#DEFINITION	Reference Metabolome for Pterocarpus macrocarpus
#IDENTTFIER	RefMeta-Pterocarpus macrocarpus.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Pterocarpus macrocarpus
#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 Pterocarpus macrocarpus 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	591.2603
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
55.05512	0.8
57.07069	0.3
67.05511	1.5
69.07063	0.7
70.81353	0.7
72.90347	0.2
73.03444	0.2
79.05499	0.8
81.07053	1.1
83.08652	0.4
91.05495	0.6
93.07050	0.8
95.08620	0.6
105.07024	0.6
107.08623	0.7
109.10166	0.9
117.07013	0.3
119.08606	0.5
121.10144	0.4
123.11735	0.3
131.08524	0.5
133.10193	0.6
141.06998	0.4
143.08614	0.6
145.10123	0.7
155.08575	0.8
157.10158	0.5
159.11681	0.4
167.08589	0.4
169.10136	1.1
171.11748	0.5
173.13260	0.3
181.10182	0.6
183.11752	1.0
185.13354	0.4
193.10158	0.4
195.11752	0.8
197.13290	0.8
199.14920	0.3
202.15816	0.2
209.13344	0.6
211.14743	0.3
221.13243	0.4
223.14886	0.5
225.16507	0.3
237.16544	0.4
241.38487	0.3
251.17944	0.4
379.26144	0.3
385.14755	0.3
388.17816	0.3
389.18256	0.3
400.17361	0.5
401.17734	0.9
402.19025	0.7
404.20984	0.4
413.17889	0.6
414.18488	1.2
415.19199	4.9
416.19971	2.3
417.20743	0.5
427.19113	0.4
428.20166	0.8
429.20950	7.8
430.21570	4.7
431.22696	2.1
433.23941	1.0
443.22903	3.2
444.23657	7.1
445.24319	4.8
446.24637	0.7
448.26315	1.0
456.19373	0.4
457.19186	1.3
458.20267	0.8
458.25140	0.9
459.21411	2.6
459.25781	3.0
460.22369	0.5
468.20480	0.3
471.21820	0.8
472.22617	2.9
473.23508	5.6
474.24460	2.7
475.25253	0.8
485.23575	1.7
486.24466	0.7
487.24960	23.4
488.25922	1.4
489.22952	2.4
490.23746	0.8
500.21832	0.5
502.23795	0.4
503.25195	2.0
515.24457	1.1
517.21924	0.6
517.40320	0.8
518.22705	0.5
531.23944	14.5
532.24707	5.0
535.41901	0.5
573.42987	0.3
576.23816	0.3
591.26044	100.0
591.44232	6.3
592.26459	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	590.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.6
55.01884	6.8
55.05515	8.4
56.96373	2.5
57.03437	4.0
57.07076	5.9
59.05006	6.2
67.05511	16.3
68.05045	2.9
69.03423	17.3
69.07077	17.6
70.02937	7.6
70.06597	100.0
70.74859	2.3
71.04986	6.3
71.55780	4.0
72.04517	13.0
72.08157	8.7
73.02925	8.8
74.02425	2.8
79.05493	8.1
81.03426	21.5
81.07050	14.2
82.06583	5.9
83.04993	7.2
83.08621	4.3
84.04494	3.8
84.08148	80.6
85.02919	23.6
85.06528	6.7
86.09708	9.1
87.00827	5.0
90.05552	30.4
91.05489	7.4
93.07067	5.3
94.06582	3.7
95.04964	23.5
95.08596	9.1
97.02901	27.2
97.06515	8.5
97.10131	2.8
98.02420	12.1
98.09721	3.2
99.04464	10.0
100.03997	5.0
100.07619	5.9
103.07573	3.2
105.01886	3.3
105.07047	11.2
107.04966	4.7
107.08593	10.6
109.02885	27.0
109.06554	3.8
109.10164	9.7
110.06049	3.1
110.07143	2.9
111.04445	4.1
111.08141	3.6
112.07620	12.2
113.06001	5.2
116.03450	15.7
116.07096	12.0
117.07042	4.6
119.04937	5.7
119.08594	5.2
120.08119	3.3
121.10153	7.3
122.06022	3.9
123.11694	3.8
124.07593	23.4
125.09679	2.7
127.03929	22.9
128.07104	6.8
131.08556	7.0
132.06613	6.3
133.10136	8.6
137.02286	3.2
137.06001	5.5
138.05530	6.1
140.07091	3.7
142.08661	13.3
145.04964	3.6
145.10130	3.2
147.04437	12.8
147.11746	5.3
148.07616	8.8
149.13208	2.9
150.07771	5.0
151.11224	4.7
155.10698	3.0
156.10204	3.9
159.11691	3.4
160.09685	7.2
163.03931	5.9
166.08723	3.7
167.14374	6.8
173.13258	6.9
174.11217	4.1
175.07500	3.1
175.14868	3.6
177.05522	4.3
184.09679	27.2
198.07651	5.8
199.06058	6.1
202.10756	65.7
207.06519	2.9
209.15439	15.2
211.09747	9.3
216.08727	4.5
217.07039	4.6
220.11801	21.3
230.10266	8.6
234.09723	10.4
262.12906	14.8
274.12769	10.4
287.14008	3.9
288.14380	12.6
303.04834	7.5
310.12961	6.7
318.11786	6.7
324.26044	5.1
325.22070	4.8
328.13885	59.1
336.13052	4.4
346.14969	17.2
364.16006	54.0
483.80124	2.8
590.19446	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	590.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
54.24160	0.3
55.01867	0.5
55.05516	1.0
57.03446	1.7
57.07080	1.8
58.39367	0.2
59.05000	0.9
61.02917	0.3
67.05514	1.2
69.03433	7.6
69.06760	0.3
69.07066	1.8
69.91254	1.1
69.91681	0.5
70.04082	100.0
70.06593	1.4
71.01315	0.4
71.05000	0.4
72.08173	0.6
73.02924	0.9
75.04517	0.3
79.05497	0.5
81.03420	2.1
81.07055	1.4
83.05009	0.6
83.08645	0.8
84.08150	1.2
85.02914	6.8
85.06544	0.4
86.09741	0.5
87.04473	2.6
88.43567	0.3
91.05492	0.8
93.07049	0.8
95.04979	0.8
95.08627	1.1
97.02903	10.5
97.06532	0.7
97.10143	0.3
99.04483	1.0
99.08102	9.6
105.07041	0.9
107.08633	1.0
109.02890	2.3
109.10176	0.7
115.03909	2.9
116.07109	0.5
117.09135	2.1
119.04953	0.4
119.08614	0.7
121.10159	0.7
123.04454	0.6
123.08060	0.3
123.11726	0.3
125.09695	0.5
127.03922	4.1
133.04951	2.0
133.10194	0.5
135.04506	0.3
137.05994	0.6
140.29181	0.3
143.08603	0.4
145.04953	2.1
145.10130	0.6
147.04469	1.7
149.13136	0.3
151.11122	0.3
152.80592	0.3
157.10257	0.4
165.09152	0.5
183.10185	3.2
195.10193	3.6
195.11790	0.3
195.48952	0.3
202.08246	6.6
202.09998	0.4
213.11206	4.0
213.15150	0.3
225.11212	2.4
227.08382	2.9
231.12299	2.2
241.08954	0.7
243.12282	1.7
261.13351	1.7
270.08572	0.4
283.27313	0.3
305.73380	0.3
414.97394	0.3
458.16818	1.6
590.21283	0.7
590.33472	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	0.3
64.39562	0.2
64.84877	0.3
65.83356	0.3
66.59522	0.3
67.05497	0.5
69.03432	0.9
70.06597	68.3
71.55664	0.4
72.08150	0.9
73.02901	0.3
81.03415	0.5
83.04959	0.3
84.08156	1.5
85.02917	0.8
86.09724	0.8
87.03413	0.3
87.04478	0.4
95.04974	2.2
97.02888	1.0
99.04457	0.5
107.04946	0.4
109.02876	0.8
109.10175	0.9
112.07590	0.3
116.07099	100.0
116.89758	0.3
117.07449	0.5
119.08521	0.3
127.03865	0.4
133.10126	0.5
141.18358	0.3
147.04437	0.5
149.09637	0.8
150.09966	0.5
153.09084	0.6
164.07121	0.4
178.05054	0.5
191.14407	0.4
192.14586	0.4
206.04469	0.9
209.15396	1.6
284.25082	0.3
310.57501	0.3
336.12909	0.4
376.92114	0.3
590.21802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30172	0.2
51.59669	0.2
54.89104	0.2
55.01887	0.3
55.05498	0.2
55.32362	0.2
61.02925	0.3
67.05502	0.5
68.27923	0.2
69.03434	0.7
69.52667	1.5
70.06596	6.7
71.04981	0.3
72.08163	0.5
81.03413	0.5
82.06583	4.5
83.04974	0.2
84.08148	100.0
85.02908	0.9
85.08483	0.8
86.09718	0.7
91.05457	0.4
94.06533	0.2
95.04972	0.5
97.02898	0.9
97.06566	0.3
98.20631	0.2
99.04485	0.3
100.07623	0.7
109.02877	0.6
109.10138	0.5
112.07598	0.3
116.07098	6.6
119.04926	0.4
124.07587	0.4
126.09129	0.5
127.03954	0.6
136.06200	3.8
136.07263	0.4
137.02440	0.3
137.05966	0.2
142.08675	0.6
144.10201	2.4
147.04420	1.7
153.01833	0.4
165.01836	0.4
173.16637	0.2
177.05507	0.5
201.05478	0.3
203.74060	0.2
229.04961	0.5
229.14326	0.3
230.15070	0.2
243.08661	0.2
257.04544	0.5
267.17535	0.2
270.13483	0.5
288.14426	10.8
303.05017	8.0
304.05194	0.2
309.10553	0.3
342.14136	0.2
590.18658	17.4
591.18719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01895	0.4
57.03448	0.5
60.83808	0.3
61.02914	0.4
62.41682	0.3
67.05507	0.6
69.03431	4.2
70.06594	24.5
70.46258	0.9
71.05017	0.4
72.08165	1.3
73.02929	0.5
79.05506	0.4
81.03421	2.4
82.06586	0.5
83.01322	0.3
83.04993	0.5
84.08157	1.5
85.02913	5.1
86.09714	1.5
87.00820	0.4
88.09319	0.3
90.05561	0.4
91.05481	0.7
95.04983	1.1
97.02907	4.3
99.04452	0.8
103.05466	0.4
105.07042	1.7
107.04963	19.9
107.08595	0.4
109.02908	1.9
109.10153	0.5
116.07100	34.7
119.04957	0.6
124.07578	0.4
127.03931	3.8
131.04979	0.7
132.04465	7.2
132.21991	0.4
133.06506	4.6
135.04411	0.4
136.06232	0.4
137.05978	0.4
145.04984	2.6
147.04425	1.0
149.05959	0.6
155.85863	0.4
159.04463	0.7
160.04005	0.4
161.05963	5.4
164.07077	0.5
171.05530	0.9
177.05473	2.8
178.05003	59.3
179.05318	0.5
182.97160	0.4
187.03897	0.6
195.06543	7.1
202.10860	0.7
205.05003	2.5
206.04495	100.0
207.04793	1.1
209.15396	0.4
229.14352	0.4
259.31036	0.3
328.13791	0.6
340.69708	0.3
349.09256	0.6
522.89240	0.4
590.14740	3.2
590.23065	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03525	1.4
53.03938	3.0
55.01854	1.3
55.05513	20.3
57.03445	12.1
57.07080	51.4
65.03951	2.1
67.05508	52.0
69.06721	1.6
69.07070	20.1
69.81992	4.8
71.04970	1.8
71.08635	35.7
71.63470	1.4
79.05501	39.5
81.07061	54.8
83.04982	3.1
83.08625	18.3
85.06516	3.0
85.09729	1.4
85.10191	19.6
89.06026	1.9
91.05489	54.5
93.07050	49.2
95.04945	4.6
95.08611	50.9
97.06536	2.6
97.10181	7.8
99.08084	4.1
103.05483	1.6
103.07568	1.4
105.04580	1.6
105.07037	61.0
107.08607	27.3
109.06520	2.7
109.10164	19.0
111.08059	2.6
111.11687	1.9
115.05457	2.5
117.07011	15.9
119.08587	54.5
121.10149	21.3
123.11703	7.2
128.06190	2.6
129.05420	1.6
129.06998	13.1
131.08586	23.1
133.09116	2.2
133.10139	44.5
135.08070	1.5
135.11697	19.8
142.07787	2.5
143.08543	10.3
144.09337	2.0
145.10129	22.7
147.11694	46.3
149.09546	2.1
149.13295	11.1
151.11180	1.5
157.10143	10.2
159.11696	15.2
161.13264	33.0
163.11165	3.8
163.14807	4.4
171.11685	16.4
173.13264	15.2
175.14816	14.1
177.12668	1.9
179.14374	2.1
185.13261	11.9
187.14813	4.9
189.12787	1.5
197.13310	1.6
199.14821	7.0
201.16364	3.0
213.16380	1.8
215.18108	1.8
217.19577	3.3
231.21063	11.5
239.23637	4.2
241.19533	48.4
257.24878	2.1
259.20593	99.9
260.20883	2.3
275.19971	1.5
277.21582	6.8
313.27368	100.0
315.23181	9.0
333.24255	50.4
333.27921	1.2
351.25333	3.1
396.27756	1.5
402.48340	1.4
497.43961	2.1
571.47424	8.5
589.48450	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	589.483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
53.82993	3.6
54.40523	3.2
55.05517	25.6
57.03434	10.1
57.07082	57.8
58.64409	3.4
63.62692	3.4
66.37152	4.3
67.05511	58.2
69.07088	20.5
70.00697	5.1
70.00982	19.1
71.08627	31.5
79.05498	33.6
81.07060	51.4
83.08621	25.6
85.10172	14.6
91.04966	6.5
91.05485	58.1
93.07037	43.2
93.52659	4.0
95.08618	36.5
97.06514	4.7
97.10164	6.9
98.20831	6.1
99.08089	5.7
105.07043	52.1
107.08601	33.2
109.10176	21.1
111.17119	3.4
117.07026	15.5
119.08593	57.5
121.10145	15.8
129.06964	6.0
131.08554	22.5
133.10138	50.3
135.11711	23.4
143.08554	10.5
145.10150	18.7
147.11691	51.1
149.13245	11.4
157.10197	7.1
159.11703	20.6
161.13263	33.7
163.11165	6.9
163.14848	4.8
171.11688	11.6
173.13242	9.3
175.14830	16.1
179.14233	4.3
185.13272	12.5
199.14734	5.8
203.09674	3.8
205.30679	4.1
231.20999	9.3
239.23805	5.3
241.19524	36.6
257.24847	5.0
259.20590	86.1
313.27386	100.0
315.23380	5.6
333.24277	47.3
400.87653	4.1
420.10995	4.5
535.80560	4.8
571.47211	13.8
589.48480	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	589.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	9.4
55.01879	10.6
55.05513	19.6
57.03432	7.9
57.07070	3.9
57.11840	1.8
59.04996	5.3
61.02917	7.3
67.05503	21.5
68.99786	6.3
69.03436	51.6
69.07073	100.0
69.59400	6.9
69.59805	3.9
70.06592	3.6
71.04993	9.9
71.50192	1.9
73.02910	6.4
79.05494	17.9
81.02983	2.8
81.03426	45.3
81.07066	37.8
82.36593	1.9
83.01335	1.9
83.04961	2.1
83.08619	6.5
84.08157	2.0
85.02910	82.8
85.06551	6.3
87.00838	28.1
87.02367	1.8
91.03973	2.5
91.05481	26.5
93.07043	31.1
95.04967	7.5
95.08056	2.3
95.08620	30.7
97.02895	32.3
97.06544	9.6
97.10168	3.9
98.20806	2.6
99.04463	19.4
99.08095	2.6
100.82421	1.8
101.02428	2.2
103.03918	1.9
103.05455	1.9
105.01885	24.4
105.07040	45.4
107.05064	2.3
107.08601	26.0
109.02892	36.1
109.06480	4.1
109.10162	19.5
111.08074	2.5
111.11723	25.3
115.03976	2.6
115.05397	1.7
117.01878	4.6
117.07021	3.2
119.04923	2.5
119.08585	24.8
121.06524	2.3
121.10159	37.2
123.08064	2.4
123.11723	9.7
125.09583	1.9
127.03928	59.9
129.01833	3.6
129.07047	2.9
129.12737	2.2
131.08568	14.1
133.10141	75.0
135.08067	3.2
135.11705	11.2
137.05983	2.3
137.09647	3.8
137.13257	3.8
139.11197	20.7
142.07811	2.3
143.08479	2.5
145.04980	15.8
145.10139	13.4
147.02892	2.4
147.04454	2.3
147.11703	15.6
149.09618	2.3
149.13275	13.3
151.11211	5.8
157.10155	9.7
157.12195	4.1
159.02902	19.6
159.11757	11.2
161.13295	5.8
163.14838	2.4
165.12842	2.6
169.34172	1.7
171.11775	3.1
173.13289	6.0
175.11176	12.4
175.14867	3.8
177.16376	2.3
185.13277	4.0
187.06004	1.8
187.14807	2.6
189.12761	1.7
189.16412	2.8
195.17302	1.8
199.14836	3.9
211.16862	2.0
213.03931	4.0
213.16455	2.1
229.19521	3.4
231.05048	11.2
257.22632	2.1
269.22876	3.2
275.23807	9.7
287.23685	10.0
293.24780	6.1
305.24728	18.2
323.25824	25.0
341.26901	23.6
549.95789	1.8
570.65381	1.9
584.67120	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03822	2.3
53.03946	7.7
55.01863	4.9
55.05522	23.8
57.03445	12.7
57.07066	2.9
59.04995	2.7
60.47631	2.1
61.02931	4.5
61.59031	2.3
65.03936	3.6
67.05506	24.2
69.03439	20.8
69.07079	24.9
70.06603	10.6
70.28596	8.8
71.01313	2.9
71.04662	1.8
71.05000	50.0
72.08162	6.7
73.02908	2.1
75.04478	3.5
79.05498	16.1
81.03432	18.2
81.07069	50.4
82.06584	2.9
83.04999	12.0
83.08620	11.0
83.41832	2.7
84.04489	3.0
84.08150	4.1
85.02914	100.0
85.06559	3.5
87.00832	6.0
87.04488	3.2
91.05485	21.7
93.07050	28.9
95.04993	14.8
95.08614	58.6
97.02903	38.7
97.06538	4.6
97.10178	44.3
98.03238	3.2
98.06139	2.4
99.04465	7.9
99.08109	3.6
103.03888	2.1
103.05502	2.5
105.01850	4.1
105.07054	28.4
106.02918	2.0
107.04988	3.9
107.08611	36.7
109.02903	13.9
109.06486	7.5
109.10168	34.8
111.04456	8.3
111.08070	7.7
114.44823	2.6
117.03419	2.7
117.07047	5.0
119.04961	4.7
119.08604	29.5
120.08134	3.3
121.06538	5.5
121.10155	31.5
123.08106	3.8
123.11692	12.6
124.03967	3.2
125.06028	4.6
125.09634	10.4
127.03944	15.3
128.06235	3.8
128.07082	5.0
129.05513	20.8
129.07019	4.2
131.08607	15.6
133.06546	3.5
133.10146	29.7
135.04449	6.3
135.08109	5.6
135.11694	24.3
136.07571	4.3
137.06010	6.7
137.09599	6.6
137.13263	9.8
138.03206	2.5
139.11206	5.4
143.08589	5.6
143.10675	12.4
145.02902	3.0
145.10132	17.3
147.04451	11.2
147.06557	7.8
147.08000	3.6
147.11708	22.8
149.05994	4.1
149.09653	5.5
149.13258	14.3
151.07588	3.3
151.14738	3.2
153.05528	20.6
157.10187	9.5
159.04410	2.7
159.08049	3.4
159.11694	22.4
161.05991	3.6
161.09622	4.2
161.13289	15.4
163.03926	16.7
163.11230	4.1
163.14790	3.7
164.06964	2.7
167.07079	3.3
169.10088	3.6
170.10896	2.6
171.11711	5.9
173.13260	9.9
175.14845	10.6
177.05519	6.2
177.16400	9.8
181.10133	2.9
182.90742	2.5
183.11726	4.2
185.13280	6.0
187.07559	3.0
187.11307	2.9
187.14845	10.0
189.09116	3.0
189.11299	5.8
189.16412	18.8
191.17996	24.9
193.12206	2.7
197.13234	4.4
199.14827	5.5
201.16389	15.1
203.14337	2.4
203.17999	16.2
204.06551	3.4
205.19548	5.0
207.06627	5.1
209.13306	3.2
211.14908	3.8
213.16425	3.2
215.10606	2.7
215.17978	19.3
217.19594	6.6
219.17421	3.4
225.16426	3.5
229.15933	2.4
231.21275	3.0
233.09839	2.9
233.19025	4.6
255.21040	4.3
257.22742	3.6
267.21228	2.8
283.06039	3.9
285.22018	4.3
303.23181	11.3
318.03613	3.3
321.24158	13.1
339.12555	6.6
339.25330	7.7
405.35138	28.7
423.36188	30.6
468.81985	2.4
481.51633	2.6
487.12711	2.8
495.16519	6.5
533.39612	3.6
551.41083	6.3
569.42145	3.7
587.30646	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	588.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01865	0.4
60.04522	0.4
62.18494	0.3
62.72735	0.3
67.05529	0.4
68.05002	0.4
69.03441	2.2
69.07064	3.5
70.06596	5.6
71.54543	0.6
72.08174	1.9
77.87092	0.3
81.03400	0.6
84.04523	0.4
84.08156	1.9
85.02908	2.2
86.09690	1.1
91.05497	0.9
95.04987	0.9
95.08631	0.4
97.02900	26.2
97.06538	0.5
100.07598	0.4
101.15208	0.3
101.93668	0.3
105.07097	0.5
107.04942	0.7
107.08583	0.7
109.02882	1.4
109.16783	0.4
110.07162	0.4
112.07602	1.3
114.05521	1.3
115.03929	1.5
116.07113	1.0
118.60197	0.3
119.04973	0.5
119.08541	0.4
127.03925	100.0
128.04239	0.8
128.07104	0.6
129.10187	0.3
133.10147	0.5
136.07597	0.5
137.05981	1.0
139.04097	0.3
140.07069	2.9
144.37579	0.4
145.02840	0.6
145.04961	0.8
145.95238	0.3
147.04437	1.8
168.06573	7.4
177.05516	1.0
182.08229	0.6
208.14534	0.4
264.08789	0.8
282.09708	2.0
289.09210	2.3
300.10876	0.8
362.14410	0.4
434.16400	0.6
481.33978	0.4
502.60617	0.4
588.23212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75438	2.8
53.03946	11.6
55.01876	19.8
57.03426	11.0
57.07102	3.2
57.64399	2.8
61.02919	8.8
67.05513	14.7
68.99789	9.0
69.03432	51.3
69.07058	9.0
69.38640	3.6
69.73787	19.5
69.94857	2.9
70.06591	19.1
71.04986	9.5
72.08152	8.7
73.02913	9.0
74.54469	2.8
79.05480	16.8
81.03422	46.1
81.07072	21.9
84.08138	3.8
85.02908	96.8
85.06551	3.6
87.00838	42.3
87.04462	3.8
87.85271	3.3
91.05495	24.4
93.07055	19.3
95.04978	13.7
95.08626	17.3
97.02901	57.3
97.06551	3.5
98.20721	4.2
99.04448	18.4
103.03959	6.2
103.05473	8.1
105.01871	18.1
105.07049	21.9
107.04955	16.6
107.08609	13.1
109.02883	43.3
109.06478	6.0
109.10149	11.6
111.04440	5.3
115.03932	12.5
115.05448	9.7
116.06285	4.2
116.07072	3.5
117.01860	8.5
117.06937	7.2
118.04169	4.2
119.04945	5.4
119.08589	10.3
121.06559	5.4
121.10124	6.8
122.03636	4.1
123.04395	4.4
124.05212	6.0
124.90623	3.2
125.02349	3.2
127.03923	67.5
128.06242	9.9
129.01848	5.6
129.07022	28.5
131.04919	10.6
131.08560	7.0
132.05669	8.3
133.06508	16.2
133.10120	9.1
135.04416	4.8
135.11696	8.8
136.07655	3.4
137.05984	82.3
138.05469	3.6
141.06992	16.1
143.08598	3.8
144.05688	5.1
145.04951	15.0
145.06491	9.2
147.04420	13.0
147.08076	10.1
147.11673	5.8
149.05974	4.6
149.13312	5.0
151.03972	4.8
153.05420	7.2
155.04961	7.4
157.06456	7.2
158.07245	3.0
159.02917	25.5
159.08064	13.7
159.11732	5.0
160.05202	5.6
161.05963	31.4
161.09592	3.8
161.13170	3.8
163.03822	4.2
165.06963	3.0
167.04984	4.3
167.07054	96.6
169.06505	23.3
169.65771	3.0
171.08073	3.7
173.06035	4.7
174.06787	5.3
175.07570	50.9
177.05437	5.3
179.07108	4.9
181.04955	14.2
181.06467	7.4
181.08566	17.8
183.08113	4.3
184.05295	3.8
185.05986	6.7
186.06731	3.6
187.07550	59.2
189.05452	8.4
189.07008	5.9
189.09143	7.6
190.07764	5.3
191.07007	15.9
191.08604	9.5
195.08052	6.6
197.06033	7.3
199.07515	27.5
201.09061	11.2
202.07799	7.2
203.08589	13.8
203.52786	2.9
205.06639	5.7
205.08623	8.4
206.07315	10.8
207.06363	5.1
207.08095	3.8
211.07487	4.7
213.03941	5.0
213.09155	5.2
213.16275	4.3
215.06943	5.6
217.06555	5.5
218.07332	7.5
219.08113	23.9
220.08875	12.0
221.09651	12.0
229.08571	36.5
231.04921	7.6
231.08186	18.2
232.08859	4.0
233.09763	7.8
234.06798	12.6
235.07504	11.5
237.09135	3.9
241.08597	10.8
244.08865	10.5
245.05995	5.4
245.09599	13.9
247.07587	13.9
248.08304	12.5
249.09148	23.1
251.07036	7.5
251.10687	11.4
253.08656	4.6
258.06937	5.1
259.07520	9.1
260.08334	6.9
261.09164	9.3
262.06302	3.7
263.06992	7.8
263.10748	9.7
264.07971	4.8
265.08588	11.1
266.09363	7.7
272.08298	10.7
273.09052	19.2
275.07016	10.8
275.10687	3.3
276.07767	10.1
277.08557	16.2
278.09421	3.9
279.10156	9.9
280.11102	3.8
281.08594	6.0
281.11749	29.6
288.07831	4.3
289.08490	14.0
290.09354	11.6
291.06808	4.8
291.10056	25.3
292.10977	5.4
293.08041	4.8
294.08759	9.1
295.09720	6.4
301.08652	9.8
302.09460	6.2
303.06641	4.6
303.10132	9.5
305.08151	4.2
305.11661	8.6
305.24710	4.3
306.08902	4.8
307.09741	7.1
309.11267	35.1
310.12195	5.2
311.09470	5.2
311.12799	20.9
315.10132	6.7
315.13525	5.2
317.11755	4.8
318.08963	9.7
319.09558	10.8
320.10260	3.9
321.11194	12.2
323.09363	4.2
323.12714	22.0
326.11624	4.5
327.12534	5.5
331.09723	9.3
332.10150	3.7
333.11258	29.1
338.11493	5.7
339.12308	12.1
340.13058	4.9
341.13867	100.0
345.11108	7.0
350.11481	7.7
351.12234	42.5
353.13824	33.8
355.15485	3.9
357.11060	5.5
363.12222	22.2
365.13867	40.8
367.15387	3.8
371.12827	6.3
375.12119	7.9
377.14008	10.0
383.14856	34.3
389.13748	7.8
395.14667	6.8
399.12125	9.4
407.15021	6.7
413.13528	3.8
431.15094	19.6
449.16031	12.4
535.15802	3.7
553.16779	5.5
571.17877	6.2
589.18817	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	587.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29302	3.1
52.26239	2.9
52.60196	2.4
53.03953	4.6
55.01870	5.5
55.05515	14.4
57.03440	15.2
59.04970	2.9
67.05505	16.1
69.03442	16.7
69.07072	16.4
69.57119	2.6
70.06593	5.1
71.04607	3.1
71.04996	62.2
71.55170	3.1
71.55572	3.2
72.08148	3.8
73.02913	5.3
75.04485	4.1
79.05488	17.0
81.03431	7.5
81.07059	42.4
82.48931	2.6
83.04981	9.8
83.08634	9.4
84.08127	6.4
85.02909	100.0
85.06548	6.1
87.04464	2.9
89.77052	2.4
91.05485	15.5
93.07052	24.5
95.04980	11.7
95.08610	55.4
97.02896	10.2
97.06550	4.9
97.10177	8.4
99.04460	5.4
105.07028	31.3
106.72469	2.8
107.08598	36.0
109.02868	8.8
109.06547	7.0
109.10153	32.6
111.04444	8.7
111.08102	4.3
117.06957	3.2
119.04945	3.7
119.08581	39.9
121.10142	32.7
123.04443	4.4
123.08051	4.4
123.11738	10.6
125.06013	5.2
125.09711	3.9
127.03915	7.2
128.06232	2.8
128.07114	7.8
129.05495	29.0
129.07007	2.8
131.08569	14.1
133.06499	3.0
133.10147	28.1
135.04428	2.7
135.08063	5.5
135.11687	27.0
136.07582	3.1
137.09746	3.1
137.13252	14.6
143.08609	5.5
145.02887	3.2
145.05013	3.6
145.10146	16.5
147.04439	4.2
147.06502	7.7
147.08070	3.2
147.11696	18.4
149.09651	3.3
149.13225	13.8
153.05423	3.7
157.10161	10.8
159.11681	23.2
161.06058	4.7
161.13264	11.8
163.03923	5.2
163.14810	4.6
165.34935	2.7
169.10066	3.3
171.11745	7.6
173.13307	9.1
175.14844	10.4
177.05473	4.3
177.16405	11.3
181.08568	2.8
183.11713	3.4
185.13286	8.3
187.14862	13.3
189.16402	20.1
191.17923	34.5
197.13188	4.6
199.14856	7.2
201.16394	10.7
203.17992	14.4
205.10753	3.1
205.19524	4.8
207.06502	3.0
211.14952	4.6
215.17917	23.8
217.19476	6.4
219.17490	6.5
227.17949	4.1
229.19487	5.4
233.18979	8.2
241.19568	3.9
245.18770	4.1
255.20988	2.9
257.18991	3.3
267.21252	3.0
283.09714	5.2
285.22067	3.5
320.47678	2.8
321.24463	4.4
339.25467	3.6
367.58817	3.0
405.35220	28.1
407.37009	6.0
423.36270	37.3
441.37082	5.0
486.32837	3.3
515.38684	4.8
533.39630	5.6
551.40771	7.5
569.41711	8.0
587.30884	21.1
587.42981	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	587.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.05517	12.4
56.68178	2.0
57.03438	16.0
57.07081	4.0
59.04986	3.6
61.02914	4.2
61.53807	2.1
65.03939	2.4
67.05505	19.4
69.03437	11.3
69.07068	18.1
69.62781	4.7
69.63180	11.0
70.06582	4.7
71.04597	3.8
71.04993	65.0
72.08150	3.0
73.02912	3.3
75.04472	7.8
77.62376	2.2
79.05495	13.6
81.03403	7.1
81.07058	42.7
83.04987	14.6
83.08601	6.8
84.08122	2.0
85.02906	100.0
85.06521	3.8
87.04491	4.7
89.15286	1.9
91.05476	13.4
93.07061	26.4
95.04963	10.6
95.08611	60.6
97.02883	8.2
97.06526	6.6
97.10155	5.3
98.21598	2.2
99.04469	4.1
99.08054	2.3
105.01891	2.2
105.07030	25.4
107.08598	33.3
109.02876	4.7
109.06506	5.7
109.10157	35.2
111.04441	9.0
111.08080	3.8
111.11709	2.5
117.06950	3.6
119.08585	26.5
121.06533	2.9
121.10147	31.8
123.08079	2.5
123.11703	15.6
125.05989	2.5
125.09631	2.7
127.03912	7.8
128.73643	2.0
129.05489	26.1
129.06956	2.7
131.08565	8.7
133.10143	24.1
135.04460	2.7
135.08060	2.2
135.11691	24.4
137.05981	4.2
137.09653	4.0
137.13298	11.6
143.08546	5.7
145.06548	2.0
145.10152	19.3
147.04405	6.4
147.06491	7.9
147.11711	22.3
149.09572	2.2
149.13235	11.7
151.11140	2.0
151.14751	2.5
153.05489	9.6
155.08609	2.4
157.10103	9.9
159.11694	19.5
161.13254	13.6
163.03871	4.6
163.11143	3.4
163.14822	5.4
165.12680	2.6
169.10100	2.4
171.04500	2.4
171.11670	8.1
173.13321	11.6
175.03975	2.3
175.07471	2.3
175.11140	2.3
175.14880	10.0
177.05435	2.2
177.16373	11.1
183.11763	5.1
185.13225	9.3
187.14813	7.1
189.16399	14.4
191.17967	28.7
197.13196	2.5
199.14844	8.9
201.16409	14.6
203.17955	13.5
205.19501	7.0
211.14769	2.8
213.16351	4.1
215.17964	16.8
217.15926	2.2
217.19444	4.5
219.17490	6.6
223.14676	2.9
225.16396	3.4
227.17957	3.7
229.19495	3.9
233.19052	5.0
239.18047	2.5
241.19585	3.7
243.20831	2.0
245.19141	2.6
255.21075	3.3
267.21082	3.7
296.84198	2.4
303.23169	4.0
321.24203	4.2
405.35126	34.0
407.36664	7.4
423.36234	36.3
441.37524	2.5
533.39526	5.0
541.26416	2.8
551.40698	5.7
569.29590	2.2
569.41815	8.5
587.30957	5.1
587.42804	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	586.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.1
55.05508	2.7
57.07079	76.1
58.13912	0.8
59.05005	15.8
67.05495	1.7
68.60093	0.7
69.07066	3.4
71.08636	70.7
71.33345	0.7
71.56551	1.0
73.06557	3.4
79.05500	1.8
81.07062	2.3
83.08617	3.0
85.10188	67.0
87.04475	10.5
89.06038	100.0
91.05483	2.6
91.07609	1.3
93.04068	0.7
93.07042	2.0
95.08632	1.2
99.11729	5.6
100.63004	0.8
101.68940	0.8
103.07595	5.9
105.07027	3.6
107.07085	1.8
107.08594	3.1
109.06509	1.3
109.10150	1.5
117.09130	2.8
119.08587	2.8
120.08939	1.7
121.10148	2.5
130.08664	2.0
131.07068	4.1
131.08565	1.1
133.08614	78.3
134.10510	0.9
135.11722	0.9
141.16397	7.4
143.08540	0.9
143.90955	0.9
145.10133	2.0
157.10149	1.1
159.11772	1.0
160.12106	1.3
169.10051	1.0
171.11720	0.8
173.13225	0.9
175.09705	3.6
177.11238	32.8
199.20647	8.2
207.92938	0.7
219.12375	1.1
221.13777	6.3
239.14841	1.9
243.23169	3.9
265.16330	1.5
267.18176	0.8
280.34888	0.9
283.17630	3.2
327.20074	2.6
353.21753	1.6
371.22800	18.5
372.06970	1.0
411.25995	1.8
474.64890	1.2
569.42761	3.1
586.44501	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	587.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.5
55.21832	2.1
57.03435	3.8
57.07078	100.0
58.04215	9.7
59.05003	37.8
67.05508	15.0
68.29909	2.1
69.07066	6.1
71.01733	4.8
71.04987	3.0
71.08632	88.4
72.05779	20.8
73.02909	8.6
73.06557	21.8
79.05482	5.6
81.07067	12.0
82.07839	3.3
82.61165	2.5
83.08607	6.1
85.10184	82.8
86.07349	3.4
87.04466	33.3
88.05251	5.0
89.06031	39.4
90.01390	4.8
90.01920	54.0
91.05467	5.2
93.07048	4.6
95.08603	9.6
96.09358	3.6
97.10175	6.8
99.11757	5.9
101.06004	3.7
102.06824	3.8
103.07594	20.7
105.07021	5.2
107.08598	4.9
109.10155	7.9
116.08347	7.2
117.09149	16.7
124.83418	2.3
131.07054	4.7
131.08560	2.2
133.08597	19.4
133.10124	3.4
135.10159	3.0
138.14017	5.3
141.16380	4.6
143.08572	2.4
145.10135	2.6
146.70575	2.5
147.10144	3.7
149.09651	2.9
149.11749	2.7
161.11775	5.4
169.15863	5.9
175.09673	2.5
177.11220	6.9
178.07098	9.4
179.12759	3.5
180.12346	5.1
198.19823	5.6
199.20621	9.2
205.74088	2.5
208.15489	5.1
209.13876	4.1
221.13701	3.2
222.09697	11.9
222.17116	2.8
223.15503	2.5
233.66539	2.3
252.18028	6.0
256.57129	2.3
266.12204	5.5
266.19644	6.3
267.18011	4.7
282.19244	4.2
283.17291	2.3
285.17850	2.9
292.20374	2.3
296.20758	6.1
312.20096	3.5
326.81436	2.4
348.31076	6.9
372.18445	5.8
392.33890	3.5
436.36417	21.5
489.35452	4.5
496.38373	5.3
508.40323	2.8
569.38513	2.8
587.40704	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	586.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.2
55.05511	10.5
57.07073	7.7
61.02875	3.9
67.05505	15.9
69.03429	20.4
69.07072	41.3
69.80872	7.7
69.81229	20.5
70.76998	3.5
71.05018	5.6
79.05492	57.2
81.03419	11.7
81.07062	58.7
83.08641	18.5
85.02912	47.0
87.00043	4.1
87.00831	24.5
91.05480	26.3
93.07051	19.0
95.08617	41.0
96.04491	19.0
97.02881	22.0
97.06546	15.0
97.10164	7.4
98.21423	5.7
103.66063	3.9
103.94845	3.9
105.01866	61.6
105.07042	39.3
107.04954	12.8
107.08578	18.9
109.02884	20.1
109.06577	5.1
109.10163	20.0
110.54050	3.7
111.11698	5.0
112.07813	4.3
117.07056	5.5
119.08603	25.0
121.10148	15.4
123.11700	9.7
125.05996	100.0
125.13293	8.8
127.03899	40.8
131.08582	12.7
133.10103	32.5
137.06023	11.7
145.04974	15.3
145.10149	12.6
147.07994	6.7
147.11687	22.2
151.14827	6.1
153.05482	38.8
157.10069	4.4
159.11716	10.5
161.09631	73.6
161.13286	7.2
173.13245	5.6
175.11166	42.7
175.14754	10.1
177.16417	4.9
179.10678	29.5
187.14836	7.9
189.12831	5.2
193.12225	22.3
199.62064	4.9
201.16394	8.5
203.14345	15.2
213.03931	6.7
219.13797	6.2
221.15370	14.7
230.24733	6.3
231.05081	21.3
233.15343	6.1
245.20251	3.6
249.06075	13.3
250.97606	4.0
257.22687	22.3
267.21066	11.5
283.48947	4.3
285.22180	89.6
303.23236	16.9
451.19241	9.6
533.27625	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22086	4.6
53.03941	13.9
55.05495	14.4
57.03427	7.8
57.07064	4.5
57.21658	4.7
59.04998	4.7
60.09600	5.2
61.02911	9.9
65.03905	5.1
67.05501	16.5
69.03440	34.2
69.07071	33.5
70.06577	7.4
71.04986	10.3
71.56027	7.8
73.02908	5.7
79.05495	42.2
80.16507	4.6
81.03438	34.4
81.07062	49.2
81.50660	5.4
83.08611	13.8
84.08115	4.3
85.02912	92.3
87.00837	32.5
89.06039	5.5
91.05508	22.0
93.07057	25.9
95.08619	32.6
97.02903	56.3
97.06535	15.3
97.10160	9.8
99.04437	13.2
105.01875	38.6
105.07049	41.4
105.22533	4.2
107.04917	11.1
107.08591	28.8
109.02888	48.3
109.10159	22.6
111.04431	5.4
119.08575	25.9
121.10133	7.6
123.11729	11.1
124.19897	4.5
125.06007	64.7
125.13214	5.5
127.03923	67.7
128.06194	5.3
131.08572	12.9
133.06519	6.1
133.10124	27.0
135.11655	6.8
137.05995	9.9
145.04964	26.5
145.10126	28.0
147.08072	8.5
147.11734	25.0
149.13260	8.7
151.14835	6.0
153.05473	16.0
153.12767	7.1
157.10092	4.9
159.02901	15.4
159.08067	6.4
159.11699	13.8
161.09642	51.5
161.13245	13.8
163.05121	4.8
173.13235	12.0
175.11182	30.0
175.14775	17.6
179.10663	19.7
187.14848	6.5
189.12750	9.4
189.16344	5.8
191.10670	8.5
193.12256	7.0
201.16380	11.2
203.14339	41.9
213.04004	6.6
215.14180	5.7
219.13789	7.3
221.15367	15.7
222.27037	5.2
231.04996	15.8
257.22656	16.1
263.29147	4.9
267.20941	13.2
285.22165	100.0
298.00476	4.8
303.23221	20.1
390.66266	4.7
393.24265	6.5
451.19467	14.7
479.02316	4.7
502.02509	5.6
533.27350	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	585.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.5
57.03438	4.9
57.07082	100.0
57.72929	1.9
58.04223	4.6
59.05008	41.8
67.05492	8.5
69.03426	2.3
69.07083	9.2
71.08639	66.0
71.48266	3.1
72.05775	3.9
73.02883	2.3
73.06556	3.5
79.05489	4.1
81.07069	9.7
83.08639	5.0
84.08141	1.9
85.10194	57.9
86.07322	2.4
87.04447	4.0
87.08109	2.7
89.06051	10.0
90.01928	16.8
91.05490	6.6
93.07057	7.0
95.04939	3.0
95.08598	6.8
97.10181	5.9
99.08133	2.0
99.11731	11.9
100.94476	1.8
101.09676	3.9
103.07535	2.2
105.07043	10.8
107.08603	4.4
109.06535	3.1
109.10181	5.2
113.13261	5.1
116.08396	2.4
117.09153	14.0
119.08595	12.2
120.08863	1.9
121.10148	6.4
123.08003	2.5
130.08627	3.1
131.08528	3.1
133.08641	3.8
133.10136	6.7
143.08583	3.0
145.10065	6.4
146.10510	2.4
147.08052	2.4
147.11708	3.3
155.17967	7.4
157.10132	6.4
158.10529	3.0
159.11690	3.5
160.08904	3.1
169.10127	3.3
171.11748	2.9
177.42345	2.6
195.11604	2.0
197.13269	2.5
207.13799	2.0
209.13248	2.4
213.22127	10.1
221.15419	4.2
222.09770	7.1
240.10693	4.0
251.18192	2.4
271.26416	9.5
365.24152	2.1
434.38309	3.0
493.35837	2.5
505.36234	3.3
585.42249	11.7
585.56732	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	585.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	24.4
57.07069	11.6
59.05000	7.8
66.32360	6.3
67.05512	57.7
69.03423	9.0
69.07052	20.3
69.78888	33.8
71.05002	8.2
79.05486	41.3
79.31371	5.8
80.61702	5.6
81.07065	60.4
83.08615	18.2
84.59013	5.3
91.05066	5.5
91.05493	55.9
93.07053	71.6
95.04961	22.4
95.08607	57.8
97.06516	10.9
97.10165	6.2
98.21478	13.0
105.07034	97.0
107.08604	78.4
109.06543	16.9
109.10168	54.6
111.08098	10.2
117.07001	23.6
119.08588	95.4
121.06484	7.7
121.10152	100.0
123.08047	12.8
123.11708	25.9
125.09644	7.9
128.06244	7.7
129.06973	17.8
130.07825	10.6
131.08577	48.8
133.10135	74.4
135.08057	28.2
135.11710	55.4
137.09622	24.4
141.06955	9.3
142.07785	19.1
143.08565	32.8
145.10132	84.8
147.11719	38.0
149.09566	11.2
149.13188	7.9
151.11185	9.5
155.08580	16.7
156.09361	8.5
157.10126	49.0
159.11710	36.4
161.09538	10.0
161.13268	10.2
163.11292	9.0
165.06888	8.1
167.08598	10.1
169.10121	21.7
170.10970	9.5
171.11674	31.1
173.09560	9.5
173.13237	35.9
175.14825	40.7
181.10072	8.0
183.11697	25.4
185.13217	24.7
187.14818	27.3
189.12697	8.6
193.10234	12.6
194.10928	8.4
195.11670	7.3
197.13179	26.3
199.14824	26.8
201.16299	16.4
207.11714	10.7
209.11324	8.0
209.13290	21.8
211.14748	19.2
213.16341	15.7
221.13255	14.2
223.14786	14.5
225.16310	7.2
235.14745	9.2
239.17952	9.9
249.16353	6.8
257.19101	10.9
265.19577	10.7
267.20813	6.4
283.20718	11.5
285.21997	9.2
331.56342	7.1
367.26022	7.5
428.92682	6.3
429.31433	10.4
442.67810	5.9
549.40277	7.8
567.41461	27.3
585.42047	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	585.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50768	2.3
53.03942	6.4
55.01870	5.0
55.05309	2.6
55.05521	27.0
65.03945	2.5
67.05177	3.7
67.05513	52.8
69.03428	3.1
69.07076	19.0
71.04990	3.9
72.08160	2.9
79.05504	41.1
81.03416	3.9
81.07063	51.7
83.05003	6.1
83.08625	12.0
85.06536	2.7
91.05485	55.3
93.07051	41.7
95.04974	9.1
95.08623	31.0
97.06561	6.4
97.10162	8.3
105.07041	59.5
107.04968	5.6
107.08590	23.4
109.06541	12.1
109.10162	17.6
111.08071	3.4
111.18764	2.8
117.07015	17.4
119.08590	45.9
121.06514	5.9
121.10194	14.6
123.08075	5.6
123.11674	2.8
125.09641	5.8
127.04048	2.9
128.06271	4.1
129.07002	10.3
131.08592	23.9
133.10146	48.6
135.08116	5.6
135.11722	12.1
137.09677	6.2
137.13243	2.8
142.07797	3.5
143.08543	7.8
145.10110	19.4
147.08067	4.1
147.11732	16.7
149.09644	4.2
149.13304	4.2
151.11182	3.0
155.08534	5.4
157.10127	10.9
159.11723	17.2
161.13287	6.5
163.11151	3.2
164.94833	2.7
165.12756	3.7
169.10110	4.5
171.11678	7.2
173.13258	7.2
178.25233	2.6
183.11734	4.9
185.13153	3.4
189.11205	5.4
193.04984	2.7
197.13266	3.7
207.52051	2.7
211.14656	3.4
239.18027	3.5
248.04851	2.7
257.19037	6.8
275.20096	100.0
277.21530	4.4
289.05417	3.5
293.21295	7.2
329.24591	3.3
448.00586	2.7
549.38947	3.5
567.40479	8.2
585.41400	13.9
610.91974	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	585.432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92098	1.8
52.28790	1.7
55.05505	6.7
57.03432	4.0
57.07080	100.0
58.04212	2.7
59.05006	43.9
59.94339	1.8
67.05515	7.4
68.06278	2.1
69.03416	3.1
69.07074	8.9
69.11125	1.5
69.88504	7.4
69.88927	3.2
70.06577	1.8
71.08636	69.0
72.05777	3.5
72.15067	1.9
73.02896	1.9
73.06584	2.0
73.74069	1.8
79.05499	6.5
81.07062	10.8
83.08620	3.3
85.10187	61.0
86.07346	3.1
87.04468	6.9
88.07643	2.0
88.48931	1.8
89.06033	7.4
90.01919	18.2
91.05470	6.6
93.07059	9.7
94.07377	2.5
95.04974	2.8
95.08611	7.7
97.06478	1.8
97.10165	6.8
98.21461	2.3
99.11744	11.6
101.09650	4.2
105.07041	8.5
105.70422	2.0
107.08583	8.3
108.08997	1.8
109.06534	2.7
109.10160	5.9
111.11707	2.2
112.65543	1.7
113.13309	4.0
117.07062	3.6
117.09148	14.2
119.08574	11.1
121.06498	1.8
121.10133	7.2
123.08068	4.4
125.09687	2.0
129.07013	2.3
130.08662	3.0
131.08577	7.6
133.08627	4.8
133.10150	4.9
135.11699	2.5
142.07729	3.0
143.08574	5.3
145.10129	6.3
145.29097	1.9
147.11687	2.8
151.07516	4.5
155.17938	7.6
157.10144	5.0
159.11722	5.6
160.08855	6.2
161.09283	2.2
169.10071	2.3
171.11703	3.2
175.14912	2.8
183.11635	2.2
187.14755	2.1
193.14427	3.4
195.11705	2.2
197.13290	4.4
212.21429	2.0
212.36601	1.8
213.22142	10.4
222.09726	4.2
240.11058	2.4
271.26254	10.3
280.21103	2.0
312.30026	2.8
321.27890	2.2
434.38220	5.1
493.35950	3.7
504.36636	2.0
505.36105	3.0
585.42041	10.0
585.56293	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	585.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03947	0.5
55.01859	0.7
55.05479	0.2
55.81369	0.2
57.03428	0.3
59.49925	0.2
61.02910	0.4
65.03944	1.2
67.05503	0.9
68.99783	0.8
69.03432	0.6
69.07056	0.4
70.06590	0.4
71.04988	0.3
72.08153	0.5
79.05496	2.3
81.03420	1.0
81.07062	0.9
82.04180	0.6
83.05021	0.3
85.02906	2.5
85.06525	0.4
87.00809	0.7
91.04966	0.3
91.05489	5.0
93.03423	0.3
93.07034	0.6
95.04969	1.0
95.08609	0.7
96.04528	0.2
97.02884	0.7
97.06555	0.3
98.20772	0.4
103.03940	0.8
103.05431	0.4
105.01878	0.3
105.07035	1.6
107.04938	1.3
107.08599	0.3
109.02867	0.6
109.06522	0.7
109.10159	0.5
110.03689	1.5
111.04432	0.2
115.05462	0.7
117.07045	1.0
118.04148	0.2
119.04948	7.3
119.05785	0.4
119.08607	1.4
121.02895	0.4
121.06489	0.3
121.10110	0.2
123.04409	0.5
123.08073	0.2
124.07455	0.2
125.06001	1.9
127.03933	0.4
128.06244	0.7
129.01831	0.8
129.07025	1.5
130.07797	0.3
131.08543	1.0
133.02821	0.5
133.06470	1.0
133.10124	0.4
135.04349	0.3
135.08163	0.2
135.11656	0.2
137.05873	0.2
138.03127	10.2
139.11243	0.2
141.07034	1.0
142.07759	1.6
143.08557	2.2
144.05702	0.2
145.06459	1.1
145.10114	0.8
147.04420	13.3
147.08040	0.5
147.11678	0.2
151.03969	0.3
152.06184	0.3
153.05472	100.0
154.05836	0.7
154.07794	0.5
155.08545	2.0
156.09366	1.2
157.06488	0.6
157.10139	1.7
158.07292	0.2
159.04350	0.2
159.08054	0.7
161.05956	0.7
161.09718	0.3
165.06998	1.5
165.09163	0.3
166.07736	1.5
167.07179	0.4
167.08549	0.8
169.06488	0.5
169.10194	0.6
170.07277	0.6
171.08057	1.2
171.11708	0.8
172.08800	0.3
173.05989	0.5
173.09627	0.7
178.07704	0.3
179.07059	11.1
179.08549	0.7
180.09373	0.5
181.06471	0.3
181.10120	1.3
182.07303	0.3
183.08066	2.4
184.08881	1.0
185.05992	0.5
185.09599	1.8
186.06845	0.3
187.07562	0.9
189.04013	0.5
189.09119	0.8
191.07079	0.2
194.07260	0.4
195.08052	1.8
195.11749	0.4
196.08969	0.2
197.06001	0.7
197.09695	0.6
198.06783	1.5
198.10475	0.3
199.07538	1.0
199.11172	2.7
200.08226	0.3
201.09125	4.8
205.10243	0.2
208.08858	1.0
209.09605	2.2
211.07582	0.9
211.11180	0.2
212.08299	1.7
213.09114	9.6
215.07066	0.2
215.10661	1.0
219.08147	0.3
223.07622	0.3
223.11259	0.6
225.09068	0.6
226.06128	0.2
226.09946	0.5
227.07100	0.4
227.10652	5.8
229.08548	0.3
231.10114	0.4
233.09615	0.3
236.08322	0.2
237.09068	3.2
238.09911	0.3
239.10782	0.7
240.07813	0.5
241.08694	0.4
241.12216	1.1
243.10258	0.5
249.09003	0.2
251.06947	0.2
251.10709	1.1
253.08742	0.4
253.12241	0.2
255.10178	19.6
269.11743	2.2
275.20056	0.3
279.10220	1.4
281.11826	0.6
285.11401	0.2
297.11234	5.0
311.12823	0.5
315.12350	0.7
333.13269	0.2
367.15448	2.1
375.14529	0.3
379.15393	7.1
383.11349	0.5
391.15802	0.5
401.12366	2.1
419.13409	2.9
421.16458	15.8
422.17047	0.2
445.16299	1.1
463.17670	3.2
481.18655	0.5
485.14758	0.2
499.19791	0.6
523.20093	0.3
541.20386	0.2
549.17578	0.8
567.18573	2.6
585.19708	6.2
585.29248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01875	0.8
55.05511	0.7
61.02940	0.7
61.75376	0.4
65.03938	1.0
67.05493	1.4
68.99754	0.7
69.03424	0.7
69.07063	1.1
69.21627	1.0
69.22047	2.6
70.06583	0.7
71.04993	0.5
71.38725	0.3
72.08147	0.9
79.05489	2.6
81.03409	1.3
81.07066	1.8
82.04219	0.6
83.04977	0.4
83.08620	0.6
84.08144	0.5
85.02908	2.4
85.06538	0.5
87.00826	0.6
91.05488	4.9
93.03417	0.7
93.07034	1.4
94.07408	0.3
95.04969	1.3
95.08615	1.8
97.02895	1.2
97.06489	0.5
98.21597	0.4
99.01573	0.3
103.03969	0.6
103.05450	0.4
105.07041	2.2
107.04959	1.6
107.08595	0.9
109.02869	0.4
109.06509	0.7
109.10165	1.2
110.03674	1.9
111.04482	0.5
115.05452	0.7
117.07021	1.7
119.04944	6.6
119.08598	1.6
121.10146	0.9
123.04455	0.6
123.08093	0.4
123.11662	0.4
125.05968	1.7
127.03969	0.4
128.06227	0.9
129.01868	0.8
129.06998	1.4
131.08589	0.8
133.02895	0.4
133.06482	1.2
133.10144	0.8
135.04440	0.7
135.11705	0.5
137.06042	0.6
138.03131	9.5
141.06998	0.9
142.07797	1.4
143.08594	1.7
143.67516	0.3
145.06459	1.2
145.10135	1.1
147.04419	13.3
147.08032	0.7
147.11710	0.6
149.13174	0.4
152.06287	0.5
153.05476	100.0
154.05849	0.9
154.07698	0.3
155.08572	1.1
156.09373	1.0
157.06461	0.6
157.10136	1.4
159.08092	0.6
159.11639	0.7
161.05943	0.5
161.13222	0.5
165.05568	0.4
165.07024	1.4
165.09164	0.5
166.07805	1.3
167.07185	0.4
167.08574	0.9
169.06520	0.8
169.10164	0.4
171.08080	0.9
171.11708	1.1
173.09644	0.7
175.07597	0.5
177.05434	0.6
179.07047	12.3
180.09183	0.5
181.10132	1.6
183.08075	2.2
184.08847	1.0
185.06007	0.8
185.09622	1.6
187.07530	0.9
189.09102	0.6
194.07364	0.4
195.08008	1.7
197.05997	1.0
197.09653	0.6
198.06766	1.1
199.07567	0.7
199.11215	2.1
201.09106	4.8
208.08932	0.7
209.09680	2.4
211.07536	1.3
212.08371	1.4
213.09114	9.6
213.12619	0.5
215.10654	1.0
223.11209	0.8
225.09189	1.1
226.09854	0.4
227.10669	5.6
231.10112	0.5
237.09135	2.5
239.10698	0.7
240.07909	0.6
241.08606	0.4
241.12321	1.2
243.10320	0.5
251.10744	1.1
253.08525	0.5
255.10179	19.8
256.10568	0.5
269.11737	2.1
275.67737	0.4
279.10205	1.9
297.11249	5.3
311.12744	0.7
315.12064	0.4
337.10587	0.4
367.15436	1.9
379.15439	7.2
383.11005	0.4
391.15649	0.5
401.12216	1.6
419.13351	2.5
421.16486	16.0
426.15390	0.4
445.16666	0.7
463.17648	2.0
471.69714	0.5
481.18420	0.7
541.19623	0.4
549.17151	0.5
567.18561	2.2
585.19952	5.4
585.28851	0.9
596.59290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01860	0.6
55.05492	0.4
57.03424	0.3
61.02915	0.6
65.03928	1.2
67.05488	0.5
67.57163	0.1
68.99770	0.7
69.03409	0.5
69.07056	0.3
69.85215	0.2
70.06602	0.2
71.04979	0.2
72.08146	0.3
75.08460	0.1
77.03926	0.2
78.45405	0.2
79.05140	0.2
79.05502	1.8
81.03393	0.8
81.07061	1.1
82.04187	0.6
83.04986	0.2
84.08154	1.0
85.02907	2.1
87.00835	0.6
91.04972	0.3
91.05487	3.7
93.03397	0.4
93.07029	0.6
95.04973	0.8
95.08591	0.7
97.02886	0.9
97.06549	0.2
99.04416	0.2
103.03949	0.8
103.05453	0.3
105.01856	0.2
105.07044	1.4
107.04972	1.4
107.08599	0.5
109.02877	0.4
109.06506	0.6
109.10148	0.5
109.42336	0.2
110.03673	1.6
111.04438	0.4
115.05450	0.6
116.06267	0.2
117.07018	0.9
119.04951	5.0
119.08583	1.3
119.88750	0.2
121.02894	0.3
121.06509	0.4
121.10153	0.4
123.04424	0.3
123.11749	0.2
125.05997	1.7
127.03912	0.2
128.06248	0.8
129.01857	0.4
129.07007	1.0
130.07683	0.2
131.04887	0.4
131.08536	0.9
133.02849	0.4
133.06516	1.2
133.10132	0.4
135.04420	0.6
137.05968	0.4
138.03128	11.7
141.06955	0.9
142.07787	1.8
143.08571	1.5
145.06474	0.8
145.10159	0.9
147.04416	11.3
147.08025	0.4
147.11717	0.4
149.05962	0.2
152.06180	0.2
153.05472	100.0
154.05774	0.6
154.07776	0.4
155.08549	1.5
156.09383	0.9
157.06471	0.6
157.10138	1.6
157.63345	0.2
158.07259	0.4
159.04428	0.5
159.08012	0.7
159.11725	0.2
161.06012	0.6
165.05659	0.2
165.06976	1.3
166.07785	1.2
167.07010	0.6
167.08577	0.7
168.09364	0.2
169.06516	0.7
169.10103	0.3
170.07298	0.5
171.02870	0.2
171.08076	1.1
171.11731	1.1
173.05974	0.6
173.09682	0.5
175.07494	0.2
177.05493	0.3
179.07045	9.4
179.08440	0.4
180.09370	0.5
181.06473	0.3
181.10115	1.2
183.08038	2.0
184.08853	0.7
185.05966	0.5
185.09651	1.4
187.03955	0.2
187.07536	1.1
189.03926	0.4
189.09116	1.1
190.07784	0.2
191.08617	0.2
193.10277	0.2
194.07281	0.3
195.08052	1.4
195.11681	0.4
197.05960	0.7
197.09630	0.6
198.06796	1.4
199.07571	1.0
199.11156	1.9
201.09103	4.0
205.08559	0.3
206.10742	0.2
208.08800	0.9
209.06042	0.2
209.09633	1.7
211.07553	1.4
212.08310	1.1
212.67146	0.2
213.05571	0.5
213.09109	9.3
214.09601	0.2
215.10680	1.5
219.08070	0.2
223.07703	0.2
223.11172	0.7
225.09135	0.7
226.06355	0.3
226.09888	0.8
227.07074	0.5
227.10669	4.4
229.08559	1.0
231.10161	0.7
237.09122	2.6
239.07262	0.2
239.10638	0.8
240.07848	0.3
241.08647	0.6
241.12259	1.0
243.10150	0.5
251.10652	0.9
253.08492	0.3
253.12387	0.4
255.10178	17.7
264.07953	0.3
267.10208	0.3
269.08850	0.3
269.11703	2.1
279.10202	1.3
281.11719	0.8
285.11310	0.5
297.11221	6.5
311.12805	0.6
315.12286	0.7
323.09274	0.2
333.13409	0.3
339.12506	0.4
357.13376	0.4
367.15396	3.7
375.14517	0.3
379.15427	5.7
380.15891	0.2
383.11197	0.5
391.15530	0.5
401.12350	2.4
407.15198	0.3
419.13297	2.7
421.16467	12.2
422.16803	0.3
423.25461	0.2
423.32089	0.3
433.16730	0.2
435.18030	0.3
445.16431	1.1
463.17578	3.4
481.18512	0.7
499.19785	0.4
541.20544	0.3
549.17328	0.7
567.18665	3.2
585.19678	5.6
585.28772	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	3.8
53.03961	4.8
55.01880	5.3
55.05500	14.6
57.07079	19.0
67.05505	22.7
69.03405	4.9
69.07066	12.6
70.06579	3.8
71.04973	5.1
71.08637	5.5
71.56583	4.7
79.05499	32.4
80.06281	7.0
81.07053	39.7
83.04990	7.4
83.08610	5.3
85.06551	5.1
89.06039	27.5
90.55537	3.5
91.05479	52.3
92.91426	3.8
93.07049	54.2
94.66063	3.2
95.04961	33.5
95.08614	29.4
97.06545	6.9
103.05492	4.0
105.07037	94.0
107.08606	35.3
109.06495	11.7
109.10178	16.1
113.09647	3.9
115.05479	4.1
117.07025	27.9
119.06053	3.5
119.08595	86.4
121.06506	6.9
121.10159	34.5
123.08084	37.5
123.11723	5.4
128.06227	15.2
129.07036	27.1
130.07796	17.0
130.16954	3.6
131.08589	48.1
132.09361	11.4
133.08600	16.5
133.10143	50.2
135.08066	9.4
135.11674	9.4
137.09619	14.5
138.10403	3.7
141.07008	8.0
142.07773	20.6
143.08591	58.8
144.09349	18.0
145.10123	100.0
146.10843	5.7
147.08038	17.1
147.11671	22.7
149.09636	6.9
151.07571	5.0
151.11229	4.9
153.07007	4.3
154.07732	5.0
155.08527	18.4
156.09334	17.4
157.10144	67.4
158.10883	13.9
159.08061	5.5
159.11690	45.5
160.08856	6.5
161.09639	11.4
161.13306	8.9
163.11154	10.4
165.07043	6.4
165.09137	16.1
167.08560	5.4
168.09340	7.0
169.10155	27.6
170.10870	13.1
171.11707	38.1
172.12434	6.0
173.09689	5.0
173.13286	13.2
175.11174	11.8
175.14914	5.4
177.11214	8.2
179.08537	6.4
180.09381	4.5
181.10136	10.6
182.10889	11.7
183.11696	20.3
184.12468	5.1
185.13268	16.7
186.14084	5.6
187.11159	4.8
187.14937	4.7
189.12836	5.8
191.14276	5.5
193.10153	12.7
193.12080	5.2
194.10880	5.8
195.11765	19.1
196.12489	6.6
197.13292	22.8
198.14050	5.2
199.11223	5.0
199.14799	9.1
201.12813	4.6
203.14424	10.1
206.10892	5.8
207.11815	9.6
208.12440	5.0
208.14601	4.4
209.13290	18.9
210.14079	4.7
211.14804	13.4
213.12827	5.2
213.16316	6.0
217.10107	3.9
217.15953	5.3
221.13335	8.3
221.15379	31.7
223.14786	11.7
225.16360	5.9
228.40854	3.9
233.15373	7.2
235.14752	10.1
237.16460	6.2
239.18034	5.8
247.17186	5.0
249.16281	5.9
252.18050	4.6
253.19522	4.3
260.17810	5.2
261.16214	6.2
274.19342	7.3
300.20761	3.8
311.29425	9.4
327.20660	4.3
352.24017	26.5
353.24356	4.6
354.25485	4.9
365.24872	6.9
366.25565	6.9
371.22760	11.3
403.94391	4.0
446.31805	8.0
489.52512	4.4
491.34485	5.1
504.36053	38.3
526.13025	5.0
584.42291	20.4
584.56061	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	584.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.05509	11.1
57.07079	13.7
59.05001	4.0
65.03935	3.9
67.05511	22.7
69.03435	10.9
69.07061	9.7
70.06595	3.3
71.08643	2.6
71.55772	3.0
79.05495	19.2
80.06271	5.8
81.03418	2.5
81.06646	3.2
81.07064	35.8
83.04990	4.9
83.08585	3.8
85.06570	5.5
89.06043	18.1
91.04961	4.1
91.05489	43.5
91.59750	2.5
92.06252	3.0
93.06473	3.2
93.07054	52.7
94.07363	3.3
95.04977	21.0
95.08614	26.1
97.06530	5.6
104.28287	2.0
105.04600	2.2
105.07042	77.9
106.07272	3.1
106.07905	2.9
107.08598	37.6
108.08992	2.4
109.06516	11.5
109.10155	14.6
115.05412	5.1
115.95280	2.2
117.07011	27.1
118.74923	1.9
119.08592	83.1
120.08849	4.1
120.09509	2.8
121.06525	7.2
121.10155	34.7
122.10474	2.3
123.08087	30.9
125.05968	2.5
128.06245	12.9
129.06993	18.6
130.07782	9.9
131.08585	43.1
132.09309	4.6
133.06511	2.9
133.08582	9.0
133.10135	38.2
134.10419	5.0
135.08067	19.7
135.11716	11.7
137.09572	12.1
138.10394	5.1
139.07533	5.3
141.06995	6.4
142.07800	15.4
143.08586	44.5
144.09360	13.8
145.06450	2.7
145.10132	73.7
146.10518	7.7
147.08058	24.5
147.11687	13.9
149.09660	11.4
151.07596	15.0
151.11133	2.8
152.07977	2.2
154.07770	2.9
155.08578	13.0
156.09392	11.7
157.10141	59.4
158.10936	14.1
159.08052	7.8
159.11710	35.9
160.12321	3.1
161.09618	13.3
161.13274	6.6
163.11211	13.8
165.07016	6.8
165.09106	41.6
166.09413	3.3
167.08554	6.2
168.09315	3.9
169.10130	24.8
170.10928	11.5
171.11697	24.8
172.12390	6.4
173.09592	5.1
173.13274	15.8
174.10361	2.3
174.13849	4.2
175.11171	16.3
175.14761	7.2
176.11865	2.9
176.15170	2.7
177.09138	3.0
179.08583	6.3
179.14293	3.1
180.09286	5.3
180.11385	2.8
181.10089	11.1
181.12247	11.8
182.10796	6.6
183.11687	20.3
184.12303	4.1
185.09622	4.4
185.13263	14.4
187.11226	5.3
187.14851	5.0
189.12766	7.6
190.13510	8.3
191.10661	3.9
191.14413	2.5
192.09250	2.6
193.10179	8.2
193.12219	8.5
194.10901	8.0
195.11734	17.4
195.13319	3.3
196.12430	7.3
197.13307	13.3
198.10335	2.7
198.13858	4.5
199.11192	7.8
199.14862	5.5
201.12733	3.5
203.14357	14.0
206.10916	3.3
207.11588	6.6
207.13797	6.7
208.12383	6.6
208.14563	6.9
209.13315	12.5
209.15169	2.5
210.10420	2.6
210.13991	3.5
211.11214	3.9
211.14793	9.5
213.12744	5.4
213.16449	2.8
215.14374	4.9
216.15152	3.0
219.11739	3.5
219.13846	7.3
220.12389	2.8
221.13290	6.6
221.15369	67.4
222.13789	4.1
222.15752	6.1
223.14810	9.2
225.12682	3.6
225.16357	3.7
227.14297	4.0
231.13890	2.8
233.13220	3.6
234.16179	9.4
235.14790	7.8
237.12750	5.0
237.16418	3.7
238.17160	4.4
239.17874	3.7
241.15901	4.0
247.14682	4.9
247.16940	9.1
251.18019	4.4
259.16998	8.4
260.17776	4.6
265.15714	2.5
265.19397	3.2
266.20142	6.0
271.17020	3.5
273.18484	3.7
274.19321	13.2
285.18494	4.6
286.19196	4.1
287.20178	13.8
289.19336	3.7
293.81912	2.5
297.18402	2.6
299.20078	9.1
300.20834	10.0
300.29138	3.4
305.19046	2.4
311.29410	3.5
312.20813	3.0
313.21609	4.6
325.21594	11.2
337.21631	7.2
351.23315	2.9
352.23990	65.9
353.24789	3.9
365.24841	20.8
366.25516	14.2
371.22836	6.3
399.28940	2.3
404.30627	5.3
438.30872	2.5
446.31516	7.4
447.33215	2.4
491.35287	17.4
492.35522	25.7
504.35977	100.0
566.40729	5.2
584.41864	57.6
584.55835	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	584.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50914	2.2
53.03950	4.0
55.05518	11.0
56.07243	2.2
57.07088	10.0
59.04999	4.0
65.03975	3.2
67.05512	22.7
68.05851	2.7
69.03432	6.7
69.07083	12.3
69.48606	2.3
69.91992	11.7
71.08629	3.0
79.05500	21.8
80.05846	3.2
80.06280	4.0
81.03434	2.1
81.07061	33.5
82.07401	3.4
83.04988	6.7
83.08636	6.0
85.06548	6.1
89.06028	9.1
91.05485	41.1
91.06011	3.4
92.05807	3.0
93.07043	44.4
94.07388	6.4
95.04984	14.7
95.08617	27.7
96.08957	2.0
97.06567	6.6
103.05470	5.3
104.03767	1.9
105.04554	3.6
105.07034	66.6
106.07310	4.1
106.07912	3.0
107.08601	37.4
108.08953	5.5
109.06531	8.4
109.10158	13.5
110.10505	3.2
111.08089	2.4
115.05444	3.6
117.07030	22.0
118.44417	2.0
119.08588	75.5
120.08938	8.7
121.06533	6.7
121.10149	31.5
122.10450	4.8
123.08075	29.8
123.11750	4.9
125.06042	4.5
125.09684	2.2
128.06268	9.7
129.07050	10.3
130.07753	8.4
131.08562	36.5
132.09354	3.3
133.06505	3.6
133.08612	5.7
133.10135	39.4
134.10510	5.9
135.08055	15.0
135.11664	15.4
136.11987	3.2
137.09621	12.5
138.09981	4.5
139.07539	2.5
140.91388	2.0
141.06999	5.3
142.07788	12.4
143.08586	29.3
144.09212	6.7
145.10130	56.6
146.10519	7.2
147.08032	19.7
147.11746	9.5
148.08424	3.2
148.12016	2.7
149.09682	7.8
149.13263	3.8
151.07561	15.1
152.07889	4.5
153.07068	3.4
153.16200	2.5
154.07780	2.6
155.08557	10.3
156.09314	13.4
157.10144	44.7
158.10712	11.0
159.08122	4.1
159.11699	28.6
160.12091	5.3
161.09641	6.8
161.13278	7.0
163.11201	10.4
165.07028	4.1
165.09138	38.9
166.09503	8.8
167.08597	6.0
168.09338	5.8
169.10112	21.2
170.10771	8.9
171.08147	2.8
171.11678	21.4
172.12183	9.6
173.09619	4.3
173.13271	11.9
174.13737	2.9
175.11208	9.0
175.14865	7.5
176.15259	2.2
177.11314	4.3
177.12712	2.6
179.08600	7.0
180.09177	5.7
181.10172	11.9
181.12265	5.0
182.10811	7.4
183.11688	20.6
184.12199	8.7
185.09654	3.9
185.13298	11.2
186.13756	5.2
187.11189	3.9
187.14870	8.8
187.74144	2.0
188.11821	2.5
188.15204	3.8
189.12842	7.6
190.13445	5.0
191.10748	2.9
191.14340	4.8
193.10144	7.1
193.12317	6.7
194.10893	6.0
195.11751	17.7
195.13582	3.6
196.12308	5.8
197.13200	15.4
198.13762	4.7
199.11240	5.2
199.14877	5.1
201.12804	4.6
201.16447	4.7
203.14316	14.2
204.14717	3.1
207.11853	5.0
207.13890	10.5
208.12361	5.9
208.14488	3.5
209.13309	18.2
209.15201	3.2
210.13786	7.8
211.11218	2.0
211.14844	9.6
212.15207	3.7
213.12854	3.3
220.12479	2.7
221.13242	6.7
221.15349	66.8
222.13731	5.5
222.15775	17.8
223.14735	10.3
224.15271	3.5
225.12701	2.8
225.16435	5.7
227.14407	2.4
233.13228	3.7
234.13916	3.3
234.16077	5.2
235.14844	7.9
236.15384	3.3
237.12880	4.6
237.16380	4.2
238.16858	3.3
239.18013	3.1
241.15919	2.9
246.13731	2.3
247.17014	5.5
248.15421	2.8
249.16420	5.5
250.16982	2.9
251.18057	2.7
252.18349	2.4
253.16006	2.6
255.37538	2.3
259.17075	5.1
261.16202	3.1
265.19382	2.8
266.20117	5.7
267.17584	2.7
273.16241	3.1
274.19336	10.8
276.18317	2.9
281.19147	2.7
283.20663	5.2
284.20908	3.4
286.19379	2.6
287.20123	9.0
299.20062	3.3
300.20901	7.7
300.28903	2.9
311.20044	2.7
311.29532	5.3
312.20779	2.8
325.21786	3.8
336.24197	2.9
337.21649	3.9
350.25803	3.1
352.23938	45.6
353.24786	3.3
365.24762	15.5
366.25549	7.4
376.27542	2.6
404.30692	3.8
446.31927	4.7
491.35266	16.9
492.35635	41.8
504.36005	63.9
504.43576	3.5
566.40601	6.7
584.41864	100.0
584.55566	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	584.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.8
55.05513	16.2
57.07083	22.0
57.42175	1.7
59.05005	10.6
59.80490	1.7
65.03948	5.1
67.05509	29.0
69.03430	6.4
69.07075	19.8
69.98478	9.5
70.46957	2.0
71.04990	2.4
71.08641	11.4
79.05501	29.7
81.07068	48.8
82.07413	2.2
83.04989	6.1
83.08627	10.1
85.06559	4.1
85.10185	9.5
89.06022	2.2
91.04967	3.7
91.05492	54.3
92.05811	1.9
93.07050	62.0
94.07352	3.0
94.41319	1.9
95.04976	19.2
95.08044	3.7
95.08616	49.0
97.06532	7.4
98.98467	4.0
103.05474	4.2
105.07038	98.1
105.56074	1.8
106.07364	6.5
107.04977	4.1
107.08603	55.0
108.08927	4.1
109.06518	9.1
109.10166	28.0
115.05460	5.0
116.06260	2.9
117.07039	28.3
118.07795	2.2
119.08591	100.0
120.08873	4.0
121.06513	7.1
121.10150	49.4
122.10465	4.4
123.08097	20.1
123.11718	7.8
124.08421	3.3
124.12112	2.2
125.09647	3.8
128.06242	11.7
129.07042	17.9
130.07788	6.8
131.08574	46.5
132.09271	2.0
133.06506	4.7
133.08607	4.6
133.10143	52.5
134.10570	2.0
135.08081	14.2
135.11731	25.1
137.09615	11.9
139.11203	2.7
141.07018	7.9
142.07787	24.4
143.08580	47.0
143.73767	1.9
144.09302	8.4
145.06485	4.2
145.10136	73.8
145.34756	1.9
147.08070	15.1
147.11699	23.4
148.08389	2.9
149.09642	10.1
149.13260	5.9
151.07535	10.8
151.11229	3.8
153.06999	7.5
154.07799	5.6
155.01065	4.0
155.08536	17.6
156.09343	17.3
157.10146	55.3
158.10719	12.9
159.08069	14.5
159.11700	36.8
160.12108	4.0
161.09628	12.8
161.13335	10.4
163.11183	6.8
163.14888	2.6
165.07021	7.2
165.09111	18.4
166.07791	6.0
166.09531	5.9
167.08572	8.5
167.10690	4.9
168.09357	7.7
169.10147	30.9
170.10895	11.3
171.11697	34.0
172.12268	5.7
173.09677	6.3
173.13271	27.7
174.13760	2.4
175.11220	6.5
175.14853	16.0
177.12782	4.0
179.08492	10.5
180.09393	8.8
181.10135	20.2
182.10907	9.8
183.11700	29.6
184.12378	6.5
185.13252	23.1
187.11203	4.2
187.14845	14.6
189.12723	6.8
190.13382	2.3
191.14302	4.6
192.09366	5.4
193.10127	13.5
194.10835	10.3
195.11711	26.6
196.12437	8.7
197.13263	30.6
198.13890	6.1
199.11241	3.2
199.14861	13.8
200.15341	2.1
201.12830	6.6
201.16501	6.0
203.14418	11.5
204.14737	3.4
205.10104	4.4
206.10970	6.9
207.11708	15.3
207.13585	2.9
208.12407	5.9
209.13274	29.1
210.13844	7.5
211.11249	4.9
211.14819	16.2
212.15315	2.6
213.12723	5.5
213.16434	7.4
215.14354	5.0
217.10155	2.3
217.15898	5.7
218.11086	3.5
219.11722	7.4
219.13705	2.7
220.12242	2.8
221.13292	12.0
221.15456	25.3
222.13760	5.7
222.15811	16.6
223.14857	19.0
224.15581	3.7
225.12807	3.8
225.16344	10.5
227.14320	5.7
227.17841	2.2
231.11661	3.5
232.12483	4.2
233.13257	6.5
233.15430	12.5
234.13879	5.2
235.14853	8.9
236.15485	2.3
237.12927	2.5
237.16408	8.8
239.14262	2.5
239.18004	7.2
243.17615	3.0
244.12473	2.8
245.13394	4.0
246.14072	2.5
247.14830	7.5
247.17073	2.2
248.15508	4.2
249.16432	7.9
250.16949	2.8
251.18042	4.1
253.15880	2.7
255.17465	18.4
257.18994	6.1
257.24899	4.2
259.14716	3.5
259.20605	2.3
260.15475	4.1
261.16431	5.5
262.17230	2.2
263.18011	7.2
265.19623	4.9
267.20920	2.4
268.18207	2.8
269.19058	4.5
270.19745	4.7
271.20572	4.2
273.16202	3.1
275.17801	4.4
277.19473	4.3
279.17599	3.6
279.21164	3.2
281.19016	4.0
283.20514	4.1
285.22086	2.8
287.20157	2.8
289.19464	2.5
293.19196	2.2
293.22562	2.1
297.22116	5.5
300.28946	4.4
301.19556	2.5
305.22687	2.1
311.29373	4.7
317.22537	3.2
321.22278	3.0
324.79623	2.2
335.24017	2.8
337.25665	2.9
342.30997	3.2
345.22122	3.3
347.23740	2.4
349.25418	3.2
350.26007	2.6
354.25580	3.2
360.24692	4.5
365.24948	2.4
375.26788	2.9
376.27249	4.3
403.30136	3.8
404.30310	5.3
445.29449	2.0
488.56723	2.1
492.35422	4.6
504.35208	3.7
510.34412	3.2
539.13354	2.4
541.40680	3.2
548.87103	2.1
566.40521	19.9
584.41858	81.7
584.55530	14.3
586.78583	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	584.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01864	4.0
55.05509	7.6
55.41494	2.4
57.02398	2.4
57.07042	3.8
67.05236	2.1
67.05513	24.6
69.03434	15.3
69.07071	9.6
70.05022	13.2
70.06579	4.9
72.08157	6.4
72.22912	2.8
79.05504	17.3
81.03420	16.9
81.07072	27.6
83.04968	6.0
83.08633	3.3
85.02905	26.3
87.00808	9.8
91.05472	17.7
91.06292	2.4
93.07058	36.2
95.04964	6.7
95.08613	44.5
97.02930	15.4
97.06553	3.9
97.10171	6.5
99.04460	5.1
100.02183	4.3
105.01891	16.8
105.02471	2.9
105.07035	26.6
107.04947	6.0
107.08600	22.3
109.02879	15.3
109.10155	27.0
109.41606	2.7
111.04472	19.8
112.49657	2.5
117.07026	3.7
119.08588	34.8
121.06502	7.6
121.10151	31.3
123.08059	3.2
123.11718	22.0
124.81050	2.9
125.05994	3.4
127.03928	19.8
129.07050	3.5
131.08565	7.6
133.10110	18.3
135.11705	37.6
137.05948	3.9
137.13170	2.8
143.08583	6.8
145.04994	5.0
145.10124	20.7
147.04436	4.5
147.08038	2.9
147.11697	13.6
149.13251	7.0
151.07516	3.7
155.08466	2.7
156.09344	3.8
156.10585	2.8
157.10117	11.3
158.30753	2.6
159.11697	12.1
161.13289	6.6
163.03845	2.7
165.09169	3.1
169.10152	5.1
171.11694	12.3
173.11731	3.3
173.13255	8.3
175.07556	2.6
183.11752	3.2
185.13298	8.3
187.11188	4.7
187.14833	3.4
191.17981	4.7
197.13339	3.1
199.11195	4.1
201.12823	4.7
201.16463	3.5
203.17981	3.4
205.12256	8.3
213.12773	4.9
217.12131	4.8
219.13774	5.6
231.04994	6.3
231.13783	6.0
239.17963	4.1
245.15346	8.5
255.21088	12.0
265.19614	4.9
271.24872	2.9
273.21976	3.5
283.20563	12.2
301.18323	5.9
301.21646	100.0
301.25061	5.6
325.21536	7.0
343.22641	11.6
363.54239	3.2
391.22635	8.8
409.23886	20.7
468.18631	3.0
495.23898	3.1
513.24530	6.5
584.31073	9.0
585.28357	5.5
599.03455	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	584.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	3.0
53.03954	5.5
55.05520	17.4
57.07080	72.6
59.05004	37.8
65.03930	3.0
67.05506	22.5
69.03419	3.5
69.07073	15.8
70.06600	5.2
71.08238	3.7
71.08633	72.3
75.46915	2.5
79.05505	24.8
80.42103	2.0
81.06581	3.5
81.07061	54.0
83.04977	4.9
83.08619	9.1
85.06561	3.0
85.09717	4.2
85.10189	57.9
87.26376	2.5
89.06033	24.0
90.13221	2.2
91.05488	35.9
93.07050	55.5
95.05001	11.6
95.08611	31.4
97.06544	5.8
97.10178	4.4
98.21513	5.2
98.98473	6.3
99.11733	6.9
101.09675	3.5
105.07035	100.0
107.08599	39.1
109.06508	5.4
109.10164	23.1
110.28820	2.7
115.05488	3.1
117.07034	19.3
117.09167	12.9
119.08585	79.1
121.06503	4.1
121.10147	43.3
123.08061	11.0
123.11689	11.0
125.09676	3.7
128.06229	9.1
129.07019	14.5
130.07790	5.2
130.08675	2.6
131.08565	35.6
132.09334	2.4
132.10243	2.9
133.08589	8.7
133.10138	49.1
135.08034	5.5
135.11703	18.9
137.09602	5.9
139.11172	4.5
141.06990	7.0
141.16389	8.6
142.07803	11.9
143.08571	24.2
144.09412	5.4
145.10133	67.7
146.10582	4.4
147.08035	4.8
147.11703	34.1
149.13312	3.4
151.11180	4.3
155.01077	8.1
155.08578	12.9
156.09358	10.4
157.10144	41.3
157.11334	4.4
158.10814	5.1
159.08047	3.6
159.11691	30.1
161.09592	3.4
161.13274	19.4
165.06964	2.2
165.09039	3.3
167.08577	6.3
168.09294	4.6
169.10165	25.2
170.10872	4.8
171.11670	20.9
173.13309	17.7
175.14815	13.1
177.11223	6.6
179.08606	7.2
179.14346	4.0
180.09204	3.1
181.10110	13.0
182.10951	3.7
183.11708	18.3
184.12381	3.4
185.13293	13.6
187.11176	4.1
187.14830	6.5
189.12790	3.9
191.14330	6.3
193.10097	7.7
194.10876	4.7
195.11671	20.8
196.12402	7.6
197.13261	17.3
199.14807	8.6
199.20619	13.5
201.16429	2.2
205.10086	3.0
207.11713	6.7
209.13313	15.1
210.14017	4.6
211.14732	12.2
212.15497	2.3
213.16412	5.2
215.14311	2.3
217.15927	2.3
218.10518	2.4
219.11731	3.6
221.13290	8.0
221.15411	6.0
222.13857	3.8
223.14941	12.0
224.15530	4.6
225.16385	23.1
227.17989	4.6
233.13216	5.7
235.14917	8.0
237.16359	6.3
239.17992	4.8
241.15887	2.8
241.19623	2.5
243.17690	2.4
247.14777	4.2
247.70517	2.4
249.16386	5.0
251.17960	2.6
253.16580	3.9
253.19444	5.3
256.26312	2.8
257.18875	4.7
257.24777	20.7
261.16519	2.9
263.17755	3.8
265.19550	4.8
277.19589	3.4
289.19562	2.4
291.21051	2.7
293.22812	2.7
300.28955	6.1
309.22079	2.7
311.29398	9.2
317.22491	3.9
328.31836	3.3
342.31122	6.4
363.26724	7.4
403.29880	9.4
523.39655	4.1
541.40100	13.6
584.41992	16.6
584.56116	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01878	1.6
55.02090	0.3
55.05518	0.5
57.03426	1.2
58.35755	0.4
61.02911	1.0
61.75414	0.4
62.33960	0.3
65.03945	0.7
67.05498	0.8
68.99795	1.0
69.03088	0.4
69.03435	5.9
69.07053	0.6
70.06589	1.3
71.04990	0.7
71.14573	0.9
72.08137	0.7
73.02912	1.8
79.05486	1.7
81.03415	6.2
81.07049	1.1
83.01319	0.5
83.08562	0.3
84.08143	0.6
85.02910	13.1
87.00837	5.2
89.03894	0.4
91.03977	0.4
91.05479	2.0
93.07039	0.8
95.08591	0.7
97.02897	6.4
97.06537	0.6
99.04473	2.4
101.02385	0.3
103.05453	0.5
105.01875	3.2
105.07076	0.8
107.04965	0.8
109.02898	5.3
109.10176	0.7
110.03684	0.8
111.04417	0.4
117.01866	0.8
119.04955	1.6
119.08553	0.7
121.06519	0.9
121.10188	0.5
123.04311	0.3
125.06026	2.0
127.03933	7.7
128.07111	1.2
129.01846	0.8
131.04968	0.4
131.08511	0.4
133.06485	0.6
135.04399	0.6
135.11620	0.4
137.05984	0.7
138.03137	7.2
139.07475	0.8
145.04944	3.4
145.06108	0.4
145.06477	0.4
147.03145	0.5
147.04410	4.9
147.11742	0.4
151.03882	0.5
153.05470	100.0
154.05779	0.7
159.02866	3.0
161.06015	0.6
163.03905	0.8
163.07558	0.5
165.05412	0.7
167.07076	2.4
168.07379	0.4
171.04425	0.5
173.06009	0.8
176.04712	0.6
177.05479	9.7
179.07034	7.7
191.07039	1.3
193.08615	1.1
195.06544	7.1
201.05319	0.6
203.07082	3.1
207.06570	0.7
219.06544	6.0
221.08044	1.6
231.05029	1.2
233.08165	0.4
245.08098	1.3
257.26230	0.3
261.07565	3.7
275.09152	0.6
287.09103	0.7
289.09610	0.4
301.10532	0.5
319.11920	3.8
343.11752	3.2
361.12805	0.9
365.08609	2.3
367.11490	0.4
385.12759	3.0
391.10165	0.9
409.12756	1.4
427.13837	2.5
513.12988	0.4
531.14679	0.6
584.27826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01839	0.5
55.05513	2.4
57.03406	1.0
57.05808	0.5
58.06588	0.8
58.64794	0.4
59.39782	0.4
61.02929	0.5
65.03914	0.5
66.52360	0.4
67.05508	4.4
69.03436	3.6
69.07091	2.1
69.57566	0.8
69.57983	1.9
69.59264	0.4
70.06581	0.8
71.04992	0.6
72.08150	0.4
76.29404	0.4
77.80350	0.4
77.89127	0.4
79.05494	4.5
81.03419	10.1
81.07065	14.2
82.06554	0.4
83.04958	0.9
83.08610	0.8
84.04482	0.5
85.02927	4.3
85.06525	1.3
86.09671	0.5
87.00803	0.9
88.03999	2.6
91.05486	6.6
93.03413	1.1
93.07062	3.2
95.04988	1.0
95.08627	3.4
97.02900	3.8
97.06512	1.1
99.04446	1.3
99.08089	0.8
105.07039	8.2
107.04940	3.9
107.08607	2.5
109.02887	4.4
109.06502	1.4
109.10121	0.8
110.03664	0.5
111.04453	4.5
119.04934	1.0
119.08583	6.4
120.08103	1.6
121.10145	5.3
123.04470	0.8
123.08088	1.1
123.11715	4.7
125.05980	0.8
127.03926	3.1
127.07524	0.5
128.07076	0.5
129.31534	0.5
131.08566	0.5
133.10143	0.6
135.04440	11.1
137.06027	2.6
139.03915	18.2
145.04935	0.9
147.04411	1.3
147.11697	12.9
148.07545	0.7
151.03889	0.5
151.06320	1.1
153.05478	12.7
159.11609	0.4
163.03928	4.0
165.12790	5.9
166.08653	56.5
167.07048	0.8
175.11171	0.5
177.05446	0.6
179.07056	0.8
181.04964	14.5
183.13799	1.6
193.08467	0.6
193.12279	1.0
194.08258	0.5
208.09769	0.5
212.09193	100.0
213.09529	1.0
229.14429	2.3
254.09888	0.4
302.10434	0.6
355.17474	1.9
374.14487	5.8
385.43420	0.5
427.13791	0.6
459.88202	0.4
489.79764	0.5
538.26599	2.8
548.24677	0.8
566.25580	1.0
584.27057	24.8
585.27679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01877	1.3
55.05503	0.7
57.03429	1.0
61.02918	0.9
65.03939	0.8
67.05497	0.8
68.99774	0.6
69.03429	4.7
69.07056	0.5
70.06586	1.0
71.04977	0.9
71.38535	0.3
71.56025	0.3
72.08150	0.7
73.02905	1.1
73.25252	0.2
79.05486	1.4
81.02985	0.4
81.03423	5.4
81.07057	1.0
82.04200	0.2
82.06570	0.3
83.04985	0.4
84.08150	0.7
85.02906	9.9
85.06549	0.4
86.06081	0.3
87.00834	4.1
91.05487	1.6
91.32964	0.2
93.07027	0.9
94.07378	0.3
95.04948	0.8
95.08598	0.7
97.02897	4.1
99.04459	2.1
103.03881	0.3
105.01870	2.6
105.07030	0.8
107.04948	0.7
107.08547	0.4
108.04492	0.2
109.02892	4.3
109.10155	0.5
110.03638	0.9
115.05458	0.3
117.01834	0.5
117.06981	0.4
117.35933	0.2
119.04961	1.3
119.08587	0.9
120.08130	0.3
121.10164	0.5
123.04438	0.3
123.11674	0.3
125.06028	1.4
127.03921	5.8
129.01833	0.7
133.06482	0.6
133.10100	0.6
135.04391	0.4
135.08084	0.4
137.05965	0.6
138.03125	6.8
142.49969	0.3
145.04967	1.6
145.06467	0.6
145.10162	0.4
147.03137	0.3
147.04411	3.9
147.11592	0.4
153.05469	100.0
154.05809	1.3
157.10143	0.4
159.02853	1.8
161.05966	0.5
163.03893	1.3
167.07024	1.3
168.07484	0.4
173.06044	0.6
176.04675	0.3
177.05504	0.4
178.06493	0.2
179.07030	4.7
191.07011	0.8
193.08612	0.9
195.06569	1.4
201.05406	0.3
212.16487	1.6
215.07101	0.3
219.06554	1.2
221.08078	1.9
231.05058	0.8
233.08076	0.5
236.16338	0.3
243.06564	0.3
245.08147	0.6
254.17542	4.2
261.07590	1.8
275.09171	0.3
287.09064	0.6
295.09515	0.3
301.40982	0.2
319.11835	2.9
330.20877	0.3
331.11871	0.6
335.18549	0.3
343.11813	0.6
345.09866	0.3
360.79620	0.3
361.13074	1.1
365.08679	1.2
374.21814	1.7
374.25928	0.3
385.12860	1.7
385.24234	0.2
399.14584	0.3
409.12634	0.6
422.28879	0.7
427.13910	4.1
488.79684	0.2
513.13696	0.5
531.15106	0.8
584.24945	0.5
584.33893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01880	2.0
55.05498	0.4
57.03425	0.8
57.61605	0.3
59.37494	0.2
61.02921	0.9
61.85334	0.2
63.79271	0.2
65.03907	0.5
67.05508	0.7
68.99798	0.4
69.03078	0.4
69.03432	5.0
69.07060	0.3
70.06583	1.0
71.04990	0.9
71.55502	0.4
72.08151	0.7
73.02910	0.8
73.59872	0.2
79.05485	1.4
81.03418	4.1
81.07049	0.9
83.01390	0.2
83.04955	0.3
84.04507	0.3
84.08147	0.4
85.02908	8.8
86.06048	0.3
87.00832	3.7
91.05491	1.4
93.07034	0.4
95.04955	0.5
95.08601	0.7
97.02888	4.7
97.06541	0.5
99.04456	2.1
103.03909	0.2
105.01881	2.1
105.06995	0.6
107.04957	0.7
107.08583	0.6
109.02885	5.0
109.06555	0.2
109.10159	0.3
110.03658	0.9
111.04439	0.2
117.01854	0.6
117.07037	0.4
119.04945	1.2
119.08568	1.0
121.06548	0.3
121.10153	0.4
125.06008	0.9
127.03927	6.5
128.07069	0.6
129.01860	0.4
131.08607	0.3
133.10184	0.5
135.04422	0.3
135.08023	0.4
137.05965	0.7
138.03120	6.7
142.08705	0.3
143.08578	0.3
145.04967	2.2
147.03198	0.3
147.04410	3.5
151.11208	0.3
153.05472	100.0
154.05830	0.9
159.02878	2.1
163.03896	0.7
164.04594	0.3
167.07043	1.0
177.05498	0.8
179.07037	4.2
191.06903	0.6
193.08629	1.0
195.06529	1.2
201.05487	0.3
205.15906	0.3
207.06648	0.4
212.16525	0.5
213.03835	0.4
219.06569	1.4
220.21248	0.3
221.08115	2.3
231.05006	1.1
233.08148	0.4
236.16515	0.3
243.06633	0.5
245.08038	0.6
254.17514	1.5
259.91388	0.3
261.07471	2.0
275.09064	0.3
277.80612	0.3
287.09137	0.8
301.17975	0.4
319.11746	3.6
331.11877	0.7
339.95325	0.3
343.11841	0.6
345.09845	0.7
361.13022	1.8
365.08719	0.7
374.21820	0.8
385.12915	1.6
391.03873	0.3
399.14597	0.3
409.12836	1.1
422.29337	0.5
427.13959	5.1
513.13995	0.3
531.14642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.05510	6.8
57.07076	5.9
59.05013	4.6
61.68478	0.8
65.03929	2.0
67.05508	14.3
69.03429	7.3
69.07069	7.6
69.53663	5.6
71.01368	1.0
71.04981	0.9
77.95430	0.8
79.05500	14.9
79.43665	0.9
81.07060	17.9
83.04970	3.4
83.08624	3.9
85.06536	3.0
91.05486	25.2
91.17399	0.9
93.07047	32.9
95.04974	6.8
95.08614	20.2
97.06544	3.7
98.21558	1.7
102.96063	0.9
103.05453	1.8
105.04501	0.8
105.07038	43.4
106.07360	1.0
107.04984	1.7
107.08608	24.4
109.06539	7.1
109.10168	13.7
111.08091	4.2
115.05463	2.2
116.06280	1.2
117.07016	10.2
119.08588	38.6
121.06519	5.7
121.10149	20.8
122.07336	1.1
123.08076	12.4
123.11723	2.7
125.06020	2.2
125.09619	1.7
128.06218	4.1
129.07022	7.5
130.07822	3.7
131.08588	15.7
133.06493	1.8
133.09131	1.0
133.10136	27.2
135.08081	11.1
135.11705	12.7
137.09630	19.0
141.06953	4.2
142.07764	7.2
143.08578	15.1
144.09341	3.6
145.10130	30.3
147.08051	20.9
147.11707	11.5
148.08824	1.1
149.09624	4.8
149.13194	0.8
151.07550	13.2
151.11194	2.0
153.07025	1.1
153.09091	0.9
154.07784	1.0
155.08574	7.1
156.09332	7.2
156.63853	0.9
157.10139	22.8
158.10942	3.4
159.08095	3.1
159.11702	16.8
161.09641	5.0
161.13228	5.8
163.07542	0.9
163.11201	5.5
165.06972	2.4
165.09131	50.1
166.07826	1.2
167.08623	3.8
167.10698	1.2
168.09380	2.9
169.10150	10.2
170.10936	2.9
171.08028	1.0
171.11717	12.1
172.12456	1.6
173.09657	1.9
173.13261	10.6
175.11243	2.8
175.14777	6.3
177.09167	1.3
177.12735	1.0
179.08611	3.8
180.09340	2.7
181.10139	6.4
181.12202	5.0
182.10966	3.2
183.11726	13.4
183.13275	1.5
185.09706	1.0
185.13266	9.2
187.11270	1.8
187.14824	8.8
189.12788	3.7
191.14404	1.9
192.09341	1.2
192.96228	1.2
193.10193	5.8
193.11989	1.2
194.10854	4.1
195.11734	8.1
195.13588	1.6
196.12471	2.6
197.09758	0.9
197.11801	1.4
197.13278	7.9
199.11252	1.8
199.14870	3.2
201.12827	1.0
201.16412	2.6
203.14314	15.4
205.10159	1.5
205.15948	2.0
206.10924	2.3
207.11761	5.3
207.13870	4.7
208.12482	3.2
209.13316	9.6
209.15344	2.3
211.11296	1.4
211.14842	5.3
212.15398	1.1
213.12843	1.2
213.16364	1.2
215.14296	1.5
217.10165	1.0
219.11714	1.3
220.12427	1.2
221.13350	5.2
221.15367	100.0
222.14006	1.1
223.14902	3.3
225.12785	0.9
225.16377	2.3
226.13354	0.9
227.14268	1.4
229.16054	1.4
231.11678	1.7
233.13290	2.2
233.15436	2.0
234.14012	1.5
234.16209	1.1
235.14926	3.8
237.12791	1.0
237.16316	4.0
239.17917	1.4
246.13918	1.5
247.14803	2.1
247.17010	1.9
248.53447	0.9
249.16394	2.2
251.18065	1.2
253.15959	1.0
253.19524	1.0
255.17566	1.1
261.16345	1.5
263.17996	1.5
265.19540	1.8
269.18732	1.3
275.17822	1.3
277.19504	1.3
291.21085	1.3
293.19031	1.2
299.20074	2.9
325.21329	1.0
351.22894	1.0
352.24243	3.3
357.26047	1.3
365.25043	2.1
367.26404	1.1
375.27115	1.8
378.25354	1.5
397.27176	1.2
413.28906	1.1
437.30487	1.8
445.31342	1.0
463.31842	1.4
473.34308	5.2
491.35236	15.2
503.35153	4.3
532.10742	1.2
534.65314	0.9
565.40448	8.9
583.41522	36.3
584.42181	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99019	1.0
53.03939	3.3
55.01870	1.5
55.05511	9.9
57.07069	9.1
59.04990	4.3
65.03931	1.6
65.60245	1.2
67.05508	14.6
69.03429	9.9
69.07069	8.7
71.04988	1.3
71.08627	1.1
75.61238	1.1
79.05505	17.6
81.03437	1.5
81.07062	23.9
83.04997	2.6
83.08642	6.2
85.06549	4.8
91.05482	28.5
93.07049	44.7
95.04971	10.5
95.08608	27.2
97.06519	4.0
103.05493	2.5
105.04528	1.8
105.07036	44.1
107.08607	30.6
109.06524	8.6
109.10159	19.8
109.10841	2.0
111.08118	5.8
115.05473	2.7
116.06281	1.8
117.07011	11.7
119.08586	57.0
121.06488	5.2
121.10146	27.0
122.07278	2.0
123.08070	16.6
123.11715	3.8
125.06042	1.7
125.09623	1.6
128.06253	5.8
129.07001	9.0
130.07787	5.0
131.08578	21.0
133.06512	1.7
133.07700	1.0
133.10135	31.2
133.11095	2.2
135.08067	11.4
135.11694	16.6
137.09619	19.5
139.07561	1.5
139.11232	1.8
141.06993	3.8
142.07776	10.4
143.08563	20.9
144.09367	3.7
145.06541	1.2
145.10126	40.7
147.08054	24.1
147.09216	1.6
147.11696	14.6
149.09630	6.6
149.13268	2.1
151.07587	12.8
151.11177	1.4
153.06937	1.8
154.07765	2.3
155.08548	9.6
156.09308	10.2
157.10136	30.4
158.10893	3.6
159.08086	3.3
159.11711	23.3
160.08908	1.8
160.12396	1.5
161.09641	5.3
161.13242	9.2
163.11197	5.6
163.14871	1.5
165.07004	2.7
165.09122	45.2
166.07724	1.7
167.08623	5.0
168.09373	3.6
169.10136	16.3
170.10893	4.2
171.08153	1.4
171.11693	15.8
172.12520	2.0
173.09665	3.3
173.13283	11.5
175.11205	3.9
175.14853	11.9
177.09035	2.0
179.08458	5.4
180.09348	2.7
181.10110	8.1
181.12263	4.6
182.10915	5.0
183.11697	15.8
185.09624	1.6
185.13266	11.2
187.11243	2.3
187.14828	9.1
189.12683	5.7
191.10680	1.2
191.14278	2.5
192.09375	1.4
193.10164	6.9
194.10933	4.3
195.11719	12.9
195.13716	2.6
196.12468	2.8
197.13287	12.2
199.11159	1.8
199.14911	3.9
201.12762	1.8
201.16437	3.6
203.14325	18.1
205.10292	1.4
205.15875	1.4
206.10985	2.7
207.11728	6.4
207.13818	7.1
208.12430	3.3
209.13287	12.7
209.15201	2.1
210.13960	1.6
211.14815	4.9
213.12740	2.2
213.16457	3.2
215.14287	2.2
217.10092	1.7
219.11731	3.6
219.17578	1.3
220.12498	1.9
221.13322	6.8
221.15363	100.0
223.11357	1.2
223.14853	7.1
225.12762	1.7
225.16415	2.5
229.15839	1.5
233.13297	3.0
233.15395	2.1
235.14877	6.4
237.12717	1.5
237.16315	5.3
239.14421	1.8
239.17818	1.7
245.13377	1.4
247.14787	2.8
247.17059	3.0
249.16426	2.9
250.17097	1.5
253.19713	2.1
259.14771	1.6
260.15659	1.3
261.16360	2.5
263.18253	1.4
265.19601	3.7
271.20651	1.6
275.17783	1.7
277.19363	1.4
279.21140	1.1
281.18854	1.5
283.20621	3.4
286.19476	2.2
291.21289	1.9
293.18872	1.8
299.20117	3.0
309.18497	1.4
313.21738	1.3
325.21747	1.4
348.24948	1.5
349.25281	1.3
351.22971	1.5
352.24078	2.6
357.25751	2.3
365.24811	2.9
375.26956	3.0
377.24710	1.4
385.27859	1.3
391.26239	1.3
399.28983	1.8
403.29660	1.3
411.29092	1.6
425.30618	1.9
437.30573	2.0
473.33926	5.8
491.35214	25.7
503.35287	5.0
565.40387	9.7
583.41425	66.4
584.41724	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	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
54.26808	3.0
55.01871	2.9
55.05515	16.8
57.07074	8.1
58.20121	2.3
59.11284	2.3
67.05511	30.5
69.03426	9.7
69.07067	16.3
71.04992	4.6
71.55867	2.4
79.05493	24.0
81.03416	5.2
81.07066	36.2
83.04992	9.4
83.08621	16.5
85.02923	5.0
85.06562	3.8
91.05485	36.2
93.07048	44.3
95.04945	14.7
95.08607	37.9
97.06516	13.7
99.04497	3.3
103.05505	3.0
105.07034	58.9
107.08597	47.0
109.06516	9.2
109.10160	26.1
113.09653	6.3
115.05465	3.8
117.07028	12.0
119.08584	66.9
121.06496	3.4
121.10153	49.5
123.08113	13.5
123.11714	7.5
125.09637	4.2
128.06235	6.2
129.06992	14.8
130.07779	6.6
131.08557	33.6
133.10135	44.9
133.31799	2.7
135.08086	7.9
135.11708	14.7
137.09604	8.7
139.11192	9.2
141.07025	6.6
142.07765	18.8
143.08580	34.6
144.09326	6.7
145.10117	37.9
147.08083	7.6
147.11699	11.9
149.09665	8.7
151.07561	4.9
153.12833	3.8
154.07782	3.8
155.08611	11.6
155.10684	8.0
156.09344	11.4
157.10139	39.6
158.10999	6.0
159.08075	3.6
159.11720	21.8
161.09630	5.6
161.13280	8.5
163.11226	5.8
165.07019	7.8
165.09178	7.6
167.08578	7.5
167.10698	12.5
168.09367	7.9
169.10104	23.2
169.12276	3.2
170.10924	3.0
171.11719	23.8
173.09593	4.5
173.13242	22.5
175.11122	5.0
175.14832	5.9
179.08595	9.7
180.09363	7.3
181.10138	11.9
181.12279	12.5
182.10887	9.0
183.11670	24.8
184.12558	4.1
185.13243	17.6
187.11305	3.4
187.14877	10.2
189.12842	3.5
191.14320	4.0
192.09378	3.6
193.10147	13.6
194.10907	8.1
195.11719	16.3
195.13454	2.9
196.12515	3.5
197.13290	24.6
199.14934	15.1
201.16359	6.8
203.14354	8.2
205.16075	3.4
206.10922	8.0
207.11732	14.2
207.13606	5.6
208.12477	6.7
209.13292	24.3
211.14870	10.4
213.12979	3.6
213.16400	3.4
216.09419	2.9
217.10207	3.3
219.11801	3.9
220.12303	2.8
221.13292	11.7
221.15431	32.5
222.14078	3.6
223.14856	12.3
225.14746	5.5
225.16646	5.9
227.17992	3.3
231.11691	5.4
232.12569	4.5
233.13243	9.2
233.15431	14.2
235.14886	10.6
236.15782	3.5
237.16385	7.8
239.18030	5.9
245.13197	6.6
247.14827	9.2
247.17134	6.7
248.15556	4.6
249.16374	11.4
251.18037	4.2
253.19557	2.9
259.14795	5.9
259.69489	2.8
261.16403	7.9
263.18011	9.0
265.19543	7.7
273.16330	4.5
275.17859	4.3
277.16193	3.0
277.19250	6.4
279.21054	4.1
283.20480	5.3
287.17712	3.4
295.20685	7.3
309.22073	3.2
343.24182	4.1
349.25186	6.1
361.25226	4.0
363.26724	4.5
375.26962	5.4
397.28937	4.3
403.29965	3.4
415.30173	5.7
483.36005	3.3
491.35031	4.7
565.40491	28.9
583.41376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.3
55.05519	19.3
57.03417	3.2
57.06823	2.9
57.07080	27.3
59.04989	7.2
67.05170	3.5
67.05507	30.1
69.03439	8.0
69.07076	12.2
69.33813	21.1
71.05012	2.7
71.08634	13.8
76.86938	2.2
79.05506	25.4
81.03426	5.1
81.07064	35.0
83.04981	5.4
83.08600	14.5
85.06544	5.6
85.10185	10.1
89.06026	2.4
91.05491	34.7
93.07046	48.1
95.04993	11.3
95.08609	44.8
97.06541	9.5
98.20739	5.8
98.98473	36.8
103.05462	3.2
105.07034	55.8
106.79071	2.4
107.04941	4.2
107.08601	36.7
109.06535	7.5
109.10162	29.2
111.08080	5.1
113.09645	2.7
115.05415	2.9
117.07053	14.2
119.08593	66.8
121.06546	6.3
121.10146	34.8
123.08077	21.8
123.11727	7.2
125.09657	3.1
128.06256	5.4
129.07031	10.6
130.07748	3.4
131.08600	21.0
133.06442	3.0
133.10135	36.2
135.08086	9.2
135.11722	15.2
137.09615	14.6
139.11221	5.9
141.07002	4.9
142.07813	15.1
143.08549	27.4
144.09373	5.1
145.10138	40.0
147.08055	13.7
147.11722	15.7
149.09671	4.8
151.07603	14.2
151.11223	4.0
154.07732	3.1
155.01039	40.8
155.08540	12.0
155.10646	2.3
156.09377	8.3
157.10132	35.9
158.10835	3.7
158.71057	2.6
159.08066	3.8
159.11681	22.2
161.09625	6.0
161.13295	11.4
163.11217	6.3
165.06981	5.5
165.09122	35.5
167.08604	7.3
167.10725	3.5
168.09410	5.8
169.10147	18.2
170.10933	7.2
171.11688	21.2
173.09648	4.2
173.13280	14.2
175.11270	5.6
175.14891	8.8
177.12703	2.3
179.08578	7.8
179.14322	2.5
180.09430	4.8
181.10103	12.0
181.12282	7.8
182.10953	7.4
183.11720	20.1
184.12453	2.6
185.13268	16.2
187.11240	4.0
187.14876	8.4
189.12830	8.1
190.68837	2.4
191.14378	2.5
193.10165	10.7
194.10893	9.1
195.11732	19.4
195.13373	3.0
196.12468	3.6
197.13246	20.7
199.14851	5.4
203.14340	13.7
205.10077	2.8
206.10944	6.7
207.11760	8.6
207.13777	5.7
208.12408	4.6
209.13261	16.4
210.13985	3.8
211.14862	10.9
213.12747	4.1
213.16328	4.4
219.11729	5.2
220.12456	4.6
220.86870	2.8
221.13284	8.8
221.15347	68.0
222.14052	3.5
223.14828	9.7
225.16428	7.7
231.11719	3.5
231.17397	2.7
233.13300	4.2
235.14857	7.9
237.16446	7.6
239.17899	3.9
245.13284	6.0
247.14777	4.3
249.16525	5.4
251.18089	3.3
257.13327	3.4
261.16342	5.1
263.18085	3.6
265.19507	4.4
269.18985	3.0
271.17438	2.5
271.20621	3.8
274.17114	2.7
277.19617	3.2
283.20599	5.2
287.17844	2.8
289.19601	2.7
297.22208	8.9
299.20297	2.9
337.13657	2.5
341.30478	26.3
359.23398	2.4
365.24728	3.1
375.26828	4.5
403.30045	8.6
429.32565	2.7
477.33148	3.3
491.34915	5.3
547.39563	2.9
565.40222	29.9
583.41431	100.0
584.41547	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.05517	11.9
56.15727	1.9
57.07066	6.2
59.04993	4.0
65.03918	3.4
67.05509	19.9
69.03426	6.6
69.07064	13.6
71.02898	3.8
79.05490	18.1
81.07057	26.5
83.04979	5.9
83.08622	6.2
85.06533	4.2
91.05481	33.9
93.07045	48.3
95.04961	9.9
95.08606	29.5
97.06536	6.1
97.10148	1.8
103.05470	2.8
105.07032	58.8
107.08603	40.4
109.06535	5.8
109.10141	16.6
111.08090	2.0
113.09670	1.9
115.05460	5.1
116.06296	1.9
117.07034	13.2
119.08584	63.3
121.06552	4.7
121.10146	43.3
123.08053	12.5
123.11690	6.1
125.05975	2.3
125.09682	2.6
128.06197	9.2
129.07001	15.4
130.07777	5.7
131.08578	24.2
133.06551	3.0
133.10126	36.1
135.08060	6.5
135.11664	12.0
137.09586	6.2
139.11185	2.9
141.06975	9.7
142.07782	20.5
143.08563	31.1
144.09328	4.4
145.10132	40.8
147.04001	1.7
147.08047	8.3
147.11687	14.6
149.09636	7.9
149.13235	2.5
151.07568	12.6
153.07027	5.0
153.09151	1.9
154.07788	2.9
155.08546	12.9
155.10687	2.1
156.09355	15.6
157.08926	1.4
157.10129	39.7
158.10902	4.9
159.08083	7.0
159.11688	20.3
161.09663	4.1
161.13268	5.6
163.11200	6.4
165.07005	5.2
165.09126	12.5
166.07843	2.8
167.08580	9.3
167.10684	29.1
168.09375	5.5
169.10135	21.9
170.10912	5.9
171.11691	25.6
173.09615	4.8
173.13277	18.8
175.11154	2.5
175.14850	10.2
177.09018	2.1
177.12721	1.7
179.08559	13.1
180.09361	5.8
181.10139	14.8
181.12213	5.2
182.10918	4.7
183.11697	27.6
184.12483	6.6
185.13264	15.5
187.11185	2.8
187.14857	6.1
189.12758	6.2
191.10681	1.7
191.14342	4.9
192.09419	4.3
193.10133	12.1
194.10878	9.5
195.11690	18.6
196.12398	5.7
197.13255	16.5
199.11264	2.9
199.14853	15.0
200.85454	2.0
201.12733	2.9
201.16463	5.1
203.14384	9.4
205.10196	2.7
206.10944	6.8
207.11748	15.9
207.13774	5.0
208.12312	4.2
209.13289	22.9
209.15358	2.6
210.14101	3.6
211.14824	9.6
213.16434	2.8
215.14392	6.3
217.10208	2.3
217.15952	5.7
218.10779	2.0
219.11719	5.3
220.12505	2.9
221.13280	14.2
221.15421	28.4
222.14006	4.4
223.14772	11.2
224.15492	2.3
225.12846	3.4
225.16400	7.4
227.17992	2.9
229.16019	2.0
230.10910	2.5
231.11751	6.0
231.17531	2.5
232.12608	3.0
233.13254	8.9
233.15448	9.5
234.14067	4.4
235.14822	14.4
236.30688	1.7
237.16391	6.8
239.18018	2.5
243.11678	2.5
244.12439	2.3
245.13402	6.0
246.13965	4.0
247.14813	9.0
248.15733	2.1
249.16399	7.5
250.17043	2.1
251.14603	2.0
251.17989	5.5
253.19440	2.5
255.17395	2.8
257.13080	2.4
257.19043	7.8
258.13992	2.5
259.14804	5.4
260.15588	3.6
261.16418	7.0
262.17084	2.9
263.17993	5.0
264.50766	2.1
265.16177	2.4
265.19556	8.0
267.17654	2.1
269.19092	4.9
271.20618	4.1
273.16348	3.4
275.17944	8.3
276.18625	2.3
277.19614	5.1
279.21188	1.9
281.18994	1.8
283.20648	8.1
287.17761	2.8
289.19684	3.3
293.18936	3.0
295.20770	4.9
297.22241	2.6
331.24170	4.0
334.11111	2.2
335.23688	3.4
337.21747	2.1
347.23666	2.3
349.25381	5.8
361.25284	3.3
365.25262	2.5
373.25229	2.1
375.26950	4.7
403.29993	5.3
473.34085	2.1
491.34995	3.1
503.35007	2.3
509.34244	3.6
563.30499	2.2
565.40295	22.7
583.41443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.2
55.05516	19.2
57.07085	13.7
59.05003	4.8
60.47935	1.6
65.03943	4.6
67.05510	24.4
69.03420	10.6
69.07068	14.6
71.08617	2.7
71.22067	4.1
72.44485	1.8
77.03912	2.0
79.05494	27.8
81.07061	35.3
83.04980	7.2
83.08623	12.4
85.06544	5.7
91.05488	50.4
93.07052	54.8
95.04966	13.6
95.08613	39.8
97.06542	6.0
97.10162	2.7
98.98425	2.4
103.05450	5.5
105.07037	83.3
107.08601	49.4
109.06533	12.5
109.10152	20.8
111.08083	2.6
115.05469	8.5
117.07027	16.4
119.08587	90.5
121.06501	4.9
121.10146	49.4
123.08065	19.7
123.11697	5.9
125.05981	3.1
125.09691	2.9
128.06227	17.4
129.07025	20.0
130.07799	8.9
131.08571	37.5
133.06525	5.4
133.10143	45.6
133.11086	3.5
135.08087	14.3
135.11685	13.9
137.09622	12.9
139.11130	2.0
141.06984	11.1
142.07785	33.5
143.08562	51.2
144.09323	10.4
145.10132	55.7
147.08051	19.6
147.11703	13.3
149.09648	6.5
149.13339	2.5
151.07536	18.1
153.07007	5.8
153.09071	2.7
154.07771	3.8
155.01001	2.8
155.08554	21.9
156.09354	27.3
157.10127	61.6
158.10895	13.0
159.08105	6.8
159.11699	32.3
160.12570	2.1
161.09616	6.2
161.13290	11.0
163.11183	6.8
163.14911	2.0
165.07042	9.1
165.09116	33.2
166.07787	4.5
167.08571	11.6
167.10683	14.7
168.09351	11.1
169.10133	33.4
170.10934	10.9
171.11699	32.9
172.12460	2.5
173.09627	3.7
173.13264	22.8
175.11263	3.9
175.14822	10.0
178.07928	2.2
179.08533	17.3
180.09378	5.1
181.10112	21.2
181.12248	7.7
182.10924	11.7
183.11697	31.5
184.12492	6.0
185.09763	3.4
185.13295	16.1
187.11328	2.9
187.14853	8.0
187.36185	2.1
189.12784	6.7
189.16429	2.4
191.08438	2.7
191.10637	2.8
191.14284	10.4
192.09425	7.0
193.10153	23.9
194.10884	12.4
195.11737	29.0
196.12503	6.6
197.13243	23.1
198.13942	2.7
199.14822	16.9
201.12752	3.0
203.14352	16.8
205.10181	5.3
205.16026	2.7
206.10904	12.9
207.11737	22.1
207.13834	7.8
208.12474	8.2
209.13271	31.6
210.13982	2.2
211.11159	2.8
211.14905	9.3
213.12718	2.8
213.16420	5.7
215.14394	4.4
217.10196	4.7
217.15927	13.0
218.10884	3.9
219.11702	10.9
220.12503	9.0
221.13281	18.9
221.15424	69.5
222.14035	4.9
223.14810	16.8
224.15761	2.1
225.12692	2.7
225.16415	5.8
229.10229	2.5
231.11725	11.1
233.13300	15.4
233.15280	3.7
234.13968	4.3
235.14825	16.8
236.15704	3.3
237.16417	7.4
239.17979	3.3
243.11731	4.1
244.12486	6.4
245.13274	9.6
246.14081	5.7
247.14844	12.0
249.16414	12.3
251.17996	3.0
253.15869	2.3
257.13269	3.3
257.19116	7.3
258.14108	3.8
259.14816	8.9
260.15637	5.7
261.16422	9.0
263.17963	8.0
265.19632	11.2
269.19040	3.7
271.14719	2.3
271.20529	2.5
273.16309	4.1
275.17926	17.2
276.19080	2.2
277.19547	6.2
281.19092	3.7
283.20578	17.2
287.17703	2.7
288.18802	2.7
289.19461	4.9
290.20364	2.4
291.21439	2.3
293.18988	2.4
295.20480	3.9
297.16254	2.3
297.22302	5.7
299.20325	2.5
300.20898	2.9
301.19513	4.1
303.20972	2.4
307.20557	2.8
331.24316	6.3
335.23782	2.4
349.21518	2.4
349.25336	8.7
357.25842	3.6
365.24973	4.9
375.26978	6.8
403.29977	7.8
491.34885	6.4
503.35104	5.5
509.33994	2.7
518.73279	2.2
547.38739	3.9
565.40393	20.8
583.41473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31450	1.4
53.03940	1.7
55.05510	11.4
57.03420	2.0
57.07077	9.4
58.36461	1.2
59.04993	3.1
65.03929	3.2
65.74004	1.4
67.05508	22.1
69.03431	6.3
69.07069	12.9
69.36121	9.8
71.05000	1.6
73.89310	1.2
79.05497	20.9
81.03445	1.5
81.07060	26.4
82.06595	1.4
83.04984	4.7
83.08619	9.3
85.06538	5.2
90.87497	1.1
91.05487	35.1
93.07047	41.0
93.07634	2.8
95.04957	8.1
95.08050	2.2
95.08612	31.0
97.06536	3.8
99.09219	3.0
103.05471	4.6
105.04563	1.7
105.07036	60.5
107.08600	30.0
109.06513	6.0
109.10163	17.5
111.08103	1.4
111.11654	1.3
115.05464	4.5
116.06263	1.5
117.07030	12.0
119.06107	1.8
119.08588	56.0
121.06496	5.6
121.10149	35.4
123.08062	14.9
123.11710	5.5
125.05969	2.2
128.06235	8.6
129.07011	13.0
130.07796	6.9
131.08568	27.2
133.06551	2.2
133.10130	32.5
133.11092	2.5
135.08066	7.7
135.11711	12.1
137.09605	10.8
141.06978	6.8
142.07779	19.1
143.08566	32.4
144.09346	5.7
145.06430	1.5
145.10124	37.3
146.99011	1.4
147.08051	14.6
147.11697	15.0
149.09605	6.2
149.13278	2.9
151.07549	13.4
151.11218	2.0
153.06982	4.1
154.07799	3.2
155.01068	1.5
155.08569	12.5
156.09351	15.1
157.10135	43.4
158.10942	6.3
159.08055	3.9
159.11717	22.3
161.09633	4.5
161.13280	6.5
163.11172	6.1
165.06958	4.3
165.09128	28.7
166.07768	2.4
167.08598	10.3
167.10698	8.2
168.09373	4.6
169.10141	25.8
170.10902	6.7
171.11707	24.4
172.12439	2.4
173.09691	2.4
173.13258	18.1
175.11243	3.6
175.14825	7.3
177.09174	1.4
178.07787	1.9
179.08565	11.9
180.09334	6.2
181.10098	11.3
181.12256	4.8
182.10904	6.9
183.11702	26.4
183.13226	2.1
184.12537	6.2
185.09608	1.9
185.13260	19.2
187.11156	2.1
187.14880	4.9
189.12712	5.9
189.16486	1.4
191.08565	1.4
191.14285	6.3
192.09355	4.5
193.10110	13.1
194.10898	10.2
195.11740	17.5
196.12480	5.7
197.09607	1.5
197.13260	17.3
198.14035	2.0
199.11174	3.2
199.14861	13.4
201.12828	2.4
201.16377	2.9
203.14339	14.8
205.10143	4.4
206.10858	6.3
207.11713	18.4
207.13829	6.1
208.12445	7.2
209.13274	21.2
209.15164	1.9
210.14008	3.4
211.11188	1.4
211.14793	11.2
213.12831	3.0
213.16440	4.2
215.14432	1.7
217.10164	3.5
217.15811	6.4
218.10951	2.8
219.11751	6.2
219.17247	1.1
220.12500	6.7
221.13261	13.1
221.15314	59.1
222.13988	2.6
223.14871	11.0
224.15527	2.1
225.13008	1.6
225.16400	5.4
227.14366	1.5
229.10172	1.7
229.15874	2.6
230.10953	2.1
231.11748	5.5
231.17363	2.5
232.12454	2.8
233.13306	9.0
233.15465	3.0
234.14020	3.5
235.14792	9.7
236.15625	3.0
237.16356	7.0
239.14351	2.0
239.17935	1.8
241.15836	2.0
243.11766	2.7
243.17529	1.8
243.82220	1.3
244.12582	2.2
245.13318	5.9
246.14124	3.7
247.14828	9.9
247.16989	2.4
248.15608	2.0
249.16394	8.6
251.18040	4.7
252.18718	1.5
253.19489	2.3
255.17534	3.0
257.13184	2.0
257.19043	5.7
258.14151	1.8
259.14697	6.1
260.15631	3.0
261.16373	8.9
263.17957	6.7
265.15991	1.4
265.19556	6.2
267.17599	1.5
269.19043	3.8
271.14917	2.0
271.20624	3.5
273.16418	4.7
274.17090	1.5
275.17896	7.9
277.19568	3.0
279.20883	1.8
281.19003	2.8
283.14804	1.6
283.20572	11.7
285.16159	1.7
285.18906	1.7
286.19415	1.8
287.17746	2.3
287.20462	1.9
289.19641	2.9
291.21100	2.4
295.20605	4.7
297.16251	1.6
297.22168	4.8
299.17508	1.5
299.20334	2.3
300.21039	1.6
301.19162	1.4
307.20599	1.7
309.22360	2.7
311.20230	1.5
312.20822	1.6
313.19293	1.8
329.22687	2.3
331.24371	3.8
333.22211	2.7
347.23584	1.5
349.25311	5.7
352.23993	2.5
357.25665	2.5
359.23877	1.7
361.25446	2.1
365.24857	2.3
375.26819	7.4
403.30029	9.5
491.34875	3.0
503.35123	5.0
547.39459	3.6
565.40356	23.3
583.41437	100.0
584.41547	3.2
607.03906	1.3
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
51.02363	2.4
53.03939	6.9
53.27101	1.8
55.05516	21.7
57.07085	20.0
59.05000	4.7
65.03952	6.6
67.05505	29.4
69.03427	9.3
69.07075	24.7
69.28513	17.0
70.47086	1.9
71.08632	6.2
77.03919	2.9
79.05497	31.1
81.07061	39.2
82.45098	2.2
83.04980	11.4
83.08622	15.5
85.06551	8.8
85.10180	5.1
89.06051	14.8
91.05484	56.5
93.07050	75.8
95.04975	14.4
95.08611	45.4
97.06529	9.1
97.10171	2.4
98.21452	3.7
103.05464	8.1
105.07032	94.5
107.08599	62.9
107.09296	4.1
109.06515	12.8
109.10153	28.2
111.08105	4.8
113.09665	3.6
115.05468	8.0
116.06248	3.1
117.07011	22.1
119.08588	100.0
121.06503	6.1
121.10145	77.4
123.08060	17.7
123.11707	7.6
125.09648	5.9
128.06221	17.5
129.07005	20.9
130.07799	5.9
131.08575	39.2
133.08612	6.1
133.10136	49.2
135.08032	10.5
135.11685	22.1
137.09616	13.0
139.11191	4.0
141.06978	12.7
142.07780	28.0
143.08568	52.7
144.09361	9.3
145.10133	69.4
147.08060	10.9
147.11700	19.0
149.09593	14.5
149.13258	2.6
151.07570	9.2
151.11214	3.0
153.06999	6.1
153.09134	2.3
154.07767	4.1
155.08560	22.8
155.10628	3.8
156.09380	20.8
157.10133	66.1
158.10927	10.4
159.08078	7.4
159.11700	36.0
161.09627	8.6
161.13315	11.0
163.11201	7.6
165.07024	9.1
165.09120	17.5
166.07817	4.0
167.08603	14.2
167.10677	52.5
168.09387	9.6
169.10143	35.4
170.10918	11.8
171.11685	37.9
172.12396	2.7
173.09604	4.9
173.13274	33.2
175.11252	9.0
175.14859	13.3
178.07849	2.2
179.08563	20.1
180.09381	9.4
181.10130	19.3
181.12271	5.3
182.10854	9.6
183.11685	31.7
184.12494	6.0
185.09608	3.4
185.13251	20.2
187.11243	3.6
187.14783	9.6
189.12811	6.9
191.08620	2.2
191.14302	10.4
192.09396	6.3
193.10161	16.9
194.10948	12.9
195.11697	24.3
196.12459	7.0
197.09538	2.6
197.13280	27.9
198.14069	3.1
199.14830	30.2
201.12750	5.1
201.16406	7.0
203.14368	6.6
205.10187	5.0
205.15903	2.1
206.10965	10.4
207.11752	20.8
207.13779	5.1
208.12572	10.3
209.13260	29.3
209.15167	2.8
210.14076	5.6
211.11261	3.8
211.14851	14.2
213.12662	2.7
213.16469	6.7
215.14380	6.3
217.10175	5.4
217.15903	18.7
219.11723	10.4
219.13640	2.1
220.12462	9.5
221.13286	18.7
221.15445	30.1
222.13976	5.7
223.14838	16.3
224.15613	4.0
225.16435	7.4
227.14331	3.8
229.10062	2.6
231.11682	9.5
232.12607	5.6
233.13261	12.3
233.15456	15.7
234.14085	3.5
235.14789	13.2
236.15552	4.4
237.12758	2.3
237.16508	7.3
239.18082	3.9
241.19728	2.5
243.11749	2.7
244.12473	3.2
245.13312	7.5
246.14029	6.8
247.14795	13.0
247.17036	3.5
248.15546	4.2
249.16420	9.3
251.18044	7.5
252.18913	2.6
253.19452	3.4
255.17467	3.5
257.13324	4.0
257.18982	6.3
258.14096	3.0
259.14850	7.5
260.15649	3.2
261.16437	6.6
262.17151	3.6
263.17868	10.8
265.19626	7.7
267.17538	2.6
269.13278	2.4
269.19113	3.8
271.14883	2.5
273.16269	4.4
275.17789	9.7
275.33627	2.1
277.19492	5.5
279.17526	2.1
281.19034	2.7
283.20560	10.9
285.18683	3.5
287.20267	4.9
289.19489	3.1
291.21082	2.8
293.19070	4.0
293.66711	2.4
295.20627	5.6
297.16141	3.8
299.20370	4.3
301.19501	4.3
315.17551	2.9
324.57333	2.1
331.24350	5.3
335.23892	2.8
349.25296	9.3
351.23624	2.4
361.25201	3.0
375.27020	3.5
375.41943	2.4
403.30014	4.4
427.30310	2.5
491.35272	5.4
492.52432	2.3
503.34857	3.2
509.34320	2.7
518.96533	2.7
525.89471	2.4
547.39417	3.3
565.40387	20.7
583.41431	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.5
55.05510	6.8
55.84657	2.9
57.07067	7.3
61.71202	2.9
63.57818	3.5
67.05506	9.2
69.03416	3.7
69.07077	12.2
69.61926	21.2
79.05502	17.6
81.07073	28.3
83.04971	6.6
83.08629	5.5
91.05494	39.4
93.07055	49.8
95.04980	50.3
95.08622	22.4
97.06560	6.7
103.25462	3.2
105.07045	69.9
105.07755	3.7
107.05022	4.2
107.08611	28.9
109.06513	9.5
109.10164	12.7
115.05474	8.9
117.07034	26.1
118.07883	3.3
119.04953	4.5
119.08591	76.3
121.06509	4.9
121.10146	53.3
123.08071	15.7
123.11663	3.7
128.06195	12.0
129.07025	20.3
130.07806	11.8
131.08583	40.0
132.09377	6.9
133.06517	10.6
133.10147	28.1
135.08078	12.1
135.11694	5.6
137.09612	4.4
138.10393	5.0
139.11154	3.2
141.07024	11.1
142.07800	13.8
143.08574	43.9
144.09315	9.1
145.10141	74.5
146.07332	4.7
147.08093	10.6
147.11731	14.5
148.08949	3.8
149.09627	16.7
154.07779	6.2
155.08585	24.0
156.09335	19.5
157.10156	44.7
158.10863	10.5
159.08063	15.3
159.11674	18.8
161.09674	10.4
165.06989	6.4
166.07733	4.0
167.08540	12.4
167.10690	53.2
168.09402	10.7
169.10161	40.4
170.10909	8.7
171.08040	4.1
171.11740	22.7
172.12491	5.9
173.09653	11.3
173.13297	14.1
179.08551	13.2
181.10164	21.9
182.10976	11.0
183.11723	28.5
185.09610	10.8
185.13257	13.9
187.11255	5.1
189.12796	13.1
191.14363	8.5
192.09290	8.2
193.10158	14.1
194.10898	7.4
195.11700	27.8
196.12491	6.3
197.09636	9.3
197.13287	31.7
199.11166	17.9
200.11836	3.9
201.12778	6.0
205.10083	3.3
206.10941	8.9
207.11714	15.2
208.12440	6.4
209.09628	4.3
209.13237	20.6
210.10492	4.0
210.14001	7.3
211.11195	8.0
211.14841	18.8
213.12764	7.4
217.10080	5.3
219.11728	5.9
220.14595	9.8
221.13316	13.0
221.15404	3.8
222.14194	5.9
223.11221	10.3
223.14839	10.6
225.12779	9.4
225.16360	5.2
227.14354	7.3
229.10414	4.1
231.11687	4.5
233.13275	7.4
233.15361	27.7
234.16133	4.7
235.14909	11.0
237.16411	4.5
239.14308	4.3
245.13322	5.9
247.14771	9.3
249.12724	3.8
249.16359	4.7
251.18332	4.0
253.15967	6.7
260.17975	3.9
261.16690	5.1
265.15942	10.0
273.18600	16.7
286.19434	5.3
289.15985	6.2
297.18472	4.5
298.19357	8.5
299.20224	19.9
303.21265	5.5
310.19342	6.6
311.20270	6.6
319.20804	5.2
331.20404	4.3
335.20172	9.8
337.21646	21.2
338.22415	4.0
346.82547	3.5
349.21405	3.6
350.22070	4.6
351.23257	9.3
352.19904	7.0
352.24017	100.0
353.24643	5.6
363.23184	10.3
364.23889	4.7
365.24792	11.4
418.56851	4.2
429.27768	8.1
434.28220	6.1
443.29453	8.2
444.30362	37.6
490.34296	14.9
549.37531	4.3
582.40552	48.1
593.96832	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	582.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.8
55.01873	2.2
55.05519	9.3
56.35899	1.6
57.07090	9.0
57.07305	1.9
59.04994	5.7
67.05511	13.5
69.03430	5.6
69.07069	9.7
69.24067	19.1
71.08622	3.8
79.05499	16.4
81.07063	31.0
83.04984	4.9
83.08616	4.5
85.06556	2.7
85.10188	2.5
91.05489	34.7
93.07051	35.8
95.04370	3.3
95.04974	55.8
95.08621	14.0
103.05475	3.0
105.07039	58.4
107.04967	2.3
107.08602	41.4
109.06540	8.4
109.10139	10.2
115.05467	6.8
116.06274	1.8
117.07025	18.6
119.04977	3.2
119.08587	60.6
120.09415	2.2
121.06518	8.1
121.10155	29.0
122.07328	4.5
123.08058	10.8
123.11699	4.1
128.06227	14.3
129.07010	17.6
130.07816	7.2
131.08586	34.8
132.09384	2.4
133.06482	5.1
133.10143	25.6
134.07222	2.2
135.08072	20.5
135.11723	8.8
137.09653	3.8
138.10359	3.8
141.07008	9.8
142.07773	18.6
143.08568	49.8
144.09433	10.3
145.06473	3.0
145.10135	51.2
146.07248	3.1
147.08080	9.0
147.11710	12.9
147.80641	2.1
148.08807	3.5
149.09639	5.8
151.11211	2.1
153.07025	3.9
154.07846	3.7
155.08542	19.6
156.09377	16.6
157.10133	48.4
158.10896	11.4
159.08078	10.5
159.11696	23.3
161.09668	16.6
161.13257	3.0
165.07057	6.3
166.07825	5.1
167.08620	9.9
167.10757	7.4
168.09360	8.1
169.10121	26.7
170.10925	7.8
171.08096	4.9
171.11700	28.6
172.08833	2.5
172.12431	3.0
173.09650	17.5
173.13254	13.3
175.11218	4.8
177.09117	3.5
179.08595	12.1
180.09386	6.1
181.10152	20.0
182.10999	11.7
183.08133	4.4
183.11710	27.3
184.12553	5.4
185.09679	9.3
185.13300	15.6
186.10475	2.1
186.13910	2.3
187.11160	12.5
187.14856	5.8
188.11966	4.0
189.09128	5.7
189.12733	8.6
191.08577	3.4
191.14359	8.6
192.09413	3.8
193.10143	16.7
194.10966	7.9
195.11678	26.9
196.12555	6.5
197.09680	7.8
197.13300	20.2
198.10397	2.7
198.14037	4.2
199.11209	14.6
199.14874	7.7
201.12839	6.3
203.14392	6.1
205.10072	3.4
206.10934	9.1
207.11702	21.1
208.12515	8.1
209.13298	24.3
210.10455	4.0
210.14082	5.0
211.11163	9.6
211.14842	9.2
212.12019	3.0
213.12852	8.0
213.16420	5.5
215.14383	6.9
217.10178	4.2
217.15889	4.0
217.40457	1.9
218.10938	5.7
219.11708	8.9
220.12540	4.2
221.13335	12.5
221.15300	2.6
222.14142	4.8
223.11195	7.8
223.14871	15.2
224.15686	2.5
225.12715	9.1
225.16394	4.4
227.14328	17.7
229.10019	2.3
231.11705	7.2
231.13808	2.7
232.12552	4.5
233.13306	10.6
233.15381	3.6
234.13980	2.4
235.14801	11.4
237.12755	2.2
237.16431	6.1
238.13589	2.8
239.14296	5.6
239.18005	6.2
240.15074	2.5
241.15919	4.9
243.11571	2.4
243.17497	2.8
244.12491	2.4
245.13301	5.5
245.15514	3.2
246.14171	4.3
247.14847	12.0
248.12108	2.2
249.12686	3.1
249.16376	5.3
251.14420	5.3
251.17995	2.3
252.15044	2.5
253.15891	7.7
255.17574	3.0
257.13229	2.5
258.14185	2.6
259.14810	6.0
260.15851	2.0
261.16470	6.2
263.14359	2.8
263.18005	2.9
265.15829	3.5
267.17480	2.8
269.19122	3.0
271.14630	2.9
271.17078	4.9
273.15869	4.3
273.18570	61.3
274.17026	2.5
275.17957	3.4
276.15305	2.1
276.18762	2.0
277.16022	7.5
277.19461	3.0
279.17416	4.7
286.19287	6.0
287.17789	2.5
289.15945	12.4
289.19376	3.9
291.17535	5.1
291.21082	3.7
293.18961	4.3
297.15991	2.2
299.20163	25.8
305.19022	2.2
309.22003	2.1
311.20175	3.2
317.19125	2.8
319.20645	10.2
325.21643	5.4
333.22192	3.6
337.21634	23.7
345.22250	2.2
351.23340	7.1
352.23996	100.0
353.24637	4.2
363.23328	5.3
365.24817	11.0
367.65381	2.2
376.23804	5.2
401.28900	2.6
429.28107	5.1
434.28125	7.6
443.29358	3.0
444.30264	43.1
445.31088	7.7
490.34790	13.3
490.41177	2.6
521.38232	2.5
564.39697	4.2
582.40662	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
55.05502	7.3
57.03423	2.1
57.07083	13.9
59.05006	11.8
65.03908	2.4
67.05502	14.0
69.03426	6.5
69.07063	13.8
69.98847	6.6
71.08623	8.9
79.05500	16.2
81.07060	32.5
83.04994	4.6
83.08614	6.1
85.06543	2.7
85.10162	7.4
88.02784	2.1
91.05480	34.5
93.07043	43.7
95.04967	52.5
95.08579	19.2
97.06535	2.6
97.10163	2.2
98.20827	3.6
103.05441	4.0
105.07030	70.7
107.08601	26.4
109.06517	8.1
109.10145	13.5
110.51505	2.0
111.11716	3.1
115.05462	4.0
115.17898	1.8
116.06232	3.4
117.07034	22.2
117.09174	3.2
118.07771	4.1
119.04941	4.9
119.08578	61.2
121.06485	6.1
121.10140	55.9
123.08076	17.6
123.11716	2.7
128.06248	11.0
129.07025	18.1
130.07777	7.1
131.08572	34.7
132.09338	4.0
133.06497	10.8
133.10124	25.7
134.10861	2.0
135.08063	8.2
135.11691	5.8
137.09583	4.8
138.10419	3.5
139.11177	3.3
141.06979	7.7
142.07793	16.3
143.08559	45.7
144.09308	8.0
145.06494	3.3
145.10127	81.1
146.07228	5.5
147.08081	11.7
147.11693	13.8
149.09628	16.9
149.13161	2.3
153.06956	4.9
154.07733	3.7
155.08575	21.3
156.09337	17.3
157.10150	42.4
158.10895	8.7
159.08031	14.0
159.11705	15.7
161.09703	10.4
161.10732	2.3
161.13327	2.6
162.10515	2.1
163.11180	3.7
165.06972	8.7
166.07761	3.0
167.08583	12.3
167.10678	69.8
168.09352	7.6
169.10114	34.3
170.10896	8.4
171.08040	4.5
171.11681	27.3
172.08730	2.8
172.12466	3.6
173.09595	8.0
173.13246	12.8
175.11142	5.8
179.08574	13.6
180.09332	6.5
181.10112	20.2
182.10915	15.6
183.08084	2.0
183.11696	28.2
184.12500	5.2
185.09619	8.3
185.13300	15.5
186.10338	3.8
187.11127	14.0
187.14873	5.3
189.12738	9.6
191.14296	7.3
192.09314	4.8
192.55249	2.2
193.10146	12.5
194.10902	11.5
195.08081	2.9
195.11711	23.3
196.12413	7.4
197.09589	8.2
197.13249	17.1
198.13910	4.9
199.11182	16.9
200.11961	4.0
201.12773	7.0
206.10893	6.4
207.11708	16.5
208.12425	3.2
209.09624	3.7
209.13248	21.7
210.10405	4.4
210.14047	4.0
211.11177	5.9
211.14789	16.6
212.15529	2.7
213.12740	7.9
215.14301	6.7
217.10143	3.0
217.12227	2.8
218.10883	2.5
219.11732	6.3
219.13823	2.1
220.12585	3.4
220.14519	14.6
221.13257	11.1
221.15253	3.5
222.13907	6.0
223.11189	9.3
223.14896	13.9
224.15468	4.1
225.12756	10.8
225.16307	3.5
227.14531	3.4
231.11546	4.5
232.12386	4.1
232.14522	3.0
233.13210	9.5
233.15370	37.3
234.14000	4.6
234.16104	5.6
235.11249	2.3
235.14778	8.1
237.16286	5.0
239.18071	2.2
241.15775	2.1
243.11786	3.4
245.13251	5.4
245.15543	3.0
246.16107	4.0
247.14783	6.3
247.16986	4.7
249.12718	4.3
249.16449	6.3
253.15833	7.6
255.17484	4.6
257.13013	2.0
259.14700	5.1
259.17096	4.1
260.17767	3.4
261.16321	5.5
263.14365	8.0
265.15814	5.4
266.16748	2.1
271.14716	2.5
273.16211	2.5
273.18546	19.1
273.43225	2.2
275.17963	3.9
276.18625	3.3
277.15750	4.0
277.19763	2.4
281.19128	2.3
283.17038	2.9
285.18582	3.0
286.19293	6.4
287.20288	3.8
289.15875	2.8
289.19275	2.4
291.17575	2.4
293.19107	2.4
297.18478	5.4
298.19327	11.3
299.20074	25.1
303.20929	2.3
309.22046	3.9
310.19370	6.0
311.20023	8.1
312.20947	4.5
319.20422	2.6
323.19937	4.4
324.20801	2.6
325.21524	4.9
333.21890	3.8
335.20056	12.2
337.21597	24.1
338.22299	4.5
339.28720	2.4
349.21567	3.1
350.22403	4.2
351.23093	13.2
352.23975	100.0
353.24786	4.9
363.23199	15.5
364.24011	4.9
365.24915	12.8
376.23962	3.6
377.24634	2.3
389.24677	5.4
389.29568	2.3
429.27890	4.7
434.28314	4.4
443.29471	6.2
444.30185	40.6
490.34314	17.4
547.39294	2.6
564.38940	3.8
582.40570	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
53.56602	0.5
55.01880	1.3
55.05514	21.1
57.03447	0.7
57.07072	2.0
59.05000	1.2
61.60305	0.5
65.03959	2.5
66.24846	0.6
67.05509	37.4
69.03439	1.4
69.07074	20.2
71.05004	1.4
71.56670	0.5
73.06572	0.8
79.05497	23.3
81.03429	0.7
81.07060	43.0
83.04991	2.4
83.08617	11.6
85.06551	2.4
91.05486	23.5
91.06065	0.6
93.07049	27.2
95.04983	3.6
95.08612	36.6
97.06530	3.4
97.10166	6.1
99.08103	1.2
103.05474	1.3
105.04564	0.6
105.07035	29.1
107.08598	19.7
109.06540	2.1
109.10157	15.2
111.08104	1.7
111.11758	0.8
113.09674	0.6
115.05490	2.4
115.07589	0.7
116.06261	1.0
117.07027	15.9
117.50301	0.6
119.08590	28.1
121.06574	1.0
121.10155	14.6
123.08086	3.3
123.11723	4.5
125.09622	2.9
126.64462	0.5
127.07561	0.5
128.06212	4.6
129.07014	18.2
130.07811	1.2
131.08572	26.5
133.10138	21.3
135.08110	1.0
135.11690	8.3
137.09676	1.6
137.13269	1.9
139.11198	1.4
141.06995	6.6
142.07790	4.8
143.08563	22.7
144.09369	1.7
145.10135	27.2
147.08090	0.9
147.11699	13.7
147.12794	0.9
149.07462	0.6
149.09673	1.5
149.13280	4.8
151.11185	1.3
153.06952	1.0
153.12727	0.6
154.07825	1.3
155.08559	14.2
155.10632	1.3
156.09334	3.2
157.10132	24.5
158.10959	1.7
159.08124	0.7
159.11697	19.5
161.09760	0.7
161.13263	6.6
163.11143	1.3
163.14854	2.0
165.07153	0.9
165.09163	0.6
166.07863	0.8
167.08592	4.4
167.10744	2.0
168.09399	1.4
169.10136	16.1
170.10936	1.2
171.08125	0.7
171.11694	22.4
172.12444	0.9
173.09778	0.7
173.13271	13.8
173.14668	0.9
175.11296	1.1
175.14832	4.3
177.12848	1.0
177.16461	1.0
179.08681	2.2
179.14293	0.6
180.09369	0.9
181.10150	5.6
181.11732	0.7
181.12273	0.6
182.10966	1.7
183.11703	15.1
184.12514	1.1
185.09685	0.6
185.13269	15.3
185.14816	0.9
186.14078	0.7
187.14838	8.0
189.12819	1.2
189.16467	2.4
191.14325	0.9
193.10213	2.5
194.10947	1.2
195.11705	8.1
195.13498	0.9
196.12445	0.7
197.13274	12.5
197.15019	0.9
199.11354	0.6
199.14827	11.8
199.16576	0.8
201.16438	3.1
203.14400	0.8
203.18062	1.3
205.10193	1.3
206.11082	0.6
207.11690	3.1
208.12535	0.6
209.13281	6.5
210.63847	0.6
211.14832	7.1
213.16386	7.3
213.18065	0.7
215.14532	0.6
215.17973	1.5
219.11789	1.3
220.12520	0.8
221.13358	2.5
221.15262	1.1
223.11420	0.6
223.14882	5.2
223.16823	0.9
225.16423	5.1
227.17992	6.8
229.19670	0.7
233.13287	1.4
233.15376	0.8
235.14896	2.0
237.16440	3.0
239.17902	3.1
241.19511	3.7
247.14944	1.4
249.16432	2.0
249.18689	1.1
251.17958	0.8
253.19627	2.5
255.17332	0.9
255.21193	1.6
263.17825	1.3
263.20197	1.7
265.19348	1.2
265.21866	1.3
267.21249	1.4
269.19110	1.0
269.22668	0.8
271.20648	0.8
275.17755	0.7
275.20425	1.0
277.21939	1.2
281.19049	1.6
283.20663	1.8
285.18677	0.9
285.22141	1.0
287.20410	0.7
289.21732	1.5
291.23480	1.2
293.19357	0.9
295.20694	1.5
297.22076	0.9
299.20291	1.5
299.23608	1.0
301.21774	1.1
303.23373	2.0
305.25034	1.1
307.20688	0.8
307.76160	0.5
309.22363	2.5
311.20221	0.7
311.23682	1.1
313.21756	1.0
313.25095	0.7
315.23291	2.0
317.24863	1.8
319.26666	0.7
321.22281	1.2
323.23621	1.2
325.21893	0.9
325.25360	1.2
327.23276	2.3
329.24786	2.3
331.26581	1.3
335.23831	1.3
337.25327	2.5
339.26913	1.0
341.24661	2.7
343.26437	1.6
344.27124	1.1
345.27966	1.7
351.26974	1.9
353.24826	0.8
355.26590	2.9
357.28046	1.0
359.29562	1.0
361.25064	0.9
365.28525	2.3
367.26575	1.1
369.28107	2.8
371.29340	1.3
379.30453	1.3
381.27890	1.2
383.29486	4.5
384.30600	0.7
385.30951	0.7
391.29813	0.9
393.31812	0.9
395.29620	0.9
397.31021	3.1
405.31534	0.7
409.31039	1.0
411.32782	2.0
423.32465	1.0
425.34341	1.7
429.31433	1.0
435.33292	0.7
437.34418	0.7
445.33496	0.7
447.32434	2.7
449.34366	0.7
461.34692	1.6
472.35452	1.0
473.36462	1.5
479.35440	1.3
485.94904	0.6
493.37384	0.8
499.39407	1.9
511.38120	2.7
512.38824	1.2
513.39386	1.0
517.40454	11.9
531.41986	0.9
549.42963	17.8
563.39172	1.7
570.20038	0.6
581.45862	100.0
582.46191	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	581.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.7
53.03954	3.8
55.01875	1.7
55.05516	13.1
57.07076	8.0
59.04987	3.6
65.03930	2.3
67.05215	2.1
67.05516	21.6
69.03429	9.0
69.07073	17.8
69.50633	5.0
69.51044	5.8
71.04999	2.2
79.05498	20.9
81.07067	32.0
83.04992	8.1
83.08627	8.5
85.06548	2.4
87.04473	2.4
91.05490	36.5
93.07061	46.2
95.04980	15.3
95.08614	28.8
95.09172	2.7
97.06547	8.1
97.10212	2.8
98.98503	2.6
103.05492	3.5
105.07047	66.2
105.58568	1.6
107.04948	2.5
107.08611	35.8
109.06538	11.5
109.10177	21.0
111.08135	3.7
111.11774	2.5
115.05486	3.7
117.07032	12.8
119.08595	59.2
121.06553	8.0
121.10160	55.3
121.11040	3.0
123.08089	19.9
123.11737	8.0
123.50243	1.6
125.06039	2.4
125.09671	4.5
128.06253	8.2
129.07021	12.8
130.07834	4.7
131.08583	26.1
133.06517	4.3
133.10147	53.4
135.08051	12.9
135.11728	16.3
137.09608	10.4
139.07587	2.3
139.11203	3.3
141.07005	7.2
142.07790	13.7
143.08575	28.8
144.09380	5.6
145.06509	1.7
145.10155	41.6
147.08073	16.9
147.11703	10.3
149.09639	20.2
149.13315	2.1
149.84233	1.5
151.07571	17.9
153.07005	3.1
154.07881	3.1
155.01080	2.3
155.08585	11.0
155.10730	2.6
156.09396	14.6
157.10156	41.9
158.07359	2.1
158.10947	7.3
159.08066	8.3
159.11720	21.7
160.08862	1.6
161.09683	10.7
161.13271	8.8
163.11224	5.2
165.07025	6.3
165.09135	27.4
166.07793	3.1
167.08635	7.6
167.10704	40.7
168.09363	6.5
169.10141	19.7
170.10918	7.8
171.08067	3.1
171.11723	22.4
173.09677	5.4
173.13287	24.3
175.11200	4.6
175.14842	9.8
177.09102	2.9
178.07896	1.7
179.08542	8.2
180.09363	4.5
181.10150	14.8
181.12288	7.1
182.10933	8.7
183.11691	17.2
185.09715	4.0
185.13289	15.6
187.11287	6.2
187.14836	13.9
189.12778	7.9
191.08705	2.3
191.10570	1.9
191.14326	4.4
192.09389	4.0
193.10208	12.9
193.12167	2.2
194.10980	8.0
195.08066	2.4
195.11758	14.2
195.13809	2.8
196.12532	6.2
197.09706	3.3
197.13275	14.2
199.11246	2.6
199.14812	10.7
201.12744	3.7
201.16473	2.7
203.08688	1.9
203.14336	11.3
205.10124	4.1
206.11024	4.9
207.11758	10.0
207.13866	8.2
208.12563	4.9
209.09740	1.7
209.13319	14.0
209.15211	3.0
211.11311	3.9
211.14839	14.6
213.12848	4.0
213.16449	5.2
215.14381	5.7
217.10284	2.2
217.15904	2.2
218.10944	2.4
219.11758	7.2
220.12479	5.0
221.13315	12.3
221.15341	54.2
222.14046	4.2
223.11253	3.7
223.14926	6.8
224.11954	1.6
225.12878	4.7
225.16489	4.9
227.14427	4.7
230.11081	2.6
231.11803	5.2
231.13843	2.5
232.12503	3.4
233.13306	4.4
233.15448	17.8
234.14156	4.7
235.14813	7.9
237.12856	3.2
237.16499	4.4
239.18028	4.2
241.12256	1.6
241.15723	2.2
241.19576	3.9
243.11751	3.5
244.12605	3.4
245.13286	7.9
246.14088	5.6
247.14890	7.1
247.17090	3.0
249.16486	6.4
251.14458	2.8
251.18065	3.3
253.15808	2.1
257.13556	3.3
259.14923	5.8
260.15604	3.1
261.16525	5.3
263.18192	5.1
265.16010	2.0
265.19540	2.3
269.19073	2.1
270.14157	2.1
271.14865	2.4
272.15884	1.8
273.16290	3.5
275.14380	1.9
275.17850	2.7
277.19611	4.4
279.17645	1.5
285.16226	3.0
287.20334	3.9
287.73199	1.6
289.19543	2.1
291.17645	2.1
293.18979	2.1
299.20377	2.1
303.17664	4.0
303.21094	3.2
310.17142	1.7
312.20959	7.1
315.21094	1.8
317.19067	2.5
327.87457	2.0
333.22400	2.3
339.29199	2.6
345.25684	2.0
347.23868	3.2
359.23730	2.7
369.25641	2.0
371.24008	1.8
373.25430	7.4
393.24500	1.9
399.27026	2.3
407.29510	2.4
443.29779	2.1
489.32831	1.6
507.33563	2.1
545.37769	3.3
553.40430	3.1
563.38660	14.5
570.03339	1.7
581.39996	100.0
582.40594	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	581.1499
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.03424	0.7
65.29441	0.3
67.68443	0.2
68.83960	0.2
68.99802	0.4
69.03436	2.5
70.06583	1.0
70.10809	1.1
72.08125	0.4
84.08159	0.3
85.02912	1.5
86.09693	0.5
87.04468	0.9
89.03938	0.4
95.04948	0.2
97.02901	1.2
105.03365	0.4
107.04899	0.3
110.31352	0.2
115.03962	1.5
123.00838	0.4
127.03899	0.2
129.06995	0.3
133.04955	1.0
135.04442	0.3
149.02357	1.7
153.01842	6.9
157.06439	0.4
158.06093	0.3
161.02356	0.7
175.03957	0.3
185.05977	0.6
189.05424	0.4
199.04025	0.3
203.07056	1.0
207.06560	0.3
213.05482	2.3
217.04912	0.5
231.06573	3.2
241.04951	5.9
244.79256	0.2
259.06107	0.7
269.04471	3.7
287.05511	100.0
288.05933	1.6
299.05365	0.3
329.06430	0.7
449.10812	5.3
533.08722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1505
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.03430	0.2
62.03679	0.1
62.06063	0.1
67.01853	0.4
67.05503	0.2
68.99810	0.3
69.03424	0.5
69.33454	0.5
69.33877	0.5
70.06602	0.5
71.04986	0.3
72.08144	0.3
73.02908	0.1
79.05512	0.2
81.03416	0.4
81.07047	0.2
84.08147	0.2
85.02913	0.7
87.04456	0.1
89.03916	0.1
91.05453	0.1
93.07043	0.2
95.04940	0.2
95.08644	0.1
97.02900	0.7
102.26353	0.1
104.01675	0.1
105.07045	0.2
107.04930	0.2
107.08613	0.2
109.02892	0.2
109.06526	0.2
109.10151	0.1
115.03918	0.3
116.07094	0.2
117.03387	0.2
119.04927	0.2
119.08566	0.1
121.06538	0.1
121.10114	0.1
123.04404	0.1
127.03946	0.3
128.95079	0.1
129.01830	0.1
133.04907	0.3
135.04437	1.7
136.07541	0.1
137.02312	0.5
137.06015	0.2
141.07018	0.1
141.26242	0.1
147.04402	0.3
151.07492	0.1
153.01837	4.9
161.02356	0.4
161.05983	0.2
163.03915	0.2
164.07059	0.3
167.07045	0.7
171.02917	0.5
177.05469	0.3
179.03333	0.2
203.03258	0.1
209.15540	0.1
219.06578	0.2
241.04900	0.4
245.04488	0.1
248.90878	0.1
260.12817	0.1
263.05515	0.1
269.04477	0.3
271.05984	0.2
272.06528	0.1
273.07455	0.2
285.07959	0.1
287.05502	100.0
288.05862	1.1
449.10825	3.9
581.15057	1.5
581.29083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01871	2.3
55.05270	1.5
55.05520	18.8
57.03448	9.2
57.07078	3.4
57.56070	1.1
65.03950	2.5
67.05511	42.0
68.05823	1.4
69.07071	23.3
70.05943	5.7
70.06572	1.2
71.04992	2.8
71.08635	2.7
79.05498	23.6
81.07066	43.7
83.05003	4.7
83.08624	12.1
85.06588	1.3
91.05482	13.8
93.07050	31.6
95.04993	4.6
95.08612	45.9
97.06540	3.5
97.10160	5.0
99.08128	1.6
100.28971	1.4
105.07049	8.5
107.04972	5.6
107.08604	22.4
109.06572	2.2
109.10146	10.2
111.08088	1.9
116.43298	1.3
117.07035	7.0
119.08581	10.8
121.06485	2.1
121.10165	10.8
123.11720	4.4
131.08585	1.9
133.10159	5.8
135.08093	1.6
135.11707	31.3
137.13252	1.7
145.10141	15.5
147.11742	3.1
149.13219	1.9
159.11729	1.9
161.13307	2.4
163.11206	31.1
181.12314	6.4
208.48186	1.2
227.12813	49.0
245.22620	1.7
258.84311	1.4
263.23898	1.3
283.15424	36.9
285.16791	2.8
335.25873	4.5
337.27393	100.0
381.41611	1.5
411.95206	1.3
513.80750	1.5
545.38428	52.2
545.46790	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	580.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
55.05511	18.3
57.03431	11.0
57.07059	8.4
59.04998	5.2
65.03986	3.3
67.05508	52.8
69.07077	20.4
70.06529	14.2
71.04972	3.8
71.08634	5.4
79.05489	36.2
81.03415	5.7
81.07060	100.0
83.04969	7.6
83.08606	12.3
85.06551	4.7
91.01719	3.0
91.05482	29.3
93.07059	35.4
93.47555	3.0
95.04985	5.9
95.08619	40.6
97.06523	5.5
97.10166	3.5
103.68059	3.0
105.07035	39.8
107.08609	23.0
109.02882	3.8
109.06515	5.3
109.10176	15.3
116.07104	3.7
119.08584	26.4
121.10138	24.5
123.08113	4.1
123.11732	25.4
127.07568	4.2
131.08546	10.2
133.10121	6.4
135.11691	10.2
137.13242	3.9
145.10127	3.8
147.11687	54.9
149.13304	5.3
157.10144	4.4
159.11723	4.5
165.12767	31.2
183.13797	3.1
229.14386	7.7
229.91577	3.5
261.22165	17.0
267.15958	58.5
285.17001	67.1
322.14023	3.2
335.25824	70.9
545.38312	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.5
55.01865	15.9
55.05510	29.5
57.03435	18.9
57.07092	4.9
59.05030	4.2
61.02915	7.8
67.05506	100.0
69.03422	17.8
69.06728	4.9
69.07077	72.9
70.06578	5.3
71.04995	8.4
71.55505	6.7
73.02912	5.8
79.05500	53.5
81.03422	17.3
81.07066	73.9
83.04980	10.6
83.08614	17.2
85.02901	21.2
85.06529	7.2
85.56886	3.7
91.05488	60.8
93.07063	44.5
95.04414	5.0
95.04964	19.6
95.08610	51.4
97.02932	21.1
97.06537	22.7
97.10169	11.4
98.09715	9.8
103.03934	4.9
105.07045	45.0
107.04971	11.3
107.08598	30.2
109.02880	8.9
109.06554	8.1
109.10156	44.7
111.04450	4.1
111.08051	9.1
116.10725	15.1
117.07034	21.6
119.08591	40.9
121.06562	5.1
121.10123	23.0
123.08076	9.0
125.09621	8.9
127.03902	16.1
129.07010	9.3
131.08577	26.7
133.10149	30.6
135.08054	5.9
135.11671	15.8
137.09648	10.6
143.08496	6.3
145.10107	13.4
147.04369	5.3
147.07948	5.0
147.11682	19.5
149.09662	26.8
149.13260	6.4
151.11174	9.8
152.34631	4.7
153.05443	6.9
157.10149	10.5
159.11711	15.0
163.11238	12.3
165.09114	4.7
169.10161	4.3
171.10173	7.4
171.11652	9.3
173.11726	11.4
173.13208	9.5
175.11113	6.7
177.12860	4.7
179.14301	4.3
187.11133	4.5
196.07254	6.1
229.14372	30.1
239.18129	5.2
246.36566	4.2
247.20500	6.2
255.15903	8.0
257.19000	12.4
271.15506	5.6
275.20102	56.1
291.19382	4.2
293.21182	7.5
349.23727	61.1
367.24725	11.4
419.24152	7.0
580.33588	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	580.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48758	3.5
53.03942	5.4
55.01869	16.6
55.05517	33.9
57.03450	24.1
61.02922	9.7
67.05507	94.9
69.03428	11.3
69.07080	67.7
70.06612	9.2
71.04981	7.2
71.55325	3.9
73.02911	6.7
79.05500	48.8
81.03426	30.3
81.07062	84.1
83.04984	15.5
83.07314	6.9
83.08629	16.3
85.02908	25.0
85.06571	9.9
91.03959	9.3
91.04970	5.9
91.05491	66.3
93.07049	56.5
95.04970	21.4
95.08614	53.4
97.02888	11.7
97.06545	25.0
97.10177	11.1
98.09708	66.8
99.04475	6.0
100.60822	4.8
103.05457	7.0
105.07047	42.7
107.04961	11.6
107.08620	34.7
109.02894	4.7
109.06493	8.5
109.10165	64.5
111.08060	7.0
116.10776	5.3
116.62363	4.0
117.07013	17.8
119.08605	42.5
121.10153	21.9
123.08100	10.2
123.11691	11.2
125.09631	10.1
127.03958	8.3
128.06219	4.3
129.05482	4.7
129.07050	8.0
131.08580	22.8
133.10155	34.6
135.08044	8.3
135.11665	19.4
137.09624	11.0
139.04051	4.1
143.08607	6.5
145.10141	26.4
147.11684	18.4
149.09613	15.7
149.13278	6.9
151.11205	7.6
153.05457	8.1
157.10196	9.7
159.11714	16.7
161.09744	4.2
161.13280	9.6
163.11201	9.8
169.10066	7.0
171.10178	9.5
171.11655	5.9
173.11743	17.5
173.13260	10.4
175.11273	5.6
177.12782	8.4
179.14337	6.7
181.12302	4.3
193.12282	6.1
196.07367	78.2
205.08524	7.0
222.67369	4.0
229.14360	48.0
243.15961	9.7
247.20470	6.4
253.17865	7.2
255.15831	7.4
257.19040	15.2
269.17523	7.3
271.15411	4.5
275.20126	48.8
291.19614	6.5
331.22226	3.9
349.23782	100.0
367.24838	8.1
383.24451	13.2
426.55002	4.8
442.31973	4.9
543.01532	4.2
558.97064	5.3
580.34161	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	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64406	3.2
51.32804	3.2
53.03948	10.8
55.01866	7.2
55.05509	20.5
56.05059	3.1
57.03445	35.1
60.04531	5.2
61.02924	10.0
67.05176	4.4
67.05510	60.1
69.03435	20.7
69.06725	4.6
69.07073	64.3
69.57810	25.9
70.06248	3.7
70.06590	17.4
71.05006	26.1
72.08139	5.1
73.02911	9.7
79.05500	61.3
81.03425	39.6
81.07063	71.5
83.04983	16.8
83.08613	14.2
85.02921	26.9
85.06530	7.0
90.43215	3.9
91.03947	6.3
91.05492	54.5
93.07055	67.1
95.04973	27.3
95.08617	32.5
97.02898	23.8
97.06537	100.0
97.10160	6.7
98.20841	6.7
99.04449	8.1
99.08080	10.0
103.05471	3.8
105.07030	39.1
107.04986	21.3
107.08598	37.2
109.02886	12.6
109.06524	27.4
109.10158	11.6
111.04440	3.6
111.08081	10.1
115.05442	4.6
115.07566	43.0
117.03381	4.7
117.07002	19.2
119.04934	4.4
119.08598	29.7
121.06480	9.9
121.10180	19.2
123.04411	6.1
123.08101	7.8
123.11691	5.8
125.09662	6.6
127.03897	9.6
127.07572	4.6
129.06989	11.4
131.07016	5.1
131.08557	24.1
133.06456	5.3
133.10141	24.7
135.04462	4.1
135.08044	17.1
135.11707	11.4
143.08536	9.6
145.02837	5.4
145.06499	4.7
145.10168	19.1
147.04436	8.9
147.08047	9.2
147.11713	10.0
149.09644	11.0
149.13257	12.8
151.03879	4.0
151.11143	5.8
153.05461	37.1
154.05797	9.9
155.08548	6.7
157.10156	9.2
159.08046	8.2
159.11713	19.3
161.09605	8.5
163.03894	16.9
163.11165	8.1
165.08961	3.6
167.07072	11.2
171.11769	5.5
173.04482	5.5
173.05919	4.2
175.11195	8.3
177.12749	15.8
185.13268	4.8
187.11172	3.9
189.10939	4.7
189.12712	4.4
193.12273	5.3
195.11958	3.8
195.13814	9.3
199.14905	6.6
217.15916	9.5
227.12701	3.8
232.13626	3.6
233.15411	19.5
245.19063	6.8
255.17680	4.8
269.17477	59.5
273.18579	41.2
285.07498	7.8
286.07947	10.6
291.19498	23.2
297.17160	7.4
307.19168	4.6
313.07217	6.8
314.07425	7.9
325.20148	5.0
332.08652	7.5
332.27847	4.6
337.02490	4.0
347.22092	11.0
365.23264	41.4
383.24371	20.8
511.85593	3.5
562.33850	5.0
580.35065	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01852	1.5
55.05494	0.8
57.03411	2.0
61.02894	2.1
67.05480	0.9
68.05000	0.8
69.03086	0.7
69.03430	11.1
70.06597	4.9
70.90453	1.4
71.04981	1.7
72.08150	0.8
73.02892	2.4
73.65564	0.5
74.97150	0.6
79.05482	0.9
81.03419	9.2
81.07051	1.3
83.57629	0.7
84.08128	0.6
85.02908	19.7
85.52143	0.6
87.04430	0.9
88.03967	0.9
89.43983	0.6
91.03955	0.7
91.05479	6.9
93.07032	0.9
93.70306	0.7
94.00478	0.7
95.04976	5.1
97.02298	0.8
97.02899	12.5
97.06508	1.4
99.04428	2.3
103.03905	1.3
103.05457	1.4
105.07030	7.9
106.02914	0.9
107.04959	70.9
109.02893	4.2
111.13654	0.7
115.03967	0.8
115.05454	1.4
116.07072	4.6
119.04952	12.7
119.08582	0.8
121.06482	1.6
123.03566	1.2
123.04430	19.5
124.03947	2.4
127.03929	12.0
128.45319	0.6
131.04924	2.8
132.08066	1.1
133.06500	23.0
135.04385	1.0
135.06789	3.6
137.05963	1.2
138.05519	1.1
145.02867	0.8
145.04970	5.3
147.04417	11.1
149.06001	2.7
150.09151	51.2
159.04404	1.9
161.05984	21.7
163.03915	2.8
165.05482	26.6
165.06883	1.2
169.04967	1.3
171.05530	2.2
174.63893	0.6
174.65564	0.6
175.08694	0.7
175.11145	0.8
177.05478	11.1
187.03889	2.4
187.05820	0.8
190.66972	0.8
192.10205	1.1
193.12213	3.8
195.06540	13.4
196.09697	100.0
197.10159	0.8
205.04988	6.8
207.06540	0.6
209.02652	1.9
218.23720	0.6
223.06013	1.4
236.16501	1.5
238.10880	0.9
249.07539	0.7
254.17509	6.3
256.59122	0.6
267.15887	2.1
268.08365	1.2
280.19186	0.7
285.17023	1.8
321.09558	0.9
328.21246	5.5
349.09219	1.2
356.20682	2.0
358.14987	3.6
374.21832	2.0
382.22250	2.0
400.23239	5.1
518.20221	1.5
534.19934	4.7
544.18335	1.2
544.27142	0.8
562.19232	2.1
562.28223	1.5
580.20276	41.3
581.20612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59399	1.3
53.03950	2.2
54.47984	1.4
55.01872	3.5
55.05503	5.6
56.33125	1.4
57.03434	4.3
61.02925	9.9
67.05504	8.1
68.05023	6.0
69.03436	9.4
69.07058	3.8
70.06594	60.3
71.04976	5.3
71.07345	3.9
72.08164	8.6
73.02915	7.4
73.08466	1.5
79.05493	7.2
81.03419	36.1
81.07063	9.3
83.04962	5.5
83.07355	1.5
83.08617	8.8
84.04501	1.6
84.08141	5.8
85.02910	12.4
85.06520	2.6
87.04485	3.0
91.03940	1.6
91.05478	7.1
93.07044	7.5
95.04969	13.1
95.08600	5.0
96.08117	1.5
97.02900	18.5
97.06535	19.9
97.10185	1.6
98.06051	2.2
99.04434	1.7
105.07055	7.3
106.02943	2.0
107.04932	5.1
107.08572	5.0
109.02881	3.1
109.06529	2.0
109.10118	3.2
110.07140	1.5
111.04447	1.9
111.08054	4.8
114.05524	6.2
115.03920	2.0
116.07099	100.0
117.06974	1.5
119.04939	4.1
119.08563	4.7
120.08085	1.7
121.06541	1.8
121.10139	4.8
123.04430	2.8
124.03953	6.5
124.07607	2.3
125.09672	2.7
127.03939	6.6
128.07077	3.6
129.07002	4.1
131.08560	4.6
133.10117	3.8
135.04442	3.5
135.11726	1.3
137.02344	1.6
138.05475	1.3
139.03941	1.8
142.08601	3.6
145.02852	1.6
145.04973	1.9
147.04437	10.0
147.11705	4.7
149.09589	5.8
149.13210	1.6
151.03928	1.5
152.95105	1.4
154.08615	3.0
157.10107	4.9
159.11604	1.9
162.05464	1.4
163.03918	8.4
170.08113	3.7
173.13332	1.9
175.03926	1.8
175.11185	6.5
177.12781	1.8
191.14317	4.1
192.14751	1.3
193.12247	26.3
195.13763	8.3
207.06519	2.8
209.15372	8.3
211.13336	2.5
213.14868	3.2
223.11496	2.2
236.16441	13.3
250.07158	1.7
254.17502	23.1
262.18018	2.9
267.15930	21.1
268.08063	3.3
280.18997	8.3
285.03900	1.4
285.16953	31.3
287.05469	2.5
294.20657	1.6
308.18484	3.8
309.16977	4.7
310.20267	3.3
312.21579	2.0
328.21179	39.4
338.19708	1.8
338.23257	6.0
356.20670	18.6
372.23618	1.5
374.21646	9.6
382.22247	25.2
400.23340	45.3
406.13889	1.3
407.02405	1.5
418.20187	1.6
434.11395	1.3
500.28329	3.0
518.26227	2.5
523.53009	1.4
536.26666	1.7
538.01056	1.3
544.27643	6.8
549.18622	1.4
562.28607	38.2
580.19519	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.8
55.01870	3.5
55.05507	16.8
57.03431	7.4
57.07070	3.6
65.03938	2.5
67.05505	75.0
69.03423	4.3
69.07074	11.2
69.21722	5.6
69.22147	11.0
71.04992	4.4
71.08656	1.8
73.02905	2.1
78.67585	1.3
79.05063	3.3
79.05498	39.9
81.03419	4.8
81.07060	78.1
83.04976	2.2
83.08618	9.1
85.02898	4.4
85.06537	3.7
91.05479	23.3
92.66158	1.3
93.07046	49.3
93.07634	3.0
93.27095	1.3
95.04977	5.2
95.08610	62.6
97.02892	1.9
97.06535	1.9
97.10174	3.8
98.21478	2.6
98.98485	7.1
99.04441	3.6
103.05459	1.7
104.60889	1.4
105.07026	18.8
107.08595	40.8
109.02866	10.8
109.06515	3.2
109.10162	37.5
110.03657	4.6
111.04443	4.6
111.08099	2.8
114.51821	1.4
117.07030	9.5
119.08583	15.3
121.06498	1.6
121.10149	30.6
123.08045	2.5
123.11712	19.8
124.45562	1.4
127.03909	4.6
129.07013	2.7
131.08577	21.8
133.10132	15.8
135.11693	25.8
137.09619	3.0
137.13239	7.4
139.11201	2.8
143.08557	4.0
145.10132	16.6
147.11697	11.1
149.09612	1.9
149.13274	17.4
153.12764	1.6
155.01068	5.8
159.11691	13.1
161.13246	8.9
163.14861	14.1
169.10007	1.5
171.11736	2.3
173.13283	13.0
175.14899	3.7
177.16420	6.5
179.14264	2.7
183.11702	2.1
187.14856	7.7
191.00063	4.8
200.99960	1.6
201.16370	3.2
233.22699	2.9
243.21088	28.2
259.20654	1.9
261.22156	100.0
262.22540	2.1
263.23709	3.6
279.23257	6.1
285.22083	1.7
335.25757	19.8
337.27316	4.1
353.26892	79.7
354.27313	1.8
369.24377	2.3
377.27084	2.7
443.27676	2.0
451.20978	2.2
561.27014	5.8
561.36627	3.0
579.38849	3.4
587.83685	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3893
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
51.31541	2.9
53.03949	8.2
53.05674	2.8
55.01874	8.8
55.05516	33.9
57.03436	17.7
57.07066	4.5
59.04998	3.9
59.30315	3.7
65.03954	7.9
67.05510	100.0
69.03436	6.0
69.07074	33.0
69.21892	33.9
71.04998	5.9
79.05500	62.4
81.03429	16.4
81.07063	92.9
83.04988	11.7
83.08629	19.0
85.06544	4.1
91.05482	51.3
93.07047	81.3
95.04985	15.6
95.08615	63.4
97.06538	11.1
97.10178	12.7
105.07027	38.0
107.04950	13.8
107.08610	46.4
107.89146	3.4
109.06504	7.6
109.10152	44.7
111.04456	9.7
111.08072	8.6
117.07018	17.8
119.08609	35.7
121.06542	5.7
121.10153	49.7
123.08112	4.1
123.11736	11.6
125.09649	15.2
129.07011	10.4
131.08580	22.8
133.10143	21.4
135.08112	4.1
135.11688	24.5
139.11185	9.6
141.07031	3.4
142.07744	3.8
143.08591	8.0
145.06525	4.1
145.10143	30.9
147.08095	4.1
147.11693	19.0
149.09630	7.5
149.13312	9.8
155.08560	7.5
157.10155	13.5
159.11693	14.5
161.13226	6.3
163.11163	19.8
169.10205	4.1
171.11642	6.1
173.09599	10.4
173.11850	4.9
173.13266	10.9
175.11223	3.9
175.14809	4.9
181.12256	8.9
183.11774	4.7
187.14798	6.0
189.11092	3.2
191.10721	6.0
193.10297	3.0
193.12151	8.0
197.13260	5.3
209.11710	6.1
211.13245	6.4
227.12804	12.1
229.14398	11.5
245.13869	10.0
259.20581	4.8
261.22150	19.6
265.14444	7.9
267.15961	5.9
273.18478	4.0
277.21768	6.3
283.15433	16.3
289.21808	3.2
301.16479	20.0
315.23065	3.9
317.24829	5.6
333.24597	4.2
335.25916	23.8
363.25302	4.6
469.33594	6.3
487.34213	4.3
489.35553	11.0
507.33191	3.8
525.36072	6.1
543.36816	19.5
561.37866	31.5
579.38696	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1711
Annotation	Eriosemaside C
Peak:m/z	Relative Intensity
51.94786	0.1
52.70805	0.1
55.01863	0.2
57.03438	0.6
58.60549	0.1
59.05009	0.2
65.41162	0.1
67.01859	0.1
67.05493	0.3
67.80004	0.1
69.03431	2.3
69.07079	0.1
70.80737	0.2
70.81059	0.2
72.08123	0.2
73.02909	0.1
79.05478	0.3
81.03422	0.3
81.07048	0.3
85.02906	1.4
85.33147	0.1
87.04467	1.2
89.06024	0.2
90.01926	0.2
91.05462	0.4
93.07015	0.2
95.04980	0.1
95.08611	0.2
97.02898	1.4
97.06534	0.1
103.05460	0.3
105.07022	0.4
107.04956	0.3
109.02854	0.2
109.06502	0.2
109.10119	0.2
111.08016	0.1
115.03924	1.1
118.04158	0.4
119.08579	0.2
121.02826	0.2
123.04436	1.9
124.01587	0.5
127.03899	0.2
133.04936	0.6
133.06497	0.3
133.08588	0.2
139.03908	0.2
147.04393	0.2
149.02356	2.0
152.01053	2.1
152.09180	0.1
153.01784	0.9
153.05446	0.3
158.03615	0.3
163.03874	0.5
167.07062	0.7
170.02122	2.2
173.06004	0.1
179.03386	0.4
187.07654	0.2
197.05939	0.4
198.71118	0.1
213.05447	0.7
214.06201	0.2
217.08366	0.1
229.08606	3.2
241.04996	0.2
242.05751	1.7
252.04211	0.4
253.04948	2.3
255.06580	0.1
257.08063	0.4
269.04434	1.7
270.05237	4.3
285.07571	100.0
286.07959	1.1
297.07764	0.3
313.07178	0.1
327.08603	0.6
331.08069	0.6
381.09763	0.2
399.10822	0.2
417.11923	0.3
447.12885	4.8
579.22455	0.1
579.33972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1714
Annotation	7,4'-Dihydroxy-6-methoxyisoflavone 7-O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.85954	0.1
54.46663	0.1
55.01860	0.2
57.15688	0.1
67.05496	0.2
69.03416	0.3
70.06591	0.2
70.09621	0.1
70.09966	0.5
72.08195	0.1
79.05493	0.2
81.03430	0.3
81.07053	0.3
84.08141	0.5
85.02899	0.3
91.05482	0.3
95.01347	0.1
95.08601	0.2
97.02896	0.3
99.04449	0.1
105.07033	0.3
107.04971	0.6
109.10175	0.2
111.04443	0.2
115.05511	0.1
116.07098	0.2
118.04156	0.1
121.06484	0.4
121.10205	0.2
123.00787	0.6
123.04434	0.7
123.08015	0.1
127.03905	0.2
132.05754	0.1
133.06487	0.2
135.04433	0.1
139.03905	0.1
147.04425	0.2
152.01050	5.4
152.06210	0.2
153.01845	0.8
153.05469	0.7
153.06966	0.3
155.08539	0.2
163.03964	0.2
167.07050	0.3
168.05734	1.1
169.01323	0.1
169.06508	0.3
170.02122	1.9
179.01970	0.1
179.03418	0.3
181.06496	0.3
183.06483	0.2
183.08072	3.6
185.05914	0.2
186.06693	0.3
196.05170	0.8
197.06023	0.3
198.06717	0.1
201.05562	0.1
201.09058	0.2
211.05536	0.2
211.07552	3.4
213.05542	0.6
214.06223	0.7
224.04704	0.2
225.05551	0.2
226.06334	0.1
229.08614	8.3
230.09038	0.1
239.07031	2.1
241.04990	0.3
242.05701	1.5
246.96999	0.1
253.05002	1.2
257.08228	0.2
267.13681	0.2
269.04489	1.6
270.05234	2.3
271.06064	0.2
283.06036	0.4
284.06522	0.3
285.07581	100.0
286.07953	1.0
316.05795	0.4
331.08209	1.9
331.11856	0.3
399.16806	0.1
421.18414	0.1
447.12839	0.6
548.91986	0.1
579.21680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1709
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
50.63858	0.1
53.03946	0.2
55.05507	0.6
57.03455	0.2
66.56113	0.2
67.05489	0.2
68.99793	0.7
69.03424	0.6
70.06602	1.1
71.04987	0.2
71.54997	0.2
72.08160	1.2
73.02906	0.2
81.03407	0.6
81.07059	0.5
83.04984	0.6
83.08609	0.6
83.75894	0.1
84.04503	0.2
84.08138	0.6
85.02899	0.7
86.09719	0.2
88.66234	0.2
89.10777	0.2
91.05499	0.4
93.07063	0.4
94.06581	0.2
95.01350	0.2
95.04991	0.8
95.08617	0.4
97.02883	0.4
97.06545	0.2
99.04461	0.3
100.07639	0.2
104.25074	0.2
105.07018	0.5
107.04954	0.4
107.08595	0.8
109.02863	0.4
109.06499	0.3
109.10158	0.6
111.04448	0.3
112.07548	0.2
116.95420	0.2
119.08590	0.4
120.08067	0.2
121.10121	0.5
123.08045	0.3
125.09610	0.2
127.03909	0.5
128.07121	0.2
129.10156	0.2
131.08522	0.3
133.10141	0.7
134.03635	0.2
135.04417	1.5
135.08055	0.2
135.11713	0.2
137.02350	4.2
146.69788	0.2
147.04410	0.4
147.11699	0.3
149.13292	0.2
151.11195	0.6
155.03410	1.1
157.06464	0.2
161.02356	1.8
163.03886	0.3
163.14896	0.3
167.07008	0.3
167.14284	0.7
169.06482	0.2
173.06041	0.2
173.13239	0.8
175.04240	0.1
177.05431	0.3
185.05939	0.3
191.14342	2.3
197.06023	0.5
207.13838	0.2
209.15399	3.1
213.05458	0.2
225.05495	0.6
243.06528	0.2
253.05121	0.8
268.08231	0.2
269.04395	0.2
270.05197	1.0
271.06024	100.0
272.06299	1.3
285.07590	6.6
345.13010	0.5
353.19427	0.3
433.11313	1.7
579.16949	1.2
579.34521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1708
Annotation	7,4'-Dihydroxy-6-methoxyisoflavone 7-O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.75208	0.2
57.51552	0.2
60.77204	0.2
62.93009	0.2
67.33310	0.2
69.44275	1.6
71.41738	0.2
87.14002	0.2
88.68211	0.2
97.75549	0.2
120.20443	0.2
121.31697	0.2
134.03642	2.0
137.02345	5.3
141.06982	0.6
159.58673	0.2
169.06422	0.8
175.03995	0.2
181.06517	0.3
183.04510	0.2
185.06075	0.2
197.06001	1.8
213.05486	2.7
214.06271	3.1
225.05479	6.6
225.07614	0.4
229.08586	1.4
242.05768	0.8
253.04977	6.6
257.08215	0.3
269.04410	1.7
270.05243	15.2
285.07587	100.0
286.08005	0.9
331.08087	0.9
447.12787	1.0
512.76147	0.3
539.71570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1711
Annotation	7,4'-Dihydroxy-6-methoxyisoflavone 7-O-beta-D-xylopyranosyl-(1->6)-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.19410	0.1
69.03420	0.2
69.90803	0.5
70.06577	0.4
72.08142	0.4
81.03414	0.2
81.07021	0.2
84.08127	0.2
85.02897	0.3
86.09690	0.2
91.05473	0.2
93.98046	0.1
95.04950	0.1
97.02865	0.3
108.76865	0.1
109.02883	0.2
123.04458	0.2
127.03865	0.2
129.07042	0.1
134.03644	2.3
136.07527	0.1
137.02347	5.8
141.07019	0.8
147.04407	0.3
149.05957	0.2
151.03992	0.1
155.04880	0.2
157.06506	0.2
163.03909	0.3
164.07108	0.1
167.03462	0.2
167.07063	0.7
168.05727	0.1
169.06462	0.7
173.05986	0.2
175.03978	0.2
175.27461	0.1
181.05067	0.2
181.06506	0.4
183.04391	0.4
185.06030	0.2
186.06747	0.6
192.14572	0.1
196.05247	0.1
197.06026	1.5
209.15349	0.1
213.05475	3.0
214.06259	3.1
215.06992	0.2
225.05475	7.4
228.04225	0.1
229.08624	1.5
235.07483	0.1
241.04944	0.3
242.05836	0.7
243.06418	0.1
253.04970	7.3
257.08078	0.5
269.04453	2.2
270.05243	17.7
271.05716	0.2
285.07581	100.0
286.07944	1.5
288.46490	0.1
325.12335	0.1
331.08160	1.7
331.11911	0.2
348.16473	0.1
387.14221	0.1
447.12729	0.6
579.20819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1348
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
53.03933	0.4
57.03427	0.6
68.99764	0.3
69.03423	1.1
70.06577	0.5
71.10959	0.6
72.08149	0.3
81.03419	0.9
85.02924	1.4
87.00797	0.5
96.02104	0.5
97.02895	0.7
99.04461	0.4
109.02877	0.6
111.04440	0.5
126.41790	0.3
127.03913	0.7
133.02850	0.4
134.03603	0.5
135.04401	1.2
137.02342	1.6
138.02800	0.3
139.03908	1.2
139.06175	0.2
142.16687	0.2
150.03154	1.1
151.03905	0.7
152.01044	0.5
164.04668	0.5
167.03403	8.3
167.07002	0.8
169.06512	0.4
179.03403	0.5
181.05006	0.4
183.04427	0.3
185.05983	0.3
191.03372	2.8
191.99347	0.3
193.05054	0.4
194.01997	0.3
197.05907	0.7
200.04720	0.8
201.05521	0.4
205.05022	0.7
211.03984	0.5
212.04709	0.4
213.05464	0.6
214.06303	1.0
215.07112	0.6
217.04994	1.0
218.05658	0.6
219.06551	1.9
223.06166	0.3
225.05475	2.1
227.07126	0.3
228.04198	3.0
229.04961	0.4
229.08626	0.5
239.03329	0.3
242.05722	1.4
243.06531	6.7
245.04575	0.9
247.06027	0.9
253.04967	2.7
254.05634	0.3
256.03677	1.3
257.08173	0.8
269.04407	0.5
270.05219	5.5
271.06012	8.8
273.04083	0.3
275.09155	0.9
284.03265	2.2
285.07584	34.4
298.04694	1.3
299.05536	7.9
299.08990	0.5
303.08496	0.4
313.07034	0.9
316.05801	4.4
331.08124	100.0
332.08499	1.4
445.63199	0.3
484.49606	0.3
579.20984	0.5
609.98413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57196	0.6
55.01867	1.5
55.05500	0.9
56.05036	0.7
57.03440	0.9
62.59901	0.6
67.05492	1.3
69.03414	1.7
69.07060	0.8
69.50471	1.4
69.50874	3.5
70.06571	1.1
72.08153	1.5
73.53816	0.5
75.64938	0.6
79.05494	2.0
81.03419	2.1
81.07047	2.0
83.04992	0.7
84.08151	25.0
84.16499	0.8
85.02905	2.7
87.00815	1.0
89.98887	0.6
91.05466	1.3
93.03376	1.1
93.07027	1.2
95.08617	0.9
97.02912	2.0
105.06992	0.9
107.04964	1.6
107.08566	1.0
109.02839	1.1
109.10192	0.8
119.08604	0.9
121.06535	0.8
121.10154	0.7
123.04464	0.8
123.08097	0.9
130.08640	2.3
138.03142	0.7
147.04411	1.2
149.02322	1.5
149.05986	0.8
150.03130	2.6
151.03868	0.9
152.01059	3.1
153.01811	2.5
153.05452	3.3
161.02330	1.9
163.03886	1.8
164.04692	1.7
167.03380	5.0
167.07048	1.8
168.05801	0.9
170.02115	4.8
175.07491	0.6
177.05478	1.3
183.08041	2.0
186.06737	0.8
187.03944	1.0
189.05579	0.7
191.03462	0.9
196.05167	1.0
197.06036	1.2
200.04666	0.9
211.07562	2.4
213.05559	1.6
214.06229	0.7
215.07079	0.8
225.05577	0.8
227.06895	0.7
228.04120	3.1
229.08617	5.0
239.06918	0.7
241.04982	1.0
242.05699	4.7
243.06584	1.4
253.05016	1.7
256.03647	2.4
267.02805	0.7
269.04520	1.9
270.05270	7.4
271.06042	7.3
275.09048	0.8
282.05179	0.8
284.03223	1.5
285.07596	74.2
286.07974	1.0
298.04770	2.1
299.05551	1.7
301.03430	0.9
307.09534	0.8
311.12955	0.8
313.06970	2.2
316.05789	17.6
331.08136	100.0
332.08456	1.6
355.15500	0.9
399.32156	6.7
417.33249	7.2
465.55380	0.7
535.27063	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1344
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
54.56646	0.2
56.64188	0.2
57.03402	0.3
62.52064	0.2
67.05477	0.6
69.03407	0.4
69.07047	0.2
69.44949	0.8
69.45375	0.7
70.06583	0.7
72.08145	0.4
73.02914	0.2
79.05462	0.4
79.74343	0.2
81.03394	0.7
85.02905	0.4
87.54877	0.2
91.05487	0.4
93.07029	0.4
95.04953	0.3
95.08618	0.4
97.02856	0.2
105.07009	0.6
107.04921	0.2
109.02885	0.4
109.10187	0.4
119.04962	0.2
119.08553	0.3
124.05210	0.7
127.03911	0.5
131.04874	0.2
131.08566	0.3
134.03644	0.2
134.69525	0.2
135.04398	0.3
137.06067	0.2
147.04446	0.5
151.03903	0.8
153.01817	0.9
163.03889	0.6
165.01898	0.2
167.07016	0.5
173.02339	0.3
187.03918	0.3
191.07129	0.2
199.03987	0.3
213.05510	0.5
217.04961	1.5
218.86534	0.2
228.04156	0.7
229.04938	0.4
230.05750	0.3
243.06566	0.3
245.04449	3.2
257.04483	0.5
258.05310	0.3
269.04269	0.3
270.05273	0.4
271.05960	0.6
273.03961	4.4
285.03952	0.6
285.07559	0.8
286.04858	0.4
287.05496	1.6
288.06342	1.9
297.04062	0.3
299.05588	0.8
300.02734	0.5
301.03430	9.3
302.04047	0.5
315.04993	11.2
316.05777	46.5
317.06158	0.8
331.08118	100.0
332.08432	1.1
337.14267	0.2
346.96576	0.3
355.15390	0.5
493.13354	1.6
561.12463	0.3
579.13354	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	578.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14695	1.2
52.92508	1.3
53.03946	2.9
53.18612	1.4
53.80028	1.3
55.05515	14.7
57.03440	8.7
59.64661	1.5
65.03953	1.7
66.05279	1.3
67.05171	2.3
67.05510	37.7
69.03430	2.0
69.07063	13.1
71.04959	2.0
71.27377	2.3
73.02896	1.9
73.17672	1.3
79.05502	31.3
81.07061	40.4
83.04973	4.5
83.08659	7.3
91.05498	13.8
93.07050	41.0
94.07420	1.9
94.78167	1.4
95.04986	7.0
95.08611	41.4
97.02900	2.1
97.06538	4.9
97.10155	2.7
99.04483	2.1
105.07037	12.2
106.94396	1.6
107.04947	5.5
107.08591	25.4
109.10157	11.2
111.08070	1.8
117.07027	8.2
119.08597	10.6
121.06532	3.7
121.10145	14.8
123.11694	2.8
129.34386	1.6
130.07851	2.3
131.08539	4.5
133.10118	4.1
135.08083	2.1
135.11697	32.1
145.10136	17.6
147.11649	2.9
148.71954	1.5
149.13228	3.3
161.13197	1.9
163.11208	40.1
166.99051	1.4
173.13206	1.7
176.15469	1.4
181.12248	5.1
209.11687	1.6
227.12790	58.0
234.03528	1.6
261.22171	6.6
283.15439	30.5
317.24609	1.7
335.25809	100.0
543.36780	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1344
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
55.01885	0.3
60.43209	0.2
67.05503	0.4
68.99792	0.3
69.03412	0.7
69.07048	0.3
70.06589	0.5
70.74750	0.2
71.55394	0.2
72.08154	0.4
79.05499	0.4
81.03415	0.8
81.07053	0.6
84.08148	5.8
85.02911	1.4
87.00813	0.4
91.05476	0.5
93.07075	0.5
95.04950	0.5
95.21313	0.3
97.02898	0.9
97.92455	0.3
99.04504	0.3
105.07051	0.4
107.04942	0.4
107.08620	0.4
109.02872	0.5
109.10148	0.4
111.04446	0.4
115.05482	0.3
119.04938	0.3
119.08659	0.2
121.06513	0.3
123.04446	0.4
127.03920	0.5
130.08675	0.5
135.04417	0.7
136.07625	0.3
137.05937	0.3
137.09625	0.3
139.03923	0.7
147.04448	0.4
147.11354	0.3
150.03136	4.4
151.03896	0.4
152.01076	0.7
153.01872	0.4
153.05502	1.0
159.04411	0.3
163.03886	0.9
164.07115	0.4
167.03415	9.8
167.07001	0.3
169.01381	0.4
177.05614	0.4
179.03391	0.4
183.08067	0.3
184.03662	0.8
191.03429	1.6
197.06065	0.7
199.03957	0.4
200.04707	0.6
201.05573	0.3
211.03891	0.4
213.05569	0.5
214.06340	0.6
215.07123	0.3
217.05031	0.3
223.05951	0.3
225.05446	0.5
227.03355	0.4
227.06956	0.8
228.04169	2.0
229.08546	0.4
231.06570	0.7
239.03392	0.5
241.05060	0.5
242.05745	4.7
243.06560	3.1
245.04547	0.5
254.05742	0.6
255.02974	0.3
256.03702	0.8
257.08105	0.8
270.05270	2.6
271.06015	3.6
275.09134	1.6
278.05658	0.2
282.05182	1.2
283.05917	0.7
284.03137	0.6
285.07590	8.7
298.04843	0.8
299.05533	3.0
313.07025	2.6
316.05792	9.5
317.06134	0.4
325.65414	0.3
331.08130	100.0
332.08514	2.1
355.15466	0.7
391.66489	0.3
399.32321	1.3
417.33215	2.0
535.27728	0.3
579.26154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
55.01873	0.9
59.05011	6.0
67.05495	2.1
69.03437	2.0
69.07070	0.8
70.06598	7.7
71.54768	1.0
72.08156	2.5
73.02929	1.3
73.06554	1.8
79.05505	2.2
81.03430	1.4
81.07054	1.4
82.06593	0.6
84.04514	0.8
84.08138	0.9
85.02921	1.5
85.06512	0.9
86.09734	0.6
87.04478	10.8
89.06038	100.0
91.05499	1.8
91.07604	1.0
93.07059	1.6
93.94946	0.6
95.04985	0.7
97.02913	2.7
99.04462	1.3
103.07607	2.3
105.07028	1.0
107.04973	1.9
107.07080	3.0
107.08607	0.7
109.02901	1.9
116.07120	4.0
117.07028	0.8
117.09161	0.9
118.06882	1.5
119.08620	1.0
121.10172	1.1
123.04465	0.8
124.07616	1.2
127.03949	2.0
130.08699	0.9
131.07040	3.3
133.08612	66.3
135.11647	0.8
136.07619	1.0
137.05991	1.2
138.05505	0.9
145.02875	1.1
145.10167	1.0
147.04440	2.2
147.10196	1.3
163.03969	1.2
163.11215	0.8
164.07066	1.0
173.09660	1.5
175.09688	2.6
177.05464	1.2
177.11244	24.2
202.10817	1.5
221.13811	4.2
239.15012	1.6
283.15186	1.0
285.07556	1.3
309.19165	1.1
328.14096	1.0
331.08054	1.2
355.15482	0.9
380.20752	1.4
398.21707	5.8
399.22818	0.7
409.75946	0.7
415.25717	1.0
459.28006	1.1
503.30649	8.4
560.27008	0.8
561.35345	1.2
578.25690	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32915	0.5
53.03942	1.7
54.82476	0.5
55.01869	1.3
55.05513	1.1
55.38956	0.5
57.03430	1.4
57.07066	0.9
58.99580	1.3
61.02915	1.8
67.05500	1.6
67.44408	0.6
68.99782	0.6
69.03434	43.6
69.07082	2.9
69.36250	3.3
69.36662	0.9
70.06322	0.5
70.06597	5.9
70.63545	0.5
71.04975	1.9
72.08165	3.0
73.02915	1.4
76.02246	4.1
79.05476	1.8
81.03064	0.5
81.03432	6.3
81.07063	3.9
83.04967	2.5
83.08643	1.0
84.08157	3.3
85.02912	13.9
85.06530	1.7
86.09691	0.6
87.00836	4.3
88.30250	0.6
89.06006	0.7
91.05460	3.0
93.07043	3.8
95.04999	0.8
95.08111	0.7
95.08615	5.7
97.02901	6.2
97.06520	2.4
99.04438	1.8
100.02211	0.8
103.05437	0.9
105.00080	0.7
105.01883	2.7
105.07023	3.6
107.04937	0.8
107.08611	9.0
109.02887	5.6
109.06509	3.6
109.10123	2.0
110.07147	0.5
111.08079	2.8
112.07614	2.6
115.08670	0.6
117.01842	0.7
117.05467	0.5
117.07040	1.0
118.80990	0.5
119.08572	3.3
120.08107	0.7
120.41090	0.6
121.06499	1.8
121.10151	11.5
122.02738	11.3
123.08068	2.0
123.11707	7.7
125.09644	13.6
127.03929	9.5
128.07059	1.6
129.01843	0.8
129.10294	0.8
131.04930	1.1
131.08578	5.6
133.10130	3.8
135.08061	9.9
135.11699	5.5
140.07030	1.3
143.08572	1.0
145.02905	0.5
145.04939	2.7
145.10124	2.3
147.04411	1.3
147.11705	2.8
149.09625	7.2
149.13274	2.8
151.07526	1.3
151.11250	0.7
153.09111	4.6
158.10928	2.8
159.02905	2.8
161.05966	0.6
163.03923	1.3
163.07513	0.7
163.11180	2.4
163.14847	4.5
163.66206	0.6
165.12753	2.5
167.05263	1.0
167.10715	1.3
172.06082	0.6
173.13278	17.5
176.12050	0.7
177.05495	1.0
191.14320	67.8
192.14610	1.1
203.02885	0.6
209.15381	100.0
210.15887	0.6
215.60144	0.5
223.11543	2.1
231.04901	1.4
241.12639	4.1
259.05984	1.3
271.06030	1.0
277.07248	0.9
280.78922	0.5
284.09253	0.7
285.07611	1.2
313.02536	0.6
330.17331	6.2
334.06042	0.8
348.71432	0.5
378.16626	0.6
405.42746	0.6
578.22394	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77374	2.5
53.03940	6.3
54.41702	2.7
55.01873	6.0
55.05517	35.6
57.03428	13.0
57.07065	7.7
65.03937	5.7
67.05512	100.0
69.03433	5.9
69.07073	33.2
69.67243	2.8
69.91447	15.7
71.05000	16.7
71.08632	2.9
79.05501	64.7
79.59991	2.7
79.60572	2.8
81.03442	23.0
81.07063	95.4
83.04967	10.9
83.08614	20.9
85.06538	12.0
87.04452	3.5
91.05487	56.9
93.07057	61.2
95.04976	13.9
95.08618	61.5
97.06535	12.2
97.10179	13.8
105.04530	3.7
105.07046	55.6
107.04941	5.7
107.08605	44.0
109.06518	9.8
109.10165	37.1
111.08089	8.1
113.61179	2.9
116.66788	2.6
117.07018	19.7
119.08595	45.2
121.06489	4.4
121.10151	30.4
123.08070	5.9
123.11694	11.6
123.94640	2.9
125.09631	14.4
126.41693	3.1
128.06253	3.9
129.07013	15.9
131.08589	36.1
133.06488	2.9
133.10133	30.6
135.08052	5.5
135.11716	19.8
137.09581	6.5
137.13222	3.9
139.11195	5.1
141.07076	4.7
141.13281	3.2
142.07823	3.5
143.08611	14.9
145.10115	23.2
147.11694	22.6
149.09619	7.8
149.13268	11.7
151.11214	5.3
153.12688	3.2
154.08704	4.2
155.08575	8.1
157.10147	14.6
159.11734	23.4
161.09653	5.2
161.13261	12.7
163.11212	4.2
163.14812	4.3
169.10144	8.5
171.11674	14.1
173.11906	2.7
173.13283	13.7
175.11203	5.9
175.14781	5.6
176.01004	2.6
183.11662	9.3
185.13249	7.3
187.14851	6.7
189.11272	8.3
189.16330	4.0
193.12291	9.1
195.11746	5.9
197.13260	7.0
199.14841	4.3
211.14917	5.4
213.16449	3.2
217.15800	3.7
225.76738	2.9
227.12747	13.7
228.51903	2.7
239.16403	5.7
247.16858	3.0
259.20642	6.2
261.22137	10.2
267.15994	29.6
285.21872	3.9
287.23526	3.5
289.21622	4.8
301.25278	10.3
303.23145	5.3
332.90344	3.0
335.25931	16.0
341.24655	2.9
345.23938	3.9
361.23718	3.7
363.25366	5.2
364.71790	3.0
409.09802	3.2
435.32535	23.2
453.33667	13.7
471.34698	7.8
495.16815	2.7
509.36057	6.7
527.37390	60.5
527.55078	3.1
545.38446	47.7
559.39587	8.8
577.40259	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	577.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57577	0.1
57.03434	0.1
58.38657	0.1
59.10843	0.1
67.05493	0.2
68.99776	0.2
69.03403	0.3
70.06574	0.2
71.00485	0.1
71.00845	0.2
71.04975	0.2
72.08139	0.3
72.98988	0.1
80.05830	0.1
81.03429	0.2
81.07047	0.3
84.08161	0.6
85.02882	0.3
85.06519	0.1
85.70942	0.1
86.09639	0.1
89.03978	0.3
91.03876	0.1
91.05476	0.2
93.07027	0.1
95.08588	0.3
97.02879	0.3
107.08572	0.1
109.02862	0.2
109.10173	0.2
115.03905	0.2
115.05495	0.1
119.08501	0.1
127.03880	0.3
129.06992	0.3
137.02396	0.2
141.06996	1.3
145.02902	0.1
145.10094	0.1
147.04422	0.1
147.11623	0.1
155.04910	0.4
155.89377	0.1
157.06496	0.3
169.05200	0.2
169.06493	1.7
174.84187	0.1
180.21706	0.1
181.06496	0.5
183.04422	1.5
197.05978	2.8
199.07449	0.2
199.19003	0.1
202.25137	0.1
209.05836	0.2
224.04686	0.2
225.05466	19.6
226.05792	0.2
227.07021	1.0
253.04959	17.6
254.05336	0.2
255.06482	0.3
283.06006	100.0
284.06335	1.3
329.06705	0.2
445.11359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.5
55.01865	6.5
55.05502	15.9
57.03425	5.5
67.05507	35.0
69.03416	11.0
69.07062	15.6
71.56026	4.4
72.08163	6.7
72.50520	3.5
73.02914	5.6
79.05488	48.3
81.03410	9.6
81.06632	6.0
81.07061	48.9
83.04984	8.7
83.08613	12.7
85.02911	12.3
85.06496	4.7
88.76856	3.2
91.05461	44.9
93.07040	60.0
95.04972	6.8
95.08614	34.2
97.02888	8.8
97.06512	9.1
99.04453	4.2
103.05429	4.4
105.07023	39.1
106.69488	3.4
107.08625	32.6
109.02885	14.3
109.06498	3.7
109.10190	17.2
109.73328	3.6
111.04439	13.2
115.05433	4.6
117.07035	16.3
119.08597	41.9
121.06528	4.6
121.10131	25.4
123.11771	5.3
127.03918	8.0
129.06999	10.5
131.08556	26.3
132.99484	3.9
133.10126	31.1
135.11719	19.1
137.09641	4.4
139.28090	3.9
143.08542	11.8
145.10110	19.4
147.11687	33.1
149.09622	3.9
149.13255	14.0
152.48993	4.3
157.10123	12.8
159.11736	17.2
161.13268	23.3
162.17831	4.3
163.11206	7.1
163.14854	6.2
171.11696	7.6
173.13243	7.9
175.14819	8.1
185.13292	13.4
199.14835	5.0
213.09145	4.4
219.17233	3.8
231.21062	5.0
237.59895	3.8
241.19537	36.1
259.20560	74.0
261.77332	4.3
275.19943	6.2
277.21533	10.0
333.24289	11.0
351.25317	100.0
351.29559	6.8
577.36816	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	575.6127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	40.3
57.07080	78.1
67.05507	72.2
69.07072	70.0
70.80227	2.8
71.04983	6.5
71.08638	55.0
71.56535	3.3
73.83703	2.7
78.87012	2.6
79.05496	25.1
81.06581	5.0
81.07064	99.3
82.07396	3.4
83.08630	52.2
85.10181	29.6
87.04469	7.0
88.27659	2.5
89.43351	2.6
91.05488	10.0
93.07046	20.5
95.08614	100.0
97.06558	3.0
97.10185	40.9
98.26255	2.6
99.11761	6.4
105.07026	7.9
107.08608	9.6
109.10163	47.9
111.11715	31.2
117.07010	3.5
119.08601	7.3
121.10187	13.7
123.11705	24.5
125.13285	15.5
133.10184	6.7
135.11719	7.3
137.13269	12.6
139.14857	4.4
141.04341	2.5
145.26796	2.9
147.11685	3.0
151.14838	9.8
161.13293	3.4
163.14771	3.1
165.16461	4.1
179.18022	3.7
206.66983	2.7
227.18115	3.2
239.23676	9.8
245.22830	3.9
263.23715	3.0
265.25357	3.1
305.32059	3.5
313.27444	5.2
314.27805	4.1
319.26700	3.3
330.00174	2.5
361.38150	3.6
481.39069	3.2
482.39294	23.7
540.43231	9.6
557.59985	12.3
575.41376	3.0
575.50287	81.6
575.59851	5.5
576.50598	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	576.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00371	0.3
52.64396	0.2
53.03944	0.7
55.01875	0.8
55.05507	0.5
56.05018	0.3
57.03442	0.5
57.07080	17.7
59.04990	0.4
61.02917	0.6
63.68287	0.2
65.03936	0.7
67.05505	0.8
68.99769	0.3
69.03134	0.2
69.03439	2.2
69.07052	0.6
70.06585	1.0
71.04995	3.2
71.55582	0.3
72.08145	0.6
73.02891	0.5
79.05490	0.4
81.03060	0.3
81.03433	3.1
81.07058	0.9
83.04972	0.2
83.08603	0.3
85.02908	5.1
87.00833	3.2
89.06017	1.8
91.05482	0.5
93.07050	0.5
95.04960	0.4
95.08594	0.7
97.02901	2.8
99.04456	1.1
102.77829	0.3
105.01866	1.6
105.07023	0.3
107.08582	0.6
109.02881	2.3
109.06567	0.3
109.10155	0.8
116.07089	0.5
117.01856	0.3
119.08582	0.7
121.02878	2.3
121.10162	0.4
123.11646	0.3
125.09639	0.4
127.03930	3.9
133.10172	0.4
145.04973	1.7
145.06578	0.3
147.11693	0.3
149.02351	100.0
150.02716	0.6
151.78253	0.3
157.10193	0.3
159.02934	1.3
159.39182	0.2
167.03395	2.0
190.05058	0.3
205.08612	9.2
219.06593	1.9
223.09653	1.6
225.09999	0.3
231.05067	0.9
237.07620	1.8
252.12994	0.2
267.02377	0.3
293.13843	22.7
311.14804	0.4
454.73642	0.3
461.62247	0.3
529.88953	0.3
541.19287	2.0
576.34344	0.6
577.12982	0.4
593.59308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01874	7.5
55.05512	22.8
57.03438	4.5
57.07070	9.8
60.83745	2.5
61.02925	3.5
64.71840	3.0
67.05506	46.2
69.03430	31.6
69.07079	39.2
70.04063	6.2
70.06604	3.4
71.04988	8.3
71.29645	5.0
73.02908	2.5
79.05505	20.3
81.03424	22.3
81.07061	100.0
83.04981	4.2
83.08633	26.5
85.02911	48.1
85.06515	4.4
87.00839	24.3
91.05478	12.1
92.95315	2.5
93.07046	35.2
95.04975	5.6
95.08613	94.3
97.02883	24.8
97.06535	5.8
97.10188	17.5
99.04456	8.8
105.01889	20.3
105.07039	19.0
107.08607	29.6
109.02877	18.0
109.10165	60.0
111.08059	5.5
111.11717	7.7
118.95348	2.6
119.08593	12.8
121.06544	3.0
121.10146	27.0
123.11727	31.0
125.13291	3.5
127.03944	32.1
133.10139	8.7
135.11670	21.3
137.09674	3.0
137.13269	15.8
143.08713	2.5
145.04970	11.9
145.10168	2.8
147.11734	7.0
149.13243	22.1
151.14806	8.3
155.08612	2.6
159.02872	4.6
161.13275	6.0
163.14806	14.3
165.16403	5.6
175.14845	5.8
177.16383	8.0
179.18005	3.5
189.16382	4.2
191.17992	7.7
193.19470	3.2
203.08446	2.9
203.18172	2.8
217.19560	6.6
229.08188	2.7
231.04961	6.1
236.30586	2.6
243.15497	2.8
244.93317	2.8
247.24298	2.8
254.94856	3.0
261.25558	3.8
273.25772	19.8
291.26849	17.7
297.27887	8.9
309.27887	20.0
327.28998	3.6
355.18994	3.2
403.95059	3.2
417.30008	5.2
523.02734	3.0
589.84167	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	575.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65149	3.1
53.03939	10.9
55.01867	8.9
55.05511	22.5
56.44503	3.1
57.03437	4.7
57.07074	8.5
61.02916	4.1
67.05508	46.4
68.99789	4.3
69.03428	33.2
69.07076	48.0
69.89810	15.5
70.06610	3.4
71.04997	8.7
71.08627	5.9
72.08160	5.7
73.02909	6.3
79.05499	29.9
81.03428	31.4
81.07063	100.0
83.04973	5.8
83.08624	23.6
85.02914	50.7
85.06539	5.3
87.00832	19.6
91.03949	5.5
91.05504	19.0
93.01212	2.9
93.07043	38.3
95.04970	10.4
95.08614	83.4
97.02893	29.2
97.06527	10.2
97.10172	15.8
99.04456	11.2
99.08049	4.2
101.90351	3.0
105.01873	20.8
105.07043	27.2
107.04950	5.5
107.08607	31.9
109.02914	22.0
109.06509	5.4
109.10174	45.8
111.04488	4.0
111.08095	7.7
111.11728	9.4
117.01872	3.9
117.07053	3.5
119.08599	20.3
121.06493	3.5
121.10150	29.5
123.11697	23.3
125.09601	5.2
127.03939	39.7
129.06960	3.1
131.08563	7.0
133.10147	12.8
135.11708	27.0
137.05917	3.0
137.09596	5.0
137.13235	10.6
143.08577	3.9
145.04927	9.0
145.06419	3.2
145.10081	9.8
145.11180	2.8
147.11688	15.4
149.09641	3.4
149.13272	23.0
151.14838	5.5
157.10063	7.2
159.02872	7.0
159.11696	7.0
161.13277	9.6
163.04021	3.7
163.14804	9.1
173.13275	3.8
177.16412	5.7
180.81740	3.4
187.14810	3.6
189.16248	3.1
191.17973	3.9
203.17970	4.0
217.19557	5.7
231.04990	5.8
253.09721	7.0
267.11380	7.4
268.11951	3.8
273.25845	15.7
291.26816	15.4
295.10675	13.5
296.11633	7.4
297.28046	4.5
309.28079	21.1
313.11908	6.0
327.28815	4.0
417.30139	3.3
436.18607	12.6
452.17987	8.5
453.85651	3.7
526.49988	3.4
533.71826	3.5
575.24799	5.1
575.32861	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	575.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43578	3.3
51.22301	3.4
53.03942	11.3
55.01884	7.4
55.05512	28.3
57.03440	6.0
57.07076	8.6
61.02932	5.3
62.13709	3.1
67.05507	57.8
69.03435	34.4
69.07069	50.4
69.44529	28.3
70.06601	8.3
71.04996	11.6
71.08640	6.0
72.08163	6.4
73.02929	7.2
79.05495	24.9
81.03425	33.8
81.07063	100.0
83.04993	5.5
83.08610	24.5
85.02911	52.2
85.06546	6.3
87.00825	20.1
91.05485	24.3
93.07043	44.0
95.04973	11.4
95.08610	88.8
97.02902	39.8
97.06525	18.1
97.10189	17.4
99.04457	9.6
105.01854	18.9
105.07047	25.5
107.08583	36.6
109.02895	29.3
109.06507	6.0
109.10152	56.9
109.10825	4.7
111.04426	5.8
111.08100	8.8
111.11750	6.1
117.07043	4.4
119.08578	19.9
121.06612	3.7
121.10126	27.0
123.04387	7.2
123.11702	26.8
125.09609	6.2
127.03918	35.3
131.08560	5.6
133.10132	15.8
135.11697	23.7
137.05939	3.7
137.09612	5.2
137.13290	11.7
139.11046	3.7
143.08598	3.5
144.30305	3.7
145.05002	7.6
145.10143	8.1
147.04440	9.2
147.11674	13.5
149.13232	21.4
151.14848	8.6
153.05580	3.7
157.10173	4.6
159.11664	7.4
161.13272	12.3
162.01115	3.6
163.14864	10.2
165.09109	3.9
171.11604	4.5
173.13242	4.3
175.14848	3.8
177.16389	7.6
189.16441	5.0
217.08327	3.7
232.01826	3.4
247.24435	4.5
253.09599	6.8
254.10570	6.0
268.12112	4.4
273.25754	13.7
275.20187	3.9
279.26926	4.0
291.26898	23.0
295.10767	12.5
296.11517	9.5
297.27930	4.3
309.27911	13.0
313.11642	4.4
347.93161	3.7
360.25659	3.7
436.18518	10.2
450.19308	4.0
452.18115	9.1
575.33325	11.3
595.38318	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	573.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.01866	8.9
55.05518	21.0
57.03432	6.5
57.07069	8.4
60.04516	4.9
61.02926	8.2
66.68665	2.8
67.05164	5.1
67.05507	49.3
69.03437	36.3
69.07076	39.1
70.06601	34.3
71.04980	9.9
71.06923	3.3
71.08639	4.6
71.22604	5.2
72.08160	7.3
73.02923	5.5
79.05505	27.8
81.03426	40.4
81.07065	97.5
82.60110	3.5
83.04991	8.3
83.08611	13.1
84.08139	8.1
85.02910	59.8
85.03690	3.4
85.06529	6.7
86.09702	20.2
87.00840	32.8
91.05500	27.8
92.32246	2.8
93.07055	47.2
95.04979	17.5
95.08611	100.0
97.02905	36.0
97.06550	8.0
97.10168	9.6
99.04461	12.1
105.01916	18.1
105.07040	39.6
107.04951	4.4
107.08596	38.9
109.02878	23.9
109.06532	7.9
109.10168	67.3
111.08105	5.7
111.11701	4.1
112.07612	3.4
116.07103	3.2
117.07018	8.0
119.04989	3.6
119.08598	29.7
120.08085	4.3
121.10147	38.2
121.52353	3.0
122.09647	3.3
123.08047	3.2
123.11717	25.1
127.03905	40.8
127.07561	4.7
131.08563	11.5
133.10136	32.0
135.11720	28.8
137.05949	5.4
137.09660	4.2
137.13286	8.5
139.11224	4.9
143.08548	6.1
145.04970	11.8
145.10139	19.3
147.04434	9.9
147.11707	21.8
149.13268	22.4
151.07549	5.4
151.14807	4.1
153.05409	5.2
155.10666	3.8
157.10146	3.4
159.02847	6.6
159.11700	12.7
161.13254	15.5
163.03911	3.5
163.14827	17.5
165.12753	5.0
167.07111	5.2
171.11714	3.2
173.13249	9.9
175.14838	11.0
177.16362	11.1
182.11279	3.3
185.13258	3.1
187.14833	3.6
189.16396	14.2
201.16447	6.2
213.03911	7.4
215.17986	9.4
231.05032	9.1
245.22650	5.5
259.24152	3.3
265.12891	3.5
267.10443	4.2
271.24200	13.7
274.12988	3.8
277.25397	4.3
289.25241	17.8
307.26361	15.1
325.27380	7.8
360.62051	3.2
371.19226	5.9
380.32916	3.2
490.37189	3.6
501.28177	4.3
511.64606	3.3
522.67041	3.2
557.90430	3.3
573.25293	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	573.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87767	3.2
53.03939	11.4
55.01872	9.4
55.05510	20.1
57.03432	7.8
57.07060	12.1
59.47397	2.9
61.02939	4.3
65.03951	4.1
67.05509	47.0
67.91489	3.3
69.03428	37.4
69.06721	4.0
69.07067	42.7
69.64013	7.2
69.64423	13.1
70.06594	29.0
71.04991	9.5
72.08154	8.3
73.02906	6.5
79.05496	30.2
79.74852	3.4
81.03428	35.0
81.07063	99.1
83.04976	13.8
83.08630	16.2
85.02913	75.2
85.06535	4.8
87.00836	29.2
91.05490	28.8
93.07052	55.6
95.04961	13.9
95.08617	100.0
97.02899	45.7
97.06549	10.3
97.10167	11.6
98.03266	3.4
99.04463	10.5
99.08083	4.6
105.01861	28.1
105.07050	35.4
105.13232	3.6
107.04925	4.9
107.08608	48.9
109.02897	27.2
109.06518	5.0
109.10164	68.1
111.08079	8.7
111.11708	11.2
116.07069	3.7
117.07017	3.7
119.04884	4.5
119.08597	35.6
121.06466	3.6
121.10152	45.6
122.93176	3.1
123.04439	3.7
123.08086	3.9
123.11727	35.7
125.09631	5.0
127.03919	47.1
131.08571	9.3
133.10136	23.7
135.08089	3.3
135.11684	38.6
137.09639	6.4
137.13298	21.6
139.11229	5.1
145.04947	13.3
145.10104	16.6
147.04419	10.8
147.11708	20.6
149.13301	25.0
151.11208	3.6
155.10664	5.4
159.02972	15.2
159.11716	10.8
161.13216	16.8
163.03896	7.7
163.11156	3.8
163.14815	15.3
165.12717	4.6
167.07051	5.2
171.11732	4.6
173.09691	3.7
173.13272	8.5
174.77702	3.3
175.14822	10.3
177.05432	4.5
177.16396	20.2
179.14301	5.4
187.05956	3.7
187.14809	4.3
189.16383	10.8
191.17989	7.1
196.09952	9.2
201.16394	5.7
203.18002	7.3
207.17374	3.8
215.13934	3.2
215.18034	7.3
225.13861	9.8
225.85283	3.4
231.05037	8.1
239.11717	4.2
253.13345	4.3
271.14340	3.3
271.24200	13.7
277.25278	5.1
279.98300	3.5
289.25244	24.5
289.45761	3.4
307.26190	20.3
325.07196	19.4
325.27274	12.6
399.02255	3.9
573.27393	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33494	1.5
51.40261	1.7
53.03944	8.0
55.01876	8.5
55.05308	1.9
55.05513	18.7
57.03425	6.7
57.07069	6.7
59.05001	1.7
61.02918	5.2
65.03920	4.3
67.05508	55.1
68.99773	2.3
69.03434	28.9
69.06723	2.6
69.07074	35.3
70.06257	1.8
70.06598	28.0
71.04978	7.1
71.06911	3.5
71.55829	2.0
72.08154	8.2
73.02904	6.8
79.05496	30.4
81.03420	27.1
81.07064	96.6
82.06564	5.2
83.04974	5.0
83.08617	13.6
84.04501	1.8
84.08150	3.3
85.02909	58.7
85.06541	3.6
85.10208	1.8
86.09698	4.2
87.00828	24.7
91.03962	3.4
91.05487	27.6
93.07050	61.6
93.07635	4.0
95.04988	12.2
95.08611	100.0
95.75032	1.7
97.02896	28.3
97.06522	5.6
97.10184	9.9
99.04485	10.5
99.08099	2.5
103.05433	2.0
105.01877	16.2
105.06384	2.9
105.07036	39.9
107.04941	2.4
107.08604	52.6
109.02898	18.9
109.06509	6.7
109.10167	80.4
111.04433	3.2
111.08063	4.6
111.11720	6.8
112.07614	1.8
113.12277	1.6
116.07111	13.0
117.01839	2.5
117.06949	3.3
119.07782	2.7
119.08590	31.9
120.08079	4.1
121.06487	3.7
121.10149	46.0
123.04401	2.0
123.08044	3.2
123.11720	23.9
125.06011	2.3
125.09635	2.2
127.03918	36.8
127.07556	2.0
128.06242	2.6
128.07092	22.4
129.01801	2.0
129.06993	3.2
131.04903	1.8
131.08589	12.8
133.10120	30.2
135.04469	2.0
135.08080	2.7
135.11708	36.5
136.07527	2.1
137.05974	4.7
137.09624	10.3
137.13239	6.0
138.05458	1.8
139.11177	6.4
143.08527	2.9
145.04945	7.2
145.10115	19.0
147.04422	3.7
147.07986	2.4
147.11690	24.2
149.09564	2.3
149.13272	31.2
151.07513	2.5
151.11234	3.9
151.14796	5.6
153.05434	3.5
155.10648	3.4
157.10130	3.1
159.02922	8.0
159.11702	18.2
161.09589	2.3
161.13264	12.6
163.03853	2.5
163.07494	2.3
163.11115	2.3
163.14801	17.8
165.12738	4.1
165.16325	1.9
167.07072	3.4
167.08534	2.0
167.14301	2.6
171.11693	2.8
173.09610	3.0
173.13260	9.8
175.14819	14.3
177.05515	2.1
177.16420	9.2
179.14301	3.2
187.14833	8.0
189.04033	2.1
189.16434	10.0
201.16379	4.6
215.17894	8.9
229.19514	1.9
231.04982	4.5
243.21024	2.1
245.22690	2.8
249.06073	2.5
259.24265	4.8
263.23785	2.9
271.24243	23.9
277.25238	7.1
289.25238	18.5
295.26425	1.7
300.09583	3.9
307.18985	1.9
307.26309	13.8
309.70016	1.7
325.27435	4.1
573.25293	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	573.3037
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03942	1.1
55.01873	1.2
55.05519	5.4
57.03439	6.3
57.07082	24.4
58.29319	0.6
60.09015	0.6
67.05509	13.0
68.45407	0.6
69.03419	0.8
69.07072	7.3
71.04977	0.8
71.08636	18.5
71.56689	0.9
75.04453	1.0
79.05495	5.8
81.03429	4.7
81.07067	12.1
83.05006	1.0
83.08616	7.6
85.02895	0.9
85.06542	1.1
85.10188	11.0
91.05475	4.4
93.07058	6.9
95.04973	0.8
95.08611	16.0
97.06527	2.0
97.10174	3.4
98.98473	29.5
99.11717	0.9
103.40342	0.7
105.07034	4.4
107.04936	1.0
107.08593	3.6
107.81246	0.6
109.02865	3.9
109.10159	6.9
111.11705	0.9
117.07053	1.8
119.08585	3.2
121.10155	2.2
122.35990	0.8
123.11708	2.6
129.07007	1.0
131.08553	1.7
133.10139	2.1
135.11671	2.0
137.13271	1.7
143.08586	0.7
145.10042	1.5
147.11662	1.1
149.09599	0.8
155.01051	24.2
155.08521	1.1
157.10161	1.1
159.11720	1.0
169.10190	0.9
171.11684	0.8
173.02155	2.3
173.13280	1.8
181.10152	1.0
183.11656	0.7
195.11632	0.8
219.17546	0.8
239.23729	5.0
248.83537	0.8
257.19012	1.0
261.03644	1.7
261.22153	0.7
275.20117	2.1
281.17374	1.3
293.21103	0.7
313.27386	100.0
314.27832	1.7
317.06281	3.4
327.23361	1.1
335.07272	3.1
383.27939	1.3
393.23904	4.1
401.28931	2.8
457.07172	0.7
459.60086	0.7
537.28363	2.0
555.36847	1.8
573.37927	2.4
573.48401	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	572.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.7
57.07076	2.6
59.04996	1.1
63.58131	1.1
67.05504	4.9
69.07068	4.8
70.06596	66.1
71.04974	1.0
71.08637	2.7
71.56915	1.3
72.00370	0.9
73.56216	1.0
79.05496	3.3
81.07066	6.8
83.08627	2.9
89.06042	1.9
91.05495	3.4
93.07047	7.1
95.04955	1.4
95.08617	12.4
97.10163	1.3
105.07034	4.8
107.08606	8.0
109.10175	7.5
110.69233	1.1
111.72328	1.2
115.07278	1.0
116.07101	100.0
119.08585	6.7
121.10181	6.0
123.11712	4.5
131.08583	1.5
133.08624	1.3
133.10112	5.7
135.11713	4.6
138.53775	1.1
143.08559	1.3
145.10072	1.7
147.11743	3.5
149.13338	2.3
153.09172	1.1
159.11719	4.7
161.13304	2.4
163.14809	1.7
167.10645	1.3
171.11736	1.2
173.13321	2.2
175.14932	1.2
177.16451	1.7
181.12312	1.2
183.11462	1.2
189.16553	1.4
201.16510	1.2
203.17993	1.7
207.17482	1.8
213.16331	1.1
215.17998	1.3
223.16916	2.5
280.82523	1.2
363.05994	1.2
405.67252	1.2
420.99863	1.3
439.35629	4.3
457.36768	8.6
477.91299	1.2
532.02423	1.2
536.47437	1.1
537.28925	1.3
546.37384	1.3
566.91223	2.1
572.45935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05509	4.3
57.07081	48.0
58.07417	0.9
59.05008	19.5
60.50725	1.0
65.88865	0.9
67.05519	5.2
69.03414	1.6
69.07063	4.3
70.06592	1.1
70.62167	3.0
71.05038	0.9
71.08637	97.6
73.06577	1.8
76.05698	1.0
79.05470	6.3
80.05817	1.3
81.03451	1.2
81.07043	5.3
83.08640	2.2
85.10190	48.4
87.04472	9.8
89.06039	100.0
91.05476	3.8
92.15929	1.0
93.07034	3.5
95.04961	1.6
95.08614	3.5
97.06545	1.1
97.10166	2.7
103.07581	5.7
105.07049	3.6
106.07349	1.4
107.05006	1.7
107.07085	3.1
107.08600	2.1
109.10181	2.2
117.09152	3.2
119.06034	1.0
119.08611	1.2
123.61981	0.9
127.14835	6.9
128.06250	1.1
130.08684	2.6
131.07042	4.3
133.08614	73.1
137.85158	0.9
145.10153	1.4
147.11842	1.4
153.88658	0.9
157.87425	1.2
161.09659	1.0
161.11761	1.1
171.11765	1.2
175.09712	5.0
177.11235	31.8
185.19040	9.2
186.49615	0.9
219.12318	1.3
221.13733	5.5
229.21704	5.5
230.08728	1.1
239.14897	1.9
283.17563	3.4
291.19574	2.2
292.19891	3.7
327.20181	3.9
371.22766	16.0
411.25452	1.3
415.25491	1.2
555.40900	2.3
572.36298	10.5
572.43750	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	572.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	19.4
54.63367	6.6
55.01865	12.8
55.05510	48.5
57.03435	17.7
57.07071	7.3
57.71718	6.2
65.03943	10.2
67.05511	85.6
69.03423	36.0
69.07074	46.2
70.06593	10.4
71.04985	17.4
71.55766	8.8
72.08127	6.9
74.40133	7.0
76.01160	8.8
79.02900	6.8
79.05494	87.2
81.03415	74.7
81.07053	100.0
82.07375	6.5
83.04975	18.2
83.08616	28.8
84.61174	6.8
85.02877	19.1
85.06526	7.0
91.05483	78.2
93.07047	82.4
95.04957	27.0
95.08619	47.6
97.02879	22.6
97.06517	23.4
97.10141	12.4
99.04460	11.0
105.07027	64.0
107.04950	24.9
107.08595	47.4
109.02886	34.2
109.06497	14.8
109.10137	26.5
111.04424	13.7
111.08073	18.6
115.04018	7.0
117.07034	32.4
119.08583	42.7
121.06489	13.5
121.10108	34.2
123.08041	17.5
127.03902	30.7
129.06973	22.8
131.04973	7.1
131.08588	34.4
133.06488	10.5
133.10149	49.7
135.08034	19.4
135.11714	38.0
137.09630	17.2
141.06841	8.8
143.08470	13.5
145.06439	8.0
145.10150	36.8
147.11653	18.3
149.09586	26.6
149.13234	14.5
151.07584	7.3
157.10078	9.3
159.11728	27.3
160.09288	7.7
161.09625	7.6
161.13268	8.6
163.11176	12.7
169.10112	7.8
171.11580	9.9
173.13278	8.1
175.11093	9.4
181.12285	33.9
183.11702	8.8
185.13193	7.7
195.13828	23.6
197.13298	9.2
257.18951	13.4
275.20050	60.6
291.19498	13.4
292.19754	16.3
303.15948	12.6
307.15057	8.8
313.07727	6.7
321.17020	13.4
337.26712	7.7
339.17996	19.6
356.50589	5.9
365.21063	7.5
401.23184	10.5
419.24194	21.5
441.09473	7.7
572.36566	11.0
572.47333	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	571.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.4
53.73423	2.7
55.01874	23.2
55.05272	3.4
55.05518	44.4
57.07068	3.7
58.03161	3.1
65.03954	5.1
67.05512	77.7
69.03434	3.9
69.07073	56.2
70.61386	4.9
70.61729	6.5
71.04990	7.4
79.05499	44.6
81.07068	77.9
83.04977	9.0
83.08629	25.0
85.06541	3.8
91.05487	43.5
93.07052	62.0
95.04963	5.8
95.08611	70.9
97.06544	28.8
97.10188	17.1
99.08092	3.5
103.38416	3.7
105.07043	59.7
107.05000	3.6
107.08607	46.6
109.06563	4.4
109.10172	35.7
117.07024	32.3
119.08582	48.4
121.10137	26.6
123.08105	6.3
123.11716	9.3
125.09669	16.9
128.06213	4.2
129.07027	18.1
131.08583	41.2
133.10130	36.6
135.08089	4.3
135.11737	20.4
137.09599	5.6
137.13290	3.8
141.07018	8.9
142.07787	3.7
143.08592	24.7
145.10138	42.6
147.11678	24.1
149.09627	3.7
149.13248	10.5
155.08557	11.9
157.10089	22.6
159.11688	35.9
161.13295	17.4
163.11234	4.6
167.08568	4.1
169.10181	16.2
171.11690	25.8
173.13280	18.4
175.14859	6.7
181.10065	7.2
183.11711	15.0
185.13264	17.9
187.14822	11.5
189.11211	5.8
189.12770	4.3
189.16422	3.1
195.11711	6.1
195.13687	4.2
197.13280	11.4
199.14865	14.3
201.16335	4.5
209.13295	6.6
211.14825	5.7
213.16580	5.2
221.13333	3.2
223.14873	5.7
225.16516	5.3
227.17947	4.3
229.19629	5.8
239.17926	4.0
263.20096	4.5
269.18832	3.4
275.20084	5.3
277.21646	12.0
279.23367	6.8
283.20505	3.3
289.21719	6.3
299.23715	3.4
301.21634	5.7
303.23221	6.2
311.23477	3.3
313.21481	4.6
315.23279	4.7
317.25012	6.0
327.23166	6.0
329.24826	6.7
341.24878	5.6
355.26254	4.1
357.27917	4.5
359.29556	4.3
383.29376	6.4
385.31018	12.2
399.32516	3.7
423.32663	14.8
439.35922	4.9
441.33627	11.3
447.34192	4.4
457.36832	4.3
459.34702	66.8
473.36111	7.9
513.39398	7.4
517.40497	10.9
535.41449	27.6
536.41870	3.9
553.42517	100.0
554.42737	4.5
571.43506	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	19.4
54.63367	6.6
55.01865	12.8
55.05510	48.5
57.03435	17.7
57.07071	7.3
57.71718	6.2
65.03943	10.2
67.05511	85.6
69.03423	36.0
69.07074	46.2
70.06593	10.4
71.04985	17.4
71.55766	8.8
72.08127	6.9
74.40133	7.0
76.01160	8.8
79.02900	6.8
79.05494	87.2
81.03415	74.7
81.07053	100.0
82.07375	6.5
83.04975	18.2
83.08616	28.8
84.61174	6.8
85.02877	19.1
85.06526	7.0
91.05483	78.2
93.07047	82.4
95.04957	27.0
95.08619	47.6
97.02879	22.6
97.06517	23.4
97.10141	12.4
99.04460	11.0
105.07027	64.0
107.04950	24.9
107.08595	47.4
109.02886	34.2
109.06497	14.8
109.10137	26.5
111.04424	13.7
111.08073	18.6
115.04018	7.0
117.07034	32.4
119.08583	42.7
121.06489	13.5
121.10108	34.2
123.08041	17.5
127.03902	30.7
129.06973	22.8
131.04973	7.1
131.08588	34.4
133.06488	10.5
133.10149	49.7
135.08034	19.4
135.11714	38.0
137.09630	17.2
141.06841	8.8
143.08470	13.5
145.06439	8.0
145.10150	36.8
147.11653	18.3
149.09586	26.6
149.13234	14.5
151.07584	7.3
157.10078	9.3
159.11728	27.3
160.09288	7.7
161.09625	7.6
161.13268	8.6
163.11176	12.7
169.10112	7.8
171.11580	9.9
173.13278	8.1
175.11093	9.4
181.12285	33.9
183.11702	8.8
185.13193	7.7
195.13828	23.6
197.13298	9.2
257.18951	13.4
275.20050	60.6
291.19498	13.4
292.19754	16.3
303.15948	12.6
307.15057	8.8
313.07727	6.7
321.17020	13.4
337.26712	7.7
339.17996	19.6
356.50589	5.9
365.21063	7.5
401.23184	10.5
419.24194	21.5
441.09473	7.7
572.36566	11.0
572.47333	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	571.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
55.01861	19.5
55.05515	58.8
57.37159	4.3
62.30984	4.4
66.18197	4.7
67.05503	93.9
69.03430	7.9
69.07067	45.1
69.29237	43.4
70.72997	3.9
71.04998	9.4
79.05492	51.8
81.03413	9.1
81.07054	94.2
83.04985	9.4
83.08617	37.9
85.02914	5.7
85.06519	7.1
91.05476	57.3
93.07047	76.0
95.04959	6.6
95.08610	69.2
97.06535	17.3
97.10178	37.7
105.07037	70.1
107.08588	48.8
108.08700	4.2
109.10155	46.3
111.08049	7.6
115.05448	4.9
117.07021	51.8
119.08588	63.5
121.10149	34.3
123.08088	10.8
123.11730	8.8
125.09637	23.2
128.06244	7.0
129.07024	19.6
131.08572	69.5
133.10144	40.4
135.11687	18.9
137.13318	6.6
142.07791	6.7
143.08586	24.4
145.10127	73.4
146.70534	5.8
147.11705	25.3
149.09618	5.9
149.13271	12.3
155.08563	12.4
157.10178	25.2
159.11707	60.3
161.13246	12.4
163.11211	4.5
163.14766	4.7
169.10124	12.9
171.11656	26.2
173.13252	30.6
175.14796	6.1
181.10150	5.5
182.10931	4.4
183.11685	10.4
185.13199	25.4
187.13358	4.4
187.14848	20.5
189.11211	12.6
189.16428	4.6
195.11803	7.3
197.13306	12.4
199.14839	12.4
201.16249	5.9
209.13281	7.1
211.14865	10.6
213.16447	9.6
215.17938	10.0
227.17931	8.3
229.19543	9.8
232.02190	4.4
241.19463	5.8
243.20955	4.8
248.86211	4.2
275.20148	8.1
277.21655	8.0
303.23065	6.8
315.23203	10.0
367.30127	12.7
383.33261	6.3
385.31052	100.0
399.32507	6.5
423.32587	5.4
459.34763	16.7
513.39441	9.7
517.40179	15.3
535.41199	23.0
553.42590	78.7
565.90680	8.2
571.35492	6.3
571.43512	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05095	1.2
52.50488	1.2
52.90312	1.1
52.90578	1.3
55.05513	7.9
57.03416	2.5
57.07077	100.0
58.04219	6.3
59.05004	33.9
67.05518	9.1
69.07072	6.8
69.25268	13.1
71.04971	1.7
71.08631	74.3
72.05771	4.3
73.02914	2.9
73.05288	1.4
73.06566	6.5
77.36880	1.0
79.05487	6.4
81.07050	11.7
83.08641	6.4
85.06528	1.7
85.10185	62.0
86.07336	1.9
87.04469	6.8
87.08089	2.6
88.05225	1.9
89.06035	13.1
90.01918	23.8
91.05485	6.6
93.07054	9.7
95.08600	7.6
97.10163	4.0
98.21603	2.1
99.11742	11.6
101.05994	1.5
101.09665	2.6
103.07562	6.9
105.07032	8.5
107.08584	7.4
109.06486	1.3
109.10172	3.6
111.11698	1.4
113.13298	3.6
116.08344	2.3
117.09135	12.0
119.08567	8.1
121.10152	5.1
123.08070	2.4
123.11728	1.6
129.06944	1.6
131.08572	2.9
133.08603	6.5
133.10143	5.4
135.11691	2.3
140.09979	1.2
141.16287	1.1
142.07831	1.3
145.10130	5.2
147.11673	2.9
152.15591	2.8
155.17935	8.8
157.10097	3.7
159.11659	1.8
161.13248	2.9
165.09129	1.9
171.11650	2.3
173.13271	2.4
177.11270	2.3
178.07112	4.3
179.12804	2.2
179.28146	1.1
180.85971	1.3
183.17482	3.1
207.12086	1.4
213.22174	11.1
221.15335	3.6
222.09691	3.8
234.89941	1.7
237.16887	2.9
259.20547	1.7
266.12390	2.1
266.89105	1.5
267.18149	2.6
271.26315	4.1
276.90942	2.6
284.13449	4.7
299.01672	1.8
331.92877	2.0
338.36255	1.4
342.17712	1.6
385.27097	1.6
420.36841	7.4
464.39569	1.4
480.38733	1.4
565.90936	4.1
571.40100	2.1
571.47180	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	571.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52534	2.0
53.59783	2.1
55.05500	5.8
57.03436	2.7
57.07080	91.4
58.04194	7.7
59.05004	69.0
64.63601	2.0
67.05492	8.8
69.07066	6.2
71.08636	100.0
71.56590	3.6
72.05772	4.3
73.02912	5.6
76.18366	2.2
79.05478	5.6
81.07046	7.7
83.08616	7.7
84.10894	2.1
85.06534	2.2
85.10187	91.3
86.07306	4.3
87.04470	7.3
87.08128	3.3
88.05238	3.1
89.06030	13.2
90.01422	2.0
90.01923	29.2
91.05469	6.2
93.07047	3.2
95.08597	8.3
97.10149	5.5
99.11723	14.8
101.09642	6.2
103.07595	2.7
105.07024	6.1
107.08634	3.2
109.10163	4.1
117.09151	19.2
119.08587	5.2
121.10129	4.2
131.08499	3.1
133.08578	8.0
135.11668	2.4
137.54854	1.9
141.16389	7.8
145.10132	3.7
159.11647	3.0
165.09026	2.9
169.15852	4.8
177.11194	2.9
196.94627	1.9
199.20609	19.4
221.15523	4.9
222.09705	7.1
225.88303	2.6
251.18533	2.8
257.24750	17.9
265.10910	2.7
276.91077	3.0
278.56143	2.6
356.83694	2.1
364.91107	2.1
420.36917	7.1
471.51544	2.5
565.91235	10.7
571.47626	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	571.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.7
59.78158	0.3
65.03949	0.3
66.80028	0.3
67.05498	0.7
68.05035	3.8
69.03428	0.9
69.05817	6.9
69.07082	0.4
69.63625	0.8
69.64041	1.0
70.06594	2.1
72.08148	0.5
79.05474	0.4
81.03399	0.9
81.07043	1.2
84.08150	0.5
85.02911	0.7
88.12411	0.3
88.89716	0.3
91.05471	1.2
93.07044	2.6
95.04974	1.3
95.08610	0.7
96.04507	0.4
97.02892	0.7
97.06510	0.4
103.05481	7.4
103.06164	0.7
105.07015	1.0
107.04977	0.4
107.08597	0.5
109.10194	0.8
115.40417	0.3
119.04932	0.3
119.08591	0.6
120.08112	100.0
121.06500	0.3
121.08430	0.6
121.25985	0.3
123.08079	0.4
124.03963	7.8
127.03942	1.0
128.07098	0.6
130.06537	0.3
131.04912	0.6
132.08067	0.7
133.06482	0.7
133.10129	0.4
136.07529	0.6
136.32382	0.3
137.06062	0.4
145.06578	0.4
146.06052	0.6
147.04414	0.5
147.08051	0.4
151.03889	0.4
152.05843	0.4
157.06497	0.6
158.07248	0.5
159.08061	0.8
161.05991	8.1
165.05527	0.5
170.09660	0.6
171.08128	0.6
171.10442	5.3
172.11215	1.1
174.09154	8.7
182.08107	0.7
185.05971	0.8
186.07721	0.3
186.09180	1.4
187.09850	0.4
187.12314	0.6
190.08722	0.5
197.66177	0.3
203.07048	14.0
203.11795	3.5
204.10173	0.3
211.61057	0.3
214.08673	0.4
215.11879	0.7
220.09703	25.3
221.10106	0.4
232.09718	3.9
243.11331	2.4
249.12360	16.3
250.01584	0.3
250.12743	0.4
258.37585	0.4
305.16669	0.3
305.24835	0.5
321.15601	0.3
329.15128	0.4
350.18677	1.0
351.16937	1.0
367.16681	1.6
378.18091	1.2
379.16531	0.5
396.19202	12.8
424.18683	65.0
425.19019	1.2
522.94635	0.4
543.26776	0.4
571.25568	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	571.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	14.4
55.01860	12.8
55.05506	27.5
57.02032	2.7
57.03452	6.3
57.07080	7.1
59.04977	3.9
61.02927	8.9
65.03926	4.4
67.05183	4.2
67.05511	51.8
68.99791	5.8
69.03082	3.7
69.03434	60.2
69.06730	4.1
69.07072	66.2
70.06593	23.9
71.04990	13.1
71.55753	4.9
72.08160	7.6
73.02897	8.1
79.05500	26.0
81.03427	56.4
81.07063	98.5
83.04977	12.8
83.08193	2.8
83.08607	18.2
84.08163	4.9
85.02905	100.0
85.06532	10.4
86.09709	4.7
87.00387	3.0
87.00840	31.4
87.04437	5.0
91.05470	28.5
93.07054	45.4
95.04977	19.0
95.08615	86.3
97.02913	44.5
97.06549	27.1
97.10174	9.0
99.04460	17.9
99.08109	7.2
105.01849	18.6
105.07042	44.9
107.04929	6.9
107.08604	46.9
107.81660	3.5
108.73530	3.3
109.02892	42.4
109.06501	12.7
109.10167	69.2
111.08073	7.5
111.11707	10.4
115.03941	4.8
117.01888	4.3
117.07050	5.8
119.04977	3.3
119.08605	34.1
120.08128	10.1
121.06470	5.0
121.10159	40.2
123.04435	4.8
123.08060	11.4
123.08900	3.6
123.11694	29.1
125.06007	4.2
125.09638	9.5
127.03928	63.9
128.06174	4.2
128.07076	7.3
129.07024	4.9
131.08548	13.1
133.10139	37.8
135.04349	3.6
135.08105	7.5
135.11740	19.7
137.09636	8.2
137.13249	9.4
139.11172	9.1
143.08601	5.3
145.05003	17.7
145.06519	4.0
145.10153	18.3
147.02800	3.4
147.04369	9.1
147.08061	3.2
147.11665	34.5
148.12033	3.3
149.09608	8.4
149.13272	23.5
157.10104	11.2
159.02869	11.8
159.08006	4.4
159.11703	17.7
161.09666	6.2
161.13274	16.9
163.11256	4.7
163.14827	3.6
165.12737	9.9
167.07051	3.9
171.11716	8.6
173.13243	13.7
175.11127	3.7
175.14832	6.0
177.12787	5.9
177.16411	6.9
179.14368	4.0
179.17908	3.8
185.13252	5.1
187.14853	4.8
189.16348	20.3
191.18079	5.2
199.06299	4.4
199.14809	6.6
199.55429	3.5
201.16478	5.7
203.17886	7.0
207.17430	9.9
213.16336	8.1
229.14310	8.5
230.14606	4.4
231.05008	8.2
239.11897	4.2
253.13411	3.6
259.20609	12.0
259.23981	3.2
269.22668	14.3
287.23657	13.0
305.24698	13.1
323.25876	9.0
337.16751	5.3
338.16760	5.0
356.17999	7.6
424.18402	5.1
571.39154	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	569.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49045	5.0
55.01865	11.2
55.05515	24.2
57.41105	4.5
59.26747	4.6
60.24777	4.5
65.03931	4.9
67.05504	34.7
67.19035	4.9
68.26810	5.0
69.07082	27.9
69.81187	16.2
69.81608	14.6
70.06599	5.7
70.82838	4.8
71.01357	31.7
72.08198	5.5
75.04461	6.7
79.05479	30.1
80.70830	4.2
81.07066	64.1
83.08604	13.6
85.02921	36.4
88.80491	4.5
91.05483	33.0
93.07052	42.7
95.04942	7.3
95.08057	8.0
95.08614	100.0
97.02888	6.9
97.10154	17.6
98.20825	8.2
101.02381	58.5
105.07024	44.0
107.08594	68.1
109.10168	76.0
111.11690	12.4
119.08595	57.3
121.10159	47.5
123.08159	7.2
123.11718	30.5
127.03908	17.1
131.08575	8.9
133.10147	58.9
135.11707	54.1
145.04970	66.7
145.10143	18.7
147.11700	40.0
149.13269	22.2
159.11690	15.8
161.13235	41.7
163.14825	21.4
168.01018	4.7
173.13251	11.0
175.14818	31.2
177.16380	33.0
179.14334	6.1
184.70418	5.7
187.14781	6.7
189.16385	52.7
191.17944	23.8
201.16368	7.4
203.17990	32.9
205.19510	17.2
207.17480	48.4
215.17961	14.8
217.19551	52.3
229.19504	12.7
231.21080	8.1
243.20998	8.4
245.22702	10.4
269.22458	5.7
271.24216	9.4
297.25854	9.4
315.26791	5.2
365.31915	8.2
407.36685	36.5
425.37860	45.3
482.47974	5.6
511.24194	5.4
524.38324	4.7
550.84845	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	570.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01867	3.7
55.05501	7.2
57.03423	6.0
63.16730	1.8
65.03931	3.0
67.05503	22.7
69.03432	28.4
69.07081	12.7
70.06590	17.9
70.08040	2.0
71.04980	5.5
71.55869	2.6
72.08152	5.2
77.03905	1.8
79.05483	9.2
81.03419	25.9
81.07057	61.4
82.06584	3.8
83.04977	5.8
83.08624	7.5
84.08104	3.9
85.02903	33.1
85.06540	4.0
86.09708	2.3
86.11691	1.8
91.05492	19.8
93.07033	14.7
95.04984	5.1
95.08605	14.1
96.05247	2.0
97.02893	31.4
97.06523	6.3
97.10181	2.3
98.04305	2.0
99.04452	7.7
99.08102	2.8
101.02405	2.5
101.43703	2.0
103.05457	2.9
105.07037	33.9
106.06596	3.6
107.04957	4.6
107.08574	13.8
109.02892	19.4
109.06531	5.7
109.10134	4.6
109.58440	1.8
111.04386	2.5
113.06040	3.2
119.04938	2.5
119.08584	27.0
120.08118	3.8
121.10152	22.6
123.04503	2.7
123.08089	3.3
123.11708	27.6
125.09595	2.6
127.03925	49.5
127.07578	3.9
128.07077	17.5
131.04927	9.2
131.08554	2.1
133.10100	8.3
135.04431	2.0
137.05972	4.9
137.13263	2.5
139.11162	1.9
145.04985	11.6
145.10107	3.1
147.04440	10.3
147.11691	80.2
148.07579	4.1
149.05988	2.6
157.10100	3.0
165.12767	48.3
167.07062	3.9
175.11157	4.4
177.05551	3.2
181.04909	2.2
183.13806	11.9
190.08733	2.4
193.12328	12.4
198.07701	2.3
211.13339	8.5
229.14355	100.0
272.20056	2.2
304.42361	1.9
309.16882	3.3
319.15521	12.0
337.16455	68.1
355.17587	45.2
373.18729	19.9
570.19806	4.4
570.32953	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	571.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84052	1.0
69.28571	10.8
73.32717	1.1
81.03431	1.3
82.99853	2.4
85.02908	2.0
89.00909	1.1
93.46413	1.0
97.02942	2.1
101.00877	11.4
103.02481	1.2
113.00896	1.5
119.01926	25.2
127.02421	2.4
127.03944	1.7
131.01903	11.1
133.03467	4.7
137.02911	1.9
139.02417	2.2
143.01903	26.5
145.03493	13.8
145.13046	1.2
147.01390	2.1
149.01277	1.1
155.01898	17.4
156.03677	1.8
157.03461	8.2
161.02968	31.1
163.04147	1.1
167.00598	1.5
167.01894	8.2
168.99849	3.5
169.03543	3.1
171.01350	1.4
171.05022	2.8
173.02979	28.1
175.04544	2.3
177.02455	1.3
177.05504	2.0
177.43912	1.1
179.01936	3.7
181.03540	1.1
185.02963	44.4
187.00906	4.0
187.04547	5.4
189.02582	1.6
191.04045	2.1
196.99319	1.1
197.02989	17.9
197.54147	1.3
199.00908	2.8
199.04494	2.2
201.02458	2.7
203.04031	12.3
213.02466	2.3
215.00449	4.0
215.04062	8.8
217.01956	5.2
219.03514	1.9
221.03069	1.3
221.05122	1.7
223.74529	1.3
227.04100	10.6
228.05762	2.1
229.02014	2.1
231.03557	3.6
245.05092	100.0
246.05258	2.3
247.02957	4.4
257.05099	6.9
259.03040	3.1
263.06110	12.3
271.02951	2.5
275.02805	2.2
275.06146	12.6
289.04041	10.0
293.07123	3.1
299.02542	2.1
301.04016	3.3
305.07175	8.7
307.05081	9.0
319.05084	4.2
321.06427	1.8
327.98199	1.6
331.05167	5.3
333.06775	2.4
335.08252	5.2
343.05203	1.4
349.06143	11.2
359.04492	3.0
361.06039	1.9
365.09348	17.4
377.05826	2.4
391.07214	6.1
409.08270	3.8
420.64090	1.3
511.11179	4.1
539.10840	5.0
571.13251	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	569.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27518	6.9
53.70111	7.9
55.01871	14.6
55.05519	20.8
61.18624	6.7
67.05515	30.5
69.07072	23.8
70.61613	19.9
71.01364	38.5
72.08150	9.8
75.68195	7.3
79.05486	24.1
81.07063	43.0
83.08633	15.6
85.02906	38.2
88.81931	6.7
91.05490	26.6
93.07033	42.4
95.08613	100.0
97.10168	16.7
101.02379	69.3
105.07023	35.1
107.08591	60.6
109.10156	89.1
111.08031	7.1
119.08586	68.4
121.10176	45.8
123.11732	28.7
124.98895	8.4
127.03906	18.6
131.08572	15.8
133.10141	63.8
135.11702	60.6
137.13264	11.0
139.11298	8.4
139.14702	7.4
145.04958	85.7
145.10187	17.4
147.11711	33.1
149.13245	35.7
154.12991	7.3
159.11723	22.6
161.13254	37.3
163.14821	26.8
173.13275	17.4
175.14891	40.1
177.16389	20.6
187.14876	12.8
189.16376	40.5
191.18036	24.5
203.17970	28.3
205.19522	14.4
207.17479	48.3
215.18024	13.0
217.19504	54.3
229.19568	7.7
231.21130	10.6
231.87894	8.0
243.21150	10.5
245.22636	14.7
257.22659	14.1
271.24255	13.8
315.26901	7.7
407.36926	39.0
425.37921	47.8
569.30121	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	569.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01862	4.1
55.05516	39.5
55.23708	3.3
57.03431	3.1
57.07063	9.2
63.08544	3.2
67.05173	3.7
67.05511	53.0
69.07075	20.7
69.87186	10.3
69.87592	5.3
70.06635	3.1
71.04986	4.9
78.14392	2.8
79.05499	40.3
81.03404	5.2
81.07060	47.9
83.04974	6.5
83.08622	28.3
91.05489	52.4
93.07047	56.6
95.04974	29.7
95.08617	31.4
97.06535	9.0
97.10159	9.5
98.20750	5.6
105.07034	52.0
107.04935	11.7
107.08597	32.7
109.06505	7.8
109.10175	19.1
111.08069	4.5
114.92876	2.8
117.07032	18.8
119.08582	47.4
121.06494	5.2
121.10156	28.4
123.08061	4.5
123.11708	4.6
125.09637	6.8
129.06990	7.8
131.08556	24.2
133.10139	43.0
135.11696	18.6
141.07047	3.7
143.08566	6.1
145.10130	32.4
147.08044	5.0
147.11711	23.9
148.12206	3.3
149.09641	25.3
149.13290	5.6
151.11127	5.5
153.66153	3.4
155.08521	7.5
157.10104	12.3
159.11725	19.5
161.13240	11.5
163.11234	33.2
165.12732	3.5
169.10097	8.0
171.11653	10.7
173.13249	12.3
175.11150	4.8
175.14911	5.0
177.12775	4.1
179.14372	4.8
183.11646	6.7
187.11118	2.8
197.13232	5.0
205.12141	4.2
209.13130	2.9
211.14761	4.2
223.13206	16.6
235.16814	3.2
239.17934	13.3
247.17108	3.8
257.19000	14.0
259.20627	10.3
271.49191	3.0
275.20093	100.0
276.20624	8.3
277.21680	20.6
284.29562	4.6
293.21130	25.3
299.46002	3.0
352.90732	3.0
447.38464	3.1
477.04398	3.5
551.40918	8.9
568.56885	5.5
569.42499	18.5
569.56909	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.3
67.05491	0.8
69.03431	0.5
69.07066	0.5
69.91180	0.7
69.91595	0.5
70.06596	0.4
72.08154	0.6
79.05495	0.5
81.03426	0.6
81.07048	1.1
83.08613	0.3
85.02895	0.4
91.05479	0.6
93.07050	0.7
95.04983	0.4
95.08617	0.7
97.02897	0.4
105.07034	0.8
107.08590	0.8
109.02891	0.3
109.06564	0.3
109.10160	0.8
117.01845	0.3
119.08595	0.5
121.10149	0.5
126.75288	0.2
127.03912	0.5
131.08594	0.4
133.10164	0.5
143.08563	0.3
145.10165	0.3
147.11707	0.2
153.05516	1.4
153.06889	0.2
159.11658	0.3
163.03929	0.3
165.09142	0.2
167.07074	0.3
173.06056	0.3
185.04353	0.4
253.70488	0.2
259.07849	0.5
331.10150	0.5
345.11743	0.3
407.24319	1.2
409.12973	0.6
457.20398	2.6
470.71490	0.3
471.22061	3.9
487.21597	0.9
562.26208	0.3
569.29333	100.0
570.29425	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2935
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
53.03959	0.3
54.21282	0.3
55.01869	0.3
55.05505	0.8
60.50577	0.3
67.05511	0.9
69.03423	0.6
69.07072	0.7
70.47359	0.9
72.08160	0.8
72.98495	0.3
73.62738	0.2
79.05489	0.5
81.03434	0.9
81.07058	0.9
83.04984	0.3
83.08646	0.4
84.08180	0.4
85.02907	0.8
85.45190	0.3
91.05495	0.8
93.07063	0.8
94.15689	0.3
95.04907	0.3
95.08621	0.6
97.02882	0.7
98.20695	0.3
98.86273	0.2
100.78732	0.2
105.07066	1.0
107.08588	0.7
109.02904	0.8
109.10158	0.7
111.04471	0.3
119.08591	0.6
121.10163	0.7
123.11722	0.4
127.03951	0.7
131.08643	0.3
133.10143	0.6
135.11746	0.3
145.04912	0.3
145.10175	0.4
147.04448	0.4
147.08041	0.3
147.11685	0.5
149.13380	0.4
153.05533	0.7
157.10152	0.3
159.11781	0.3
161.13249	0.4
165.09128	0.4
165.12726	0.4
167.07062	0.4
177.05391	0.4
197.11729	0.3
259.07745	0.3
295.15280	0.4
331.10117	0.8
345.11737	0.3
351.04022	0.4
407.24045	1.3
457.20389	2.6
465.12689	0.3
471.22092	2.3
487.21729	0.8
569.29340	100.0
570.29529	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.05511	0.6
57.03423	0.4
61.02927	0.5
65.03932	1.3
67.05490	1.1
68.99789	0.6
69.03426	0.6
69.07056	0.5
69.40144	0.7
69.40530	2.4
70.06607	0.3
71.01404	0.3
72.08160	0.5
77.03948	0.6
79.05486	2.1
81.03399	0.7
81.07056	1.3
81.92782	0.3
82.04215	0.5
85.02913	4.0
87.00836	0.7
87.45170	0.3
91.05491	2.4
93.03400	0.7
93.07051	1.1
95.04963	0.6
95.08605	0.8
97.02857	0.4
98.21564	0.7
103.05443	0.3
105.07040	1.4
107.04942	1.3
107.08595	0.8
109.02882	0.4
109.10167	0.7
110.03677	1.2
111.04449	0.4
115.05442	0.4
117.07027	0.6
119.04950	1.0
119.08582	0.7
121.02880	0.4
121.06573	0.4
121.10160	0.5
123.04411	1.3
123.11729	0.4
125.05993	2.2
127.03893	0.6
128.06227	1.1
129.07014	1.0
131.04955	0.7
131.08601	0.8
133.02872	0.9
133.06519	1.0
133.10085	0.6
135.11774	0.5
137.05974	0.4
138.03127	10.2
141.07047	0.7
142.07822	0.5
143.08539	0.5
144.05693	0.4
145.06502	1.4
145.10144	0.3
147.04439	3.7
147.08080	1.1
147.11664	0.5
149.02414	0.4
149.06059	0.4
151.03922	2.6
153.05478	100.0
154.05809	1.0
155.08505	0.6
157.10159	0.6
159.04434	0.5
159.08008	0.7
161.05980	2.4
161.09564	0.4
162.03162	0.5
165.05518	0.8
165.07004	0.5
167.08505	0.5
168.05739	0.3
169.06448	0.7
171.02946	0.9
171.08070	1.3
173.05994	4.5
175.07529	1.9
177.05502	1.1
178.96333	0.4
179.07068	4.1
185.05995	1.1
185.09613	0.9
187.07565	3.5
189.05569	0.6
191.07033	0.8
195.08006	0.5
197.05989	1.3
197.11763	0.9
198.06767	0.6
199.07555	3.2
201.05493	1.7
201.07246	0.3
201.09152	1.3
203.06982	1.2
203.10687	1.1
211.07576	1.0
213.09163	1.8
215.06990	1.5
215.10661	1.1
223.07555	0.5
225.05580	0.6
226.06299	0.3
227.07045	2.9
227.10637	0.4
229.08591	0.5
229.12202	0.8
239.07051	1.0
241.08623	1.2
243.06439	1.6
243.13786	0.4
245.08165	1.4
251.06992	0.7
255.10068	0.4
257.08090	6.7
257.11755	1.2
269.08057	2.2
277.08670	0.4
281.11765	1.3
283.13272	0.7
285.07584	0.4
299.12814	6.9
302.72528	0.3
313.10999	0.4
313.14261	0.7
321.11267	0.4
337.10782	0.7
341.10132	0.5
353.13849	1.0
355.11807	0.5
363.12277	0.5
365.10187	0.5
367.11887	1.4
369.16852	0.7
381.13278	0.5
385.12857	1.1
391.11768	2.8
403.13922	6.3
409.12836	41.6
410.13083	1.2
427.14035	0.6
447.18054	1.6
465.19156	5.4
495.12927	3.9
513.13971	12.4
514.13983	0.4
551.19208	1.5
569.28802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
65.03930	0.8
65.86849	0.3
67.05508	0.5
68.99752	0.5
69.03427	0.7
69.07055	0.6
69.70317	2.4
73.82108	0.4
77.23345	0.4
79.05504	1.8
81.07037	0.5
85.02912	2.6
85.36173	0.4
87.00854	0.4
91.05494	2.1
93.03468	0.6
95.04964	1.1
98.21494	0.5
105.07030	1.2
107.04947	1.1
109.02884	0.6
110.03668	1.3
115.05437	0.9
117.07039	0.9
119.04942	1.1
119.08649	0.6
123.04425	1.0
125.06001	1.9
128.06245	1.2
129.07011	1.2
131.04932	0.5
131.08540	0.6
133.02872	1.2
133.06468	0.7
137.05913	0.4
138.03130	10.1
141.07014	0.9
141.21062	0.3
142.07797	0.4
143.08569	0.7
145.06480	0.9
147.04454	2.4
147.08058	0.9
151.03935	2.4
152.06151	0.5
153.05478	100.0
154.05829	0.9
155.43510	0.4
159.04445	0.8
159.08067	1.1
161.06006	1.5
165.05475	0.6
167.07173	0.4
167.08510	0.5
169.06525	0.7
171.02928	1.0
171.08080	0.9
173.06012	4.3
175.07561	1.2
177.05498	1.0
179.07051	4.6
183.08199	0.5
185.06026	1.4
185.09688	1.0
187.07527	3.7
189.03972	0.5
189.05484	1.0
191.07028	0.8
195.08089	0.7
197.05998	1.6
198.06784	0.6
199.07568	2.1
201.05530	1.1
201.09134	1.3
203.07028	1.2
203.10756	0.7
211.07448	0.7
213.09068	1.7
215.07077	1.7
215.10712	1.2
217.08560	0.5
223.07492	0.8
225.05580	0.6
227.07051	3.2
229.08571	0.6
229.11990	0.4
239.07068	1.0
241.08678	1.0
243.06563	1.6
245.08113	1.2
249.28485	0.4
253.12254	0.7
255.10226	0.6
257.08109	5.6
257.11826	0.9
269.08130	1.9
269.11646	0.5
281.11801	1.6
283.13318	0.9
299.12854	7.6
313.10785	0.5
313.14233	0.6
337.10574	0.4
339.12387	0.7
341.10248	0.5
353.13828	0.7
359.15149	0.6
363.12430	0.6
367.11908	1.9
385.12769	0.9
391.11810	3.0
403.13931	5.0
409.12857	38.1
410.13007	1.1
427.13873	0.9
447.17966	1.6
451.13919	0.7
465.19171	4.2
477.11795	0.5
488.26105	0.4
495.13028	3.3
513.14001	10.5
527.85175	0.4
551.19067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01849	1.2
55.05515	9.7
57.07077	7.6
59.04991	2.0
65.03928	3.5
67.05180	0.9
67.05510	17.7
69.03416	2.5
69.07076	10.0
70.06570	2.1
71.04982	2.0
77.03927	1.3
79.05060	1.7
79.05498	26.1
80.06264	3.2
81.07063	36.3
83.04978	3.1
83.08624	5.2
85.06543	3.1
91.05484	41.8
92.06270	3.1
93.07051	52.4
94.07807	2.6
95.04974	40.1
95.08615	26.7
97.06522	2.1
98.20712	1.8
103.05458	3.8
105.04499	1.9
105.07037	82.7
106.07803	4.0
107.08601	44.2
108.09349	1.0
109.06504	3.7
109.10162	16.0
110.07272	1.3
111.08073	1.9
115.05437	5.8
116.06237	2.2
116.07095	2.1
117.07029	27.5
118.07793	3.0
119.08587	100.0
120.09422	6.1
121.06528	2.5
121.09314	1.7
121.10152	26.8
123.08076	15.9
123.11723	5.0
125.09619	2.3
128.06207	10.1
129.07010	16.7
129.36070	0.8
130.07809	8.7
131.08575	48.5
132.09367	10.1
133.10143	51.6
134.10942	6.5
135.08076	5.7
135.11707	18.9
137.09616	4.9
138.10403	5.5
139.11174	1.8
141.06970	6.7
142.07785	18.8
143.08569	43.0
144.09354	14.7
145.10132	84.6
146.10979	5.2
147.08034	3.7
147.11705	22.7
148.12350	1.3
149.09644	5.4
149.13254	3.2
151.11183	3.4
153.06982	2.8
154.07776	3.1
155.08569	16.0
156.08211	1.6
156.09354	17.9
157.10141	46.9
158.10931	10.3
159.08072	1.8
159.11700	40.0
159.13033	2.1
160.12434	2.8
161.09663	6.3
161.13263	8.2
162.13977	0.9
163.11203	3.3
165.07014	4.2
166.07788	3.2
167.08575	8.6
168.09325	6.2
169.10136	26.6
170.10939	8.7
171.11707	31.9
172.12442	6.7
173.13280	24.0
174.13855	2.2
175.11246	2.2
175.14839	17.7
177.11371	0.9
177.12750	5.5
178.07664	1.0
179.08543	8.3
180.09341	5.5
181.10133	16.0
182.10928	8.2
183.11713	25.7
184.12434	5.7
185.13269	25.9
186.14001	7.2
187.11205	1.5
187.14850	12.1
189.12730	3.6
189.16382	1.2
191.14296	9.5
192.09358	1.9
192.14987	1.6
193.10118	7.5
193.15822	1.5
194.10924	8.4
195.11708	17.6
196.12494	8.9
197.13266	26.0
198.14044	6.1
199.14873	9.5
200.15657	2.4
201.12729	3.4
201.16394	6.6
203.14279	2.9
205.10168	1.3
205.15977	1.4
206.10875	3.1
207.11681	9.5
208.12508	5.0
209.13268	22.4
210.14008	3.2
211.14861	14.9
212.15552	2.7
213.16406	5.8
215.14415	2.0
216.09451	1.0
217.15909	3.7
218.16701	0.9
219.11729	2.0
219.17575	2.2
220.12508	1.8
221.13246	7.2
222.13980	3.2
223.14835	11.9
224.15623	4.8
225.16463	8.1
226.17137	2.9
227.14294	1.8
227.17921	1.6
229.15906	1.6
231.17485	1.2
233.13168	4.6
234.14143	2.0
235.14832	4.5
236.15547	1.3
237.16333	8.1
238.17076	1.0
239.17917	6.8
241.19530	2.8
245.13327	2.1
247.14784	2.8
248.15419	1.5
249.16446	4.8
250.17264	1.3
251.17941	4.0
253.19539	2.2
255.17406	2.0
257.19006	1.6
258.14111	1.2
259.14828	1.2
259.20587	2.5
260.15646	1.1
261.16193	2.1
263.17844	4.6
265.16815	1.0
265.19388	5.2
267.21042	1.4
270.19882	1.2
272.21307	1.7
275.17938	1.9
276.18793	1.0
277.19492	4.0
279.21054	3.3
281.19077	1.2
283.20456	4.1
285.22214	3.8
289.19452	1.5
291.21063	1.4
295.20700	1.1
297.22055	3.0
305.22577	1.3
309.22110	1.3
321.22269	1.1
323.23752	6.7
324.24408	1.2
331.24222	1.6
337.25137	2.6
338.26050	38.8
349.25269	2.2
351.26901	1.7
362.25934	1.3
375.26563	1.7
420.30176	2.3
430.32306	13.8
458.35361	1.5
476.36636	15.1
568.35059	1.4
568.42889	24.4
568.56598	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	567.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.05514	25.1
57.07081	8.0
67.05507	45.1
69.03407	5.2
69.07068	32.2
70.95528	7.7
79.05489	36.8
81.03415	6.8
81.07069	58.3
83.04962	7.0
83.08619	11.1
91.05476	55.7
93.07047	77.8
95.04985	18.1
95.08612	56.4
97.06538	6.1
103.05462	5.0
105.07034	88.9
107.08601	84.9
109.06514	10.9
109.10160	58.3
111.47553	3.7
115.05447	6.1
117.07013	22.0
119.08589	100.0
121.06511	7.0
121.09319	5.3
121.10155	80.5
121.13628	4.2
123.08045	8.3
123.11716	31.6
128.06212	7.2
129.06990	11.4
130.07773	10.6
131.08589	42.9
133.10144	98.4
135.08026	11.0
135.11685	62.3
137.09631	9.6
137.13223	4.7
141.06953	6.3
142.07806	13.1
143.08556	32.4
144.09267	3.9
145.10129	71.8
147.11693	36.5
149.09659	9.2
149.13281	6.9
151.11169	4.9
153.05469	5.1
155.08539	16.8
156.09351	12.1
157.10130	54.4
158.10959	6.6
159.08075	7.7
159.11688	40.8
161.09624	6.0
161.13246	13.6
163.11192	5.2
167.08585	7.6
168.09323	7.0
169.10162	26.0
170.10844	6.6
171.11693	42.4
173.09636	5.9
173.13275	43.7
175.14819	39.9
179.08533	10.9
180.09312	6.0
181.10139	20.0
182.10904	5.7
183.11691	23.0
184.12468	5.1
185.09702	4.6
185.13341	23.4
187.14824	31.3
189.12732	6.2
189.16319	4.7
193.10132	11.0
194.10881	11.5
195.11696	27.9
196.12560	4.5
197.13246	26.1
199.14824	14.8
201.16327	19.1
206.10875	7.9
207.11696	17.1
208.12419	6.4
209.13316	27.7
211.14809	14.2
213.12903	6.9
213.16405	12.6
217.15866	5.0
219.11623	11.0
220.12440	8.5
221.13329	16.4
223.11217	5.6
223.14783	17.0
225.12817	6.5
225.16350	11.5
227.14394	4.9
231.11653	4.7
233.13226	12.2
235.14902	11.5
237.12869	5.7
237.16328	12.0
239.14389	5.9
239.17932	8.9
241.19612	7.3
243.11612	4.2
245.13260	10.4
246.14044	5.2
247.14833	8.5
249.16306	10.1
251.14502	4.1
251.17877	5.3
253.16029	4.9
257.19028	7.8
259.14761	7.3
260.15634	4.4
261.16379	7.4
263.18005	7.3
265.19611	10.3
267.21094	5.2
273.16351	5.7
275.17987	10.6
277.19519	7.0
283.20529	5.7
287.18039	7.1
289.19226	5.5
291.21173	5.8
301.19376	4.4
303.21014	5.1
317.22464	6.8
329.22644	6.9
331.24353	5.3
335.23569	5.2
343.24106	6.2
349.25253	6.3
361.25262	8.5
411.30444	6.1
427.29849	12.5
429.31348	13.7
445.30945	4.5
459.23810	3.6
531.39954	4.4
549.40686	32.9
567.32477	5.3
567.41858	86.3
568.42279	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	567.42
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.5
52.66163	1.5
53.03944	4.3
55.05519	9.8
57.07074	10.2
59.04976	1.7
65.03936	2.8
66.72910	1.3
67.05512	15.0
69.03432	5.0
69.07079	10.6
70.95502	3.0
71.28191	1.7
77.85526	1.2
79.05487	17.9
81.07064	29.0
83.04989	3.1
83.08637	3.9
85.06561	2.4
88.82806	1.4
91.05488	30.8
93.06469	2.8
93.07050	46.2
95.04988	7.5
95.08611	28.8
95.61467	1.7
97.10149	1.7
103.05470	2.8
105.07040	50.1
107.08601	32.8
109.06518	3.9
109.10168	23.1
115.05442	2.3
116.06171	1.4
116.07049	1.8
117.07034	10.5
119.08595	66.0
121.06519	4.8
121.10153	38.9
123.08078	8.9
123.11714	12.6
125.06037	2.7
128.06239	6.0
129.06996	9.2
130.07787	5.1
131.08591	23.0
133.10149	30.0
135.08107	8.9
135.11688	15.0
137.09610	13.7
141.07011	2.8
142.07832	10.0
143.08559	22.5
144.09360	4.2
145.10132	40.7
147.08044	14.7
147.11696	13.2
149.09651	3.6
149.13255	2.6
151.07568	9.5
154.07826	2.3
155.08528	7.0
156.09383	7.1
157.10138	27.0
158.10895	3.7
159.11716	20.1
160.12196	1.5
161.09657	3.1
161.13269	8.8
163.11165	7.1
165.07033	2.3
165.09126	41.4
167.08594	3.4
168.09372	2.0
169.10139	13.6
170.10895	6.0
171.11699	16.4
173.09608	3.1
173.13330	14.7
175.11168	3.0
175.14821	11.2
179.08604	3.2
180.09410	2.7
181.10190	5.9
181.12247	5.7
182.10912	3.0
183.11673	12.0
184.12437	2.7
185.13289	8.9
187.14931	5.5
189.12759	3.3
189.16542	2.4
191.14343	1.6
193.10201	4.8
194.10907	3.5
195.11787	9.2
195.13513	1.8
196.12442	2.5
197.09436	1.8
197.13292	8.5
199.14883	5.3
201.16510	2.4
203.14352	13.8
207.11690	5.2
207.13855	6.6
208.12460	1.8
209.11569	2.4
209.13326	10.8
209.15363	3.7
210.14087	2.7
211.11147	2.2
211.14841	7.4
213.16447	4.1
221.13358	5.8
221.15372	95.4
222.15886	1.7
223.14828	5.5
225.16362	3.0
232.12527	1.8
233.15350	2.0
235.14789	3.9
237.16411	6.5
239.18037	2.1
241.19608	1.9
247.14861	2.0
247.17131	2.9
249.16505	1.6
251.18047	3.5
253.19667	2.5
261.16382	3.6
262.05585	1.4
263.18027	2.5
265.19690	4.5
277.19656	1.6
279.20895	2.8
284.29517	17.7
284.78796	1.5
285.18634	1.9
287.20135	4.0
299.20139	4.0
333.25726	2.6
343.24219	1.6
351.23221	2.1
352.24164	3.7
353.24695	2.7
359.27347	8.3
387.30176	2.5
421.30994	2.1
445.30960	3.4
449.82193	1.7
475.35736	10.1
487.36026	7.6
549.40869	4.5
567.41980	100.0
568.42438	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	567.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45892	4.0
55.01868	7.9
55.05517	19.3
65.03935	5.6
67.05508	44.8
69.07072	29.3
71.01357	25.2
71.04986	4.2
79.05493	21.8
81.03416	14.7
81.07063	63.1
83.08618	8.3
85.02902	25.1
91.05474	21.6
93.07059	49.4
95.05003	5.2
95.08050	7.6
95.08614	100.0
96.25900	4.0
96.71085	3.8
97.10204	9.9
101.02380	31.9
105.07043	40.9
107.08604	68.6
109.06549	7.0
109.10159	64.2
111.08078	23.0
111.39292	4.1
119.08587	52.4
120.08900	5.3
121.10149	55.7
123.11681	24.7
127.03949	47.9
131.08569	14.3
133.10147	50.3
135.11732	32.6
137.13248	5.9
139.11150	6.8
143.08595	4.7
145.04950	33.2
145.10138	28.2
147.11670	36.7
149.13245	37.0
157.10149	11.2
159.11697	31.3
161.13258	30.5
163.14865	20.7
173.11868	8.2
173.13283	18.0
175.14818	14.6
177.16406	20.2
184.07892	4.6
185.13324	5.1
187.14857	15.7
189.16397	14.8
191.17950	13.6
199.14734	6.4
201.16441	40.2
203.17957	35.4
205.15863	12.3
207.17368	9.9
213.16428	9.1
215.17935	17.2
217.19498	20.4
219.17480	8.8
227.17981	10.5
229.19638	11.6
245.19081	5.8
255.21097	6.6
257.22635	9.5
269.22610	12.2
281.22940	5.1
295.24274	5.3
365.32007	5.7
377.94846	3.9
405.35208	6.5
423.36258	84.3
549.26917	5.3
567.26184	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	1.1
53.03947	5.8
55.05515	11.3
57.07077	9.6
59.04993	2.6
65.03938	2.4
67.05508	26.0
68.31477	1.2
69.03440	6.7
69.07070	14.0
69.87610	1.3
69.87885	5.8
79.05495	22.0
81.07062	38.7
83.04984	3.2
83.08623	5.8
85.06532	2.6
91.05486	33.2
93.07050	59.0
95.04974	9.9
95.08611	40.4
97.06530	2.8
103.05490	4.5
105.04554	1.6
105.07040	71.2
107.08597	39.8
109.06525	5.0
109.10161	26.7
110.89370	1.0
111.08138	1.4
115.05492	4.0
117.07025	13.3
119.08590	74.7
121.06511	2.8
121.10149	45.9
123.08076	16.1
123.11711	11.8
125.06030	3.3
128.06209	7.3
129.07027	10.2
130.07773	6.1
131.08572	27.9
133.07587	1.3
133.10149	38.0
134.10387	1.1
135.08080	10.9
135.11687	18.9
137.09622	11.5
139.07573	1.2
141.06999	3.9
142.07805	11.0
143.08571	26.5
144.09402	6.0
145.06586	1.4
145.10129	50.5
146.10834	1.1
147.08055	21.9
147.11691	14.5
149.09584	2.7
149.13280	2.4
151.07559	11.8
153.09106	1.6
154.07787	2.2
155.08574	11.2
156.09343	10.2
157.10144	30.2
158.10873	4.2
159.08089	2.5
159.11708	26.3
161.09663	4.6
161.13246	9.6
163.11192	8.4
165.06966	3.9
165.09126	49.5
166.07848	1.9
167.08609	3.8
167.10747	1.2
168.09378	5.0
169.10129	16.8
170.10971	4.4
171.11682	17.1
173.09666	3.1
173.13272	13.2
175.11227	3.8
175.14828	13.7
177.16388	1.7
179.08598	5.4
180.09351	3.2
181.10158	11.8
181.12227	8.5
182.10957	4.1
183.11745	13.3
184.12520	2.5
185.09589	1.4
185.13252	10.3
187.11227	2.7
187.14796	6.2
189.12813	3.3
189.16380	3.5
191.14340	2.2
192.09248	1.2
193.10143	5.7
194.10919	3.4
195.11725	10.8
195.13554	1.7
196.12476	3.2
197.13242	10.7
199.11328	1.9
199.14803	6.2
201.16446	4.4
203.14348	18.0
206.11000	2.5
207.11739	5.9
207.13838	6.9
208.12456	2.6
209.13310	9.2
209.15326	2.4
210.13976	2.2
211.11212	1.3
211.14835	10.7
211.82980	1.2
213.12749	1.2
213.16391	3.5
215.17917	1.3
219.11694	3.2
220.12566	2.4
221.13327	5.8
221.15363	100.0
223.14813	8.5
225.16449	4.2
227.17975	2.0
231.11742	1.4
233.13301	2.7
235.14885	4.5
235.16994	1.7
237.16380	8.3
239.17984	3.2
241.19458	1.6
245.13441	1.3
247.14854	2.7
247.17114	1.8
249.16473	2.7
251.18025	2.8
253.19649	2.1
261.16290	2.5
265.19482	1.9
267.21213	2.3
271.16937	1.3
273.16483	1.7
275.17984	2.9
277.19397	1.5
279.21011	2.2
284.29730	1.9
286.19275	2.7
287.20404	2.4
289.19547	1.4
299.20251	3.5
303.21091	2.9
312.20825	1.6
313.21613	1.5
333.26022	1.5
343.49292	1.3
352.24139	1.4
359.27301	6.9
365.24771	1.9
387.30469	1.6
404.33783	1.2
413.62268	1.2
421.31003	1.8
445.30951	3.0
457.68286	1.2
475.35767	10.3
487.35809	4.7
549.41052	3.2
567.41949	85.0
568.42273	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	567.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12941	2.1
53.03939	8.0
55.01863	7.6
55.05513	34.1
57.03437	22.7
65.03949	5.4
67.05506	76.0
69.03429	3.3
69.07069	34.9
69.24921	4.3
69.25324	20.4
71.04985	9.2
72.08149	5.2
72.47124	2.3
73.17056	2.2
79.05494	66.6
79.50629	2.1
81.03407	10.6
81.07063	80.4
83.04977	6.1
83.08630	22.7
85.02923	4.4
85.06528	6.7
91.05482	76.5
93.07048	75.8
95.04971	16.9
95.08604	63.5
95.09165	4.6
97.06537	29.2
97.10178	12.8
99.08074	8.6
101.70899	2.3
103.05456	5.8
105.07028	85.4
106.49033	2.2
107.04932	2.9
107.08603	41.6
109.02856	3.3
109.06522	36.8
109.10149	26.5
111.04495	2.8
111.08060	7.8
115.05476	6.5
117.07021	33.5
119.08578	60.8
119.14065	2.2
121.06529	4.7
121.10124	24.2
123.08055	8.2
123.11756	3.9
125.09628	8.4
128.06215	7.4
129.06999	31.3
131.08575	38.6
132.67047	2.7
133.10126	44.3
135.08044	9.5
135.11691	17.2
137.09593	4.5
141.06990	14.6
142.07791	8.3
143.08569	29.4
145.10141	44.7
147.08032	3.9
147.11700	28.5
149.09615	7.1
149.13283	10.2
149.23195	2.3
151.11209	3.1
153.07022	3.9
154.07773	6.5
155.08565	20.9
157.10141	29.0
159.08029	6.9
159.11708	35.4
161.09602	5.6
161.13277	12.5
163.11208	8.2
165.06996	5.9
165.12854	2.8
166.07784	2.7
167.08575	13.4
168.09354	5.4
169.10138	25.9
171.11697	22.5
173.09647	3.3
173.11963	3.1
173.13278	14.9
175.11230	3.4
175.14758	6.3
177.12749	3.3
179.08548	6.8
181.10144	18.8
182.10966	2.8
182.46698	2.3
183.11688	26.0
185.09621	4.4
185.13252	15.9
187.11208	2.9
187.14818	4.3
193.10118	10.8
195.11722	21.4
197.13216	17.0
199.14798	7.3
201.12703	6.2
201.16444	3.0
203.14224	3.7
207.11696	8.0
209.13245	10.9
209.15115	2.6
211.14915	9.9
213.16391	4.5
217.15843	4.0
219.11545	3.7
219.13588	3.7
221.13261	6.8
221.15408	6.5
223.14851	9.5
225.16364	4.2
227.17944	3.1
231.17429	3.0
235.14960	5.4
235.17065	3.9
237.16383	6.8
239.17950	7.8
247.14818	4.3
249.16374	3.2
255.17453	3.8
257.19073	9.7
273.18539	10.1
275.17346	4.2
275.20111	63.9
277.21625	8.8
291.19522	18.6
297.18582	4.7
311.20087	4.2
313.21930	3.9
323.20105	4.3
325.21561	3.6
327.23270	4.0
339.23032	2.9
351.23029	3.7
361.25137	3.3
365.25000	3.4
367.26605	4.0
379.26096	4.2
381.28229	4.7
407.29211	3.6
455.31540	3.4
459.32330	5.7
477.33527	4.3
481.32956	2.7
495.34683	20.2
503.67978	3.0
509.36038	5.7
513.37024	11.7
531.38446	17.7
549.39374	39.3
567.31537	12.1
567.40314	100.0
568.41431	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	567.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34930	3.1
53.03952	18.6
55.01867	17.0
55.05518	32.9
55.19789	4.0
56.70035	3.1
57.03443	16.6
60.99560	3.2
61.02921	5.7
63.13981	3.1
64.13047	2.7
65.03942	5.5
67.05510	96.3
68.38201	3.2
69.03090	5.3
69.03432	77.8
69.07073	20.0
69.87894	17.8
71.01339	6.1
71.04997	18.7
72.08123	3.4
73.02904	6.9
79.05499	68.1
81.03425	100.0
81.06583	4.5
81.07061	81.6
83.04972	20.3
83.08615	13.2
85.02905	38.6
85.06514	4.3
91.05481	63.1
93.07046	77.3
95.04970	24.7
95.08613	54.1
97.02896	36.9
97.06534	10.6
97.10155	8.1
98.20782	3.9
99.04449	23.5
101.02383	4.3
103.03941	4.4
103.05437	3.8
105.07030	56.9
107.04958	10.8
107.08601	42.0
109.02891	42.0
109.06512	12.0
109.10165	40.6
111.04462	22.0
111.08093	5.1
111.11679	3.2
115.03906	4.6
115.05479	3.8
117.07026	30.8
119.04984	3.6
119.08578	38.1
121.06532	8.8
121.10133	28.7
123.04426	3.4
123.08055	8.3
123.11665	6.8
125.09608	8.8
127.03931	43.2
128.06230	6.9
129.05467	10.3
129.07010	22.1
131.04816	3.3
131.08565	40.8
133.06505	8.0
133.10144	35.2
135.08087	10.3
135.11655	21.7
137.09589	5.4
139.03908	3.8
141.07004	7.3
142.07735	4.7
143.08615	19.9
145.06456	6.1
145.10115	33.6
147.08034	7.5
147.11702	24.6
149.09605	5.0
149.13243	13.2
151.03931	3.5
153.06812	3.2
153.09026	3.9
155.08530	11.3
157.06491	3.4
157.10159	16.5
159.08066	7.8
159.11734	23.6
161.09634	5.1
161.13237	13.4
163.07477	4.7
163.11203	4.3
165.05583	3.9
165.12593	3.5
167.08588	4.2
169.10139	13.8
171.07974	6.4
171.11674	16.2
173.09599	4.6
173.11821	5.4
173.13260	13.4
175.11209	6.9
175.14822	8.6
177.09149	4.0
177.12682	5.5
181.10091	4.8
183.11740	10.2
185.13219	8.9
186.44366	3.4
187.11209	4.0
187.14784	10.4
193.10263	4.0
195.11722	6.8
197.13304	6.3
199.11139	4.3
199.14859	6.7
201.12665	3.7
203.14386	4.5
209.13290	7.4
211.11168	4.0
211.14946	7.7
213.12582	5.2
243.21179	5.2
261.22128	10.0
273.22064	4.1
275.23746	4.8
277.21707	3.8
289.21600	5.7
301.21603	8.7
303.22974	6.7
313.21393	5.9
315.23212	7.7
327.23026	6.2
341.24753	3.8
343.22726	5.7
351.23090	10.0
367.22482	4.1
369.24268	19.9
387.25290	12.8
405.26413	22.2
447.27246	6.8
479.20618	3.9
489.28442	3.7
502.22095	3.7
512.98889	3.3
513.28632	7.4
531.29230	15.1
549.30731	9.3
567.31818	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2776
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
55.05503	2.2
57.03429	0.7
67.05521	6.0
69.03429	1.0
69.07075	1.9
71.10744	1.6
72.08158	1.5
79.05476	1.8
79.90768	0.8
81.03415	3.2
81.07049	3.5
83.08596	1.3
85.02901	1.6
91.05466	3.3
93.07027	2.9
95.04989	0.9
95.08624	4.4
97.02888	1.2
97.10181	1.0
98.21074	1.1
99.86863	0.7
103.05442	1.0
105.07011	2.7
107.08595	2.2
109.10144	3.9
111.08093	1.6
119.08575	2.2
121.10143	1.7
125.09572	0.8
127.03906	1.1
131.04941	2.0
131.08577	1.1
133.10123	1.4
135.11696	1.4
143.08563	0.8
145.10117	1.3
147.04414	1.1
147.08064	0.7
147.11635	1.1
149.13226	0.8
154.99327	0.7
159.11720	1.4
161.13216	1.4
185.04254	1.3
201.16469	1.2
203.17906	1.2
221.23276	0.8
299.14697	1.0
331.10056	4.6
387.16104	1.3
405.22427	1.7
423.36313	1.2
455.19080	1.7
469.20508	8.4
497.20102	1.1
548.20160	0.8
549.26740	25.7
567.27710	100.0
568.27942	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	566.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
54.05526	2.2
54.23781	2.1
55.05509	20.8
57.07080	5.2
58.74263	2.5
59.04995	3.3
61.60764	2.7
62.25630	2.3
63.84568	2.5
67.05505	38.2
68.23217	2.1
69.07076	20.2
71.08643	3.1
71.44685	2.2
79.05499	73.2
81.07063	51.1
83.04998	4.3
83.08624	9.0
91.05485	35.8
93.07053	100.0
94.07398	2.7
95.04979	9.2
95.08617	37.9
97.06551	3.6
97.10155	6.4
99.08110	2.8
105.04560	3.0
105.07044	25.2
107.08607	59.6
109.06508	2.8
109.10157	19.8
111.04432	3.9
111.08110	3.2
116.07061	2.7
117.07046	5.6
119.08585	28.0
121.10152	54.0
123.08083	3.8
123.11693	6.9
129.07004	5.5
131.08574	14.8
133.10143	20.5
135.11699	56.4
143.08598	5.7
145.10100	13.3
147.11691	13.8
149.13283	27.7
157.10112	7.2
159.11687	10.1
161.09648	3.0
161.13283	6.9
163.11230	6.5
163.14819	11.5
169.10126	2.9
171.11674	7.2
173.13300	7.7
175.14847	6.9
177.12691	4.9
181.12204	4.3
185.13297	5.1
189.16341	2.7
191.10609	3.0
197.13277	4.6
199.14867	4.0
203.14413	2.8
213.16391	3.4
217.92546	2.2
218.54602	2.8
221.15375	5.2
227.12875	3.9
241.14355	6.2
241.19565	10.8
259.20560	11.6
282.27686	4.3
291.23221	99.2
299.30603	3.0
310.30981	4.6
325.21689	2.3
450.19287	3.6
464.21173	3.3
474.34689	3.3
493.21616	6.7
538.25073	8.2
566.24780	23.2
566.40454	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	566.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01879	3.0
55.05516	5.0
56.05029	2.9
57.03439	3.8
57.07081	1.8
61.02937	5.6
65.03935	1.7
67.05509	18.1
68.05009	1.5
69.03433	45.4
69.03814	2.2
69.07078	11.0
70.02960	4.8
70.06596	10.2
71.04636	1.5
71.05002	8.4
72.04514	2.5
72.08162	2.3
73.02927	7.1
79.05502	10.1
80.05015	2.3
81.03424	6.6
81.07059	16.4
82.06582	4.8
83.04993	1.9
83.08619	3.2
84.04507	6.5
84.08143	22.6
84.08624	2.1
85.02903	13.5
85.06539	2.1
86.06074	4.1
86.09743	1.2
87.04471	24.7
88.03995	5.7
91.03956	3.4
91.05482	11.1
93.07054	10.5
94.06568	5.6
95.04977	5.7
95.08606	10.0
96.04527	1.5
96.08158	2.0
97.02898	12.3
97.06525	3.9
97.10139	1.8
98.06063	4.0
99.04454	1.1
99.08096	4.0
102.05529	10.5
103.03946	1.5
103.05437	1.9
105.07031	16.6
107.04954	2.3
107.08591	10.4
108.08060	1.1
109.02897	2.9
109.06540	2.5
109.10165	13.0
110.06074	2.0
111.08092	1.5
112.07610	100.0
115.03941	2.7
117.07047	2.3
119.05813	1.0
119.08579	9.2
120.08094	2.0
121.06454	1.2
121.10152	7.7
122.06049	2.7
123.04463	2.5
123.08112	1.5
123.11687	3.2
124.07579	2.1
125.09630	9.8
127.03901	6.6
127.07553	1.6
127.11233	2.5
128.04247	1.8
128.07085	1.5
129.07013	2.5
131.08578	4.0
133.04971	3.9
133.10136	20.0
135.11687	2.7
136.07605	2.9
137.05983	2.5
137.09622	2.3
138.05501	2.1
138.09126	2.2
139.11246	1.5
140.07072	80.8
143.10689	22.0
145.04985	2.8
145.10165	6.6
147.04401	3.0
147.11716	8.0
148.07629	1.4
149.09630	3.2
149.13246	3.3
151.11177	2.3
153.05463	2.7
154.08682	1.7
155.10683	2.0
156.06548	1.4
157.10107	2.0
158.08151	12.3
159.11720	3.5
161.13315	1.3
163.11247	2.9
164.07065	2.7
167.14317	7.2
169.12213	1.4
173.11763	3.6
173.13190	1.6
174.07613	1.9
177.05511	1.9
180.13838	2.7
190.12315	1.7
193.12280	3.2
201.16379	3.4
208.13333	2.3
212.94804	1.0
219.17422	18.4
219.38101	1.3
229.14386	5.6
232.11792	1.4
237.18539	4.3
255.15884	1.5
257.13892	1.7
267.15869	2.5
268.15613	1.4
270.08401	1.2
276.15842	1.7
285.17151	2.8
294.17154	1.9
295.10202	1.8
302.04132	7.9
303.04581	13.4
304.05249	2.7
312.17700	1.3
317.06613	14.9
318.06931	23.9
322.41977	1.3
329.63251	1.2
342.18927	2.3
368.20596	3.9
386.21725	62.0
404.22797	66.0
405.23260	2.0
419.53439	1.2
548.27014	9.3
566.28271	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	566.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17730	0.5
51.96619	0.6
52.42300	0.5
53.03940	1.7
55.01870	1.5
55.05516	6.1
56.05032	1.6
57.03432	1.7
61.02929	7.3
66.57148	0.7
67.05510	4.4
68.05021	1.0
69.03429	8.1
69.07060	1.3
69.23442	4.2
69.23853	1.0
70.02940	0.6
70.06593	5.9
71.01376	0.7
71.04996	65.2
72.04531	0.5
72.08155	0.8
73.02923	5.0
75.62508	0.5
79.05501	5.9
80.05018	0.5
81.03424	2.4
81.07070	3.6
82.06610	0.6
83.04976	1.3
83.08621	2.1
84.04470	0.6
84.08151	4.0
85.02914	5.7
86.06068	3.7
87.04459	0.5
88.04001	3.2
91.03976	2.6
91.05487	2.1
91.36185	0.5
93.07056	3.1
95.04975	1.3
95.08587	1.1
96.08134	7.3
97.02897	5.7
97.10170	4.9
98.06067	2.7
98.94850	0.5
99.04445	1.1
101.02375	1.3
103.03918	0.8
105.07040	1.3
106.06577	1.1
107.08598	4.9
109.02877	1.4
109.10168	1.5
111.08105	2.0
112.07617	4.7
114.05585	0.9
114.09181	0.7
116.07103	1.0
117.07024	1.2
119.04957	0.7
119.08608	0.7
120.08125	0.9
123.08051	0.6
124.07602	2.9
125.09624	4.5
127.03959	2.2
135.08060	3.2
141.07883	0.7
142.08643	3.3
147.04451	1.6
153.09152	3.1
158.08148	4.5
170.08176	2.0
189.11226	1.5
190.48564	0.6
206.65276	0.5
227.12833	1.9
248.16505	0.6
308.67932	0.5
312.45755	0.5
328.21057	0.7
404.22836	2.0
437.22748	0.6
452.46338	0.5
534.31683	0.7
566.28107	100.0
567.28772	2.7
575.05829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01839	0.7
53.03946	1.5
55.01871	2.5
55.05515	8.4
56.05037	0.8
57.03429	3.1
57.56401	0.8
61.02691	0.7
61.02937	7.6
62.11525	0.7
66.04124	0.7
67.05511	4.4
68.05022	1.4
69.03434	8.7
69.07080	2.0
70.02937	0.8
70.06596	9.4
70.61551	1.4
71.04998	70.0
72.08148	2.3
73.02930	5.0
79.05488	6.0
80.05025	0.8
81.03429	3.7
81.07061	2.7
82.06599	1.7
83.04996	1.1
83.08624	3.8
84.04534	1.3
84.08139	3.5
84.38548	0.6
85.02920	7.5
85.69024	0.7
86.06058	4.9
87.04479	1.4
88.04000	3.5
91.03957	2.6
91.05493	2.2
93.07045	3.1
95.04964	1.5
95.08606	1.0
96.08145	6.3
97.02908	6.6
97.10183	6.0
98.06059	3.7
99.04427	1.2
101.02392	0.7
102.05566	0.8
105.07056	1.2
106.06571	1.7
107.05025	1.3
107.08595	4.7
109.02890	1.4
109.10207	1.1
111.08105	2.6
112.07629	3.7
114.05534	0.8
114.09184	1.1
115.04005	0.9
119.08609	1.2
120.08043	0.7
124.07588	5.1
125.09613	4.7
127.03893	3.4
128.07117	0.9
131.08583	1.0
135.08023	3.8
140.07065	0.8
141.07895	0.9
142.08704	3.9
145.02852	0.8
147.04419	1.8
150.09198	0.7
153.09100	3.8
158.08136	3.6
163.03949	0.8
170.08159	2.4
171.10153	0.8
174.99408	0.6
177.05600	0.8
189.11269	1.8
210.04709	0.8
227.12837	1.5
245.20622	0.7
248.16458	0.7
271.06000	1.3
328.21344	2.3
340.23322	0.7
404.22900	3.0
405.37933	0.7
436.16550	0.8
490.26517	1.9
534.29669	1.1
566.28113	100.0
567.28864	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28447	1.0
52.11969	1.0
53.03949	1.6
53.07898	1.0
55.01872	2.4
55.05518	4.6
56.05024	2.8
57.03427	3.6
61.02929	6.0
65.03944	1.4
67.05506	14.4
68.05023	2.2
69.03433	45.0
69.07067	9.2
69.92335	5.0
70.02958	2.4
70.06596	11.2
71.04995	1.9
72.04507	1.9
72.08150	3.7
73.02909	2.9
79.05502	7.5
79.37749	1.0
80.05016	1.3
81.03418	6.6
81.07055	8.5
82.06590	5.8
82.10548	1.0
83.04980	2.3
83.08604	2.8
84.04512	4.7
84.08147	21.1
85.02909	10.4
85.06549	2.0
86.06069	3.9
86.09718	1.3
87.04472	22.2
88.03992	5.0
91.03955	4.1
91.05492	7.6
92.04991	1.1
92.69006	1.0
93.07033	6.9
94.06567	4.3
95.04957	3.6
95.08608	6.2
96.08151	2.3
97.02899	12.9
97.06506	2.9
97.10168	1.7
98.06056	4.4
98.09666	1.0
99.04494	1.9
100.03977	1.6
100.07672	1.4
100.11263	3.1
102.05546	10.1
103.03987	1.1
105.07039	5.0
105.40133	1.0
107.04936	2.2
107.08605	5.3
108.08155	1.7
109.02873	2.9
109.06499	1.1
109.10168	9.2
110.06055	1.3
111.08094	1.5
112.07611	100.0
114.05530	1.1
114.09165	2.4
115.05476	1.3
116.07130	1.5
119.04937	1.9
119.08555	6.2
120.06585	2.3
120.08133	1.6
121.06519	1.2
121.10146	4.2
123.04419	1.5
123.11721	1.0
123.77259	0.9
124.07567	1.4
127.03906	5.6
128.07098	2.4
129.07018	1.4
130.05026	2.3
131.08582	1.9
133.10162	3.3
134.06007	1.1
135.04424	1.0
135.08063	1.8
135.11711	1.9
136.07553	2.6
137.06001	3.0
137.09627	2.3
138.05470	1.8
140.07069	87.8
142.08672	2.3
145.04921	1.3
145.10100	3.5
147.04388	3.0
147.11703	2.1
148.07661	1.2
149.09631	2.9
153.05449	6.6
154.05843	2.0
157.10069	1.4
158.08142	11.8
159.11716	1.5
161.05939	1.2
163.11160	2.9
164.07077	1.8
167.07021	3.7
173.05902	1.3
173.11806	3.2
174.07645	1.8
175.11128	1.8
177.05516	2.1
180.13768	2.3
182.15378	2.7
189.12717	0.9
190.12309	2.5
191.08151	2.0
191.10727	1.4
192.08437	1.2
193.12250	2.0
201.16475	1.0
208.13309	1.5
210.14899	3.5
229.14308	5.0
255.15910	1.7
257.13913	2.1
267.15948	2.6
269.08337	1.2
270.08548	2.0
276.16061	1.9
278.83102	1.0
285.16898	2.1
294.17044	1.5
312.17883	1.2
317.06540	1.8
318.06870	3.2
342.19180	1.5
358.22482	1.5
360.20090	1.8
368.20697	5.2
386.21756	43.5
404.22815	68.7
446.78430	1.1
530.25677	1.2
535.75989	1.2
548.26965	8.4
566.27698	5.9
566.42474	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	566.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.2
55.01863	7.4
55.05513	3.7
57.03202	1.7
57.03439	13.9
61.02924	4.8
67.05490	6.3
68.99790	6.6
69.03436	69.0
69.03814	4.1
69.06788	1.7
69.07079	17.2
70.06578	4.5
71.04985	6.6
72.08163	3.3
73.02921	4.4
79.05501	5.1
81.03427	33.6
81.07065	8.6
83.01332	4.0
83.04981	10.4
84.08141	2.1
85.02912	86.0
87.00838	36.0
87.04462	14.1
91.03970	1.6
91.05499	3.8
93.07040	4.7
93.82710	1.6
95.04955	5.8
95.08641	4.0
97.02902	100.0
97.06514	2.0
99.04463	18.7
99.41875	1.5
103.03923	2.1
105.01881	47.2
105.07014	5.4
107.05003	3.3
107.08602	3.6
109.02887	34.7
109.06506	2.7
109.10181	3.4
111.04429	7.2
111.25452	1.6
115.03941	22.0
115.05316	1.5
117.01797	2.1
119.08590	2.8
119.42010	1.6
121.02843	2.3
121.10104	1.9
123.04435	3.7
123.11712	9.5
125.02331	3.6
126.05509	2.1
127.03928	66.5
129.01801	4.4
129.05478	3.1
133.04958	6.3
133.06474	1.9
135.04453	2.4
137.05992	3.9
139.03900	7.7
145.04973	29.3
147.02866	2.2
147.04399	4.7
148.93709	1.6
149.06035	3.7
151.03853	2.9
151.07523	1.7
151.11195	18.7
153.05487	5.8
154.08678	5.5
159.02933	13.7
163.03951	2.4
165.05475	2.1
167.07048	3.6
169.04948	3.1
171.02939	2.0
177.05482	6.7
181.05019	2.6
183.03008	2.9
189.03922	3.5
201.03976	3.4
205.04984	3.8
213.03993	8.0
215.05504	4.0
219.05026	1.8
223.06009	4.9
231.05031	16.3
241.07098	10.4
248.07666	2.6
249.05977	3.1
266.08502	2.5
273.06079	3.1
301.09036	2.4
302.04272	2.1
317.06708	3.3
318.06897	4.1
327.07175	12.9
345.08234	15.5
363.09073	3.9
399.16660	11.6
455.92273	1.9
566.20776	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	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.5
55.05514	16.5
56.14188	3.8
57.07072	9.0
65.03923	5.0
66.02695	3.6
67.05502	32.9
69.07063	25.1
69.85104	9.8
69.85499	7.5
79.05511	24.2
81.07059	48.8
83.08627	5.5
91.05485	43.3
93.07054	48.9
94.51830	4.0
95.04990	9.6
95.08611	36.1
103.05494	6.5
105.07040	81.3
107.08604	35.6
109.10156	45.8
117.07027	17.9
119.08588	100.0
121.10152	59.6
123.08035	5.2
123.11702	16.3
128.06255	8.1
129.07008	14.5
130.07790	5.7
131.08583	35.3
133.06509	4.8
133.10136	40.8
135.08052	5.0
135.11679	27.2
141.07080	9.8
142.07803	22.8
143.08580	37.2
144.09361	7.2
145.10124	74.5
145.11156	6.6
147.11688	21.9
149.09619	5.9
153.07005	4.3
155.08582	14.1
156.09375	16.7
157.10149	40.0
159.08060	13.0
159.11705	22.4
161.13248	8.2
163.11214	3.8
165.07005	6.9
167.08597	10.6
167.10722	18.8
169.10173	29.0
171.11676	20.4
173.09723	11.0
173.13316	17.9
175.14838	14.4
179.08554	10.1
181.10138	18.9
182.10931	14.8
183.11758	21.8
185.13261	8.7
187.14735	6.9
189.12750	7.1
193.10117	12.0
194.10847	4.7
195.11717	16.8
197.13217	24.9
199.11176	5.5
199.14868	7.9
200.50380	3.9
201.16402	5.7
206.10883	5.6
207.11673	9.5
208.12585	6.6
209.13281	20.4
211.11031	4.7
211.14781	11.1
215.14240	8.3
219.11794	4.3
221.13263	11.0
222.18076	4.1
223.14796	16.0
225.12766	6.7
233.13148	9.9
233.15277	43.5
235.14832	5.4
237.16409	4.6
238.16972	4.7
239.18076	5.0
247.14729	5.7
261.16354	4.3
267.21249	3.9
273.18497	8.9
279.21207	5.1
282.27802	9.5
299.20117	24.3
310.31137	4.9
345.25696	12.8
443.29355	9.8
473.34067	4.1
561.21936	4.1
565.40521	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
54.29508	0.4
55.01865	1.8
55.05507	0.9
55.41105	0.4
57.03434	1.2
58.13228	0.5
58.22536	0.6
61.02916	2.1
67.05495	1.4
69.03437	7.3
69.34486	2.2
69.34912	2.0
70.06611	3.3
71.04992	1.4
72.08148	1.5
73.02911	2.1
79.05494	1.3
81.03417	5.3
81.07060	0.9
83.04991	0.7
83.08623	0.6
84.08143	0.9
85.02906	20.6
85.06546	1.1
86.09697	0.5
87.04458	0.8
91.03956	1.1
91.05479	4.7
93.07056	0.8
95.04963	1.0
95.08588	0.9
97.02896	19.5
99.04456	2.3
102.26962	0.5
105.07018	4.8
107.04958	100.0
107.08569	1.0
108.04528	1.0
108.05293	1.0
109.02892	5.6
109.06519	0.5
109.10154	1.1
112.07660	0.9
113.36275	0.4
114.34734	0.5
115.03950	1.2
115.05477	1.1
118.83996	0.5
119.04946	6.1
120.08117	0.6
121.02975	0.5
121.06490	0.7
121.10179	0.7
123.04476	0.9
127.03920	13.6
128.04248	0.5
128.07069	0.7
131.04918	1.9
133.06499	15.6
135.04390	1.2
137.09572	0.5
140.07069	1.1
145.02959	0.9
145.04971	17.1
147.04424	19.7
149.05983	2.1
153.05473	1.2
159.04463	1.4
161.05983	20.7
163.06113	0.7
165.05519	0.9
167.07051	0.7
171.05574	1.5
177.05475	12.9
187.03958	1.8
195.06540	51.8
201.16554	0.6
205.04985	13.5
205.06914	0.7
209.08250	0.6
223.06013	9.2
237.07622	1.0
241.07007	3.0
249.07564	1.9
259.10040	0.7
302.04105	1.8
303.04626	2.4
317.06613	2.2
318.06851	4.2
318.10144	0.7
321.09680	3.3
339.10611	1.1
349.09207	1.8
367.10410	2.4
369.19052	0.6
385.11359	1.5
404.22800	0.8
483.91190	0.5
485.14291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43921	3.3
53.03943	3.8
55.05501	13.3
57.07059	11.8
65.03921	5.0
67.05500	33.1
69.07066	18.3
71.08626	5.4
79.05498	23.5
81.07066	46.4
83.08604	15.0
85.06532	3.6
91.05479	43.9
93.07055	39.9
95.04978	6.3
95.08613	35.0
98.20715	7.7
103.05488	6.1
105.07036	70.8
107.08594	44.7
109.06493	6.2
109.10154	56.3
114.93776	3.6
115.05390	3.7
117.07030	16.9
119.08588	100.0
121.06545	4.1
121.10149	63.0
123.08042	6.7
123.11715	21.5
128.06198	6.9
129.07002	13.8
130.07774	3.2
131.08565	36.1
133.10143	48.7
135.08054	5.1
135.11728	34.5
137.09589	4.3
141.06996	4.4
142.07838	16.8
142.24606	3.2
143.08574	37.4
144.09337	8.7
145.06396	3.1
145.10121	58.2
147.08104	4.4
147.11702	23.1
149.09607	5.3
149.13226	3.6
153.07045	4.3
155.08545	10.8
156.09340	14.7
157.10138	49.6
158.10860	4.1
159.08044	6.7
159.11684	32.9
161.09648	6.3
161.13245	8.8
165.07048	5.5
167.08568	9.0
167.10667	7.6
168.09383	6.2
169.10118	21.9
170.10876	3.2
171.11693	26.4
173.09634	7.6
173.13290	15.8
175.14845	39.9
179.08554	8.0
180.09369	3.8
180.13771	3.3
181.10181	16.0
182.10861	7.9
183.11700	27.5
185.13312	14.7
187.11261	5.6
187.14845	11.8
189.12788	8.2
189.16370	5.6
193.10127	12.5
194.10869	7.0
194.22296	3.0
195.11713	17.5
196.12323	4.0
197.13272	31.3
199.11200	11.8
199.14825	5.7
201.12672	4.4
201.16391	8.8
203.14259	4.5
206.10930	5.8
207.11671	15.1
208.12413	3.8
209.13310	21.0
211.11316	4.5
211.14815	7.9
212.15291	4.1
213.12857	6.1
213.16306	6.4
215.14194	4.6
219.11696	6.6
220.12424	5.9
220.14500	3.6
221.13210	7.8
221.15257	3.4
223.14861	19.4
225.12755	5.5
225.16377	6.7
227.14240	3.6
227.17880	3.3
231.11682	4.6
232.12520	3.7
233.13239	4.9
235.14827	5.0
237.12836	3.5
237.16353	5.0
239.14293	3.7
239.17883	9.1
245.13225	4.1
247.14914	6.1
260.15677	4.1
260.25482	3.2
261.16348	4.5
263.17996	6.3
265.15863	4.9
273.18610	27.8
275.18057	3.6
279.20987	4.6
282.27963	7.2
291.21027	6.0
299.20105	58.1
310.31018	6.0
326.97565	3.5
343.24277	4.6
345.25641	3.6
351.23172	4.9
363.23279	4.7
405.27954	4.1
413.76752	3.4
443.29349	5.4
467.37177	10.4
473.34039	11.8
547.38690	3.4
565.40295	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23779	7.7
55.05501	20.9
57.07072	20.0
59.04995	9.6
67.05508	52.7
69.03408	8.6
69.07061	22.5
71.08641	10.2
71.09770	9.2
71.10113	18.6
72.45654	7.4
77.41154	7.9
79.05481	31.8
81.07053	50.2
83.08616	15.8
88.15948	8.0
91.05479	33.8
93.07055	74.9
95.04947	11.3
95.08607	52.5
105.07041	81.1
107.08621	54.5
109.10184	54.3
112.54527	9.2
117.07015	21.3
119.08584	100.0
121.10162	63.4
123.11729	18.6
128.06273	9.9
129.07011	16.5
131.08586	46.7
133.10143	53.3
134.35951	8.3
135.11690	28.1
141.06966	13.2
143.08551	36.7
145.10124	89.9
147.11690	15.9
149.09569	12.1
155.08575	15.8
156.09344	11.7
157.10094	41.8
159.08031	21.9
159.11705	20.9
161.13168	11.1
167.08612	11.7
167.10690	26.7
169.10155	24.9
170.10886	10.2
171.11650	23.1
171.86639	9.9
173.09595	11.8
173.13264	36.9
175.14815	27.6
179.08505	12.4
183.11632	21.9
185.13297	10.4
187.14886	12.3
190.62042	9.2
193.10167	13.1
194.10860	11.5
195.11687	23.6
197.13309	27.1
199.14787	9.8
207.11578	12.2
209.13190	27.1
211.14796	16.7
221.13266	10.8
223.14890	20.4
225.16273	9.4
233.15372	66.7
238.17203	11.6
251.18005	8.6
252.76347	9.1
265.19748	7.7
299.20035	30.9
345.25693	29.0
360.19708	8.6
422.19989	9.2
443.29501	10.5
467.37222	20.6
565.40149	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
53.66697	1.6
55.05515	11.9
57.07064	6.1
59.05006	2.2
59.81727	1.4
63.76573	1.2
67.05507	20.8
69.03413	3.5
69.07070	18.1
69.50678	1.3
71.08633	2.5
71.55959	1.4
79.05496	22.0
81.03404	1.3
81.06582	2.1
81.07057	29.1
83.04977	4.3
83.08618	7.8
85.06559	3.3
85.10184	2.4
85.75127	1.6
89.06034	1.5
91.05482	28.8
93.07049	38.2
95.04970	8.9
95.08602	27.3
97.06551	3.8
97.10175	3.5
103.05438	2.7
105.07036	57.1
107.04934	2.1
107.08605	32.6
109.06516	6.5
109.09566	1.6
109.10168	17.9
111.04414	1.7
111.08116	2.0
113.06036	1.7
115.05440	3.2
117.06984	11.4
119.08580	51.9
121.06487	3.4
121.10152	41.7
123.08038	6.1
123.11691	7.8
125.05985	2.0
125.09619	2.8
128.06241	8.7
129.07010	9.0
130.07735	2.4
131.08589	22.4
131.09543	2.5
133.06468	2.1
133.10141	38.5
135.08084	4.9
135.11705	14.2
137.09616	5.8
139.11182	2.2
141.07011	5.9
142.07809	13.0
143.08560	29.1
144.09351	5.8
145.06459	2.5
145.10107	30.5
146.07358	1.7
147.08080	4.8
147.11717	12.3
149.09656	7.1
149.13271	1.8
151.07553	2.8
151.11189	1.8
153.07037	2.7
155.08597	11.5
156.09366	11.3
157.10141	30.1
158.10899	6.2
159.08076	2.4
159.11728	15.7
161.09627	4.0
161.13280	5.0
163.11200	3.3
165.07018	4.9
165.09094	10.3
165.12811	1.6
167.08594	7.7
167.10678	16.0
168.09360	5.2
169.10123	20.4
170.10922	5.3
171.11682	24.1
172.12466	2.1
173.09692	1.9
173.13255	18.4
175.11168	3.4
175.14893	7.8
178.07777	2.1
179.08569	5.5
180.09358	4.9
181.10146	12.3
181.12224	4.3
182.10918	5.3
183.11694	16.9
184.12457	2.2
185.13269	11.9
187.14758	7.6
189.12787	2.4
191.08568	2.5
191.14380	3.2
192.09410	3.1
193.10100	9.9
194.10918	6.9
195.11717	15.9
196.12483	4.6
197.13313	13.8
199.14841	14.6
201.16435	3.0
203.14384	4.5
205.10159	3.5
205.15755	1.7
206.10939	6.4
207.11732	16.3
207.13701	2.9
208.12489	5.9
209.13315	18.5
209.15150	2.5
210.13928	2.8
211.14853	7.3
213.16434	3.3
215.14310	3.4
217.10150	2.4
217.15898	2.9
219.11673	5.9
220.12523	6.0
221.13277	11.8
221.15421	18.7
222.14044	2.3
223.11279	2.9
223.14793	8.3
225.16420	5.2
229.10219	2.2
231.11761	6.0
232.12552	4.7
233.13246	8.6
233.15456	7.5
234.14067	3.6
235.14865	6.6
237.16440	6.3
239.18001	5.5
242.10971	2.1
243.11734	3.5
244.12729	1.9
245.13319	4.8
246.14073	2.2
247.14868	6.0
248.15610	2.8
249.16420	4.8
251.18018	5.6
253.19479	3.9
255.17514	2.4
257.13419	2.6
258.14035	2.0
259.14911	5.1
260.15527	2.9
261.16373	3.9
263.18045	6.2
265.19559	8.2
269.18958	1.6
271.14951	2.6
272.15607	2.4
273.16321	4.7
274.17010	1.5
275.17990	4.4
277.19574	4.5
279.21072	2.4
282.27780	1.8
283.14828	2.4
285.16553	3.6
287.17816	2.9
289.19519	3.9
291.20993	2.6
301.19403	2.8
309.16809	1.7
310.31165	1.9
311.17746	2.3
313.19275	2.3
315.21185	2.5
317.22601	2.9
325.19498	2.2
331.24039	3.0
341.22867	1.6
343.24265	5.0
347.23633	2.3
351.23041	1.9
355.23886	1.7
357.25757	3.3
359.23508	2.4
365.24771	2.0
409.29987	1.7
425.28455	1.8
461.12796	1.8
473.33997	9.0
491.33102	2.3
509.33975	2.9
529.37976	3.4
547.39490	15.2
565.40405	100.0
566.40656	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	565.404
Annotation	28380-31-6
Peak:m/z	Relative Intensity
52.78684	1.1
53.03951	3.0
55.05518	8.4
57.07082	6.0
59.04995	2.4
61.44296	1.2
62.61975	1.2
65.03948	1.8
67.05505	16.4
69.03432	4.9
69.07066	12.2
69.92187	3.5
70.73277	1.2
70.98965	1.2
71.04971	1.1
71.08635	1.3
79.05492	14.3
81.07063	22.4
83.04986	4.4
83.08625	6.1
85.06544	3.3
87.04510	1.4
89.06035	1.2
91.05486	26.8
93.07046	27.8
95.04980	6.3
95.08602	21.7
97.06549	3.3
99.99345	1.2
103.05495	2.2
105.07033	42.7
107.08598	30.6
109.06545	5.7
109.10162	15.1
115.05446	2.6
117.07012	9.0
119.08587	43.6
121.06538	2.6
121.10143	34.3
123.08064	6.9
123.11726	5.7
128.06221	5.7
129.07028	8.9
130.07808	3.8
131.08582	16.1
133.10133	30.7
133.11081	2.3
135.08083	5.5
135.11708	12.2
136.40707	1.1
137.09627	4.1
141.06996	6.2
142.07770	12.0
143.08540	20.6
144.09355	3.4
145.06471	2.1
145.10124	30.6
147.08060	6.5
147.11685	9.9
149.09624	4.3
149.13289	1.9
151.07570	5.2
153.06987	2.7
154.07767	2.8
155.08562	12.1
155.10576	1.6
156.09360	12.1
157.10139	29.7
158.10962	4.8
158.57050	1.4
159.08087	2.3
159.11700	16.7
161.09631	2.9
161.13316	4.7
163.11215	3.9
165.07010	4.4
165.09097	8.5
166.07808	2.2
167.08598	6.7
167.10675	14.0
168.09392	2.9
169.10144	17.3
170.10942	4.6
171.11685	20.3
173.09691	2.6
173.13248	18.5
175.11172	1.7
175.14807	6.5
178.07791	1.8
179.08530	7.7
180.09389	4.7
181.10130	11.3
181.12259	4.2
182.10924	3.9
183.11670	17.6
184.12421	2.1
185.09572	1.5
185.13254	14.4
187.11125	1.5
187.14757	6.9
189.12816	2.5
191.08507	1.7
191.14330	2.8
192.09358	2.7
192.11479	1.4
193.10147	8.7
194.10956	5.1
195.11713	15.6
196.12541	4.2
197.13275	16.9
198.14064	1.3
199.11174	1.8
199.14792	7.9
201.16399	4.6
203.08636	2.1
203.14348	5.2
205.10185	2.5
205.12207	1.2
206.10915	6.0
207.11720	11.6
207.13597	2.2
208.12503	5.0
209.13278	17.0
209.15173	2.1
210.14055	3.2
211.11432	1.8
211.14836	9.2
211.43672	1.1
213.12869	1.5
213.16461	3.8
215.08327	1.2
215.14412	3.5
217.10184	2.0
217.15971	1.7
218.10892	1.7
219.11772	6.1
220.12633	3.9
221.13272	12.6
221.15430	17.5
222.13995	2.8
223.14766	9.5
224.15759	1.3
225.16365	4.3
227.18361	1.2
229.15933	2.0
230.10979	1.3
231.11713	4.8
232.12558	3.0
233.13300	8.3
233.15445	5.9
234.13869	1.6
235.14809	7.4
236.15552	2.0
237.12772	1.5
237.16351	9.5
239.17902	4.2
241.19539	1.4
243.11844	3.6
244.12436	2.0
245.13295	5.6
246.14053	3.2
247.14871	7.2
247.17122	2.0
248.15755	1.5
249.16431	5.3
251.17998	6.4
253.19592	4.3
257.13263	2.7
257.18939	1.6
258.14087	2.8
259.14862	2.9
261.16425	5.9
263.17978	8.1
265.19513	7.6
269.19415	1.2
271.14789	3.9
273.16452	5.2
275.17941	5.5
277.19562	4.6
279.21091	2.8
281.19141	1.5
283.20566	2.2
285.16275	1.9
287.18030	3.3
289.19592	4.3
291.21045	2.2
295.14917	1.4
295.20578	1.8
297.16403	2.0
299.17697	1.8
301.19525	2.2
303.17957	1.3
303.21274	3.7
307.14679	1.3
307.20425	1.7
313.19528	2.0
315.20782	1.6
317.22696	2.8
327.20956	1.7
329.22806	1.7
331.24316	5.0
341.22961	2.4
343.24338	2.5
345.25723	1.7
347.23575	1.6
357.25778	4.3
365.24854	3.6
385.29312	2.4
387.26605	1.4
411.26776	1.6
445.30960	1.6
473.34131	6.5
491.33096	2.3
505.80524	1.3
507.36057	1.7
509.34259	3.0
529.38098	1.4
547.39288	17.5
565.40417	100.0
566.40375	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.5
55.01868	3.3
55.05509	18.0
57.03437	3.0
57.07075	3.3
58.61829	2.9
59.56235	2.7
61.02935	13.6
65.03925	3.7
67.05511	37.8
68.99796	13.7
69.03428	21.2
69.07082	22.8
70.06588	3.1
71.04996	7.6
71.55726	4.0
72.08156	3.2
79.05497	41.7
81.03422	27.6
81.07063	55.6
83.04984	6.9
83.08607	10.8
85.02911	24.2
85.06553	3.3
87.00829	8.0
91.05483	30.5
93.07048	63.1
95.04984	14.5
95.08614	82.2
97.02892	16.3
97.06541	16.5
97.10168	11.5
97.51740	2.5
99.04420	5.0
103.05450	7.2
105.01894	2.9
105.07040	100.0
105.43020	2.4
107.04963	9.5
107.08604	70.4
109.02889	35.2
109.06535	4.6
109.10165	60.3
111.04442	6.2
111.08061	8.1
111.11746	4.0
111.65749	2.4
115.05473	3.8
117.07005	6.0
117.68051	2.5
119.04936	6.2
119.08588	85.2
121.06495	4.9
121.09319	4.1
121.10152	56.6
123.08033	7.4
123.11708	14.8
125.05984	19.5
125.09624	3.9
127.03929	43.0
128.06197	2.5
129.01836	20.8
129.07024	7.6
130.07756	3.0
131.04903	4.8
131.08578	27.0
133.06520	4.0
133.10141	37.8
135.04391	3.9
135.08051	6.8
135.11696	28.3
137.05971	14.9
137.13268	9.3
143.08565	6.3
145.04958	3.5
145.10126	43.0
147.02895	4.7
147.04433	5.2
147.08046	5.4
147.11707	35.9
149.05980	8.8
149.09608	3.3
149.13257	29.7
151.03915	3.1
151.07542	4.5
151.11166	5.1
151.14890	2.7
151.43756	2.8
153.01915	3.1
153.05449	11.9
155.08549	4.2
155.10660	3.4
157.10120	12.1
159.08061	6.6
159.11710	30.5
161.05957	5.0
161.09637	6.9
161.13264	22.2
163.03885	3.9
163.07590	4.4
163.11258	3.1
163.14777	2.8
167.07097	13.9
169.10115	6.5
171.11656	15.2
173.06035	4.1
173.09624	5.5
173.13252	38.2
175.11221	9.2
175.14813	10.0
177.05540	2.9
177.09172	3.0
177.16367	8.0
179.10760	4.2
181.05009	4.6
183.11687	6.4
185.13188	7.4
187.14824	11.6
189.12685	4.1
189.16371	31.4
191.10706	3.3
193.12296	11.9
197.13274	7.3
199.14850	3.4
201.12758	7.1
201.16464	3.8
203.14313	10.8
207.13799	11.5
211.14847	3.9
213.03882	5.1
213.16479	4.9
215.14369	5.8
219.13742	7.5
221.15402	5.3
227.17934	9.9
229.19533	14.8
231.04840	4.8
233.15459	4.5
243.17242	3.2
243.21136	43.8
253.19536	21.2
271.20578	40.0
281.19089	4.2
289.21680	55.1
299.20123	16.8
302.04214	14.4
315.08353	3.3
317.06531	22.2
317.09567	5.1
317.21118	34.2
335.22110	6.8
425.22876	2.7
497.82941	3.6
511.23367	4.6
519.26263	2.8
529.24408	5.4
547.25323	13.1
550.27264	3.3
565.26501	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01866	0.6
55.05490	0.2
56.28654	0.4
57.03439	0.8
62.77279	0.3
67.05528	0.3
67.58807	0.3
69.03431	2.3
70.06590	1.6
71.04990	0.4
71.54950	0.3
71.55377	0.5
72.08154	1.3
73.02921	0.8
78.22598	0.3
81.03420	2.7
81.07023	0.3
83.05002	0.3
84.08126	0.5
85.02907	5.7
87.04454	0.3
89.77868	0.3
95.04948	0.4
97.02901	6.8
98.90752	0.3
99.04473	4.2
102.60291	0.3
103.03944	4.8
109.02873	3.6
115.03933	0.8
127.03923	100.0
128.04282	0.6
133.04965	0.3
137.05989	0.4
139.03935	0.4
145.04967	3.3
147.04402	1.1
148.04773	0.3
155.07173	0.3
163.03915	0.4
163.06030	1.1
177.05594	0.4
187.06044	0.9
205.04997	0.3
223.06033	0.6
271.06039	1.3
271.08243	1.0
289.09348	0.7
307.10181	0.3
317.06525	1.2
344.15353	0.3
433.13467	1.8
437.16702	0.3
565.20190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01871	0.3
57.03439	0.3
57.61286	0.1
59.04987	0.2
69.03430	1.7
70.05029	0.8
70.06593	0.3
71.04999	1.0
72.08152	0.4
73.02905	1.3
81.03422	3.7
83.04956	0.3
84.08125	0.2
85.02909	3.8
87.04443	0.3
93.50868	0.2
97.02901	2.1
98.20800	0.2
99.04457	8.4
101.06023	0.2
103.03954	1.4
105.01866	2.0
109.02882	13.6
109.57981	0.2
110.07166	0.2
120.19318	0.2
127.03918	100.0
128.04199	0.5
129.01802	0.2
136.07669	0.2
145.04951	2.8
147.04413	0.4
151.02368	1.8
163.05974	0.2
168.88745	0.2
169.04927	0.2
175.02396	1.6
187.06056	1.0
205.07079	0.4
213.03983	0.7
217.03510	0.8
218.30499	0.2
223.26231	0.2
223.43692	0.2
231.04951	0.9
241.03603	0.3
253.07138	0.3
259.04507	3.6
271.05731	0.2
271.08340	1.1
277.05640	0.3
289.09189	0.2
317.06378	0.2
403.08722	0.5
509.59073	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	565.1551
Annotation	Kapinnatoside
Peak:m/z	Relative Intensity
53.03890	0.8
55.01812	1.2
57.03354	2.4
61.02868	0.6
64.18756	0.4
65.34734	0.4
68.99730	0.5
69.03344	3.5
69.68552	2.2
70.06538	0.8
71.01306	0.6
71.04933	0.9
72.08095	0.8
73.02844	1.0
73.64124	0.4
81.03335	1.3
81.03786	0.5
85.02808	5.0
86.09646	0.5
87.00777	0.6
87.04375	1.6
89.06035	4.8
90.06322	0.7
91.05418	1.0
97.02889	3.5
98.21509	0.5
107.04887	0.9
109.02798	1.3
111.04388	0.5
115.03838	1.8
119.04881	0.6
121.02853	2.0
125.84390	0.4
127.03918	2.8
133.04979	2.7
133.08624	2.5
134.08879	0.7
136.07504	0.5
137.02274	1.0
141.06818	0.6
145.02768	1.2
145.04900	0.6
147.04308	0.9
149.02356	2.2
153.00769	0.5
153.01836	6.8
159.02885	0.6
159.04384	1.0
163.03712	0.5
165.01752	1.5
169.06409	0.8
177.05490	0.7
177.11133	1.0
181.06375	0.6
183.02805	0.5
185.29030	0.4
187.05934	0.5
187.07597	0.8
191.06926	0.9
197.06087	0.8
198.06682	0.6
213.05438	1.3
215.07047	4.1
225.05397	0.7
226.06232	1.5
227.06812	0.5
228.03970	0.5
241.04868	0.6
241.08592	2.1
243.06520	2.9
253.04967	1.4
254.05608	0.5
258.05289	0.9
265.62747	0.4
269.05399	0.6
269.08066	3.6
271.06015	100.0
272.06345	1.7
274.04889	0.7
287.05518	92.1
287.08905	5.4
288.05850	1.0
301.03354	2.3
302.04205	9.7
302.07495	0.6
313.07117	1.1
317.06567	21.2
317.09747	1.1
433.11295	8.7
448.92401	0.5
482.14203	0.5
533.28046	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42599	0.2
53.03969	0.3
57.03469	0.2
66.01134	0.3
67.05531	0.2
69.03463	0.9
70.02929	0.7
81.03461	1.0
81.07103	0.5
85.02909	1.2
87.00863	0.3
97.02890	1.2
109.02920	0.7
110.03703	0.7
117.42188	0.2
127.03919	1.6
137.02335	1.2
145.04973	0.2
147.02950	0.3
150.03197	0.2
153.01823	1.2
153.05478	0.5
159.02905	0.4
159.11742	0.2
191.08171	0.4
193.01228	0.3
200.04784	0.8
204.04291	0.3
206.92706	0.3
228.04218	2.5
229.04993	1.4
245.04504	1.2
246.05293	0.5
256.03745	0.5
257.04486	1.0
271.05823	0.3
273.03964	0.9
274.04745	4.9
285.03906	2.0
296.65259	0.2
301.03436	12.1
302.04218	49.8
303.04620	1.2
315.08612	0.6
316.08875	0.8
317.06552	100.0
318.06931	1.2
351.12402	0.2
474.01120	0.2
497.97897	0.3
521.12585	0.3
565.11859	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	565.1188
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03944	0.5
57.03420	1.0
68.99781	0.7
69.03438	4.5
69.73801	1.5
69.74210	0.9
71.04983	0.7
73.02911	1.0
74.92942	0.4
81.03423	4.5
85.02917	5.4
87.00817	1.9
97.02896	2.4
98.21558	0.5
99.04453	1.2
105.01872	1.1
109.02882	3.8
110.03642	0.6
127.03927	5.2
129.17119	0.4
136.77673	0.5
137.02374	1.7
145.04897	1.0
146.58994	0.5
153.01865	2.1
159.02890	0.9
187.05981	0.6
210.61792	0.5
211.93724	0.5
213.03992	0.8
228.04150	2.4
229.05014	1.2
245.04439	1.5
256.03687	0.6
257.04419	1.4
273.03802	0.9
274.04736	4.9
285.03949	1.3
301.03482	12.5
302.04230	57.0
303.04572	0.7
315.04874	0.8
316.05649	0.7
316.09103	0.5
317.06577	100.0
318.06967	2.2
359.07669	1.2
479.11884	19.9
480.12131	0.5
521.12976	0.8
547.10724	2.9
565.11829	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	565.1188
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03941	0.3
66.01057	0.2
68.72993	0.2
68.99802	0.2
69.03436	0.5
70.89272	0.5
81.03407	0.4
85.02905	0.5
97.02885	0.5
101.02362	0.3
109.02888	0.7
110.03656	0.7
119.03423	0.7
127.03896	0.8
137.02307	1.3
153.01852	1.5
165.01755	0.3
173.04539	0.2
180.34715	0.2
192.04070	0.3
193.01308	0.5
195.77702	0.2
200.04710	0.6
212.86560	0.2
228.04179	2.3
229.04967	1.2
245.04420	1.3
246.05208	0.3
256.03683	0.8
257.04486	1.2
273.03922	1.0
274.04761	3.9
285.03906	1.1
300.99960	0.4
301.03445	10.4
302.04227	48.4
303.04944	4.1
317.06567	100.0
318.06943	1.7
451.21851	0.2
461.10345	0.3
479.12088	1.4
565.11755	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.5
55.01875	8.4
55.05515	30.1
57.03441	25.1
57.07069	3.8
61.02916	14.9
65.03983	4.4
67.05174	5.5
67.05507	83.8
69.03416	12.8
69.07072	40.1
70.06585	8.6
71.04993	10.6
71.55672	5.1
72.08168	4.3
73.02903	7.0
77.72759	3.7
79.05061	6.1
79.05494	82.8
80.49002	3.5
81.03416	18.5
81.07062	96.8
83.04966	16.9
83.08626	24.4
85.02910	25.0
85.06496	7.4
85.35685	4.1
91.03943	8.0
91.05484	79.8
92.51180	3.6
93.06470	6.8
93.07047	100.0
95.04991	18.9
95.08607	48.9
97.02891	16.5
97.06549	24.2
97.10152	5.5
98.09706	44.8
99.04472	3.4
99.08106	7.8
100.77781	4.2
103.03953	3.7
105.07040	66.5
107.04964	7.5
107.08598	60.7
109.06533	8.6
109.10152	29.0
110.10539	7.3
111.04422	5.9
111.08076	7.3
113.06012	5.0
117.07029	27.4
119.08595	46.7
121.06503	7.8
121.10142	39.8
121.34867	3.2
121.35757	3.3
123.08084	7.5
123.11662	7.5
125.09611	6.0
127.03918	8.0
128.06163	5.1
129.05492	4.5
129.07001	10.5
131.08556	38.0
133.10126	52.8
134.10509	5.7
135.08057	8.2
135.11719	29.7
143.08572	11.1
145.10146	25.5
147.04514	4.2
147.11711	37.3
149.09625	17.9
149.13284	37.6
151.11191	10.2
153.05428	5.2
157.10144	12.8
159.11716	35.7
161.09691	5.4
161.13260	22.4
163.11183	5.8
163.14819	9.0
171.10252	4.9
171.11702	11.2
173.11908	4.1
173.13318	15.6
175.14862	8.8
177.12770	6.3
179.14291	4.2
185.13263	10.7
187.07643	5.0
195.13832	11.6
196.07343	57.5
199.14835	5.0
229.14285	9.6
241.19559	16.6
253.14294	7.2
254.14740	5.9
257.19174	6.8
259.20609	56.8
269.17493	63.7
275.20032	10.0
277.21567	5.2
309.52789	4.2
323.68069	3.7
333.23892	4.7
349.23773	8.4
351.25354	66.4
367.23907	7.4
436.30521	4.9
522.38141	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.7
55.05516	28.9
56.63604	3.2
57.03446	8.7
59.07627	3.3
61.02930	6.5
63.75808	3.3
67.05510	47.7
69.03437	16.6
69.07071	20.8
70.06598	3.9
70.51328	11.4
79.05499	46.8
81.03416	10.6
81.07057	46.0
83.04984	5.6
83.08611	20.4
84.04543	3.7
85.02903	9.5
85.06551	6.4
89.06004	3.7
91.05479	35.8
93.07049	35.7
95.04973	10.1
95.08615	21.4
97.02872	10.1
97.06533	6.5
97.10178	31.6
105.07050	29.3
107.04913	8.6
107.08604	71.4
109.02888	6.2
109.06484	4.8
109.10146	13.0
111.08059	5.1
117.07008	14.5
119.08595	32.8
121.10130	12.0
123.04380	4.7
123.11709	5.0
125.09641	36.1
127.03912	8.8
129.07001	5.7
131.08577	16.3
133.10161	19.1
135.04468	4.2
135.08005	4.2
135.11682	12.1
136.80530	3.6
143.08543	5.1
145.10115	30.6
147.04451	5.1
147.11713	17.4
149.09644	8.9
149.13255	7.8
153.05495	10.1
153.09065	4.3
154.05830	3.5
157.10182	6.0
159.11693	18.3
161.09610	4.1
161.13371	5.4
163.11214	10.0
171.11624	4.3
171.18100	3.6
173.13232	5.1
174.05557	4.6
177.12802	4.1
183.11734	5.9
189.09244	4.7
189.11230	19.2
227.12769	27.6
239.17937	10.5
245.13794	12.9
255.15848	18.2
257.18964	25.0
269.17410	23.2
270.08304	5.8
275.20050	62.9
276.52621	4.0
315.14194	4.9
317.06876	4.5
349.23724	100.0
357.39441	3.5
367.24646	17.3
419.24039	7.0
565.26257	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	14.4
55.05515	30.5
57.03432	24.1
67.05508	86.8
69.03426	14.8
69.07076	43.9
70.73524	8.9
70.73837	9.7
71.04971	7.7
73.02917	8.9
79.05493	86.9
81.03422	27.9
81.07061	81.3
83.04975	19.8
83.08622	23.5
85.02895	17.9
91.05505	53.6
93.07051	75.6
95.04953	16.5
95.08592	46.9
97.02917	9.7
97.06553	29.2
97.10167	18.7
99.08101	6.5
103.03962	7.4
105.07025	58.2
107.04945	16.7
107.08606	46.3
109.02847	8.3
109.06525	13.8
109.10158	15.1
111.08097	10.3
117.07024	30.3
119.08588	41.0
121.06457	13.2
121.10167	22.6
123.08047	7.0
123.11731	7.0
125.09614	14.5
127.03896	15.8
131.08595	34.9
133.06638	7.3
133.10118	42.0
135.08063	9.7
135.11717	35.0
143.08606	8.2
145.10161	30.3
147.11736	17.9
149.09625	20.4
149.13257	19.9
157.10103	8.3
159.11691	38.4
161.13249	10.4
163.11145	17.1
171.10258	7.0
171.11650	11.0
171.23801	6.3
173.13220	16.8
177.12744	25.8
179.14346	12.9
181.12213	8.3
183.11690	9.2
189.11183	12.9
195.13783	20.3
227.12816	16.5
229.19336	6.9
239.17958	15.9
245.13547	8.0
247.20750	10.6
251.16457	7.2
255.15858	48.4
257.19031	23.6
269.17499	93.3
275.20081	77.4
339.18106	13.1
349.23706	100.0
367.24796	14.0
419.24197	10.5
463.10480	6.5
488.73462	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01873	7.7
55.05512	31.3
57.03436	9.3
57.07071	2.9
61.02929	3.3
65.03951	3.2
67.05509	41.7
69.03434	11.3
69.07080	16.4
69.75415	17.4
70.06598	5.2
71.05008	6.4
73.02902	3.1
73.97372	3.6
79.05497	49.2
79.59165	2.8
81.03419	7.7
81.07063	39.7
83.04999	7.7
83.08632	21.7
85.02914	10.3
87.04488	2.8
91.05493	40.2
93.07062	26.8
95.04984	9.2
95.08620	20.0
97.02908	7.1
97.06544	10.0
97.10177	32.9
98.09698	3.5
99.04478	2.9
105.07039	38.8
107.04974	7.6
107.08601	72.0
109.02895	5.2
109.06510	5.9
109.10169	15.8
111.08076	5.0
117.07012	13.8
119.08606	25.3
121.06543	4.1
121.10162	10.8
121.45789	2.8
123.11730	6.8
125.09641	33.5
127.03937	10.0
129.07080	5.9
131.08585	18.5
133.10147	24.3
135.08092	8.0
135.11708	12.1
137.06062	2.8
143.08536	6.8
143.10745	3.8
145.10133	23.4
147.04430	3.3
147.11696	11.9
149.09663	14.2
149.13298	5.4
153.05489	9.8
157.10120	5.1
159.11665	15.2
163.11238	3.3
167.07013	4.5
169.10274	3.4
171.11694	5.6
173.13283	7.0
174.05472	6.2
175.14839	7.1
177.12796	4.1
183.11731	3.7
185.13185	4.9
189.09680	3.9
189.11244	23.6
196.07393	6.9
227.12776	34.2
235.17157	3.8
239.17999	8.9
245.13895	17.3
255.15942	18.3
257.19019	23.5
269.17529	19.7
270.08353	3.8
274.37433	3.4
275.20071	58.5
302.04074	5.1
315.14520	3.8
317.06564	9.8
331.22385	4.6
349.23752	100.0
367.24738	17.5
389.17960	3.9
417.21027	3.1
419.24210	5.3
448.06818	2.8
450.92599	3.0
564.23688	6.4
593.95044	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	564.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04206	0.8
59.05006	6.0
67.95567	0.7
67.95920	0.8
69.03437	2.8
70.06598	8.8
71.54292	1.0
72.08157	3.7
73.06535	1.2
79.05537	1.0
81.03418	2.5
84.04519	0.9
84.08138	2.2
85.02894	4.3
86.09737	2.2
87.04487	3.2
89.06039	100.0
91.05486	4.1
93.07076	0.9
94.60835	0.7
96.04458	1.2
97.02897	8.1
97.06538	1.5
103.07586	2.2
107.07094	1.5
107.08591	0.9
109.02901	1.2
116.07107	1.3
118.48498	0.9
119.04958	6.8
123.04433	0.8
124.03983	4.0
127.03922	3.3
133.08614	59.1
135.04485	0.9
138.05495	1.2
147.04420	31.5
147.10144	1.4
148.04756	1.2
162.05386	0.9
163.03935	3.6
167.07079	1.1
177.11240	18.8
178.04985	1.2
209.02690	2.4
220.06033	1.5
221.13960	4.0
238.18019	1.2
239.14876	3.6
268.08194	1.2
271.05957	4.0
283.17468	4.7
287.13998	1.2
317.06683	1.5
327.20166	53.7
331.97128	0.9
367.23141	0.9
385.24313	28.8
414.11584	1.4
564.20178	1.4
588.56622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.2
51.39184	0.2
53.01375	0.2
57.03434	0.3
60.80056	0.2
61.02927	0.3
69.03432	1.7
69.15816	0.2
69.96922	1.0
70.06590	1.8
70.42193	0.2
72.08149	0.2
73.02873	0.3
78.03462	2.1
80.05019	0.5
80.78805	0.2
81.03420	0.4
81.07065	0.2
83.04980	0.4
84.04172	0.2
84.08138	0.4
85.02907	0.8
91.05463	0.9
95.05001	0.2
96.04489	0.6
97.02896	100.0
98.03236	0.6
98.20824	0.4
99.04460	0.3
101.86952	0.2
106.02919	7.2
109.02882	0.3
111.04461	0.3
115.16220	0.2
116.07098	0.9
119.04970	1.8
121.06494	0.3
122.06070	0.3
123.04427	0.7
124.03050	0.4
124.03963	8.3
127.03915	0.6
136.07570	0.3
147.04427	5.2
153.12698	0.2
165.05542	0.3
178.04951	0.2
188.40909	0.2
196.06050	0.5
220.06053	24.6
221.06480	0.3
238.07120	4.1
254.06686	1.1
256.08075	0.6
271.05948	0.3
315.08618	0.3
316.09061	0.5
382.11224	0.4
400.12390	7.5
431.51855	0.2
442.85519	0.2
532.28845	0.3
564.17340	0.3
564.30927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11761	1.3
53.03945	2.5
55.01854	2.4
55.05304	1.3
55.05518	15.6
57.03439	7.0
57.07068	3.0
65.03930	1.9
67.05511	57.9
69.03423	1.8
69.07070	17.8
69.47523	9.0
69.47933	3.1
71.04999	1.8
79.05064	2.8
79.05499	35.7
81.03432	2.0
81.07064	100.0
83.04974	6.6
83.08620	9.2
85.06538	5.8
91.04969	2.4
91.05486	31.7
93.07055	35.0
93.07648	3.0
95.04961	5.8
95.08615	43.9
97.06521	6.2
97.10112	1.9
98.20654	2.5
99.08090	4.0
105.06387	2.7
105.07043	37.4
107.08604	29.4
109.06513	4.6
109.10163	19.5
117.07021	5.8
119.08591	31.9
121.10155	26.0
123.08090	3.3
123.11717	24.9
129.07047	2.2
131.08582	11.7
133.10175	11.1
135.08023	1.6
135.11723	11.4
137.13248	5.3
141.80621	1.6
145.10150	11.3
147.11703	47.7
149.13235	8.7
155.08562	1.7
156.22459	1.3
157.10153	3.6
159.11687	7.1
161.13260	5.8
163.14821	4.0
165.12761	22.5
173.13269	6.0
175.11246	2.3
175.14883	1.8
177.16316	1.6
183.13770	2.1
187.14845	3.8
201.16463	2.0
221.86829	1.5
229.14360	5.3
243.21094	6.0
261.22131	32.1
267.15948	34.1
279.23233	3.8
285.16986	36.9
317.25009	8.5
335.25800	33.9
353.10202	1.5
353.26819	3.3
453.33527	3.0
471.34689	3.4
471.63474	1.6
498.26489	1.5
527.37622	7.1
545.38293	20.3
563.38257	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	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49782	1.3
53.03945	2.2
55.01873	2.1
55.05313	1.5
55.05515	16.8
57.03432	7.3
57.07068	3.2
65.03925	2.9
67.05508	70.7
69.07075	18.6
69.48575	7.7
71.04980	4.5
79.05495	36.0
81.07060	100.0
83.04974	5.6
83.08627	9.9
84.64257	1.3
85.06537	5.7
89.88444	1.3
91.05484	34.2
93.07050	39.8
95.04968	5.1
95.08611	48.9
97.06534	7.8
97.10181	2.8
99.08098	5.5
105.04565	1.8
105.07038	42.2
107.08604	28.5
109.06525	5.6
109.10168	19.4
111.08102	2.4
113.05975	1.4
114.65520	1.4
117.07044	7.4
119.08581	35.5
121.09315	2.2
121.10152	32.6
123.08040	3.9
123.11722	32.1
127.07519	2.9
129.07028	2.0
131.08546	11.8
133.10143	9.1
135.11725	10.3
137.13242	4.3
145.10120	8.1
147.11694	60.7
147.39226	1.3
149.13246	6.5
150.84935	1.3
157.10147	2.9
159.11674	6.6
161.13252	5.1
163.14854	3.1
165.12769	24.4
173.13222	4.5
175.11230	1.9
175.14841	1.5
177.16441	2.0
183.13844	3.0
187.14845	4.9
229.14386	4.8
233.22633	1.7
243.21124	5.4
261.22144	31.8
267.13016	1.9
267.15912	39.1
279.23193	5.1
285.16989	43.5
317.24814	8.9
335.25827	36.0
353.26791	3.6
387.52554	1.2
453.33533	4.4
471.34482	4.4
527.37842	6.4
545.30579	1.7
545.38367	23.9
563.39819	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
55.01871	3.3
55.05515	19.1
57.03432	7.5
57.07070	2.9
65.03938	2.9
67.05506	67.7
69.03436	3.7
69.07067	20.7
69.55115	9.6
71.04990	4.0
72.15347	1.5
75.78940	1.5
79.05496	37.9
81.03413	2.5
81.07059	100.0
83.04979	3.7
83.08617	11.2
85.02889	2.6
85.06566	3.7
91.04967	2.7
91.05492	32.5
93.07047	40.2
94.07369	2.2
95.04971	7.5
95.08612	53.1
97.02856	2.9
97.06524	6.6
97.10162	4.1
99.08098	3.5
105.07043	33.1
105.50344	1.8
107.04937	2.4
107.08596	29.5
109.02874	1.7
109.06510	3.0
109.10163	20.9
111.08056	2.2
117.07022	9.2
119.08578	25.8
121.06438	1.9
121.10150	27.7
123.08081	4.0
123.11716	26.0
131.08591	10.6
133.10141	16.8
135.08121	1.8
135.11699	16.6
137.13266	5.1
142.07730	1.9
143.08598	2.0
145.10106	11.7
147.11702	41.9
149.09578	2.0
149.13280	8.2
156.09393	1.9
157.10156	4.6
159.11714	7.3
161.13255	5.0
163.07683	1.7
163.11234	2.9
163.14864	3.4
164.11661	1.9
165.12761	16.8
169.10124	3.0
171.11728	1.7
173.13275	6.4
175.14822	2.6
177.16370	1.9
181.10149	1.9
181.12155	1.7
183.13815	2.9
185.13202	1.7
187.14876	3.0
195.11540	1.8
199.14861	2.1
221.13269	2.2
227.12840	4.1
229.14351	5.5
243.21121	7.4
261.22177	25.6
267.15936	36.2
279.23199	4.6
285.16953	29.5
317.24792	8.9
335.25812	43.3
336.26251	2.7
337.26404	2.6
378.29697	2.0
435.32193	1.8
453.33566	2.5
465.33484	1.7
471.34750	3.4
512.05505	1.7
527.37329	4.7
545.38239	25.1
563.39172	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	563.176
Annotation	Glycyroside
Peak:m/z	Relative Intensity
55.01873	0.1
67.64952	0.0
68.99779	0.1
69.03445	0.1
70.06588	0.1
70.44666	0.2
72.08153	0.1
79.05519	0.1
81.03399	0.1
85.02874	0.1
89.03915	0.1
90.04729	0.1
95.04970	0.1
97.02910	0.1
99.26755	0.0
103.05483	0.1
107.04964	1.5
108.02103	0.2
115.03908	0.1
117.03284	0.1
118.04167	2.6
123.04421	0.2
133.02840	0.2
133.04936	0.1
133.06476	0.4
136.01579	0.4
137.02336	0.9
139.17667	0.1
145.02827	0.1
147.04431	0.1
152.06122	0.1
153.05452	0.1
153.06998	0.1
154.02620	0.9
155.08638	0.1
156.05658	0.3
157.06544	0.1
158.07266	0.1
163.03917	0.4
165.06894	0.1
167.08693	0.1
169.06494	0.1
170.07312	0.3
173.89362	0.1
177.05507	0.2
181.06557	0.5
182.07265	0.4
183.08060	0.1
184.05186	0.2
185.09648	0.2
195.08084	0.2
197.05969	1.2
198.06786	0.8
199.07568	0.1
202.10890	0.0
209.05965	0.1
210.06915	0.1
213.09119	5.4
214.09508	0.1
223.07378	0.1
225.05482	0.6
226.06242	3.0
237.05472	4.9
238.05959	0.1
239.06894	0.1
241.08505	0.3
252.07904	0.1
253.04970	3.7
254.05751	6.1
255.06076	0.1
258.05188	0.1
269.08087	100.0
270.08435	1.8
301.07059	0.3
314.13745	0.1
431.13474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
54.02105	1.1
55.01870	2.4
55.05512	18.1
56.22963	1.2
57.03439	7.4
57.07080	2.9
65.03940	2.6
67.05508	63.7
67.05872	3.1
68.19267	1.2
69.07072	16.5
69.57725	1.2
69.87866	2.3
69.88258	3.2
71.04991	4.1
72.93367	1.3
79.05492	38.2
81.03392	1.7
81.07060	100.0
83.04971	5.8
83.08634	9.4
85.06541	4.0
91.05482	29.5
93.07047	41.3
94.19874	1.2
95.04974	5.0
95.08608	48.4
97.06525	5.2
97.10135	2.9
97.26591	1.2
99.08095	4.6
105.04598	1.4
105.07032	36.3
107.07874	1.8
107.08596	28.1
109.06505	4.9
109.10153	21.3
111.08066	2.7
113.06039	1.7
117.07018	5.7
119.08585	29.9
121.10148	30.5
123.08047	3.7
123.11712	24.0
125.09628	1.3
127.07594	2.3
129.07010	1.7
131.08563	11.4
133.10117	11.5
135.08063	1.5
135.11685	11.5
137.09608	1.3
137.13237	5.1
145.10136	9.8
147.11690	51.1
149.09680	2.1
149.13237	6.8
157.10172	3.4
158.50244	1.5
159.11700	8.4
161.13251	3.6
163.11147	1.8
163.14732	3.2
164.57298	1.3
165.12772	28.2
173.13234	6.3
175.14856	2.2
183.13786	3.7
187.14825	2.9
193.12234	3.6
201.16348	1.6
229.14342	5.8
233.22612	1.8
243.21024	7.7
261.22174	32.6
267.15915	38.4
277.21667	1.6
279.23218	5.7
285.16977	40.3
317.24561	7.6
335.25797	38.7
353.26782	3.8
435.31915	1.5
453.33807	1.6
471.34714	5.2
495.66757	1.8
527.37170	4.5
545.38361	20.4
563.39459	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	563.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	0.2
52.01408	0.2
53.03961	0.3
55.01900	0.3
55.05508	0.4
57.03470	0.2
67.05511	0.7
68.99804	0.6
69.03432	0.7
69.07090	0.2
70.06600	0.4
71.55179	0.2
72.08167	0.5
79.05501	0.5
81.03419	1.2
81.07050	0.8
83.04995	0.2
83.08626	0.2
84.08143	1.1
85.02913	0.9
87.00834	0.3
91.05493	0.8
93.07056	0.7
95.05003	0.5
95.08616	0.6
97.02913	1.1
98.09674	0.3
99.04494	0.2
103.05511	0.2
105.01869	0.2
105.07047	0.9
107.04985	0.4
107.08607	0.7
109.02891	0.7
109.10168	0.7
115.05464	0.2
119.04984	0.3
119.08599	0.4
121.06511	0.2
121.10163	0.4
123.04444	0.5
123.08080	0.2
123.11707	0.3
127.03922	1.1
131.04921	0.3
131.08563	0.3
132.05695	1.4
133.02789	0.2
133.06471	0.9
133.10124	0.4
135.04402	0.4
135.08124	0.2
137.06018	0.3
138.03049	0.2
140.01060	0.4
143.08525	0.2
143.09816	0.2
145.05055	0.2
145.10126	0.4
147.04416	0.7
147.11647	0.2
149.05974	0.3
153.01888	0.3
153.05473	2.6
157.10165	0.3
159.02910	0.3
161.05992	0.7
161.09702	0.2
163.03951	0.4
164.33939	0.2
167.07053	0.8
168.00560	2.1
171.08064	0.2
171.11554	0.2
173.09598	0.2
177.05472	0.4
186.01637	2.0
189.09106	0.9
191.07007	0.3
193.08621	0.4
196.07381	0.3
198.06776	0.3
201.05586	0.2
213.09067	0.2
226.06226	0.4
229.04932	0.9
237.05647	0.3
241.04823	0.2
243.06537	0.2
254.05830	1.1
255.06500	0.3
257.04440	1.7
257.45850	0.2
259.09570	0.2
269.04559	0.5
269.08093	2.8
270.05222	0.3
271.05966	1.0
272.06750	1.3
282.05182	0.8
283.06018	0.2
285.03952	6.4
297.07581	0.2
299.05518	6.8
300.06293	53.1
301.06635	0.5
302.04248	0.3
315.08624	100.0
316.08917	1.3
353.13824	0.5
401.33597	0.3
453.62271	0.3
526.52869	0.2
563.21967	0.3
563.37952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63435	0.1
56.95978	0.1
57.03410	0.1
59.04988	0.2
67.05491	0.2
68.99764	0.2
69.03403	0.2
69.07029	0.1
70.06579	0.6
71.04990	0.1
71.54973	0.1
72.08171	0.6
73.02895	0.1
78.66606	0.1
79.05462	0.2
81.03374	0.2
81.07037	0.2
85.02872	0.3
86.09676	0.2
87.04443	0.2
89.06025	0.2
91.05464	0.3
93.07011	0.2
95.04935	0.2
95.08606	0.2
97.02863	0.4
97.06528	0.1
99.04420	0.2
107.08550	0.2
109.02831	0.2
111.04504	0.1
117.05470	0.2
117.07023	0.1
117.45708	0.1
120.08076	0.3
121.06505	0.2
121.10075	0.1
123.00748	0.3
123.04382	0.2
125.02316	0.1
127.03847	0.2
128.07063	0.2
133.08569	0.2
133.10103	0.1
134.03636	1.1
135.04381	0.1
137.05969	0.2
138.03104	0.2
139.05365	0.1
145.02838	0.2
145.06525	0.1
147.04376	0.3
148.05176	0.2
149.05974	0.2
151.03860	0.3
152.01003	0.1
153.05460	0.2
154.55305	0.1
155.04883	0.2
163.03891	0.4
164.07076	0.1
166.02579	0.4
167.01965	0.2
167.03424	3.8
167.04880	0.5
169.01308	0.4
169.81525	0.1
170.03595	0.1
171.04385	0.2
173.05962	0.2
175.03951	0.5
177.05467	0.1
183.04300	0.1
184.03687	2.9
184.05182	0.3
187.07524	0.2
195.04379	0.3
199.07477	0.2
201.05522	0.5
208.59612	0.1
211.03841	0.2
212.04697	1.0
213.05428	0.2
215.07030	0.3
216.07805	0.9
223.03897	0.3
227.07007	1.1
229.04980	1.2
240.04211	1.7
241.04976	0.2
242.05885	0.1
243.06546	3.2
244.07312	2.7
254.05815	0.3
255.06566	3.2
257.04370	0.6
259.09677	1.2
267.02890	0.6
268.03693	1.6
269.08063	0.7
271.06015	0.9
272.06784	1.5
283.06033	3.4
285.04068	0.6
286.04788	0.2
287.09134	0.2
299.05502	3.1
300.06290	20.5
301.06650	0.3
315.08618	100.0
316.08942	1.3
563.33099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01883	0.4
67.05505	0.3
68.99790	0.3
69.03430	1.1
70.04997	1.2
70.06588	1.5
72.08154	1.0
79.05473	0.4
81.03410	1.5
81.07024	0.5
83.04964	0.5
85.02904	1.4
86.09679	0.5
89.03925	1.0
91.05477	0.6
93.07069	0.5
95.04972	0.7
95.08588	0.5
96.02126	0.5
97.02905	1.1
99.04449	0.4
105.07028	0.7
107.04939	0.4
107.08618	0.6
109.02863	1.0
109.10162	0.4
111.04434	1.0
111.08127	0.3
117.03371	2.6
119.04929	1.4
119.08601	0.6
121.06496	1.4
123.04472	0.4
127.03928	1.0
131.08540	0.3
133.02879	0.4
133.10129	0.4
134.03604	0.4
135.04428	0.6
135.11694	0.4
137.05972	0.8
137.92130	0.3
139.03896	2.1
145.02861	7.4
147.04472	0.6
147.11736	0.4
147.43144	0.3
148.05193	2.4
149.06012	1.7
151.03900	0.4
152.01088	1.3
153.05469	0.7
155.11894	0.3
159.08067	0.4
163.03915	1.9
167.03423	7.9
167.07156	0.3
171.08060	0.4
175.03929	5.1
177.05486	17.3
195.06528	0.4
199.07516	0.6
201.05428	0.4
212.04683	0.3
213.05563	0.5
213.09145	0.5
216.07776	0.5
217.04916	0.4
226.06270	0.6
227.07085	1.3
229.05042	0.3
230.05861	0.4
240.04155	1.8
243.06476	0.5
244.07346	0.8
253.04868	0.4
254.05759	0.8
255.06570	4.2
256.07224	0.5
257.04373	0.6
259.09628	2.7
269.08087	4.9
271.05948	0.4
272.06870	2.4
282.05255	1.1
283.06107	0.6
285.07535	0.6
287.09259	1.1
288.19409	0.3
297.07861	0.4
300.06281	5.4
315.08636	100.0
316.08890	1.5
321.09781	0.7
339.10840	0.9
396.25586	0.4
401.11877	0.4
454.34937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93871	0.1
53.03895	0.1
55.01872	0.2
55.05499	0.2
64.70249	0.1
65.03930	0.2
66.83743	0.1
67.05487	0.2
68.99779	0.4
69.03439	0.3
69.07044	0.1
70.06576	0.4
70.71240	0.1
70.71556	0.2
70.80550	0.1
72.08146	0.3
79.05493	0.2
81.03444	0.2
81.07060	0.2
83.04985	0.2
85.02891	0.2
86.09726	0.1
87.31313	0.1
91.05482	0.3
92.76483	0.1
93.07010	0.2
95.04967	0.4
95.08580	0.2
96.02117	0.2
97.02880	0.3
97.06538	0.1
105.07039	0.3
107.01303	0.1
107.04952	0.3
107.08569	0.2
109.02877	0.2
111.04443	1.4
118.04148	0.2
119.04951	1.7
121.06519	1.4
121.10165	0.1
123.04423	0.2
123.11708	0.1
124.01550	0.2
124.69277	0.1
125.55022	0.1
126.03159	0.1
127.03919	0.1
128.06198	0.1
131.04970	0.1
133.02864	0.4
133.06413	0.2
133.10118	0.1
134.03600	0.3
135.04408	0.5
137.05983	0.4
139.02919	0.2
139.03911	2.2
145.04897	0.1
147.04405	0.2
148.05188	2.3
149.05991	0.7
151.03888	0.5
152.01059	1.4
153.01787	0.1
153.05446	0.4
163.03900	1.8
167.03412	7.6
171.08018	0.3
175.03912	5.8
177.05489	0.2
179.03389	0.3
182.07339	0.1
184.03777	0.2
184.05241	0.3
185.04398	0.2
197.06053	0.1
198.06784	0.5
199.07628	0.7
200.03244	0.2
201.05440	0.2
203.06792	0.1
211.07600	0.2
212.04678	0.6
213.05492	0.4
213.09096	0.5
216.07751	0.3
226.06262	0.9
227.06999	1.5
229.04939	0.6
230.05786	0.5
231.06631	0.2
237.05482	0.3
240.04193	2.0
241.04892	0.2
241.08626	0.2
243.06558	0.9
244.07289	1.0
253.04965	0.4
254.05739	1.0
255.06526	4.9
256.07208	0.4
257.04449	0.9
257.08270	0.1
259.09671	4.0
268.03586	0.3
269.08093	7.2
270.08331	0.2
271.06055	0.3
271.09656	0.2
272.06805	2.1
282.05234	1.3
283.05984	0.5
285.04239	0.1
287.09167	1.5
297.07507	0.5
298.89459	0.1
299.05548	0.2
300.06284	5.5
315.08612	100.0
316.08923	1.5
360.14310	0.1
563.13538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
55.01873	7.4
55.05513	9.4
57.03434	10.5
65.03928	3.1
67.05170	4.1
67.05509	51.3
69.03440	5.2
69.07070	13.2
70.06599	2.5
71.04993	4.5
72.08159	4.8
73.02925	2.9
79.05499	27.9
81.03416	10.7
81.07065	42.5
83.04981	10.3
83.08144	2.6
83.08628	6.7
85.02920	5.5
85.06582	3.2
91.05490	42.4
93.07062	28.5
95.04974	11.5
95.08616	16.0
97.02911	3.2
97.06539	3.9
97.10189	4.1
98.09699	3.2
98.20699	4.7
99.04437	3.4
105.07047	35.7
107.04967	7.3
107.08604	31.7
109.06540	5.9
109.10165	40.7
111.04435	2.5
111.08092	4.2
117.07009	3.9
118.53013	2.1
118.86479	2.1
119.08601	11.0
121.06503	3.1
121.10136	9.4
123.08080	4.3
123.11713	9.2
125.09634	2.5
129.07071	3.6
131.08578	10.6
133.06493	6.1
133.10153	47.2
135.08047	8.0
135.11705	3.6
143.08591	2.4
145.10132	6.5
147.07970	2.7
147.11702	4.7
149.09642	8.8
151.11192	27.6
157.10210	3.6
161.09662	5.9
161.13321	2.1
169.12183	3.1
175.11214	2.8
177.09169	4.1
179.10609	3.4
189.12761	2.7
211.13248	3.3
215.12846	3.0
229.14413	3.3
245.19096	4.6
249.27058	2.6
253.14374	98.7
263.20126	4.2
267.16022	3.8
269.13922	5.1
271.15494	17.1
273.18484	18.7
285.16815	2.7
291.19479	17.9
347.22278	5.3
365.23270	100.0
477.28613	3.4
536.31250	2.7
544.37103	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	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01876	8.8
55.05514	14.2
57.03431	10.0
57.07051	2.0
59.04977	1.7
61.02926	3.2
65.03924	2.5
67.05505	56.3
67.13562	1.2
69.03429	9.5
69.07071	13.0
69.37756	5.6
69.38179	5.2
70.06583	1.7
71.04981	5.3
72.08153	4.2
73.15511	1.4
74.48803	1.3
79.05495	27.3
81.03422	14.3
81.07059	52.8
83.01347	1.8
83.04989	11.5
83.08648	6.9
85.02913	7.1
85.06525	6.8
87.04449	1.5
89.10780	1.4
91.05485	48.4
93.07048	31.2
95.04966	11.6
95.08614	18.3
97.02879	3.4
97.06549	6.5
97.10172	1.9
99.04436	3.8
103.03979	1.8
105.07034	41.3
107.04942	6.0
107.08601	36.0
109.02898	7.6
109.03555	1.7
109.06517	10.4
109.10162	52.0
111.04423	2.2
111.08065	4.7
113.06004	2.9
117.07022	5.9
119.08575	9.8
121.06491	5.5
121.10123	7.2
122.13977	1.2
123.04492	2.0
123.08044	2.5
123.11714	8.9
124.82221	1.3
125.09618	3.5
127.03948	9.7
127.07565	2.5
129.05466	1.7
129.07008	5.8
131.08595	15.8
133.06480	5.9
133.10138	68.5
135.08055	6.9
135.11691	5.4
137.09552	2.3
143.08536	3.9
145.10139	5.1
147.08078	4.1
147.11668	4.2
149.09608	7.6
151.11189	32.8
153.05420	2.4
157.10091	2.9
159.08037	3.9
159.11717	1.4
161.09663	7.8
161.13257	1.9
163.11139	2.7
169.12279	5.1
171.11688	3.9
175.11177	3.8
177.09119	4.1
179.10739	2.1
184.12587	1.3
187.07521	3.7
189.12750	2.4
204.51952	1.5
205.08571	2.1
211.13211	1.7
215.12717	6.6
217.19511	1.5
227.18202	1.5
245.18983	4.5
253.14354	100.0
255.17546	1.8
262.90707	1.5
263.20074	7.0
269.13980	3.4
271.15390	16.1
273.18546	21.3
285.17087	2.8
291.19528	26.6
323.14847	2.5
341.15912	5.5
347.22101	5.0
358.49057	1.6
365.23230	58.5
383.24249	2.6
435.23572	4.7
453.24677	2.7
472.46899	1.4
486.89291	1.4
562.21277	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	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01865	2.3
55.05517	11.7
57.03443	1.9
59.16666	0.8
61.02914	1.5
65.03955	0.8
67.05510	11.1
69.03436	5.4
69.06739	0.7
69.07076	12.9
69.76036	3.9
70.06613	0.9
71.04985	1.8
71.29451	0.8
72.08147	1.7
79.05502	10.8
79.82066	0.7
81.03422	6.5
81.07059	9.8
83.04955	2.0
83.08620	5.5
85.02896	2.7
85.49754	0.9
89.10778	0.9
91.05492	7.8
93.07057	8.0
95.04987	4.6
95.08622	5.2
97.02906	5.7
97.06547	1.6
97.10172	7.9
97.71314	0.9
98.09676	1.0
98.21450	1.2
98.67953	0.8
105.07034	8.5
107.04958	3.3
107.08611	6.6
109.02866	2.6
109.06550	1.5
109.10156	4.1
111.08083	1.4
117.07008	2.3
119.04897	1.1
119.08583	6.5
121.06495	2.5
121.10146	3.4
123.08053	1.0
125.09640	5.6
127.03917	5.2
128.06175	0.8
129.07010	2.1
131.08569	3.8
133.06462	1.7
133.10150	2.2
135.08078	2.6
135.11766	1.1
137.09645	1.5
143.08582	2.3
145.10129	3.9
147.08035	3.0
147.11687	1.2
149.09612	2.2
153.09128	0.8
157.10104	1.9
159.11711	1.5
161.09645	1.4
163.11171	1.6
169.12218	1.2
171.11693	1.4
180.77953	0.8
183.75905	0.8
189.11212	3.4
189.12715	0.8
193.12271	2.3
205.12201	1.7
211.13338	1.3
223.13327	10.8
227.12766	3.0
240.35414	0.8
249.14912	2.9
267.15936	1.4
273.18478	9.6
285.17014	4.1
291.19565	100.0
292.19922	1.7
347.22119	1.4
365.23270	45.7
399.21909	1.0
434.09546	0.8
435.24020	6.1
476.08569	0.9
553.53174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.8
53.48704	1.2
55.01876	5.0
55.02504	1.2
55.05267	1.5
55.05513	19.7
57.03437	5.2
65.34636	1.5
67.05513	19.1
69.03424	7.0
69.07070	22.1
70.06580	1.5
70.12859	5.8
72.08165	2.7
79.05494	19.6
79.41630	1.6
81.03425	9.3
81.07065	15.7
83.04982	5.5
83.08615	7.4
85.02906	4.5
91.05479	12.4
93.07032	11.6
95.04993	6.5
95.08603	8.1
97.02887	8.6
97.06535	4.0
97.10176	11.3
98.09704	11.2
98.20834	1.7
105.07036	8.9
107.04961	4.8
107.08595	11.9
109.10159	6.4
111.08109	2.2
113.76643	1.5
117.07042	4.2
119.08583	9.4
121.06535	2.1
121.10155	5.5
123.08078	2.0
123.11703	1.7
123.54652	1.5
125.09635	8.6
129.07054	2.8
131.08577	7.0
133.06497	3.2
133.10190	3.7
135.08080	3.8
135.11652	2.3
137.09608	2.6
143.08606	2.3
145.10152	3.1
147.08043	3.7
147.11678	3.2
149.13257	2.0
157.10175	2.3
159.11639	1.8
163.11255	2.3
175.11182	2.3
187.07347	1.5
189.11214	5.0
191.35222	1.4
193.12276	5.8
196.07314	11.6
205.12282	1.8
211.13264	3.2
223.13312	15.4
227.12743	4.0
239.57030	1.4
267.15894	6.3
273.18411	10.0
283.15652	1.7
285.17072	11.1
291.19565	84.0
293.13962	1.6
365.23230	100.0
383.24445	1.8
459.27246	1.7
527.28619	2.5
562.31458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01859	3.5
55.05513	13.2
57.03423	3.5
61.02926	2.5
66.61428	1.0
67.05511	13.6
69.03439	6.2
69.07076	14.7
69.56659	6.9
71.04992	1.9
71.08320	1.0
72.15757	1.0
73.02917	1.4
79.05496	16.9
81.03419	8.4
81.07063	15.3
82.14422	1.0
83.04980	4.4
83.08624	6.2
84.08185	1.0
85.02898	3.0
91.05492	11.4
93.07042	13.3
95.04957	7.3
95.08618	8.5
97.02904	6.4
97.06544	2.9
97.10184	9.7
98.09670	1.3
99.04467	0.9
103.05486	1.1
105.07027	10.3
107.04972	5.4
107.08593	9.1
109.02869	2.1
109.06510	2.9
109.10144	6.1
111.04471	1.1
111.08085	2.3
115.05382	1.2
117.07050	3.9
119.08594	8.4
121.06510	2.6
121.10152	4.9
123.08087	4.0
125.09629	5.7
127.03928	6.4
127.07541	1.2
128.79883	1.0
129.07040	3.0
131.08566	6.4
133.06468	2.1
133.10129	3.9
135.08044	2.7
135.11716	1.7
143.08589	3.0
145.10124	4.7
147.07968	5.1
147.11690	2.1
149.09628	2.3
153.09151	1.1
157.10146	2.8
159.11665	1.4
161.09669	2.3
163.11212	2.9
165.09113	2.2
169.12210	1.7
171.11578	1.3
175.11168	1.7
177.12788	1.6
189.11198	4.1
193.12234	3.8
195.13745	1.3
196.07350	2.2
205.12236	1.4
207.95720	1.1
211.13310	1.5
223.13290	9.8
227.12769	3.9
229.14355	1.7
245.18933	1.4
249.14854	2.9
255.17279	1.4
267.15967	2.8
273.18497	15.1
281.13046	1.0
285.16989	5.7
291.19559	100.0
292.19983	2.2
347.22192	1.9
365.23264	63.6
409.29575	1.2
435.23697	3.5
452.79053	1.2
473.26065	1.6
555.53583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.6
55.05524	16.9
57.03427	13.4
67.05508	32.9
68.90385	3.1
69.03416	11.1
69.07074	24.0
70.06593	8.1
70.46056	12.0
71.04980	3.5
72.08151	8.2
73.02882	3.6
76.55858	3.4
79.05489	27.5
81.03404	11.6
81.07062	31.2
83.04963	6.9
83.08609	10.1
85.02905	7.5
86.09724	3.5
91.05471	25.7
93.07062	21.6
94.86291	3.4
95.04967	11.7
95.08582	13.5
97.02895	11.8
97.06517	6.4
97.10175	18.7
98.09693	6.8
102.26279	3.5
105.07025	15.4
107.04926	9.8
107.08607	17.8
109.06493	5.1
109.10162	15.9
111.04488	3.6
117.06978	5.9
119.08617	16.8
120.08084	4.9
121.06479	5.9
121.10146	9.0
123.08070	6.5
125.09611	11.2
127.03893	3.6
127.07560	6.0
131.08534	9.2
133.10136	7.3
135.08066	6.4
135.11659	6.1
141.59525	3.6
143.08478	3.5
145.10164	8.8
147.08044	7.3
147.11671	8.9
153.05504	5.0
159.11693	4.5
161.09575	4.8
163.11169	7.2
165.12720	4.9
185.75996	3.4
189.11188	4.3
196.07326	15.3
196.09036	3.6
196.32065	3.7
211.13272	3.8
223.13277	12.1
227.12779	10.4
229.14348	8.8
273.18463	12.2
283.15442	3.6
285.16843	6.4
291.19577	85.6
299.90216	4.4
347.22226	7.7
365.23227	100.0
509.27106	5.0
562.33838	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	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46127	1.7
53.03942	7.5
55.01875	2.9
55.05514	21.3
57.03422	4.1
57.07082	2.2
61.02918	2.1
64.05708	1.6
65.03947	4.3
67.05508	83.5
69.03426	4.0
69.07070	18.0
69.85761	2.9
69.86164	6.0
71.04998	47.0
71.08640	3.5
79.05495	60.9
79.05962	3.3
81.03432	3.4
81.07062	100.0
83.04998	14.2
83.08606	13.0
83.85949	1.6
85.06550	8.8
87.04452	2.1
91.05485	67.9
93.07047	73.1
93.07635	3.8
95.04964	10.0
95.08612	32.1
97.06553	9.7
97.10204	4.7
99.08097	4.1
105.07032	38.6
107.04930	3.0
107.08601	37.5
109.06523	5.8
109.10157	18.1
111.08080	4.7
117.07014	11.2
118.42171	1.8
119.08583	17.7
121.06516	2.4
121.10146	20.9
123.08059	3.8
123.11719	18.2
125.09610	3.9
129.07079	1.6
131.08574	16.1
133.10130	36.0
135.08008	1.8
135.11684	13.5
139.11240	2.4
143.08611	1.7
145.10123	8.3
147.11664	9.2
149.09615	2.4
149.13277	15.8
151.11188	14.0
153.12738	1.8
157.10165	2.5
159.11729	13.0
161.13260	7.7
163.11232	1.9
172.96552	1.7
173.13234	5.1
177.12805	4.3
179.14377	3.2
183.12228	3.0
183.13786	15.9
195.13806	5.5
213.14674	1.8
243.20921	1.8
261.22232	4.5
269.17542	2.5
275.20099	2.9
283.19189	4.0
285.17123	3.8
293.21112	5.2
320.71002	1.7
336.18796	1.5
361.48581	2.1
363.25262	2.2
390.85052	1.7
451.15048	1.8
517.38922	23.1
529.38953	12.4
543.37018	4.8
561.24396	17.0
561.41705	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01876	6.4
55.05513	26.6
57.03428	9.8
57.07070	5.7
57.82361	1.9
63.33197	2.0
65.03931	5.9
67.05509	79.9
68.13197	1.8
69.03425	3.2
69.06728	2.1
69.07072	24.5
70.14181	6.2
70.14557	3.7
71.05001	15.2
71.08643	4.1
77.03905	2.4
79.05496	76.2
81.03427	5.5
81.07059	93.2
83.04989	7.3
83.08609	13.6
85.06542	4.0
89.06025	2.4
91.05487	45.0
93.07048	86.2
95.04988	12.0
95.08611	74.2
97.02885	2.7
97.06535	10.2
97.10178	4.6
99.04489	3.8
99.08095	3.0
101.44598	2.1
103.05498	2.3
105.07040	35.2
107.04959	7.8
107.08598	59.9
109.06557	5.1
109.10157	27.3
111.04451	3.1
115.05526	2.5
117.07007	18.6
119.08585	25.5
121.06506	7.1
121.10155	35.2
123.08081	2.8
123.11720	13.0
125.06010	2.5
125.09595	2.9
129.07021	4.1
131.08556	19.4
133.10132	21.3
135.08083	6.3
135.11703	54.5
139.11128	3.2
143.08582	3.6
145.10130	36.7
147.11682	13.1
149.09579	2.2
149.13290	11.2
151.09953	1.8
151.11179	6.6
155.43777	2.1
157.10196	3.4
159.11697	12.1
161.10960	2.1
161.13264	7.8
163.11195	53.1
163.14877	5.6
164.72501	1.9
173.13260	6.7
175.14827	2.2
177.12747	2.2
179.14348	3.0
181.12219	12.4
183.13782	4.1
185.13280	2.2
187.14856	5.8
189.16391	2.2
195.11871	2.1
195.13821	3.8
206.87285	1.9
209.11729	2.8
210.31558	2.0
215.12732	1.9
225.39093	1.9
227.12784	100.0
229.14420	2.2
243.21078	7.7
259.20309	2.1
261.22177	32.6
269.17572	2.5
275.20172	4.5
277.21677	2.9
283.15405	36.1
285.17050	2.7
291.19611	3.8
293.20938	4.8
299.23563	3.6
306.77979	1.9
315.22928	2.3
317.24799	11.4
335.25809	79.4
451.31775	2.5
469.32950	3.5
517.38696	6.1
525.35785	3.8
529.38873	4.5
543.36847	46.0
561.39783	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	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
55.01867	6.5
55.05515	18.3
57.03445	9.9
57.07077	3.6
65.03945	3.4
67.05509	54.0
69.07065	15.1
70.13741	4.2
70.14134	4.7
71.04993	4.3
79.05494	55.5
79.81657	1.7
80.05817	2.0
81.03394	4.1
81.07060	60.5
81.81823	1.8
83.04984	4.7
83.08613	12.7
85.06567	2.3
91.05490	31.9
93.06474	3.7
93.07050	65.6
95.04984	11.1
95.08614	64.6
95.09069	1.2
95.09232	1.8
97.02910	3.6
97.06541	5.8
97.10178	4.1
99.04437	3.0
103.05500	2.5
103.13698	1.7
104.59737	1.8
105.07029	20.8
107.04989	9.4
107.08597	45.3
109.06517	4.2
109.10149	17.7
111.08154	3.0
117.07061	11.7
119.08585	23.4
120.08951	2.0
121.06513	4.6
121.10154	25.0
123.08102	2.2
123.11710	6.0
125.05987	2.2
125.09610	2.5
129.06952	2.9
130.07785	2.9
131.08565	10.1
133.10124	12.2
135.08047	3.4
135.11694	55.3
137.13239	2.6
139.07445	1.8
143.08569	3.8
145.10129	33.9
147.11655	9.6
149.09613	2.3
149.13284	7.7
152.00482	1.9
157.10167	2.5
159.11708	6.6
161.13312	6.2
163.11185	51.0
163.14842	3.1
171.07648	1.7
171.11760	3.3
173.13258	5.9
175.35477	1.8
181.12257	9.5
193.12367	2.1
209.11707	2.2
227.12790	100.0
243.21100	6.5
247.06816	1.9
259.20505	2.2
261.22168	22.0
277.21698	2.0
283.15399	39.9
293.21213	2.2
317.24728	7.2
335.25824	52.9
346.96542	2.4
463.30682	1.9
469.33075	2.3
478.50714	1.8
543.36890	31.7
561.39783	38.7
562.92590	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	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
55.01881	7.4
55.05519	31.1
57.03437	14.7
57.07065	7.5
65.03949	3.1
65.17144	2.9
67.05509	100.0
69.03436	6.3
69.07069	31.4
69.78973	10.6
69.79369	4.8
71.04976	8.3
71.08652	3.7
79.05496	85.3
79.05959	4.8
79.23318	2.9
81.03403	6.8
81.07063	99.6
83.04987	10.9
83.08624	17.2
85.02856	3.2
85.06547	6.3
91.05483	52.8
91.94853	2.9
93.07048	95.8
95.04980	15.8
95.08607	83.0
97.02900	5.2
97.06532	11.6
97.10179	12.3
99.04468	2.9
105.07024	44.6
107.04968	12.6
107.08604	63.6
109.06528	5.3
109.10166	35.0
111.04462	7.4
111.08067	4.4
117.07034	21.4
119.08601	30.5
121.06497	6.5
121.10160	35.5
123.08105	4.0
123.11713	14.8
125.05993	3.4
125.09637	9.5
129.06985	6.8
131.08582	34.3
133.10141	30.0
135.08081	4.2
135.11700	52.8
139.01984	2.9
143.08571	9.1
145.10138	44.1
147.11717	14.0
149.09631	6.7
149.13257	10.0
151.11139	4.9
151.81345	2.9
155.08556	4.1
157.10103	9.0
159.11693	15.5
161.13283	4.7
163.11176	56.2
163.14806	4.8
171.11722	3.9
173.09705	3.3
173.13295	12.3
175.14848	3.9
181.12263	13.0
183.11646	3.9
187.14909	4.5
189.11235	4.0
191.10701	5.7
209.11693	6.9
223.14841	2.9
227.12793	87.3
243.21185	7.9
259.20679	4.5
261.22073	32.5
273.22180	3.8
277.21698	3.7
280.34180	3.1
283.15387	34.3
299.23898	2.9
301.21530	4.5
317.24655	14.1
327.67688	3.4
335.25787	67.2
381.83267	3.1
433.30908	3.3
441.33591	3.4
451.31989	6.3
469.32843	5.9
520.33777	3.2
525.35510	4.5
543.36877	62.9
561.37714	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
54.05716	2.1
55.01871	5.3
55.05513	28.1
57.03448	13.0
57.07082	7.0
65.03931	4.3
67.05511	93.0
69.07064	26.2
70.64780	7.1
71.04997	7.5
79.05500	76.3
81.03420	5.7
81.06582	4.6
81.07065	91.0
83.04984	8.2
83.08630	14.0
84.04511	37.6
85.02894	2.7
85.04860	5.2
91.04966	3.9
91.05491	44.6
93.07049	90.0
95.04972	15.4
95.08614	75.6
97.02902	3.2
97.06531	9.1
97.10172	10.0
99.04478	4.0
105.07043	38.5
107.04946	13.9
107.08604	59.4
108.80198	2.0
109.06519	4.9
109.10155	29.6
110.46756	2.0
111.04468	5.2
116.07101	6.0
117.07032	20.1
119.08590	27.9
121.06527	8.0
121.10163	33.8
121.35110	2.0
123.08090	6.7
123.11723	6.3
125.05994	5.0
125.09633	7.0
128.06471	2.2
129.07031	7.4
130.79698	2.0
131.08568	24.1
133.10159	18.6
135.08040	5.4
135.11697	52.1
137.09648	3.0
139.11174	2.1
143.08638	6.4
144.06566	51.5
145.06929	13.8
145.10141	33.8
147.08064	2.7
147.11687	8.9
149.09641	5.7
149.13271	7.8
153.12755	2.8
156.52319	2.4
157.10144	4.2
157.33211	2.1
159.11690	12.8
161.09592	2.6
161.13272	7.1
163.11206	56.1
163.14873	6.2
169.10057	3.4
171.11670	4.9
173.09645	8.1
173.13303	9.6
175.14838	4.2
180.29407	2.2
181.12289	9.4
185.13281	2.5
187.11189	2.4
187.14874	4.8
191.10561	2.7
194.17867	2.4
195.07649	4.3
195.94086	2.2
196.08064	3.1
197.13232	2.1
201.16397	2.6
209.11708	8.0
213.12804	2.6
227.12798	100.0
231.92847	2.5
236.82103	2.2
243.21080	5.8
259.20676	2.5
261.22110	27.3
264.51532	2.3
265.14313	3.0
274.05841	2.3
275.20032	3.0
277.21576	3.0
283.15408	42.7
289.21542	2.5
299.23691	4.3
317.24835	11.9
332.09073	2.8
333.09464	3.4
335.25784	66.0
350.10446	3.0
451.32227	4.3
469.33072	5.9
525.35583	4.0
543.29346	3.9
543.36865	57.0
561.38049	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	561.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	39.9
56.92906	13.9
61.87849	17.6
66.50232	13.7
67.05499	78.7
69.07061	36.4
71.08632	17.9
71.55889	23.0
79.05503	59.4
81.07070	71.7
83.08638	17.4
91.05486	51.3
93.07038	60.5
95.04961	14.2
95.08607	80.6
97.06532	13.6
98.07594	14.5
105.07052	31.7
107.04934	15.8
107.08592	53.6
109.10180	33.1
117.07062	19.4
119.08597	29.2
121.10101	24.7
128.10234	16.5
129.06985	13.7
130.42480	14.0
131.08560	27.3
133.10088	30.5
135.11736	25.5
138.48332	15.3
145.10110	20.2
145.75720	16.2
149.13304	15.7
150.55092	14.1
159.11755	22.8
219.54929	14.8
220.63518	14.2
227.12807	20.9
266.40924	14.2
270.09555	15.6
275.20114	27.0
330.24619	13.5
495.34671	14.3
518.73761	15.8
543.37030	28.9
561.24597	57.5
561.30865	28.7
561.38837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
54.66113	0.4
55.01879	1.1
55.05524	0.7
57.03421	0.5
61.02912	0.5
65.21199	0.5
65.88856	0.5
69.03436	2.3
69.55940	3.1
70.06598	9.7
71.05000	0.7
72.04517	0.7
72.08160	100.0
81.03418	2.5
83.68644	0.5
84.04540	1.6
84.08152	1.7
85.02903	3.8
87.00844	1.6
89.10798	36.9
92.72238	0.4
95.05011	0.8
97.02928	1.5
98.06069	1.1
99.04501	0.7
105.01900	0.5
107.04968	0.5
109.02905	2.0
112.07585	0.5
114.09168	5.0
116.07098	0.8
121.06552	0.6
126.09137	2.4
127.03941	1.9
129.14502	0.5
131.11853	0.6
135.04463	0.6
137.05991	3.1
140.04723	0.6
145.02745	0.6
147.04462	1.3
155.07057	1.0
159.02928	0.6
165.05534	1.0
167.07069	0.6
168.04239	1.2
183.06544	39.5
184.06898	0.5
193.04947	1.1
224.09256	1.8
225.07588	1.0
278.14093	1.2
295.16562	2.7
296.14941	8.4
307.31149	0.5
313.17578	27.9
315.28741	0.6
355.18826	1.0
403.18588	0.7
475.22760	2.3
517.24438	1.6
543.22186	2.2
561.23029	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01859	0.2
55.05495	0.3
57.07067	0.2
59.87820	0.2
63.71894	0.2
64.13229	0.2
67.05515	0.4
68.99781	0.5
69.03425	0.6
69.07056	0.3
70.04066	3.9
70.06582	0.5
71.04389	0.2
71.04984	0.3
72.08150	0.5
79.05484	0.6
81.03405	0.8
81.07053	0.6
85.02914	1.1
85.06550	0.2
87.00801	0.2
87.04471	0.4
89.03925	0.3
91.05462	0.3
93.07022	0.4
95.04982	0.3
95.08595	0.7
97.02881	0.9
97.06516	0.3
99.04418	0.2
99.08081	0.4
105.07066	0.3
107.04937	0.2
107.08586	0.4
109.02856	0.5
109.10127	0.5
110.63264	0.2
117.03313	0.2
119.08546	0.3
121.10136	0.3
127.03904	0.5
128.06204	0.2
128.07063	0.2
131.08536	0.3
133.10094	0.3
135.11734	0.2
137.05963	0.3
137.09589	0.2
139.03929	0.2
139.05403	0.4
144.05702	0.4
145.02766	0.4
145.04967	0.3
145.06459	0.3
145.10214	0.2
147.04388	0.5
147.11635	0.3
151.03902	0.2
151.07730	0.2
153.05463	0.6
155.04921	0.7
157.06519	0.2
159.02951	0.2
159.08051	0.3
159.11629	0.2
161.09636	0.2
162.03293	0.2
163.03903	0.6
165.71916	0.2
167.04947	1.4
167.07011	0.4
169.05005	0.2
170.03604	0.5
171.04422	0.4
171.08038	0.3
175.14886	0.2
177.05540	0.3
181.04929	0.2
181.06424	0.3
184.05177	0.7
186.06758	0.3
187.07610	0.3
195.04375	0.9
197.06035	0.2
199.03877	0.2
199.07535	0.4
212.04695	1.9
223.03928	0.8
225.05479	0.5
227.07025	1.3
235.47418	0.2
240.04184	5.8
242.05693	0.4
251.03178	0.2
253.04944	1.5
254.05740	0.4
255.06538	8.5
257.08051	1.5
268.03671	5.3
269.04437	0.2
270.05209	1.8
281.04089	0.2
283.06012	8.7
285.07675	0.3
298.04715	6.1
313.07050	100.0
314.07336	1.6
355.08273	0.4
399.10651	1.3
404.24625	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	560.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01863	0.8
55.05503	1.3
56.04374	0.3
57.03430	0.5
57.07079	22.7
61.02917	0.4
65.03925	0.5
67.05495	0.7
69.03429	2.0
70.06593	0.4
70.91006	0.6
70.91349	0.3
71.05004	0.3
72.08146	0.3
73.02919	0.6
73.06555	1.1
79.05470	0.7
81.03427	2.4
81.07056	0.5
85.02903	4.6
87.00830	1.3
91.07586	0.3
92.38946	0.3
95.04995	0.4
95.08613	0.4
97.02898	2.2
99.04469	1.0
105.01848	0.8
105.07026	0.6
107.08577	0.5
109.02881	1.5
121.02872	2.3
121.04031	0.4
127.03922	2.3
131.08566	0.3
145.04968	0.8
149.02350	100.0
150.02676	0.6
150.59636	0.3
159.02916	0.7
167.03424	1.2
190.05011	0.4
205.08611	14.8
221.08083	2.5
277.14377	14.7
295.15524	2.0
378.58481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.9
57.03427	4.7
57.07086	1.3
58.99584	1.9
60.04512	1.1
61.01173	1.9
61.02917	3.5
62.99076	2.0
67.05508	20.0
69.03432	5.5
69.07066	4.9
70.06600	12.6
71.05007	1.7
71.08648	1.3
71.55403	2.5
72.08151	4.9
72.39097	1.2
73.01132	1.2
73.02923	14.0
76.02242	1.1
77.00634	1.7
79.05493	7.6
81.03416	2.0
81.07072	5.3
82.06581	9.5
83.08624	4.1
84.08140	4.2
85.01128	1.9
85.02905	14.8
85.06524	1.8
86.06041	1.2
86.09686	4.5
86.99053	1.6
87.02699	2.0
87.04488	1.6
88.02221	2.0
88.03993	2.5
89.00628	4.0
91.03954	1.4
91.05482	2.8
93.07038	2.9
95.04994	1.7
95.08580	1.9
97.02903	9.3
97.10171	7.8
98.06043	1.8
99.02700	2.2
100.02229	1.8
100.07607	4.5
105.00120	1.4
105.07004	3.0
107.08601	11.1
108.04506	1.5
109.02864	2.0
109.10162	27.1
112.07611	1.7
113.09701	1.3
115.03939	3.0
119.04969	2.8
119.08619	2.1
120.01180	1.5
120.08105	3.0
122.02738	9.1
123.11717	1.1
127.03913	3.0
127.11197	5.0
128.07089	45.7
133.04961	2.2
133.10153	2.2
138.05472	1.2
141.07330	4.3
142.08714	1.2
145.04979	3.2
147.04420	6.7
152.05699	2.1
159.08400	36.7
163.03900	2.0
167.07043	1.4
173.13286	1.3
177.05458	2.1
177.09464	28.4
185.09938	1.7
191.14400	1.1
192.85352	1.1
218.05092	1.2
230.12114	3.5
231.10486	2.5
244.11919	1.6
248.13147	4.0
249.11594	46.4
266.14233	100.0
267.14548	1.2
282.10562	1.3
308.15295	3.0
332.13544	2.2
344.15240	4.6
350.14453	25.4
352.15012	1.5
362.16351	3.3
380.17218	2.9
391.68460	1.2
392.17307	1.7
398.18491	2.2
410.18607	3.2
428.19550	34.4
542.22437	1.4
560.23804	10.1
560.31726	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	560.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
55.01868	5.8
55.05505	10.0
57.03432	6.9
57.07063	9.4
57.78339	3.3
59.05000	10.7
63.63646	3.2
67.05509	31.0
67.46323	3.0
69.03432	24.2
69.07064	8.9
69.13804	3.0
70.06597	11.9
71.04989	7.0
71.55462	5.0
72.08147	5.2
73.02926	5.8
74.53940	3.0
79.05499	7.1
81.03417	23.0
81.07059	20.0
83.04994	6.0
83.08628	5.0
84.08142	3.9
85.02908	25.3
85.06547	89.3
86.09678	5.1
87.00845	11.3
87.04497	5.9
91.05493	10.3
93.07047	13.1
95.04971	9.8
95.08631	21.2
97.02901	20.5
97.06506	5.6
98.09740	3.3
99.04482	6.3
99.08099	86.6
105.01869	3.2
105.07054	18.2
107.08602	20.6
109.02895	14.5
109.10145	16.2
119.05013	3.4
119.08566	23.5
121.10159	27.4
123.08055	5.3
123.11763	6.6
125.09670	7.8
127.03940	26.5
131.08563	11.1
133.10147	18.8
135.11713	10.6
137.09624	5.2
139.11176	3.4
145.04997	6.7
145.10173	13.9
147.08072	3.2
147.11708	25.7
149.02371	8.4
149.09590	4.6
149.13260	4.4
150.02670	4.6
151.11217	4.5
153.05540	5.1
157.10114	7.2
159.11713	11.9
161.13316	4.4
163.04002	3.7
163.11232	5.4
165.12762	12.1
168.55344	3.8
171.11797	4.2
173.13298	3.9
175.14833	8.8
179.14375	4.7
184.57912	3.3
185.13295	5.6
187.07494	3.7
199.14958	7.2
201.16371	9.7
203.14285	4.2
204.10220	3.4
219.17468	10.1
231.04993	4.3
241.19583	7.0
259.20609	100.0
277.21667	11.9
467.97540	3.1
525.26965	52.6
542.32983	3.7
560.34882	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	560.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67309	0.2
53.03948	2.2
55.01870	3.0
55.05507	0.5
57.03440	2.3
59.72638	0.3
61.02925	2.1
65.57789	0.2
67.02868	0.2
67.05501	0.4
68.99798	1.1
69.03437	8.2
69.07076	0.7
70.04082	100.0
71.01367	0.3
71.04996	1.4
71.35537	0.4
72.08154	0.4
73.02914	2.4
79.05504	0.3
81.03423	8.4
81.07046	0.4
82.06582	0.3
83.01348	0.5
85.02911	22.5
85.06571	0.4
87.00302	0.5
87.00835	8.3
87.04488	0.3
87.08192	0.3
91.03954	0.7
95.08599	0.3
97.02898	12.5
97.06520	2.0
99.04464	4.1
99.08105	1.0
103.03962	0.8
105.01871	8.6
105.02570	0.5
107.08572	0.2
109.02887	8.4
111.04478	0.3
115.03939	0.4
115.07585	2.4
117.01882	1.2
125.02383	0.6
127.03921	18.7
129.01849	0.9
145.04970	12.7
147.02927	0.8
148.51755	0.3
157.08679	0.3
159.02895	6.6
163.03944	0.4
175.95911	0.3
177.03967	0.5
189.03932	1.3
193.08620	0.4
199.09737	0.4
203.82600	0.3
213.04010	0.9
223.09642	1.3
231.05025	4.3
241.10812	0.5
249.06178	0.8
302.21500	0.3
315.10922	0.3
318.09360	3.4
462.40961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.1
55.05513	28.5
55.51860	4.2
57.03422	11.8
59.12064	4.1
62.70483	3.6
65.03954	10.1
67.05505	100.0
69.07069	22.5
71.04987	4.1
71.56434	4.0
79.05498	91.8
81.03386	5.4
81.07066	93.1
83.04977	17.4
83.08620	15.8
91.05489	70.5
93.07048	91.5
95.04998	19.3
95.08615	55.6
97.06515	4.6
97.10172	6.1
98.88228	4.2
105.07040	50.4
107.04972	10.1
107.08587	28.3
109.06476	7.7
109.10135	16.6
117.06998	14.5
119.08599	34.1
121.10142	22.3
123.08048	9.6
123.11671	5.7
129.07007	18.6
131.08572	20.7
133.10123	19.1
135.11696	12.1
143.08537	10.5
145.10123	18.4
147.11705	34.4
149.13249	6.7
153.90654	4.0
159.11720	8.5
161.09583	6.2
161.13280	12.8
171.11610	25.6
173.13235	11.4
189.12753	8.1
201.16368	4.7
207.13771	28.3
257.98471	3.6
261.22165	14.1
268.16931	4.5
272.70532	4.4
279.15930	7.9
281.17480	48.8
335.25806	38.8
375.66483	4.6
381.06024	4.5
519.19159	4.5
541.38843	63.9
559.39905	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.01871	2.4
55.05504	0.4
57.03434	1.3
57.07080	1.3
58.46355	0.3
61.02928	1.4
66.30954	0.3
67.05542	0.4
68.99796	0.8
69.03437	6.4
69.07069	1.2
70.04082	100.0
70.06599	1.6
70.28358	1.2
71.05005	1.3
72.08170	0.7
73.02927	1.5
76.87312	0.3
79.05518	0.4
81.03425	7.4
81.07080	0.6
81.09181	0.3
84.08147	0.4
85.02911	20.6
86.09750	0.4
87.00838	7.5
87.04482	0.6
91.03944	0.5
91.05499	0.4
93.07059	0.6
95.05003	0.6
95.08599	0.4
97.02903	8.4
97.06531	0.6
99.04462	3.7
99.08098	8.6
105.01874	9.3
105.07087	0.3
107.08612	0.7
109.02889	7.9
115.03941	0.3
116.07140	0.4
117.01910	1.0
119.08621	0.5
120.61700	0.3
121.10168	0.3
127.03925	15.5
128.07167	0.3
129.01869	0.6
133.10173	0.4
135.11807	0.3
137.17148	0.3
137.70152	0.3
145.04985	7.3
147.02989	0.7
147.04439	0.6
157.00591	0.4
157.10159	0.4
159.02919	4.4
173.13420	0.3
189.03996	0.4
213.04005	0.9
225.06877	0.9
231.05006	4.4
243.07840	7.6
259.09579	0.3
313.07126	0.9
399.10565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
54.83383	0.3
55.01883	1.5
55.05508	0.5
57.03442	1.2
57.07077	2.8
61.02935	1.0
68.99817	0.4
69.03434	5.6
69.07085	1.0
70.04082	100.0
70.06590	1.0
71.04998	1.2
71.55464	0.3
72.05548	0.3
72.08173	0.5
73.02926	1.4
79.05515	0.5
81.03427	5.1
81.07076	0.7
82.06584	0.3
83.05019	0.4
84.08157	0.4
85.02911	15.1
87.00840	5.7
87.04492	0.5
89.06039	0.3
91.03980	0.6
91.05496	0.7
95.08585	0.6
97.02907	5.2
97.06541	0.5
99.04467	2.5
99.08102	8.2
104.21083	0.3
105.01878	5.6
107.08572	0.5
109.02887	6.2
117.01889	0.9
119.08528	0.3
121.10161	0.3
127.03929	12.0
128.07114	0.5
129.01851	0.7
145.00562	0.6
145.04962	4.4
145.06039	0.4
147.02928	0.5
147.04443	0.3
155.08466	0.3
157.00598	0.5
157.10208	0.3
159.02887	2.8
177.04065	0.4
177.05455	0.7
211.01634	0.6
213.03815	0.5
225.06822	1.3
231.05013	2.7
239.08565	0.4
243.07863	6.0
267.07974	1.3
285.08783	1.7
309.09027	0.9
351.09973	1.2
560.29492	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32833	2.0
53.03957	13.5
55.01868	5.2
55.05514	33.9
57.03438	16.6
57.07084	10.7
59.05000	2.5
65.03947	3.9
67.05505	97.0
67.72318	2.3
69.07072	26.7
70.16298	10.4
71.04990	5.4
71.08626	5.6
77.60586	2.2
79.05492	100.0
81.03426	7.9
81.06579	4.6
81.07059	91.6
83.04984	13.7
83.08626	14.1
85.06537	4.0
85.10189	6.0
87.04465	4.6
89.06029	9.8
91.04902	2.8
91.05482	78.2
93.07046	82.5
95.04970	20.8
95.08606	54.7
97.06546	8.1
97.10176	8.2
98.21532	2.6
99.08083	3.0
100.14372	2.1
105.04522	2.8
105.07037	55.4
107.04957	7.5
107.08600	37.0
109.06531	7.8
109.10149	27.6
117.07025	18.2
119.08593	30.8
119.49022	2.1
121.06540	3.1
121.10135	23.7
123.08095	7.1
123.11693	3.8
125.09660	4.7
128.06213	3.7
129.07042	16.4
131.08553	22.5
133.06552	3.4
133.08618	5.2
133.10146	20.9
135.08081	3.8
135.11716	18.4
137.09634	4.0
142.07866	2.1
143.08566	16.4
145.06511	3.7
145.10141	23.9
147.08015	2.9
147.11703	42.1
149.09622	2.6
149.13289	8.5
157.10167	5.0
159.11723	9.7
161.09660	4.1
161.13269	16.2
163.11182	3.3
163.14853	2.7
169.10146	4.0
171.11682	28.2
173.13298	8.5
175.11159	3.3
177.12735	3.7
179.14214	2.9
185.13370	3.1
187.14825	3.6
189.12737	10.1
197.13251	3.7
199.14806	3.3
207.13756	19.2
211.14897	3.3
213.16316	2.3
243.21182	5.0
261.22256	14.9
262.76816	2.5
275.20255	3.5
279.15936	6.3
281.17499	50.4
281.20340	4.6
301.49872	2.4
317.24829	3.0
335.25793	41.3
449.34091	3.9
485.35886	2.4
541.38989	58.6
542.39673	3.9
559.40411	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	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.7
53.03949	9.4
55.01881	4.0
55.05268	2.2
55.05513	30.6
57.03445	12.7
57.07071	3.6
59.05001	2.3
59.10215	1.8
65.03932	5.6
67.05509	100.0
69.07068	27.1
70.73664	4.3
70.74036	4.4
71.04978	5.1
71.08639	2.3
73.06553	3.0
76.28362	1.9
79.05498	90.4
81.03423	10.1
81.07063	88.3
82.07386	2.0
83.04980	12.8
83.08604	10.3
85.06543	3.7
88.46714	1.7
91.04911	2.1
91.05486	62.5
93.07053	91.2
95.04977	22.1
95.08614	60.6
95.09116	1.5
97.06530	6.4
97.10181	5.3
97.43295	2.0
99.08080	3.5
101.65347	2.0
105.04535	3.9
105.07034	49.4
107.04951	6.1
107.07964	3.1
107.08609	36.6
109.06516	6.5
109.09561	2.1
109.10170	23.1
111.08061	3.8
115.05488	2.7
117.07022	16.1
119.08575	33.4
121.06485	3.6
121.10163	23.5
123.08062	5.4
123.11720	6.9
128.06247	3.7
129.07008	19.5
131.08589	18.6
133.10158	21.1
135.11691	15.0
143.08542	9.9
145.10159	15.8
147.07986	2.2
147.11711	38.2
149.09557	2.2
149.13245	7.2
155.08606	3.3
157.10127	5.0
159.11728	6.5
161.09651	3.7
161.13293	14.0
169.10114	3.8
171.11702	23.6
173.13263	6.6
175.14877	2.5
179.14297	2.4
185.13322	3.9
187.14789	3.8
189.12764	8.6
189.16454	2.3
207.13826	24.9
211.14719	2.2
213.16402	2.8
225.14891	2.3
243.21281	2.2
256.26416	3.8
261.22083	12.3
279.16019	5.0
281.14212	3.3
281.17502	44.4
297.16772	2.3
317.24765	3.1
335.25854	51.2
389.95642	2.6
449.33920	3.6
506.92883	2.1
541.38965	73.7
542.38812	2.9
559.31824	3.6
559.39630	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	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
54.17034	1.9
55.01862	7.1
55.05513	23.4
57.03436	10.8
57.07082	2.4
63.77100	2.2
65.03945	5.1
67.05172	3.8
67.05511	57.8
69.03427	3.0
69.07066	15.6
69.83062	4.3
69.83475	8.0
71.04987	6.4
72.08157	2.7
73.02938	2.9
79.05500	67.8
81.03428	12.6
81.07064	52.2
83.04977	7.7
83.08618	15.3
85.06541	3.6
91.05488	53.5
93.07053	79.8
95.04980	15.2
95.08614	59.8
97.02880	4.4
97.06542	8.0
97.10173	6.9
98.98441	2.4
99.04453	3.0
99.08092	2.7
103.05485	2.3
105.07039	61.6
105.07760	3.2
107.04942	13.5
107.08602	54.7
109.06535	6.1
109.10167	15.8
111.08060	4.0
117.07015	22.1
119.08588	61.8
121.06509	7.5
121.10150	29.9
121.51496	2.0
123.08000	3.6
123.11745	3.0
125.06004	3.6
125.09666	4.2
126.54172	2.1
128.06276	2.5
129.06996	9.7
130.07814	4.0
131.08565	23.8
133.10143	35.3
135.07996	5.1
135.11702	56.3
137.09634	3.3
142.07756	3.0
143.08594	14.4
145.10133	50.4
147.08061	2.2
147.11697	36.2
149.09605	8.0
149.13261	10.2
155.08516	3.0
157.10080	13.3
159.11685	18.4
161.09666	4.0
161.13260	32.5
163.11195	50.7
163.14767	3.3
169.10104	3.7
171.11729	15.7
173.13258	13.1
175.11238	3.0
175.14810	16.0
180.93709	2.4
181.12221	13.4
183.11635	2.6
185.13239	9.8
189.12697	3.9
191.58582	2.4
199.14717	5.7
209.11674	2.8
226.91602	2.3
227.12796	100.0
231.21135	8.7
241.19524	35.1
243.21048	3.9
259.20590	74.3
267.15842	8.3
275.19998	10.3
277.21603	3.1
283.15460	43.3
291.19568	3.7
308.93680	2.2
315.23248	7.3
333.20364	4.9
333.24219	63.4
349.23755	3.5
431.29797	2.2
449.30112	2.5
467.31207	3.3
503.05670	2.1
541.35315	28.7
559.36194	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	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51806	2.7
53.00302	3.0
53.03935	8.8
55.01865	6.8
55.05513	47.2
57.03433	8.4
57.07072	9.3
64.08912	2.4
65.03927	6.2
67.05505	71.0
68.12534	2.5
69.03441	3.7
69.07072	27.8
71.08633	4.4
76.59579	2.9
79.05492	63.5
81.03422	6.7
81.07059	67.3
83.04994	8.3
83.08617	25.6
85.06538	5.2
91.05479	50.4
93.07044	50.9
95.04951	15.5
95.08612	34.7
97.02888	2.6
97.06550	7.2
97.10175	26.4
99.00836	8.4
105.07029	37.4
107.04958	10.0
107.08606	47.9
109.02905	9.9
109.06523	11.3
109.10165	19.5
111.04504	3.2
111.08105	7.8
113.06025	5.1
117.07011	23.9
119.08590	30.1
121.06527	6.3
121.10142	23.3
123.08098	4.4
123.11728	7.9
123.14141	2.8
125.09628	20.0
127.03890	2.8
128.06154	3.5
129.07019	11.0
131.08572	29.1
132.02402	2.5
133.06514	4.0
133.10141	45.0
133.11076	3.7
135.08072	7.7
135.11703	20.8
141.07004	4.0
143.08545	17.2
145.06502	3.5
145.10126	20.5
147.08109	3.8
147.11687	12.8
149.09688	5.2
149.13303	9.6
151.11218	7.4
155.08586	4.1
157.10139	14.0
159.08006	2.9
159.11697	15.5
161.09647	10.6
161.13286	8.0
163.11227	6.7
163.14835	3.6
169.10184	8.3
171.08075	3.8
171.11636	12.7
173.09592	4.9
173.13306	8.8
175.11281	3.5
175.14830	3.9
179.10728	5.8
183.11673	5.7
185.13304	7.3
187.14893	6.0
189.09250	4.1
189.11273	9.2
189.12819	4.6
195.11804	2.9
197.13365	4.1
199.11281	5.0
199.13155	3.0
199.14928	6.0
209.13329	5.9
211.14908	4.8
225.11232	6.5
227.12807	9.6
259.20804	5.6
261.22223	9.6
273.18576	4.5
277.21671	6.8
281.13889	10.1
287.23843	7.6
291.19577	13.1
297.22107	3.8
299.19873	3.4
313.21722	6.0
315.23224	25.3
403.30035	4.0
421.31168	8.6
431.29422	4.7
432.38696	4.6
439.32361	7.4
449.15851	3.0
449.30756	7.7
457.33524	6.0
467.31516	27.9
485.32382	21.4
488.20096	2.7
513.35907	17.6
523.34637	4.2
531.36407	13.1
541.35358	58.8
559.36365	100.0
559.44415	6.8
560.36182	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	559.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83633	2.7
51.28106	3.6
53.03941	8.7
55.01868	7.3
55.05510	29.2
57.03438	4.8
57.07066	12.6
65.03942	3.9
67.05506	41.2
68.99803	4.1
69.00189	2.6
69.03431	34.3
69.07073	50.4
69.91917	14.5
70.06587	10.3
71.04973	5.1
71.08625	6.5
72.08162	5.1
73.02908	6.3
77.96302	3.0
79.05488	29.9
81.03432	26.9
81.07061	100.0
81.45341	2.9
81.87202	3.2
83.04971	4.4
83.08630	29.3
85.02914	48.9
85.06560	17.4
87.00835	21.3
91.05498	18.5
93.07046	32.6
95.04973	13.9
95.08607	91.3
97.02900	19.8
97.06510	10.0
97.10170	20.4
99.04467	7.6
99.08095	17.7
105.01875	21.0
105.03315	3.1
105.07038	11.4
107.04980	3.5
107.08595	25.0
109.02878	14.6
109.06504	4.6
109.09465	5.0
109.10160	55.0
111.04456	3.5
111.08080	8.7
111.11739	19.4
115.05325	4.0
117.07028	5.1
119.08590	19.2
121.06526	4.5
121.10147	17.5
123.04430	4.0
123.11717	30.5
125.09592	4.4
125.13254	5.0
127.03907	30.0
129.07062	3.3
131.08537	8.8
133.10149	11.7
135.07996	4.1
135.11665	20.4
137.05984	5.3
137.09642	4.4
137.13255	12.7
143.08536	4.4
145.04938	9.3
145.10153	8.4
147.08047	5.6
147.11725	5.6
149.09595	6.3
149.13229	21.2
151.06453	3.1
151.14824	11.6
155.08549	4.4
157.10126	5.7
159.11760	5.4
161.09624	8.5
163.03860	3.6
163.14832	8.8
165.09207	3.6
165.16499	6.3
171.11659	3.0
175.11174	3.3
177.16350	5.6
179.17979	4.3
231.04956	6.6
233.22552	3.3
260.07965	2.9
275.27274	10.8
287.70367	3.0
287.85147	3.2
293.28378	33.9
294.21698	3.0
295.40613	3.6
311.29498	16.3
363.21799	4.4
383.29678	6.5
401.30273	3.7
408.39273	3.5
443.08298	3.6
454.95389	3.4
479.33344	3.9
505.31555	4.6
531.60419	3.6
559.34460	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	559.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.01865	8.1
55.05507	24.5
57.03416	10.4
57.07078	18.8
61.02917	7.2
65.03909	3.7
67.05505	56.0
69.03417	21.0
69.07076	43.6
70.06583	6.7
71.04975	8.1
71.08611	8.4
71.14941	6.1
72.08144	8.1
73.02896	3.5
79.05487	37.6
81.03421	18.6
81.07059	100.0
82.38642	3.8
83.04952	5.4
83.08623	31.3
85.02906	45.6
85.06541	22.4
85.62732	3.8
87.00841	19.0
91.05476	18.8
93.07046	47.8
95.04960	10.0
95.08047	6.2
95.08611	76.5
97.02917	24.6
97.06506	13.3
97.10161	23.3
99.04420	6.6
99.08116	18.9
105.01860	15.8
105.07035	24.8
107.04928	4.9
107.08611	34.7
109.02866	11.4
109.06488	7.0
109.10156	51.1
111.04411	5.0
111.08072	13.5
111.11782	8.6
112.07574	5.8
115.05482	3.9
117.06993	5.1
119.08561	15.7
121.06496	6.0
121.10155	30.1
123.11711	35.1
125.09615	5.2
127.03917	31.3
131.08569	9.9
133.10129	12.3
135.08096	5.3
135.11691	22.4
137.13225	8.2
140.04617	3.7
143.08606	6.7
145.04938	6.1
145.10139	12.0
147.11705	10.7
149.02357	10.9
149.09612	4.8
149.13274	23.5
151.14781	4.9
153.05519	5.5
153.12737	4.3
157.10170	5.3
159.02936	6.1
159.11638	7.7
161.13280	3.8
163.11137	5.2
163.14806	9.4
171.11916	3.2
179.18065	7.3
187.14880	4.0
224.23756	4.0
275.27420	18.2
293.28397	36.3
311.29468	9.1
401.30582	5.1
505.31506	4.4
557.89020	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	558.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
55.05510	1.0
55.56503	0.3
56.05664	0.3
57.07065	0.4
66.32708	0.3
67.04251	0.7
67.05503	1.2
69.03424	1.1
69.07060	0.9
70.06587	1.4
71.04984	0.3
71.19666	0.6
71.19995	0.5
72.08160	0.3
79.05505	1.5
80.05003	0.4
81.07056	2.4
82.06592	15.4
83.04988	1.1
83.08615	1.2
84.08127	0.9
85.06544	0.6
86.09703	0.4
87.04494	0.5
89.35345	0.3
91.05477	1.7
93.07020	1.7
95.04974	1.4
95.08611	1.0
97.06520	0.5
100.07632	4.5
105.07057	2.1
107.08595	4.5
108.04433	0.3
109.06536	2.5
109.10165	3.7
111.08109	0.4
111.91616	0.3
114.05537	0.4
119.08582	0.9
121.10149	2.6
123.08070	1.0
123.11728	1.2
125.09652	0.5
128.07092	100.0
131.08562	1.6
133.10146	3.3
135.08081	1.8
135.11682	0.4
142.08644	1.2
144.22040	0.3
145.10150	0.6
147.11688	0.9
149.09601	0.4
149.13280	1.1
151.11174	1.1
153.09100	0.8
158.10938	1.0
165.12759	0.9
167.14378	0.9
168.06575	0.7
173.13287	3.8
186.07603	0.4
188.09207	3.1
191.14349	3.0
209.15421	2.9
230.10202	0.6
286.12744	0.6
296.11356	0.9
304.13940	0.8
314.12326	3.0
332.09351	0.6
332.13431	17.4
350.14493	26.1
351.14688	0.5
540.28058	0.8
558.29156	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	559.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01879	7.1
55.05516	24.0
57.03430	7.1
57.07092	12.0
61.02934	2.7
65.03955	2.1
66.53680	2.4
67.05511	40.5
68.99785	3.1
69.03436	34.6
69.06724	3.9
69.07073	60.4
69.97711	10.4
70.06589	7.9
71.05002	6.6
71.08611	5.6
72.08169	3.8
72.73296	2.2
73.02909	4.3
79.05499	20.9
81.03423	25.8
81.07062	100.0
83.04995	5.0
83.08618	26.8
85.02912	47.4
85.06550	17.7
85.10190	2.6
87.00839	22.1
91.05502	16.8
93.07046	32.6
95.04974	11.4
95.08614	92.0
96.08985	2.3
97.02892	29.1
97.06540	8.5
97.10180	18.8
99.04458	9.4
99.08105	17.6
103.03972	2.3
105.01881	17.0
105.07051	13.6
107.04966	3.6
107.08615	31.0
109.02881	16.7
109.06551	4.9
109.10163	56.0
111.04433	4.1
111.08069	10.7
111.11729	11.2
113.09701	2.8
115.03936	2.4
115.05461	3.6
117.07044	4.9
119.08596	16.7
121.06491	3.0
121.10141	21.1
122.33553	2.2
123.04465	2.8
123.08058	3.1
123.11715	31.9
125.06009	2.7
125.09622	5.1
125.13277	3.0
127.03926	29.3
129.07004	3.4
131.08580	7.7
133.06569	2.5
133.10144	11.0
135.08061	3.4
135.11710	12.4
137.05991	2.6
137.09593	2.8
137.13254	9.6
143.08527	5.3
145.04962	8.2
145.10138	7.6
147.04324	3.1
147.08104	2.9
147.11711	7.7
149.09677	3.1
149.13260	19.8
151.14841	12.0
157.10208	5.6
159.02942	3.4
159.11659	4.6
161.09595	5.0
161.13228	4.6
163.14838	9.7
165.16428	4.1
173.09669	3.4
175.11118	3.6
179.17944	4.7
189.12695	2.4
191.10588	2.4
219.21092	4.2
231.04997	4.7
275.20056	2.9
275.27386	9.5
276.20560	3.0
293.21170	3.7
293.28381	30.7
300.82687	2.7
311.29526	18.2
328.11044	2.4
363.21979	4.1
383.29547	6.4
401.30737	7.1
505.31229	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	557.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47598	1.0
54.55239	1.0
54.57731	1.0
55.05524	1.4
57.07064	2.0
59.06129	53.5
60.04527	9.7
67.05499	4.7
69.07063	4.3
70.06599	1.3
71.08591	1.4
71.55973	1.0
71.56365	1.7
79.05492	3.2
81.07057	5.4
83.08607	2.1
89.06007	2.7
91.05475	3.1
93.07024	3.8
95.08603	7.1
97.10170	1.5
101.07146	100.0
105.07027	3.8
107.08599	3.7
109.10149	3.9
119.08595	3.6
121.10130	2.7
123.11685	1.5
133.08603	1.7
133.10136	2.8
135.11708	1.7
144.72464	1.1
145.10118	2.6
157.10210	1.5
159.11703	2.0
171.11748	1.7
177.90358	1.2
187.14731	1.8
229.19478	1.3
279.04825	1.2
283.26367	2.8
284.26712	2.2
288.19244	1.4
319.69427	1.2
505.75113	1.2
557.53326	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01879	0.6
55.05514	0.6
61.02929	7.9
64.63199	0.5
65.03952	1.0
67.05504	1.2
69.03423	1.6
69.07078	0.5
70.06245	0.4
70.06596	11.6
70.06991	0.5
71.04951	0.5
71.54709	0.9
72.08167	4.0
75.04476	0.9
78.04720	1.8
79.05495	1.8
81.07072	1.0
82.02077	0.5
82.06593	1.4
83.04980	0.9
84.04490	0.9
84.08147	3.9
85.02921	2.1
86.09711	1.4
87.04506	0.6
91.05486	3.7
93.03411	2.4
93.07064	2.1
95.04985	3.0
95.08626	0.6
97.02901	1.6
97.06545	1.0
100.07631	1.2
103.05473	1.5
105.07018	1.0
106.04194	4.1
107.04978	3.4
109.02886	0.9
109.06512	1.3
110.07195	1.8
111.04433	0.6
112.07607	1.0
116.07104	0.8
119.04924	1.4
121.06509	4.8
122.03712	0.5
122.06018	0.5
122.07287	0.6
123.04433	5.5
124.05221	2.1
125.05987	1.7
126.05623	0.5
127.03927	1.5
128.07074	3.9
131.04903	0.6
135.04414	1.1
136.07579	1.0
137.06013	1.2
139.07545	2.4
140.79462	0.5
145.02815	1.1
147.04440	4.2
147.11656	0.6
149.05998	7.7
150.07759	1.4
151.03937	1.1
151.07532	0.9
152.04700	2.0
153.05412	0.7
153.09106	2.4
163.03925	1.7
165.05510	0.8
166.08627	0.7
167.07051	100.0
168.07336	0.9
177.05493	7.6
181.08600	4.9
191.07092	1.0
195.06557	1.3
209.08098	27.7
223.04242	4.7
227.09164	22.7
264.12222	0.7
271.60153	0.5
312.08920	0.7
344.18207	0.6
350.14398	0.6
412.81732	0.6
558.20081	0.9
558.33289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.4
57.03435	3.2
57.07079	100.0
58.04221	7.2
59.05006	24.6
67.05495	6.5
69.07061	6.2
69.21905	12.6
69.22301	2.4
69.22586	1.5
71.04991	1.8
71.08635	70.5
72.05779	11.4
73.02907	4.7
73.06569	11.5
75.04490	1.5
77.35240	1.4
81.07053	6.2
82.07847	3.0
83.08631	4.4
85.10186	62.8
86.07315	1.7
87.04486	14.6
87.08122	2.0
88.05234	2.7
88.07630	1.6
89.06031	18.0
90.01921	33.5
91.05489	1.8
93.07047	2.7
95.08601	5.8
97.10167	4.9
98.21141	7.6
99.11741	9.6
103.07601	10.2
105.07055	2.7
107.08584	2.7
109.10175	1.9
111.11735	2.0
111.33275	1.5
113.13278	3.7
113.88628	1.7
116.08353	3.5
117.09151	7.2
119.08575	3.3
121.08629	1.6
121.10124	1.8
131.07066	2.0
133.08650	9.1
145.10056	1.5
147.10138	2.8
152.15605	6.8
155.17981	6.9
161.11702	3.0
165.11230	2.2
171.36703	1.8
173.13741	1.3
177.11235	3.4
178.07091	5.8
183.17450	4.6
212.21364	4.0
213.22156	5.2
215.19907	1.4
222.09708	6.2
222.16992	1.7
223.15393	2.6
241.15100	2.2
253.16512	3.3
257.24734	4.4
283.26654	1.5
328.15955	8.7
406.35403	9.3
422.35065	1.9
557.40210	3.9
557.53320	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01870	6.9
55.05305	2.1
55.05518	23.3
57.03419	6.8
57.07074	3.0
67.05508	45.9
69.07070	19.4
71.04979	5.6
71.55561	2.2
78.71809	2.1
79.05063	3.1
79.05495	42.3
81.03410	6.5
81.06586	3.1
81.07062	55.6
83.04971	7.4
83.08633	12.4
85.06536	3.9
85.10217	2.0
91.05485	47.4
93.07051	41.2
95.04964	7.9
95.08052	2.8
95.08611	34.1
97.06517	7.4
97.10167	8.6
99.08083	2.8
103.05499	2.4
105.06390	3.5
105.07034	40.8
107.04951	9.0
107.08600	24.9
108.26066	1.9
109.06538	6.0
109.10164	15.1
111.08060	3.2
117.07021	22.0
119.08575	34.0
121.06559	4.1
121.10161	16.4
123.08102	4.8
123.11679	2.2
125.09620	5.2
128.06244	4.5
129.07033	17.5
131.08585	31.3
133.06448	3.9
133.10146	23.9
135.08018	3.3
135.11711	12.5
137.13260	2.2
141.07002	7.3
142.07780	5.1
143.08557	25.9
145.06465	2.5
145.10126	37.0
147.11707	17.9
149.09587	5.7
149.13251	4.9
154.07825	2.6
155.08554	19.0
156.09314	3.6
157.10133	22.7
159.08067	2.7
159.11719	22.2
161.09631	3.4
161.13277	13.4
163.11224	12.4
163.14865	2.2
167.08598	8.0
169.10143	20.2
171.08130	2.1
171.11679	21.6
173.13243	13.4
175.14839	4.4
179.08568	4.1
179.14226	3.3
179.61603	2.5
181.10150	11.0
181.12158	2.0
182.10907	3.2
183.11694	17.4
185.09691	2.6
185.13243	14.2
187.11250	3.7
187.14873	7.4
189.12700	2.9
189.16492	2.3
193.10075	4.6
195.11726	11.0
197.13271	12.1
199.14839	10.4
201.16365	3.8
207.11794	3.6
207.13841	6.2
209.13336	6.9
211.14850	8.1
213.12868	2.4
213.16391	7.1
221.13309	2.6
223.14879	5.0
225.16406	3.4
227.12808	11.1
228.49695	2.0
235.14850	3.1
237.16478	3.9
241.19577	5.7
257.18915	4.0
259.20514	11.3
271.16586	2.4
275.20114	11.1
277.57675	2.0
279.15997	3.8
281.17584	8.4
299.23889	2.8
313.21484	3.3
313.25092	2.1
325.21768	2.9
333.24155	3.6
335.23831	2.8
339.23407	2.5
349.84634	2.1
353.24533	2.8
379.26105	2.5
419.32846	5.4
429.31329	5.1
437.34113	11.7
447.32629	30.5
455.35269	3.7
465.33749	22.2
483.34906	20.7
501.35834	2.5
519.56830	2.4
521.35956	9.4
527.37518	3.3
529.38965	6.0
539.37372	100.0
540.37646	2.6
557.38617	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
54.09229	1.2
55.01867	3.1
55.05513	20.9
55.70877	1.3
57.03433	8.6
57.07064	5.3
65.03929	3.8
67.05508	47.3
69.07065	19.6
69.33418	8.4
69.33834	2.9
71.04985	4.1
71.08628	1.6
79.05498	39.5
79.05955	2.0
81.03398	4.6
81.07060	46.6
83.04980	4.8
83.08624	10.2
85.06551	2.7
85.69886	1.3
91.05486	41.5
93.07053	41.9
95.04948	8.1
95.08611	32.2
97.06542	4.2
97.10159	4.9
98.98471	2.1
105.04531	1.2
105.07033	35.3
106.08518	1.2
107.04966	3.3
107.08601	21.6
109.06509	3.9
109.10167	9.9
111.08092	1.8
111.85593	1.4
114.16834	1.2
115.05466	2.4
116.85345	1.4
117.07027	22.0
119.08586	32.0
121.06535	2.6
121.10149	11.7
123.08076	3.5
123.11745	3.1
125.09636	2.9
128.06242	5.0
129.07004	21.4
130.07750	2.2
131.08574	32.0
131.72511	1.4
133.06512	1.7
133.10132	18.9
135.08038	1.7
135.11716	9.1
137.09619	2.6
141.06981	7.7
142.07742	3.7
143.08571	25.2
144.09467	1.5
145.06503	2.9
145.10124	28.1
145.11145	2.4
147.08038	2.6
147.11685	20.2
149.09665	2.0
149.13232	3.4
151.11230	1.8
153.07039	2.1
155.08562	21.0
156.09410	3.1
157.10120	21.1
159.08112	2.1
159.11708	17.6
161.09631	3.3
161.13245	12.5
163.11250	2.7
163.14833	1.7
167.08536	8.6
168.09436	3.0
169.10124	24.1
171.08194	1.8
171.11700	25.2
173.09654	2.1
173.13245	13.3
175.11267	1.9
175.14909	4.2
177.12756	3.7
179.08598	2.6
179.14258	1.4
180.09412	1.8
181.10130	16.5
182.10857	1.8
183.11694	16.1
185.09639	2.1
185.13258	15.0
187.11237	1.9
187.14784	6.2
189.12752	2.7
193.10172	3.9
194.10982	1.5
195.11699	14.2
197.09642	1.6
197.13274	15.6
199.14862	10.2
201.16452	1.5
207.11703	3.4
207.13797	5.3
209.13255	8.5
211.14807	7.8
213.16412	11.3
219.11661	2.8
221.13324	4.7
223.14909	7.8
225.16464	6.1
233.13316	2.1
235.14861	2.7
237.16479	4.7
241.19556	9.8
247.16937	2.7
249.16449	2.3
249.18654	1.8
251.18065	2.3
257.19055	2.2
259.20581	14.9
261.22290	2.0
277.19043	1.7
279.15955	5.3
281.17264	9.5
283.20663	1.9
285.22299	1.6
287.20145	1.7
297.22144	3.2
309.22208	2.7
313.21893	1.7
313.27603	2.0
321.22098	2.2
323.23923	2.9
333.24243	4.6
335.23773	1.6
339.23059	2.6
341.24319	1.8
349.25336	1.5
353.24887	3.1
355.26541	2.2
365.24686	1.6
367.26572	1.8
419.33203	5.4
429.31525	4.2
437.34280	12.6
447.32608	30.1
465.33716	31.3
483.34653	20.5
493.36707	1.5
501.35733	1.7
503.35416	3.7
511.37711	2.0
521.36316	8.6
527.37524	2.9
529.38739	9.1
535.87372	1.5
539.37366	100.0
540.37927	2.8
557.38446	52.6
565.68256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01864	3.1
55.05266	1.2
55.05515	20.5
57.03449	6.0
57.07068	3.7
65.03932	3.1
67.05509	46.8
69.03446	1.5
69.06722	1.5
69.07069	17.0
69.84228	4.5
71.04992	3.4
71.08632	1.9
77.03939	1.2
79.05496	41.8
80.67546	0.9
81.03406	4.3
81.07060	44.3
83.04978	5.1
83.08617	10.1
85.02882	0.9
85.06554	3.5
87.55780	0.9
91.05486	45.1
93.07053	41.6
95.04987	9.3
95.08613	32.6
97.06530	3.4
97.10183	5.2
98.98457	2.0
99.08069	1.9
103.05482	1.9
103.75052	0.9
105.07035	40.1
107.04965	5.6
107.08606	21.4
109.06552	5.7
109.10157	12.0
111.08124	3.8
115.05477	2.5
117.07029	17.6
118.56141	0.9
119.08590	32.0
121.06532	2.5
121.10154	13.2
123.08062	3.9
123.11706	2.2
125.09674	2.4
128.06232	5.9
129.07008	19.3
130.07791	1.9
131.08578	28.8
133.06506	2.2
133.10139	20.1
135.08081	3.2
135.11725	10.1
137.09641	2.6
139.11212	1.2
141.06989	9.9
142.07784	4.9
143.08560	25.4
144.09308	1.6
145.06517	3.5
145.10130	28.2
147.08058	1.9
147.11700	18.4
149.09627	3.7
149.13286	4.9
153.07030	2.2
154.07779	1.8
155.01071	2.5
155.08566	18.2
156.09337	2.7
157.06528	1.4
157.10149	21.1
159.08116	3.1
159.11713	19.5
161.09608	2.9
161.13271	11.1
163.11246	2.6
163.14789	1.4
166.07870	1.4
167.08577	7.3
168.09389	2.2
169.10135	23.5
170.11011	1.4
171.08147	2.2
171.11702	22.2
173.09636	2.3
173.13269	11.4
175.11243	1.4
175.14868	5.0
177.12784	2.2
178.07834	1.0
179.08641	3.2
179.14333	1.1
180.09377	2.0
181.10141	15.7
182.10854	1.5
183.08069	1.0
183.11703	18.7
185.09642	1.3
185.13278	16.0
187.11205	3.1
187.14812	7.3
189.11250	1.0
189.12798	3.9
189.16478	1.5
193.10193	3.7
195.11737	13.1
196.12425	1.4
197.13271	14.5
199.11227	1.2
199.14848	8.2
201.12666	1.8
201.16438	2.0
205.10236	1.4
205.12285	1.5
207.11719	4.1
207.13795	4.3
208.12433	1.1
209.13255	8.8
211.14845	9.5
213.12929	1.4
213.16402	9.6
215.18095	2.0
217.19487	1.0
219.11607	1.1
219.17375	1.4
221.13319	3.7
223.13083	1.0
223.14914	6.3
225.16447	3.8
227.14470	1.3
231.17418	1.4
231.21045	1.2
233.15546	1.3
235.14882	2.4
237.16418	2.7
239.18010	2.6
241.14346	1.6
241.19543	8.1
247.17055	2.8
249.16487	1.6
251.18040	1.8
257.19080	3.4
259.20633	14.6
261.22217	2.1
263.17862	1.2
269.19113	1.2
271.17352	0.8
271.20621	1.2
279.15677	5.7
279.20944	1.4
281.17352	11.1
285.18790	1.6
285.22189	1.3
295.20706	2.3
297.17053	1.4
297.22141	2.3
299.20294	1.7
299.23676	2.1
305.04001	1.0
309.22336	1.2
311.20200	2.0
311.23761	1.3
313.21716	1.5
315.23340	2.2
321.22134	2.8
323.23758	3.0
325.21591	2.0
325.25284	1.2
333.24417	4.9
335.23788	4.0
337.21506	1.2
337.25235	1.3
339.23141	2.1
339.26953	1.5
341.24890	2.2
347.23447	1.1
349.25406	1.4
353.24908	3.0
365.24719	1.3
367.26083	1.9
413.52014	1.0
419.33194	4.1
429.31610	7.4
437.34235	9.8
447.32635	25.2
455.35132	2.0
465.33746	27.2
466.63177	0.9
483.34753	16.1
501.35889	3.3
503.35367	1.9
511.37680	1.4
521.36176	9.6
527.37152	2.6
529.38666	8.1
539.37341	100.0
540.37848	3.3
557.38409	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01856	5.6
55.05517	26.5
57.03447	8.6
57.07074	3.0
57.89163	1.5
59.86719	1.9
65.03936	3.3
67.05177	2.8
67.05510	52.9
69.03428	15.8
69.07072	19.5
69.21852	19.8
71.04992	3.4
79.05077	2.7
79.05503	52.3
79.05959	3.3
79.12608	1.9
81.03423	9.9
81.07066	52.2
83.04980	5.1
83.08636	11.2
85.02898	6.7
85.06500	2.3
91.05483	47.0
93.07053	49.2
95.04965	7.0
95.08062	2.4
95.08622	36.5
97.02889	5.0
97.06519	4.9
97.10168	5.9
99.04448	6.9
99.08140	2.9
100.31100	1.6
103.05419	2.7
105.07042	41.3
107.04954	8.2
107.08604	22.6
109.06510	2.9
109.10159	17.8
111.08063	2.5
113.09669	1.7
115.05455	2.3
115.76626	1.6
117.05505	5.0
117.07024	18.5
119.08591	34.6
121.06507	4.1
121.10154	16.2
123.08074	5.0
123.11733	3.6
123.70857	1.7
125.09625	4.3
128.06252	2.8
129.07028	17.3
131.08588	34.5
132.09050	1.7
133.06479	2.3
133.10149	21.8
135.08098	4.0
135.11748	10.2
141.06978	7.5
142.07774	2.4
143.08572	25.4
145.06517	2.2
145.10133	29.6
147.08043	5.0
147.11696	21.3
149.09619	4.8
149.13263	5.7
154.07787	3.8
155.08557	21.8
156.09328	3.7
157.10158	24.4
159.08014	5.3
159.11685	20.2
161.09581	2.4
161.13275	11.9
163.11172	3.5
165.06998	3.0
166.07684	2.1
167.08636	9.0
168.09355	2.1
169.10153	20.1
171.11728	23.9
173.09593	2.8
173.13237	13.0
175.11238	2.8
175.14865	3.7
177.12752	3.4
181.10121	16.0
182.10851	2.1
183.11720	14.2
185.09703	3.8
185.13255	14.7
187.11147	3.6
187.14825	7.3
189.12666	3.0
193.10121	5.4
195.11719	13.7
197.13289	18.1
199.11230	2.4
199.14833	9.0
201.16437	3.0
207.11723	4.7
207.13785	4.2
209.13333	10.0
211.14923	9.9
213.16368	8.3
219.11485	2.3
219.17476	3.4
221.13326	2.8
223.14893	6.5
225.12801	2.2
225.16447	3.7
227.12715	2.2
231.17331	2.2
233.13255	2.1
235.14842	4.3
237.16354	5.3
239.17966	3.6
241.19595	8.7
251.18181	2.6
257.19031	2.9
259.20554	15.2
261.22015	3.4
263.17911	2.2
279.15939	3.8
281.17499	7.3
283.20807	2.2
297.22238	2.6
313.21643	3.9
315.23297	3.1
333.24335	3.6
335.23480	3.6
339.22964	4.2
349.25174	3.8
353.24609	3.3
387.27164	1.9
419.33212	3.1
429.31445	5.7
437.34164	10.1
447.32611	23.6
465.33710	28.0
483.34720	16.2
501.35611	4.2
521.36194	10.1
527.37579	2.3
529.38623	8.1
539.37323	100.0
540.37665	2.9
557.38531	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
55.05513	18.8
57.03434	5.4
57.07063	4.5
65.03928	4.3
67.05507	43.1
69.03388	2.3
69.07081	15.6
71.05005	3.5
79.05494	40.9
81.03414	4.0
81.07063	45.7
83.04997	4.4
83.08609	9.2
83.79330	2.4
84.75397	2.1
85.06525	3.5
89.06030	3.7
91.05486	41.3
93.07047	38.7
95.04961	9.7
95.08607	27.0
97.06516	4.2
97.10126	5.7
105.07030	39.3
107.04962	8.0
107.08607	21.3
109.06474	3.5
109.10165	14.7
117.07032	22.6
119.08584	30.8
121.06468	4.1
121.10135	13.0
123.08035	4.9
125.09613	4.8
128.06219	5.2
129.06995	21.0
131.08572	34.3
133.08617	3.6
133.10149	19.0
135.11667	10.1
141.06990	9.1
142.07738	5.2
143.08553	25.5
144.09366	3.6
145.10104	24.3
147.11699	20.2
149.09654	3.4
149.13214	3.6
155.08557	20.1
157.10146	21.2
159.11716	16.6
161.09593	4.8
161.13295	11.2
163.11230	2.8
167.08540	7.8
168.09406	3.4
169.10124	24.3
171.11703	22.6
173.13234	15.4
175.11311	3.4
175.14828	6.0
178.07802	3.0
179.08583	3.7
181.10130	13.5
183.11693	20.8
185.09657	2.2
185.13266	18.0
187.11179	3.3
187.14769	5.7
192.09549	2.8
194.10934	2.6
195.11693	11.6
197.13242	12.9
199.11122	3.3
199.14870	7.7
207.11841	5.0
207.13828	4.4
209.13258	12.2
210.13928	2.4
211.14806	11.8
213.16357	10.1
219.11765	3.3
223.14772	3.1
225.16438	5.0
235.14766	2.8
237.16402	5.7
241.19556	5.9
257.18954	3.1
259.20520	8.5
263.17944	3.5
279.15994	2.8
281.17502	8.1
297.22281	3.0
316.58279	2.2
321.21478	2.5
333.24200	5.2
337.25400	3.1
341.24850	3.3
349.25195	2.9
429.31635	5.7
437.34085	14.0
447.32599	26.0
465.33749	24.8
483.34845	16.2
503.35049	2.9
521.36151	9.2
527.36853	3.3
529.38885	7.1
539.37335	100.0
540.37927	4.4
557.38367	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	18.2
55.01875	5.4
55.05508	27.3
57.03421	10.6
57.07064	14.4
61.02918	5.4
64.47497	4.7
67.05505	54.8
69.03434	54.9
69.07073	50.4
69.35456	36.5
70.06594	41.4
71.04990	14.1
71.06886	7.4
71.08622	9.1
72.08167	7.5
73.02890	6.3
79.05487	30.9
81.03418	49.3
81.07058	90.9
83.04966	16.4
83.08616	29.8
85.02906	63.5
85.06551	5.0
87.00823	17.3
87.02672	4.1
91.05479	27.8
93.07047	48.4
95.04979	23.7
95.08057	7.3
95.08609	100.0
97.02875	27.2
97.06528	16.0
97.10148	10.3
99.04437	15.9
100.15516	4.1
105.01868	7.8
105.07019	42.3
107.04930	5.6
107.08590	42.1
109.02878	37.1
109.06537	8.9
109.10170	52.7
111.04426	7.6
111.08105	8.5
111.11723	8.7
112.07571	8.1
115.03873	4.4
117.07014	5.9
118.59802	5.6
119.04950	5.6
119.08579	27.6
121.06498	7.2
121.10154	40.5
123.04405	8.0
123.11716	20.4
125.09629	6.5
127.03914	70.6
127.64079	5.6
129.06927	5.3
131.08569	14.5
133.06508	8.6
133.10121	19.8
135.11674	22.0
137.05969	13.0
137.13229	12.1
139.03920	6.7
143.08502	8.8
145.04901	8.7
145.10094	10.1
147.04410	8.4
147.11661	16.8
149.09561	5.9
149.13242	21.9
151.11143	4.6
151.14775	6.8
153.05469	53.3
155.08603	4.9
157.10094	6.8
159.08063	5.4
159.11693	13.8
161.09642	6.1
161.13271	6.5
163.11331	5.4
163.14812	13.8
167.07088	6.1
171.07889	4.4
171.11700	5.0
173.13255	4.5
175.14694	5.0
177.05481	8.9
177.16470	7.1
185.13194	4.9
187.07486	6.7
189.16589	5.0
201.09094	17.4
203.17892	5.4
215.10789	6.5
227.10710	5.0
231.04939	15.3
233.11790	4.8
291.26877	17.0
309.27582	6.5
353.13812	5.2
359.08340	4.7
365.13260	5.8
367.15298	14.4
381.27774	5.3
399.28964	11.1
417.29910	6.1
503.29752	6.7
557.20343	8.9
557.34540	7.1
569.92682	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	556.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.7
55.05516	8.7
57.03432	5.5
57.07082	28.3
58.06600	1.6
67.05500	10.5
69.07069	7.5
70.06595	13.1
71.08639	16.3
71.55589	1.6
72.08161	1.9
73.02898	1.5
78.45322	1.6
79.05491	9.4
81.07066	16.4
83.04974	1.6
83.08631	7.9
85.10184	11.7
86.09698	2.2
86.86852	1.3
88.07640	4.2
89.06046	13.5
91.05506	3.8
93.07052	15.8
95.04987	3.7
95.08619	26.9
97.06577	2.4
97.10178	2.7
99.04463	1.8
102.09188	3.8
105.07031	3.3
107.04967	3.9
107.08615	13.1
109.10165	7.6
111.08109	1.5
117.07027	3.3
119.08587	4.9
121.06496	2.0
121.10175	5.9
123.11710	1.5
125.21449	1.3
132.10216	3.1
133.08617	6.8
133.10127	1.9
135.11703	21.3
145.10120	11.8
146.11780	6.0
151.93364	1.2
163.11192	27.5
177.11259	3.7
181.12247	3.7
214.60991	1.4
227.12804	38.2
230.87947	1.3
256.26349	7.9
272.26147	2.6
283.15439	29.4
283.18454	1.6
283.26334	38.8
300.28998	19.6
311.29449	3.0
313.27390	52.9
371.22958	3.6
459.01047	1.6
521.38403	34.3
556.53046	100.0
562.39581	1.7
566.12628	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	3.5
51.42390	2.8
53.03950	11.5
53.77293	2.3
54.72520	2.1
55.01868	8.4
55.05507	20.5
57.03434	7.8
57.07066	8.4
59.28296	2.0
61.02924	4.6
65.03949	4.0
67.05177	3.7
67.05510	53.5
68.99803	3.9
69.03072	4.5
69.03431	57.0
69.07070	36.5
69.43033	8.3
69.43457	8.0
70.06593	13.4
71.04993	11.0
71.08633	3.5
72.08147	4.5
73.02913	4.8
77.03972	2.0
79.05501	36.2
81.03423	52.3
81.07061	100.0
83.04977	9.9
83.08623	15.8
84.08158	3.9
85.02903	59.7
87.00832	19.7
91.05483	33.7
93.07043	55.1
95.04972	18.1
95.08609	84.1
97.02889	31.3
97.06541	8.6
97.10159	14.5
98.20787	4.4
99.04465	17.5
99.08136	2.5
103.05478	3.0
105.01869	8.7
105.07041	41.5
107.04942	3.4
107.08604	39.6
109.02215	3.5
109.02883	35.5
109.06541	7.5
109.10161	71.8
111.04473	5.2
111.08102	6.1
111.11734	8.4
115.03962	3.9
117.07033	9.4
119.04969	3.0
119.08581	39.6
121.06499	6.2
121.10149	39.1
122.06017	3.0
123.04410	5.9
123.08096	4.2
123.11710	32.7
125.13216	2.7
127.03920	66.7
129.01878	4.2
129.06963	3.0
131.08575	19.8
133.06514	3.7
133.10129	24.1
135.04422	3.7
135.08098	3.0
135.11678	24.8
137.06015	5.5
137.09624	4.8
137.13242	12.2
139.11185	3.0
143.08594	5.5
144.06923	2.2
145.04935	9.0
145.10133	16.6
147.04518	5.1
147.08096	2.6
147.11697	16.5
149.06047	2.5
149.09685	5.5
149.13269	22.7
151.11194	5.7
151.14737	2.4
153.05467	2.6
155.08640	2.9
157.10141	6.3
159.02856	3.9
159.08083	2.9
159.11699	14.6
161.09540	4.1
161.13286	14.5
163.03909	8.6
163.14833	11.5
165.09142	2.4
165.12834	2.5
166.08638	3.2
167.07077	9.5
167.08815	2.3
169.10139	3.2
171.11682	5.4
173.09598	3.5
173.13307	6.3
175.14828	10.1
177.12787	2.6
177.16408	9.2
183.11681	2.9
185.13269	7.9
187.05983	4.5
187.11302	2.8
187.14851	8.4
189.16408	8.0
191.17953	2.5
199.14806	2.7
201.16438	5.3
203.18040	3.0
213.04001	7.4
215.14415	3.5
215.17947	7.0
219.10176	2.5
225.16255	2.8
231.04993	15.5
231.13911	2.7
231.21138	2.4
245.22774	2.6
255.17329	2.8
263.23813	2.2
271.24149	12.4
289.25217	18.6
307.26251	5.7
351.43497	2.3
397.27228	6.8
415.28522	6.3
501.28635	5.9
519.29364	8.7
537.29889	3.8
555.26331	4.0
563.72601	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	555.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	3.5
51.42390	2.8
53.03950	11.5
53.77293	2.3
54.72520	2.1
55.01868	8.4
55.05507	20.5
57.03434	7.8
57.07066	8.4
59.28296	2.0
61.02924	4.6
65.03949	4.0
67.05177	3.7
67.05510	53.5
68.99803	3.9
69.03072	4.5
69.03431	57.0
69.07070	36.5
69.43033	8.3
69.43457	8.0
70.06593	13.4
71.04993	11.0
71.08633	3.5
72.08147	4.5
73.02913	4.8
77.03972	2.0
79.05501	36.2
81.03423	52.3
81.07061	100.0
83.04977	9.9
83.08623	15.8
84.08158	3.9
85.02903	59.7
87.00832	19.7
91.05483	33.7
93.07043	55.1
95.04972	18.1
95.08609	84.1
97.02889	31.3
97.06541	8.6
97.10159	14.5
98.20787	4.4
99.04465	17.5
99.08136	2.5
103.05478	3.0
105.01869	8.7
105.07041	41.5
107.04942	3.4
107.08604	39.6
109.02215	3.5
109.02883	35.5
109.06541	7.5
109.10161	71.8
111.04473	5.2
111.08102	6.1
111.11734	8.4
115.03962	3.9
117.07033	9.4
119.04969	3.0
119.08581	39.6
121.06499	6.2
121.10149	39.1
122.06017	3.0
123.04410	5.9
123.08096	4.2
123.11710	32.7
125.13216	2.7
127.03920	66.7
129.01878	4.2
129.06963	3.0
131.08575	19.8
133.06514	3.7
133.10129	24.1
135.04422	3.7
135.08098	3.0
135.11678	24.8
137.06015	5.5
137.09624	4.8
137.13242	12.2
139.11185	3.0
143.08594	5.5
144.06923	2.2
145.04935	9.0
145.10133	16.6
147.04518	5.1
147.08096	2.6
147.11697	16.5
149.06047	2.5
149.09685	5.5
149.13269	22.7
151.11194	5.7
151.14737	2.4
153.05467	2.6
155.08640	2.9
157.10141	6.3
159.02856	3.9
159.08083	2.9
159.11699	14.6
161.09540	4.1
161.13286	14.5
163.03909	8.6
163.14833	11.5
165.09142	2.4
165.12834	2.5
166.08638	3.2
167.07077	9.5
167.08815	2.3
169.10139	3.2
171.11682	5.4
173.09598	3.5
173.13307	6.3
175.14828	10.1
177.12787	2.6
177.16408	9.2
183.11681	2.9
185.13269	7.9
187.05983	4.5
187.11302	2.8
187.14851	8.4
189.16408	8.0
191.17953	2.5
199.14806	2.7
201.16438	5.3
203.18040	3.0
213.04001	7.4
215.14415	3.5
215.17947	7.0
219.10176	2.5
225.16255	2.8
231.04993	15.5
231.13911	2.7
231.21138	2.4
245.22774	2.6
255.17329	2.8
263.23813	2.2
271.24149	12.4
289.25217	18.6
307.26251	5.7
351.43497	2.3
397.27228	6.8
415.28522	6.3
501.28635	5.9
519.29364	8.7
537.29889	3.8
555.26331	4.0
563.72601	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	554.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01872	3.3
55.05495	1.4
57.03423	2.4
60.87075	0.7
61.02917	2.2
65.03954	1.6
67.05524	3.8
68.53093	0.7
68.99782	2.0
69.03429	10.1
69.07064	2.1
70.06601	19.4
71.04993	1.6
71.55623	0.8
72.08150	3.3
73.02911	2.7
78.56957	0.6
79.05499	3.7
80.63697	0.6
81.03421	11.4
81.07070	3.6
81.22521	0.6
83.04982	1.3
83.08651	0.8
84.08144	1.5
85.02916	21.7
85.06476	0.8
87.00839	10.1
91.03965	1.1
91.05487	5.2
93.07038	2.1
95.04982	4.1
95.08574	1.8
95.62706	0.8
97.02896	10.4
97.06538	1.9
99.04476	4.1
100.11293	1.0
101.02464	0.9
103.03909	0.9
103.05460	1.2
105.01859	4.2
105.07023	3.4
107.08616	1.6
109.02895	8.7
109.06489	0.9
109.10142	2.3
112.07607	2.5
114.09196	1.2
117.01858	2.2
117.07027	2.0
119.04975	4.0
119.08601	2.2
121.06505	1.7
121.10122	1.4
123.04446	26.3
123.08089	0.7
125.05994	1.2
125.09631	0.8
126.16073	0.7
127.03928	13.4
128.07097	1.0
129.01837	2.6
131.04927	1.4
131.08603	1.0
132.05264	0.7
133.06512	1.3
133.10078	1.0
134.06046	1.5
135.11732	0.9
136.07588	1.4
137.05969	4.4
138.03160	4.8
138.09209	1.4
145.04973	4.0
145.10129	2.2
147.04424	28.6
147.11702	1.7
148.07603	1.2
149.05989	2.2
149.09660	1.4
153.05479	100.0
154.05803	1.4
159.02902	4.5
159.04216	0.9
159.08067	0.9
159.11798	0.8
159.25392	0.7
160.05171	1.1
161.06015	2.8
163.03940	1.8
163.07533	1.1
163.11121	1.0
165.05487	13.9
166.08691	0.8
167.07100	1.8
170.15414	0.9
170.43307	0.7
173.05962	3.8
173.13237	0.7
177.05522	1.2
179.07121	3.4
185.06024	1.4
186.01875	0.8
189.03926	1.6
189.05455	9.8
200.14360	0.9
201.16411	0.8
213.05620	1.1
213.11507	1.0
215.07036	2.6
224.68051	0.7
228.13889	4.7
231.06725	5.1
274.12781	0.8
288.17020	2.2
289.10703	4.0
294.37650	0.7
306.18298	2.6
313.10669	6.4
331.11627	3.4
335.07617	2.4
336.12949	2.6
355.11813	7.2
378.07983	0.8
378.22760	0.7
379.11926	4.0
379.16129	0.8
397.12866	7.1
426.42868	0.7
501.13992	1.6
518.34607	1.5
536.35620	2.5
554.28424	0.9
554.36957	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	554.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13701	1.4
54.94230	1.6
55.05509	2.9
57.03440	2.2
57.07076	100.0
59.05002	41.5
59.49044	1.4
62.75140	1.4
64.93614	1.5
66.00410	2.0
67.05532	1.4
69.07064	2.4
69.76389	9.3
71.08633	73.2
81.07046	2.6
83.08643	3.0
85.10182	64.0
87.04478	3.2
89.06041	12.8
95.08555	2.2
97.10173	2.5
98.21433	2.2
99.11732	11.7
101.09688	4.5
103.07564	2.7
113.13294	5.7
117.09140	20.0
133.08623	9.5
133.10205	2.9
142.79335	1.7
151.09682	3.5
155.17928	7.5
161.11775	1.9
180.06021	1.7
191.12799	2.8
209.13858	2.9
213.22112	17.7
214.09317	1.7
238.36160	1.8
267.18140	1.7
271.26334	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	553.2988
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
53.71378	0.3
55.05528	0.3
67.05492	0.7
69.07062	0.5
71.55898	0.4
71.56277	0.3
72.08133	0.6
79.05470	0.6
81.03437	0.4
81.07047	1.2
90.56960	0.3
93.07037	0.9
95.08640	1.4
96.01813	0.3
103.83407	0.3
105.07050	0.7
107.08580	0.8
109.10152	0.8
110.10497	0.3
117.07055	0.3
119.08569	0.4
120.08829	0.3
121.10165	0.6
125.02119	0.3
131.08597	0.5
133.10149	0.6
135.11659	0.6
145.10204	0.6
147.11714	0.5
161.13274	0.5
163.11253	0.4
169.04778	0.3
185.04199	2.0
201.03760	1.1
203.18033	0.5
217.04944	0.4
259.07947	1.2
275.07458	1.1
301.08893	0.6
311.99109	0.3
313.71405	0.3
321.03738	0.3
331.10019	3.6
345.11597	0.6
359.13101	0.6
373.14890	0.8
383.63531	0.3
391.24326	0.7
401.18085	0.5
415.19464	1.1
455.22614	0.6
483.22241	1.6
535.28125	0.5
553.29852	100.0
554.30139	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	553.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
57.87624	0.3
67.05499	1.3
69.07060	0.8
70.06586	0.4
71.55437	0.4
71.55801	0.4
72.08154	0.4
72.10761	0.3
79.05494	0.6
81.03439	0.4
81.07046	1.4
81.16551	0.4
83.08641	0.5
85.02944	0.4
91.05484	0.9
93.07061	0.5
93.60622	0.4
95.08617	1.7
101.22872	0.4
105.07046	1.0
107.08607	0.7
109.02863	0.4
109.10155	0.9
112.63670	0.4
119.08616	0.6
121.91327	0.4
123.11731	0.7
131.08598	0.5
133.10127	0.6
133.11086	0.4
135.68643	0.4
138.02797	0.4
149.13297	0.4
151.23412	0.4
157.04800	0.4
185.04149	2.4
199.05713	0.4
201.03781	0.8
259.07916	1.8
263.59528	0.4
275.07492	0.8
301.09174	0.6
317.19696	0.4
331.10129	3.6
345.11697	0.8
359.13138	1.0
391.24460	0.6
401.17743	0.5
415.19568	1.1
455.21988	0.4
462.28647	0.4
483.21918	2.5
553.29852	100.0
554.30396	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.01875	1.1
55.05506	1.4
57.03438	1.8
61.02932	8.8
67.05493	2.3
68.05019	2.4
69.03432	6.8
69.05805	1.0
69.07070	1.8
69.90101	1.5
69.90511	1.8
70.06596	48.6
71.04979	2.0
72.08154	8.4
73.02923	6.6
73.08481	0.8
79.05504	2.6
80.05014	0.8
80.19179	0.6
81.03438	4.9
81.07068	3.3
82.06578	1.7
83.04980	1.0
83.07361	1.8
83.08637	1.1
84.04485	1.4
84.08174	3.1
85.02905	10.1
86.09714	1.5
86.45204	0.6
86.74785	0.5
87.04471	0.7
87.48588	0.7
89.10810	2.0
91.03949	5.1
91.05488	2.7
92.06468	0.7
93.07048	2.0
94.06559	0.8
95.04961	2.2
95.08609	2.2
96.08109	1.2
97.02895	7.9
97.06547	0.9
97.10220	0.7
98.06026	1.1
98.09676	1.0
98.26703	0.7
99.04480	1.1
101.02382	1.5
105.07034	3.7
107.04955	1.8
107.08593	1.7
109.02889	2.5
109.06530	1.1
109.10145	2.0
110.06059	1.1
110.07153	0.8
111.08059	0.8
112.07605	0.8
115.03967	0.6
116.07108	1.2
119.04964	0.8
119.08578	4.6
120.04484	0.6
121.10158	1.5
122.02729	0.7
122.05998	0.7
123.04417	0.7
124.07607	1.4
125.09657	0.9
126.09160	2.5
127.03912	3.3
129.07039	0.9
131.08594	1.6
133.10127	4.1
134.59784	0.6
136.07570	1.6
137.06015	1.6
140.07066	1.0
141.07806	0.9
142.08661	1.9
143.08980	0.9
145.02878	0.8
145.04942	1.3
145.10135	1.2
147.04434	2.2
147.11699	1.4
149.09711	0.7
150.05524	0.7
153.05498	1.0
157.10126	0.8
161.06131	0.7
162.05496	6.8
163.03987	1.0
163.05861	4.0
167.07040	0.7
175.11250	0.6
175.14828	10.4
177.05482	1.7
193.12250	2.1
193.15900	1.6
205.12291	0.7
208.17047	0.8
211.13417	0.8
212.09230	1.3
226.17996	1.5
236.16476	5.4
238.18021	6.8
254.17525	15.9
256.19131	3.4
261.12546	0.9
262.12732	0.8
279.13544	0.7
300.22012	0.9
303.13281	3.2
304.13681	6.8
328.21185	34.5
330.22733	9.1
365.39288	0.7
370.22269	0.6
372.23807	37.4
373.45416	0.7
390.24774	0.9
490.26422	9.2
534.29132	100.0
535.29492	2.8
552.20532	1.9
552.29962	8.8
553.24078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
53.32931	2.7
54.53704	2.9
55.05523	15.1
57.03436	3.3
57.07070	5.2
62.40432	3.3
67.05515	23.3
69.07079	13.4
69.80370	14.1
71.08639	4.2
78.86069	2.9
79.05497	50.0
81.03416	7.5
81.07073	26.1
83.08642	5.8
85.10181	4.4
91.05479	22.1
93.07052	66.6
95.04974	5.1
95.08593	19.5
97.10196	6.7
98.20754	5.3
105.07034	13.3
107.08598	34.3
109.10172	14.0
111.04464	3.7
117.07059	5.1
119.08602	12.0
121.10160	34.8
131.08531	3.7
133.10129	13.4
135.11703	34.5
147.11649	5.8
149.13226	14.6
163.14876	7.1
171.11676	4.6
173.13263	3.8
179.96674	3.1
221.15385	3.7
222.36092	2.8
227.12762	9.2
235.16866	3.1
236.14543	2.9
241.14342	10.5
259.20813	3.0
267.15927	3.8
268.16327	2.9
268.91080	3.3
277.21664	100.0
278.22137	3.4
342.30826	3.4
433.28430	3.0
461.78064	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01858	0.9
55.05518	1.6
56.05043	0.7
57.03440	1.8
58.46577	0.7
61.02939	6.6
67.05494	3.5
68.05016	1.8
69.03431	6.6
69.05809	1.8
69.07072	3.2
70.06596	50.6
71.01351	0.9
71.04984	1.6
71.55100	1.0
72.08159	8.4
73.02919	5.0
77.30824	0.8
79.05500	1.9
81.03419	5.6
81.07056	2.8
82.06589	1.3
83.07375	1.7
83.08627	1.9
84.08138	3.3
85.02909	11.1
86.09709	0.9
87.04455	0.9
89.10783	1.5
91.03967	4.5
91.05479	3.1
93.07045	2.3
95.04972	1.9
95.08600	2.5
96.08170	0.9
97.02898	8.2
97.06545	0.8
98.06083	1.4
98.09681	1.3
99.04469	1.7
101.02351	1.1
105.07030	4.1
107.08600	2.7
109.02891	2.6
109.10188	1.8
110.06039	1.6
113.79195	0.7
116.07084	0.9
119.08583	9.9
121.10143	2.0
122.05998	1.7
124.07612	2.2
126.09177	1.5
127.03893	4.9
130.05029	0.9
132.36455	0.8
133.10112	7.4
135.11671	0.9
136.07616	1.3
137.02357	1.1
137.05995	0.9
139.11296	0.7
140.07082	1.0
142.08675	3.9
145.03014	0.7
145.10077	1.3
147.04379	1.9
147.11682	2.2
149.09613	1.1
153.05501	0.9
156.10323	0.9
157.10127	0.9
162.05513	10.3
163.05836	5.6
175.14845	27.1
193.12201	1.6
193.15930	2.2
226.17952	1.0
236.16487	5.2
238.18005	6.1
243.11101	1.0
254.17508	16.5
256.19098	2.8
298.19897	1.4
300.21832	1.2
303.13397	5.8
304.13736	10.9
310.20166	1.0
312.58759	0.8
328.21191	38.1
330.22720	10.5
345.67798	0.8
372.23819	36.2
377.13998	1.0
390.24402	1.2
490.26474	8.1
516.28986	0.8
534.29144	100.0
552.21155	1.3
552.30273	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	553.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40924	2.6
53.03941	11.1
55.01863	13.1
55.05509	3.3
57.03436	10.0
61.02932	16.3
65.03957	3.5
66.22022	2.5
67.05505	19.3
68.99792	5.0
69.03434	30.4
69.12930	3.3
70.06595	32.7
71.05001	7.2
71.47388	6.1
72.08168	20.2
73.02917	16.3
79.05506	3.8
81.03422	48.0
81.07047	9.7
84.08144	5.8
85.02908	100.0
86.09706	5.3
87.00829	35.6
89.03919	4.7
91.03956	10.1
91.05480	5.1
93.07030	5.6
95.04976	4.3
95.08609	3.5
97.02896	53.9
97.06546	3.7
98.09705	5.0
99.04461	19.1
105.01879	19.7
109.02888	35.1
109.10148	17.7
111.04428	7.4
117.01895	4.5
117.03374	4.8
119.08591	4.2
119.44873	3.1
120.08116	4.0
121.02864	6.0
122.06041	3.1
123.04443	60.2
127.03927	52.9
129.01846	7.1
135.04453	8.2
137.04999	2.9
137.06012	12.0
139.03896	8.1
141.22476	2.9
145.01802	2.9
145.02867	17.5
145.04951	24.8
146.03180	5.8
146.05943	3.7
147.04399	6.2
149.02351	55.0
149.05939	4.3
151.03937	7.2
153.01842	72.9
159.02945	17.7
161.02362	5.3
163.03934	6.2
165.01839	5.1
166.08662	4.8
167.03413	9.0
167.07082	6.8
173.02388	5.3
173.11742	10.4
175.07462	4.0
177.01869	5.4
177.05492	32.5
178.05835	22.5
179.03470	4.4
179.06013	10.5
180.06273	3.9
181.04918	3.5
185.06068	6.4
191.03395	3.8
193.12326	3.4
195.02931	26.3
203.03442	5.1
207.13628	3.4
212.09195	10.1
213.05525	8.1
213.09453	6.0
214.09634	3.4
219.02956	6.9
229.14372	17.1
231.06630	29.3
241.04945	3.6
255.06543	4.5
255.17833	4.6
259.06036	37.7
261.04208	4.4
273.07730	4.4
283.06009	7.1
287.05511	23.2
301.07089	7.0
305.06586	83.8
306.41406	3.2
311.05435	6.6
325.07043	5.0
328.21204	12.1
329.06528	11.4
329.21494	9.8
347.07687	10.4
354.22507	3.0
372.23846	7.5
373.18680	3.3
373.24112	11.1
377.06738	4.1
383.06296	3.0
395.07526	5.0
413.08728	4.8
456.06055	2.8
534.29059	22.9
535.29559	38.2
553.23431	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	551.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	13.9
57.07068	4.6
57.16645	2.8
61.02913	3.2
63.69531	2.7
67.05509	24.0
69.03434	3.6
69.07075	26.0
69.23506	12.0
69.23936	17.5
70.69904	2.7
71.01352	14.0
75.04488	4.2
79.05514	15.6
81.03407	4.8
81.07063	58.6
83.08602	9.1
83.71899	2.8
85.02916	19.3
91.05475	18.8
93.07050	27.9
95.08613	87.3
97.10153	10.7
101.02377	27.3
105.07035	34.1
107.07978	4.4
107.08605	47.0
109.10153	48.6
111.11705	4.6
117.07076	3.6
119.08590	39.8
121.10152	44.0
123.11725	30.3
127.03927	53.5
131.08531	11.1
133.10138	34.6
135.11687	30.2
137.13254	21.8
143.08537	3.8
145.04970	19.9
145.10115	19.6
147.11691	28.5
148.38330	3.2
149.13222	26.2
157.10139	6.6
158.10933	3.4
159.11687	24.2
161.13272	20.9
163.14807	17.9
171.11722	6.3
173.13246	10.7
175.14871	14.4
177.16400	31.3
185.13269	4.9
187.14798	15.3
188.20874	2.8
189.16383	30.2
191.17928	27.0
199.14897	3.8
201.16388	26.4
203.17978	41.4
205.19493	11.5
207.53719	2.8
213.16469	5.9
215.17929	11.6
217.19513	31.3
227.17888	9.5
229.19539	13.6
231.21033	7.4
241.19545	5.1
243.21063	9.1
245.22569	6.5
255.21104	10.0
257.22650	8.4
269.22653	15.2
271.24274	4.5
283.24118	3.3
297.25900	6.3
301.18164	3.1
303.04944	13.3
407.36758	100.0
408.37161	3.5
425.97195	3.2
449.07285	3.2
495.06619	3.3
551.28510	21.5
551.41052	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	551.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
53.46357	2.3
55.01859	2.6
55.05522	15.7
57.07066	8.0
59.05042	2.6
62.60407	2.5
67.05513	28.9
69.07073	19.4
70.86145	5.7
70.86524	4.3
71.08619	3.4
79.05508	25.5
81.07068	48.4
83.04982	2.9
83.08624	10.3
91.05484	36.7
93.07053	60.6
94.07362	2.9
95.04961	8.8
95.08616	50.1
97.10178	4.7
101.02402	2.6
103.05480	3.9
105.07043	77.4
105.07758	3.8
107.08607	58.2
109.06493	4.8
109.10165	44.4
111.08095	2.6
115.05433	3.3
117.07014	15.9
119.08592	100.0
121.10153	51.7
123.11705	12.8
128.06233	6.9
129.07007	11.0
130.07785	7.4
131.08598	32.4
133.10146	65.3
135.11722	34.9
137.09628	5.1
139.55545	2.6
141.06981	3.5
142.07802	9.8
143.08586	28.2
144.09314	7.5
145.10149	69.9
147.11685	22.1
147.69849	2.7
149.09613	2.8
149.13280	5.1
151.14821	2.9
155.08557	10.9
156.09361	8.4
157.10146	36.6
158.10905	7.2
159.11729	38.4
161.13286	10.8
163.11131	3.0
163.14865	3.3
167.08543	5.9
168.09286	3.1
169.10162	16.8
170.10910	7.6
171.11688	23.9
172.12408	4.3
173.13243	24.1
175.14841	37.9
179.08554	5.1
181.10110	13.0
182.10899	5.0
183.11711	18.6
185.13310	14.1
187.14885	18.1
189.16406	3.1
193.10118	7.2
193.12289	3.4
194.10928	3.2
195.11693	11.3
196.12498	5.8
197.13261	24.5
199.14825	13.1
201.16347	17.3
203.17932	3.4
206.10860	2.9
207.11655	9.8
208.12491	4.9
209.13245	17.9
211.14980	12.1
213.16393	7.4
215.18042	3.6
219.17583	4.0
221.13316	6.2
223.14827	13.7
225.16350	6.0
227.17949	4.3
233.13205	3.1
235.14856	4.9
237.16411	6.6
239.17987	4.5
241.19493	5.5
247.14769	4.7
249.16434	4.0
251.17908	3.6
253.19528	7.0
259.14832	2.8
259.20569	3.2
265.19601	4.8
267.21094	6.6
275.17905	5.1
283.20410	4.4
285.22134	4.8
345.25546	3.7
355.78992	2.8
429.31427	3.0
533.41467	5.0
545.54016	2.8
551.42395	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	551.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01870	1.9
56.05062	0.7
57.03437	1.2
61.02940	1.0
67.05524	0.7
68.99797	1.5
69.03438	4.3
69.54480	3.8
70.06596	6.5
71.04980	1.0
71.06926	0.7
72.08154	3.4
73.02920	1.8
76.02229	1.0
79.05489	1.3
81.03423	6.8
81.07076	1.0
83.04976	0.7
84.07703	0.8
84.08163	8.3
85.02909	9.0
86.09711	1.1
87.00830	2.8
87.04476	2.1
91.05484	1.8
93.07069	1.2
95.04964	2.1
95.08587	0.7
96.08129	0.8
97.02905	3.9
97.06557	0.7
98.20758	1.4
99.04453	1.9
105.01856	1.7
105.03394	1.8
105.07050	1.6
107.04956	7.9
107.08584	0.6
109.02887	9.3
111.04453	6.2
112.07606	0.6
116.91308	0.6
117.01843	1.0
119.04966	1.0
119.08605	0.9
121.02851	0.8
121.06528	1.3
121.10163	0.7
123.04404	1.1
127.03933	5.5
128.07111	0.7
130.08713	0.7
131.04910	1.0
133.02858	12.4
133.10068	0.7
135.04424	14.7
137.02345	7.6
137.05989	3.2
139.03923	5.0
140.04704	1.5
145.02875	0.7
145.04979	2.3
147.04457	3.5
149.06041	0.9
153.01805	1.2
153.05461	9.0
159.02885	2.5
161.02357	2.3
163.03915	26.1
164.04654	1.5
165.05493	12.5
167.07069	1.7
169.04964	2.6
169.06360	0.8
179.04770	0.8
181.04965	0.8
191.07057	0.7
193.04971	2.4
197.06018	3.0
200.04700	0.8
201.05562	1.5
214.06354	0.6
215.06955	1.3
225.05458	2.9
229.05045	1.1
229.08641	7.4
231.05045	0.7
242.05772	1.7
243.06567	1.1
253.05052	3.1
257.04498	0.9
257.08014	3.5
270.05206	7.8
275.09274	2.3
285.04523	0.6
285.07587	31.2
303.05048	27.1
303.08636	100.0
304.09116	0.8
389.30182	2.6
410.21722	2.6
445.19437	0.9
521.01465	0.7
551.19336	1.0
572.29877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01858	1.5
55.05508	0.9
56.73085	0.6
57.03434	0.7
61.02932	0.8
67.05489	1.8
68.99788	0.7
69.03436	4.7
69.07058	1.2
69.88076	2.9
70.06600	2.8
72.08157	1.1
73.02895	1.8
78.01512	0.5
79.05495	2.7
81.03425	6.6
81.07043	2.1
83.04947	1.0
84.08141	0.7
85.02913	7.6
86.09702	0.9
87.00833	3.1
87.04494	0.7
91.05491	3.3
93.03396	0.8
93.07060	3.3
93.74239	0.5
95.04440	0.6
95.04920	2.7
95.08614	3.6
97.02902	5.0
97.06532	0.9
99.04446	1.5
103.05431	0.9
105.01856	1.0
105.03365	1.1
105.07040	3.0
107.04961	19.0
107.08572	2.4
108.79033	0.5
109.02886	12.5
109.06496	0.7
109.10136	2.1
111.04450	3.1
116.75390	0.5
117.03389	0.8
119.04956	1.4
119.08598	1.8
120.08106	1.0
121.10143	1.7
123.04389	2.9
126.03094	1.7
127.03889	4.4
131.05009	0.8
131.08600	1.0
133.02863	2.2
133.10156	0.9
135.04425	34.9
135.11702	0.8
136.07564	0.9
137.02356	7.7
137.05978	3.8
138.03130	0.8
139.03960	1.2
141.05493	3.0
142.11777	0.6
143.08517	0.8
145.02800	0.7
145.04994	1.9
145.06549	0.6
145.10144	1.2
147.04443	2.6
147.11667	1.6
148.82375	0.6
149.05943	0.7
150.03073	0.6
153.01852	1.3
153.04329	1.1
153.05481	14.9
155.92694	0.5
159.02859	1.7
159.11644	0.7
160.05196	0.5
161.05913	1.0
161.13251	0.8
163.03925	32.2
165.05489	3.6
167.07118	3.0
169.04988	14.4
169.06419	0.6
171.11664	0.8
173.05943	0.6
173.13249	0.6
175.07603	0.6
177.05498	1.9
178.02678	0.7
178.05020	0.8
179.03334	0.6
180.65715	0.5
183.06503	0.7
185.05963	0.8
187.07552	0.9
189.09055	0.6
193.04953	1.9
197.06033	2.1
197.08047	0.5
203.17969	1.6
204.18274	1.0
215.06984	1.9
225.05388	2.0
227.16444	0.7
229.04926	0.7
229.08647	1.6
231.04927	0.8
243.06558	1.0
253.04901	1.4
257.08130	2.0
269.04495	2.7
270.05313	3.7
275.09183	5.7
285.07568	8.3
302.07422	0.7
303.05106	10.2
303.08606	100.0
304.08926	2.0
371.14825	1.0
477.15573	0.8
551.30237	0.9
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	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01863	1.2
55.05515	0.6
57.03440	2.1
59.96004	0.4
61.02922	1.0
65.03945	1.0
67.05499	1.8
68.99790	1.6
69.03432	8.3
69.07072	0.7
70.06595	9.4
70.22974	1.6
70.23318	0.6
71.05015	2.2
72.08160	2.4
73.02912	1.8
74.81088	0.4
79.05486	1.5
80.40965	0.5
81.03422	8.5
81.07063	1.8
81.78320	0.4
82.49612	0.5
83.01334	0.4
84.08138	1.9
85.02911	11.9
85.06507	0.5
86.06062	0.5
86.09721	1.0
87.00834	4.5
87.04494	0.5
91.05517	2.0
93.03407	0.5
93.07046	1.9
95.04963	1.7
95.08601	1.3
96.08178	0.5
97.02903	11.9
97.06512	1.0
98.06032	0.7
99.04476	2.7
103.05451	0.9
105.01884	2.7
105.07040	1.4
107.04942	0.9
107.08607	1.2
109.02889	7.5
109.10159	1.0
110.03672	0.9
111.00829	0.9
111.08109	0.7
115.03945	0.6
115.05462	0.5
116.07109	0.8
117.01865	1.0
119.04969	1.0
119.08576	1.4
120.08141	0.7
121.02876	1.0
121.06507	1.3
121.10115	1.1
123.04436	1.0
123.08097	0.7
124.07574	0.5
125.06031	1.3
127.03929	9.9
128.07089	1.0
129.01868	0.7
131.04926	1.0
131.08571	0.6
133.06522	0.8
133.10130	1.2
135.04401	0.5
136.07617	0.9
137.02361	3.6
137.05962	2.5
138.03156	3.2
138.04021	0.6
139.03914	8.0
142.08694	0.7
145.02884	0.4
145.04950	4.2
147.02998	0.4
147.04408	2.3
149.09619	0.5
149.13312	0.5
151.07501	0.5
153.01851	4.4
153.05478	30.0
159.02896	2.8
159.04208	0.6
161.05989	1.5
163.03964	2.6
163.07552	0.6
164.07091	1.1
165.01804	2.2
165.05379	0.5
167.07018	3.6
169.06392	0.5
173.05960	0.8
175.07635	0.9
177.05453	2.4
179.03323	0.5
179.07031	0.7
181.08589	0.7
183.02907	1.2
185.12994	0.4
187.04019	0.6
187.07664	0.7
201.05484	2.4
207.13818	0.6
225.05536	0.5
229.04976	4.9
231.05045	0.7
235.07674	0.7
247.05800	0.5
251.06972	0.6
257.04483	2.9
260.77359	0.5
267.19522	0.5
274.05066	0.5
275.05524	0.5
278.10345	0.5
285.03983	1.9
285.12296	0.6
285.20645	0.7
287.05545	1.6
295.09595	1.4
301.07248	0.6
303.05042	100.0
303.08575	8.6
304.05441	1.2
323.09183	0.5
327.08664	0.7
327.12375	0.9
384.12540	1.2
389.12469	1.4
430.92856	0.5
505.62155	0.5
551.29144	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1032
Annotation	Quercetin 3-O-(6-O-malonyl-beta-D-glucoside)
Peak:m/z	Relative Intensity
50.93347	0.5
51.11381	0.4
53.03941	1.8
53.81798	0.4
55.01864	1.8
57.03432	1.1
61.02913	0.6
67.78807	0.4
68.99772	0.8
69.03432	6.1
69.96291	1.7
71.04987	1.1
73.02898	1.0
81.03428	8.3
85.02912	11.3
87.00840	5.1
94.40892	0.4
97.02892	3.7
99.04475	2.4
105.01882	2.9
105.82135	0.4
109.02878	7.1
111.00815	1.0
113.47592	0.4
117.01871	1.1
121.02895	0.9
127.03930	8.4
129.01859	0.7
137.02357	3.1
145.04962	3.8
153.01839	3.9
159.02899	4.5
163.03941	1.0
165.01848	1.5
173.05974	0.6
183.02873	0.8
187.03972	0.6
201.05522	1.3
223.53726	0.5
229.04997	4.3
231.05125	0.9
247.06050	0.8
257.04477	2.5
274.04837	0.6
285.03940	1.4
303.05011	100.0
304.05319	1.6
493.85944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.01878	1.1
55.05529	0.9
57.03440	1.4
61.02929	4.8
67.05519	1.8
68.05044	1.7
69.03433	4.0
69.07100	1.3
70.06597	60.1
70.94472	1.4
71.05014	2.4
71.06968	0.5
72.08177	2.2
73.02914	4.3
79.05495	2.2
81.03426	3.3
81.07088	1.4
82.06590	1.0
83.04987	1.2
84.08164	1.8
85.02908	5.3
86.06091	0.7
86.09711	1.9
89.03908	5.0
91.03969	3.0
91.05496	1.7
93.03415	0.6
93.07066	2.2
95.04984	1.1
95.08618	1.2
96.08144	2.6
98.06036	1.1
99.04485	1.2
104.39288	0.6
105.07056	0.7
106.04265	0.6
107.04985	2.0
107.08633	1.5
109.02905	1.3
109.10170	1.0
111.04443	3.8
111.08072	0.8
116.07130	0.7
117.02119	0.6
117.03383	14.0
119.05034	0.7
119.08613	1.0
120.08102	0.7
121.10180	2.2
124.07677	0.8
127.03951	1.8
129.10294	0.9
131.08607	0.9
134.03664	0.5
135.03563	0.7
135.04391	3.4
135.11699	1.5
137.06012	1.2
139.03865	4.4
140.07082	0.8
142.08644	5.2
145.02850	30.9
145.10110	1.2
147.04399	0.8
149.05957	4.7
149.09634	0.7
153.12796	0.9
163.03880	1.7
163.11221	2.0
164.07004	0.7
166.08656	13.7
177.05484	54.7
178.05896	0.6
181.04988	2.8
181.12338	2.5
191.10669	1.1
205.80200	0.6
212.09189	21.9
227.12917	0.8
230.85725	0.6
236.16406	3.0
254.17497	8.1
278.17548	0.8
287.05136	0.8
296.18524	5.4
301.07086	1.2
302.07333	2.7
303.05054	2.5
314.19632	4.1
321.09753	1.0
328.21213	11.9
339.10797	1.4
370.22186	13.1
374.14444	4.4
388.23303	100.0
389.23679	2.0
496.14511	0.7
532.27539	2.3
550.19739	2.2
550.28497	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.07922	0.4
57.24467	0.4
69.03426	1.0
69.64009	0.5
70.06586	1.8
70.90175	1.1
73.01859	0.5
81.03417	3.9
85.02900	1.7
88.03970	0.6
89.03920	6.4
91.05486	0.9
107.04913	1.2
109.02869	1.4
111.04442	2.1
114.94984	0.5
117.03384	20.8
127.03881	0.6
134.03644	1.6
135.04425	5.5
137.06012	0.6
139.03922	6.2
142.77986	0.5
145.02855	50.1
148.07515	0.6
149.05989	6.6
163.03905	1.8
165.69078	0.4
166.08643	18.8
176.54915	0.5
177.05479	100.0
178.05830	0.5
181.04967	4.9
195.06439	0.5
212.09189	42.2
254.17215	0.5
301.07098	0.5
302.07190	0.5
302.10318	0.6
321.09717	4.4
339.10767	3.0
347.39709	0.5
374.14450	4.2
388.23236	2.1
492.26648	0.5
550.19189	1.9
550.28784	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
57.03446	3.5
61.02956	2.1
62.58360	2.1
68.54121	1.8
68.99758	1.9
69.03432	6.2
70.06572	5.9
71.54659	2.5
72.08159	4.8
79.01871	1.9
82.24301	2.0
85.02894	15.9
91.03976	1.8
97.02869	6.0
104.10938	2.0
109.02890	3.7
116.07118	3.9
116.08086	1.8
117.03396	2.3
117.33751	2.0
127.03903	4.7
135.04404	8.2
139.03937	3.9
145.02861	8.7
145.05037	1.8
147.04431	5.9
149.02391	3.7
153.05469	100.0
163.03917	88.3
175.03833	4.6
177.01860	5.0
177.05458	4.6
181.04944	4.7
187.03934	4.7
195.06538	44.2
203.03413	49.1
205.04942	5.7
215.03354	7.5
219.26770	2.1
224.08113	2.0
231.02899	6.6
233.04507	5.2
235.06076	2.8
257.04550	2.7
261.04025	5.3
278.10391	2.2
279.05124	14.4
291.04904	13.9
300.97339	1.9
303.05063	3.3
321.06061	8.3
339.07153	64.4
371.09680	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01873	3.1
55.05513	21.7
57.03436	2.5
57.07079	26.6
65.03944	1.8
67.05509	36.6
69.07066	16.4
69.58009	8.9
71.04996	3.4
71.08269	2.3
71.08634	18.2
73.02942	1.6
79.05495	29.7
81.07065	47.8
83.04984	5.0
83.08625	19.4
85.06544	3.4
85.10202	10.4
91.05487	14.9
93.07054	39.1
93.07636	2.5
95.04980	7.6
95.08611	53.1
95.32169	1.3
97.02915	2.3
97.06522	3.5
97.10172	9.5
99.04478	3.7
99.08107	1.7
105.07040	17.8
107.04967	7.5
107.08600	27.4
109.06541	2.3
109.10162	11.9
111.08129	1.3
111.11725	2.3
116.40295	1.3
117.07032	9.7
119.08600	14.2
121.06497	3.8
121.10140	16.4
123.11717	10.1
125.05985	2.7
127.07636	1.4
129.07025	1.7
130.07820	2.3
131.08614	2.0
133.10156	4.4
135.08173	1.3
135.11703	40.4
137.13263	1.9
141.51500	1.1
143.08536	3.4
145.10127	25.6
147.11725	11.5
150.25363	1.2
153.12947	1.3
163.11198	54.5
165.12782	6.4
173.09718	1.7
181.12242	11.9
201.28526	1.4
209.11758	2.4
227.12793	100.0
228.13261	1.5
259.15149	1.2
267.15948	10.5
267.26572	1.3
279.82318	1.3
531.39905	1.6
549.41528	75.6
550.41858	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	549.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.2
57.07079	25.4
57.25473	2.3
67.05508	25.3
69.07073	13.0
69.25357	19.8
69.25744	3.0
71.08640	17.1
79.05497	27.6
81.03414	3.8
81.07065	30.2
83.05000	3.9
83.08625	12.8
85.10178	9.3
86.76935	1.8
91.05489	10.7
93.07050	40.0
95.04987	5.1
95.08612	54.6
96.22811	2.2
97.02920	4.5
97.06543	2.9
97.10186	7.1
98.20784	4.1
99.04480	2.7
105.07037	16.0
107.04980	10.0
107.08606	33.6
109.06604	2.6
109.10159	10.5
111.11729	3.7
117.07043	8.5
119.08599	20.2
121.06518	4.9
121.10159	17.1
123.11713	6.7
131.08601	3.7
133.10115	12.8
135.11714	42.1
137.13324	2.1
143.08614	3.6
145.10129	32.4
147.11757	3.1
155.08502	2.5
157.10147	4.1
159.11734	3.9
161.13181	2.5
163.11194	51.0
163.12546	3.7
169.10211	2.5
171.11656	2.6
173.13367	2.2
175.14873	3.6
179.08693	2.7
181.10286	2.6
181.12288	11.5
187.14825	2.7
195.11690	2.9
227.12798	100.0
247.14801	2.4
267.26913	2.9
291.33408	2.1
369.12442	2.1
450.74408	2.3
531.39502	3.1
549.41473	81.1
549.50098	3.9
550.42188	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	549.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01869	2.7
55.05500	0.8
55.77180	0.7
57.03437	4.1
59.04989	1.4
61.02916	4.7
63.03098	0.7
67.05498	2.5
69.03075	1.2
69.03427	16.7
69.07064	1.7
69.35670	1.7
69.36096	4.4
70.06599	4.5
71.01340	1.0
71.04987	1.9
72.08149	3.1
73.02921	2.2
79.05479	2.9
81.03421	7.7
81.07056	3.9
83.04972	2.5
84.08147	2.4
85.02908	58.9
85.06575	1.2
86.09685	1.1
87.04464	2.4
91.03957	1.5
91.05479	2.8
93.07034	2.2
95.04969	3.5
95.08610	3.7
97.02898	17.8
97.06526	2.7
98.21440	1.5
99.04478	3.4
103.03988	0.9
104.06911	0.7
105.07041	5.6
107.08588	3.6
109.02885	7.9
109.06516	3.2
109.10180	1.4
111.08077	1.0
114.77699	0.7
115.03864	0.8
119.04957	1.6
119.08588	2.8
121.06518	2.1
121.10141	3.1
123.08073	18.8
123.11750	0.9
125.05988	2.7
127.03927	16.1
131.08591	1.7
133.06494	2.0
133.10123	4.8
134.03662	1.7
135.08105	1.1
135.11708	1.4
137.02379	1.7
137.05998	2.6
137.09644	1.0
145.04968	20.1
145.10114	1.7
147.04393	2.6
147.11713	2.0
149.09619	1.4
151.03889	0.8
151.07550	27.1
152.01082	4.1
153.01857	4.5
153.05484	3.2
153.09116	2.6
157.06442	1.2
161.13260	1.3
163.03908	1.5
163.06026	3.0
163.11192	15.4
164.07085	2.0
167.07053	1.1
170.02109	3.1
171.06598	0.9
173.13339	0.9
175.03908	0.9
177.05505	1.0
181.05011	0.7
181.12225	7.3
185.05989	2.4
185.33348	0.7
189.12767	8.1
191.14326	1.3
202.06233	1.1
202.99579	0.8
207.13809	39.8
209.15430	6.6
212.04602	0.9
213.05463	3.7
225.14859	10.5
229.04982	2.2
230.05804	1.6
241.04987	8.8
245.08107	3.0
255.06468	1.2
269.04437	6.4
285.03958	1.4
286.04709	11.2
301.07080	100.0
302.07425	3.1
349.87918	0.7
369.13266	1.5
387.19962	2.1
549.12103	3.1
549.25439	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	549.124
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
55.01869	0.4
57.03432	1.2
59.05008	0.4
61.02912	0.4
61.64589	0.3
64.41529	0.3
69.03427	0.6
69.46570	1.9
69.46990	0.8
70.06606	0.7
81.03407	1.3
85.02910	1.7
87.00835	0.5
90.12317	0.3
97.02907	0.5
98.20750	0.7
102.33850	0.3
103.03910	0.4
105.03381	0.3
111.04445	0.4
121.02912	0.4
127.03903	0.5
135.04430	0.5
137.01357	0.6
137.02350	9.3
139.03923	0.5
141.06967	0.6
147.04448	0.6
150.03119	0.8
157.06462	1.7
163.03963	0.6
167.81999	0.3
169.06505	1.2
183.13269	0.3
185.05972	0.8
187.03952	0.7
188.04695	0.6
189.05495	1.4
191.03409	0.6
193.04915	0.4
196.05164	0.5
197.06000	3.7
199.03754	0.4
207.13759	0.4
211.07614	1.2
212.04771	0.9
213.05479	13.0
215.03401	1.1
216.04208	0.4
217.04918	0.4
225.05446	1.6
227.06990	1.8
240.04097	0.6
241.04974	13.8
245.08180	1.0
255.06595	2.3
268.03629	1.4
269.04465	14.8
273.07648	0.4
283.05975	1.8
286.04681	3.1
286.57898	0.4
301.07080	100.0
302.07425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
54.74049	0.2
55.01874	1.0
55.38608	0.2
57.03431	0.9
61.02918	0.6
62.42892	0.2
65.03944	0.6
67.15570	0.3
68.99795	2.4
69.03075	0.4
69.03431	5.1
69.28468	2.6
71.04978	0.5
73.02916	0.8
79.05489	2.3
81.03419	5.2
81.07065	0.5
82.45936	0.2
85.02909	5.6
87.00835	2.7
91.05481	1.7
93.07051	0.5
95.04993	0.6
97.02911	2.2
98.21502	0.5
99.04469	0.9
101.02393	0.3
103.05466	0.8
105.01874	1.1
105.06387	0.4
105.07039	4.8
107.04957	1.1
109.02888	3.1
110.03648	0.7
111.04511	0.3
115.03961	0.3
115.05454	0.6
117.01889	0.5
119.04943	0.4
121.06493	0.4
123.04419	0.3
125.05989	1.6
127.03924	3.9
129.01836	0.4
131.04941	0.3
133.06499	8.5
135.04427	1.0
137.05977	3.1
138.03123	6.2
143.03413	0.3
143.42250	0.3
145.04959	1.0
147.04437	0.8
149.05983	6.2
153.05472	100.0
154.05785	0.7
159.02907	1.1
161.05991	19.2
165.05432	0.5
167.07065	0.6
167.08411	0.4
173.06010	0.4
177.05481	1.4
179.07051	0.4
185.06056	0.5
187.07463	0.3
203.07025	0.5
223.07529	0.5
241.08611	0.3
243.06503	0.4
251.07095	0.6
255.10248	0.5
269.07986	0.8
283.09766	1.4
301.10706	87.7
302.10974	1.1
315.12338	0.3
343.11823	0.9
367.11844	0.6
409.12958	1.5
513.13806	0.8
549.15912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.124
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
61.43609	0.1
61.89024	0.1
63.11224	0.1
69.43929	0.2
69.44335	0.8
70.06593	0.1
74.55428	0.1
81.03400	0.2
81.62070	0.1
85.02901	0.2
91.05457	0.1
97.02821	0.1
105.07038	0.2
109.02848	0.2
115.59255	0.1
121.06484	0.1
123.04457	0.1
127.03904	0.2
131.04880	0.1
134.03674	0.2
137.06078	0.1
151.03882	0.2
153.01843	0.8
153.05493	0.2
175.03891	0.1
213.05527	0.2
229.04927	0.6
230.05667	0.2
241.04897	0.7
251.82553	0.1
255.06512	0.1
258.05246	13.0
259.05710	0.2
269.04413	0.8
286.04721	32.7
287.05139	0.3
299.05811	0.1
300.05945	0.2
301.07062	100.0
302.07394	1.1
385.14362	0.1
402.63193	0.1
425.10300	0.1
463.12442	1.7
531.11145	0.3
549.12390	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	548.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26333	0.5
69.23932	0.5
71.27714	1.1
81.29945	0.4
91.28076	0.4
99.10190	0.5
128.72975	0.5
132.91164	0.5
147.15331	0.5
209.66534	0.5
290.80228	0.6
374.14816	0.7
384.42087	0.5
387.16788	0.7
388.16486	1.6
389.17303	1.4
390.18127	1.3
401.17953	1.1
402.18274	3.2
403.19003	3.5
404.19531	5.2
416.19739	1.7
417.20868	2.8
418.21295	4.6
419.21796	2.3
430.21646	0.9
431.18015	3.7
432.18396	6.2
433.24158	2.8
434.24268	12.7
445.19690	1.3
446.20074	9.7
447.21222	3.8
450.02725	0.6
460.21329	3.8
461.22943	17.2
462.23761	10.0
473.23264	0.8
474.23795	3.2
475.24710	1.6
488.25073	0.6
505.25366	0.8
516.24591	0.9
520.28351	2.6
533.24908	1.2
548.27411	100.0
549.27795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	39.7
59.01042	15.0
67.05531	84.2
69.03432	28.1
69.07082	36.7
70.06580	22.1
71.56181	31.6
72.08169	28.4
75.42262	17.6
79.05508	79.4
80.76479	14.9
81.03423	33.1
81.07056	64.9
83.08607	21.8
85.02903	30.6
91.05500	83.6
93.07049	100.0
95.08627	60.4
96.28381	15.5
96.97099	15.7
97.02895	21.2
97.06474	16.9
98.09711	84.7
103.05451	16.5
105.07034	88.7
107.08606	47.7
109.10155	33.6
113.81075	15.6
114.67673	15.6
116.10736	35.6
117.07055	44.5
119.08568	78.4
121.10157	51.5
126.68262	15.8
129.07013	21.4
131.08540	74.2
133.10149	78.5
135.11708	43.5
143.08588	27.9
145.10141	47.2
147.11659	38.1
155.08672	21.3
157.10254	20.3
159.11723	46.5
161.13243	31.7
171.11774	24.6
173.13292	31.1
185.13228	18.3
196.07341	90.9
201.63135	16.9
259.20615	38.4
325.21646	19.2
339.23044	21.8
351.25317	22.4
367.22720	44.9
385.23807	40.1
403.24689	74.6
421.25754	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	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01876	1.9
55.05515	24.4
57.03440	4.2
57.07077	4.9
63.05107	1.4
65.01123	1.4
65.03954	3.1
67.05511	69.9
69.07074	23.9
70.18964	2.1
70.19361	4.4
71.05008	2.8
71.08645	1.7
79.05497	31.1
81.03407	2.4
81.07064	100.0
83.04984	6.6
83.08628	13.7
85.06556	5.5
91.05484	30.4
91.06011	2.8
91.06593	1.4
93.07052	26.0
95.04977	5.0
95.08614	47.7
97.06550	4.9
97.10206	4.1
99.08099	4.3
103.05480	1.8
105.07034	38.8
107.08601	20.4
109.06548	4.1
109.10161	20.4
111.08090	2.6
111.11810	1.5
117.07060	4.5
119.08594	29.1
121.06574	1.5
121.10152	26.5
123.08101	2.4
123.11716	27.4
125.09605	2.2
127.07607	1.5
129.07039	2.3
131.08618	7.3
133.10156	13.9
135.11668	7.2
137.09642	1.5
137.13287	5.2
142.07880	1.7
143.08530	3.0
145.10156	4.5
147.11691	45.0
149.09641	2.5
149.13382	3.4
151.11192	1.4
155.08601	2.1
156.09372	1.6
157.10179	6.1
159.11711	3.1
161.13332	3.8
163.11205	1.9
163.14832	2.2
165.12755	22.3
165.13896	1.5
169.10144	2.6
171.11673	2.2
173.13347	3.6
175.11211	1.6
175.14920	4.0
181.10118	2.0
183.13899	5.0
185.13350	1.9
193.12399	1.9
197.13319	2.6
211.14716	1.5
229.14467	4.2
245.22913	3.6
261.16599	1.5
261.22382	1.6
263.23624	7.2
267.15927	46.7
285.16971	4.2
389.27374	1.4
437.34399	1.7
455.35147	3.6
473.36462	2.6
490.61542	1.6
499.03668	1.3
529.38928	7.7
547.39935	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89043	0.1
57.88464	0.1
67.05472	0.1
69.03394	0.2
69.87434	0.5
70.15685	0.1
72.08130	0.1
73.48872	0.1
78.61874	0.1
79.05440	0.2
81.03399	0.2
81.07002	0.2
89.00138	0.2
91.05467	0.2
93.07041	0.2
95.08592	0.1
97.02869	0.4
104.94238	0.1
105.06995	0.3
107.04929	0.3
109.02858	0.1
119.04916	0.3
123.00704	0.3
127.03908	0.3
131.04897	0.1
132.05640	0.2
133.06447	0.3
134.07224	0.3
135.04462	0.2
137.02301	0.4
145.02867	0.1
145.10129	0.1
147.04376	0.2
148.74414	0.1
151.00281	0.6
152.01048	1.2
153.01834	0.3
153.05440	0.2
161.05975	1.3
165.01871	0.2
166.02614	0.1
168.05696	0.4
169.01271	0.3
170.02097	0.3
172.08995	0.1
182.07285	0.2
183.08104	0.6
185.05931	0.3
196.05202	0.2
197.05922	0.3
200.08362	0.1
210.06725	0.3
211.07495	1.0
213.05499	0.5
223.03825	0.1
224.04686	0.3
225.05434	0.2
227.06975	0.4
228.07803	0.4
238.06114	0.2
239.07002	2.2
240.07813	0.2
241.04939	1.2
243.10205	1.3
252.04160	0.4
253.04970	0.7
255.06618	0.8
256.04736	0.2
256.07318	3.1
269.04440	0.9
283.06079	0.2
284.06793	46.5
285.07199	0.8
299.09137	100.0
300.09494	1.7
329.06628	0.5
367.11890	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	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
55.01871	3.0
55.05513	21.6
57.03432	2.5
57.07071	5.3
65.03929	2.5
67.05511	67.8
69.03459	1.6
69.06719	2.1
69.07074	21.8
71.04993	3.2
71.08627	1.3
71.55649	1.4
79.05500	29.9
79.05956	2.0
81.03431	3.7
81.07063	100.0
82.07397	1.5
83.04991	4.0
83.08614	11.5
85.06557	4.8
89.06030	1.3
91.05491	26.9
93.07050	27.1
95.04977	4.8
95.08617	42.8
97.06557	6.2
97.10175	5.4
99.08092	4.4
105.07046	31.3
107.05013	1.4
107.07944	2.3
107.08601	17.2
109.06544	3.8
109.10168	16.4
111.08046	2.5
117.07014	3.1
119.08588	26.2
121.10152	22.5
123.08101	4.5
123.11712	22.9
125.09654	2.1
127.07581	1.9
129.07091	2.0
131.08574	6.0
133.08662	1.7
133.10141	10.6
135.11699	7.0
137.13240	2.8
139.11177	1.5
142.07791	1.4
143.08611	1.8
145.10156	4.3
147.11699	45.1
149.13313	3.8
157.10188	2.3
159.11679	1.7
161.13319	3.6
163.11154	1.6
163.14870	2.7
165.12802	21.5
173.13336	1.7
175.14879	3.9
179.08600	1.2
183.13812	3.0
187.14841	2.4
193.12341	2.4
205.86050	1.2
221.13434	1.3
229.14398	3.6
245.22728	2.8
263.23682	6.3
267.15933	40.3
285.17047	5.6
437.34644	2.2
455.35101	2.4
473.36523	2.1
529.38684	9.1
543.32489	1.3
547.39966	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01865	5.4
55.05269	2.0
55.05518	34.3
57.03448	9.3
57.07067	1.9
65.03930	3.1
67.05508	70.9
69.03431	3.7
69.06783	1.6
69.07079	19.0
69.55947	5.4
69.56373	5.0
71.04990	4.7
71.08617	3.1
79.05497	48.2
81.03426	23.3
81.07063	62.4
83.04982	5.9
83.08636	20.9
85.06517	3.8
91.05489	38.1
93.07053	39.1
95.04957	20.1
95.08608	42.1
97.06531	6.9
97.10182	20.2
97.80214	1.6
105.07037	38.0
107.04964	8.0
107.08600	33.4
109.06529	5.8
109.10162	25.0
111.08108	5.8
115.05465	3.1
117.07003	15.2
119.08594	27.4
121.06506	7.2
121.10151	21.1
123.08050	4.9
123.11727	10.9
125.09619	16.0
129.07004	12.9
131.08580	24.6
133.06511	3.2
133.10147	21.8
135.08072	7.1
135.11687	10.2
137.09634	4.3
139.11192	1.7
141.06995	3.9
143.08554	8.2
145.06462	3.2
145.10129	20.5
147.08072	4.4
147.11702	14.3
149.09616	4.4
149.13283	7.4
151.11253	3.9
155.08586	5.0
157.10135	8.2
159.08101	2.1
159.11720	12.8
161.09668	3.7
161.13274	7.4
163.14851	3.5
169.10109	7.6
171.11694	7.7
173.09656	3.5
173.13284	9.1
175.11224	2.9
175.14861	5.5
175.97237	1.6
177.12631	3.0
181.10208	2.4
183.11757	4.9
185.13301	4.5
187.11189	1.6
187.14830	5.9
189.11281	9.3
189.16364	2.1
193.12219	8.1
197.13283	3.6
199.14941	3.8
201.16476	2.6
211.14903	3.0
213.16583	2.3
227.12773	15.4
233.15369	2.1
243.15947	1.8
243.21005	2.6
247.17082	2.4
249.14963	1.6
259.20724	1.7
261.22147	10.9
267.15945	21.7
275.20306	1.8
277.21738	2.2
279.23181	3.7
283.24121	2.3
285.22253	5.2
287.19974	2.1
299.58331	1.6
301.25204	18.8
303.23141	2.8
311.20557	1.7
317.24985	2.7
335.25784	15.2
343.22626	2.1
359.25778	2.2
370.06863	1.7
403.25009	2.1
417.26520	2.9
435.32614	9.1
453.33737	15.2
461.29083	2.0
471.34775	13.0
509.36502	2.9
527.37354	59.4
528.37329	2.3
545.38367	100.0
546.38788	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	547.145
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.66068	0.1
57.73825	0.1
68.99753	0.1
71.12402	0.2
73.95690	0.1
79.05476	0.2
85.02867	0.2
95.08607	0.1
97.02906	0.1
105.06997	0.2
116.07271	0.1
118.04178	0.1
119.04924	0.1
121.06472	0.1
124.01552	0.1
127.03886	0.2
132.05702	0.6
133.06432	0.3
135.04381	0.3
137.05972	0.4
139.03865	0.3
147.04340	0.1
148.05168	0.1
150.03375	0.1
152.01109	0.1
153.06932	0.1
159.66875	0.1
163.03969	0.2
166.02602	0.4
167.03377	0.3
168.05659	0.3
169.01305	0.2
169.06454	0.1
171.07954	0.1
175.03951	0.1
176.04689	0.2
181.06383	0.1
182.07249	0.6
183.08092	1.2
184.03664	1.8
185.05959	0.2
190.89603	0.1
196.05226	0.5
197.05933	0.4
200.08316	0.3
208.05226	0.1
210.06705	0.7
211.07527	1.6
213.05467	0.5
224.04668	0.3
225.05463	0.3
225.34224	0.1
227.07033	1.0
228.07748	1.0
239.07024	2.9
240.07794	0.2
241.04984	0.9
243.10159	3.9
252.04135	0.2
253.04866	0.1
255.06552	0.8
256.07309	5.8
267.06592	0.9
268.07355	0.1
269.04398	0.2
271.09775	0.2
283.06027	1.4
284.06790	14.8
285.07153	0.2
299.09131	100.0
300.09506	1.3
367.11707	0.7
385.12744	0.1
566.98083	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72417	1.7
52.30437	1.6
53.03941	5.6
55.01860	5.6
55.05267	2.3
55.05514	33.8
57.03445	8.2
57.07077	3.8
63.53454	1.8
65.03598	1.7
65.03931	4.1
67.05509	72.0
69.03425	4.2
69.07070	18.4
69.81164	3.5
69.81553	5.2
71.04996	4.3
79.05499	43.8
80.65263	1.7
81.03417	22.3
81.07059	63.6
83.04977	6.3
83.08629	18.8
85.06548	3.5
91.04957	3.4
91.05482	32.0
93.07049	44.5
95.04974	18.7
95.08609	43.8
97.06529	5.7
97.10178	23.4
98.21413	2.0
105.04558	2.3
105.07028	31.2
107.04976	8.6
107.08605	27.0
109.06525	7.2
109.10164	25.3
109.10841	2.9
111.08095	5.0
117.07019	9.9
119.08582	26.2
121.06531	6.4
121.10155	17.4
123.08119	3.2
123.11749	9.1
125.09634	17.0
128.06229	2.5
129.07016	11.4
131.08565	23.1
133.06483	2.5
133.10147	19.7
135.08075	4.6
135.11710	16.8
137.09624	5.1
137.13293	2.2
142.07785	2.6
143.08585	8.7
145.06512	2.1
145.10124	19.3
147.08041	3.4
147.11696	12.1
149.09653	4.2
149.13261	10.6
151.11240	2.2
155.08572	3.9
157.10191	8.9
159.08049	2.8
159.11693	15.1
161.09596	3.0
161.13260	10.4
163.11217	5.5
163.14861	2.8
165.12729	1.9
169.10162	4.4
171.11685	6.1
173.09628	2.3
173.13263	9.3
175.11235	4.6
175.14886	3.6
177.13063	1.8
183.11729	4.2
185.13300	7.4
187.11162	3.0
187.14848	4.9
189.11327	10.1
189.12799	2.6
189.16330	3.2
193.12326	5.7
197.13319	4.6
199.14847	2.9
201.16426	4.8
209.13309	2.1
211.14859	2.4
213.12827	1.9
227.12776	18.9
243.20995	3.7
246.17873	1.8
247.17198	2.3
249.14954	2.4
261.22119	13.1
267.15939	22.0
279.23117	2.4
283.24432	2.4
285.22125	5.4
295.22812	2.5
299.23764	4.1
301.21997	2.4
301.25192	16.7
317.24838	4.4
335.25790	17.7
359.25586	2.2
417.31628	2.0
421.25943	3.0
425.34122	2.4
435.27377	2.3
435.32910	8.6
453.33759	12.7
471.34702	11.7
472.29367	1.9
501.35828	2.3
509.36496	3.4
527.37341	60.4
545.38403	100.0
546.38715	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75239	1.5
52.59875	1.4
53.03939	5.6
55.01868	6.3
55.05515	31.8
55.27598	1.4
56.38762	1.5
57.03444	7.6
57.07072	4.1
61.66167	1.6
65.03919	2.0
67.05511	71.1
69.03434	6.8
69.07073	18.4
69.37527	1.4
70.95905	3.5
71.05016	3.0
79.05056	3.3
79.05501	44.2
80.29794	1.4
81.03425	24.2
81.07063	58.0
83.04996	6.7
83.08627	23.4
85.06545	4.3
89.06027	1.6
89.17509	1.6
91.05489	35.0
93.07053	47.8
95.04974	18.9
95.08620	44.1
97.06557	5.7
97.10175	21.5
99.08092	2.1
105.07037	37.8
107.04986	7.7
107.08605	31.9
109.06544	5.7
109.10167	25.9
111.04440	1.5
111.08110	5.6
112.63366	1.5
115.05524	2.4
117.07018	13.8
119.08592	30.5
121.06550	7.5
121.10154	18.2
123.08082	4.9
123.11702	8.8
125.09645	17.5
128.06232	2.0
129.07040	9.1
131.08578	28.4
133.06534	2.9
133.10155	22.8
135.08073	7.0
135.11717	12.3
137.09648	5.2
137.13255	1.9
141.06964	3.1
143.08571	11.5
145.10139	18.6
147.08075	4.9
147.11705	12.7
149.09674	4.5
149.13275	5.5
153.09116	2.6
155.08600	6.3
157.10086	8.3
159.08150	1.8
159.11717	16.4
161.09726	2.3
161.13289	8.0
163.11215	4.9
163.14865	4.1
164.54749	1.6
165.12834	1.9
169.10193	4.1
171.10437	1.6
171.11664	8.6
173.09755	1.9
173.11855	3.1
173.13214	11.3
175.11159	3.5
175.14807	3.4
177.12820	3.1
183.11732	4.4
185.13339	4.3
187.14821	5.6
189.11244	11.9
189.16470	2.5
193.12251	7.1
197.13348	2.8
199.14832	4.8
201.16515	3.1
209.13353	1.8
211.13211	2.3
211.15060	1.8
213.12849	2.1
213.16440	2.6
223.88715	1.5
227.12839	17.3
231.17484	2.1
239.18115	2.1
243.21025	2.6
259.20779	2.4
260.46307	2.0
261.22128	11.9
267.15952	16.4
277.21823	2.4
283.24216	2.4
285.22226	5.1
291.19675	1.9
299.23648	2.2
301.25217	18.2
303.23291	2.5
317.24680	1.9
335.25797	17.0
359.25638	2.1
417.31540	3.6
421.25714	3.8
435.27524	3.6
435.32330	8.8
453.33704	13.5
471.34616	12.7
489.13101	1.8
491.34711	2.2
496.97116	1.7
501.35220	2.1
509.36328	2.7
527.37384	55.9
545.38403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3451
Annotation	Lys Ile Glu Arg
Peak:m/z	Relative Intensity
53.15440	0.4
55.05500	1.7
55.57271	0.4
55.90592	0.4
57.03429	1.0
67.05509	4.2
67.33011	0.4
69.07072	1.3
73.33307	0.5
79.05492	2.9
81.03431	2.0
81.07066	3.7
83.05000	0.6
83.08617	0.8
90.40376	0.4
91.05477	2.1
91.47448	0.4
93.07048	3.4
95.04981	1.1
95.08622	2.8
97.10194	0.9
98.21561	1.2
100.99665	0.4
105.07052	2.1
107.04980	0.8
107.08593	1.7
109.10152	0.9
117.07024	0.8
119.08570	1.9
119.51388	0.4
121.06538	0.4
121.10159	1.3
123.11697	0.6
125.09638	0.6
131.08531	1.2
132.45830	0.4
133.10139	1.2
134.62704	0.4
135.11729	1.2
145.10144	0.9
157.10156	0.8
159.07979	0.5
161.13232	0.5
163.11211	0.9
173.13258	0.6
179.14319	0.6
189.11467	0.5
193.12364	0.5
196.67409	0.5
210.06085	0.5
227.12782	1.3
267.15967	1.7
277.21634	0.6
287.81116	0.4
335.25967	0.6
394.20749	0.5
435.32440	0.5
453.33566	0.7
471.34549	0.7
527.37341	2.4
545.34332	100.0
546.35156	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	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01870	5.2
55.05262	2.1
55.05515	30.5
56.86633	1.6
57.03437	8.6
57.07072	4.0
59.04974	1.4
65.03941	3.8
67.05511	68.7
69.03429	2.7
69.07069	16.7
69.53891	9.6
71.05006	4.5
71.08654	2.1
79.05060	2.8
79.05500	41.5
81.03429	18.3
81.07064	69.6
83.04986	5.2
83.08627	18.1
85.06549	2.7
91.05491	34.6
93.07050	49.8
94.15276	1.3
95.04980	20.0
95.08616	52.8
97.06536	5.5
97.10187	17.5
105.07039	33.5
107.04964	7.5
107.08598	33.1
107.09296	2.1
109.06537	5.9
109.10162	25.4
111.08096	4.2
117.07019	13.3
119.08589	25.6
121.06535	8.8
121.10159	15.9
123.08104	3.4
123.11734	10.7
125.09664	13.9
128.06183	1.9
129.07021	9.3
131.08572	20.8
133.06500	2.7
133.10146	19.5
135.08102	6.8
135.11705	19.7
137.09621	1.9
137.13271	2.4
141.06993	1.8
143.08566	8.5
145.06482	2.6
145.10143	22.5
147.11673	13.0
149.09618	3.6
149.13284	6.0
151.11224	2.6
155.08600	2.9
157.10159	8.7
159.08102	2.6
159.11684	13.6
161.09694	2.8
161.13301	6.1
163.11192	15.6
163.14833	2.4
169.10194	4.0
171.10339	1.6
171.11713	5.9
173.13255	10.2
175.11282	3.2
175.14890	5.5
177.12820	1.5
181.10152	2.0
181.12279	2.2
183.11745	3.1
185.13322	4.0
187.11279	1.8
187.14854	5.3
189.11194	8.0
189.16388	1.8
193.12260	9.9
195.11696	2.0
199.14839	3.4
209.13239	1.7
211.14908	2.7
213.23265	1.6
221.15459	1.8
227.12805	35.1
229.15927	1.4
233.15469	2.3
243.21196	2.9
247.16956	2.1
249.18654	1.8
261.22141	11.8
263.23712	2.0
267.15921	18.7
277.21609	2.1
279.23135	2.3
285.22064	3.5
301.22061	2.9
301.25253	15.2
303.23175	1.7
317.24911	2.4
335.25784	14.8
357.24005	1.6
359.25674	3.3
421.25891	4.0
425.09085	1.6
435.27322	2.6
435.32449	8.2
453.33707	11.4
471.34793	9.1
478.89084	1.8
509.36703	1.9
527.37402	47.4
545.38379	100.0
560.26605	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	545.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.5
53.94547	4.2
55.01864	16.2
55.05514	30.8
56.31491	3.9
57.03440	50.3
61.02927	31.0
65.03928	9.1
67.05180	6.2
67.05511	79.0
69.03430	48.4
69.06730	7.7
69.07070	86.7
70.06593	21.2
71.05000	49.4
71.55868	5.8
72.08144	9.8
73.02920	30.4
75.07368	3.8
79.05498	88.8
81.03425	52.2
81.06586	6.1
81.07063	100.0
83.04980	27.3
83.08628	11.0
84.08170	4.9
85.02911	56.4
85.06536	22.7
86.09695	5.5
91.03958	17.3
91.05483	65.9
93.07056	77.0
95.04972	40.8
95.08607	46.0
97.02900	53.7
97.06535	77.3
97.10181	7.7
99.04469	11.3
99.08099	62.7
101.02365	8.9
103.03930	9.7
103.05470	4.5
105.07042	51.7
107.04958	33.7
107.08601	58.5
109.02850	18.1
109.06529	41.0
109.10136	23.8
111.04428	7.9
111.08067	18.4
113.05978	8.1
115.07567	92.9
117.07050	25.1
119.04923	8.1
119.08578	29.8
121.06487	21.3
121.10155	32.8
123.08051	15.3
123.11705	7.9
125.05992	7.6
125.09637	5.4
127.03941	28.5
127.07584	25.0
128.06189	8.0
129.05508	8.6
129.06979	17.9
131.08572	33.9
133.06473	11.7
133.10132	37.4
135.04398	7.0
135.08058	27.1
135.11662	24.3
137.05966	10.6
137.09593	5.0
142.07797	4.8
143.08534	15.2
145.02792	6.5
145.04904	9.0
145.06512	7.1
145.10136	34.0
147.04387	16.9
147.08064	13.1
147.11668	15.5
149.08542	3.9
149.09630	19.2
149.13246	15.4
151.11223	11.1
153.05492	17.7
153.08977	4.5
155.08490	5.1
157.10132	14.6
159.08028	12.6
159.11633	10.8
161.09589	16.5
161.13290	9.9
163.03925	16.3
163.11160	11.9
167.07036	5.8
169.10085	10.8
171.11739	7.2
173.09612	12.5
173.13324	12.7
175.11195	15.0
175.14825	5.5
177.12735	7.0
181.09979	4.6
181.12311	5.4
183.06407	4.9
183.11758	6.4
185.13264	6.2
187.11241	8.9
189.09087	5.1
191.10570	8.2
191.14383	4.7
195.13750	5.8
199.11174	8.4
201.07533	4.9
201.12741	9.0
209.00755	4.3
217.15903	6.7
219.13831	6.9
221.15335	9.0
227.18195	4.6
233.15349	17.1
245.18971	5.8
255.17699	7.8
265.14380	8.6
269.17368	12.3
273.18518	65.7
279.23260	5.7
283.15408	6.4
289.17758	5.2
291.19547	56.0
297.03867	6.9
301.16293	5.5
307.18958	13.6
347.22052	22.5
349.30252	4.7
365.23270	78.6
383.11096	21.8
383.24255	51.2
527.28870	6.3
545.16486	14.7
545.28973	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	10.7
55.05507	19.4
57.03433	22.9
61.02925	6.7
62.56204	5.6
67.05512	62.4
69.03432	15.6
69.07079	20.7
70.04086	67.4
70.06585	11.6
71.04428	8.9
71.05016	9.0
79.05489	35.2
81.03432	12.3
81.07059	39.1
83.05008	6.3
83.08607	9.9
85.02905	17.9
85.06549	24.9
87.00848	7.6
91.05484	29.3
93.07045	26.1
95.04968	62.4
95.08627	18.5
97.02901	18.7
97.06567	13.7
97.10209	9.2
103.05453	5.8
105.07048	24.3
107.04973	12.7
107.08611	19.7
109.02896	14.5
109.06540	56.2
109.10220	9.3
113.06015	55.9
117.07019	15.4
119.08588	11.7
119.75188	5.3
120.08078	5.8
121.10133	13.4
123.08075	5.2
125.09687	6.4
127.03969	11.0
131.08569	19.1
133.06476	6.7
133.10152	16.1
135.08057	47.7
135.11691	13.1
139.10808	5.2
141.07079	6.4
145.10136	19.4
147.04387	8.1
147.08076	8.7
147.11717	9.6
153.01794	7.6
159.03033	7.0
161.09607	9.7
165.09026	7.3
177.12807	8.1
183.11789	6.0
201.82397	5.4
217.15930	12.0
229.05017	6.9
253.87901	6.3
257.04474	7.7
273.18536	36.2
286.04709	16.0
287.05246	5.6
291.19559	100.0
297.03717	5.1
305.86932	5.4
347.22079	14.4
365.10468	6.5
365.23309	59.1
383.11340	43.8
535.29608	6.4
545.36108	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	544.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.8
57.07066	0.6
60.98705	0.3
65.03923	0.4
67.05511	10.6
68.05032	0.9
69.03443	1.3
69.07082	3.0
70.06599	100.0
70.52153	0.7
70.52484	0.8
71.04999	0.8
79.05497	1.5
81.03403	0.5
81.07066	2.8
82.06573	0.6
83.04993	1.3
83.08636	1.8
84.08150	1.6
85.02908	0.6
85.06568	0.9
91.05502	1.7
93.07067	1.4
94.06594	2.5
95.04980	14.3
95.08611	1.0
97.02908	1.2
97.06550	1.1
99.04480	0.5
105.07038	2.2
107.08607	4.2
109.02916	0.7
109.06540	1.5
109.10177	3.7
110.06059	0.7
112.07620	22.1
113.06042	0.7
114.05571	1.4
115.05486	0.4
117.07065	0.7
119.08589	1.2
121.10145	2.6
123.08065	1.0
123.11729	1.1
125.09669	0.8
127.03944	1.0
130.08647	1.8
131.08612	2.2
133.10149	3.9
135.08090	1.6
136.06207	0.8
136.07603	1.1
139.07712	0.4
145.10167	0.9
146.46210	0.3
147.11749	0.5
149.13313	1.8
151.11244	1.1
153.09149	1.3
154.08696	1.2
158.10922	1.0
163.14880	0.8
165.12839	1.2
167.14398	1.4
172.09752	1.5
173.13293	4.8
173.14656	0.4
178.08702	0.9
191.14278	2.3
209.08728	0.4
209.15405	4.5
214.10800	0.5
222.58105	0.4
232.11824	0.6
238.10756	2.6
256.11826	6.5
274.12900	10.2
274.15643	0.6
292.13947	7.7
300.10843	3.8
318.11893	6.4
336.12875	11.9
402.26401	0.4
500.28348	2.5
504.25760	0.5
544.27777	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
55.74249	0.4
65.03943	0.7
67.05508	10.6
68.05023	0.6
69.03442	1.0
69.07074	2.9
70.06598	100.0
70.52455	0.9
70.52857	0.8
71.04999	0.8
71.06938	0.6
79.05507	1.5
81.03472	0.6
81.07055	2.7
83.05003	1.6
83.08635	1.3
84.08174	1.5
85.02941	0.9
85.06549	0.5
87.04554	0.5
91.05496	2.0
93.07050	1.3
94.06561	3.1
95.04977	12.7
95.08622	1.2
97.02892	1.4
97.06550	0.7
99.04472	0.6
105.07031	2.2
107.08605	3.7
109.02885	0.9
109.06536	1.7
109.10162	3.7
110.06045	0.8
112.07613	22.0
113.06019	0.9
117.07027	0.5
119.08611	1.7
121.10169	2.6
123.08095	0.9
123.11723	0.9
125.09615	0.7
127.03922	1.1
130.08681	2.0
131.08601	1.4
133.10155	3.5
135.08138	1.2
136.06255	1.0
136.07622	1.0
145.10182	0.8
147.11656	0.6
149.13312	0.7
151.11246	1.5
153.09164	1.3
154.08679	1.3
158.10954	0.9
165.12772	0.6
167.14345	1.6
172.09744	1.8
173.13293	4.5
174.07759	0.6
177.05345	0.4
178.08710	1.2
190.08711	0.6
191.14336	2.6
209.15396	4.2
214.10873	1.4
216.08894	0.6
220.09894	0.6
225.02509	0.4
238.10774	2.7
239.09386	0.5
251.37689	0.5
256.11819	6.6
273.02859	0.5
274.12878	12.8
292.13895	7.7
300.10791	2.7
315.32745	0.5
318.11844	7.0
319.45703	0.5
336.12909	11.7
382.22452	0.6
459.99759	0.5
500.28302	2.8
532.49585	0.6
544.27374	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	544.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05513	0.7
67.05487	0.9
69.03433	1.4
69.34432	0.6
70.06596	4.3
70.90369	0.8
70.90709	1.3
72.08163	1.4
75.04478	4.1
79.05490	3.6
81.03416	1.7
81.07062	1.1
82.06566	0.7
84.08155	2.9
85.02896	2.0
86.09713	0.9
86.87132	0.6
87.00847	1.1
91.05497	1.8
93.07035	1.0
95.04944	1.0
97.02896	2.9
98.06068	1.7
98.09738	0.6
99.04436	0.7
99.88462	0.6
103.05471	1.4
105.07040	21.2
109.10175	0.9
116.07082	0.6
117.05802	1.6
119.08590	2.3
119.09882	0.5
121.10141	0.6
123.08112	3.2
124.07583	0.6
126.39729	0.7
127.03925	2.0
128.07091	4.5
129.07011	0.7
130.06540	1.2
130.08623	3.4
131.06320	0.9
131.07317	17.6
132.08090	15.1
133.07588	1.4
134.09662	1.0
143.07225	0.7
144.08133	1.8
145.08890	4.6
146.09654	100.0
147.10001	1.3
153.05482	0.7
158.09653	9.2
159.10451	1.1
160.07605	5.4
160.11230	37.5
161.08380	0.8
162.09233	1.5
162.12698	0.9
163.03889	0.7
172.07587	2.1
175.09944	1.0
176.07146	1.0
185.12997	0.7
186.09222	1.0
187.09988	0.9
188.10710	4.9
190.12302	4.2
191.09523	0.7
192.10197	20.3
192.13834	3.6
206.11794	1.7
218.11778	5.7
220.13293	2.1
233.89369	0.7
236.12909	3.8
246.11250	2.1
248.12935	0.8
250.14406	13.0
256.42844	0.6
264.12317	15.9
276.09189	0.5
278.13879	79.3
279.14133	1.5
296.14938	10.3
304.27002	0.6
332.13873	0.6
366.78015	0.7
386.13635	0.6
386.19922	0.6
544.34308	1.1
574.46246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01870	0.5
55.05513	0.6
57.03437	0.3
57.07067	0.3
61.02918	0.3
65.85494	0.2
69.03433	1.5
70.04079	100.0
71.55601	0.3
73.02916	0.5
73.32916	0.2
74.09206	0.2
75.75053	0.2
81.03419	1.6
81.07051	0.3
83.08652	0.3
85.02905	3.9
87.00833	1.7
91.05448	0.2
93.07066	0.2
95.08630	0.3
97.02889	2.0
98.22844	0.2
99.04467	0.5
99.08101	1.3
105.01860	1.3
109.02885	1.9
115.04000	0.3
117.01865	0.2
127.03922	2.3
145.04955	0.9
159.02922	0.7
183.10161	0.3
225.11328	0.7
227.08484	0.6
231.05055	0.5
297.74921	0.2
396.87650	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	544.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85679	0.3
53.03958	0.6
55.01869	0.5
59.05015	0.7
61.82777	0.4
69.03434	0.8
70.06599	0.9
71.00372	0.7
71.05032	0.4
75.04486	4.5
75.07126	0.4
78.14808	0.4
79.05500	2.3
81.03420	0.8
83.26469	0.4
83.38779	0.4
85.02899	1.3
87.00813	0.5
95.04985	0.6
97.02892	1.2
98.06056	1.6
103.05481	1.6
105.01844	0.6
105.07040	20.3
109.02885	1.0
113.60711	0.4
115.59088	0.4
117.05768	1.2
119.08593	1.5
123.08080	3.4
127.03894	0.9
129.06926	0.5
130.06523	1.0
130.08643	2.8
131.07318	16.9
132.08104	14.6
132.47881	0.4
133.07629	1.5
134.09708	0.6
143.07353	0.5
144.08118	3.0
145.08867	5.7
146.09657	100.0
147.09982	1.5
148.11229	0.8
158.09666	10.7
159.10431	0.9
160.07611	5.4
160.11230	40.7
161.08444	0.6
161.11551	0.4
162.09171	0.9
162.12744	0.5
172.07610	1.0
174.09103	0.7
175.09918	0.7
176.07156	0.5
176.10735	0.5
186.09097	0.8
187.09885	1.1
188.10727	4.6
190.12254	4.1
191.09450	0.8
192.10204	18.4
192.13841	3.0
206.11737	1.8
218.11789	5.8
220.13304	2.6
236.12836	4.2
246.11327	2.5
248.12823	1.7
250.14413	11.4
264.12317	16.8
264.15140	0.8
278.13892	73.8
279.14227	1.3
295.15750	0.4
296.14957	14.5
326.78638	0.4
512.17322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01868	2.4
55.05507	0.9
57.03453	1.4
57.07081	1.1
59.05001	0.2
61.02919	1.3
61.67037	0.2
66.92426	0.2
68.99788	0.8
69.03433	5.3
69.03807	0.3
69.07058	0.6
69.73575	1.4
70.04080	100.0
71.01353	0.2
71.04995	1.2
73.02928	1.6
73.81113	0.2
78.64808	0.2
81.03420	6.9
83.04983	0.2
83.08601	1.3
85.02910	18.3
87.00833	7.9
87.04464	0.3
88.27792	0.2
89.30128	0.2
91.03947	0.4
91.05423	0.2
95.08645	0.3
97.02898	9.1
99.04464	3.1
99.08101	3.1
105.01875	7.6
109.02134	0.4
109.02883	8.3
115.03922	1.8
117.01875	1.2
119.86160	0.2
125.02395	0.7
127.03922	16.2
129.01859	0.9
133.05009	0.3
145.04970	8.9
147.02904	0.9
155.02644	0.2
159.02902	5.3
161.04507	0.9
177.03957	0.4
183.10199	1.1
189.03928	0.3
201.04016	0.2
201.05920	0.2
209.07420	0.4
211.08949	1.0
213.03993	0.9
219.05119	0.5
225.11198	1.1
227.08359	2.7
229.03546	0.2
231.05009	4.7
243.12349	0.6
245.32370	0.2
247.04623	0.8
249.06181	0.7
251.07074	0.2
265.05835	0.3
294.21756	0.2
311.11197	0.4
311.61581	0.2
329.12436	0.8
426.57114	0.2
443.55139	0.2
544.17621	0.3
549.33447	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	544.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.4
53.03964	0.4
55.05506	0.5
57.03439	0.6
60.89861	0.3
63.02390	0.5
66.77026	0.3
67.05512	1.0
69.03442	1.8
69.07061	0.7
69.50776	1.9
70.06599	6.9
71.04995	0.5
72.08160	1.5
79.05500	0.8
81.03431	4.2
81.07068	0.8
82.06583	0.8
84.04490	0.4
84.08149	1.7
84.61070	0.3
85.02913	2.2
85.06561	0.4
86.09703	2.2
89.03918	6.6
89.04426	0.6
91.05474	1.1
93.07047	0.9
95.04972	2.4
95.08601	1.0
97.02913	2.6
97.06545	0.4
99.04443	0.8
105.07056	0.6
107.04981	0.4
107.08599	0.8
109.02909	1.9
109.06507	0.5
109.10158	0.5
109.22725	0.3
112.07633	0.6
117.03386	17.4
119.04959	0.5
119.08661	0.4
121.10153	0.8
124.07550	0.4
124.98917	0.3
127.03963	0.9
128.07085	5.8
132.04457	8.2
133.10147	0.4
134.03638	1.4
135.04417	2.0
136.06273	0.4
136.07555	0.6
140.71825	0.4
145.02852	44.3
146.03217	0.5
147.04407	0.7
149.05997	5.8
162.05469	0.4
163.03922	1.4
177.05481	100.0
178.04997	62.1
179.05438	0.6
185.16464	0.5
186.05469	1.0
188.09081	0.5
195.06630	0.8
206.04495	87.0
207.04788	1.0
209.15404	0.4
227.39418	0.3
274.12820	0.4
321.09720	6.6
332.13379	0.8
339.10748	3.9
368.09671	1.0
441.16153	0.4
544.31018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49366	0.1
53.03947	0.4
55.01872	0.5
55.05510	0.3
57.03447	0.4
57.07079	0.4
59.04990	0.2
61.02927	0.3
64.12466	0.1
66.37420	0.1
69.03434	1.4
70.04082	100.0
70.17775	0.6
71.04980	0.2
73.02917	0.4
81.03427	1.9
83.08624	0.3
85.02911	3.6
87.00838	1.8
91.03973	0.2
91.05467	0.2
92.19630	0.1
97.02909	1.6
99.04457	0.7
99.08116	1.1
105.01871	1.4
105.09339	0.1
109.02884	2.2
113.17046	0.1
115.03981	0.4
117.01877	0.2
127.03924	2.6
127.04794	0.2
133.10120	0.2
137.05940	0.2
145.04971	1.2
157.95731	0.2
159.02931	0.8
161.04478	0.2
183.10223	0.3
211.08907	0.2
213.04019	0.2
225.11339	0.6
227.08409	0.6
231.05084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01862	2.7
55.05263	2.2
55.05505	13.1
55.73038	2.0
56.86701	2.3
57.03432	3.7
57.07079	97.9
58.04234	10.5
59.04713	2.6
59.05005	38.7
60.04520	2.6
65.03949	2.8
67.05220	2.2
67.05504	22.2
68.06289	2.4
69.07073	14.4
69.91743	3.2
69.92148	8.2
70.06579	7.1
71.04984	4.1
71.08635	100.0
72.05787	16.6
73.02921	10.3
73.06559	19.0
79.05502	14.6
81.07068	28.1
82.07826	4.4
83.04984	6.6
83.08631	10.4
85.10187	96.2
87.04473	22.5
88.05261	4.1
89.06036	30.8
89.14620	1.8
90.01918	63.9
91.05475	12.5
93.07041	13.3
95.04971	3.5
95.08602	17.7
96.09348	2.6
97.06519	6.4
97.10159	7.0
99.11752	11.2
103.07607	18.2
105.07058	14.6
107.05022	2.1
107.08602	11.4
109.06497	2.3
109.10147	7.4
116.08374	5.1
117.07030	4.4
117.09138	9.9
119.08625	9.7
119.09319	2.3
121.10133	5.8
129.06927	2.1
131.07024	2.7
131.08582	5.1
133.08580	13.5
133.10149	6.2
135.11639	3.9
138.14035	7.7
141.16376	8.9
143.08575	2.0
145.10117	5.2
147.10222	3.9
147.11685	4.6
149.13313	2.3
159.11679	5.1
161.11745	3.1
165.11259	2.7
169.15897	10.5
171.11731	2.2
173.13252	2.4
175.01563	3.8
177.11206	7.0
178.07004	8.8
183.11685	2.7
183.17470	2.3
198.19778	5.3
199.20607	10.5
208.15567	2.6
209.13702	1.7
219.17479	2.4
222.09750	15.7
222.17010	4.8
223.15407	5.0
224.14870	1.9
227.04776	2.0
227.82016	1.7
238.16460	2.2
243.23190	3.9
252.18018	3.7
253.16447	5.0
266.12381	3.1
268.17529	2.0
275.20016	13.2
299.23535	2.7
305.23270	2.4
313.12112	3.6
328.16034	7.6
392.33698	15.8
399.00961	1.8
452.35535	2.2
469.52435	2.0
529.97247	2.0
543.18823	3.8
543.36963	17.9
543.48590	2.7
569.11414	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
53.03946	4.7
55.01862	3.9
55.05518	14.7
57.03438	1.9
57.07077	2.1
64.06857	1.4
65.03938	3.3
67.05508	36.9
69.03421	2.0
69.07066	12.3
70.53065	2.0
70.53435	2.0
71.04977	3.2
79.05499	45.5
81.03418	3.0
81.07063	35.3
83.04977	3.9
83.08633	10.3
85.98685	1.1
89.06003	1.1
91.05487	25.5
93.07052	56.3
95.04974	8.1
95.08613	44.7
95.09230	1.4
97.02908	3.5
97.06530	3.8
97.10176	3.0
99.04471	3.1
103.05493	1.5
105.04526	1.5
105.07042	19.7
107.04937	8.5
107.08603	36.2
109.06541	3.1
109.10161	8.4
111.08104	1.6
117.07017	13.5
119.08603	16.6
121.06534	5.5
121.10149	19.8
121.11020	1.1
123.08045	1.1
123.11712	2.3
125.05973	2.1
125.09615	1.1
129.07013	3.0
130.07796	2.3
131.08577	7.9
133.10156	7.7
135.08057	2.0
135.11708	47.2
137.13286	1.2
139.07530	3.0
141.07079	1.1
143.08546	3.2
145.10129	29.8
147.11732	3.3
148.29213	1.0
149.13307	3.5
155.08598	1.3
157.10092	1.9
159.11641	5.1
161.13275	2.9
163.11194	51.2
173.09602	1.2
173.13290	2.6
181.12244	10.9
183.11714	1.2
209.11783	1.6
223.14627	0.9
227.12799	100.0
231.92471	1.0
243.21292	1.0
261.22141	6.8
317.24802	3.3
396.74298	1.2
451.32159	1.5
509.79141	1.3
525.35889	2.2
536.84979	1.1
543.36847	65.1
544.37512	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01874	3.6
55.05517	15.8
57.03433	3.1
57.07080	1.7
65.03941	1.9
67.05507	43.7
69.03421	2.2
69.07079	11.0
70.13411	3.6
71.04993	2.6
71.08630	1.2
77.03904	1.2
79.05498	47.0
81.03432	3.6
81.07063	39.2
83.04986	3.6
83.08617	8.7
85.06547	1.6
85.10146	1.1
89.06015	1.8
91.05486	24.8
93.07050	61.2
95.04971	9.7
95.08613	43.1
95.09242	1.6
97.02905	4.1
97.06560	4.8
97.10165	2.4
98.21446	1.2
99.04464	2.9
99.08097	1.2
100.23415	0.9
105.04509	1.5
105.07034	19.1
107.04969	8.7
107.08602	41.6
109.06521	2.7
109.10152	8.8
111.04468	1.6
111.08124	1.2
113.06021	1.0
115.05477	1.7
116.35541	0.8
117.07024	16.0
118.72691	1.1
119.08581	17.5
121.06502	5.7
121.10148	23.2
123.08095	1.3
123.11723	3.0
125.06010	2.0
125.09601	2.3
128.06229	1.3
129.07021	2.5
130.07811	3.1
131.08575	9.6
133.08588	1.4
133.10136	10.1
135.08076	2.1
135.11705	45.2
139.07553	2.1
143.08559	3.8
144.06581	2.6
145.10127	29.5
146.89662	1.1
147.11720	3.7
149.09705	1.1
149.13266	3.3
153.12778	1.4
155.08543	1.6
159.11696	4.0
161.13295	3.2
163.11195	53.0
163.14883	1.4
169.10191	1.4
171.11705	2.0
172.75076	1.0
173.09636	1.3
173.13292	3.8
181.12253	12.8
183.11717	1.3
185.13362	1.2
187.14874	1.2
209.11702	2.4
227.12790	100.0
243.21196	1.7
261.22192	5.4
288.22018	1.1
317.24911	1.8
433.31247	1.9
451.32471	1.7
469.33099	2.4
503.92569	1.1
525.35785	3.9
543.36853	65.7
544.38458	1.6
558.25262	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	3.0
57.07078	88.3
59.05003	19.3
59.85855	1.0
61.36164	1.0
64.36516	1.0
67.05505	3.7
69.07053	3.8
69.21994	3.1
69.22413	8.1
71.08634	85.1
73.06554	2.1
74.09735	1.2
79.05479	2.8
81.07042	3.4
83.08617	2.5
85.09663	2.2
85.10184	72.8
87.04472	8.9
89.06036	100.0
91.05466	2.5
93.07061	2.7
95.08625	2.4
99.11720	7.9
103.07579	7.5
105.07042	1.4
107.07060	3.1
107.08560	1.0
109.10161	1.4
117.09113	2.6
119.08536	1.6
121.10169	1.4
127.14862	1.1
130.08640	2.3
131.07039	5.5
133.08607	78.3
135.10236	1.1
141.16371	7.8
159.11629	1.2
168.12189	1.1
175.09692	1.7
177.11235	29.0
185.19009	1.0
199.20590	7.6
221.13858	6.8
239.14938	2.7
243.23270	5.4
263.14868	1.1
283.17542	4.4
327.20135	26.5
367.23315	3.4
371.22696	2.1
385.24347	1.2
398.35251	1.0
525.39746	2.8
533.44360	1.2
542.34802	1.8
542.42749	1.8
543.36328	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	543.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.7
53.03949	3.2
55.01869	2.5
55.05515	13.0
57.03434	2.2
57.07047	1.4
60.52454	0.4
65.03945	2.4
67.05509	33.8
69.03407	1.8
69.06736	0.8
69.07070	9.7
71.04984	2.7
73.02888	1.0
77.03907	0.7
77.23287	0.4
79.05498	41.5
81.03419	3.0
81.07060	32.3
83.04982	3.8
83.08625	7.8
85.06540	0.8
90.70803	0.5
91.05488	21.0
93.07047	55.2
95.04975	7.4
95.08612	40.8
97.02898	3.0
97.06539	4.2
97.10171	2.3
97.24515	0.5
98.20795	1.2
99.04450	3.6
99.08084	0.5
103.05463	1.1
105.04513	0.8
105.07037	15.1
107.04956	7.4
107.08601	33.7
109.06522	2.7
109.09594	0.5
109.10167	6.5
111.04438	0.7
111.08041	1.9
113.06015	0.6
115.05399	0.6
116.06249	0.7
117.06215	0.8
117.07024	11.2
119.08588	14.2
121.06509	5.5
121.10149	18.5
123.08001	0.9
123.11682	0.9
125.05971	2.0
125.09601	0.8
128.06169	0.5
129.07007	1.2
130.07848	2.3
131.08582	5.9
133.10126	7.3
135.08099	2.2
135.11702	40.2
139.07503	1.5
141.06929	0.5
143.08522	1.8
145.10127	25.5
147.11707	3.8
148.74098	0.5
149.13252	2.9
153.12769	0.9
155.08519	0.5
157.10081	0.8
159.11687	3.4
161.13313	2.5
163.11194	48.2
169.10080	0.8
171.11702	0.7
173.09673	0.5
173.13263	2.9
175.14879	1.2
179.14381	0.6
181.12231	11.6
183.11636	0.6
185.13251	0.8
187.14868	1.0
209.11781	1.9
227.12793	100.0
228.13138	0.9
229.54555	0.6
230.53784	0.4
243.21042	1.3
250.13248	0.5
261.22171	6.4
275.20029	1.0
283.15494	0.7
299.23752	1.0
317.24814	2.1
451.31720	0.8
469.32980	0.5
525.35748	1.3
543.36816	54.0
544.37085	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
69.03425	0.6
70.06593	2.3
71.53825	0.3
71.66627	0.5
72.08174	2.0
79.05489	1.5
84.08150	0.8
85.02903	0.6
91.05482	1.5
93.07040	1.6
97.02890	1.5
103.05465	7.3
107.04961	2.2
109.02872	0.5
110.07161	0.5
116.07124	0.9
119.04956	1.4
120.08113	100.0
121.06565	0.5
121.08457	0.7
131.04970	2.0
135.04410	0.8
136.06187	9.5
137.05991	1.3
147.04422	2.2
149.05960	2.4
166.08650	47.7
167.07057	1.2
167.09023	0.5
179.07066	2.7
186.13315	0.5
229.73355	0.4
284.18234	0.4
348.06870	0.5
354.10367	0.5
363.32864	0.4
428.03580	1.0
542.26611	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	541.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.1
57.07080	14.7
58.06575	2.7
58.67881	2.0
59.06121	6.3
65.06425	1.6
67.05514	10.6
69.07068	19.8
70.06613	11.2
70.68566	2.3
70.68924	4.7
71.08628	8.7
79.05486	6.2
81.07065	43.5
82.07397	1.8
83.08611	5.5
85.07701	2.1
85.10168	4.6
88.07640	14.2
89.06015	5.0
91.05484	5.4
93.07059	18.0
95.04961	2.7
95.08615	37.0
97.10143	3.0
102.09179	10.3
105.07033	19.3
107.08601	20.9
109.10159	24.0
110.07175	3.3
111.06699	1.5
111.11729	2.9
117.07063	2.5
119.08595	16.4
121.10133	18.0
123.11729	11.1
130.00299	1.6
131.08571	4.4
133.08615	3.8
133.10129	12.6
135.11691	13.8
137.13232	3.6
143.08548	2.3
145.10133	8.5
147.11703	15.3
149.13255	8.3
151.14798	2.2
157.10162	9.4
159.11696	15.1
161.13260	10.3
163.14862	6.7
169.10159	2.7
171.11745	6.8
173.13281	9.5
175.09859	2.2
175.14827	7.7
177.16394	2.5
183.11716	4.5
185.13277	7.9
187.14868	6.1
189.16441	3.7
191.18039	3.1
197.13329	3.5
199.14851	5.7
201.16452	8.6
203.17900	2.8
211.14923	3.9
213.16460	2.2
215.18015	3.4
217.19525	2.4
223.14922	3.3
225.16383	3.3
227.17928	3.0
229.19531	2.1
237.16417	2.8
241.19580	2.8
243.21149	2.9
251.18019	2.3
253.19624	3.3
255.21184	4.3
256.26395	16.8
257.26730	14.2
269.22733	3.1
274.27533	2.3
281.22534	1.9
283.26404	4.6
284.26651	2.7
284.29428	4.4
285.29825	6.8
293.22781	2.2
295.24210	3.2
311.29391	13.5
312.29852	17.2
321.25681	2.2
459.40009	2.6
541.47260	42.5
541.53864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.05500	2.6
57.07049	0.8
65.62599	0.7
67.05509	7.2
69.03432	2.2
69.07074	7.3
70.06594	21.1
71.04976	1.2
71.55612	1.3
72.08153	2.5
72.74593	0.7
79.05505	3.5
81.03429	1.1
81.07061	6.2
82.06583	16.5
82.07058	1.0
83.08608	2.2
84.08149	10.7
85.02894	3.3
85.06558	1.0
86.09714	1.1
88.12913	0.9
91.05488	8.6
93.07045	6.3
95.04972	3.3
95.08611	10.9
97.02913	3.0
97.06534	1.0
99.04461	0.9
100.07625	5.2
103.05439	1.2
105.07034	10.4
107.08601	6.9
108.08097	1.3
109.02882	1.4
109.06512	1.8
109.10156	11.9
111.08086	1.1
112.07584	2.9
113.06040	0.7
114.05501	0.8
117.07009	1.8
119.04945	1.6
119.08587	38.4
120.08123	0.9
121.06488	1.4
121.10133	3.2
123.04426	3.3
123.08073	1.8
123.11667	2.3
124.07584	1.3
126.09151	1.3
127.03909	2.1
128.07080	100.0
131.08537	1.9
133.10135	38.5
135.08020	1.0
135.11659	5.4
136.07558	1.8
136.12029	0.8
136.78575	0.7
137.06015	0.8
137.09613	2.9
139.03865	1.0
142.08626	2.0
143.08548	0.7
144.10205	1.3
145.10179	4.1
147.04410	7.4
147.11687	8.2
149.13234	1.6
151.07568	1.4
151.14841	1.7
152.07076	0.9
153.12929	0.7
160.12505	1.2
161.05850	1.1
162.09137	5.0
163.03925	2.4
164.07094	1.1
166.08656	2.2
168.06496	0.8
175.14830	64.2
176.08313	2.4
176.15189	1.2
177.05458	1.5
180.10194	3.9
181.04936	0.8
188.09158	4.5
190.08626	1.1
193.15866	4.3
195.17455	1.1
203.08208	0.9
204.08482	0.9
207.10176	2.7
207.13881	2.0
208.09694	7.5
211.09647	0.9
212.09227	1.8
213.18517	1.5
225.10332	0.8
244.11765	1.5
248.12794	2.9
274.12936	2.3
303.09796	2.8
306.15530	1.2
325.11963	1.0
332.13455	6.3
335.12427	2.6
350.14453	65.5
351.14749	1.5
490.31314	0.8
492.17447	1.0
494.74356	0.8
510.18665	4.1
523.02570	0.8
542.21436	2.8
542.33875	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	541.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.5
57.03437	2.5
57.07082	100.0
58.04218	6.1
58.07411	2.4
59.05006	45.5
67.05507	7.5
67.85187	1.8
69.07070	6.7
70.06596	6.6
71.08636	76.6
72.05780	2.6
73.02922	3.4
79.05492	4.3
81.07069	10.7
83.08629	5.3
85.10191	61.5
87.04492	3.9
88.07642	9.0
89.06039	10.1
89.07973	2.3
90.01933	13.7
91.05486	4.5
93.07048	6.6
95.08616	9.7
97.10191	5.1
99.11749	9.8
101.09674	2.5
102.09181	8.4
103.07612	1.9
105.07037	3.9
107.08620	4.0
109.10204	4.0
113.13280	4.7
117.07029	2.8
117.09135	12.9
119.08604	5.9
121.10133	4.0
131.08611	4.0
133.08643	3.5
133.10164	2.5
135.11705	2.6
143.08595	2.1
145.10146	2.9
155.17978	4.5
157.10150	4.3
171.11766	3.2
173.13251	1.9
178.07176	2.6
183.11798	2.1
183.17374	2.5
207.16115	1.6
213.22282	9.8
237.16858	2.2
256.26419	11.7
257.26727	12.1
271.26227	8.2
283.26245	2.8
284.29568	2.7
294.15628	1.9
296.84875	1.9
311.29382	11.0
312.29825	17.3
391.68298	1.8
400.60236	1.8
449.34393	2.5
540.53546	2.3
541.39996	12.8
541.53931	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	541.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.6
53.03950	8.8
55.01866	3.7
55.05262	2.2
55.05514	29.6
57.03431	4.3
57.07081	6.1
60.06066	1.2
65.03940	3.8
67.05509	87.1
69.03436	1.6
69.07072	20.3
69.48272	2.2
69.48595	8.8
70.06588	2.1
71.04980	2.9
71.08640	2.4
73.06565	1.6
77.03915	2.6
79.05497	100.0
81.03421	9.6
81.07063	67.9
81.07436	0.9
83.04991	9.0
83.08629	9.4
85.06534	3.0
85.10209	1.1
85.88928	1.1
88.07625	1.7
89.06052	1.4
91.05486	71.4
93.07048	99.0
95.04972	25.3
95.08611	45.7
97.06510	6.2
97.10164	3.5
99.08123	1.3
103.05468	2.2
105.04523	4.2
105.07035	47.0
107.04968	6.6
107.08598	33.1
107.09294	2.6
109.06541	6.3
109.10163	13.7
111.08105	2.8
115.05486	2.2
117.07024	11.8
119.08587	31.1
121.06532	3.6
121.10144	24.1
123.08109	4.2
123.11732	2.9
127.07560	1.4
128.06261	2.9
129.07019	18.1
130.07881	1.5
131.08586	15.6
133.08621	1.6
133.10144	18.1
135.08115	1.8
135.11711	10.5
137.09648	2.0
141.06992	2.0
142.07835	1.2
143.08577	12.1
145.10107	13.9
147.08032	2.7
147.11699	31.9
149.13290	3.5
155.08574	3.9
156.09360	1.2
157.10136	3.0
159.11707	6.9
161.09654	4.8
161.13274	16.0
163.14886	1.3
169.10150	3.0
171.11699	25.1
173.13313	4.8
181.10136	2.1
183.11736	3.2
185.13342	2.8
187.14888	2.0
189.12752	9.9
197.13225	1.9
199.14917	1.6
201.16396	2.2
207.13800	25.8
209.13301	1.9
225.14839	2.1
256.26260	2.3
261.22141	6.7
281.17569	1.5
297.22241	1.5
301.08884	1.3
311.29828	1.2
326.74094	1.3
328.48575	1.7
360.81979	1.4
416.43094	1.2
449.34003	2.5
523.37866	1.8
540.54077	1.5
541.38983	91.2
541.53790	6.6
542.39142	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	540.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.4
57.03427	1.0
57.07079	27.4
58.06597	1.7
59.05009	6.1
67.05514	4.6
69.07070	3.7
69.17666	0.7
70.06596	31.2
70.39412	2.4
71.08636	14.2
73.02927	1.4
79.05502	1.1
81.07060	4.8
82.07436	0.8
83.08622	2.8
85.10191	10.5
87.04462	2.3
88.07636	17.6
89.06038	54.0
91.05475	1.5
93.07009	1.8
95.08585	4.3
97.10143	1.3
99.11785	1.0
101.09663	1.6
102.08548	1.4
102.09179	16.9
107.07090	1.9
107.08582	0.8
109.10127	1.1
110.10513	0.7
116.07098	29.6
117.09153	1.2
121.10133	1.1
130.08603	2.0
131.07088	1.3
133.08615	33.5
147.74718	0.9
153.10951	0.8
155.17902	1.4
177.11235	12.5
195.12227	1.2
212.23865	1.1
221.13788	1.7
239.14955	2.2
256.26376	39.8
274.27444	3.5
283.17548	1.9
283.26367	7.5
284.29517	7.6
311.29471	41.9
327.20135	22.0
406.69223	0.8
526.55048	0.8
540.53540	100.0
541.39795	0.8
541.54285	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	1.2
51.02388	2.0
51.46587	0.6
53.03954	8.2
53.27545	0.6
53.97930	0.6
55.01865	2.6
55.05514	25.8
57.03443	3.5
57.06868	0.6
57.07081	6.5
58.07420	0.9
59.05003	1.5
65.03941	6.3
67.05508	81.4
69.03423	1.9
69.07072	20.2
69.30538	6.2
70.06606	3.8
71.05015	3.4
71.08634	3.8
73.06546	1.4
77.03902	1.7
79.05499	100.0
81.03435	6.9
81.07061	67.5
83.04987	10.8
83.08624	10.3
85.06535	3.4
85.10165	1.3
87.36590	0.8
88.07637	4.7
91.04890	1.4
91.05488	66.5
93.07049	90.5
95.04977	22.0
95.08613	50.3
97.06537	6.1
97.10158	5.1
101.06020	0.6
102.09192	4.3
103.05446	1.8
105.04523	2.8
105.07036	46.4
107.04969	4.0
107.07862	1.6
107.08601	32.6
109.06535	5.2
109.10165	14.6
111.08095	2.8
115.05486	1.3
116.07057	0.7
117.07026	14.6
119.06066	0.7
119.08588	30.0
121.06533	2.4
121.10151	23.7
123.08064	6.4
123.11716	3.1
125.09647	0.7
127.07578	1.8
128.06213	3.9
129.07014	14.9
130.07832	1.9
131.08574	13.7
133.06485	0.9
133.10132	15.3
135.08189	0.9
135.11696	11.7
137.09656	0.8
137.13191	0.9
139.96036	0.7
141.07004	1.1
143.08545	10.0
145.10135	13.5
147.08052	1.8
147.11690	31.8
149.13274	5.0
155.08595	2.3
156.09343	1.3
157.10150	3.6
158.47029	0.8
159.11694	6.8
161.09634	3.6
161.13275	12.0
163.11148	1.1
163.14822	0.9
167.08615	0.9
169.10164	3.8
171.11696	21.5
173.13321	4.5
175.14894	1.3
179.14314	0.9
181.10239	1.9
183.11717	2.9
185.13301	2.4
187.14864	2.2
189.12761	9.1
195.11829	0.7
197.13292	2.7
199.14835	1.8
201.16437	0.9
207.13803	27.0
207.15727	1.3
209.13347	1.4
211.14920	1.4
213.16331	0.8
214.09421	0.7
225.14796	4.4
243.21077	1.8
256.26401	6.8
257.26617	3.4
259.20734	1.1
261.22192	5.3
263.16592	1.1
281.17514	2.0
283.26343	0.9
284.29703	0.8
311.29428	6.2
312.29822	4.0
317.24957	1.3
329.47888	0.7
420.34598	0.8
431.32883	0.8
449.34247	2.8
462.89972	0.7
467.35446	2.0
523.37811	2.3
540.53638	7.2
541.38953	87.5
541.53314	21.3
542.39496	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01867	2.6
56.59892	0.7
57.03434	0.8
61.02928	0.9
65.03937	2.5
67.05511	2.3
69.03425	0.8
69.07052	0.8
69.46550	5.4
70.06596	5.2
72.08154	2.1
75.04473	3.3
78.04714	2.6
79.05495	2.5
81.03420	1.3
81.07070	1.8
84.08140	7.7
85.02904	4.8
86.09710	1.8
89.03912	1.6
91.04905	0.9
91.05484	14.3
92.07117	0.9
93.03410	11.0
93.07050	7.0
95.04969	5.4
95.08601	1.8
97.02885	2.3
97.06528	4.2
103.05452	5.6
105.03363	0.9
105.04536	0.8
105.07032	2.3
106.03456	1.5
106.04182	29.8
107.04971	2.8
107.08610	1.5
109.06541	1.5
109.10161	1.0
110.07174	0.9
111.04450	0.7
115.05495	0.7
115.08706	1.2
116.07082	1.4
117.03387	1.7
119.04954	2.0
119.08575	1.7
121.06512	28.0
121.10191	0.9
123.04441	1.9
123.08057	1.8
124.03986	0.8
124.05265	0.7
125.06007	8.4
127.03919	1.1
128.07074	1.9
131.04951	1.9
133.06502	0.9
133.10088	0.9
134.03642	4.1
135.04422	1.5
135.08058	1.4
137.05997	5.9
138.05475	0.6
138.06726	1.3
139.07541	2.9
145.02907	1.4
147.04366	4.6
148.05170	2.8
149.05994	44.6
151.03905	0.8
151.07582	2.6
153.05559	1.8
153.09119	13.6
159.04425	1.4
160.66682	0.7
161.05951	1.4
162.01427	0.9
163.03897	2.8
163.07518	1.9
165.05515	0.8
166.06245	1.3
167.07043	4.0
177.05473	26.5
181.08607	21.5
191.07054	2.6
193.08565	0.8
195.06622	0.9
209.08098	100.0
219.10147	3.3
223.04228	6.9
243.06656	0.9
259.09756	1.1
312.09033	1.1
540.20306	2.0
540.27673	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11228	1.2
53.03939	2.9
55.01876	3.4
65.03939	2.4
67.05499	2.0
70.06587	7.8
71.54932	2.1
72.08156	3.7
74.60163	1.1
75.04489	2.8
78.04719	3.4
79.05483	3.8
81.03422	2.2
81.07046	3.6
82.06586	2.8
84.08149	34.8
85.02924	6.0
86.09734	1.3
89.03954	1.7
91.05489	15.9
91.62299	1.3
93.03413	10.6
93.07034	8.0
93.08334	1.4
95.04990	5.9
96.33304	1.2
97.02890	5.1
97.06528	5.0
98.06036	1.2
100.07657	1.6
103.05473	7.0
105.07014	2.6
106.04179	26.6
107.04987	2.5
109.06574	2.0
110.07117	1.4
115.08694	2.1
118.08666	2.4
119.04962	3.7
121.06512	27.4
122.07286	1.3
123.04410	3.0
124.03999	2.3
125.05987	8.4
127.03912	1.9
128.07089	1.5
129.07083	1.2
131.04938	1.5
132.11346	1.4
134.03648	4.2
135.04404	1.8
137.05991	6.1
138.06683	2.1
139.03954	1.6
143.51062	1.2
144.10191	3.6
145.02913	1.5
147.04393	9.1
148.05183	2.7
149.05988	44.3
151.07547	2.5
152.07094	1.4
153.05431	2.2
153.09094	12.1
159.04401	1.2
163.03889	6.6
163.07529	2.1
167.07089	3.8
167.77290	1.0
177.04031	2.2
177.05482	24.1
181.08621	20.5
191.07056	2.0
204.06824	1.3
209.08104	100.0
214.10709	2.2
223.04257	5.0
231.74071	1.1
243.06601	2.6
253.07072	1.8
259.09747	2.7
273.11270	2.0
274.10608	2.3
278.47681	1.3
456.34821	1.4
540.20703	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	540.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.2
53.92710	0.2
55.05504	0.7
57.03452	0.3
66.26631	0.2
67.05518	0.9
69.03438	1.5
69.07048	0.4
70.06598	9.7
71.05016	0.4
71.54468	0.3
71.64818	0.2
72.08159	1.4
78.03452	1.6
79.05507	0.5
80.05016	0.4
81.03410	1.7
81.07054	0.4
83.04957	0.3
84.08134	1.2
85.02909	1.3
85.06549	0.3
86.09708	0.5
89.10816	0.2
91.94936	0.2
93.07042	0.4
94.06606	0.4
95.04973	1.4
96.04513	1.2
96.08158	0.2
97.02900	100.0
97.06524	1.2
98.03230	0.7
98.06080	0.5
98.09727	0.4
100.07722	0.3
105.07039	0.4
106.02923	6.7
107.04994	0.5
109.02892	6.1
109.90829	0.3
110.07151	0.3
111.04476	0.2
112.07632	1.5
115.08689	0.5
116.07073	0.6
118.08710	0.3
119.04962	0.5
119.08527	0.3
122.06011	0.3
123.04439	0.5
124.03970	9.8
124.07616	0.4
127.03934	0.7
128.07106	0.8
129.10226	0.3
132.11298	0.5
133.10187	0.3
136.07632	0.5
137.05991	0.7
138.05525	0.4
139.33408	0.2
141.05479	2.0
145.02890	0.4
145.06523	0.3
146.77539	0.2
147.04410	1.6
163.03983	0.7
163.07603	0.3
164.07085	0.4
165.05547	0.3
166.08693	0.3
173.05836	0.3
177.05513	0.4
187.07579	0.3
193.12282	0.3
196.06087	0.8
201.05312	0.3
215.07024	1.2
219.06448	0.2
220.06071	23.4
223.06081	1.0
238.07077	3.6
254.06563	1.6
256.08246	0.7
257.05573	0.3
259.09830	1.1
274.12872	0.9
285.17032	0.5
325.10876	0.3
400.07227	0.3
400.12408	6.7
401.12848	0.3
408.12943	0.6
409.11441	0.9
496.18057	0.5
540.18463	0.3
540.24554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04685	99.1
71.05022	100.0
88.34386	59.8
105.06972	59.9
111.53907	51.7
120.72973	55.1
210.56750	55.1
244.08517	60.1
261.27686	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.5
51.87420	0.4
53.03951	0.5
55.05513	0.6
57.03441	0.6
67.05510	1.8
68.05036	0.5
69.03435	4.3
69.07063	0.5
70.06595	12.1
71.55534	0.5
72.08177	2.1
73.02904	0.7
78.03450	2.0
79.05488	0.8
80.04982	0.7
81.03419	1.2
82.06580	0.7
83.04973	0.3
84.04531	0.4
84.08112	0.8
85.02910	1.8
86.09709	1.2
91.05482	0.8
93.07082	0.4
95.04971	1.4
96.04500	0.9
96.05317	0.3
97.02895	100.0
97.06522	2.0
98.06058	0.5
99.04445	0.5
100.07613	0.5
102.05486	0.4
103.05471	0.4
106.02930	8.9
107.04932	0.8
107.08563	0.4
109.02895	1.4
110.07172	0.4
110.49261	0.4
111.04439	0.6
112.07615	0.9
114.05520	0.5
115.03947	1.6
115.08718	0.7
116.07096	0.9
117.03327	0.4
118.08701	0.4
119.04965	0.8
120.08116	0.6
123.04411	0.4
124.03956	16.3
127.03904	0.6
128.07085	1.6
132.11345	0.9
132.12938	0.4
135.04430	0.9
136.04842	0.4
136.07616	0.5
137.05988	1.1
138.05508	5.3
139.03903	1.3
139.05826	1.5
145.02898	0.7
147.04393	2.7
149.06007	0.5
153.01866	0.6
156.06604	0.7
163.03946	1.0
166.04982	2.4
166.08629	1.9
167.05397	0.9
167.08984	1.4
173.02432	0.7
177.05496	1.3
181.04994	0.7
190.08723	0.6
196.06059	1.1
201.05525	0.5
211.09793	0.4
212.09200	4.7
213.09492	4.0
215.07019	1.1
220.06058	21.3
223.06093	0.7
238.07129	4.5
254.06549	3.3
256.08090	0.4
259.09793	1.5
274.12885	0.5
330.18250	0.6
352.10257	1.3
360.10098	0.4
370.11310	8.7
400.12363	1.1
409.11200	1.3
487.72354	0.5
494.16916	2.2
540.19263	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	540.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05497	0.5
55.70884	0.4
57.03430	0.3
59.10420	0.3
64.57713	0.3
65.03957	0.3
67.05499	1.4
69.03432	2.0
69.07073	0.7
70.06596	13.0
71.34355	0.5
72.08152	1.6
73.02922	0.5
78.03472	1.9
79.05501	0.3
80.05023	0.5
81.03436	1.7
81.07071	0.4
83.04972	0.6
83.65871	0.3
84.08144	1.6
85.02899	0.9
86.09722	0.8
87.04480	0.5
91.05471	0.7
94.06558	0.5
95.04994	1.7
96.04495	0.8
97.02895	100.0
97.06533	1.2
98.03248	0.6
98.06055	0.8
99.04478	0.3
100.07594	0.4
106.02924	7.8
109.02888	6.4
110.07189	0.7
111.04485	0.4
112.07634	1.6
115.08701	0.6
116.07127	0.4
119.04955	0.7
119.08617	0.4
123.04404	0.6
124.03963	10.3
126.18928	0.3
127.03934	0.4
128.07114	1.1
132.11337	0.7
136.07574	0.6
137.05971	0.4
138.05493	0.6
141.05501	2.4
145.02896	0.4
147.04413	2.1
153.05479	0.4
161.02420	0.4
161.06032	0.6
163.03874	0.8
165.05502	0.4
166.08702	0.4
169.06528	0.4
173.02258	0.4
187.07559	0.4
191.06996	0.4
193.12396	0.4
196.06049	0.9
197.05937	0.4
200.04666	0.5
206.04567	0.3
206.30959	0.3
210.29193	0.3
215.07094	2.2
219.06554	0.5
220.06059	24.4
221.06374	0.3
223.06041	1.2
238.07133	3.0
238.10851	0.4
254.06674	1.2
256.08167	0.7
259.09634	1.2
274.12869	0.9
345.92737	0.3
382.11792	0.4
400.12399	6.1
401.12790	0.4
408.12787	0.7
409.11465	1.0
488.33514	0.4
494.16583	0.8
531.10834	0.3
533.95428	0.4
540.24060	0.4
541.23071	0.4
551.43250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32730	4.4
51.59716	4.2
55.01874	7.3
55.05519	26.6
57.03431	9.0
57.07084	32.5
67.05512	44.6
69.07084	25.9
69.37661	4.8
69.61971	10.4
69.62382	18.4
70.06618	4.5
71.08633	18.3
79.05504	40.9
81.07067	49.2
83.04993	9.1
83.08622	20.1
85.10184	11.1
91.05477	27.4
93.07054	47.4
95.04951	9.3
95.08620	56.7
97.10186	10.5
105.07037	34.8
107.04943	8.8
107.08606	24.1
107.32244	4.6
109.10159	15.5
111.04400	5.6
116.07117	7.6
117.07029	17.6
119.08600	25.2
121.10112	14.9
123.11717	6.2
129.07028	13.3
131.08575	17.0
133.10150	11.5
135.11700	20.8
141.07019	6.4
143.08591	16.4
145.10130	27.7
147.11699	9.0
155.08615	10.6
157.10139	10.9
159.11752	6.6
163.11249	27.4
167.08633	9.5
169.10107	20.8
171.11685	14.0
181.10138	11.3
181.12239	7.7
183.11720	14.1
185.13190	7.5
195.11739	8.4
197.13286	10.0
209.13330	6.4
211.14705	4.7
221.13307	5.2
223.14812	6.7
227.12798	51.7
283.15491	31.6
313.27383	37.5
353.24194	5.1
442.52924	5.3
447.32578	11.3
465.33890	6.0
521.38196	34.4
524.99146	6.2
539.37427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01889	1.2
55.05512	8.6
57.03453	2.3
57.07081	2.4
67.05505	18.4
67.05827	1.2
69.07081	6.8
71.05013	1.5
71.55887	1.1
79.05498	16.7
79.05965	1.0
80.77451	0.7
81.03435	1.5
81.07059	17.2
81.07510	0.9
83.05007	2.6
83.08614	3.7
84.99678	0.7
85.06547	1.4
85.10171	0.8
91.05476	16.2
91.05986	1.0
92.09123	0.8
93.07047	14.6
95.05016	2.9
95.08604	11.0
97.06523	0.9
97.10178	2.5
99.08147	1.0
103.05479	0.9
105.07036	15.7
107.04963	1.1
107.08601	5.6
109.06561	1.4
109.10176	4.0
111.08090	0.9
115.05485	1.2
117.07011	7.8
119.01932	0.8
119.08576	10.7
121.10168	3.5
123.08090	0.7
123.11739	0.8
125.09683	1.2
128.06248	2.3
129.06998	7.1
131.08569	8.4
133.06494	0.8
133.10127	5.6
135.08000	0.7
135.11728	3.0
141.07002	4.7
142.07860	2.1
143.08577	9.9
145.10123	9.9
147.11697	5.3
149.13371	1.1
153.07011	1.7
154.07841	0.7
155.08542	9.6
157.10126	5.9
158.47214	0.7
159.11649	5.9
161.13327	2.4
165.06984	0.8
166.07735	0.8
167.08594	5.0
168.09439	1.8
169.10149	11.0
171.11684	7.7
173.13326	3.4
179.08658	1.8
180.09396	1.4
181.10130	8.0
182.10851	1.1
183.11702	8.6
183.12987	0.8
185.13287	4.2
186.97578	0.8
193.10239	2.7
195.11700	7.1
197.13272	5.3
199.14891	2.8
203.05319	0.8
205.10120	0.8
207.11777	2.8
207.13654	0.9
209.13338	4.4
211.14853	3.2
213.16434	2.2
221.13370	2.7
223.14868	3.5
225.12831	0.8
225.16495	1.6
235.14888	2.0
237.16466	1.9
239.17941	1.6
241.19533	1.1
247.17088	1.1
249.16501	1.5
259.20587	2.5
279.17517	1.2
281.17233	0.8
297.22046	1.0
307.20639	1.4
309.22156	1.3
315.23441	1.2
315.27496	1.0
321.22311	1.1
323.23581	1.2
327.23441	0.9
335.23627	1.3
349.25430	1.1
367.26273	1.0
379.26221	0.8
429.31427	2.3
431.33145	0.9
447.32562	12.7
465.33627	6.0
483.34833	4.0
503.35880	1.2
521.36005	6.9
526.39966	0.9
539.31787	100.0
539.38043	38.4
540.32068	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	538.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18200	2.9
54.38626	2.9
55.05518	21.2
57.03433	7.3
57.07079	100.0
59.04976	3.7
64.28049	3.5
67.05508	35.4
69.03432	16.0
69.07073	20.2
69.82486	16.1
71.08235	4.2
71.08633	79.4
72.37490	3.2
79.05515	5.1
81.03402	8.4
81.06649	3.7
81.07063	42.2
82.81355	3.1
83.08626	27.8
85.02911	28.2
85.10194	43.2
89.05981	3.2
95.08609	71.5
97.02888	17.5
97.10172	27.9
99.04458	6.0
105.06986	2.9
109.02873	6.7
109.10165	32.7
111.11721	11.2
123.11737	19.9
127.03917	25.3
137.13251	8.0
140.60329	3.0
145.04942	14.6
151.14842	3.7
169.30780	3.1
249.25848	3.3
259.27066	2.8
267.26831	73.9
281.07047	2.9
285.27832	8.8
301.06021	3.4
341.30493	85.2
341.34656	4.6
351.66544	3.2
400.61465	3.4
411.31030	37.3
429.32159	59.8
538.36951	10.3
538.52124	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	539.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.5
53.03940	15.5
55.01878	14.7
55.05510	34.2
57.03428	10.2
57.07064	9.3
59.77481	3.0
61.02922	5.1
65.03923	3.2
67.05511	49.4
68.99786	6.2
69.03078	4.3
69.03434	68.4
69.07072	56.3
70.06583	5.0
70.61964	8.3
71.01326	3.8
71.04990	10.8
71.08641	4.7
72.08129	3.9
73.02915	5.4
79.05495	36.1
79.23082	2.5
81.03421	65.3
81.07062	100.0
83.04962	14.9
83.08620	25.0
85.02428	4.5
85.02907	53.6
85.06550	5.3
85.65947	2.5
87.00822	23.8
87.04475	3.6
91.05476	36.3
93.07052	56.3
95.04961	23.1
95.08613	98.1
97.02906	36.3
97.06541	14.1
97.10189	16.4
99.04469	21.3
99.08094	3.3
103.04008	3.0
103.05425	2.9
103.94219	3.3
105.01860	10.2
105.07030	46.7
107.04962	7.7
107.08598	50.2
109.02883	37.7
109.06504	14.1
109.10161	54.7
111.04471	18.9
111.08061	8.3
111.11704	6.7
115.03949	6.9
117.07045	8.7
119.08588	41.9
121.06497	9.2
121.10144	38.9
123.04424	7.7
123.08070	7.8
123.11726	21.5
125.05970	2.3
125.09617	4.2
125.49422	2.6
127.03926	64.2
129.01880	4.0
129.06981	7.3
131.08594	15.7
133.06487	2.6
133.10129	28.6
135.08040	9.0
135.11690	29.0
137.06023	6.1
137.09595	7.0
137.13251	10.4
139.03821	3.6
141.06982	3.3
142.07776	4.1
143.08548	6.8
145.04971	9.2
145.06380	3.6
145.10127	17.8
147.02905	4.5
147.04384	7.0
147.08055	7.2
147.11714	19.3
149.09654	6.3
149.13264	23.2
151.07539	5.7
151.11186	6.4
153.05464	4.9
153.09157	2.8
155.08539	4.7
157.10107	11.9
159.02890	7.7
159.08087	7.1
159.11703	12.6
161.09634	7.8
161.13292	13.1
163.11147	4.4
163.14830	6.7
165.09082	4.1
169.10089	5.0
171.11690	3.7
173.04486	3.5
173.09647	5.6
173.13269	10.4
175.11145	4.7
175.14853	6.3
177.09073	3.4
177.16412	5.4
185.09694	2.7
185.13248	5.5
187.05977	6.7
187.11116	3.3
187.14772	6.2
189.03925	3.4
189.12721	10.5
189.16302	4.3
191.17934	3.3
197.13330	4.2
199.14757	4.8
201.16493	5.9
203.14423	3.8
203.17961	4.0
209.13275	4.5
213.03957	11.4
213.09079	3.0
213.12910	3.2
213.16397	3.9
215.14211	3.0
217.19481	2.8
231.04985	15.3
263.23505	2.9
271.24252	4.5
273.18506	3.5
273.25751	6.7
285.25909	2.7
291.26810	8.2
303.26996	3.2
315.26749	3.3
319.26361	3.2
331.26401	3.5
349.27390	4.2
357.27829	2.9
381.27893	11.6
399.29047	17.9
417.29913	10.0
423.52103	2.4
435.31085	4.6
485.29053	5.2
503.11804	2.6
503.30145	12.5
511.19641	2.8
521.30762	15.0
539.18866	5.1
539.31885	10.0
539.38837	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	539.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
57.05825	1.4
58.06602	0.8
65.03934	2.3
67.05508	18.5
69.03427	3.2
69.07071	1.3
70.06592	5.1
72.08151	2.7
78.16080	0.7
79.05499	0.8
81.03429	8.6
84.04509	2.0
84.08149	1.5
85.02924	4.3
86.09708	9.7
88.04013	3.5
90.30674	0.7
91.05484	1.9
93.03410	1.4
95.04981	10.0
97.02893	9.0
98.06081	1.1
99.04470	1.3
102.05553	1.8
105.07015	0.8
106.02917	0.8
107.04991	4.9
108.08986	0.7
109.02889	6.5
110.06050	1.1
111.04449	6.4
112.07504	0.7
116.07077	2.0
119.04936	1.6
120.04453	0.7
120.08148	1.7
123.04412	1.5
127.03883	2.0
131.02072	0.9
135.04430	11.9
136.07549	2.3
137.05971	2.4
138.05507	72.8
139.03920	16.7
147.04422	3.2
148.07581	1.6
151.06256	1.2
163.03867	4.8
164.07079	0.9
166.05005	44.7
166.08646	59.9
177.05527	1.1
181.04932	15.2
184.06056	1.4
206.04567	0.7
208.09682	0.7
212.09189	100.0
213.09499	1.0
217.08250	2.1
220.05981	1.4
238.07076	1.2
245.07736	4.2
310.08945	1.2
374.14200	2.0
380.30978	0.8
493.17926	3.1
503.16638	1.1
521.17859	1.7
522.75714	0.8
539.18561	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	538.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03901	0.7
53.03935	0.7
55.01872	1.9
55.05516	4.8
57.03429	2.7
57.07072	0.7
58.02852	0.5
58.79251	0.5
61.02919	2.2
65.03944	0.9
67.05515	3.5
68.05024	1.0
69.03439	7.0
69.05815	1.1
69.07063	1.5
69.47057	0.5
69.56496	4.2
70.06590	2.3
71.04993	6.0
72.08158	0.7
73.02924	11.4
75.08473	0.7
79.05495	1.3
81.03410	2.4
81.07060	5.1
83.04987	6.1
83.08619	5.0
84.04485	0.9
84.08149	1.1
85.02905	10.1
85.06549	1.9
86.09708	7.1
87.04470	0.9
87.10043	1.4
91.05479	2.9
93.07020	3.5
95.04972	100.0
95.08625	2.8
96.05286	0.9
97.02905	8.6
97.06543	2.7
97.10178	1.1
99.04459	18.6
103.03942	1.3
105.07051	4.8
107.08604	5.2
109.02877	1.1
109.06522	2.4
109.10160	6.1
111.08062	1.8
115.03910	3.4
115.07566	0.7
119.04877	0.9
119.08604	2.8
120.08154	4.8
121.08451	1.1
121.10157	2.8
123.08009	1.1
123.11710	1.5
124.03954	2.0
125.05994	1.2
125.09641	3.4
127.03944	3.4
127.11194	1.9
129.04648	0.7
131.08580	1.8
133.04936	2.9
133.10144	8.7
135.08051	2.5
135.11652	0.8
136.07506	0.7
137.06009	2.3
137.09589	0.9
139.11198	2.1
143.10686	2.0
145.04976	3.6
145.10127	2.1
147.04395	3.2
147.11710	2.2
148.04778	0.7
149.09604	0.8
149.13258	0.9
151.11188	10.1
153.09113	21.3
155.10611	1.0
159.11710	1.4
161.05984	1.0
163.03966	0.9
163.06026	1.3
167.14317	7.3
169.12283	2.5
173.08157	1.8
173.13347	3.2
174.09210	1.2
175.07599	1.6
175.11090	0.6
177.05356	0.6
181.12195	2.8
185.08102	1.0
191.14302	3.7
193.15848	0.8
201.16383	1.0
203.07092	2.2
203.08919	0.7
204.07353	0.8
209.15375	67.2
217.80090	0.6
219.17511	1.2
220.09734	3.7
221.10019	2.4
227.16408	2.0
233.09866	0.8
233.15399	1.3
235.07968	0.8
237.18515	1.9
244.11848	1.0
249.12402	2.1
250.12596	1.4
251.16428	1.5
253.30595	0.7
256.23761	0.6
259.08115	0.8
287.53448	0.7
309.91290	0.6
323.18591	0.7
335.18600	1.7
341.19635	5.3
353.19684	0.8
362.20956	1.4
363.21057	2.1
371.20590	3.1
390.20438	4.8
391.20599	10.6
503.24915	2.0
538.27582	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	537.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.6
55.05515	26.4
57.03429	12.6
57.07080	31.0
63.08405	4.4
65.03941	4.4
67.05515	64.6
68.05121	4.3
69.07085	23.7
69.45794	3.9
70.02612	4.3
71.05016	4.4
71.08640	31.7
71.56417	5.1
79.05501	59.6
80.20619	4.6
81.03428	8.7
81.07059	60.5
83.04989	10.0
83.08629	17.1
85.10194	14.8
91.05463	50.6
93.07045	56.2
95.04990	10.2
95.08615	39.1
97.06520	5.9
97.10177	10.6
105.07036	41.5
107.04948	7.0
107.08614	16.6
109.10164	11.6
117.07012	6.5
119.08582	16.4
125.94193	4.0
129.07031	11.6
131.08592	7.0
133.10146	9.0
137.13351	4.9
143.08510	8.3
145.10156	12.7
147.08110	5.0
147.11725	23.5
161.13295	12.0
171.11728	24.5
178.85176	5.2
189.12846	7.0
207.13821	33.3
239.23683	4.7
281.17514	100.0
313.27371	47.3
503.05685	4.5
519.40533	75.8
537.37451	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	537.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.5
55.01867	11.3
55.05266	2.2
55.05513	25.8
57.03440	9.0
57.07064	6.3
61.02914	6.8
61.08460	1.6
65.03939	4.5
67.05505	59.3
68.99799	9.0
69.03432	64.5
69.06720	3.0
69.07073	39.6
70.06599	14.3
71.01344	3.0
71.04991	16.4
71.55959	3.6
72.08151	7.2
73.02902	4.7
77.03960	2.1
79.05491	36.8
79.05956	2.0
79.49620	2.0
81.03423	59.5
81.07057	99.4
83.04979	13.6
83.08620	13.1
84.08128	2.0
85.02905	65.2
85.06549	4.2
86.09707	6.7
87.00829	19.1
87.04472	2.4
88.34030	1.7
91.05482	39.4
93.07043	60.5
95.04974	20.1
95.08611	100.0
97.02903	31.1
97.06540	8.5
97.10163	9.9
98.09683	2.2
99.04461	22.7
99.08115	2.1
101.05934	1.8
103.03934	1.9
103.05450	4.5
105.01861	7.6
105.07030	47.3
107.04949	10.4
107.08595	51.1
109.02132	1.9
109.02892	38.3
109.06504	11.8
109.10159	80.5
111.04448	17.3
111.08106	9.7
111.11710	4.5
113.02371	2.2
115.03955	4.3
115.05447	2.9
117.07028	13.3
117.48227	1.7
118.06525	2.9
119.08581	46.4
120.08116	4.8
121.06528	7.4
121.10148	43.2
123.04445	12.9
123.05285	2.2
123.08076	8.9
123.11713	30.7
125.09622	4.2
127.03918	89.8
129.01839	3.8
129.05461	2.6
129.07002	7.1
131.04919	6.1
131.08572	20.0
133.06479	5.0
133.10136	34.5
135.04411	3.4
135.08051	7.5
135.11705	30.8
137.05995	13.7
137.09615	7.8
137.13226	9.9
139.11177	3.0
142.07794	4.5
143.08540	10.9
145.04944	8.1
145.06490	4.1
145.10127	25.5
146.06036	2.7
147.04427	3.8
147.08040	6.2
147.11699	22.9
149.05965	2.1
149.09631	5.4
149.13255	18.4
151.07512	4.0
151.11171	4.4
151.14806	2.2
153.01820	8.2
153.05531	3.6
155.08553	3.5
157.10109	13.0
159.02890	7.8
159.08058	5.0
159.11687	18.2
161.06082	3.9
161.09636	5.7
161.13290	17.6
163.03908	9.8
163.07494	4.8
163.11150	5.4
163.14825	11.5
165.12804	3.7
167.07030	4.3
169.10129	5.0
171.02844	2.2
171.11646	8.4
173.09532	2.5
173.13264	15.1
175.07568	3.1
175.11113	3.9
175.14818	12.1
177.05508	2.0
177.12759	3.9
177.16360	8.5
179.08635	2.8
179.14250	2.3
181.10023	4.0
183.11674	4.9
183.14946	1.8
185.09653	2.6
185.13277	6.2
187.06050	5.3
187.11140	3.5
187.14835	6.5
189.03963	3.9
189.09146	2.8
189.12727	3.8
189.16388	8.1
195.11687	2.1
197.13313	4.8
199.11162	4.2
199.14990	4.3
201.12785	2.6
201.16400	5.5
203.14366	2.0
203.17859	2.9
211.14725	4.2
213.03943	16.7
213.12665	3.4
213.16312	4.1
215.10634	2.3
215.17975	5.6
219.13759	2.7
221.13249	3.2
225.16338	2.0
227.14247	3.0
227.18016	2.2
229.15761	2.2
231.05049	17.1
243.11099	1.9
243.14977	3.7
243.21017	2.1
249.06078	2.8
255.20950	2.7
257.22543	3.4
257.90161	1.8
259.04611	2.1
261.22076	3.2
269.22684	3.2
271.14404	4.7
271.24222	8.2
275.23709	1.8
279.10095	1.8
287.23718	5.2
289.06955	8.5
289.25211	10.7
299.23749	3.6
303.23184	2.2
313.25323	2.8
339.22894	2.0
369.27841	3.0
379.26303	6.1
387.29041	2.8
390.20267	8.0
392.21945	2.1
397.27405	12.2
415.28412	9.9
433.29407	3.0
475.30475	2.4
483.27475	3.8
501.28683	9.7
519.29468	18.1
537.21997	2.1
537.30609	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	537.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01869	4.2
57.03431	4.2
61.02918	1.7
67.05511	3.0
68.99800	1.6
69.03124	1.6
69.03442	16.7
70.06595	13.2
71.01389	1.8
71.04993	3.1
71.54382	2.3
72.08143	6.5
73.02913	4.0
81.03423	19.8
81.07053	2.8
84.08136	4.6
85.02910	24.1
86.09699	5.2
87.00838	8.6
91.05492	3.9
95.04978	11.1
97.02901	18.6
97.06496	1.9
99.04455	7.4
103.05442	2.0
105.01859	6.2
107.04964	2.1
109.02885	12.6
111.04449	1.7
113.10574	1.5
117.01877	1.5
117.03358	3.3
119.04920	2.0
119.08568	2.6
120.08115	4.2
121.02834	1.9
123.04448	38.3
127.03922	18.2
131.04980	2.3
134.03595	3.1
135.04417	3.9
137.02348	94.5
137.05913	3.8
139.03851	1.5
141.07011	2.1
145.02841	7.2
145.04970	8.1
145.06360	2.0
147.04390	5.6
149.05962	2.6
151.03908	8.1
153.01875	4.3
153.05426	2.1
156.10278	1.7
159.02858	6.1
163.03896	3.9
163.07552	4.7
167.07060	1.9
167.92401	1.7
169.06482	12.4
177.05460	17.0
179.03398	15.9
186.56375	1.9
191.07040	16.0
192.07397	9.2
197.06007	18.2
199.06352	9.5
215.07040	92.1
216.07405	1.7
225.05444	10.0
231.04973	1.9
243.06537	54.6
243.14879	3.3
271.06039	29.6
271.14319	4.3
289.07086	100.0
289.15637	4.4
481.57294	1.8
537.17908	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	537.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33753	0.4
53.03954	0.7
61.42423	0.4
68.05032	6.3
69.03444	0.5
69.05817	12.0
69.07078	0.7
70.06586	2.0
70.90978	1.0
83.46165	0.4
85.02914	0.5
86.09710	58.0
91.05482	0.9
91.57349	0.4
93.07056	1.4
95.04981	0.5
96.04523	0.8
103.05480	6.1
119.04931	0.6
120.08110	41.2
122.09676	2.6
123.04470	0.5
124.03963	14.4
132.08109	0.5
133.06477	0.8
136.07587	0.6
137.11995	3.1
138.12790	4.0
143.08571	0.5
149.77362	0.4
157.06471	1.1
158.07336	1.2
159.08055	1.0
161.05978	9.1
161.07227	0.5
165.05482	0.8
168.39099	0.4
171.08051	1.2
174.09157	12.7
181.13440	0.8
185.05991	1.0
186.09187	1.8
187.09906	0.6
187.12373	0.7
190.08673	0.8
203.07045	22.0
203.11781	5.7
209.12956	0.6
215.11980	0.5
220.09695	39.5
221.10016	0.5
232.09705	7.1
232.11821	0.7
243.11357	2.7
249.12358	33.7
250.12936	0.5
287.05490	0.7
293.98337	0.5
295.16678	0.5
303.44986	0.4
316.20270	1.9
317.18536	2.1
333.18109	3.1
362.20755	25.9
363.21030	0.5
378.18256	2.7
390.20239	100.0
391.20502	1.5
396.19266	0.9
407.86176	0.5
424.18640	3.7
509.28149	0.7
519.25897	0.8
537.27100	16.4
538.27368	0.5
548.46478	0.5
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
51.11363	1.5
57.03425	5.6
58.82432	1.4
60.24029	1.4
61.02898	1.8
67.05492	3.1
69.03432	18.1
69.07062	2.9
70.06596	16.0
70.37138	1.6
70.37486	5.3
72.08168	3.3
73.02911	2.4
79.05504	3.9
81.03415	5.4
81.07063	8.4
83.04952	1.4
84.04483	1.7
84.08161	6.7
85.02910	52.9
87.04469	6.3
88.03998	1.5
88.31258	1.3
89.03918	5.3
91.05492	5.2
93.07055	2.8
95.04987	1.6
95.08612	3.4
97.02896	16.2
97.06541	2.1
105.07027	10.9
107.04953	2.7
107.08595	4.1
109.02858	1.4
109.06515	3.3
109.10143	5.8
111.04449	2.4
115.03941	11.0
117.03418	6.3
117.07052	2.1
119.08595	18.1
120.08159	1.8
121.10168	5.4
122.02714	1.3
123.04457	1.6
123.11713	48.4
125.05998	3.2
127.03922	4.0
129.10251	1.4
131.08569	3.2
133.04991	10.3
133.06531	6.6
133.10120	1.8
135.04428	20.4
137.06065	3.6
138.09122	1.4
139.03900	10.1
139.07486	1.6
143.08568	2.4
145.02846	9.2
145.10114	14.6
147.08034	2.3
147.11705	24.9
149.09628	5.1
156.09357	3.7
159.11650	1.5
161.13261	1.7
163.03917	44.7
164.07024	2.0
166.08635	22.3
171.11696	4.3
181.04970	7.5
189.12750	100.0
191.07083	2.3
193.12303	2.1
207.13809	48.7
212.09192	41.2
217.15785	1.7
225.14845	16.7
295.10086	2.1
374.14563	11.9
374.21414	1.8
536.17438	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	536.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01880	2.5
55.05523	7.4
56.05029	2.2
57.03432	2.8
58.99594	20.9
67.05511	7.6
69.03423	3.7
69.07059	3.1
70.06598	20.3
70.14589	1.5
70.14943	5.4
71.04972	2.0
72.08150	2.6
73.02895	1.4
74.00671	2.6
76.02235	100.0
76.04002	5.9
79.05483	10.3
80.05010	1.8
81.03423	25.7
81.07066	8.9
82.06577	1.5
83.04997	9.3
83.06099	1.9
83.08630	9.6
84.04035	2.3
84.04510	26.3
84.08145	2.1
85.02899	3.8
85.04018	6.0
86.99055	4.7
87.04457	4.5
88.02248	1.8
91.05478	10.0
92.01723	1.8
93.07040	5.8
95.04985	10.8
95.08613	3.7
97.01125	2.3
97.02892	5.1
97.06516	2.4
97.10170	2.9
105.07035	8.2
107.04950	2.5
107.08589	3.0
109.02895	2.0
109.06556	1.7
109.10141	3.1
111.08082	5.7
112.02127	1.8
112.03984	1.8
113.03484	2.6
113.05978	1.5
114.03787	2.0
115.05402	1.7
116.01694	28.0
119.08612	8.1
120.08109	4.5
121.10188	3.4
128.07103	4.2
129.06993	4.2
130.05017	22.9
131.04543	5.7
131.08588	3.9
133.10118	4.1
135.04413	1.7
137.05968	1.9
142.03236	11.1
144.01154	19.2
145.06142	1.6
147.11676	6.6
149.09605	3.5
151.11380	1.9
157.10123	6.0
162.02222	48.1
163.03941	3.6
165.21219	1.2
170.02841	2.7
175.11234	4.9
177.03326	17.9
179.04872	98.5
181.43059	1.5
187.05334	2.6
193.12268	20.2
211.13304	39.2
212.09155	1.8
215.04871	3.4
229.27217	1.5
233.05913	29.3
245.05940	5.7
250.12646	3.3
268.13742	1.8
278.37756	1.4
286.14777	1.6
287.05603	2.5
288.05856	6.2
290.08066	2.7
291.06326	3.3
306.07507	2.5
308.09125	87.7
371.16220	2.9
374.14380	4.2
432.63043	1.6
456.06238	1.4
518.29315	2.4
536.18390	4.5
536.30261	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	536.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
57.03430	0.3
57.05820	0.6
58.06610	0.5
60.85772	0.2
63.02391	0.5
65.03936	0.7
69.03423	2.0
69.70600	1.0
69.71011	0.5
70.06580	1.4
71.05029	0.2
72.08160	1.8
79.05507	1.2
81.03422	4.9
82.82899	0.3
84.04510	0.4
84.08144	0.6
85.02913	3.0
88.04006	1.3
89.03920	7.5
91.05483	0.8
93.03421	1.0
97.02893	0.9
99.04459	0.4
101.86067	0.3
107.04961	4.3
109.02876	2.2
111.04450	2.8
114.41396	0.2
117.03392	9.3
118.46909	0.3
119.04926	0.4
120.08112	0.8
123.04434	1.1
125.05949	0.5
126.05516	0.6
127.03909	0.9
127.05772	0.3
135.04427	25.5
137.06004	0.9
139.03906	12.6
145.02852	13.6
147.04382	0.4
148.07625	0.8
151.03928	0.3
151.06282	0.6
163.03914	100.0
164.04279	0.7
166.08649	32.5
167.07053	0.4
172.51611	0.3
176.06981	0.3
177.05533	0.5
178.05023	0.3
181.04962	10.6
191.07016	2.5
197.12970	0.5
198.13287	0.4
206.04405	0.3
207.04817	0.5
212.09189	65.0
260.28336	0.3
299.06122	0.3
302.10117	0.6
307.08102	4.4
325.09189	2.2
341.08740	0.4
374.14545	12.8
387.12003	0.3
490.16599	0.3
536.17743	3.8
536.29962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4151
Annotation	Toxicol B
Peak:m/z	Relative Intensity
50.69094	0.5
52.62692	0.4
53.03939	0.9
55.01865	1.1
55.05263	0.9
55.05516	13.8
57.03435	1.1
57.07070	2.0
59.04997	1.0
60.88773	0.5
63.27373	0.5
65.03953	1.2
67.05508	26.5
69.03443	0.6
69.07072	10.9
70.62515	1.4
71.04995	1.8
72.08131	0.5
75.24677	0.5
79.05495	10.2
81.07058	22.6
83.04973	1.2
83.08619	8.1
84.79529	0.6
85.06550	1.7
91.05476	8.7
93.07047	10.1
95.04985	1.1
95.08607	19.9
97.06517	1.8
97.10159	4.8
105.07041	8.9
106.57266	0.5
107.08601	8.1
109.06515	0.8
109.10162	11.6
111.08064	0.9
111.11740	0.6
115.05473	0.9
117.07014	4.8
119.08581	9.9
121.10146	5.6
123.08066	1.3
123.11681	3.3
125.09630	1.8
128.06233	2.3
129.07013	7.4
131.08571	9.6
133.10138	5.9
135.11685	2.8
137.13295	1.3
141.06999	6.5
142.07806	2.2
143.08560	12.2
145.10133	10.7
147.11699	3.6
149.09680	0.6
149.13272	1.2
153.06999	2.0
154.07803	2.0
155.08553	18.6
156.09338	2.1
157.10133	12.4
159.11711	7.4
161.13283	1.8
163.11128	0.8
163.14868	0.8
165.07069	2.0
166.07811	1.2
167.05605	0.7
167.08568	10.1
168.09332	3.5
169.10130	26.4
170.10883	1.0
171.11688	10.6
173.13264	3.9
175.14825	1.5
178.07919	0.7
179.08560	4.1
180.09380	2.0
181.10132	15.4
182.10942	2.8
183.11708	24.5
185.13263	10.3
185.14836	0.7
187.14877	2.4
189.16379	0.8
191.08615	0.5
191.78435	0.5
192.09358	0.8
193.10162	5.9
194.10915	1.5
195.11714	18.5
196.12473	2.1
197.13268	19.0
197.15021	1.1
199.14822	5.6
201.16399	1.6
205.10165	1.2
206.10931	1.0
207.11714	6.5
208.12512	0.9
209.11226	0.8
209.13261	17.0
210.14044	1.1
211.14838	14.7
213.16444	1.9
219.11792	2.1
221.13245	4.9
222.14021	0.8
223.14822	10.9
223.17007	0.8
225.16380	11.7
225.18477	0.8
227.17967	2.1
233.13254	1.9
235.14890	4.5
237.16377	8.1
237.18297	0.4
239.17992	6.8
241.19595	1.6
247.14862	2.2
249.16412	3.4
251.17924	4.1
251.20140	0.6
253.19502	4.7
261.16412	1.4
263.17950	2.8
265.19415	2.5
267.17416	0.5
267.21109	3.5
271.20554	1.0
277.19614	1.9
279.21106	1.7
281.19141	0.6
281.22635	1.1
283.20657	0.9
287.05389	0.8
289.19440	0.9
291.17490	0.6
291.20978	1.6
293.18985	0.9
293.22562	1.3
295.20526	0.9
295.24149	1.0
297.18719	1.1
297.22247	1.9
299.20270	0.7
299.23569	0.6
305.19147	0.6
305.22552	1.4
307.20642	1.4
309.22192	1.7
311.20035	0.9
311.23654	0.7
313.25327	0.6
314.76935	0.5
319.20493	1.3
319.24075	1.0
321.22086	4.9
321.25470	0.7
323.23749	2.8
325.21716	1.0
327.23227	0.7
333.21909	0.7
333.25754	0.7
335.23633	4.2
337.21780	1.0
337.25397	1.9
339.23203	2.6
347.23782	0.7
349.25290	3.2
351.23203	0.8
351.26846	2.9
353.24820	1.7
355.26120	0.7
363.26755	2.9
365.28473	2.6
367.26355	1.7
375.30670	1.2
377.28442	1.8
379.30124	1.9
381.27908	0.9
390.29514	0.6
391.30005	2.3
393.31653	1.6
395.29352	1.3
403.29956	0.9
405.31552	1.5
407.33386	1.0
409.31146	3.6
417.31625	0.7
419.28860	0.9
419.33905	0.8
421.30817	0.7
423.32718	2.6
429.31708	1.7
431.33121	0.6
433.31131	1.2
435.32809	0.8
437.34290	1.3
443.33038	0.7
447.32599	7.9
449.33878	0.9
457.34869	0.6
461.34045	3.1
467.34958	0.6
475.35684	1.6
479.35495	1.0
493.36914	0.8
499.39337	8.6
517.40436	66.0
518.40997	1.9
535.41479	100.0
536.41888	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.0
55.01875	2.8
55.64714	0.5
57.03433	1.6
61.02909	1.2
63.77160	0.4
65.03954	2.5
67.05496	1.1
68.99799	1.8
69.03433	8.3
70.06587	0.6
71.04983	1.2
71.14549	0.9
73.02914	2.1
77.15263	0.5
79.05493	3.4
81.02982	0.8
81.03426	9.5
81.07054	2.4
84.93211	0.4
85.02914	18.0
85.03436	0.8
87.00837	6.4
91.03986	0.9
91.05471	1.1
91.55017	0.5
93.03369	0.8
93.07060	0.7
94.04181	1.0
95.04976	1.0
95.08595	0.6
97.02896	6.5
97.06504	0.5
99.04453	3.7
103.03935	0.6
105.01871	4.5
105.07040	1.0
107.04980	1.0
109.02892	9.0
109.06519	9.6
110.56554	0.5
111.04448	2.1
117.01864	1.5
119.08557	0.8
121.02863	1.3
121.06532	1.0
123.04494	0.8
123.08091	0.5
127.03930	13.1
129.01854	1.9
131.04980	0.8
133.02870	0.7
133.06479	0.5
135.07988	0.4
137.05988	100.0
138.06342	0.7
139.03912	47.1
145.02887	0.5
145.05003	5.3
145.06099	0.8
147.02888	1.5
147.04468	1.4
147.98338	0.5
149.05997	1.4
151.03882	1.0
153.05498	1.7
159.02895	6.1
161.06001	10.2
161.07298	0.3
162.06778	1.1
163.03937	5.8
163.07463	0.6
167.07047	0.6
171.04475	0.6
175.07495	1.2
177.05504	2.1
179.03433	1.7
179.07051	3.1
181.04988	1.2
191.07050	0.7
198.06776	0.8
199.07565	0.5
201.05626	0.6
203.07072	1.6
205.04924	1.0
205.08475	0.5
211.07600	0.7
213.05560	0.7
213.09045	0.5
227.07130	0.7
231.05052	2.0
241.08586	1.2
247.06004	0.6
257.08148	0.8
259.09717	0.9
269.08136	2.2
269.19012	0.5
271.06046	0.6
285.07587	1.7
286.08612	0.6
287.05670	2.3
287.09122	23.1
288.09457	0.6
293.08044	0.6
299.09152	2.8
311.09247	3.4
329.10226	4.6
349.10849	0.6
351.07367	0.8
353.10281	2.1
377.10153	0.9
395.11307	4.3
481.11884	0.5
499.12183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1086
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
54.75114	0.1
66.59684	0.1
67.01874	0.5
68.99806	0.4
69.03436	0.1
70.68691	0.2
70.69061	0.2
81.03408	0.2
89.03926	0.2
101.33668	0.1
103.82475	0.1
109.02902	0.1
111.00786	0.1
117.03385	0.2
117.09673	0.1
118.81570	0.1
127.03937	0.2
129.01859	0.2
135.04434	1.7
137.02353	0.4
150.66391	0.1
153.01837	5.3
161.02339	0.6
163.75735	0.1
167.07057	0.1
171.02882	0.4
173.05962	0.1
179.03416	0.3
185.05971	0.1
213.05528	0.2
219.06554	0.1
232.96675	0.1
241.04880	0.5
263.05606	0.2
269.04449	0.4
286.04745	0.1
287.05505	100.0
288.05881	1.0
449.10782	1.3
491.10962	0.1
517.09424	0.2
522.94995	0.1
535.10779	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	535.1086
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03929	0.7
55.01857	0.5
55.05498	0.2
57.03428	0.5
61.02919	0.4
65.03912	0.3
67.05515	0.3
68.99766	0.4
69.03078	0.2
69.03427	2.5
69.78122	0.7
69.78526	0.3
70.06584	0.5
71.05003	0.3
72.08134	0.5
73.02886	0.6
76.02196	0.2
81.03417	2.9
81.07041	0.2
81.79667	0.2
85.02912	3.3
86.09705	0.2
87.00835	1.7
87.04438	0.2
89.06036	0.2
91.03933	0.2
91.05484	0.3
92.34784	0.2
93.03399	0.3
93.07011	0.2
95.04971	0.3
97.02895	1.5
99.04435	0.8
103.03926	0.5
105.01867	0.7
105.07063	0.2
109.02876	2.2
111.04466	0.3
117.01850	0.3
121.02872	2.5
123.04417	0.5
127.03916	2.0
129.01888	0.2
133.08633	0.2
137.02342	6.1
137.05972	0.3
141.07001	0.2
145.04945	0.5
145.06479	0.2
147.04420	0.3
149.02362	2.4
150.03096	0.2
153.01814	0.3
157.06480	0.6
159.02931	1.1
161.05952	0.3
163.03882	0.4
167.03400	0.5
167.04915	0.2
167.06960	0.3
172.52618	0.2
175.07500	0.3
185.05997	2.4
191.03372	0.3
197.06065	0.3
203.07005	0.5
211.07536	0.2
213.05481	4.8
217.04871	0.2
223.03990	0.3
231.06697	1.3
241.04968	2.6
258.05255	0.5
259.06046	0.4
269.04398	1.0
287.05496	100.0
288.05734	1.1
373.13809	0.2
535.18433	0.3
535.30255	0.3
543.18500	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	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	27.7
57.03440	7.9
57.07071	10.4
57.59458	2.7
61.02918	9.2
67.05508	84.5
69.03435	2.8
69.07069	31.6
69.80250	16.5
71.08634	8.2
79.05494	27.1
81.07057	100.0
83.08630	22.9
84.02742	3.1
84.76830	2.7
85.02905	6.9
85.06529	4.0
91.03957	2.5
91.05475	19.9
93.07056	27.7
95.08611	84.7
97.06535	8.0
97.10169	16.3
98.09684	11.7
98.20677	2.9
99.08102	4.0
103.93211	2.7
105.07030	12.1
107.08617	18.7
109.10173	38.5
111.08103	5.5
119.08607	15.4
121.10160	23.6
122.77283	3.1
123.11709	24.8
125.09644	3.0
133.10143	17.2
135.11719	13.0
137.13245	9.9
141.11057	2.7
141.12766	6.1
147.11716	14.1
149.13248	10.8
151.14807	5.0
155.14268	3.8
161.13283	13.1
163.14841	16.3
165.16406	10.0
175.14865	10.4
179.17957	9.9
186.32533	2.9
189.16469	4.0
196.07404	15.2
206.06535	3.0
207.17424	3.1
219.47635	3.4
245.22656	69.3
245.47298	2.7
251.18201	3.1
263.23697	88.7
337.23373	2.1
337.27377	58.5
355.28723	4.6
361.60947	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	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.7
57.07062	5.2
61.02907	3.3
67.05506	56.4
69.07058	16.3
70.62778	6.5
70.63132	7.8
71.08603	5.8
79.05489	17.3
81.07063	65.0
83.07353	11.7
83.08609	14.9
85.02891	4.6
91.05476	9.9
93.07061	17.7
95.08608	49.2
97.06536	5.9
97.10172	9.3
98.09109	5.8
98.09704	84.3
105.07018	8.2
107.08584	12.2
109.10162	18.8
111.08095	4.4
116.09902	5.3
116.10735	100.0
119.08590	8.2
121.10148	10.9
123.11692	5.5
133.10081	9.9
133.11003	4.1
135.11671	8.3
137.13266	6.5
147.11673	8.8
149.13313	7.3
151.14825	4.4
161.13271	8.9
163.14821	7.4
165.16367	6.6
175.14828	4.4
179.17873	4.8
192.56711	4.7
196.07376	57.1
208.27124	3.6
245.22668	26.2
263.23703	42.1
305.24814	3.6
311.24417	4.0
337.27512	19.5
373.35840	4.2
389.26636	5.0
407.27774	5.5
450.40515	4.1
518.84753	3.7
534.35266	20.4
534.42572	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	534.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53920	2.9
55.05505	7.7
57.03416	3.2
65.03921	3.0
65.26901	2.5
67.05518	18.2
67.19727	2.6
69.03418	8.4
69.07059	11.2
69.31116	19.3
69.31532	6.1
70.06599	16.6
71.04995	15.3
75.96806	3.0
76.02213	6.1
79.05479	12.8
81.03424	3.8
81.07063	29.8
83.08641	2.2
85.02888	6.9
85.06554	4.5
91.05472	11.1
91.65057	2.6
93.07060	23.3
95.04982	5.9
95.08617	18.9
97.02892	5.9
97.06496	4.4
99.04417	2.5
99.08122	2.3
105.07046	23.2
107.04945	3.7
107.08580	19.4
109.02885	5.2
109.10162	38.6
111.11686	3.5
116.01652	3.8
117.07061	4.4
119.08585	19.6
121.06476	6.1
121.10154	54.0
123.08118	2.7
123.11691	7.4
125.09622	10.6
127.07543	3.2
127.11137	3.6
131.08556	9.4
133.10139	23.2
135.08128	2.6
135.11710	16.9
137.05942	5.1
137.09621	23.8
137.13240	2.9
139.11179	14.0
143.08563	6.3
145.10149	14.9
147.08069	5.6
147.11650	7.7
151.11066	3.5
153.05469	11.5
154.05823	3.8
155.08514	2.9
157.10101	9.5
159.11708	8.2
161.09631	24.6
161.13290	5.1
162.02226	3.0
163.11163	11.0
165.09102	17.7
165.12856	3.1
167.52766	2.6
169.10025	3.2
171.11667	8.3
173.09645	6.7
173.13277	13.2
175.11201	21.6
175.14883	3.2
177.09099	2.7
177.12808	2.9
179.04884	7.4
179.10689	3.0
182.10835	3.6
185.13272	4.3
187.11224	4.0
187.14833	6.1
197.13248	11.7
199.14763	5.1
202.77840	3.0
203.14319	6.4
205.08653	3.8
205.12265	3.2
206.08908	4.6
207.67062	2.5
209.13254	2.8
211.14799	5.4
213.12842	6.5
213.16350	12.7
215.14297	17.0
227.14401	4.1
231.17467	18.3
233.15363	4.6
255.21162	3.7
257.15085	2.8
273.22144	5.7
283.20557	26.0
284.16577	4.4
285.07626	2.5
286.08008	4.3
287.05447	4.6
301.21609	100.0
302.17786	3.0
319.22672	94.2
320.22678	3.1
337.23819	6.3
348.81091	2.8
354.95895	2.6
387.19467	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	533.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35973	3.0
53.03945	12.4
55.01866	6.5
55.05518	21.9
57.03445	5.7
57.07079	6.2
61.02931	4.6
67.05506	35.8
68.99777	13.0
69.03433	28.7
69.07069	29.8
69.84875	15.9
70.06564	3.9
71.05004	4.7
73.02917	4.4
79.05499	46.3
81.03414	33.2
81.07061	72.4
83.04988	4.6
83.08604	11.1
85.02509	3.4
85.02917	45.6
87.00845	17.8
90.78422	3.4
91.05478	37.4
93.07053	40.8
95.04954	15.0
95.08610	69.6
97.02890	17.0
97.06529	7.3
97.10146	7.1
99.04466	9.1
103.03956	7.8
103.05440	3.7
105.01860	7.1
105.07034	100.0
107.04971	27.5
107.08605	43.9
109.02883	24.8
109.06496	4.7
109.10160	34.1
111.04450	8.0
117.07021	11.0
119.07802	5.3
119.08593	79.6
121.06487	6.2
121.10152	27.8
123.04440	6.8
123.08085	6.5
123.11724	10.7
125.05973	13.9
127.03908	33.5
129.01839	15.5
129.07005	8.4
130.07758	6.6
131.08566	54.8
133.06494	9.3
133.10146	44.2
135.04391	7.8
135.11691	11.7
137.06004	7.1
137.13255	4.7
138.03067	3.6
142.07703	3.7
143.08557	18.9
145.06541	4.5
145.10135	80.3
147.02907	9.8
147.04385	4.6
147.08060	6.2
147.11722	30.2
149.09616	4.4
149.13300	11.9
153.05493	20.1
155.08559	7.2
156.09303	3.8
157.10088	24.1
159.08075	4.4
159.11699	32.8
161.09644	8.3
161.13280	17.9
163.11240	4.2
163.14813	6.2
169.10103	9.7
171.08134	4.3
171.11702	21.1
173.09677	8.0
173.13258	26.6
175.11293	8.7
175.14832	90.8
182.10977	6.0
183.11719	10.5
185.13284	10.7
187.11206	5.3
187.14865	17.8
189.03963	11.5
189.09044	7.8
189.16486	4.2
195.11757	6.2
197.13246	18.4
199.14854	14.8
201.12802	6.5
201.16397	14.3
203.14340	32.2
203.18158	5.3
209.13274	8.4
211.14857	13.7
213.16393	11.2
215.14346	5.3
221.13362	3.9
225.16435	10.1
227.17949	11.7
241.19487	9.2
243.21046	7.5
253.19563	3.9
257.22626	12.4
267.21072	64.9
279.21069	6.2
281.22653	9.6
285.22159	92.8
291.21179	3.7
293.22659	6.1
297.22119	3.7
305.22571	5.5
318.66718	3.4
329.22717	6.6
347.23615	7.8
393.23911	5.1
505.27771	8.2
533.20416	5.7
533.27417	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01870	1.5
57.03421	1.0
59.04995	1.0
61.02906	0.8
61.09162	0.8
65.03907	0.7
67.05497	0.9
68.99815	1.1
69.03431	3.5
70.06595	4.4
72.08163	6.5
73.02918	2.0
77.03948	0.9
78.04704	2.9
79.05497	9.1
81.03410	3.7
81.07061	1.9
83.04976	0.8
84.04489	0.9
84.08143	1.4
85.02907	4.9
86.09727	1.9
91.05473	5.7
93.07042	2.0
95.04974	2.9
95.08598	1.5
97.02912	4.2
97.06511	1.0
98.20779	1.8
99.04488	1.0
103.03918	1.2
103.05465	3.3
104.06284	0.7
105.03381	0.8
105.07033	7.3
106.04159	1.0
107.04958	13.4
109.02879	2.3
109.06551	1.1
109.10136	0.9
115.05461	2.7
115.54485	0.8
117.06992	1.1
118.04163	1.7
119.04968	2.0
119.08582	2.9
121.02824	0.8
121.06513	1.3
121.10149	1.1
123.04422	6.3
124.05208	4.1
125.05977	2.2
127.03926	2.9
128.06238	2.7
129.07018	5.1
131.04933	3.5
131.07037	1.4
132.05711	2.6
133.06505	5.1
133.10098	1.0
135.04434	1.1
135.08058	1.4
137.02374	1.9
137.05992	2.2
139.03796	0.9
141.07056	1.1
143.04938	1.1
144.05615	1.1
145.02885	1.2
145.06464	2.1
147.04390	1.1
147.08063	3.0
147.11794	1.0
149.05930	1.8
149.09601	0.8
151.03908	3.4
152.04669	2.7
153.05521	4.1
153.06651	0.8
155.07048	1.1
156.05717	1.1
159.08073	6.0
160.05179	1.6
161.05998	9.7
163.03944	2.2
163.07544	1.2
167.07053	100.0
169.06516	1.5
171.08029	1.4
172.05202	2.8
175.07564	22.9
176.04709	2.0
177.05492	2.6
178.07758	1.9
179.08624	0.9
181.06554	0.9
187.07553	19.0
187.11092	0.9
189.07121	1.0
189.09065	1.9
190.07880	1.8
191.07050	7.8
191.08565	1.4
195.07915	1.3
199.07532	8.8
202.07774	2.4
203.08524	2.9
204.09338	0.8
205.06593	1.1
206.07297	2.0
209.08241	1.9
215.08594	1.8
217.08557	1.5
218.07202	1.8
219.08121	1.7
220.08925	1.2
221.09628	2.8
225.05515	1.1
229.04915	1.6
231.08069	2.5
232.08916	1.0
233.09612	2.8
234.06767	2.1
235.07422	2.0
242.05792	1.5
246.06822	1.9
247.07582	2.2
248.08372	1.1
249.09117	5.6
250.09889	0.9
251.07059	1.4
261.09177	4.2
263.07022	2.3
270.05200	3.5
274.06262	1.2
277.08469	4.0
278.09305	2.1
281.11740	6.0
285.07605	22.6
289.08685	2.9
290.09421	1.2
291.06735	1.1
291.10178	1.1
293.11661	3.6
294.08752	0.8
303.05038	3.1
306.09000	1.2
307.09705	1.6
309.11191	6.9
315.04959	2.4
321.11282	9.4
322.11850	1.0
325.14200	1.8
326.11554	2.4
327.05072	4.3
341.13876	18.6
353.13858	10.3
354.22430	0.8
356.54843	0.9
365.06705	0.9
369.06107	2.5
371.15213	2.0
371.25522	1.4
390.36981	0.7
411.07141	2.1
489.10617	1.0
515.08264	0.8
533.08887	2.0
533.18530	0.7
533.31067	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01862	1.7
55.05511	0.9
56.05036	0.5
57.03441	3.1
59.05001	1.2
59.86514	0.5
61.02926	3.8
65.03938	0.9
66.22931	0.4
67.05503	1.8
68.00511	0.4
68.99790	1.0
69.03082	0.9
69.03436	15.7
69.07063	1.3
70.06591	1.0
71.01360	0.5
71.04983	1.7
71.55595	0.7
72.08134	0.9
73.02912	1.6
74.24999	0.4
79.05495	2.8
81.03416	5.9
81.07052	2.1
83.01322	0.5
83.04985	0.9
85.02911	28.8
86.09671	1.0
87.04454	1.5
88.04795	0.4
91.03953	1.2
91.05492	3.7
93.03395	0.5
93.07040	1.8
95.04967	1.3
95.08606	1.6
97.02899	10.9
97.06516	1.1
99.04454	2.5
101.02390	0.5
103.05429	0.5
105.03431	0.5
105.07004	1.5
107.04966	2.3
107.08591	1.9
109.02884	5.7
109.06498	0.7
109.10149	1.3
110.03657	0.6
111.04469	0.6
117.07005	1.1
118.06042	0.5
119.04934	2.5
119.08560	1.7
121.06521	0.9
121.10159	1.2
123.04435	1.7
123.08049	0.5
125.05991	1.7
127.03931	6.4
129.07027	0.5
131.04980	0.5
131.08578	1.9
133.02846	0.7
133.06432	1.2
133.10101	1.1
135.04419	2.0
135.08037	1.0
135.11713	0.7
137.02324	0.7
137.05986	2.5
138.03140	6.5
143.08565	0.8
145.05002	2.9
145.10123	0.9
147.04437	6.5
147.11722	1.1
149.02335	1.0
149.06052	0.6
149.09631	0.8
149.13266	0.7
151.03958	1.1
153.05476	100.0
154.05835	1.1
157.10165	0.7
159.08083	1.7
159.11681	0.7
161.06012	1.6
161.09656	0.7
163.03923	2.1
163.07553	11.6
165.05443	0.9
167.03409	1.7
167.07069	1.4
169.04906	1.8
175.03894	2.5
175.07565	2.0
177.05510	1.0
177.09111	4.2
179.07069	2.5
181.06488	0.9
186.69203	0.5
187.07539	2.9
189.09131	1.9
190.06268	0.6
191.14253	0.6
193.05005	0.5
201.05620	0.5
203.10670	0.6
205.08615	49.2
206.08913	0.9
227.07001	0.7
231.10165	4.2
269.08109	0.5
275.24094	0.6
282.05432	0.8
285.07593	5.8
287.09207	1.1
297.07452	2.5
315.08655	3.7
329.13959	1.0
353.13864	1.7
371.14911	29.1
371.58496	0.4
468.41730	0.6
533.19940	1.8
533.39893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01865	1.7
57.03433	3.1
59.04988	0.9
61.02931	3.6
65.03939	1.1
65.72627	0.4
67.05515	0.7
67.34267	0.4
68.99783	1.5
69.03429	15.5
69.07067	5.2
69.40936	3.5
70.06586	0.5
71.01361	0.8
71.04986	1.4
72.08147	1.0
73.02904	2.1
79.05488	2.2
81.03421	6.3
81.07041	1.0
82.04140	0.5
84.04488	1.0
85.02907	30.4
87.04473	3.0
91.03953	1.7
91.05477	3.2
93.03436	0.8
93.07041	0.6
95.04967	1.4
95.08611	0.7
95.49478	0.4
97.02895	9.1
98.21489	0.6
99.04447	2.9
101.02412	0.6
102.05546	0.5
105.07021	1.6
107.04984	3.2
107.05649	0.7
107.08591	0.5
107.67979	0.4
109.02209	0.8
109.02879	7.8
109.06490	0.5
109.10166	0.6
110.03651	0.6
111.04408	0.5
117.06990	0.9
119.04967	3.1
119.08634	0.4
121.02858	0.8
121.06481	1.0
121.10160	0.4
123.04424	1.6
125.05997	1.3
127.03924	5.6
131.08566	0.8
133.02843	1.2
133.06485	1.2
135.04414	3.5
135.08083	0.7
137.05989	1.9
138.03110	6.9
139.03952	0.5
140.04692	0.5
141.05455	0.6
141.06947	0.5
143.76530	0.4
145.04959	3.8
145.06540	1.1
145.10115	0.7
147.04411	13.2
148.05276	0.5
149.02327	2.8
149.05991	0.8
151.03938	1.0
152.01028	0.5
153.05467	100.0
154.05800	0.6
159.08020	2.2
161.05978	1.6
163.03943	1.2
163.07542	12.5
165.05498	1.4
166.06294	0.5
167.03389	3.1
167.07082	0.5
169.04959	4.2
174.05756	0.5
175.03888	3.3
175.07552	1.5
177.05508	1.2
177.09093	5.5
179.07024	3.6
183.07938	0.5
185.09627	0.7
187.07506	3.0
189.05606	0.6
189.09102	1.6
193.04947	1.2
195.06549	0.7
203.10646	1.3
205.08603	53.5
206.09041	0.5
211.07663	0.5
213.05455	0.7
226.06363	0.8
227.06902	0.5
229.08640	1.1
231.10161	8.6
237.05589	0.8
241.08450	0.6
254.05811	0.6
255.06601	1.1
269.04529	0.7
269.07950	1.3
270.05212	0.7
277.96014	0.5
282.05219	1.7
285.07568	12.6
287.09146	4.5
297.07544	11.0
302.07986	0.6
313.10852	0.5
315.08582	5.7
329.13907	0.5
338.11319	0.5
343.96014	0.4
350.23123	0.5
353.13919	3.4
371.14886	61.2
372.15158	1.0
395.35416	0.4
483.70187	0.5
533.12671	0.6
533.19971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1294
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
53.03925	0.1
57.03434	0.1
57.49085	0.1
61.02883	0.2
61.81271	0.1
67.05473	0.2
69.03404	0.5
70.06594	0.7
71.04981	0.1
71.54797	0.2
72.08128	0.4
72.89018	0.1
79.05460	0.3
81.03387	0.5
81.07025	0.4
83.04973	0.2
84.08130	0.2
85.02911	1.1
85.06523	0.2
86.09687	0.2
89.16747	0.1
91.05448	0.6
93.07021	0.3
95.04971	0.2
95.08601	0.2
97.02904	0.9
97.06516	0.2
99.04416	0.2
103.03916	0.1
105.03326	0.1
105.07042	0.3
107.04972	0.2
107.08585	0.3
109.02824	0.3
109.10120	0.3
111.04379	0.2
115.03871	0.1
115.05450	0.1
116.30070	0.1
117.03384	0.2
117.06923	0.2
119.04962	0.2
119.08543	0.2
120.08141	0.2
121.06487	0.2
121.10132	0.3
123.08096	0.2
124.07606	0.1
127.03900	0.5
131.04883	0.2
133.06506	0.2
133.10156	0.7
134.03641	2.4
135.08011	0.3
135.11702	0.1
137.02339	5.8
137.05942	0.2
137.09605	0.4
137.10638	0.1
141.06964	0.6
145.06476	0.2
147.04405	0.6
151.46956	0.1
153.05463	0.5
154.02615	0.2
155.04832	0.2
161.05948	0.3
163.03955	0.2
163.73027	0.1
167.07065	0.2
169.06447	0.8
175.03943	0.2
177.05511	0.3
181.06483	0.3
183.04381	0.4
185.05948	0.3
186.06726	0.5
186.79799	0.1
187.03838	0.2
191.14270	0.2
196.05153	0.2
196.20616	0.1
197.06000	1.9
201.05508	0.2
205.08545	0.2
207.07835	0.1
209.07976	0.1
211.07635	0.2
213.05484	3.3
214.06258	3.1
224.04669	0.2
225.05472	7.1
226.05846	0.2
229.08600	1.6
241.04962	0.2
242.05769	0.9
252.04321	0.2
253.04961	7.8
257.08157	0.4
269.04468	2.4
269.07568	0.2
270.05231	18.1
271.05939	1.1
277.12283	0.2
285.07571	100.0
286.07962	1.5
305.11685	0.3
309.11441	0.2
323.12680	0.9
341.13947	0.3
353.31537	0.1
371.14859	0.3
515.18744	0.2
533.13000	0.5
533.20105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.1
55.01865	0.1
57.03421	0.1
59.46469	0.1
61.02912	0.2
65.03928	0.2
67.05489	0.2
69.03426	0.5
69.07051	0.2
70.06582	0.3
70.87194	0.3
71.04982	0.1
72.08143	0.1
79.05488	0.3
81.03402	0.4
81.07040	0.2
85.02899	1.0
91.05479	0.4
93.07056	0.2
95.01294	0.1
95.04974	0.2
95.08611	0.2
97.02867	0.5
99.04440	0.1
105.03376	0.1
105.07031	0.3
107.04957	0.6
107.08586	0.1
109.02873	0.4
109.10120	0.1
118.04111	0.2
119.04942	0.4
119.08560	0.2
121.02885	0.2
121.06509	0.4
123.00776	0.7
123.04420	1.0
124.01555	0.2
124.33209	0.1
125.02307	0.2
125.05988	0.1
127.03893	0.4
133.02850	0.2
133.06474	0.4
135.04436	0.2
135.08003	0.1
137.02301	0.1
137.05962	0.3
138.03120	0.4
139.03862	0.1
140.06200	0.2
141.06950	0.2
145.04947	0.3
145.10144	0.2
147.04436	1.0
148.05132	0.1
149.02371	0.3
149.05969	0.1
152.01045	4.6
152.06210	0.3
153.01875	0.7
153.05469	6.4
153.06903	0.5
155.08502	0.1
157.06490	0.3
158.07234	0.2
163.03972	0.2
163.07550	0.5
167.03400	0.4
167.07054	0.2
168.05690	1.5
169.01241	0.2
169.04965	0.2
169.06410	0.2
170.02122	1.9
171.08003	0.2
175.03926	0.3
177.09142	0.2
179.03348	0.2
179.06956	0.2
181.06429	0.2
183.08054	4.0
186.06764	0.5
187.07489	0.1
189.08994	0.2
196.05154	1.0
197.05966	0.3
198.06812	0.2
205.08603	2.4
211.07552	3.8
213.05473	0.6
213.09018	0.1
214.06264	0.7
224.04631	0.2
225.05446	0.2
226.06256	0.1
229.08594	8.4
231.10188	0.5
239.07056	1.7
241.04948	0.3
242.05754	1.5
253.04965	1.4
257.08072	0.2
267.06284	0.1
269.04425	1.8
270.05222	2.3
283.06039	0.2
284.06342	0.3
285.07571	100.0
286.07895	1.9
287.09283	0.2
297.07452	0.5
298.65033	0.1
315.08698	0.3
346.38516	0.1
353.13824	0.2
371.14874	3.2
434.63968	0.2
451.47940	0.1
533.12848	0.3
533.21002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1292
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
51.37845	0.1
53.03943	0.1
57.03409	0.1
63.02910	0.1
65.03914	0.3
68.99743	0.1
69.03394	0.4
69.07075	0.9
69.29302	0.7
70.06549	0.1
72.08119	0.1
77.76423	0.1
79.05469	0.2
79.07427	0.1
81.03383	0.3
81.07026	0.1
83.04961	0.1
85.02885	0.3
86.09669	0.1
91.05437	0.4
93.03401	0.3
93.07037	0.3
95.04965	0.3
95.08594	0.1
97.02849	0.4
97.06538	0.1
98.20621	0.1
103.05470	0.1
105.03403	0.2
105.06998	0.3
105.97826	0.1
107.04959	0.8
109.02868	0.7
110.03604	0.1
118.04146	0.3
119.04928	0.4
121.02793	0.1
121.06482	0.3
123.00793	0.7
123.04434	1.1
124.01558	0.2
126.03158	0.1
127.03890	0.2
129.06911	0.1
131.04926	0.1
133.02818	0.3
133.06468	0.3
135.04449	0.6
137.05934	0.3
138.03133	0.1
140.04662	0.1
141.05479	0.2
141.06982	0.1
145.04889	0.1
145.06450	0.2
147.04407	1.7
148.05144	0.2
149.02293	0.4
150.03044	0.1
151.00221	0.1
151.03914	0.2
152.01053	5.4
152.06201	0.3
153.01831	0.9
153.04338	0.1
153.05444	1.9
153.06921	0.5
157.06441	0.1
158.07162	0.1
163.03854	0.2
165.06961	0.1
167.03421	0.5
167.07066	0.2
168.05714	1.2
169.04948	0.8
169.06418	0.2
170.02113	1.5
175.03879	0.1
177.05389	0.2
179.03395	0.2
181.06439	0.3
183.08052	3.9
185.05954	0.1
186.06746	0.6
193.04951	0.2
196.05176	1.1
197.05968	0.4
198.06685	0.2
201.09158	0.2
205.08569	0.6
209.05878	0.1
209.15439	0.1
211.07539	3.7
213.05505	0.5
214.06235	0.7
224.04666	0.1
225.05457	0.3
226.06169	0.3
229.08601	7.6
231.10199	1.3
237.05487	0.2
239.07036	2.2
239.09279	0.2
241.04976	0.3
242.05775	1.6
253.04927	1.3
255.06516	0.2
256.07205	0.2
257.08075	0.3
269.04456	1.7
269.07962	0.3
270.05215	2.4
282.05167	0.1
283.06036	0.2
284.06821	0.1
285.07568	100.0
286.07935	1.4
287.09143	0.8
297.07562	1.9
302.07703	0.2
315.08401	0.5
353.13922	0.3
371.14886	8.8
447.12781	0.4
489.14041	0.4
533.12891	4.7
534.13135	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
54.21268	0.2
55.01866	0.4
59.05004	0.3
61.02911	0.2
65.03939	0.1
67.05505	0.3
68.99786	0.3
69.03426	1.4
69.07079	0.2
70.06583	0.4
71.04995	0.3
71.55672	0.2
72.08164	0.3
73.02912	0.3
79.05470	0.2
81.03419	1.6
81.07063	0.3
84.04512	0.2
84.08143	0.2
85.02918	1.9
85.06538	0.2
87.00812	0.7
89.03924	0.2
91.05473	0.4
93.07062	0.3
95.04982	0.2
95.08591	0.3
97.02907	1.1
97.06519	0.2
98.55109	0.2
99.04431	0.3
105.01876	0.2
105.07046	0.3
107.04943	0.4
107.08579	0.1
109.02868	0.6
109.06501	0.2
111.08038	0.2
119.04943	0.4
121.06557	0.3
123.11705	0.2
124.45883	0.2
127.03930	1.2
134.03625	2.5
137.02344	6.9
137.05937	0.3
141.06984	0.7
145.04956	0.4
147.04431	1.2
147.11633	0.2
148.07596	0.2
149.05988	0.2
151.03873	0.3
153.04469	0.2
153.05487	1.0
153.06693	0.2
154.02580	0.2
155.04982	0.3
156.65265	0.2
158.07326	0.2
159.02937	0.2
163.03894	0.3
167.07048	0.5
168.05728	0.2
169.06519	0.9
173.06062	0.2
175.03885	0.3
175.07698	0.2
181.06522	0.5
183.04361	0.6
185.05983	0.3
186.06776	0.7
196.91705	0.2
197.05972	1.9
205.08595	0.3
213.05470	3.5
214.06274	3.1
215.06943	0.2
225.05481	6.6
229.08635	1.3
241.04924	0.3
242.05704	0.9
253.04967	7.6
257.08151	0.4
258.09064	0.2
267.06464	0.3
269.04489	2.7
269.07224	0.2
270.05240	17.0
271.05676	0.4
285.07590	100.0
286.07944	2.3
297.07700	0.3
309.07733	0.2
353.14026	0.2
370.70844	0.2
371.14786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.5
57.03442	0.2
58.06312	0.2
58.06592	2.6
58.06870	0.2
67.05505	0.6
68.05022	0.1
69.07076	0.4
69.74837	0.7
79.05490	0.2
81.07063	0.6
82.05141	0.1
82.06578	2.0
82.07305	0.1
83.07365	7.9
83.14080	0.1
84.25716	0.1
85.75251	0.1
90.02504	0.1
91.05476	0.2
93.07034	0.2
95.08618	0.4
96.08105	0.1
96.17641	0.1
98.09698	85.9
99.10008	0.6
109.10167	0.2
116.10733	3.3
121.10138	0.2
177.11357	0.1
196.07350	100.0
197.07764	0.5
209.93085	0.1
213.23763	0.1
215.78154	0.1
236.87572	0.1
270.10995	0.3
337.27319	0.2
514.33075	1.0
532.27295	0.2
532.34015	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	532.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	5.4
53.03936	8.0
54.48446	4.2
55.05516	21.3
57.03466	4.9
67.05172	6.8
67.05509	84.8
68.61114	4.7
68.97315	4.4
69.03426	19.3
69.07074	22.7
69.63078	4.2
70.11125	22.7
71.05000	5.2
79.05499	91.8
81.03425	9.5
81.07064	98.2
83.05019	5.1
83.08607	17.5
85.02893	10.0
91.05482	51.3
93.07053	100.0
95.04987	11.5
95.08620	77.9
97.02895	10.6
97.10175	5.1
98.09732	8.2
105.07031	39.9
105.91258	4.9
107.08614	55.0
109.06566	5.5
109.10162	33.4
111.04479	4.7
116.10727	14.8
117.07038	19.1
119.08595	34.7
121.10146	46.5
123.11732	16.7
125.09657	4.8
129.07008	9.9
131.08572	35.2
133.10141	23.1
135.11688	36.5
137.13272	7.0
143.08627	7.3
145.10086	24.5
147.11737	25.8
149.13231	27.9
153.12564	5.4
155.08554	9.0
157.10173	7.0
159.11699	23.2
161.13254	19.9
163.14870	11.2
173.13277	24.2
175.14851	9.4
187.14844	13.1
196.07460	7.8
199.14815	7.8
243.21082	40.0
261.22156	85.2
277.21841	4.8
279.23282	5.7
289.21683	7.9
301.21774	5.8
303.23141	6.9
313.14615	5.7
315.23209	7.8
327.23294	5.5
335.25739	9.2
349.23422	5.2
353.26959	18.9
369.24307	26.6
387.25381	14.3
405.26300	18.7
423.27591	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	531.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01866	1.0
55.05514	1.0
57.03431	0.7
61.02941	1.8
65.03935	1.5
67.05489	1.3
68.99792	2.9
69.03419	1.3
69.07059	0.6
70.06590	1.4
71.05000	0.6
71.98470	0.4
72.08154	1.4
72.79173	0.4
79.05505	3.1
80.04968	0.3
81.03412	2.1
81.07058	2.2
82.04194	1.1
83.04990	0.7
84.08132	0.6
85.02908	3.9
85.06533	0.4
86.09673	0.3
87.00819	1.7
91.05486	4.6
92.72858	0.3
93.03369	0.4
93.07035	1.6
95.04973	1.5
95.08627	1.7
97.02913	4.8
97.06538	0.7
99.04459	0.8
103.05453	1.3
105.01842	0.4
105.07035	2.4
107.04937	1.3
107.08602	1.3
109.02890	0.9
109.06518	0.7
109.10155	1.3
110.03674	2.0
111.04446	1.0
111.08134	0.5
115.05441	1.7
117.07030	2.3
119.04937	3.2
119.08585	1.0
120.05674	0.4
120.08104	0.4
121.02856	0.6
121.06510	1.1
121.10146	1.4
123.04431	0.7
123.11739	0.8
125.06016	2.4
127.03953	1.8
128.06244	0.6
129.01816	1.5
129.07008	0.9
131.04938	1.3
131.08621	0.8
132.05769	0.5
133.02867	0.8
133.06514	1.7
133.10158	0.7
135.04442	0.8
135.08061	0.9
135.11647	0.5
137.05983	1.2
137.09633	0.5
138.03128	12.9
141.06996	0.9
142.03154	0.5
142.07849	0.4
144.05740	0.9
145.05006	0.3
145.06491	2.2
145.10127	0.7
147.03154	0.7
147.04414	8.6
147.08069	0.6
147.11722	0.7
148.05289	0.4
149.09669	0.5
151.03931	5.8
151.05037	0.3
151.07538	0.6
153.05478	100.0
154.05795	0.8
155.04926	0.4
157.06473	0.9
159.04434	1.1
159.08060	0.8
159.11749	0.4
160.05263	0.4
161.06001	2.1
161.09601	0.4
162.06760	0.5
163.03931	1.1
163.07567	1.4
165.05496	1.0
167.07076	1.1
169.06526	1.0
169.10175	0.3
171.02963	0.7
171.08142	0.4
172.05193	0.6
173.05992	4.3
174.06763	0.5
175.03940	0.6
175.07562	0.8
176.04697	3.8
177.05449	1.8
179.07048	8.9
179.08557	0.6
181.04980	0.7
181.06438	0.7
183.04472	0.4
185.06000	1.3
187.03934	0.5
187.07574	1.4
189.04063	0.6
189.05501	2.0
189.09172	0.7
190.06285	4.3
191.07068	5.5
197.05949	0.9
199.03882	0.3
199.07538	0.6
200.04770	1.0
201.05490	3.4
201.16513	0.4
203.07021	2.1
204.04219	0.6
205.04941	0.8
205.08662	1.4
207.06555	0.5
213.05525	0.6
213.12828	0.3
215.07051	2.0
217.05008	1.6
217.08659	1.0
218.05763	1.1
219.06546	16.8
219.17456	0.5
225.05464	3.2
227.07076	0.5
228.04231	0.3
229.04918	0.8
229.08673	0.4
231.06580	0.9
233.07983	2.6
237.05508	0.5
241.08479	0.5
243.06558	1.6
245.08083	2.1
246.05328	0.4
247.05986	0.5
249.07689	0.8
253.05016	2.6
255.06625	0.8
257.08124	0.5
261.07599	20.2
263.07007	0.4
269.08151	1.0
275.09213	1.0
279.06079	0.4
279.08795	1.1
281.07968	0.3
283.06042	11.5
287.09030	2.6
293.07962	0.4
313.07117	1.5
313.10449	0.4
321.07440	2.7
337.07120	0.6
347.07669	0.4
353.10031	0.4
355.11856	0.5
365.08698	12.2
367.11655	0.4
369.13309	1.9
381.13535	0.4
385.12888	1.4
391.10098	2.1
399.10693	0.7
409.12817	3.2
427.13895	8.3
458.27533	0.4
460.30753	1.3
487.12512	0.6
531.11127	5.3
531.24487	4.0
531.37256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88552	0.2
65.66262	0.2
67.05502	0.4
68.99794	0.2
69.03424	0.4
69.07030	0.3
69.21701	0.2
69.52254	1.3
70.06595	0.4
75.92598	0.2
79.05491	0.5
81.03409	0.4
81.07064	0.3
85.02927	0.9
86.09682	0.2
89.03921	0.4
91.05502	0.4
95.08591	0.3
97.02893	0.8
98.21492	0.4
104.14399	0.2
105.07040	0.5
109.02833	0.2
109.10131	0.4
115.05453	0.4
119.04904	0.2
119.08559	0.3
121.61761	0.2
125.05998	0.3
127.03885	0.3
129.06981	0.6
138.03140	0.6
141.06966	1.6
144.03876	0.2
145.06392	0.2
147.04381	0.5
151.03914	0.8
153.05470	7.0
155.04892	0.6
157.06529	0.3
165.05482	0.2
169.06511	1.9
171.02948	0.2
177.05528	0.5
179.07100	0.4
181.06551	0.6
183.04417	1.5
190.06285	0.2
191.07074	0.5
197.05978	3.0
203.07187	0.2
207.06551	0.3
219.06570	0.4
225.05479	19.8
226.05873	0.4
227.06976	1.5
233.08052	0.2
243.06575	0.4
253.04968	18.3
254.05165	0.4
255.06731	0.2
261.07587	1.8
283.06021	100.0
284.06403	1.3
313.07339	0.2
365.08746	0.4
427.13739	0.5
531.11414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.01867	0.5
58.12544	0.1
65.03942	1.4
67.05496	0.3
68.99796	0.3
69.03435	0.3
70.30344	0.6
71.01352	0.2
72.08140	0.3
75.94037	0.1
77.74706	0.1
79.05499	1.9
81.03413	0.4
82.04195	0.7
83.04988	0.2
83.15516	0.1
85.02913	0.9
87.00843	0.2
91.05486	2.5
93.03416	0.6
93.07063	0.2
95.04971	0.8
95.08633	0.2
97.02874	0.4
98.01051	0.1
103.05479	0.6
105.03407	0.3
105.07023	1.3
107.04960	1.3
109.02885	0.5
110.03676	1.3
111.04453	0.3
115.05460	1.8
117.03432	0.2
117.07042	1.2
117.58772	0.2
119.04964	0.8
119.08574	0.3
121.06483	0.3
121.60804	0.2
123.04448	1.0
125.06008	2.0
128.06242	2.5
129.07027	1.1
131.04941	0.6
131.08620	0.9
133.02885	0.4
133.06483	0.4
135.04471	0.3
138.03133	10.6
139.10954	0.2
141.07004	0.8
142.07747	0.3
143.04921	0.3
143.08586	1.3
143.92563	0.2
144.05719	0.3
145.06483	1.4
145.10136	0.2
147.04440	1.8
147.08032	0.4
147.43330	0.2
149.02362	0.2
149.05988	0.4
151.03926	0.6
152.06178	0.4
153.05478	100.0
154.05809	0.9
154.07695	0.2
155.06128	0.2
155.08594	0.3
156.05640	0.2
157.06503	0.6
159.04446	0.4
159.08061	1.0
161.06017	1.9
162.03116	0.2
165.05479	0.7
165.06918	0.4
166.06290	0.2
167.03380	0.2
167.08554	0.3
169.06509	0.7
171.08069	2.1
173.05998	4.9
173.09583	0.2
175.03925	0.2
175.07578	0.5
177.05481	1.2
179.07047	0.4
179.08568	0.2
181.06502	0.5
183.08084	0.3
184.05196	0.2
185.05948	1.0
185.09633	0.5
187.07553	3.0
189.05481	0.6
189.09016	0.2
191.07033	0.6
195.08086	0.4
197.06065	0.9
198.06750	0.7
199.07549	3.9
201.05464	1.4
201.09137	1.0
203.06995	1.1
211.07607	0.5
213.05504	0.2
213.09111	1.2
215.07021	4.1
215.09108	0.2
217.05074	0.2
223.07547	0.5
225.05627	0.2
227.07053	3.7
228.07686	0.3
229.08624	0.5
235.07564	0.2
239.06985	0.6
241.08636	0.9
243.06511	1.6
245.08139	0.5
251.07001	0.2
257.08072	3.3
269.08020	1.2
277.08746	0.3
281.08142	0.3
285.07581	0.3
293.07959	0.2
295.09827	0.2
297.11008	0.2
301.10724	0.3
307.09741	0.2
313.10706	3.0
323.08957	0.2
325.10535	0.8
327.12268	0.3
329.06580	0.3
332.10385	0.2
337.10529	0.2
339.12375	0.3
341.10260	0.5
343.11841	0.5
347.07614	0.5
349.10916	0.4
353.13892	0.7
355.11530	0.2
363.12418	0.3
365.09595	0.2
367.11798	31.1
368.12119	0.8
381.13434	1.0
391.11691	1.4
397.12720	0.8
409.12839	15.4
410.13196	0.5
411.67740	0.2
427.13950	1.7
445.14938	2.0
451.14114	0.2
469.14960	0.3
487.15961	0.2
495.12866	0.7
513.13953	6.4
531.14935	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	531.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01866	1.0
55.05514	1.0
57.03431	0.7
61.02941	1.8
65.03935	1.5
67.05489	1.3
68.99792	2.9
69.03419	1.3
69.07059	0.6
70.06590	1.4
71.05000	0.6
71.98470	0.4
72.08154	1.4
72.79173	0.4
79.05505	3.1
80.04968	0.3
81.03412	2.1
81.07058	2.2
82.04194	1.1
83.04990	0.7
84.08132	0.6
85.02908	3.9
85.06533	0.4
86.09673	0.3
87.00819	1.7
91.05486	4.6
92.72858	0.3
93.03369	0.4
93.07035	1.6
95.04973	1.5
95.08627	1.7
97.02913	4.8
97.06538	0.7
99.04459	0.8
103.05453	1.3
105.01842	0.4
105.07035	2.4
107.04937	1.3
107.08602	1.3
109.02890	0.9
109.06518	0.7
109.10155	1.3
110.03674	2.0
111.04446	1.0
111.08134	0.5
115.05441	1.7
117.07030	2.3
119.04937	3.2
119.08585	1.0
120.05674	0.4
120.08104	0.4
121.02856	0.6
121.06510	1.1
121.10146	1.4
123.04431	0.7
123.11739	0.8
125.06016	2.4
127.03953	1.8
128.06244	0.6
129.01816	1.5
129.07008	0.9
131.04938	1.3
131.08621	0.8
132.05769	0.5
133.02867	0.8
133.06514	1.7
133.10158	0.7
135.04442	0.8
135.08061	0.9
135.11647	0.5
137.05983	1.2
137.09633	0.5
138.03128	12.9
141.06996	0.9
142.03154	0.5
142.07849	0.4
144.05740	0.9
145.05006	0.3
145.06491	2.2
145.10127	0.7
147.03154	0.7
147.04414	8.6
147.08069	0.6
147.11722	0.7
148.05289	0.4
149.09669	0.5
151.03931	5.8
151.05037	0.3
151.07538	0.6
153.05478	100.0
154.05795	0.8
155.04926	0.4
157.06473	0.9
159.04434	1.1
159.08060	0.8
159.11749	0.4
160.05263	0.4
161.06001	2.1
161.09601	0.4
162.06760	0.5
163.03931	1.1
163.07567	1.4
165.05496	1.0
167.07076	1.1
169.06526	1.0
169.10175	0.3
171.02963	0.7
171.08142	0.4
172.05193	0.6
173.05992	4.3
174.06763	0.5
175.03940	0.6
175.07562	0.8
176.04697	3.8
177.05449	1.8
179.07048	8.9
179.08557	0.6
181.04980	0.7
181.06438	0.7
183.04472	0.4
185.06000	1.3
187.03934	0.5
187.07574	1.4
189.04063	0.6
189.05501	2.0
189.09172	0.7
190.06285	4.3
191.07068	5.5
197.05949	0.9
199.03882	0.3
199.07538	0.6
200.04770	1.0
201.05490	3.4
201.16513	0.4
203.07021	2.1
204.04219	0.6
205.04941	0.8
205.08662	1.4
207.06555	0.5
213.05525	0.6
213.12828	0.3
215.07051	2.0
217.05008	1.6
217.08659	1.0
218.05763	1.1
219.06546	16.8
219.17456	0.5
225.05464	3.2
227.07076	0.5
228.04231	0.3
229.04918	0.8
229.08673	0.4
231.06580	0.9
233.07983	2.6
237.05508	0.5
241.08479	0.5
243.06558	1.6
245.08083	2.1
246.05328	0.4
247.05986	0.5
249.07689	0.8
253.05016	2.6
255.06625	0.8
257.08124	0.5
261.07599	20.2
263.07007	0.4
269.08151	1.0
275.09213	1.0
279.06079	0.4
279.08795	1.1
281.07968	0.3
283.06042	11.5
287.09030	2.6
293.07962	0.4
313.07117	1.5
313.10449	0.4
321.07440	2.7
337.07120	0.6
347.07669	0.4
353.10031	0.4
355.11856	0.5
365.08698	12.2
367.11655	0.4
369.13309	1.9
381.13535	0.4
385.12888	1.4
391.10098	2.1
399.10693	0.7
409.12817	3.2
427.13895	8.3
458.27533	0.4
460.30753	1.3
487.12512	0.6
531.11127	5.3
531.24487	4.0
531.37256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80550	0.3
55.05501	1.2
57.18318	0.3
58.06596	4.5
67.05505	2.0
68.05006	0.3
68.87581	0.3
69.07063	0.6
70.06574	0.3
71.56337	0.6
72.08138	0.3
79.05504	1.3
81.07053	1.3
82.06573	3.0
83.07363	13.1
85.30730	0.3
86.23457	0.3
88.07629	1.7
91.05470	1.0
93.07048	1.2
95.08607	0.9
98.09695	91.5
98.88602	0.3
99.10049	0.3
105.07037	0.8
107.08617	0.6
116.10733	100.0
116.23415	0.3
117.11101	0.5
121.10142	0.4
196.07346	51.2
224.05466	0.3
237.30383	0.3
270.10922	0.7
335.25824	0.5
464.94958	0.4
483.89273	0.3
512.31342	4.2
530.32440	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	530.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	15.0
53.14298	7.1
55.01857	10.8
55.05526	41.0
55.05742	8.0
55.98101	6.5
57.03421	17.6
57.07062	18.3
67.05511	100.0
69.03428	26.9
69.07056	29.8
71.08632	13.4
71.56093	10.2
73.16245	6.9
79.05495	75.5
81.03401	57.1
81.07056	95.9
83.08595	22.9
85.02899	27.1
87.04456	13.0
89.06038	12.1
91.05485	66.0
93.07037	75.4
95.04936	12.8
95.08613	62.3
97.02871	22.8
97.06539	16.7
97.10152	10.3
105.04468	10.5
105.07018	57.4
107.08601	42.9
109.06564	7.6
109.10151	33.7
111.08058	11.0
117.07030	24.2
119.08576	40.9
121.10201	37.8
123.11743	10.6
127.03911	11.6
129.07033	15.3
131.08562	29.8
132.93103	8.7
133.08652	7.6
133.10121	30.9
135.11679	25.0
136.07562	8.7
143.08560	12.0
145.10135	27.3
145.55870	7.3
147.11642	21.2
149.13205	12.8
157.10161	16.0
159.11665	21.3
161.13254	16.4
163.11205	13.9
163.14867	10.9
171.11690	12.8
173.13257	16.2
185.13254	14.4
197.13275	9.0
222.14931	8.0
241.19664	9.1
250.78362	9.3
259.20682	12.4
261.22366	12.3
291.23114	10.8
303.23236	9.1
341.24796	9.6
369.24588	10.8
387.25192	19.8
405.26291	18.4
438.34048	8.8
456.36520	7.9
464.41434	7.7
530.39447	51.8
531.36536	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	530.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
55.52125	0.2
58.06593	2.6
67.05502	0.7
67.39539	0.2
68.05016	0.2
69.07054	0.3
69.84292	0.9
79.05498	0.4
80.96755	0.2
81.07050	0.4
82.06583	1.8
83.07360	7.1
83.99160	0.2
93.07034	0.4
95.08623	0.4
96.08150	0.2
98.09692	82.4
99.10051	0.4
100.13300	0.2
107.08556	0.3
109.10166	0.2
116.10735	3.3
133.10306	0.2
175.05844	0.2
196.07336	100.0
197.07764	0.4
413.75513	0.2
495.29221	0.3
512.31079	1.0
530.25299	0.2
530.32440	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	530.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51775	0.5
55.05519	0.7
61.02929	1.2
67.05515	1.1
69.03434	1.9
69.07059	0.6
70.06593	67.0
71.04984	0.8
71.56022	0.6
72.08160	1.0
73.02904	0.6
79.05495	1.2
81.03412	0.9
81.07064	1.2
83.04986	0.8
84.21724	0.5
85.02890	2.1
91.03954	1.1
91.05483	2.1
93.07004	1.2
97.02897	0.8
105.07027	1.1
107.08593	4.3
109.10149	0.7
116.07095	100.0
119.08584	36.0
121.10147	0.6
129.05489	0.6
133.06511	0.9
135.08049	5.5
147.06422	0.7
186.81818	0.5
192.64366	0.5
225.88817	0.5
266.11740	0.5
281.13736	0.9
382.38531	0.6
415.21002	1.4
522.05304	0.6
530.28210	5.5
550.13672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
53.84198	0.6
54.56789	0.8
55.01851	0.7
55.05521	3.1
59.04985	0.8
61.28894	0.7
65.41621	0.6
67.05514	6.5
69.03423	2.2
69.07052	3.1
69.35905	5.2
69.36312	0.9
70.06583	1.1
71.08631	0.7
72.08158	1.1
79.05492	9.4
81.03406	2.3
81.07063	9.8
82.02166	0.6
83.04984	1.4
83.08603	1.9
85.02914	4.6
91.05485	5.1
93.07053	11.5
95.04963	2.0
95.08611	11.4
97.02885	3.3
97.06529	1.7
97.10162	1.6
101.06016	1.9
105.07035	14.3
107.04934	0.7
107.08598	21.6
109.02847	0.8
109.06497	1.2
109.10152	7.0
111.08079	2.2
117.06992	2.1
119.08583	10.0
121.06517	1.8
121.10138	10.9
123.04501	0.9
123.11700	2.9
125.05984	0.9
125.09621	1.3
127.03914	2.4
129.06989	1.5
131.08549	3.5
133.06383	0.9
133.10150	6.8
135.08063	1.4
135.11703	6.4
137.05989	0.9
140.07111	0.9
143.08592	1.7
145.10143	5.6
147.04344	0.8
147.11699	6.7
149.09602	1.0
149.13258	9.2
153.05440	1.2
157.10153	2.4
159.11667	3.9
161.09644	0.8
161.13261	2.6
163.11217	0.9
163.14825	1.1
165.09149	0.8
168.06549	0.8
171.11719	2.6
173.13257	1.9
175.11273	0.7
175.14825	1.8
177.09149	0.7
177.16391	1.0
180.08641	0.9
185.13258	2.4
187.11142	0.8
187.14871	1.2
189.16399	5.9
191.10649	2.0
199.14850	1.4
201.16542	1.1
205.12347	1.0
209.11755	1.4
217.12337	1.1
223.13339	1.1
227.18024	0.9
229.19502	1.9
235.13290	0.9
241.19501	3.5
259.20618	2.1
269.18982	1.3
287.20108	4.0
298.04633	5.8
305.21136	8.5
313.07065	17.1
333.20609	100.0
334.21008	2.0
367.64026	0.8
369.13263	5.0
458.70673	0.7
464.49857	0.9
497.66522	0.7
530.34534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.8
55.01875	5.5
55.05515	39.6
57.03437	17.8
57.07078	30.4
61.50819	2.4
62.44214	2.4
63.66456	2.9
64.69611	2.1
65.03920	5.2
67.05511	82.0
68.15377	2.2
69.06727	3.9
69.07075	54.9
71.01725	4.5
71.04984	4.6
71.08630	19.6
75.04471	4.0
79.05502	51.5
81.03413	10.5
81.07065	100.0
83.04976	6.8
83.08144	3.3
83.08623	40.9
85.10179	13.1
87.04476	3.3
89.06070	3.9
91.05496	30.9
93.07051	55.7
95.04980	5.7
95.08614	67.8
97.06541	17.5
97.10178	26.2
105.07037	32.1
107.04984	3.6
107.08611	32.8
107.60768	2.7
109.06475	4.1
109.10178	30.0
111.08094	7.1
111.11717	8.9
117.07017	14.8
119.08597	17.7
121.10152	27.2
123.11708	10.3
125.09644	4.9
125.13206	2.7
129.07027	6.7
131.08588	18.2
133.10156	15.9
135.08075	2.8
135.11703	23.4
137.13269	3.7
139.11188	3.9
141.06985	2.6
143.08568	10.0
144.09299	2.3
145.10150	15.7
147.11688	8.9
149.09605	2.9
149.13261	16.5
153.12755	3.5
157.10143	9.0
159.11705	12.2
161.13312	6.7
163.14864	4.7
167.14322	5.6
169.10161	4.7
171.11740	8.1
173.13292	6.2
175.14891	3.3
179.14287	5.7
185.13223	3.8
187.14822	3.5
191.18051	2.5
193.12233	4.6
195.13948	2.4
195.17546	3.4
199.14981	3.1
205.19572	2.5
235.20700	2.7
275.20114	9.5
305.33844	2.3
317.32175	3.0
327.30621	2.9
335.33078	10.2
345.31641	8.2
363.32590	23.3
399.34677	40.7
419.32849	4.9
437.36386	27.0
455.37329	38.1
475.21698	2.8
511.39511	10.0
529.39301	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.6
55.01866	3.5
55.05513	38.8
57.03436	21.4
57.07079	33.6
59.04987	2.8
64.28271	1.4
65.03934	3.5
66.25838	1.4
67.05506	72.1
69.03407	2.2
69.07071	48.4
69.07455	2.3
69.72881	3.2
69.73284	5.0
71.04990	4.0
71.08636	24.0
75.04459	4.8
79.05492	42.1
79.95673	1.3
81.03437	2.9
81.07059	90.6
83.00520	1.3
83.04967	5.3
83.08150	2.2
83.08625	38.4
85.06535	3.0
85.10193	14.6
87.04469	2.8
89.06001	3.0
91.05488	25.7
92.83344	1.2
93.06476	3.1
93.07045	56.2
95.04952	4.8
95.08608	64.8
97.06539	12.9
97.10169	23.6
98.20840	2.8
99.08076	2.0
99.11736	2.1
105.07032	20.6
107.08588	30.6
109.10157	28.7
111.08076	8.9
111.11711	6.0
113.06024	1.3
115.07565	1.8
117.06989	9.0
119.08575	12.8
121.10139	29.2
123.08049	1.9
123.11718	11.8
125.09643	4.4
125.13271	2.0
128.06238	1.9
129.06984	4.7
129.09160	1.6
131.07036	3.1
131.08566	14.1
133.10124	13.0
135.11690	20.1
137.13264	2.0
139.11185	6.3
143.08556	5.3
145.10141	8.6
147.11699	6.2
149.09583	1.5
149.13271	18.7
153.12750	3.6
157.10117	5.0
159.11693	10.3
161.13234	2.7
163.14828	4.6
167.08553	1.9
167.14331	3.2
169.10104	2.4
171.11655	5.3
171.13875	2.5
173.13297	5.0
175.14827	1.7
177.12704	2.5
177.16298	1.6
181.15877	1.9
183.11671	2.6
184.74341	1.4
185.13290	3.0
185.15109	1.5
187.14757	3.5
191.17964	2.0
193.12152	2.0
194.43871	1.4
195.11963	1.5
195.13838	4.8
199.14911	1.9
209.13455	2.0
213.16466	2.2
261.22052	3.0
279.26840	1.8
317.32117	5.1
335.32980	8.3
345.31482	7.7
363.32599	23.7
399.34695	32.1
437.36331	21.6
455.37329	36.8
511.39850	16.8
529.39172	100.0
530.39209	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.4
53.03949	4.7
55.01878	1.7
55.05264	1.5
55.05515	20.3
57.03435	4.1
57.07085	6.9
65.03947	2.6
67.05511	56.2
68.05847	1.1
69.03415	1.8
69.07077	18.8
69.37170	5.3
69.37576	2.5
71.05025	2.3
71.08631	1.8
79.05501	44.0
81.03439	7.2
81.07065	62.7
83.05008	3.9
83.08633	13.1
85.06547	3.3
86.09025	1.1
87.04477	37.4
88.07658	2.0
89.06030	1.8
89.40144	1.1
91.05492	30.6
93.07052	50.0
95.04984	7.7
95.08614	33.4
97.06560	6.1
97.10171	5.5
98.20805	1.9
99.08102	1.5
103.05485	1.5
105.04551	1.3
105.07042	23.3
107.04991	1.7
107.08603	24.7
109.06557	3.1
109.10161	12.7
111.08105	2.8
115.05488	1.3
117.07026	12.2
119.08583	16.1
121.06550	1.8
121.10149	17.3
123.11684	5.2
123.74271	1.0
125.09631	2.0
129.07025	5.9
131.08578	20.6
131.09509	1.5
133.10150	15.8
133.72461	0.9
135.08098	1.1
135.11711	12.9
137.09702	1.7
141.07027	1.5
142.07779	1.9
143.08585	6.9
145.10135	13.2
147.11734	8.5
149.09662	1.5
149.13271	13.2
155.08614	2.7
157.10127	6.7
159.11710	14.9
161.13277	5.9
167.08685	1.4
169.10106	2.6
171.11679	5.0
173.13266	7.2
175.11255	1.4
175.14932	1.5
177.12784	2.7
183.11755	3.0
185.13324	4.6
187.14880	4.1
193.12321	2.8
195.11980	1.4
195.13870	4.5
199.14920	2.7
201.16447	2.0
211.14896	1.7
213.16536	1.8
227.17966	1.4
237.16440	1.4
241.19586	1.3
245.01509	1.1
254.58792	1.0
256.26349	17.1
261.22247	2.5
268.52930	1.0
275.20093	2.3
277.21820	2.0
317.24805	2.0
409.34720	1.2
419.33188	2.9
437.34427	8.2
455.35349	3.7
473.36523	1.8
493.36746	1.6
511.38394	5.5
529.39014	100.0
530.38452	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.8
53.03947	3.2
55.01862	1.6
55.05515	15.6
57.03440	2.9
57.07078	3.4
65.03953	2.3
67.05508	44.2
69.07074	14.3
71.04991	2.8
71.08635	2.0
71.34283	1.3
73.67125	0.8
74.09741	0.8
77.03951	1.3
79.05148	0.5
79.05500	34.5
81.03434	3.5
81.07063	46.8
83.05007	3.2
83.08633	8.6
85.06538	2.6
91.05486	27.7
93.07053	35.3
95.04993	5.3
95.08612	26.8
97.06514	4.1
97.10185	2.3
98.84856	1.0
99.08128	1.0
105.07039	20.3
107.08603	19.7
109.06532	2.0
109.10166	10.7
111.08122	2.7
115.05476	2.1
117.07038	11.7
119.08591	15.9
121.06569	1.4
121.10155	13.8
123.08118	1.4
123.11749	3.3
125.09645	1.2
128.06270	2.0
129.07018	7.3
131.08571	18.8
132.49236	1.0
133.10136	14.8
135.08083	1.5
135.11717	9.9
141.07097	1.6
142.07813	1.2
143.08575	7.9
145.10133	12.3
147.11688	8.0
149.13266	9.3
151.11200	1.2
155.08598	3.7
157.10144	5.4
159.11713	10.1
161.13232	4.8
163.14857	2.0
169.10184	4.0
171.11694	6.2
173.13313	5.4
175.14905	2.2
177.12732	2.2
181.10197	1.8
183.11752	3.5
185.13316	3.2
187.14932	3.7
189.12704	1.1
189.16422	1.6
195.11766	2.6
195.13875	4.7
197.13376	2.4
198.69006	0.9
199.14832	4.5
201.16489	1.8
209.13304	1.8
211.14902	1.4
213.16534	2.4
215.17876	1.4
223.14803	1.1
225.16469	1.5
227.18022	1.0
235.14772	1.1
237.16484	1.7
243.21158	1.2
253.14497	3.6
259.20630	2.9
261.22272	1.8
261.52557	0.9
284.26514	1.6
285.22186	1.0
299.23785	1.0
312.29990	1.2
313.21887	0.9
313.25327	1.5
317.24683	1.3
329.25116	1.1
333.24332	0.8
359.08014	0.9
419.33185	3.2
437.34296	10.1
455.35327	3.9
473.36176	2.0
511.38394	4.6
529.39014	100.0
529.50031	4.9
530.39539	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.9
55.01877	42.3
55.05518	39.7
57.03443	19.0
59.04990	3.7
61.02931	43.0
61.08378	2.9
65.03945	5.2
67.05508	73.5
67.05874	4.1
69.03435	28.9
69.07073	37.3
69.44135	22.2
71.04988	9.0
73.02915	24.6
79.05495	80.2
81.03423	25.6
81.07060	72.7
81.39385	3.6
83.04991	14.1
83.08622	21.3
85.02911	47.4
85.06566	3.3
91.03959	20.9
91.05486	57.4
93.07049	61.6
95.04971	20.2
95.08600	37.5
97.02902	39.7
97.06539	67.5
97.10173	30.1
98.20753	7.0
99.04441	3.7
99.08085	4.9
101.02402	3.5
103.03960	5.0
103.05501	5.2
103.62627	3.3
105.07049	67.9
107.04941	30.7
107.08597	56.6
109.02877	10.3
109.06515	10.2
109.10174	23.7
111.08083	7.4
117.07030	21.5
119.08591	41.6
121.06545	8.2
121.10145	22.4
123.08082	5.8
123.11728	10.3
125.09627	30.9
127.03945	16.6
129.07019	7.9
130.07689	3.2
131.08572	24.2
133.06506	7.9
133.10164	33.0
135.08058	10.9
135.11713	11.0
137.09642	6.3
139.07520	5.3
141.06961	4.4
143.08588	6.1
145.04968	5.7
145.06535	4.3
145.10118	30.4
147.08070	5.4
147.11687	24.5
149.09630	45.2
149.13274	6.3
151.11153	5.6
153.09143	4.1
155.08658	3.0
157.10165	8.7
159.11682	20.8
161.09666	5.8
161.13301	10.0
161.43614	3.2
163.03943	9.0
163.11177	17.5
169.10117	4.5
171.10208	13.4
171.11678	5.4
173.11862	4.9
173.13284	13.5
175.11171	4.8
177.12791	6.9
179.14368	5.4
187.11273	5.5
187.13304	5.7
189.11259	23.2
197.13210	4.8
227.12784	30.3
229.14369	9.0
229.19482	5.6
245.13820	15.6
253.18066	7.7
257.19095	15.2
269.17520	6.2
275.20084	100.0
293.21149	14.5
349.23721	69.6
367.24811	48.7
391.24933	4.3
511.28909	5.0
529.18506	4.1
529.29492	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	529.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.2
55.01876	22.9
55.05513	32.3
57.03441	19.6
59.04989	2.9
61.02930	42.5
65.03954	4.6
67.05172	5.0
67.05510	69.6
69.03436	34.6
69.07086	29.9
70.06622	3.3
70.15733	10.8
71.04994	9.9
72.08173	4.0
73.02927	21.3
79.05497	65.3
81.03416	30.5
81.07063	100.0
83.04988	21.2
83.08636	19.1
85.02910	46.4
85.06583	3.9
87.04467	5.2
91.03964	20.0
91.04902	2.6
91.05485	51.4
92.05800	2.4
93.07052	54.3
95.04966	20.1
95.08611	38.1
97.02900	43.9
97.06541	28.9
97.10184	9.4
98.21529	3.1
99.04466	9.8
99.08096	5.6
101.02386	6.5
103.03959	4.9
103.05507	3.7
105.07037	58.1
107.04961	21.2
107.08601	39.1
109.02885	9.6
109.06505	16.9
109.10168	24.6
111.04458	4.1
111.08075	11.7
115.03945	3.3
115.05437	4.5
117.07037	21.1
119.04922	2.7
119.08595	48.7
121.06499	7.8
121.10152	26.0
123.04436	4.1
123.08067	12.6
123.11710	9.1
125.05994	4.0
125.09619	12.8
127.03921	27.8
128.06186	3.4
129.07011	10.4
131.08553	30.3
133.10147	40.6
135.08070	8.7
135.11697	14.7
137.05948	3.4
137.09637	8.0
137.13307	3.1
139.11197	4.4
141.06973	3.8
143.08624	12.3
145.04948	5.3
145.10120	27.2
147.08109	2.9
147.11714	22.5
149.09625	24.9
149.13255	9.4
151.11235	6.1
153.05476	5.2
155.08586	4.0
157.10150	12.0
159.11717	21.1
161.09587	3.9
161.13286	5.0
163.03976	3.8
163.11179	12.6
165.12770	7.6
169.10173	5.9
171.10185	7.0
171.11705	7.4
173.11780	3.9
173.13271	8.2
175.11243	6.4
177.12796	7.3
178.20558	2.6
179.14249	4.8
183.06520	5.6
183.11794	3.6
187.14935	4.1
189.11241	6.7
195.13843	7.0
197.13229	5.0
199.14871	3.2
201.07616	4.6
213.16425	3.0
229.14342	4.0
239.17845	5.3
245.13983	5.1
247.20578	3.0
253.18159	3.4
257.19040	8.5
267.16141	3.9
269.17389	14.7
275.20074	78.0
285.17001	5.1
293.21127	6.4
297.17230	3.5
309.20651	3.6
311.05472	4.2
349.19717	5.6
349.23734	64.1
367.24838	37.0
391.24680	5.0
511.29446	3.4
529.20642	2.9
529.29700	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01864	14.0
55.05510	24.9
57.03452	4.7
61.02929	10.1
62.93040	5.3
67.05512	40.5
69.03406	4.5
69.07075	23.6
69.30425	32.3
69.30834	6.8
71.04997	6.8
72.08161	15.1
78.93782	3.9
79.05497	39.0
81.03413	17.0
81.07075	47.4
83.04975	8.0
83.08613	6.9
85.02906	14.8
91.03952	4.8
91.05473	45.7
93.07054	33.4
95.04983	9.4
95.08620	24.7
96.31084	4.0
97.02898	12.0
97.06532	17.8
97.10219	4.7
98.21455	8.8
105.07030	57.9
107.04982	13.0
107.08604	20.9
109.10171	17.0
111.08086	5.9
117.07030	15.8
119.08582	26.5
121.06474	5.6
121.10167	13.3
123.08091	8.0
123.11684	4.4
127.03926	11.0
129.67496	4.1
131.08580	16.6
133.10155	29.5
135.08066	7.4
135.11720	10.2
141.07018	4.5
144.50552	3.9
145.10149	16.0
147.11697	12.9
149.09641	6.7
149.13318	4.9
159.11711	8.2
163.11172	5.8
169.10109	5.9
177.12802	6.2
179.14355	10.1
257.19037	5.6
275.20084	69.1
290.29080	3.9
293.21124	9.4
349.23721	100.0
351.96487	4.9
367.17828	6.0
367.24872	8.0
419.24176	5.5
529.35553	5.4
529.47369	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59601	1.2
57.54171	1.3
69.03438	1.8
70.06596	3.3
70.08556	1.3
70.89497	2.3
72.08154	4.2
85.02905	1.8
97.02905	3.2
110.89340	1.4
118.06549	21.2
130.06561	1.8
132.08087	5.1
144.08109	11.9
146.06023	63.4
147.06374	1.5
159.09196	4.5
163.03967	1.9
170.06012	5.7
188.07083	100.0
205.07916	2.5
205.09758	36.9
205.11688	2.0
247.17584	1.6
248.00737	1.4
289.13892	1.4
304.91818	1.5
331.41086	1.4
335.14905	1.3
432.51483	1.3
459.77441	1.7
552.46216	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.1
55.01865	15.3
55.05508	28.5
57.03431	11.2
60.26988	5.5
61.02926	14.8
67.05506	46.6
69.03426	13.6
69.07077	29.5
71.08633	8.3
71.45325	12.6
71.77735	5.7
72.08145	12.5
73.02922	9.0
79.05491	32.2
81.03416	27.8
81.07071	43.2
83.04961	7.1
83.08620	16.0
85.02889	22.1
85.06580	5.3
86.76261	5.1
91.03969	12.1
91.05492	32.6
93.07061	22.4
95.04978	6.6
95.08611	24.6
97.02895	21.2
97.06536	19.0
97.10165	6.7
99.08092	8.2
105.07044	33.3
107.04981	19.4
107.08612	17.5
109.02850	5.4
109.06539	9.2
109.10157	16.6
117.07027	9.3
119.08585	22.3
121.10147	17.2
127.03937	10.6
129.06941	7.0
131.08595	18.0
133.10130	22.5
145.10129	14.5
147.11716	12.6
149.09634	10.8
159.11694	14.6
163.11409	5.4
179.14360	7.7
275.20169	43.4
277.71848	6.8
293.21085	48.2
322.46097	7.5
349.23712	100.0
367.24994	13.6
524.19116	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	528.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.05508	4.2
57.03422	1.0
57.07079	50.2
58.40902	1.2
59.05003	18.1
67.05509	5.9
69.07076	4.2
69.70670	6.1
70.69778	1.1
71.08635	100.0
73.06553	2.5
79.05499	3.2
81.07048	6.0
83.04967	1.2
83.08609	2.1
85.06486	1.1
85.10189	54.9
87.04472	6.5
87.21419	1.1
87.38161	1.2
89.06034	83.2
91.05473	2.1
93.07037	2.5
95.08615	3.2
103.07587	4.5
105.07034	2.9
107.07084	2.1
107.08595	1.5
109.10168	2.3
117.06987	1.5
119.08615	1.6
121.10197	1.7
126.07621	1.0
127.14861	7.0
129.07045	1.5
130.08643	2.2
131.07050	3.9
131.08566	2.2
133.08611	68.7
148.63361	1.0
151.81351	1.4
157.10129	1.7
159.11792	1.6
166.91852	1.2
169.10211	1.1
171.11711	1.9
175.09753	2.0
177.11234	26.0
185.19026	9.1
221.13817	5.3
225.31068	1.0
229.21588	5.3
239.14891	2.0
283.17618	4.3
327.20142	20.6
367.22989	2.4
371.22806	1.3
436.33142	1.4
472.35321	1.5
511.38443	4.0
528.37482	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	528.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.7
57.92878	0.8
63.12977	0.7
67.05502	9.8
69.03432	2.1
69.07067	7.5
70.06594	100.0
71.06927	0.8
72.04498	1.1
72.08154	1.8
73.02908	1.2
79.05495	1.9
81.03421	2.3
81.07066	5.6
83.08633	1.4
84.08142	2.5
85.02910	2.2
86.09699	3.2
90.05549	0.9
91.05473	6.9
93.07037	4.3
94.06581	2.2
95.04979	7.0
95.08607	12.4
97.02911	2.2
97.06533	1.9
98.09696	1.4
99.04443	1.6
100.07619	1.0
105.07024	9.2
107.08604	4.6
109.02905	1.8
109.06571	0.9
109.10168	10.4
111.24648	1.0
112.07607	15.7
116.07119	1.3
116.55696	0.8
117.07057	1.3
118.06479	1.0
119.04932	1.4
119.08589	32.2
121.10149	2.0
123.08038	1.3
124.07580	1.4
127.03962	1.3
128.07063	1.3
130.08643	1.7
131.08621	1.2
133.10133	35.5
135.11711	6.3
137.09595	3.7
145.10121	3.4
147.04431	4.9
147.11694	7.6
149.13252	1.3
151.14857	1.8
154.08672	1.0
162.09125	1.1
175.14830	54.0
184.09665	1.4
193.15891	5.0
202.10750	2.1
215.02023	0.8
230.15421	2.8
256.11856	1.8
274.12927	5.4
292.13904	13.1
292.19095	1.4
300.29840	0.9
314.22003	0.8
318.11832	2.7
328.13992	1.3
336.12897	41.4
492.25763	0.8
510.19620	0.9
528.20776	1.6
528.27832	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	528.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05507	2.7
57.03432	1.1
57.07054	0.7
61.02922	1.6
67.05509	5.1
69.03412	2.4
69.07072	4.0
70.06595	62.6
71.04988	1.2
71.55194	1.0
72.08167	3.4
73.02895	1.9
79.05511	1.8
80.17010	0.8
81.03411	2.2
81.07066	2.5
82.06571	2.0
84.04480	0.9
84.08123	2.3
84.24663	0.7
85.02899	2.8
86.09695	1.6
91.05459	4.8
92.04990	2.3
93.07024	3.6
94.06564	1.6
95.04951	2.2
95.08608	6.3
96.08120	0.9
97.02908	3.0
97.06510	1.3
98.09695	4.1
98.81320	0.7
99.04430	1.1
100.07613	1.7
105.07035	4.7
106.06528	0.8
107.08578	2.9
109.02863	1.1
109.06547	1.1
109.10159	7.3
110.07151	0.8
112.07610	3.7
114.09174	2.3
116.07136	1.0
118.06533	8.5
119.04923	1.4
119.07323	1.0
119.08588	16.5
120.08119	1.4
120.08942	0.7
121.10162	1.6
123.11719	0.7
127.03915	2.1
128.07091	2.5
129.01805	0.7
130.06528	1.5
130.08665	1.4
131.05029	0.8
131.08585	0.9
133.10133	19.3
134.09622	0.9
135.11713	3.9
136.06178	2.1
137.09637	2.5
138.05431	0.8
140.07191	0.7
145.10132	2.2
147.04431	5.4
147.05472	0.8
147.11687	5.0
149.05934	0.8
149.13263	1.1
151.14841	1.1
152.07149	0.9
160.09628	0.8
162.09143	11.3
163.04025	0.8
163.09923	2.4
164.07043	0.8
166.08714	1.1
167.78067	0.8
175.14827	29.4
176.10527	0.8
177.05516	3.2
188.49538	0.7
193.15897	3.8
202.15877	2.1
229.14273	0.8
230.15416	20.8
238.10782	0.7
244.11812	1.5
256.11887	1.0
274.12967	1.9
292.14029	4.0
292.19083	12.4
304.19467	0.9
315.13467	0.7
318.11926	1.1
322.20081	1.4
323.12662	0.8
336.12875	15.2
356.91208	0.8
366.22775	13.1
510.30600	1.6
528.27991	100.0
529.28320	2.8
547.71082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.7
57.07057	1.2
61.17540	0.8
65.03937	1.6
66.75034	0.9
67.05502	12.9
67.79382	0.8
69.03426	2.5
69.07060	6.7
69.54289	6.3
70.06593	100.0
71.04988	1.0
72.08167	5.4
79.05476	2.5
81.03419	2.5
81.07053	5.2
84.08128	3.2
85.02888	2.7
86.09698	1.5
91.05506	5.1
93.07034	3.9
94.06554	1.4
95.04981	9.5
95.08138	0.9
95.08611	10.0
97.02872	2.1
98.09672	4.0
98.21599	1.0
99.04442	1.9
100.07586	1.4
105.07020	6.5
107.08572	4.8
109.02859	0.8
109.10146	10.5
112.07604	18.3
115.05462	0.9
117.06969	1.5
119.04952	1.1
119.08585	29.4
119.09464	1.5
120.08069	0.9
121.10171	2.1
124.07581	0.9
127.03923	2.5
130.08641	2.6
131.08569	2.0
133.10136	33.8
135.04433	1.0
135.11685	5.4
136.03929	6.7
136.07558	2.3
137.09593	2.4
140.07051	2.5
144.13736	0.8
145.02885	1.2
145.10138	2.0
147.04393	3.7
147.11674	7.2
151.14856	1.2
154.04944	5.3
154.08594	0.9
160.12413	1.6
162.09100	1.0
166.08641	1.1
173.13258	1.0
174.05632	1.1
175.14832	53.9
177.05450	1.9
190.14360	0.9
193.15868	3.1
204.06485	1.5
208.14037	1.0
212.09178	1.4
230.15361	1.0
238.10706	1.7
241.06059	0.9
256.11749	1.9
262.15164	1.1
274.10239	1.2
274.13080	7.8
282.14496	1.5
292.13907	18.7
298.09235	3.5
313.11722	1.1
314.97623	0.8
316.10220	1.0
318.11816	3.3
336.12888	44.0
350.13635	1.2
378.09949	1.1
483.49698	1.0
496.20364	2.4
528.28046	3.7
529.26331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.4
55.01878	4.6
55.05510	3.7
57.07083	3.3
60.34456	1.0
60.46041	1.1
65.03921	1.7
67.05508	10.7
69.03435	6.6
69.07073	8.2
70.02953	2.9
70.06597	100.0
71.05001	1.4
72.04522	9.1
72.08159	4.1
73.02914	7.9
79.05491	4.2
81.03424	10.0
81.07063	5.1
82.06612	1.4
83.04980	4.0
84.08144	4.6
85.02914	4.5
85.06554	3.6
86.09710	4.1
87.08160	2.0
90.05563	13.2
91.05492	9.9
92.04959	1.1
93.07042	4.1
94.06590	1.6
95.04967	9.1
95.08629	9.6
96.08123	1.8
97.02909	8.6
97.06554	3.3
98.02423	8.1
98.09737	3.2
99.04449	4.0
100.04012	3.9
103.07616	1.3
105.07037	9.3
107.08596	7.1
109.02888	13.0
109.10178	10.0
112.07623	9.0
113.06020	3.3
116.03475	7.7
116.07169	1.4
117.07056	1.3
118.06569	2.2
119.04944	5.6
119.08595	29.1
120.08126	1.9
121.10204	2.0
124.07596	14.2
125.07904	1.2
127.03923	7.9
128.07062	2.3
130.05159	1.2
130.08684	2.2
131.08563	2.0
132.06557	3.8
133.10144	31.5
135.11702	5.1
137.06012	2.1
137.09605	3.4
138.05489	1.7
138.09169	1.6
142.08675	9.8
145.02815	1.3
145.05002	3.4
145.10146	3.3
147.04410	20.8
147.11708	7.5
149.13242	2.2
151.14827	1.4
159.07886	1.3
160.09702	3.9
162.09232	3.4
166.08676	3.6
167.07132	1.7
172.09692	2.4
174.11293	2.6
175.14833	54.9
177.05490	2.4
184.09692	15.5
193.15942	4.9
198.07654	2.5
199.06013	2.0
201.08554	1.1
202.10757	41.3
203.11458	1.5
211.09729	4.6
216.08821	2.8
217.07100	1.5
220.11873	7.4
230.10292	7.8
230.15413	4.3
234.09787	5.0
244.11842	2.9
262.12888	9.2
274.13016	3.5
292.13904	7.8
292.18973	3.4
310.12854	5.6
318.11859	2.4
328.13974	27.3
336.12933	27.8
346.14996	7.5
364.16168	7.6
366.22720	3.7
454.35004	2.2
510.19400	4.4
528.28088	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60111	1.0
51.41045	1.1
55.05500	3.1
57.03442	2.1
57.07078	100.0
58.04216	4.6
59.05007	31.7
63.59085	0.9
65.42749	1.0
67.05499	4.5
69.07057	4.3
71.05011	1.3
71.08634	75.6
71.33944	1.8
72.05771	3.6
73.02902	1.5
73.06550	1.6
75.04510	1.4
79.05479	2.6
81.07058	2.9
83.08611	3.0
83.62415	1.0
85.10187	63.8
86.07325	1.3
87.04469	3.0
87.08102	1.7
89.06031	10.1
89.11618	1.1
90.01922	18.8
91.05489	2.9
93.07068	1.5
95.08614	2.5
97.10175	4.0
99.11729	10.4
101.06012	1.1
101.09673	2.2
103.07598	1.6
105.07037	2.4
109.10143	1.8
111.11749	1.7
113.13293	4.6
115.05724	1.2
115.07586	1.4
116.08295	1.5
117.09130	8.8
119.08607	1.4
129.06885	1.1
133.08615	5.1
133.10121	1.3
135.10161	1.5
152.15665	1.8
153.87398	1.3
155.17973	8.6
165.11253	1.8
169.62212	1.3
178.07162	1.7
183.17416	2.2
193.14351	1.2
212.21379	2.2
213.22198	10.8
222.09772	5.8
240.10757	3.1
271.26367	7.0
298.15134	1.6
376.34210	1.8
461.18420	1.3
527.37646	5.8
544.60785	1.2
551.33136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01875	1.6
55.05516	12.4
57.03433	2.6
57.07072	4.1
59.05022	1.3
65.03954	1.7
67.05505	27.6
69.07073	11.9
69.32014	10.8
71.04982	1.7
71.08622	2.6
79.05495	22.0
79.65724	1.0
81.03421	3.3
81.07059	27.5
83.04985	2.2
83.08624	7.5
84.44370	1.2
84.58066	1.1
85.06542	1.6
87.04447	1.2
89.06029	13.1
90.06385	1.4
91.05483	21.8
93.07044	20.7
95.04964	4.5
95.08606	16.2
97.06525	2.3
97.10182	3.3
105.07032	21.6
107.04985	1.7
107.08602	11.9
109.06504	2.0
109.10162	6.2
111.08098	1.8
115.05449	1.5
117.07025	14.4
119.08585	13.6
121.10146	6.8
123.08073	1.6
123.11720	1.5
125.09636	1.5
128.06233	4.1
129.07024	10.9
130.07851	1.5
131.08589	18.6
133.08623	7.5
133.10143	8.9
134.08917	2.6
135.11722	4.7
141.07018	4.5
142.07793	2.6
143.08560	14.8
145.10127	16.0
147.08034	1.2
147.11647	5.6
149.13295	3.1
149.77670	1.2
155.08568	9.5
156.09296	1.6
157.10139	13.4
159.11696	9.7
161.13333	2.6
163.11243	1.3
167.08607	3.8
169.10109	10.9
171.11661	12.0
173.13260	8.5
175.14922	1.3
177.11327	2.6
178.11504	1.2
180.56987	1.2
181.10156	4.6
183.11691	10.0
185.13275	7.9
187.14827	2.6
193.10211	1.3
195.11722	5.6
197.13242	7.5
199.14754	6.3
207.11739	1.6
209.13332	4.2
211.14822	3.6
213.16423	3.0
221.13249	1.7
223.14873	4.2
225.16425	2.7
235.14868	2.3
237.16451	1.6
239.17981	1.6
253.19608	1.3
259.20578	1.8
269.19016	1.2
283.20590	1.5
287.20120	1.5
297.22321	1.4
299.19910	1.5
311.23560	2.1
313.21628	1.9
325.25485	1.7
327.20178	2.4
328.20508	2.7
335.63858	1.3
417.31555	5.8
435.32663	14.4
453.33578	5.9
471.34641	3.2
509.36221	6.2
527.37329	100.0
528.37659	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	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
55.01870	1.6
55.05513	15.3
57.03423	3.6
57.07064	4.2
65.03936	2.3
67.05505	29.0
69.07069	12.3
69.29304	0.9
70.16662	3.4
71.04987	2.3
71.08624	1.8
77.62832	1.0
79.05489	20.1
81.03434	2.8
81.07060	28.6
83.04987	1.7
83.08635	7.3
85.06532	2.7
89.06032	10.1
89.09391	1.0
90.06368	1.4
91.04961	1.9
91.05484	19.7
93.07045	20.6
95.04965	4.5
95.08614	16.6
97.06508	2.7
97.10165	2.5
103.05488	1.2
105.06379	2.0
105.07035	22.7
107.05001	1.6
107.08587	11.5
108.46030	1.0
109.06493	1.8
109.10155	7.7
111.08073	1.9
115.05453	2.9
117.07036	10.2
118.93967	1.0
119.08577	13.6
121.10121	7.6
123.08077	1.1
123.11744	1.2
125.09608	1.4
128.06232	3.5
129.07005	15.7
130.07813	0.9
131.08571	22.3
133.06427	1.2
133.08632	5.5
133.10153	12.3
133.77184	0.9
134.08885	1.5
135.08031	1.2
135.11705	4.9
137.09604	1.2
141.06961	5.2
142.07779	3.2
143.08580	17.1
145.10120	14.8
147.08070	1.2
147.11700	6.4
149.13293	2.9
154.07751	1.6
155.08583	11.2
156.09360	1.5
157.10130	17.9
157.11322	1.7
159.11690	14.0
161.13205	2.4
167.08572	3.7
168.09320	2.0
169.10106	11.4
170.10966	1.2
171.11713	13.5
173.11966	1.0
173.13264	6.6
175.11290	1.2
175.14861	1.7
177.11292	1.2
179.08536	1.2
181.10135	5.2
183.11713	10.7
185.13284	8.9
187.14816	2.2
193.10074	1.5
195.11726	5.1
197.13268	8.1
199.14865	6.3
205.10207	1.2
207.11674	1.6
209.13359	3.0
211.14824	4.2
213.16402	2.2
221.13254	1.3
223.14883	2.2
225.16391	3.4
227.17970	1.4
235.14909	1.9
235.60573	1.1
237.16255	1.6
239.17857	1.1
259.20547	1.9
263.18103	1.4
297.22131	1.1
309.22064	1.3
313.21918	1.2
315.23154	1.0
323.23825	2.2
327.20120	1.8
328.20477	1.9
353.24899	1.3
362.57449	1.0
407.33334	1.2
417.31662	4.1
435.32648	16.3
453.33841	7.6
471.34686	4.0
473.33917	1.8
491.34769	1.1
509.36194	8.7
527.37317	100.0
528.37549	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	527.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26675	1.1
52.48300	1.1
53.03948	2.1
53.73746	1.1
55.01876	2.1
55.05296	1.4
55.05515	12.5
57.03441	5.2
57.07071	4.0
63.88843	1.2
65.03922	1.1
67.05508	29.3
67.40515	1.1
69.07073	11.3
71.04989	2.8
71.08633	2.1
71.56542	1.1
71.56917	1.4
79.05064	1.5
79.05497	19.0
81.03415	3.2
81.07063	25.6
83.04961	2.4
83.08612	6.6
85.06535	2.3
89.06057	1.3
91.05488	22.5
93.07056	18.5
95.04965	3.8
95.08605	17.7
97.06523	2.6
97.10165	4.9
105.06392	1.6
105.07044	21.1
107.08604	11.0
109.10150	10.6
111.08086	1.6
115.05441	1.9
116.23501	1.0
117.07017	16.2
119.08587	14.4
121.10161	8.6
123.08225	1.1
123.11702	3.2
124.12740	1.2
128.06245	3.1
129.07011	16.4
130.07776	1.6
131.08580	18.4
133.10126	12.0
135.11717	3.5
141.07024	4.4
141.58960	1.1
142.07799	5.7
143.08571	18.1
144.09363	1.5
145.10132	17.0
147.11717	7.0
149.09698	2.0
149.13237	2.3
151.11134	1.9
154.07695	1.4
155.08588	12.1
156.09381	1.6
157.10112	15.0
159.11719	12.5
161.09654	1.2
161.13210	2.7
163.11209	1.3
167.08585	5.0
168.09416	1.3
169.10146	14.3
171.11693	13.0
173.11990	1.3
173.13275	6.7
175.11185	1.5
175.14764	1.3
179.08540	1.2
181.10158	5.9
183.11711	12.3
185.13278	10.5
187.14842	3.7
193.10155	1.6
195.11684	7.6
197.13318	8.9
199.14818	6.6
201.16449	1.9
207.11819	2.8
209.13306	4.2
211.14856	4.3
213.16510	2.4
221.13290	2.9
223.14886	5.0
225.16446	3.0
235.14903	2.7
237.16380	2.8
239.18042	1.6
249.16437	1.8
255.63498	1.2
264.35156	1.1
265.19669	1.9
269.19199	1.6
270.04999	1.2
283.20685	1.5
295.20563	1.2
295.46127	1.1
311.23514	1.3
315.23126	1.9
323.23575	2.5
337.25034	1.3
339.23431	1.5
341.24835	1.9
417.31711	7.8
435.32651	20.0
453.33716	8.7
471.34680	3.8
473.34183	1.2
491.35526	2.1
509.36276	9.5
527.37323	100.0
528.37787	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	527.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26675	1.1
52.48300	1.1
53.03948	2.1
53.73746	1.1
55.01876	2.1
55.05296	1.4
55.05515	12.5
57.03441	5.2
57.07071	4.0
63.88843	1.2
65.03922	1.1
67.05508	29.3
67.40515	1.1
69.07073	11.3
71.04989	2.8
71.08633	2.1
71.56542	1.1
71.56917	1.4
79.05064	1.5
79.05497	19.0
81.03415	3.2
81.07063	25.6
83.04961	2.4
83.08612	6.6
85.06535	2.3
89.06057	1.3
91.05488	22.5
93.07056	18.5
95.04965	3.8
95.08605	17.7
97.06523	2.6
97.10165	4.9
105.06392	1.6
105.07044	21.1
107.08604	11.0
109.10150	10.6
111.08086	1.6
115.05441	1.9
116.23501	1.0
117.07017	16.2
119.08587	14.4
121.10161	8.6
123.08225	1.1
123.11702	3.2
124.12740	1.2
128.06245	3.1
129.07011	16.4
130.07776	1.6
131.08580	18.4
133.10126	12.0
135.11717	3.5
141.07024	4.4
141.58960	1.1
142.07799	5.7
143.08571	18.1
144.09363	1.5
145.10132	17.0
147.11717	7.0
149.09698	2.0
149.13237	2.3
151.11134	1.9
154.07695	1.4
155.08588	12.1
156.09381	1.6
157.10112	15.0
159.11719	12.5
161.09654	1.2
161.13210	2.7
163.11209	1.3
167.08585	5.0
168.09416	1.3
169.10146	14.3
171.11693	13.0
173.11990	1.3
173.13275	6.7
175.11185	1.5
175.14764	1.3
179.08540	1.2
181.10158	5.9
183.11711	12.3
185.13278	10.5
187.14842	3.7
193.10155	1.6
195.11684	7.6
197.13318	8.9
199.14818	6.6
201.16449	1.9
207.11819	2.8
209.13306	4.2
211.14856	4.3
213.16510	2.4
221.13290	2.9
223.14886	5.0
225.16446	3.0
235.14903	2.7
237.16380	2.8
239.18042	1.6
249.16437	1.8
255.63498	1.2
264.35156	1.1
265.19669	1.9
269.19199	1.6
270.04999	1.2
283.20685	1.5
295.20563	1.2
295.46127	1.1
311.23514	1.3
315.23126	1.9
323.23575	2.5
337.25034	1.3
339.23431	1.5
341.24835	1.9
417.31711	7.8
435.32651	20.0
453.33716	8.7
471.34680	3.8
473.34183	1.2
491.35526	2.1
509.36276	9.5
527.37323	100.0
528.37787	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	527.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.3
55.01871	17.0
55.05514	49.8
57.03443	23.4
60.29600	3.6
61.02935	22.3
61.58934	3.6
65.03933	4.6
67.05508	58.5
69.03440	30.1
69.07072	30.1
70.06596	5.2
71.04991	8.6
71.55161	3.3
71.55632	4.7
72.08167	8.9
73.02911	12.3
79.05504	47.5
81.03423	46.0
81.07062	53.3
83.04987	15.9
83.08643	22.2
85.02909	39.6
85.67475	3.4
87.04480	4.4
91.03973	9.0
91.05482	48.0
93.07045	42.3
95.04979	24.9
95.08613	28.9
97.02912	33.0
97.06528	6.2
97.10166	26.8
99.04470	9.7
101.02406	5.5
103.03947	14.0
105.07037	32.8
107.04958	16.9
107.08592	28.2
109.02880	21.0
109.06522	9.3
109.10177	26.2
111.08102	5.4
111.41293	4.1
117.07025	16.3
119.04913	4.4
119.08582	27.0
121.06549	8.6
121.10148	18.5
123.08086	19.1
125.09624	21.9
127.03928	24.8
128.06219	4.5
129.05516	4.6
129.07066	7.4
131.04865	4.3
131.08571	22.0
133.06509	7.7
133.10176	12.6
135.08067	6.9
135.11707	8.9
137.09647	7.4
143.08556	9.6
145.10155	15.1
147.08057	13.2
147.11713	7.8
149.09612	8.2
149.13246	5.2
151.07599	6.6
159.11713	8.6
161.09666	7.6
163.11215	11.3
165.09084	4.9
171.10129	5.6
171.11739	4.1
175.11214	8.7
177.12704	4.2
183.06573	7.3
187.11304	5.7
189.09685	5.4
189.11252	27.2
193.12206	8.8
197.80038	3.5
205.12360	8.3
211.13264	5.4
223.13329	14.1
227.12846	8.5
243.12326	4.6
243.48442	5.1
245.13718	3.6
245.19096	3.7
249.14864	4.0
249.18518	3.9
255.17508	4.9
273.18549	37.6
285.07611	4.6
291.19547	100.0
291.22824	5.7
331.38809	3.5
347.22269	7.9
365.23206	44.2
383.74777	3.6
435.23825	11.7
495.16290	12.9
509.27496	6.4
527.19617	9.8
527.28192	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.1
53.94632	4.3
55.01870	13.9
55.05513	41.3
57.03442	24.9
61.02936	23.2
67.05511	65.8
69.03439	41.3
69.07079	29.9
69.25502	40.9
70.06601	5.3
71.04985	7.4
72.08157	10.8
73.02912	11.5
76.34497	4.0
77.34300	4.4
79.05067	4.5
79.05506	64.5
81.03420	40.4
81.07063	54.5
83.04978	11.5
83.08636	23.8
85.02906	38.1
91.03936	12.9
91.04958	5.8
91.05482	44.0
93.07059	37.8
94.44294	4.4
95.04957	24.8
95.08618	31.0
97.02903	45.8
97.06544	9.3
97.10177	34.2
99.04436	11.9
101.02386	5.5
103.03941	15.4
105.07028	32.8
107.04958	15.9
107.08597	37.0
109.02880	13.8
109.06503	11.7
109.10163	28.6
111.04430	8.8
111.08088	7.3
117.07056	11.4
119.04931	4.8
119.08593	35.9
121.06480	5.1
121.10165	23.8
123.08063	16.1
125.09626	31.5
127.03914	24.9
128.06197	4.7
129.07024	13.9
131.08565	20.4
133.10161	20.1
135.08035	11.5
135.11714	7.8
137.06024	5.5
137.09593	8.0
137.73100	3.9
141.06924	4.4
143.08591	13.6
145.06438	7.1
145.10147	15.1
147.08035	18.1
147.11694	4.5
149.09624	9.8
149.13222	5.0
151.07539	6.6
153.09088	4.9
159.11684	4.9
161.09596	7.6
163.11211	8.2
165.09190	5.7
169.10107	6.0
171.10268	4.8
171.11707	9.2
173.09677	7.7
173.11699	7.8
175.11206	8.9
177.05548	5.0
183.06506	7.2
189.11246	20.5
193.12283	9.7
223.13286	15.3
227.12717	9.6
245.19179	5.7
273.18469	47.1
291.19534	100.0
347.22159	10.0
365.23227	48.8
417.22516	5.2
435.23627	15.6
495.16342	9.3
509.27475	9.5
527.20294	7.1
527.28290	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	526.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	1.4
55.05518	18.0
55.23580	0.8
57.03443	11.5
57.07086	4.7
59.05003	4.0
59.19912	0.7
62.11496	0.8
65.03949	2.2
67.05511	100.0
67.44386	0.7
69.07076	13.6
70.98610	1.3
70.98936	0.9
71.04995	2.9
71.08641	2.6
74.09714	1.0
79.05508	9.7
81.07063	41.1
83.04976	1.2
83.08624	11.3
84.72160	0.8
85.06539	2.4
85.10182	1.1
89.06039	15.5
91.05483	9.8
93.07045	10.7
95.04994	0.9
95.08616	30.6
97.06544	1.5
97.10176	3.4
105.07034	4.9
107.08614	6.3
109.06503	1.2
109.10166	68.6
111.08092	4.1
119.08610	6.6
121.10158	3.5
123.11720	3.4
126.10273	0.9
133.08630	10.7
133.10168	3.5
135.11746	1.2
135.54866	0.9
136.48923	0.9
136.64561	0.9
137.09648	3.1
137.13315	1.3
143.63512	1.0
147.11655	2.1
149.13309	1.0
155.10651	4.7
161.13278	2.2
173.11749	19.9
173.13185	1.6
177.11230	3.3
229.14362	68.5
245.22655	2.5
263.23734	4.0
292.71231	1.0
327.20236	6.3
337.27383	70.9
338.27646	1.0
340.26334	1.1
388.96140	1.1
491.37354	54.0
492.37741	1.4
519.57007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.2
55.01876	11.5
55.05265	2.8
55.05516	37.9
57.03444	17.8
57.07088	2.7
59.04990	3.4
61.02929	19.3
65.03938	2.5
67.05509	81.8
69.03432	35.2
69.07073	29.8
70.06589	5.4
70.97314	2.1
71.01371	4.9
71.04993	10.5
71.55530	2.6
72.08167	3.1
73.02909	8.5
77.03964	2.3
79.05062	3.1
79.05500	44.7
81.02978	3.7
81.03426	53.2
81.07065	54.3
83.04990	20.0
83.08633	18.5
85.02907	34.9
85.06557	3.9
91.03957	7.2
91.04973	3.0
91.05489	38.5
93.07055	40.0
95.04970	24.8
95.08611	27.7
95.21424	2.0
97.02906	39.2
97.06553	13.7
97.10176	23.7
99.04468	7.0
99.08125	2.7
101.02365	4.9
103.03938	4.7
103.05473	1.9
105.07040	31.7
107.04964	14.0
107.08610	25.8
109.02908	15.5
109.06518	13.0
109.10165	47.1
111.04432	9.7
111.08087	7.6
113.06019	2.1
115.03946	2.8
117.07031	11.6
119.04959	4.4
119.08581	21.8
121.06533	10.3
121.10149	15.7
123.04487	5.3
123.08066	12.3
123.11691	3.7
125.05997	2.7
125.09631	16.2
127.03925	19.6
128.06207	2.1
129.05521	4.9
129.07022	8.3
131.08586	15.2
133.06487	8.5
133.10165	17.4
135.08075	9.4
135.11716	9.5
137.09633	4.0
139.09947	2.3
139.11073	3.2
142.07742	3.0
143.08578	6.2
145.04971	5.0
145.06490	3.4
145.10153	14.6
147.04413	7.7
147.08064	7.8
147.11697	7.6
149.09639	9.2
151.11159	6.7
153.05457	6.5
153.09161	2.7
155.08612	3.5
157.06557	2.9
157.10143	6.7
159.08037	3.2
159.11731	5.3
161.09645	7.9
163.11201	7.1
165.09142	4.2
167.06972	3.1
171.11621	3.2
173.04460	4.4
173.05879	2.5
173.09627	5.0
173.11731	12.3
173.13081	2.7
175.11221	6.9
177.09187	2.5
177.12643	2.4
179.10670	2.8
183.06554	4.0
183.11765	3.5
187.11282	3.7
189.09679	2.4
189.11264	17.2
189.12793	3.7
193.12279	9.2
195.11887	2.1
195.13861	3.2
205.12213	4.2
207.00294	2.1
211.13293	10.0
215.10721	2.6
221.11882	3.0
223.13280	15.4
225.11292	3.1
227.12857	6.7
229.14328	4.9
233.11736	2.1
235.13202	2.8
247.13354	2.1
249.14847	3.9
253.14374	5.7
263.20145	3.4
267.15927	2.7
273.18463	24.8
275.20157	3.4
281.59198	2.3
285.17166	2.6
291.19547	100.0
309.20383	2.1
337.16364	2.8
347.22150	12.3
355.17419	4.0
364.22375	2.0
365.23221	33.4
383.24435	2.5
435.24002	2.5
486.44510	2.1
491.27496	2.6
495.16818	4.0
497.69849	2.5
509.20084	2.2
509.27435	3.1
527.20612	4.2
527.28467	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51844	7.3
55.05504	11.6
60.58390	6.4
67.05498	33.3
67.64004	6.8
67.75648	7.1
69.03465	7.4
69.07057	39.0
70.06566	8.6
70.73232	6.8
71.10140	16.3
71.27591	6.8
79.05474	19.8
81.07065	83.4
83.08577	11.8
85.02907	16.5
91.05494	11.5
93.07056	39.3
95.04977	7.4
95.08622	82.4
97.02885	10.7
97.10181	13.8
105.07029	16.0
107.08584	34.5
109.10168	100.0
121.10150	32.9
123.11720	35.2
127.03943	8.8
128.07085	30.3
133.10155	9.4
135.11674	32.3
137.13228	18.0
139.11185	13.0
144.75912	7.5
147.11723	14.1
149.13255	33.7
151.14827	14.2
163.14832	8.7
177.16318	10.7
191.18001	9.6
261.25684	15.0
273.25787	25.5
279.26785	9.4
291.26917	43.1
309.27927	48.1
320.49826	7.4
525.23199	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	525.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.0
55.01871	5.7
55.05514	21.0
57.07071	3.8
67.05502	27.9
68.27435	2.7
69.03418	15.9
69.07063	14.3
70.06573	5.0
71.05000	4.5
71.36117	5.0
72.08150	7.2
73.02943	2.8
73.69278	2.4
77.35740	2.8
79.05489	26.8
81.03415	11.6
81.07061	42.5
83.04967	25.7
83.08620	11.3
85.02895	16.3
85.06533	11.5
85.07018	2.8
87.00843	6.4
91.05489	23.2
93.07041	40.7
93.49025	3.4
95.04951	12.1
95.08617	23.9
97.02885	11.1
97.06527	7.3
97.10133	4.6
99.04446	4.7
103.05469	3.5
105.01857	3.6
105.07036	33.2
107.04984	15.8
107.08594	35.9
109.02878	6.2
109.06514	7.8
109.10162	22.7
111.04456	4.2
111.08039	6.0
113.09624	5.3
114.70238	3.2
117.07021	9.3
119.08582	37.5
121.06490	10.3
121.10157	39.4
123.04355	3.1
123.08076	4.2
123.11709	9.6
125.05932	3.9
125.09640	6.0
127.03908	8.4
129.06998	4.6
131.08539	10.3
133.06516	4.1
133.10143	55.2
135.08084	8.1
135.11691	12.2
137.05966	10.6
137.09637	39.8
139.11182	7.0
143.08568	5.3
145.10112	13.9
147.08069	8.3
147.11668	12.2
149.02322	3.3
149.09595	9.3
149.13237	6.7
151.11192	17.7
153.05473	4.8
157.10094	8.0
159.11731	6.6
161.09628	6.4
161.13268	8.8
163.03865	4.1
163.11165	6.7
165.12801	4.4
167.07010	3.9
171.11731	6.0
173.13347	3.6
175.11226	4.9
175.14816	27.9
177.12746	5.6
181.12297	3.0
183.18213	2.9
185.09651	3.2
185.13228	5.5
187.11258	3.5
189.12845	5.0
191.10690	7.2
191.14265	3.3
193.12206	3.3
199.14876	4.8
201.16360	7.4
203.14349	10.5
217.19334	3.6
227.12943	4.5
241.19539	4.7
259.20541	36.6
265.14221	4.8
277.21661	100.0
293.81992	2.6
310.09335	2.6
332.23120	2.8
525.26666	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65847	2.1
53.03936	9.7
55.01857	8.3
55.05517	15.8
55.98983	2.2
57.03424	9.3
57.07069	9.2
61.02919	5.2
67.05510	29.3
68.99795	3.5
69.03434	34.1
69.07055	12.9
70.06588	9.0
70.61700	2.3
70.62086	6.2
71.04983	6.4
72.08141	4.3
73.02888	4.0
79.05497	19.8
81.03423	30.1
81.07060	35.8
83.05004	13.1
83.08614	9.2
83.17152	2.2
84.08136	2.4
85.02907	41.8
85.06548	63.1
87.00848	15.6
91.03942	3.4
91.05486	17.2
93.07056	27.3
95.04970	23.6
95.08607	42.4
96.08935	7.2
97.02888	21.6
97.06528	6.0
97.10171	4.2
99.04459	12.5
99.08094	65.0
103.03938	3.2
105.01878	12.0
105.07033	35.3
107.04951	4.6
107.08602	22.7
109.02885	22.2
109.06541	17.0
109.10155	21.1
111.08068	3.8
115.03905	4.5
117.07046	8.0
119.08578	39.7
121.06487	5.8
121.10157	36.5
123.08064	17.3
123.11690	12.3
125.05991	6.3
125.09625	17.3
127.03928	31.6
127.07581	2.7
128.06181	2.2
129.01828	2.3
129.07039	3.8
131.04875	2.6
131.08577	9.3
133.06520	4.8
133.10152	24.4
135.04388	4.6
135.08063	6.8
135.11707	6.9
137.05959	2.6
137.09627	6.7
139.03940	2.5
139.11195	7.7
142.07811	3.0
143.08557	11.9
145.05003	11.2
145.06503	6.9
145.10129	15.5
147.04407	3.4
147.08049	5.8
147.11694	38.5
149.09669	11.1
149.13228	2.3
151.07550	7.4
151.11191	5.0
151.35648	2.3
153.05435	5.2
156.09285	4.1
157.10179	13.4
159.02841	9.6
159.08148	2.8
159.11717	8.7
161.06010	3.0
161.09644	6.8
161.13211	7.7
163.03932	2.5
163.11133	5.1
165.12766	18.1
166.08641	3.3
167.07048	4.7
167.10703	2.4
169.28136	3.1
170.10762	2.8
170.21161	2.3
171.11732	9.9
173.09645	3.3
173.13255	9.8
175.11227	6.0
175.14784	7.1
177.09158	4.6
177.16483	2.3
179.10742	2.6
179.14310	11.5
181.10379	2.1
181.12253	8.4
182.38118	2.7
183.11673	2.4
185.13272	8.8
187.11224	2.8
187.14821	3.5
189.12761	8.9
199.14731	10.5
201.16473	16.5
203.14270	11.1
205.15953	3.1
207.13809	4.3
207.68585	2.8
209.11658	2.5
215.14307	2.6
217.15933	4.7
225.66080	2.1
231.04907	4.1
241.19539	6.1
243.13651	3.2
244.78822	2.1
259.20590	100.0
261.22165	4.0
271.17017	4.2
277.21707	20.3
289.18005	2.9
289.21521	2.6
345.20483	5.3
373.43173	2.3
427.19980	2.3
495.12625	2.4
507.25543	4.1
525.13672	7.5
525.27197	36.8
525.34265	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	525.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40277	5.6
53.03946	5.8
55.05506	12.2
57.07084	6.9
67.05503	36.3
69.03427	11.6
69.07072	35.7
70.06581	9.7
70.20638	7.3
70.21004	17.4
72.08165	5.6
79.05486	16.8
81.03410	6.4
81.07057	100.0
83.08613	14.2
84.08099	4.9
85.02464	5.3
85.02904	25.4
85.06533	15.9
90.96484	4.4
91.05487	11.8
93.07065	32.7
95.08611	96.1
97.02902	17.5
97.06505	5.6
97.10179	18.1
98.20800	5.8
99.08095	11.8
105.07021	14.1
107.08578	50.1
107.85191	5.6
109.02956	6.4
109.10159	72.3
111.08079	9.8
111.11731	8.2
119.08596	14.6
120.08055	6.3
121.10139	36.2
123.04426	4.9
123.11723	56.5
124.07556	6.3
125.09644	7.4
127.03953	15.4
133.10146	10.3
135.11687	27.2
137.13280	17.4
140.04813	4.7
145.04951	10.0
145.10144	6.6
147.04456	9.1
147.11700	13.2
149.13257	46.3
151.14885	7.6
153.12712	11.6
161.13307	12.0
163.04021	5.1
163.14833	32.4
165.16371	6.5
166.05002	8.5
167.14380	7.9
177.16380	21.3
179.17938	9.3
191.17926	13.5
195.17476	6.9
203.18002	15.6
205.19524	12.8
217.19502	13.0
247.24236	16.6
273.25769	30.2
278.86670	5.8
291.26904	59.8
309.27841	14.1
325.11584	5.8
393.80933	5.0
403.86703	5.0
525.23138	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
55.01868	5.4
55.05508	9.6
57.03430	8.2
57.07072	6.7
57.09489	2.4
67.05512	24.1
68.99785	4.4
69.03432	39.0
69.07071	7.5
69.31390	13.1
69.31804	7.5
71.04993	5.4
73.02917	4.8
74.76975	2.1
79.05485	12.7
81.03428	26.7
81.07066	27.4
83.04982	9.9
83.08612	4.9
85.02908	29.9
85.06549	70.1
87.00855	12.9
91.05483	15.2
93.07033	13.7
95.04977	8.7
95.08610	30.2
96.73772	2.3
97.02900	12.9
97.06513	6.1
99.04458	11.6
99.08102	87.7
103.05498	4.5
105.01861	9.1
105.07034	34.7
106.04183	4.5
106.07349	4.1
107.04995	3.1
107.08595	18.7
109.02884	24.0
109.06510	14.1
109.10168	16.6
113.09570	2.4
117.01803	3.4
117.07018	4.9
118.04179	7.3
119.04459	2.9
119.08588	38.2
121.06519	8.3
121.10155	32.8
123.04370	3.1
123.08095	9.8
123.11723	9.2
125.06028	4.9
125.09647	20.5
127.03931	28.8
129.01820	3.3
129.06992	2.6
131.04932	4.3
131.08563	5.7
132.05653	2.7
133.06493	12.5
133.10141	19.2
134.06796	4.8
135.04424	2.5
135.08034	4.6
135.11714	4.5
137.06001	4.4
137.09595	7.5
137.13246	3.6
139.11183	10.4
143.08643	5.4
145.04977	7.7
145.10133	14.3
147.08110	4.2
147.11691	38.1
149.05991	7.6
150.06490	3.7
151.07422	3.2
153.05463	5.1
153.09187	2.6
157.10146	9.8
159.02962	5.4
159.11670	9.2
161.05948	3.4
161.09666	3.8
161.13290	4.4
163.07564	3.3
163.11253	2.8
165.09113	9.6
165.12738	22.2
166.09462	4.2
167.07008	3.0
171.11719	12.1
173.13290	6.3
175.11157	5.8
175.14856	4.8
177.05504	5.8
177.12814	3.4
178.05717	3.8
179.14267	15.3
181.08575	4.4
185.13272	10.5
190.13493	2.9
191.07019	3.8
192.07727	2.4
193.08597	36.8
193.15889	2.4
194.08998	25.5
199.14867	11.9
201.16422	14.7
203.14362	4.9
209.08115	21.1
210.08434	10.2
214.06219	2.8
217.15923	6.3
223.04356	2.9
231.05028	4.1
241.19536	8.2
257.07986	2.4
259.20581	100.0
277.21683	9.5
283.20892	2.5
397.36172	2.4
421.35794	2.7
525.27301	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	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.01862	4.2
55.05523	9.1
55.99408	1.2
56.51686	1.4
57.03431	5.2
57.07084	8.5
61.02915	4.3
66.84377	1.4
67.05508	19.9
68.99773	4.3
69.03436	29.9
69.07062	6.3
71.04989	3.3
71.20840	2.3
73.02914	5.7
79.05501	9.5
81.02985	1.9
81.03426	26.0
81.06642	2.1
81.07062	22.9
83.04974	5.5
85.02913	28.3
85.06548	65.3
87.00844	13.9
91.03945	2.3
91.05481	10.6
93.07049	10.8
95.04956	6.5
95.08617	21.9
97.02880	14.6
97.06522	3.1
97.10139	1.9
99.04463	7.6
99.08099	74.5
105.01878	6.4
105.07038	24.9
107.04977	1.7
107.08604	14.0
109.02895	20.7
109.06522	10.4
109.10172	13.1
111.08035	1.8
115.03944	2.1
117.07021	2.7
119.07790	2.4
119.08593	32.8
119.28505	1.3
121.06512	5.7
121.10145	33.3
123.08039	8.3
123.11720	7.4
125.05996	4.2
125.09640	18.2
126.19041	1.4
127.03940	26.0
128.06239	1.7
129.01857	2.5
129.07030	2.7
131.08578	6.1
133.06490	4.0
133.10143	16.0
135.04451	2.2
135.08119	3.6
135.11671	4.5
137.05989	1.7
137.09636	8.9
139.11185	6.3
139.35620	1.5
142.07748	3.0
143.08557	4.5
145.04999	6.8
145.10127	9.4
146.61670	1.4
147.08066	4.1
147.10652	2.6
147.11703	30.9
149.05988	1.6
149.09587	4.6
151.11148	3.5
153.05490	4.0
156.09377	3.4
157.10120	9.3
159.02921	9.1
159.11688	10.5
161.09630	4.8
161.13251	6.6
163.11124	2.8
165.09093	4.3
165.12735	17.4
166.09480	1.8
167.07095	3.2
170.10963	2.5
171.11658	9.6
173.13260	5.1
175.11223	3.9
175.14821	6.0
177.05478	2.3
177.12785	2.1
178.05632	1.3
179.14328	15.0
185.13292	11.0
189.12770	3.8
191.06938	2.0
193.08640	8.9
194.08923	6.3
199.14807	11.8
201.16412	12.1
203.14330	6.7
209.08101	4.5
210.08452	4.3
217.15910	2.8
218.16623	2.6
223.63257	1.4
231.05083	2.8
241.19482	7.9
259.20596	100.0
260.20773	1.4
277.21643	9.0
489.28519	1.5
525.27167	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	525.1395
Annotation	Mayoside
Peak:m/z	Relative Intensity
53.03938	0.5
55.01877	0.7
55.05503	0.8
57.70676	0.4
67.05489	1.5
68.99759	0.5
69.03414	0.9
69.07067	1.0
69.22534	0.5
70.06596	0.7
71.55483	0.7
72.08150	0.9
79.05489	1.7
81.03438	0.8
81.07053	1.4
89.03935	0.6
91.05472	3.2
93.07048	1.3
95.04952	1.7
95.08611	1.1
97.02905	1.0
102.04645	1.1
103.05461	4.0
104.06247	2.1
105.07027	3.5
107.04964	2.0
107.08593	0.7
109.02863	0.6
109.06490	0.7
115.05476	1.2
117.03412	0.6
117.07018	0.5
118.04193	1.9
119.04954	1.0
121.06511	2.1
121.10140	0.8
123.04435	1.1
127.03919	0.6
130.04187	1.3
131.04935	10.9
132.05714	9.9
133.02855	0.8
133.06532	2.3
133.10110	0.7
134.03590	0.8
135.04439	1.3
135.08084	0.6
135.11777	0.6
135.48901	0.5
137.06026	1.2
140.04686	2.7
145.06497	0.7
145.10187	1.1
146.03624	2.2
147.04410	1.9
148.05174	0.6
149.05992	2.0
153.01825	3.7
153.05487	1.3
154.06250	1.0
159.04366	0.7
160.05206	4.9
161.05992	5.2
162.03059	0.6
162.06738	0.7
163.03955	1.5
165.01837	0.5
165.05501	1.9
167.07062	6.4
171.11707	0.5
173.06094	0.9
173.94261	0.5
176.04736	1.7
177.05479	5.6
178.06279	2.6
179.07030	0.5
180.07849	2.7
181.08589	0.9
182.09386	0.8
187.03877	0.9
189.05452	0.7
191.07056	3.4
192.07820	10.7
192.09431	0.9
201.05533	0.8
207.06625	0.6
213.05544	1.4
215.03284	0.5
216.04263	1.7
217.04974	2.4
228.04123	0.8
229.04970	2.1
231.06570	1.1
239.26830	0.5
241.05022	2.5
243.02893	1.3
243.06618	1.2
244.03740	3.8
245.04488	2.7
257.04462	5.5
259.06027	4.1
269.04492	1.6
271.06061	1.4
273.04004	3.9
283.06113	0.9
285.03955	2.7
286.04721	1.3
287.05533	18.1
299.05774	1.2
301.03506	8.7
301.06787	1.0
302.04193	3.7
313.03418	5.7
315.04944	8.0
316.05768	4.1
317.06561	2.5
327.04987	4.8
341.06696	0.7
343.04581	5.1
353.06610	2.7
357.06033	1.5
371.07458	2.8
389.06381	0.7
413.06458	0.5
417.06113	0.6
448.07785	0.6
475.10330	4.5
477.08347	0.8
492.10300	1.0
495.12918	2.4
507.12897	9.2
525.13947	100.0
526.14313	2.1
549.57385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	8.7
57.03436	4.6
61.02922	4.1
67.05504	31.3
69.07072	6.9
69.24846	26.2
70.06594	2.8
72.08171	2.9
79.05495	18.6
81.07057	31.9
83.08631	7.6
91.05482	21.0
93.07056	19.0
95.04933	3.0
95.08606	27.7
97.06551	4.3
97.10172	3.3
98.20777	5.1
99.08105	2.7
105.07028	4.7
107.08646	12.6
109.10146	17.8
111.08001	2.9
119.04932	21.1
119.08566	7.7
121.10138	14.5
123.11739	6.0
131.08548	7.7
133.10149	11.6
135.11717	15.2
147.04422	100.0
149.13284	4.9
161.13284	2.4
164.36717	2.8
165.05508	7.4
215.17953	8.1
221.08171	4.5
233.18977	9.9
235.20464	3.1
251.19974	7.1
288.26007	3.1
307.22598	5.9
325.23758	51.2
343.32687	2.8
436.14474	2.5
463.57370	2.5
471.27322	5.7
489.28473	13.0
505.37949	2.9
524.34558	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.1
55.05508	14.7
57.03438	12.1
57.07073	7.8
59.04990	3.9
65.03952	2.9
67.05508	100.0
69.07067	8.7
70.69325	1.2
70.69641	2.2
71.04989	3.9
71.08625	5.8
71.23057	1.2
71.49775	1.1
75.34775	1.3
79.05499	23.6
81.03390	1.2
81.07059	41.2
83.04992	1.3
83.08614	7.7
85.06540	3.2
85.10163	2.8
87.04462	4.0
87.89679	1.4
88.03459	1.2
91.05476	14.8
93.07046	28.3
95.04982	2.8
95.08614	29.4
97.06541	1.6
97.10151	1.9
99.06155	1.1
99.08115	1.5
105.07037	8.3
107.08601	15.3
109.06533	1.7
109.10159	70.9
111.08091	3.8
117.07007	3.4
119.08588	9.5
121.10140	11.9
123.11729	4.6
125.09681	1.4
131.08549	3.7
133.10114	4.0
135.11705	8.0
137.09608	3.1
145.10165	2.8
147.11700	4.7
149.13286	3.7
155.10681	3.7
159.11745	3.0
161.13252	2.2
173.11784	23.2
173.13297	3.7
208.61880	1.2
227.12788	1.6
229.14357	73.9
243.21173	4.3
261.22150	14.6
268.16141	2.1
317.24857	2.0
335.25800	71.8
462.28967	1.7
489.35730	35.4
524.39990	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	525.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	2.5
57.02234	1.4
69.41179	5.3
69.41603	6.7
92.26043	1.6
98.20790	3.0
98.96931	2.9
98.97585	61.7
116.98623	42.6
126.64338	1.4
134.99666	17.1
137.56015	1.6
177.00967	1.9
216.98962	2.5
234.99957	6.0
240.98698	7.6
258.99835	71.1
260.00055	2.4
261.02966	3.4
274.97778	4.0
277.00870	80.1
278.01083	3.1
282.01395	2.0
282.99979	25.5
298.97885	2.0
300.02481	2.3
301.01089	26.5
302.01080	1.9
316.98953	7.7
317.99051	2.7
334.10559	1.5
359.00183	11.3
362.28751	1.5
364.99115	2.4
382.99918	24.4
384.00143	2.3
398.93341	1.6
401.01080	100.0
402.01193	4.8
419.02063	7.5
424.02814	3.0
441.99167	1.9
443.02081	5.7
459.99582	1.6
497.72705	1.5
499.97095	2.0
503.95099	1.8
507.00250	3.0
524.93292	3.4
525.01306	70.7
526.01233	4.2
542.98804	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.8
57.03444	4.4
57.16145	1.6
61.02938	3.3
65.03907	1.7
67.05161	3.3
67.05505	29.0
69.07066	6.1
71.05028	2.1
71.55651	1.9
72.08157	3.2
72.61637	1.6
73.02924	2.0
75.45554	1.7
79.05482	10.1
81.07063	27.1
83.08621	5.4
85.02885	1.8
85.06543	2.1
88.48663	1.7
91.03964	1.8
91.05482	17.7
93.07050	14.2
95.08611	26.4
97.06568	2.0
97.10151	1.9
103.56036	1.7
105.07043	4.5
107.08604	11.6
109.10172	12.2
117.06982	3.0
119.04955	17.3
119.08591	5.1
121.10136	14.1
123.11736	4.7
131.08589	4.9
133.10179	10.0
134.58649	1.7
135.11694	11.6
137.70490	1.6
142.37085	1.7
145.10114	2.6
147.04422	100.0
147.11768	2.8
149.13280	3.8
151.11159	4.0
159.11736	2.0
165.05473	5.9
173.13182	1.8
215.17926	6.4
220.81158	1.6
221.08093	2.9
233.18909	10.2
235.20650	4.5
251.20135	6.6
289.21710	2.3
307.22687	6.2
310.04782	1.6
325.23734	51.2
371.76086	1.9
471.27225	2.4
489.28433	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44953	0.8
53.03931	2.7
55.01874	2.3
57.03439	1.2
61.75195	0.9
65.03939	2.1
66.04716	1.0
67.05523	2.2
69.03418	2.1
69.07042	1.7
70.06586	1.2
70.61991	1.7
71.23463	1.0
72.08160	1.0
73.78706	0.9
75.04471	1.9
78.04723	0.9
79.05502	8.8
81.03426	1.8
81.07051	1.7
84.08150	2.9
85.02886	2.6
85.06541	1.5
91.05495	12.9
93.03426	5.8
93.07039	3.2
95.04954	3.7
95.08601	2.9
97.02879	2.2
97.06525	4.2
98.10495	1.0
103.05470	11.2
105.06379	1.6
105.07037	19.0
106.04166	11.2
107.04957	3.8
107.08595	2.1
109.02863	2.6
109.06547	2.5
109.10155	1.7
110.07108	0.9
115.05484	2.3
117.03414	1.1
117.07057	1.0
118.04171	20.4
118.05007	1.1
119.04932	3.1
119.08577	1.4
120.05735	2.3
121.06510	16.8
121.10167	1.4
122.07295	3.8
124.05210	10.0
125.05980	3.8
127.03955	1.2
131.04929	3.3
133.06502	28.8
133.10066	1.1
133.55060	1.0
134.07246	2.0
135.04417	3.3
135.08011	4.5
137.05986	4.4
139.07568	1.4
143.99297	0.9
145.02815	1.4
147.04398	2.0
148.05190	2.4
149.05991	25.1
150.06775	9.4
151.07535	5.3
153.05505	1.3
153.09087	6.6
161.05978	6.2
163.03877	3.5
163.07582	1.9
165.09132	18.7
167.07036	4.2
175.07426	1.2
177.05475	17.4
178.06158	1.1
181.08603	13.1
191.06963	5.2
192.07889	1.4
193.08617	100.0
195.06410	1.3
209.08105	79.3
210.08679	1.5
223.04254	7.1
237.10175	2.4
249.10164	1.7
251.11868	2.3
252.12553	1.0
253.09648	3.4
265.09744	2.5
267.11276	1.3
278.10489	2.1
279.11313	3.3
293.09320	1.4
295.10928	0.9
297.12399	1.2
309.12277	1.8
312.11060	1.8
325.11938	1.9
327.13409	9.0
339.13379	15.2
352.10593	1.2
367.12903	15.6
368.13538	1.7
374.16708	3.7
385.13898	1.6
399.15628	1.7
492.21353	18.7
524.18182	1.3
524.32349	1.4
525.14001	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01884	2.4
55.05510	1.2
57.03416	1.4
65.03952	2.3
67.05520	1.8
69.03426	2.0
69.07079	1.1
70.04726	4.8
70.06586	1.2
79.05505	7.1
81.03423	1.7
81.07076	2.1
81.49243	1.1
84.08186	1.3
85.02901	2.7
85.06545	1.3
89.03912	1.3
89.06079	1.3
91.05488	10.9
93.03409	4.6
93.07042	4.1
95.04972	2.3
95.08614	1.4
97.02893	1.5
97.06536	3.2
103.05473	7.7
105.04562	1.0
105.07044	19.0
106.04179	10.9
107.04974	5.8
109.02879	2.9
109.06528	2.1
115.05441	1.1
118.04156	19.3
119.04939	1.7
119.08665	1.1
120.05706	2.2
120.95672	0.9
121.06506	15.4
122.07301	1.8
123.04441	1.2
124.05221	7.9
125.05967	3.6
127.03890	1.5
131.04909	3.2
131.08543	1.1
133.05482	1.4
133.06496	26.4
134.03635	2.1
134.07285	2.8
135.04433	3.6
135.08081	5.1
137.05995	3.1
139.07556	1.3
145.48547	1.0
148.05115	1.9
149.05991	20.6
150.06793	9.7
151.07542	4.5
153.05411	2.0
153.09134	5.0
161.05981	4.9
163.03899	1.2
163.07584	1.9
165.09137	12.9
167.07094	5.0
167.10667	0.9
177.05478	13.8
178.06201	1.7
181.08609	12.5
191.07040	3.4
192.07858	1.4
193.08618	100.0
194.08971	1.1
195.06612	1.5
209.08099	70.9
223.04230	7.6
259.20737	1.1
272.16092	1.1
317.23740	1.0
353.13681	1.2
374.16852	2.7
386.39279	1.0
449.62744	1.0
477.19098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.05499	0.4
57.03428	0.8
59.71463	0.2
65.03943	0.7
67.05493	0.4
68.40939	0.3
69.03428	3.8
69.07071	0.7
70.06593	4.7
71.04995	0.6
71.44252	0.6
72.08154	1.0
76.02220	0.4
78.03466	2.2
80.05017	0.4
81.03420	1.8
83.04958	0.4
84.04486	0.5
84.08138	0.7
85.02909	1.6
85.48233	0.2
86.09714	3.0
91.05490	0.4
92.13831	0.2
93.03406	0.5
95.04982	0.6
96.04487	0.6
97.02895	100.0
98.03215	0.5
99.04453	0.8
106.02921	9.9
107.04957	0.7
108.02070	0.3
109.02883	1.0
111.04468	1.3
112.07625	0.3
115.03932	0.9
116.07125	0.4
119.04913	0.3
122.06020	0.3
124.03958	13.0
125.05987	0.6
127.03916	0.4
135.04407	1.4
138.09142	0.4
139.03917	2.5
140.07115	0.4
141.05482	0.8
147.04504	0.3
151.03918	22.4
151.05002	1.6
157.33760	0.2
161.07111	0.5
163.03912	0.8
166.08630	7.2
169.04980	0.9
178.04936	0.3
181.04938	1.9
183.06520	0.3
183.14975	1.1
196.06085	0.8
211.14497	0.4
212.07100	0.3
212.07567	0.2
212.09180	12.7
220.06058	20.0
221.07579	0.3
222.08240	0.6
229.15613	0.3
231.04242	0.3
238.07112	3.4
254.06619	4.3
256.08423	0.4
286.17587	0.4
295.08099	1.1
302.10611	0.4
313.09241	0.5
334.09164	0.4
334.47876	0.3
352.10278	0.4
370.11328	6.7
417.52676	0.3
460.72919	0.3
478.17270	0.4
478.28348	0.3
523.09454	0.3
524.18762	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01868	1.5
55.05255	1.8
55.05510	19.5
57.03438	2.3
57.07080	50.8
59.36231	0.8
65.03923	2.1
67.05508	42.8
69.03431	1.2
69.07072	21.0
70.12996	3.9
71.04987	3.8
71.08635	30.6
79.05499	18.5
81.07062	100.0
83.04987	4.6
83.08633	17.1
85.06554	6.2
85.10189	20.7
91.04906	1.0
91.05485	21.5
93.07050	12.2
95.04978	2.8
95.08614	40.9
97.06549	5.8
97.10194	5.8
99.08089	4.1
99.11703	1.4
101.06014	1.3
105.07041	33.4
107.05000	1.1
107.08588	10.2
109.06532	4.3
109.10162	14.5
111.11738	1.5
117.07033	1.3
119.08594	25.4
121.10152	21.8
123.08086	4.2
123.11717	34.0
127.07581	2.3
137.13271	4.5
141.09062	1.3
147.11694	71.1
148.12086	1.2
165.12766	37.4
165.14146	2.2
182.76978	1.0
183.13901	5.1
191.16373	0.9
193.12279	3.0
229.14273	6.6
239.23741	9.7
267.15927	45.5
301.29599	1.1
312.62674	1.1
313.27612	1.4
523.40015	93.3
524.40704	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.3
51.02390	0.5
54.30648	0.2
54.51197	0.2
57.03437	0.5
65.03938	0.4
69.03431	3.3
69.73692	0.8
69.74120	0.9
70.06588	0.4
73.02930	0.5
78.03453	2.6
80.05013	0.4
81.03434	1.3
85.02913	0.8
88.03988	0.3
93.00007	0.3
93.03421	0.4
95.04945	0.4
96.04524	1.0
97.02898	100.0
98.03244	0.7
99.04450	0.6
106.02921	10.7
111.04459	0.7
115.03924	0.8
124.03052	0.6
124.03963	12.3
135.04404	0.9
139.03935	1.7
141.05455	0.4
151.03918	15.2
151.04993	0.7
166.08655	4.7
167.48080	0.3
169.04947	0.7
181.05022	0.8
195.52026	0.3
196.06033	0.6
212.09190	8.9
220.06065	17.6
238.07089	3.6
254.06638	3.7
256.08270	0.4
295.08218	0.5
299.10483	0.3
316.08148	0.4
322.09222	0.4
334.09042	0.6
352.10233	0.6
370.11337	6.4
396.27045	0.4
524.17657	0.7
527.49567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.05506	23.5
57.03431	19.8
57.07078	48.6
67.05512	58.5
69.07071	14.4
71.04990	7.2
71.08638	43.1
71.55965	7.2
75.88517	5.6
79.05511	28.3
81.03421	100.0
81.07056	54.5
83.04964	9.8
83.08626	35.9
85.02917	6.0
85.10175	21.4
86.65289	5.4
89.06042	7.3
91.05501	33.2
93.07060	24.4
95.04972	25.3
95.08620	37.4
97.10188	8.3
103.44374	5.7
105.07038	29.6
107.08590	15.9
109.06520	5.5
109.10159	37.0
119.08576	23.9
121.10147	14.3
123.11662	8.6
129.06982	12.7
131.08582	6.5
133.10155	8.4
147.11732	13.3
153.26576	5.4
157.10129	12.1
173.69704	5.3
175.11273	7.9
179.14275	12.3
193.12254	50.4
211.13339	16.7
229.14297	19.5
230.12248	5.7
239.23607	8.1
267.15900	73.0
277.21597	12.9
312.02420	5.6
313.27393	97.6
391.87994	6.6
415.64767	5.8
505.39514	47.9
523.25000	7.9
523.39240	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	523.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.3
55.05503	32.4
57.03436	16.4
57.07085	53.6
59.04989	24.0
67.05511	75.9
69.03423	25.2
69.07064	31.3
69.58085	46.1
71.04974	16.0
71.08632	36.9
74.06242	6.5
74.11217	6.8
79.05495	54.5
81.03430	38.8
81.07066	100.0
83.04983	15.4
83.08613	28.5
85.02917	15.3
85.10189	38.0
89.06029	21.3
91.05495	41.4
91.05992	7.3
93.07059	80.8
95.04955	12.3
95.08610	97.9
97.02895	11.6
97.06527	10.4
97.10153	11.8
98.20998	24.4
99.04480	10.1
105.07038	33.5
107.04987	7.0
107.08590	59.9
109.10165	33.4
111.04457	11.7
111.08057	17.8
115.03932	7.3
117.07041	14.1
119.08585	26.4
120.50644	6.6
121.10117	32.9
123.08067	12.6
123.11713	25.7
127.03896	9.7
131.08580	34.2
133.08615	16.7
133.10167	34.3
135.11729	18.5
137.13237	11.2
139.07564	14.6
141.09111	10.0
143.08536	9.5
145.10175	13.8
147.11685	19.7
149.13214	17.5
151.07605	11.8
159.11687	9.3
161.13271	9.4
163.14819	9.1
173.13205	18.8
185.13266	10.6
193.12294	8.8
206.31776	7.1
209.11722	17.4
261.22159	32.4
267.15985	10.3
273.22076	7.7
277.21689	17.0
303.23172	10.4
313.27509	9.9
315.23209	9.5
369.24237	40.1
387.25171	34.2
405.26389	47.3
411.10507	7.4
423.27420	15.2
487.34409	9.5
505.34497	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	523.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.5
55.01861	7.2
55.05510	17.4
57.03447	8.6
57.07070	8.6
67.05513	37.4
68.57949	8.3
69.03428	18.4
69.07075	48.5
70.06599	37.8
71.04974	7.7
71.55573	9.6
72.08160	19.4
75.86867	6.6
79.05499	33.8
81.03421	24.4
81.07060	100.0
82.31529	6.8
83.04990	16.6
83.08627	19.9
84.08144	13.1
85.02921	27.3
85.06536	9.4
86.09702	15.1
90.54486	6.9
91.05495	40.6
93.07048	74.4
94.86382	7.1
95.04963	27.9
95.08618	85.5
97.02882	24.6
97.06530	30.6
97.10146	11.9
99.04407	9.4
105.07038	39.2
107.08577	53.4
109.02872	16.2
109.06522	15.7
109.10163	65.8
111.08052	9.8
111.11745	10.0
113.88452	7.3
119.04945	12.2
119.08584	45.0
120.08146	9.2
121.06517	15.0
121.10149	51.6
123.04421	8.4
123.08139	12.3
123.11728	38.8
125.09656	9.4
127.03944	15.8
128.06306	7.6
131.08606	17.7
133.10133	43.2
135.08041	8.6
135.11688	22.9
135.53816	7.0
137.05986	77.5
137.09621	15.8
137.13269	17.4
139.11156	9.0
145.03024	7.9
145.06479	8.8
145.10104	21.0
147.04422	13.5
147.11674	29.1
149.09615	7.9
149.13257	28.8
151.07584	16.0
153.05463	9.6
159.11703	20.4
161.06024	11.6
161.13232	11.1
161.33452	7.0
163.03828	10.3
163.07530	10.0
163.11241	7.9
163.14792	8.2
167.07147	10.8
175.14810	14.2
176.15207	12.3
177.05487	12.3
177.09151	8.2
177.16414	11.5
181.08589	15.0
229.15787	9.2
238.80193	6.9
271.24252	16.2
289.25229	24.8
307.26294	35.4
325.27493	13.7
363.00320	8.0
373.16693	12.0
479.22836	7.7
523.21259	20.9
523.31598	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.0
55.01865	6.1
55.05501	18.9
57.03443	7.3
57.07070	8.5
61.02919	7.4
67.05514	29.5
67.25819	4.9
69.03426	18.4
69.07064	27.9
70.06602	100.0
71.04986	8.6
71.14730	13.2
72.08158	17.4
72.57618	5.4
79.05497	34.0
81.03416	20.4
81.07070	63.1
83.05009	8.4
83.08609	8.6
84.04530	10.2
84.08144	13.2
85.02906	17.3
85.06542	10.9
86.09718	12.4
91.04962	5.1
91.05464	30.2
93.07062	37.6
95.04967	20.3
95.08604	66.3
97.02901	21.6
97.06545	22.7
97.10186	9.2
98.06041	5.2
99.04462	6.3
99.08061	8.3
103.05457	8.6
105.07044	40.3
107.04962	6.5
107.08581	21.9
107.15212	5.6
109.02883	14.1
109.06506	11.2
109.10149	37.9
110.09650	9.0
111.08052	10.1
117.07063	9.8
119.04958	7.3
119.08580	29.7
120.08110	39.2
121.06500	6.5
121.10146	27.7
123.08091	8.5
123.11707	15.6
125.05975	5.4
125.09657	9.1
127.03915	15.4
127.08680	5.9
131.04922	6.5
131.08568	14.6
133.10124	22.8
135.11691	21.0
137.06010	52.8
137.09637	8.4
138.09126	15.8
139.11172	6.5
143.07095	5.6
145.02861	9.6
145.06497	6.4
145.10132	14.4
147.04431	10.6
147.08008	6.8
147.11624	9.4
148.07579	10.3
149.13222	7.5
151.03922	25.8
151.07530	8.2
152.07074	10.9
153.05472	11.6
155.08185	10.7
158.09688	6.3
161.05991	10.0
161.13289	10.0
163.03923	10.4
163.07483	10.2
163.14792	7.6
166.08614	25.2
167.07034	8.7
167.08971	15.3
169.10249	7.2
173.13248	8.1
177.05513	8.5
203.07079	6.7
221.12845	9.4
229.15465	29.1
231.77718	6.3
257.12900	9.8
271.24014	6.1
275.20099	5.8
276.12332	46.0
289.25058	7.1
307.26498	7.0
373.16425	15.5
376.18015	15.2
388.53937	6.5
487.27356	6.0
505.28564	9.9
520.44336	5.2
523.20514	7.2
523.32190	6.9
531.47919	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	523.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.01887	1.2
55.05513	4.9
57.03439	0.9
59.04991	0.2
59.80484	0.2
61.02925	0.6
65.03950	1.2
67.05508	23.7
68.99799	0.7
69.03434	5.8
69.07084	0.7
70.02505	0.6
70.06603	0.2
70.42068	0.2
71.04999	1.0
72.08157	0.3
73.02909	0.9
79.05494	1.5
80.06273	0.4
81.03424	6.4
81.07064	2.3
83.04990	0.3
85.02910	7.2
85.06125	0.2
85.06545	1.0
87.00832	3.9
87.04468	0.3
91.03933	0.3
91.05469	1.7
93.07047	5.3
95.04986	0.9
95.08611	100.0
96.08935	0.5
97.02905	3.7
97.06527	1.9
97.10155	0.2
99.04467	1.8
99.08092	0.3
100.82298	0.2
103.03931	0.3
105.01862	2.2
105.07032	1.6
107.04996	0.2
107.08606	1.2
109.02882	4.6
109.06542	1.1
109.10168	0.6
111.08112	0.2
114.81557	0.2
115.05389	0.2
117.01856	0.6
117.07021	0.4
119.08591	1.8
121.06501	0.4
121.10141	1.3
123.08072	0.5
123.11716	0.3
125.09692	0.3
127.03924	6.7
128.06244	0.3
129.01813	0.7
129.07036	0.4
131.08546	1.0
133.10115	1.2
135.11671	0.3
137.05972	0.5
141.06964	0.2
142.07816	0.3
143.08611	0.4
145.04964	2.1
145.06096	0.3
145.10117	1.3
147.02908	0.3
147.04388	0.2
147.08069	0.8
147.11697	0.8
151.07524	0.5
153.05446	0.3
155.08543	0.3
156.09319	0.4
157.10135	0.6
159.01700	0.2
159.02901	2.9
159.08043	0.4
159.11720	1.0
160.08833	0.2
161.09648	0.7
161.13281	0.3
163.03932	0.3
163.07593	0.2
163.11169	0.4
165.09167	0.3
165.12706	0.2
167.08577	0.2
168.11765	0.2
169.10109	0.2
171.11694	0.5
173.09648	0.2
173.13220	0.3
174.10405	0.2
175.07538	0.3
175.11230	0.4
185.13316	0.2
187.07463	0.2
189.04007	0.3
189.12778	1.4
195.08118	0.2
199.14832	0.3
213.03920	0.4
213.09039	0.3
217.08632	0.2
219.13840	0.4
231.04935	1.1
233.15564	0.2
257.19006	8.8
275.20203	0.4
285.07437	0.3
313.07059	0.5
327.15839	0.6
330.40686	0.2
355.15546	0.2
373.16409	2.4
391.87231	0.2
398.25400	0.2
413.61380	0.2
479.26114	0.3
523.18201	0.4
523.25311	5.2
534.32422	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	523.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01883	1.0
55.05510	4.6
57.03432	0.9
61.02932	0.9
65.03949	1.1
67.05507	23.7
68.99794	0.8
69.03429	5.9
69.07064	1.0
69.52367	1.0
69.52770	0.5
70.06589	0.4
71.04991	0.9
72.08154	0.4
73.02920	1.0
79.05486	1.7
80.06277	0.5
81.03419	5.9
81.07063	2.5
83.01335	0.4
83.04969	0.6
83.08622	0.3
85.02901	7.2
85.06535	0.7
87.00832	3.9
91.03948	0.3
91.05482	1.9
93.07053	5.3
93.67389	0.3
95.04967	1.2
95.08610	100.0
96.08929	0.4
97.02901	3.5
97.06534	2.6
99.04456	2.3
101.02391	0.3
105.01881	1.9
105.07038	1.8
107.04963	0.4
107.08583	1.1
109.02883	4.9
109.06500	1.2
109.10178	0.9
111.04438	0.2
111.08087	0.4
117.01843	0.4
117.07031	0.6
117.35681	0.2
119.08596	1.8
121.06533	0.3
121.10130	1.5
123.08100	0.6
123.11709	0.4
125.09625	0.3
127.02974	0.3
127.03921	6.7
128.06149	0.3
129.01852	0.7
129.07050	0.3
131.08575	0.9
133.10133	1.0
135.08066	0.4
135.11700	0.6
137.05994	0.3
137.09599	0.9
142.07788	0.3
142.81186	0.2
143.08574	0.8
144.09312	0.3
145.04939	2.0
145.10120	1.2
147.02908	0.4
147.08073	0.7
147.11694	0.8
149.09564	0.2
151.07568	0.5
156.09332	0.5
157.10155	0.6
157.30991	0.2
159.02904	2.6
159.08047	0.3
159.11711	0.7
161.06032	0.3
161.09680	0.6
161.13300	0.3
162.10477	0.3
162.18568	0.2
163.11191	0.6
165.09183	0.4
165.12737	0.2
167.07043	0.2
167.08640	0.2
171.07977	0.3
171.11751	0.3
173.13283	0.5
175.07607	0.3
175.11278	0.4
187.07550	0.4
189.09201	0.3
189.12801	1.3
195.08139	0.3
197.13379	0.3
201.12791	0.6
213.09116	0.3
217.08501	0.3
219.13811	0.5
227.10855	0.3
231.05023	1.2
257.19012	8.9
275.20099	0.8
313.14111	0.3
327.15900	0.5
339.78754	0.2
355.15656	0.5
373.16489	2.9
431.51111	0.2
467.19019	0.2
514.91357	0.2
523.18182	0.5
523.25232	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	522.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.05512	6.0
57.03471	4.5
67.05508	19.4
69.03429	10.4
69.07062	15.2
69.94341	15.8
70.06588	8.2
71.04980	20.5
72.08131	7.7
79.05498	21.5
81.03426	7.0
81.07057	100.0
82.06568	3.6
83.08620	8.8
84.08157	4.7
85.02911	23.8
85.06555	4.5
87.00827	6.6
91.05464	18.7
93.07046	46.7
95.04967	9.0
95.08610	28.5
97.02894	19.0
97.06533	10.0
98.20870	6.5
99.04426	4.5
99.08099	8.6
105.01855	18.3
105.07030	52.7
107.08591	57.0
109.02879	6.0
109.06432	3.1
109.10162	42.2
111.11673	5.3
116.20839	3.2
117.07042	6.0
119.08592	83.3
121.10172	8.4
122.06052	4.2
123.11704	25.4
125.09637	5.7
127.03929	14.8
127.11193	29.2
131.01331	3.4
131.08632	4.0
133.10121	37.1
135.11693	95.3
137.05954	7.6
137.13286	5.3
139.11125	3.7
143.10686	13.2
145.04936	4.4
145.10132	6.0
147.04424	13.8
147.11665	33.7
149.13309	9.2
150.09111	4.2
153.05511	4.0
153.12750	6.8
159.11728	4.5
161.13271	14.5
163.14795	4.4
167.06990	4.3
194.42145	4.7
203.17966	62.9
221.19029	55.5
228.10226	9.4
239.20143	4.0
243.06593	4.3
249.06055	5.8
274.08008	4.5
413.73810	4.0
522.19550	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	522.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01865	1.0
55.05516	12.9
57.03444	7.3
57.07068	1.7
62.67601	0.6
65.03941	0.7
67.05510	29.5
68.05824	0.5
69.07076	18.1
70.02943	0.6
71.04962	0.5
71.08632	1.0
71.55271	0.7
76.68626	0.5
79.05494	8.8
81.07063	28.1
83.04986	0.6
83.08625	8.4
85.06495	0.6
88.04005	6.9
91.05483	5.4
93.07046	7.1
95.04970	0.8
95.08615	19.9
97.06533	2.0
97.10171	3.9
98.98471	6.0
99.08106	0.8
105.07032	3.8
106.05023	1.9
106.66358	0.5
107.08612	4.1
109.06499	1.0
109.10163	9.6
111.08066	1.0
111.97935	0.5
115.48331	0.5
119.08592	2.7
121.10152	3.3
123.11698	2.8
128.07098	1.1
131.08592	0.7
133.10130	3.7
135.11716	2.2
137.13316	1.0
147.11728	1.6
149.13239	1.0
155.01096	0.6
161.13228	1.7
163.14835	1.1
173.02119	1.2
175.14761	0.8
263.23734	1.7
275.20041	0.7
337.27383	100.0
338.27710	2.9
350.27008	2.0
385.98996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.05503	0.7
55.56040	0.6
57.03436	6.1
59.04995	1.6
67.05486	1.2
69.03436	22.7
69.07060	1.2
69.25858	6.2
70.06574	1.3
71.04996	46.3
73.02912	1.9
79.05505	1.2
81.03401	1.8
81.07064	6.2
85.02425	1.1
85.02908	16.0
87.04469	13.4
87.08109	1.7
91.05482	1.0
93.07032	1.5
95.08602	2.0
97.02897	17.5
97.06510	0.7
105.07045	3.2
107.08598	4.2
109.02840	1.0
109.06500	1.3
109.10152	0.9
115.03938	21.2
119.08585	2.4
121.06560	0.7
121.10152	27.3
122.84010	0.6
123.08064	1.5
123.11716	36.1
127.03911	3.1
133.04977	18.1
133.10120	3.0
135.11700	1.7
137.05972	1.0
137.09636	1.0
145.04961	1.9
147.04417	0.8
149.13261	1.5
150.07613	0.9
151.11197	6.4
151.14815	0.7
159.23114	0.7
165.12784	6.1
165.16397	1.2
175.14871	6.4
175.75516	0.7
193.15894	100.0
194.16267	1.7
202.91534	0.6
211.16946	69.9
212.17181	0.7
229.17976	1.8
241.07104	0.9
259.08151	1.4
387.32529	0.7
396.05280	0.8
520.13696	0.7
522.19116	0.6
533.37500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41633	0.3
53.00297	0.3
53.03947	0.4
57.03432	0.6
61.02922	1.1
63.02397	0.3
69.03434	1.8
70.06598	1.9
71.04993	0.3
71.54125	0.3
72.08146	0.4
79.05476	0.8
81.03396	1.0
81.07063	0.2
84.04490	0.5
84.08110	0.4
85.02428	0.4
85.02912	7.1
86.09746	0.3
89.03916	4.0
91.03977	0.3
91.05491	0.6
95.04980	0.6
97.02876	2.3
99.04430	0.5
107.04947	2.4
109.02896	0.9
111.04398	0.4
116.07107	1.1
117.03387	7.0
121.06544	0.3
123.04416	0.9
124.07661	0.3
127.03919	1.3
135.04425	15.9
139.03928	0.7
142.43204	0.3
145.02856	13.0
145.04901	2.6
150.09212	0.4
162.07652	0.3
163.03911	100.0
164.04256	1.0
165.05482	0.4
177.05463	0.4
180.08707	0.6
181.04968	45.7
182.05380	0.3
182.91876	0.3
224.52780	0.3
239.50755	0.3
325.09088	0.5
341.10300	0.3
344.11337	0.4
349.23502	0.3
351.55966	0.3
494.16904	0.3
522.22223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.7
55.01871	11.7
55.05519	44.1
57.03428	13.8
57.07077	8.7
65.03931	4.5
66.01873	3.8
67.05513	81.2
68.71558	4.1
69.03435	38.3
69.07075	34.1
71.04983	11.9
71.55818	5.7
79.05495	83.8
81.03429	33.5
81.07062	80.5
83.04974	17.1
83.08618	23.0
85.02907	35.7
85.06506	4.8
91.05474	79.1
93.07051	100.0
93.70538	4.2
95.04977	13.1
95.08615	40.4
97.02890	17.8
97.06506	5.7
97.10184	8.0
99.04490	4.8
99.08146	4.5
103.04011	4.8
105.07036	96.6
107.04983	5.7
107.08603	55.9
109.02895	6.6
109.06565	6.4
109.10159	29.5
111.04448	9.3
111.08112	4.9
115.05433	7.1
117.07030	37.1
119.08578	80.2
121.06528	5.8
121.10159	44.6
123.08137	5.4
123.11772	5.5
125.09683	6.0
127.03951	12.5
129.06999	22.7
131.08582	59.5
133.10153	52.6
135.08066	6.4
135.11690	41.6
141.06956	5.7
142.07771	5.8
143.08551	28.2
145.10153	50.4
147.08035	9.8
147.11681	39.2
149.09602	5.9
149.13239	22.5
154.94247	5.5
155.08549	17.4
156.09325	4.8
157.10130	36.5
159.08063	7.6
159.11708	54.7
161.13223	25.3
163.14714	6.7
167.08575	6.6
169.10193	12.3
171.11731	19.8
173.09578	8.0
173.13310	29.7
175.14861	10.3
181.10043	5.1
183.11691	14.7
185.09625	5.2
185.13297	20.9
187.11357	5.4
187.14845	10.7
197.13289	13.0
199.14787	9.0
201.16466	6.0
211.11223	5.9
211.14943	5.7
213.12791	5.5
215.14352	8.6
231.21153	5.9
241.19514	16.2
257.19043	17.6
259.20584	34.0
271.20612	11.0
273.22137	7.0
275.20157	22.1
277.21753	10.8
283.20715	9.9
289.21655	7.1
295.20532	4.6
301.21597	31.8
313.21637	11.4
343.22739	4.5
349.21677	10.5
357.24362	7.2
367.22684	26.2
385.23721	43.9
403.24936	54.1
421.25879	37.8
503.34311	5.1
521.34680	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	522.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01872	1.2
55.05504	6.4
56.05027	1.9
57.03425	1.9
57.98807	1.4
58.68886	0.7
58.99587	20.3
60.99158	0.8
61.01147	1.5
61.02942	0.9
62.06078	0.9
63.27987	0.7
67.05504	10.9
69.03422	2.0
69.07077	7.3
69.44142	3.2
69.44566	2.7
70.02909	0.7
70.06593	12.8
71.04977	3.9
72.08168	3.5
73.01132	2.2
73.02940	0.9
74.00650	1.0
74.06097	1.1
76.01827	1.1
76.02234	15.5
76.04001	4.2
77.05876	0.7
78.01814	1.8
79.05492	7.1
80.05016	1.6
81.03421	1.4
81.07058	26.7
83.04979	2.5
83.06107	2.8
83.08617	5.5
84.04512	8.9
84.08141	2.3
85.01141	1.0
85.02904	2.6
85.06573	3.9
86.09698	2.3
86.99063	11.5
87.02681	1.4
88.02213	4.1
91.05458	8.3
93.07047	9.6
94.06554	0.8
94.07391	0.7
95.04981	1.2
95.08612	29.0
97.01143	1.4
97.02883	3.2
97.06529	7.0
97.10160	2.8
99.02682	1.2
99.05569	2.7
99.08082	2.8
105.07043	8.9
107.04930	1.5
107.08601	5.0
108.08875	0.8
109.02944	0.8
109.06519	1.6
109.10165	4.1
111.02673	2.9
111.08086	2.3
113.04263	1.1
114.03733	0.9
116.01682	59.0
117.07038	1.5
118.01250	1.6
119.08582	13.1
120.08128	4.6
121.10160	4.9
123.08066	3.0
123.11727	1.1
124.03915	1.2
125.04182	1.0
127.03905	1.9
127.08664	1.5
129.06555	3.9
130.04997	5.9
131.08603	1.6
133.10126	10.3
135.11691	5.6
136.07620	1.2
137.05966	1.4
137.09683	1.5
137.13274	6.0
137.62398	0.9
138.06351	1.1
141.06622	0.8
142.03246	7.0
144.01155	24.0
145.06096	2.8
145.10112	1.0
147.04410	2.7
147.07686	0.9
147.11668	1.2
149.13278	2.2
155.08163	0.8
159.11755	1.6
161.05922	0.8
161.13263	22.9
162.02209	100.0
162.13658	0.8
164.01741	1.0
170.02759	1.6
174.13591	0.8
175.14810	1.5
176.10660	0.8
177.05505	0.9
177.12659	0.9
179.04890	3.2
179.14317	19.2
180.03102	0.8
187.05324	0.9
197.15382	18.3
199.07246	1.0
215.16432	5.6
221.12932	1.2
223.07608	0.8
229.15552	4.6
233.05994	1.1
237.13142	1.6
245.05861	2.3
255.14088	6.8
265.08359	0.9
271.06036	1.5
272.06339	2.0
272.16800	3.3
273.06573	1.5
273.15216	25.5
274.06781	1.3
286.17728	1.0
290.17834	2.7
300.16205	2.0
340.15747	2.8
358.16907	8.1
373.17484	1.2
374.18188	1.3
375.17752	7.8
376.17850	15.9
393.20557	31.0
394.20996	0.9
447.21600	10.5
478.23782	0.8
504.23441	2.7
505.22247	1.2
522.18463	1.1
522.24896	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	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93883	1.2
55.05507	2.9
59.03367	1.4
60.08171	15.5
66.33613	1.1
67.05511	6.7
69.07074	2.7
71.07372	5.8
71.55723	1.3
79.05511	2.7
80.31646	1.2
81.07052	6.4
84.98895	1.4
86.09214	2.6
86.09715	53.0
86.10242	2.7
89.70506	1.3
91.05431	2.0
93.07046	3.7
95.08598	3.8
96.65407	1.4
97.10146	1.8
98.09679	7.4
98.98466	4.9
104.10750	100.0
105.07066	2.4
107.08588	2.6
107.94112	1.3
109.10176	2.8
119.08601	1.7
125.00018	30.5
184.07353	95.1
196.07367	7.2
307.89264	1.6
350.74930	1.4
502.32861	11.7
520.33997	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	521.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	13.2
55.01866	7.4
55.05515	26.7
55.59724	2.3
57.03426	8.7
57.07059	7.7
61.02915	3.5
65.03927	3.2
65.16604	2.4
67.05178	3.6
67.05506	57.2
68.99778	6.9
69.03090	4.0
69.03433	61.1
69.07072	48.4
70.06590	6.2
71.01327	4.2
71.04982	10.1
71.08602	3.2
72.08151	4.7
73.02908	3.7
79.05492	40.7
81.02977	4.2
81.03419	47.5
81.07059	95.2
83.04993	12.8
83.08622	17.8
84.08123	2.6
85.02908	33.1
85.06537	3.1
87.00832	16.9
87.04469	2.5
91.05488	39.1
93.06478	4.3
93.07044	66.7
94.07394	2.5
95.04970	24.0
95.08606	100.0
97.02891	22.5
97.06525	12.2
97.10159	11.9
99.04482	19.5
103.03938	3.1
105.01849	3.3
105.04498	2.9
105.07028	56.3
107.04942	8.0
107.08596	46.4
109.02878	26.8
109.06503	9.7
109.09465	4.3
109.10154	57.7
111.04453	16.1
111.08064	6.9
111.11672	5.4
113.05997	2.4
115.03912	6.2
115.05443	3.4
117.07008	9.0
119.04922	2.5
119.07790	4.0
119.08590	44.6
121.06475	8.8
121.10155	41.5
123.04417	9.5
123.08060	8.2
123.11722	25.0
125.09624	3.4
127.03917	43.7
128.06216	3.7
129.06978	5.9
131.08551	21.1
133.06500	6.2
133.10115	29.5
135.08035	9.4
135.11681	30.0
137.05966	11.5
137.09590	6.9
137.13240	11.8
139.03874	2.7
141.06941	2.6
143.08546	13.7
145.06480	2.4
145.10144	19.4
147.04350	4.3
147.08043	9.6
147.11678	29.3
149.06081	2.4
149.09581	6.2
149.13251	22.9
151.07571	4.9
151.11165	5.6
153.05412	4.2
155.08519	4.2
157.10123	10.1
159.02849	5.7
159.07954	5.9
159.11656	22.0
161.06007	3.3
161.09590	10.2
161.13263	13.0
163.07550	3.8
163.11192	5.3
163.14844	12.3
165.09059	4.5
167.06969	2.8
169.10176	5.8
171.08058	2.9
171.11711	6.1
173.09592	3.9
173.13324	11.8
175.11163	4.8
175.14822	8.9
177.09171	3.1
177.12584	2.9
177.16370	7.1
179.10680	5.5
181.10161	3.2
183.11551	4.4
185.09691	3.6
185.13269	5.5
187.07536	2.4
187.14784	6.7
189.12817	2.8
189.16315	3.7
190.49055	2.9
191.17982	3.8
197.13243	4.5
199.11142	4.0
199.14841	7.0
201.09149	3.3
201.16335	4.4
203.17891	3.9
213.03934	19.8
213.12776	2.9
213.16347	3.0
215.14322	3.1
215.18001	4.0
217.19582	5.1
231.05000	8.9
241.15805	3.2
241.19708	2.7
271.24222	4.2
273.25851	3.3
275.26758	3.0
285.25751	3.4
289.25085	2.9
303.26807	3.8
313.25266	5.4
314.60556	2.4
331.26306	4.8
370.08490	2.8
371.29544	3.4
381.28067	12.4
399.28915	25.5
417.29874	13.7
435.30954	3.9
454.98120	2.7
485.28839	5.6
503.29999	19.2
521.18066	5.5
521.31128	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	6.5
61.02926	0.9
64.40646	0.6
69.03425	2.7
69.82339	2.5
69.82742	1.1
70.06589	6.0
72.08157	2.2
73.02927	1.4
73.06562	0.9
75.64679	0.7
81.03410	1.0
81.07045	0.9
84.08135	1.4
85.02896	4.6
86.09704	1.9
87.04460	4.0
89.06034	100.0
91.05443	1.8
91.07575	0.9
97.02895	3.4
103.07596	2.7
105.07049	1.1
107.04952	1.1
107.07075	2.0
116.07108	2.1
119.04955	2.4
119.08593	0.8
119.37666	0.7
120.08088	2.3
123.04438	0.6
127.03930	2.0
128.07091	2.0
131.07074	0.8
133.08607	46.9
137.05995	0.9
139.03854	1.6
145.02881	0.9
145.04984	1.1
147.04419	10.7
147.10159	1.9
151.09677	1.6
163.03972	2.4
166.08652	2.9
177.05434	1.5
177.11230	18.6
177.12686	1.3
179.12679	0.7
181.04974	1.1
191.12813	1.4
195.12372	3.7
207.13908	2.0
208.14134	2.4
212.09175	6.7
221.13898	2.0
239.14899	4.3
283.17523	57.0
309.09335	0.8
341.21710	41.5
342.21765	0.7
467.84042	0.7
520.30402	0.8
521.31293	0.9
525.96875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71062	0.6
55.01864	1.4
55.05503	2.6
57.03429	2.7
57.07054	1.3
59.04985	1.5
62.06074	2.6
65.03931	0.8
67.05511	4.7
67.46046	0.7
68.05032	1.0
69.03432	41.6
69.07066	4.4
70.06604	5.2
71.05000	1.5
71.55910	0.8
72.08143	2.4
73.02914	1.9
76.02236	3.0
79.05483	3.0
81.03423	2.3
81.07064	6.9
81.71593	0.7
83.04980	3.7
83.08598	1.9
84.04513	1.8
84.08142	1.3
85.02898	8.7
85.06533	2.3
86.09705	1.5
87.00819	1.0
87.04466	6.8
91.05459	4.3
93.07065	4.9
94.06547	0.9
95.04966	1.5
95.08611	8.5
97.02902	9.6
97.06541	4.5
105.07038	6.1
107.04945	1.6
107.08610	11.1
109.02885	1.4
109.06541	5.0
109.10138	3.8
111.08080	2.5
115.03944	7.1
115.92569	0.6
116.01707	1.3
116.07090	2.2
117.07046	1.2
118.05780	0.7
119.08568	3.5
120.08135	1.4
121.06497	2.3
121.10150	9.3
123.08054	1.9
123.11733	5.1
125.09630	17.2
127.03918	3.1
128.07127	1.0
131.08563	5.0
133.04973	3.9
133.10153	6.6
134.34457	0.7
135.08087	8.2
135.11688	5.4
137.05983	3.1
143.08531	1.2
144.01166	0.8
145.04974	1.0
145.10162	4.3
146.06122	1.0
147.04440	1.2
147.11684	3.4
149.06030	0.9
149.09616	5.5
149.13210	3.5
151.11159	2.3
152.10680	1.2
153.09084	6.7
158.10910	3.1
161.09666	1.1
162.02211	1.7
163.11165	2.4
163.14795	4.8
164.07053	1.0
165.12752	3.0
173.13261	15.1
176.10707	3.0
177.05496	1.4
177.12769	0.9
179.04854	1.4
191.14311	59.2
194.10118	0.9
194.11781	2.1
201.16385	1.6
209.15373	100.0
210.15694	0.9
219.17430	2.0
252.14247	1.0
270.15085	1.1
272.06357	1.7
288.16183	1.0
297.11493	0.7
300.06311	1.0
373.17969	8.1
520.25336	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	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43822	1.3
50.55110	1.5
51.89894	1.5
53.03933	2.2
55.01861	1.7
55.05499	2.7
56.05035	1.6
57.03420	4.2
57.07404	1.5
61.02914	1.4
64.92655	1.6
65.03926	2.5
67.05499	3.3
69.03426	19.3
69.07062	3.2
69.24402	10.4
69.24813	3.9
70.06595	9.2
71.04974	1.4
71.06905	1.4
72.08128	3.2
73.02901	2.1
78.83581	1.4
79.05489	4.2
81.03408	4.0
81.07038	5.7
83.04980	1.7
84.08121	2.2
85.02899	13.6
86.09711	4.8
87.04474	11.4
90.21272	1.4
91.05471	12.3
93.07026	5.2
95.04943	3.6
95.08602	2.2
97.02902	14.2
97.06519	2.7
98.20698	2.8
99.04444	2.2
101.06038	1.7
103.05423	2.0
103.83569	1.5
105.07032	15.4
107.08624	7.6
109.02792	1.5
109.06543	2.0
109.10144	2.0
114.05511	1.9
115.03934	15.8
116.06273	1.6
116.07041	2.0
117.07005	7.1
119.08589	17.5
121.10161	6.9
123.08067	1.8
124.07549	2.1
127.03911	6.0
128.06227	2.3
128.07069	2.2
129.07008	7.2
130.07753	1.6
131.08554	23.3
133.04964	12.1
133.10117	5.4
135.08073	1.8
136.07545	3.4
137.06006	2.8
140.07170	1.5
141.06909	1.7
143.08571	15.9
144.09319	5.0
145.05067	1.6
145.10124	16.7
147.04410	3.3
147.11714	9.4
149.09587	1.9
150.07617	4.9
156.09311	2.4
158.10896	17.7
159.11647	2.2
161.13246	2.1
171.11670	1.6
173.13263	100.0
177.05457	2.2
191.14308	35.6
201.16357	3.8
212.11386	1.6
214.14308	4.8
253.10844	3.4
254.11475	3.3
271.06009	5.3
272.06296	5.3
277.09335	2.1
317.76294	1.6
323.18448	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
53.03942	3.7
55.01868	4.2
55.05515	8.5
57.03441	3.3
57.07084	5.7
61.02937	4.9
61.62471	2.7
67.05521	16.2
69.03436	13.9
69.07079	14.8
70.06586	3.7
71.04998	7.2
71.55313	3.4
72.08150	2.8
79.05502	10.4
81.03448	6.8
81.07062	45.8
83.08618	9.9
85.02911	24.8
85.06553	8.0
87.00838	8.4
91.05482	10.4
93.07059	25.5
95.05018	2.8
95.08611	36.9
97.02892	13.1
97.06557	4.0
97.10173	5.2
99.04455	53.2
105.01884	2.7
105.07039	9.5
107.04906	2.8
107.08593	25.5
109.02915	7.1
109.06520	3.3
109.10162	33.7
111.08096	4.8
117.05518	8.2
119.08581	21.0
120.30061	2.6
121.10150	46.1
123.08103	5.2
123.11713	43.6
125.09662	5.5
127.03925	12.0
127.07588	4.3
131.08568	3.0
133.10117	14.2
135.08105	2.8
135.11754	12.4
137.05966	3.5
137.09618	4.4
137.13289	3.3
145.05005	3.1
145.10117	6.0
147.11687	5.3
149.13307	4.3
150.09116	3.0
153.09154	3.0
159.11707	12.6
161.13266	16.2
163.11209	6.8
167.10672	4.1
175.14825	9.7
177.16380	50.0
179.14297	6.7
180.10323	2.7
181.12253	7.9
191.17883	2.6
201.16399	29.2
219.17462	36.5
220.46819	2.7
221.77344	2.7
231.05334	2.6
237.18504	100.0
255.19585	58.3
505.78287	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	520.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21105	1.0
53.03947	1.8
55.01880	2.6
55.05518	4.9
56.05039	4.8
57.03432	1.1
58.57018	0.8
58.99591	14.4
67.05506	15.6
68.05040	1.9
69.03432	3.9
69.07057	3.5
69.53037	3.6
69.53458	2.2
70.02977	0.9
70.06586	3.2
71.04971	2.3
72.08156	2.3
73.01141	1.6
74.00668	1.6
76.02233	32.3
76.03996	2.8
79.05498	9.1
80.04995	2.1
81.03401	1.3
81.07066	20.7
82.06569	1.1
83.04982	1.8
83.06098	2.1
83.08609	3.8
84.04507	9.6
84.08153	1.6
85.01150	1.3
85.02906	3.6
85.06535	2.4
86.00654	7.1
86.99062	6.6
87.00851	1.2
87.02682	2.3
88.02246	3.8
91.05485	7.6
91.64889	0.8
93.07056	14.2
94.06566	2.5
94.07381	0.9
95.04950	2.6
95.08610	9.4
97.01118	7.1
97.02906	4.3
97.06538	3.0
99.04379	1.0
99.05580	1.4
99.08069	1.0
102.04910	0.8
102.05519	4.1
105.07037	8.3
107.04961	1.0
107.08603	10.4
109.06535	1.6
109.10181	4.9
111.02671	6.0
111.08076	2.0
112.02219	1.1
114.03774	2.5
114.05519	1.3
116.01687	26.5
117.07003	3.7
119.08571	4.8
121.06522	0.8
121.10139	5.6
123.02621	1.5
123.04355	1.0
123.08066	1.4
123.11729	1.8
125.04235	1.0
127.03897	1.8
127.48505	0.8
129.06625	3.3
130.04994	3.7
131.08589	7.3
133.10118	6.9
135.08066	1.5
135.11685	3.5
137.04195	1.1
137.05939	2.8
139.05727	0.9
141.04785	1.1
142.03224	3.5
143.10646	1.2
144.01143	8.8
145.06070	1.6
145.10159	4.1
147.04457	0.9
147.11656	3.2
149.09746	1.2
149.13278	7.4
151.05899	0.9
151.11183	3.0
159.11664	7.4
161.13211	1.3
162.02205	22.9
165.07343	1.5
170.02719	1.6
173.13258	2.7
177.12784	5.0
179.04860	19.8
183.08401	1.0
187.05389	1.9
188.03780	1.0
189.03333	2.7
191.08957	1.1
194.15387	2.9
195.13828	8.7
198.14922	1.3
201.16350	2.5
206.15407	1.2
207.12045	1.2
212.16495	3.3
213.14894	3.9
215.05099	1.6
218.15393	0.9
219.17532	2.0
222.14601	0.8
224.16493	1.9
226.12625	2.7
229.48935	0.8
233.05869	2.6
235.11560	1.7
244.13556	2.0
244.15749	1.1
245.05943	2.4
252.14137	8.5
253.12627	3.0
270.14917	17.8
272.06332	1.0
288.16324	18.1
298.14362	1.7
308.09113	2.3
312.12634	3.4
324.18173	0.9
327.17145	1.9
340.08862	1.3
345.87314	0.8
355.16861	3.3
356.15494	1.0
358.10013	1.2
373.17941	100.0
374.18167	1.3
391.18985	3.9
398.27805	1.0
399.19473	1.8
427.19128	1.8
439.18484	0.9
445.20123	5.9
502.22064	3.2
503.20932	1.0
520.23474	7.0
520.30237	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38230	0.7
55.05501	1.0
56.05045	0.8
57.03444	1.1
57.93590	0.7
67.05495	3.1
69.03430	1.8
69.07062	2.8
69.94442	1.2
69.94852	2.7
70.06593	64.6
71.04987	2.3
79.05487	3.3
80.05015	2.2
81.03414	0.8
81.07059	3.8
83.04983	0.8
84.04488	1.0
85.02901	2.8
91.05469	1.6
93.07050	2.2
95.04955	1.4
95.06078	0.7
95.08615	2.0
97.02901	1.8
97.06516	1.5
98.92873	0.9
103.05502	0.9
105.07016	3.1
106.46230	0.7
107.08585	3.3
108.04472	1.8
109.02895	1.0
109.06499	0.9
109.10176	1.3
110.06066	0.8
113.06003	1.5
116.07094	100.0
117.07037	0.9
118.06570	1.7
119.08601	2.3
120.08083	1.9
121.10141	1.3
123.04442	11.7
123.08060	0.9
124.07596	3.7
127.03915	1.1
131.04921	0.9
131.08583	2.3
132.08087	2.1
133.06543	1.0
133.08836	1.2
133.10162	1.3
134.06041	1.5
134.09607	1.0
135.04430	0.9
135.05547	0.8
135.08064	1.2
135.11690	1.1
135.59760	0.8
136.07579	1.2
137.05949	1.7
141.06960	1.0
145.06514	1.3
146.05991	4.3
146.09660	1.3
147.04434	1.4
147.05550	1.4
148.07573	1.4
148.11177	4.4
149.07120	3.4
149.10727	1.3
150.09186	1.1
152.10661	5.7
153.05496	5.4
154.05809	1.2
158.09679	0.9
159.08000	1.4
159.09192	3.1
160.07584	5.0
161.05902	0.9
161.07120	2.1
162.09125	1.6
163.08746	1.3
164.07094	1.7
167.06976	1.2
167.08266	1.2
169.06456	0.8
173.05984	5.1
173.07036	1.2
173.10806	1.1
174.07893	1.0
174.09154	4.0
175.08676	3.0
176.10709	25.9
178.08638	3.2
181.06343	1.1
182.08185	0.9
185.07231	0.9
187.08826	3.5
188.07051	1.3
188.09378	0.8
189.10268	1.5
190.08665	1.4
192.10193	1.3
194.11757	3.4
196.09683	1.2
199.07526	1.3
201.06680	1.4
201.10265	2.9
202.08643	2.8
203.11815	1.6
205.09795	1.2
206.08142	10.1
211.08762	1.0
215.08243	3.8
218.08090	1.2
219.07646	1.2
219.11278	1.3
220.09740	7.4
221.09340	3.5
221.12827	4.3
229.09792	3.4
231.11336	0.9
232.09685	2.2
233.09238	5.8
234.10104	2.2
235.10744	4.7
236.11504	1.8
238.10663	0.9
239.16449	2.0
247.10806	17.9
249.12363	2.3
251.10291	2.2
256.11874	1.2
257.09192	2.6
261.12476	1.8
275.10260	6.7
279.13089	1.0
283.12738	3.9
284.12912	0.8
289.11810	7.5
290.12616	0.8
292.11771	0.7
293.11398	1.2
302.11227	0.8
307.12888	37.5
308.13580	3.5
309.14630	1.1
311.16400	0.8
329.17493	1.9
337.14209	1.9
351.15491	1.3
355.15320	4.1
361.19940	1.0
392.28445	0.9
403.18564	2.8
416.21945	4.1
444.21155	1.3
458.22986	7.1
476.23917	73.7
477.24136	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	520.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61185	0.5
53.03930	0.6
64.14394	0.5
65.03934	1.7
69.03442	1.2
69.25890	5.3
70.06589	0.9
72.33745	0.5
78.18922	0.5
81.03426	3.5
84.08154	0.9
85.02898	2.2
88.04021	0.6
91.05477	11.0
93.03389	0.6
95.04972	0.5
97.02869	1.1
107.04942	2.1
109.02876	1.5
109.10103	0.6
111.04444	1.6
117.03377	0.9
119.04946	25.8
127.03940	0.7
135.04436	5.2
137.05988	1.1
139.03899	9.7
145.02832	1.0
147.04416	100.0
148.04732	0.8
148.07582	0.6
151.06320	0.7
163.03925	2.2
165.05502	1.9
166.08647	23.8
172.79453	0.6
177.05463	2.0
181.04958	7.1
194.11702	1.1
209.15288	0.7
212.09186	47.9
272.06360	0.7
280.90054	0.5
291.08667	3.6
302.10449	0.6
309.09692	1.2
358.13165	0.8
374.14536	6.8
447.17685	0.7
507.51379	0.6
515.47559	0.6
520.18085	2.8
520.25513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55406	0.3
52.11723	0.4
53.03931	0.5
57.05814	0.4
61.25582	0.3
65.03938	1.5
69.03438	0.9
69.30064	0.3
69.80238	0.8
69.80650	1.1
70.06590	0.4
81.03420	2.6
81.42445	0.3
85.02910	2.1
85.24297	0.3
88.03992	0.9
91.05487	11.2
93.03407	0.5
93.69961	0.3
97.02895	0.6
99.04464	0.5
101.26681	0.3
104.40183	0.3
107.04957	1.7
109.02910	1.5
111.04474	1.9
119.04953	26.7
120.05297	0.5
123.04465	0.5
127.03912	0.7
135.04431	5.0
137.05980	0.6
139.03911	9.1
147.04420	100.0
148.04741	0.7
148.07652	0.5
163.03893	1.6
165.05467	1.1
166.08647	25.8
181.04979	6.0
212.09192	46.6
213.09525	0.5
279.03528	0.3
291.08636	2.8
309.09729	1.5
328.13828	0.8
358.12955	0.7
374.14465	7.7
474.17685	0.4
520.18060	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	520.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01873	1.9
57.03427	2.6
61.02921	3.8
62.89612	1.0
69.03433	8.4
70.06564	1.1
70.24027	4.0
71.04983	1.3
71.18600	1.0
73.02909	1.6
74.34770	1.0
75.40952	0.9
77.10712	0.9
81.03427	4.3
85.02912	33.2
87.04466	1.5
91.03971	0.9
97.02897	10.4
99.04462	1.3
103.05451	1.2
109.02882	3.5
116.08266	0.9
122.84415	0.9
127.03101	1.2
127.03917	6.8
131.04941	6.0
135.04425	3.0
137.02383	8.2
138.90935	0.8
139.03889	1.6
141.06847	1.1
143.04889	1.1
145.02846	1.1
145.04958	8.0
147.04436	1.9
149.05954	4.8
159.04420	5.8
161.02359	3.8
161.05998	2.4
163.03908	22.8
169.06456	2.5
173.05959	2.0
175.03922	4.7
177.05476	21.2
180.08661	1.7
183.04428	1.1
185.05995	1.5
187.03909	2.7
187.07553	1.1
189.05508	6.6
191.03412	1.8
193.05048	2.3
197.05936	5.7
199.03932	2.8
201.05457	6.5
203.03404	2.6
203.07045	1.7
205.04979	55.3
207.02881	7.4
213.05502	5.0
215.03394	1.9
215.07013	3.2
217.04964	13.1
219.06557	1.2
225.05463	1.1
229.04871	5.1
231.06564	3.0
233.04446	1.0
241.05009	3.5
243.06587	3.4
245.04497	4.4
259.06088	7.2
263.05573	1.5
277.07181	7.7
281.06619	1.3
294.33243	0.9
295.08206	2.5
305.06577	1.1
323.07629	100.0
324.08011	1.9
341.08658	6.6
358.11255	1.3
408.14688	1.1
520.16626	1.4
542.57574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
54.25063	1.2
55.01881	6.3
55.05500	2.4
56.76565	1.1
57.03438	14.6
57.07057	1.3
57.77743	1.2
59.04999	2.4
61.02928	15.8
61.60687	1.1
64.48338	1.4
67.05492	5.6
68.05017	1.4
69.03080	1.7
69.03432	22.2
69.07085	3.1
70.06604	6.5
70.54324	2.8
70.54683	2.3
71.01357	2.4
71.04977	1.5
72.08162	5.0
73.02921	93.6
79.05505	4.7
81.03416	6.6
81.07067	8.6
83.04965	3.1
84.08153	9.5
85.02905	38.1
86.09695	5.5
87.04450	4.0
91.05466	4.1
93.07065	6.4
95.04934	5.4
95.08624	8.0
97.02892	22.4
97.06541	6.2
99.04461	2.1
103.03938	1.8
105.07065	9.7
107.04926	2.2
107.08589	6.7
108.05741	2.1
109.02878	5.4
109.06516	8.4
109.10130	4.1
111.08109	1.3
115.03944	24.6
119.04958	1.5
119.08586	7.5
121.06503	5.2
121.10128	5.6
122.07295	2.1
123.08073	52.1
125.05979	3.5
127.03917	12.5
129.10152	1.4
130.08669	1.7
131.04958	1.8
131.08563	5.4
133.04974	19.7
133.06522	2.1
133.10141	8.0
135.08038	3.0
135.11707	2.1
137.06000	9.8
145.04948	14.7
145.10121	3.6
147.04424	4.2
147.08018	1.5
147.11693	4.7
149.09641	3.2
151.07545	100.0
153.09100	5.7
156.09285	2.1
159.06529	2.2
161.13278	3.3
163.05940	1.9
163.07401	1.6
163.11188	22.2
167.07051	2.4
171.11725	2.7
173.13234	2.8
181.12228	10.8
189.12750	20.8
191.14319	4.1
207.13806	78.3
208.14139	2.8
209.15396	11.0
223.06108	2.1
223.13297	2.5
225.14813	17.8
238.08672	3.3
252.10240	2.8
253.11018	8.2
253.15677	3.5
271.06015	13.1
299.06076	3.1
313.16449	1.7
327.11966	1.6
357.19116	4.1
357.23679	3.0
369.18961	2.0
374.98019	11.5
387.20193	4.9
392.98871	5.4
443.00766	1.7
501.23923	2.7
519.01923	5.0
519.24701	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1138
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03947	0.2
53.96955	0.1
55.05506	0.3
57.03430	0.2
58.99575	0.5
59.04987	0.3
61.65369	0.1
67.05508	0.4
68.99792	0.9
69.03417	0.6
69.07061	0.2
69.87572	0.2
69.87968	0.4
70.06590	0.7
71.04980	0.2
72.08165	0.3
73.02912	0.3
76.02234	2.4
77.02563	0.2
79.05480	0.2
81.03419	0.9
81.07046	0.3
83.04967	0.2
83.08603	0.2
84.04506	0.7
84.08155	0.6
85.02888	0.5
86.09712	0.2
87.00847	0.2
89.03904	0.2
91.05453	0.3
93.07030	0.3
95.01311	0.2
95.04958	0.4
95.08575	0.2
97.02896	0.5
97.06517	0.1
98.21516	0.2
99.04444	0.3
103.03987	0.1
105.07023	0.4
107.04971	0.2
107.08580	0.3
109.02863	0.5
109.10139	0.3
111.04412	0.3
111.27895	0.1
115.03967	0.2
115.05470	0.2
116.01696	0.7
117.03370	0.2
117.05491	0.4
118.05821	0.1
119.08572	0.4
121.10153	0.2
123.08096	0.1
127.03918	0.8
128.07065	0.2
130.05029	0.3
131.08537	0.2
135.04430	1.5
135.11734	0.1
137.02350	4.7
137.05995	0.2
141.07025	0.2
142.03220	0.3
143.03561	0.2
144.01137	0.3
145.04974	0.2
145.10023	0.1
147.04408	0.2
147.11688	0.2
151.03932	0.3
151.07561	0.2
153.54829	0.1
155.03413	1.0
157.06525	0.3
161.02356	2.0
162.02184	1.1
163.02522	0.2
163.03854	0.2
163.11247	0.1
165.12726	0.2
169.06502	0.2
177.05440	0.2
179.04889	1.8
179.06383	0.2
179.07054	0.1
180.05174	0.5
181.06476	0.2
185.05956	0.4
187.07463	0.1
193.12306	0.2
197.05969	0.4
201.05518	0.2
207.04892	0.2
207.13852	0.7
211.11208	0.1
211.13315	0.4
212.13672	0.3
225.05450	0.3
233.05980	0.4
234.06305	0.2
243.06500	0.2
253.04878	0.4
271.06027	100.0
272.06396	1.5
299.06293	0.2
308.09119	0.4
309.09427	0.5
367.56244	0.1
466.76782	0.1
519.11389	1.6
519.18823	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	518.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.2
54.47673	8.9
55.05513	35.0
57.03420	10.5
59.51872	8.3
67.05510	100.0
67.43664	9.4
68.35052	8.0
69.03434	10.8
69.07060	32.6
69.21165	90.3
79.05499	88.5
81.03407	23.7
81.07065	95.9
83.05013	11.8
83.08615	23.3
85.02907	17.6
86.09711	13.1
91.05481	55.2
93.07054	89.7
95.04995	10.8
95.08607	91.3
97.02897	11.2
97.06552	9.7
97.10185	12.6
98.09705	10.8
102.28813	9.0
105.07030	57.5
107.08607	68.6
109.06519	10.6
109.10168	57.4
112.32740	8.9
113.00046	38.9
117.07014	16.2
119.08569	39.9
121.10142	65.9
123.11692	22.6
127.03902	9.8
129.07028	11.2
131.08575	32.4
133.10135	37.1
135.11699	31.2
145.10124	44.6
147.11703	37.7
149.13287	23.5
159.11746	26.4
161.13293	15.5
163.14764	8.5
169.10181	12.4
173.13260	15.0
201.16481	11.0
219.21126	16.1
229.19548	43.1
247.20654	97.9
277.14285	9.0
321.24313	13.0
339.25345	20.9
355.22714	13.5
373.23907	14.6
389.26862	10.9
391.24808	11.4
406.30496	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	519.1137
Annotation	Apigenin 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03943	0.3
54.09979	0.2
61.02931	0.2
67.05502	0.3
68.99792	0.4
69.03416	0.6
69.07072	0.4
70.06582	0.8
72.08146	0.6
73.08508	0.2
79.05476	0.4
81.03419	0.7
81.07040	0.7
85.02895	0.8
85.06524	0.2
86.09744	0.2
87.00813	0.2
89.03898	0.2
91.05470	1.4
93.07044	0.6
95.04948	0.4
95.08588	0.4
97.02889	0.7
103.05486	0.2
105.01820	0.2
105.03446	0.2
105.07037	0.4
107.04944	0.3
107.08566	0.3
109.02867	0.6
109.10172	0.3
111.00822	0.2
115.05444	0.2
119.04940	1.0
119.08560	0.6
121.02870	0.5
121.10136	0.4
124.37917	0.2
127.03910	0.6
129.06955	0.2
130.39151	0.2
131.04979	0.4
131.08559	0.4
133.02766	0.2
133.10167	0.4
135.04367	0.4
135.08086	0.2
135.11618	0.3
137.05992	0.6
141.06984	0.4
145.02841	1.0
145.04877	0.3
145.06424	0.2
145.10117	0.3
147.04405	0.3
147.08018	0.2
147.11569	0.2
149.02339	2.5
149.09613	0.2
149.13295	0.2
151.03894	0.3
153.01834	5.2
158.16994	0.2
159.04391	0.8
159.08040	0.3
161.06012	0.4
162.02165	0.2
163.03995	0.3
163.57724	0.2
165.01852	0.4
167.07101	0.3
169.06532	1.0
173.06036	0.4
175.07509	0.3
179.04880	0.2
187.03864	0.4
187.07503	0.7
197.06065	1.0
199.07561	0.2
201.05423	0.3
213.03963	0.2
215.07042	5.6
225.05354	0.4
227.07458	0.2
229.05002	0.2
243.06496	3.3
247.42247	0.2
253.04941	2.1
271.06009	100.0
272.06314	2.0
299.06229	0.4
321.11063	0.3
373.17862	0.5
381.96710	0.2
408.00110	0.2
433.11142	0.3
452.00415	0.2
489.18411	0.2
519.11346	0.7
519.18524	0.3
519.30786	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	518.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.6
54.38124	2.4
54.59031	2.6
55.05512	5.7
57.03444	3.5
57.49122	2.6
59.04998	5.5
61.02935	4.9
67.05513	7.9
69.03424	20.1
70.06594	36.4
71.04992	6.7
71.55122	4.5
72.08165	6.9
73.02918	12.7
76.02245	5.5
79.05495	3.4
81.03414	18.5
81.07036	5.1
82.55116	3.1
84.08167	10.5
84.57984	2.7
85.02906	68.7
86.09714	8.3
87.04494	4.9
91.64448	2.8
93.07067	3.0
95.04958	2.7
95.08588	3.7
97.02893	42.3
97.06539	3.2
99.04462	37.2
103.03951	85.8
105.07033	5.5
109.02891	21.9
109.10145	4.4
110.07136	3.1
111.04474	3.3
116.01698	3.1
117.03370	5.5
117.05519	7.5
119.04996	5.1
119.08607	5.3
121.10184	2.8
127.02971	5.4
127.03922	100.0
128.07083	6.7
131.08607	5.3
132.04491	4.6
137.06026	3.3
141.05411	4.4
145.02895	16.1
145.04955	49.1
147.04437	9.8
151.03925	66.1
151.07533	3.9
163.06041	31.3
169.05020	7.1
177.05495	38.8
178.05005	46.4
179.04892	5.7
180.94810	3.3
187.06003	4.8
206.04503	73.9
207.13864	8.3
271.05988	12.5
271.08496	5.0
282.02188	3.1
295.08188	5.1
299.75525	2.5
307.10226	3.8
308.09177	3.8
356.15137	5.5
374.97931	12.1
388.96335	3.7
391.98904	3.7
392.99219	5.8
519.24780	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	517.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01860	3.2
55.05520	33.9
57.03433	5.3
57.07074	14.9
61.02915	6.3
62.23363	2.7
65.03936	3.1
67.05507	100.0
69.03431	5.3
69.07066	27.1
70.52717	2.8
70.53063	7.9
71.04977	3.0
71.08622	7.8
73.02912	2.6
79.05504	31.6
81.03416	5.7
81.07061	98.9
83.04994	6.3
83.06577	2.7
83.08625	18.3
85.02904	7.9
85.06541	4.4
91.05477	26.6
93.07050	35.0
95.05027	5.5
95.08614	83.5
97.02895	4.8
97.06536	9.0
97.10165	14.1
98.20778	2.9
103.05492	2.8
105.07038	16.0
107.08597	22.7
109.06524	4.4
109.10167	43.1
111.04493	3.3
111.08067	3.4
111.11729	4.6
113.00017	6.3
113.09633	2.7
117.07021	7.5
119.08575	17.6
121.10149	21.6
123.08066	3.9
123.11716	19.1
127.03864	2.8
129.05464	3.0
131.08559	10.1
133.10136	23.9
135.11714	14.2
135.12605	2.5
137.13260	9.8
139.11275	3.2
141.12761	3.3
145.10123	4.0
147.11681	12.0
149.13268	10.2
151.14857	9.1
155.14325	3.4
157.10170	4.1
159.11649	5.5
161.13278	9.8
163.14777	7.7
165.12718	2.8
165.16399	6.0
171.11732	3.3
173.13116	3.6
175.14861	10.9
179.17934	7.5
189.16446	4.8
245.22656	39.8
263.23718	45.0
299.83304	2.6
337.27396	40.6
370.05444	2.6
371.25897	2.7
404.87061	2.7
405.30069	5.5
499.33453	5.2
517.34698	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	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.13602	1.0
53.03943	1.9
55.01865	1.2
55.05270	1.1
55.05516	11.9
57.03435	4.8
57.07062	3.4
57.08377	0.9
65.03947	2.5
67.05505	32.8
69.07072	14.6
69.92282	3.1
69.92687	2.0
71.05000	1.7
73.86810	1.0
79.05500	25.0
79.05956	1.3
81.07066	38.2
83.04981	1.7
83.08624	8.5
85.06549	1.9
91.05479	21.6
93.07047	26.3
95.04950	2.7
95.08610	29.2
97.06522	3.4
97.10188	4.4
98.20861	2.2
105.07032	25.9
105.07680	1.9
107.08591	22.5
109.06552	2.0
109.10152	11.8
111.08076	1.6
117.07011	8.6
119.08585	24.0
121.10139	16.5
123.08086	2.1
123.11729	4.4
129.07007	4.7
131.08572	16.7
133.10138	17.0
135.08098	1.3
135.11691	10.3
137.13393	1.0
138.03503	1.0
143.08582	2.7
145.10124	14.7
147.11685	12.8
149.09660	1.7
149.13283	5.7
153.12732	1.6
155.08681	1.9
157.10139	8.0
159.11708	11.7
161.13257	6.3
163.11232	1.4
163.14873	3.4
169.10194	2.7
171.11716	6.9
173.13254	9.9
175.14859	5.2
179.14238	1.0
181.09995	1.3
183.11716	2.2
185.13304	5.2
187.14856	4.4
189.16417	2.7
191.10591	1.0
195.11667	1.1
197.13295	2.0
199.14844	4.0
201.16423	2.8
202.94069	1.4
213.16411	2.5
219.17603	1.4
225.16570	1.2
227.18207	1.1
241.17842	2.9
245.19078	1.5
259.20596	2.6
271.20648	1.6
273.18863	1.1
273.21875	2.1
274.64441	1.0
275.26755	1.0
287.23474	1.4
299.23721	2.1
301.25323	1.5
313.25229	2.5
314.25153	1.0
315.23343	1.4
317.25067	1.5
327.26898	1.5
331.26538	1.2
333.24527	1.2
335.26181	1.3
356.39301	1.2
401.94226	1.0
405.30246	2.9
407.28180	1.3
407.32922	5.1
425.34158	14.7
433.29681	1.3
443.35379	7.3
499.37830	21.2
517.38959	100.0
518.39233	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	517.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
54.21835	4.4
55.01869	5.4
55.05521	31.0
57.03437	9.1
57.07070	11.8
61.02925	5.8
65.03967	4.2
67.05174	6.2
67.05509	93.9
69.03438	7.0
69.07078	33.7
69.37309	33.0
71.05022	4.4
71.08632	9.0
79.05499	34.5
81.03403	9.3
81.07060	100.0
83.04969	6.4
83.08625	24.3
83.09040	3.7
85.02908	5.3
85.06540	5.4
86.73018	3.6
91.03944	4.9
91.05480	32.1
93.07052	45.0
95.04962	9.1
95.08047	6.4
95.08619	84.0
95.09233	4.8
97.02876	6.5
97.06528	11.1
97.10181	14.6
98.20750	6.7
99.08067	7.5
99.49301	3.5
105.07054	29.9
107.08602	29.5
109.06513	17.0
109.10174	37.4
111.08089	5.4
113.00025	93.1
117.07043	8.0
119.08584	29.4
121.10136	24.6
123.08071	32.2
123.11693	13.8
129.07004	6.4
131.08572	14.2
133.10155	24.4
135.08073	14.5
135.11679	12.2
137.09596	5.3
137.13292	6.5
145.10156	7.0
147.04416	6.2
147.11708	14.3
149.09586	7.4
149.13298	10.7
155.08568	6.5
159.11714	10.9
161.13269	12.1
163.14769	6.8
165.16489	4.7
167.14453	4.0
175.14789	18.4
177.12714	6.8
179.14313	42.6
185.13329	5.3
187.03719	16.2
189.16388	5.1
197.13261	3.5
201.16382	4.2
205.15854	9.7
223.40181	3.4
245.22682	27.2
263.23737	41.6
275.20157	5.4
289.21652	11.9
303.26993	3.3
331.26294	52.7
333.60602	3.7
337.27402	32.2
387.28922	7.2
405.30063	76.8
407.28137	4.9
499.32498	5.4
517.40637	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01876	1.3
55.05515	7.9
57.03439	2.2
61.02929	17.9
65.03934	0.9
67.05500	4.5
68.05032	1.6
69.03433	8.8
69.07059	3.7
70.06603	7.7
70.45530	3.2
71.01363	1.2
71.04987	1.4
72.08160	100.0
73.02934	5.8
75.10762	0.9
79.05491	4.7
80.05018	31.3
81.03422	3.9
81.07071	8.0
82.85952	0.9
83.04976	2.0
83.08651	1.4
84.08155	4.1
85.02910	21.3
85.06538	1.4
87.04491	1.0
89.05312	0.8
91.03957	8.6
91.05504	4.4
93.07041	4.9
94.06563	5.8
94.29391	0.8
94.72256	0.8
95.04974	2.7
95.08615	6.9
96.04440	1.0
97.02895	13.2
97.06533	2.2
97.10168	8.3
99.04475	2.3
105.07039	4.5
106.06575	1.4
107.04951	1.8
107.08584	5.8
108.08090	1.4
109.02898	3.0
109.06496	1.8
109.10162	3.5
111.04430	1.5
111.08118	1.1
112.51035	1.0
114.09206	1.5
117.07043	1.5
119.04936	1.2
119.08602	3.7
120.08111	4.0
121.10171	3.3
122.06021	2.5
122.09682	16.7
123.08070	3.1
123.11684	1.7
125.09644	2.5
127.03938	6.4
128.06163	1.0
128.10699	1.0
131.08597	2.2
132.08109	2.3
133.10127	4.0
134.09656	31.3
134.10669	1.7
135.08092	2.1
135.10518	1.0
135.11739	1.9
136.11247	2.9
137.02391	1.8
137.05992	3.2
143.10699	3.8
145.04976	1.9
145.10120	2.0
146.09624	2.2
147.04425	2.6
147.11734	3.1
148.11188	5.6
149.13292	1.5
151.07584	1.2
151.11180	3.0
153.05486	1.2
153.12741	2.0
157.10075	1.0
159.11726	3.2
160.11237	1.3
165.12817	1.0
171.11641	1.2
173.13239	1.7
174.12816	3.9
175.11188	1.7
175.14967	1.0
177.05525	1.7
187.14822	1.0
192.13840	22.1
194.15462	1.4
201.05501	1.7
206.15474	1.1
210.14963	2.9
246.18568	31.0
251.97917	1.2
253.11041	1.3
262.18085	1.1
263.21207	11.9
264.19571	17.8
266.17798	1.4
274.18060	1.0
276.19669	2.1
281.22299	1.5
284.18570	6.6
288.19492	1.7
301.21640	2.2
319.22708	5.8
336.21646	2.3
337.24588	10.2
338.23273	21.6
350.23187	2.2
355.25925	96.9
356.26395	2.0
367.26059	1.6
372.22018	1.9
380.24203	1.5
397.27042	10.7
421.27158	1.1
423.29730	1.1
445.27084	3.6
463.28180	9.5
464.26508	3.3
481.29150	11.7
482.27466	1.2
499.30142	8.3
500.28360	4.0
517.31232	89.6
518.31427	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	517.293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.6
55.05516	9.5
57.03423	4.5
57.07073	3.1
65.25939	1.3
67.05509	18.9
69.03419	1.5
69.07077	9.4
70.06580	1.4
70.25484	1.4
71.04999	2.4
71.08633	6.0
71.55809	1.3
72.28541	1.7
74.22980	1.6
79.05502	10.2
81.07061	20.5
83.04987	3.0
83.08608	5.6
88.91532	1.3
91.05486	9.5
93.07042	12.4
95.08624	16.2
97.06539	3.7
97.10150	2.4
98.98546	1.6
99.08081	2.6
105.07038	12.4
107.08611	10.7
109.06545	11.8
109.10139	7.9
111.08057	2.5
113.00024	100.0
117.07020	2.9
119.08586	15.0
121.06503	1.6
121.10178	7.8
123.05566	3.9
123.08079	26.1
123.11700	2.3
125.09594	2.6
131.08559	3.1
133.10173	11.0
135.08047	12.8
135.11662	3.8
145.10117	3.3
147.04422	1.5
147.08102	1.8
147.11685	7.0
149.09624	4.0
149.13252	3.1
149.25435	1.4
157.10123	2.9
159.11684	5.1
161.13347	2.5
167.14276	1.5
169.02618	2.3
175.14828	7.9
177.12753	4.8
177.16397	2.2
179.14319	34.2
185.13199	1.5
187.03694	15.5
187.14725	1.5
191.14384	2.1
193.15848	2.2
205.15891	5.0
212.98016	1.4
247.20695	1.5
263.20065	1.9
275.20087	2.2
289.21741	8.6
293.21112	3.0
303.26941	3.6
331.26334	49.0
347.25864	2.2
349.27640	6.6
361.27261	1.8
363.80249	1.4
369.27863	1.9
375.28922	3.3
387.28918	7.4
405.30011	73.2
517.29590	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	517.1343
Annotation	Formononetin 7-O-beta-D-glucoside-6''-O-malonate
Peak:m/z	Relative Intensity
55.01858	0.1
61.61919	0.1
67.05495	0.1
68.99771	0.1
69.03420	0.2
69.07067	0.1
70.06590	0.1
79.05473	0.2
81.03400	0.2
81.07040	0.2
85.02916	0.1
91.05499	0.2
93.07035	0.1
95.05043	0.1
95.08601	0.1
96.52638	0.1
97.02892	0.2
97.06541	0.1
103.05490	0.1
105.07043	0.2
107.04961	1.7
107.08572	0.1
108.02107	0.1
109.02888	0.1
109.10140	0.1
118.04160	2.8
121.10088	0.1
123.04445	0.2
123.11710	0.1
127.03915	0.1
129.07021	0.1
133.02837	0.2
133.06494	0.5
133.10110	0.1
135.04427	0.1
136.01596	0.3
137.02336	1.1
137.05997	0.1
142.07663	0.1
143.08490	0.1
145.06471	0.1
145.10153	0.1
147.04393	0.4
152.06203	0.1
153.05467	0.3
153.06918	0.1
154.02621	1.2
155.08623	0.1
156.05730	0.3
156.19119	0.1
157.06468	0.1
158.07266	0.1
159.11688	0.1
163.03908	0.4
165.07030	0.1
169.06523	0.1
170.07254	0.3
171.08032	0.1
175.07434	0.1
180.05611	0.1
181.06494	0.7
182.07262	0.4
183.08127	0.1
184.05139	0.2
185.09708	0.1
189.09109	0.2
195.08072	0.2
197.05981	1.5
198.06760	0.9
199.07440	0.1
200.04643	0.1
209.05923	0.1
210.06834	0.1
213.09117	5.6
214.09550	0.1
225.05458	0.6
226.06244	3.3
227.06721	0.1
237.05464	5.1
238.05914	0.2
239.07083	0.1
241.08528	0.3
253.04971	4.1
254.05750	5.8
255.06230	0.1
269.08081	100.0
270.08447	1.7
355.15393	0.3
517.13330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01866	2.0
55.05513	1.4
57.03428	2.3
59.04992	0.6
61.02913	2.6
65.03934	2.8
67.05489	2.3
68.99781	1.5
69.03429	9.3
69.07051	1.7
70.06589	2.5
71.04995	1.3
71.35387	0.7
71.35742	1.1
72.08149	1.2
73.02917	1.7
78.09876	0.5
79.05493	4.6
81.03417	5.3
81.07065	5.0
83.04979	1.1
85.02433	0.9
85.02911	14.1
86.09706	1.5
87.04455	1.7
91.03934	0.9
91.05482	12.3
93.03391	1.5
93.07043	4.5
94.04195	0.7
95.04973	3.1
95.08607	2.6
97.02889	8.1
97.06527	1.9
99.04444	1.8
100.59928	0.6
103.05444	1.6
105.07033	6.2
107.04932	3.0
107.08621	3.2
109.02877	2.9
109.06501	1.6
109.10215	1.7
110.03651	1.2
111.04427	3.0
111.08028	1.1
115.05429	0.7
117.07010	2.0
119.04942	14.3
119.08569	3.9
121.06512	2.0
121.10144	5.0
122.03656	1.2
123.04434	1.4
123.08061	0.9
123.11755	1.1
125.06002	4.1
125.09705	0.7
127.03935	4.0
128.06223	2.4
129.06989	1.5
131.04884	1.8
131.08588	1.8
133.02856	1.0
133.06496	4.8
133.10127	3.4
135.04408	1.9
135.08034	0.9
135.11652	1.4
137.05983	51.9
138.03133	6.7
143.08559	5.4
145.04988	1.5
145.06465	3.3
145.10132	1.7
146.07236	1.5
147.04420	38.0
147.08046	2.6
147.11693	1.6
148.05222	0.8
149.02335	2.8
149.05948	1.5
151.03941	2.1
151.07597	1.4
153.05472	100.0
154.05771	1.3
157.10143	0.8
159.11729	1.1
160.05148	1.2
161.05975	4.8
161.09630	6.2
163.03943	1.3
165.05505	0.7
167.03416	3.6
167.07080	1.1
171.08069	8.1
173.05968	2.1
173.09775	0.6
174.06769	7.9
175.03920	2.6
175.07555	2.6
175.11217	0.9
177.05524	2.1
179.07060	11.6
183.08144	1.1
185.09525	0.8
187.07539	2.7
187.11264	1.2
188.08305	1.2
189.09116	61.4
190.09520	0.8
197.09596	0.8
201.09111	1.2
203.10667	9.4
205.08673	0.9
211.07497	0.6
213.09084	0.8
215.10710	4.2
226.06158	0.9
231.10173	2.4
237.05438	0.8
243.09991	0.7
252.16975	0.9
263.14038	1.0
269.08026	7.3
271.09631	1.7
295.09503	0.6
299.09103	9.6
301.10562	1.3
341.13901	2.1
355.11920	2.6
355.15405	72.1
356.15762	1.4
367.15909	0.9
473.32269	1.3
517.20422	7.2
517.28040	1.4
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
53.03943	4.0
54.52160	1.7
55.01883	10.9
55.05514	64.2
57.03440	5.5
58.12671	1.6
58.15808	2.0
59.04992	7.3
65.03945	3.0
67.05506	100.0
69.03439	4.4
69.07067	11.6
69.85828	7.4
71.01363	2.0
71.04974	6.0
73.02914	8.1
74.81822	1.6
79.05499	27.0
81.03415	14.5
81.07057	37.0
83.01358	2.4
83.04979	13.7
83.08623	27.1
85.02911	19.4
85.06540	4.2
87.04494	11.3
91.05482	20.5
93.07047	23.4
95.04957	8.4
95.08596	13.1
97.02885	7.4
97.06527	7.3
97.10171	48.1
103.03969	2.1
104.10740	1.9
105.07072	9.8
107.04957	7.1
107.08591	20.0
109.06519	4.4
109.10160	78.7
111.04478	3.7
111.08076	3.0
117.07014	6.3
119.08606	12.7
119.09340	2.3
121.06528	2.3
121.10142	7.1
123.08054	7.5
125.09637	50.0
125.10553	2.5
129.06976	2.8
131.08548	5.9
133.10135	4.2
135.08070	3.0
135.11693	10.6
137.09607	7.0
143.10657	6.3
145.10115	14.4
147.08037	2.8
147.11655	1.8
149.81502	1.8
153.12727	6.1
155.08571	2.7
155.10652	14.4
157.12263	4.6
163.11200	29.9
173.09691	10.1
173.11743	61.5
181.12251	7.7
187.13301	2.7
191.10696	13.9
199.13275	3.7
205.12373	2.1
209.11768	25.3
223.13176	2.6
227.12762	11.9
235.17387	1.9
331.21262	2.2
361.81073	2.1
516.38281	2.5
517.40228	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
54.18452	2.2
55.01875	4.1
55.05513	36.0
56.22004	2.3
57.03434	9.7
59.05010	13.6
61.02921	6.1
61.84427	2.3
67.05508	75.2
69.03426	9.1
69.07060	8.6
70.06597	22.7
71.01337	2.9
71.04980	3.7
71.55727	3.3
72.08159	10.4
73.02890	4.7
79.05499	14.2
81.03424	12.5
81.07056	17.6
82.06551	3.8
83.04991	4.3
83.08632	12.5
84.04504	3.6
84.08157	22.7
85.02908	21.2
85.06538	2.8
86.09698	12.4
87.04483	6.7
91.05482	12.8
93.07056	7.3
95.04965	5.1
95.08613	11.6
97.02893	16.4
97.06560	2.8
97.10162	22.9
100.07599	5.1
103.03951	4.5
104.10748	2.7
105.07047	5.6
107.04975	2.5
107.08639	11.2
109.02894	5.7
109.10161	67.2
111.08057	4.2
117.07011	3.3
117.09067	3.2
119.08571	6.8
121.10154	5.2
125.09628	25.9
127.03901	7.3
128.07056	7.4
133.10158	2.9
135.11710	3.6
137.09628	4.7
140.07043	3.2
143.10699	7.8
144.10175	3.3
145.10196	3.5
147.04436	4.1
155.10646	7.1
163.11215	6.5
164.10710	3.0
173.10442	4.3
173.11758	46.3
173.13187	4.0
201.05634	2.8
217.14413	3.6
220.23827	2.2
227.12875	4.3
229.14354	100.0
251.18541	9.0
268.68414	2.4
301.16406	5.3
319.17563	11.4
342.11716	2.6
463.21716	5.1
478.44281	3.0
484.20383	2.7
516.20471	6.6
516.29291	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
54.09983	1.9
55.05518	17.6
57.03431	10.7
57.07083	3.6
60.64637	2.2
61.02922	6.5
65.03930	2.5
67.05506	86.4
69.03436	6.4
69.07073	17.1
70.16439	5.9
70.16846	4.5
71.05000	3.9
74.88409	2.3
79.05065	4.0
79.05495	54.8
81.03424	4.7
81.07063	100.0
83.04988	6.2
83.08620	9.2
85.02904	8.1
85.06547	4.1
91.05476	34.1
93.07050	56.8
95.04951	6.3
95.08611	66.3
97.02882	5.7
97.06541	5.7
97.10138	4.3
98.20821	4.3
99.08060	3.9
105.07028	27.6
107.08605	37.8
109.06494	4.9
109.10155	36.2
113.09635	3.2
117.07045	14.3
118.66834	2.3
119.08576	21.5
121.10140	36.6
123.11719	19.0
127.03919	3.5
131.08556	25.1
133.06477	3.6
133.10106	15.2
135.11699	24.7
137.09589	4.1
137.13216	5.4
143.08583	3.4
145.10143	15.9
147.11682	14.2
149.13257	18.9
153.12775	3.1
155.08493	2.6
157.10229	2.7
159.11693	13.4
161.13287	10.0
163.11230	2.9
163.14877	11.2
167.14395	2.6
173.13284	14.2
175.14856	4.0
177.12868	3.1
177.16411	4.7
187.14828	7.1
189.16418	2.5
201.16502	3.5
243.21088	20.4
261.22147	57.5
279.23190	3.2
289.61026	3.0
301.21518	2.9
303.22980	4.3
317.24747	4.1
335.25769	21.8
345.24194	3.9
353.26834	17.6
369.24173	4.3
419.27777	3.8
497.31226	6.1
515.37665	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	516.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	3.0
70.84011	0.7
71.55014	1.0
81.03446	0.7
98.97595	8.3
101.00894	3.8
103.02461	1.0
110.97605	1.5
112.99167	3.3
113.00899	1.2
115.02435	6.8
116.98651	2.4
119.01925	4.8
120.32576	0.9
123.04425	0.8
128.98663	1.7
129.02296	3.2
131.00209	2.4
131.01924	5.8
133.01892	0.9
133.03474	16.9
133.04385	1.0
141.02292	1.2
141.04007	2.3
143.01886	5.0
145.03427	4.9
146.99695	1.1
147.03305	3.7
147.05110	1.8
149.01256	1.0
150.09164	1.5
151.04564	1.5
155.01889	7.1
155.02882	0.7
156.02713	1.3
157.03481	5.5
158.99744	2.3
159.03384	4.9
159.05022	7.8
161.02992	3.6
167.01981	1.3
169.03577	1.3
171.05023	4.1
173.01508	1.5
173.02960	6.3
175.04625	2.7
177.00891	1.2
177.04442	9.2
177.06175	2.9
179.02034	2.6
183.04977	4.5
185.03026	2.6
185.06693	1.7
185.63326	0.7
187.04703	1.0
189.06166	1.0
193.03639	0.8
195.05450	3.9
195.07288	2.1
196.09787	2.0
197.03009	4.3
197.06700	1.2
201.04465	1.5
201.06244	0.9
203.03944	3.7
211.04666	2.6
213.06178	1.3
219.01845	5.1
219.05379	1.3
219.07191	16.9
219.09161	1.3
221.05112	10.2
225.06268	1.0
231.07184	21.0
231.09482	1.3
233.08754	3.6
237.02893	5.3
245.05090	20.7
255.07205	9.2
259.06601	4.2
261.06192	1.2
261.08398	2.4
263.06262	1.4
265.90631	0.9
273.08200	5.6
303.09506	1.4
312.22754	0.7
321.10464	100.0
322.10544	4.1
339.10123	11.7
340.11688	0.9
354.14215	2.1
464.76871	1.0
516.18433	19.7
517.18909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.1
55.01870	4.1
55.05511	29.7
55.73997	3.8
57.03421	13.8
57.07057	3.7
57.75449	3.3
60.85180	3.3
61.02923	5.5
62.81757	3.4
67.05171	6.4
67.05505	87.4
69.03430	25.5
69.07069	22.2
71.04990	5.1
71.55884	4.5
79.05492	60.8
80.05016	5.4
81.03392	15.0
81.07055	100.0
83.04966	6.2
83.08607	15.8
85.02900	13.0
85.06542	5.5
87.14543	3.4
91.03947	4.5
91.05475	57.1
93.06489	4.6
93.07047	78.9
95.04953	8.4
95.08607	75.1
97.02879	12.2
97.06517	7.4
97.10144	7.6
99.08075	4.7
99.15884	3.5
103.03958	4.1
105.07027	37.7
107.04943	5.9
107.08579	51.0
109.06501	8.7
109.10150	34.6
111.08076	6.1
117.07026	16.8
119.08586	36.2
121.06494	5.6
121.10159	37.8
123.05553	86.8
123.08032	4.0
123.11683	12.6
125.09627	5.7
127.03849	5.3
129.06984	12.9
131.08560	40.6
133.06462	4.6
133.10132	29.6
135.08058	7.8
135.11688	29.0
137.13214	7.1
139.11107	3.8
143.08484	6.3
145.06480	5.3
145.10109	27.8
147.11649	18.1
149.13252	24.3
157.10103	10.7
159.08035	4.5
159.11682	27.0
161.13240	12.8
163.11156	5.5
163.14803	15.5
171.11694	9.0
173.13237	20.5
175.11148	6.0
175.14824	4.5
177.12759	9.0
179.14276	4.3
183.11577	4.9
185.13289	7.1
187.14789	11.9
197.13150	3.9
199.14894	5.4
215.14386	4.2
243.21117	22.0
261.22107	64.4
280.45306	3.7
303.23148	6.6
335.25558	7.6
345.24106	15.1
353.26892	17.7
369.24094	11.3
375.25345	3.7
382.61786	3.6
387.25229	6.8
405.26324	4.5
419.27640	6.2
443.27930	4.8
461.28601	5.3
479.30304	5.1
497.31067	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.1
55.05526	21.3
55.20352	2.8
57.03442	11.5
57.07074	5.0
65.03955	4.3
67.05511	93.1
69.03429	11.4
69.07078	21.9
69.12280	3.1
70.40619	13.9
71.05003	6.9
79.05503	61.7
79.39430	3.4
81.03414	11.7
81.06588	5.1
81.07065	100.0
83.04996	5.5
83.08613	9.1
85.02914	8.0
85.06530	4.0
91.05479	38.8
93.07056	77.0
95.04978	12.1
95.08617	82.5
97.02941	3.7
97.06504	8.1
97.10167	4.6
98.21483	4.2
105.04562	3.8
105.07040	40.7
107.08594	42.9
109.02983	5.5
109.06550	8.1
109.10171	37.5
112.94382	2.9
117.07030	15.3
118.35745	3.8
119.08595	27.9
121.06540	4.7
121.10162	38.1
123.11683	17.3
125.40134	3.0
126.90987	3.2
127.03889	3.8
129.07007	5.0
131.08603	30.8
133.06587	3.2
133.10147	22.7
135.11719	27.5
137.09618	5.4
137.13258	8.0
143.08575	6.9
145.10109	24.8
147.11714	13.4
149.13232	18.9
157.10121	6.4
159.11757	19.4
161.13242	15.5
163.14864	11.1
167.30214	3.2
171.11755	7.4
173.13249	17.6
177.16397	5.4
181.10217	4.4
183.08058	3.8
187.14825	7.5
199.14958	3.5
201.16397	4.7
213.12775	3.4
216.08530	3.1
243.21080	21.0
250.82417	3.2
259.20575	3.8
260.14337	3.2
261.22159	64.6
277.21765	3.4
279.23163	4.5
303.23376	3.6
335.25876	8.9
345.24207	4.2
351.91849	4.7
353.27072	15.5
369.24393	9.2
387.25577	5.2
395.27875	3.5
405.26389	5.6
423.27109	3.8
435.74359	4.1
515.38440	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01861	0.6
57.03430	1.1
61.02910	1.2
63.48467	0.4
65.03948	0.5
67.05499	0.8
68.99799	1.1
69.03436	7.4
69.07061	0.6
69.88783	1.4
69.89164	0.9
71.04987	0.5
73.02917	0.8
79.05491	1.8
81.03382	2.2
81.07046	0.9
85.02904	6.6
87.04463	0.8
91.05480	4.6
93.07044	0.7
93.91009	0.5
95.04938	0.8
95.08594	1.1
96.97750	0.5
97.02895	3.6
97.06494	0.7
99.04433	1.1
104.45385	0.4
104.77749	0.5
105.07012	1.1
107.04945	0.9
107.08578	0.5
109.02893	0.7
109.10229	0.5
110.03675	0.9
110.37212	0.5
115.05442	1.4
116.06217	0.9
117.07011	2.1
119.04957	1.4
119.08549	1.2
125.05997	0.7
127.03921	1.5
129.07036	2.7
131.04962	1.1
131.08569	1.3
133.02856	1.1
137.06010	0.6
138.03123	6.0
141.06967	1.3
142.07764	1.4
143.08533	0.6
144.05690	1.5
145.06505	2.0
145.10149	1.2
147.04433	3.5
153.05472	69.8
155.08560	0.6
157.06500	1.1
157.10150	1.6
158.07277	0.8
159.04440	2.4
159.08055	4.5
160.05115	0.5
161.05971	0.9
161.09641	0.8
164.39583	0.4
165.05486	0.7
167.08604	0.6
170.07233	1.6
171.04375	0.8
171.08041	1.1
172.05301	0.7
173.05983	8.0
175.07495	0.4
177.05469	0.8
179.07048	1.7
183.11862	0.5
184.13217	0.5
185.05998	1.9
185.09607	4.6
186.06819	2.8
187.07553	58.0
188.08315	14.1
189.09117	2.7
197.06094	0.8
198.06746	3.7
199.07567	5.5
201.09111	66.6
212.08464	0.5
213.09119	18.3
320.10394	0.8
321.11240	1.3
323.09198	0.9
335.12878	1.2
337.10583	0.8
338.11710	0.5
353.13843	100.0
354.14203	0.9
408.01956	0.5
431.89078	0.4
479.16296	0.6
484.31766	0.6
515.19153	68.6
516.19312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.0
55.05508	27.5
57.03427	11.4
57.07068	5.9
61.02931	5.7
65.03928	4.4
67.05178	5.6
67.05508	84.6
69.03416	12.0
69.07075	20.3
70.13567	17.1
70.13944	5.8
71.05003	6.2
73.02905	5.5
79.05495	57.8
81.03419	13.2
81.07059	100.0
83.04990	6.2
83.08615	13.6
85.02882	12.4
85.06529	5.4
91.03896	3.6
91.05482	35.2
92.07147	5.0
93.07044	66.4
95.04971	14.6
95.08613	74.1
95.43178	4.6
96.27853	3.6
97.02896	14.3
97.06519	4.9
97.10169	6.1
98.20755	5.8
105.07030	26.1
107.08599	37.9
109.06516	15.7
109.10168	37.5
111.08063	5.8
117.07041	20.4
119.08604	28.1
121.06503	4.8
121.10169	27.6
123.08074	6.7
123.11703	17.8
129.07022	7.6
131.08586	32.7
133.06451	4.8
133.10120	26.6
135.11673	28.3
137.13258	9.8
143.08588	5.9
145.06384	5.0
145.10126	17.4
147.07999	5.1
147.11687	19.0
149.13245	18.4
151.07608	6.0
157.10184	6.6
159.11670	17.8
161.13245	15.6
163.11191	4.8
163.14865	12.2
169.10214	5.2
171.11751	9.4
173.13258	17.0
185.13298	5.6
187.14827	4.5
197.13269	5.6
199.14886	5.8
217.15846	4.6
243.21037	13.2
261.22092	52.6
279.23178	5.1
285.22256	7.3
301.21533	6.8
303.23114	10.8
327.23151	4.9
335.25894	22.4
345.24219	11.8
353.26981	22.0
369.24228	16.5
377.26773	5.5
387.25436	8.2
405.25974	5.8
419.28079	8.3
453.60721	4.1
461.29141	6.1
497.30844	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	515.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
55.26428	1.5
56.18974	1.3
56.81740	1.6
57.03436	5.9
61.02922	5.9
69.03424	8.4
69.94171	4.7
70.06600	2.6
71.01327	1.7
71.85041	1.3
72.08157	4.1
73.02926	38.1
81.03420	3.9
84.04523	1.7
85.02917	18.6
94.06589	1.8
97.02896	6.4
103.03939	3.6
108.14980	1.3
109.02905	2.1
115.03930	3.8
118.06557	5.5
127.03916	4.0
130.06532	44.6
131.94768	1.6
132.04463	11.4
132.08073	3.0
133.05009	1.6
134.05989	1.5
134.09645	1.6
134.89810	1.4
142.06511	1.7
144.06964	2.9
144.08078	24.2
145.06526	2.7
145.07610	25.7
146.06007	9.2
148.07584	3.4
154.06497	3.8
156.08069	4.1
157.07626	52.0
158.06029	33.5
158.08345	2.0
159.09166	4.0
160.07578	2.7
169.07613	4.0
171.09167	6.7
172.07564	9.5
174.05492	7.7
175.08673	33.4
181.07593	3.2
182.08408	2.0
183.09154	10.5
184.07570	2.1
185.07091	6.5
186.05476	3.9
186.07916	2.8
190.08707	2.1
199.08615	9.1
200.07098	17.7
202.07066	1.6
203.08165	100.0
204.06563	3.4
209.07184	9.9
216.08984	2.9
217.09738	26.6
221.09244	24.5
227.08139	10.2
228.06523	2.9
231.07591	2.9
232.04153	1.4
232.68329	1.4
235.08734	1.6
245.06842	2.8
245.09178	23.6
245.11461	2.0
257.09390	2.8
263.10303	46.3
269.09372	2.8
288.02029	1.7
299.10242	3.0
311.10373	2.2
329.11349	4.4
335.12338	1.8
347.12335	14.4
348.10818	4.0
365.13458	44.9
383.14520	21.6
479.16525	5.8
480.15353	2.1
497.17679	53.4
513.06696	1.7
515.18903	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	514.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42618	0.3
52.05274	0.3
52.16919	0.3
53.03937	0.3
55.05513	1.2
55.96154	0.3
57.07082	0.7
67.05518	1.8
69.03432	1.2
69.07062	0.7
70.06599	3.5
71.20567	0.7
79.05500	1.7
81.07066	4.0
82.06580	2.9
83.04996	1.2
83.08639	1.2
84.08150	100.0
85.02918	0.7
85.06559	0.7
87.04456	0.9
91.05475	1.7
93.07061	1.9
95.04987	1.7
95.08611	1.4
97.02913	0.6
97.06546	0.7
97.49744	0.3
98.09743	0.4
105.07024	2.3
107.08604	5.0
109.06532	2.0
109.10162	3.9
111.08089	0.5
119.04971	0.3
119.08610	1.3
119.51549	0.3
121.10139	2.5
123.08092	1.1
123.11705	2.3
124.07605	0.6
124.71118	0.3
125.09657	1.0
127.03896	0.5
128.07085	1.7
131.08577	1.0
133.10143	4.3
135.08067	2.5
135.11690	0.7
143.08655	0.6
144.10211	6.2
145.10158	0.7
147.04384	1.5
147.11702	0.6
149.13286	1.4
151.11205	1.6
153.09140	0.9
158.10963	0.6
163.04019	0.4
165.12794	1.3
167.14371	1.1
173.13246	2.8
178.05031	1.1
191.12927	0.3
191.14307	2.0
206.04573	1.4
209.15427	2.7
270.13455	0.4
275.48047	0.3
288.14407	8.1
304.14194	0.4
306.15460	5.9
341.06894	0.3
391.90897	0.3
440.22906	1.3
470.23743	0.4
496.29172	2.2
514.30151	39.2
515.30524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01859	2.9
55.05510	9.4
57.03433	5.0
61.92403	2.7
67.05495	11.1
69.03436	8.4
69.07063	4.5
69.55667	17.5
70.06598	17.5
72.08162	6.7
79.05513	13.4
81.03419	100.0
81.07061	11.3
83.04984	8.4
83.08617	25.7
84.08152	10.2
85.02895	6.3
86.09721	6.2
91.05489	20.4
91.80055	2.4
93.07046	8.5
95.04980	30.6
95.08615	9.0
97.02909	10.6
97.06581	2.9
97.10178	3.7
98.09702	5.8
98.21478	4.9
101.25216	2.3
104.07086	2.9
105.07042	9.5
106.30198	2.7
107.04960	9.4
107.08602	7.1
109.02881	3.0
109.06569	4.8
110.07227	2.7
111.08090	11.0
119.04948	2.7
119.08562	13.5
120.04507	2.5
121.06519	4.7
121.10175	7.9
122.06055	2.5
124.07548	3.1
125.09647	3.9
127.03933	5.0
129.07025	9.1
131.08565	8.3
133.06485	3.3
133.10124	6.9
145.02895	3.0
145.10205	3.0
147.04434	6.0
147.11681	6.8
148.23935	2.5
149.09619	5.5
149.10730	6.7
157.10138	13.1
161.05977	2.6
163.03906	2.7
163.11169	3.2
164.10764	4.1
169.19260	3.1
175.11224	15.4
177.05530	3.1
192.10217	4.5
193.12251	70.0
211.13382	7.8
239.15956	3.6
267.15930	52.2
285.16974	83.6
309.16928	11.0
313.11792	3.4
323.12326	5.7
373.14117	3.2
429.21271	4.0
514.06750	3.5
514.21991	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	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
55.01875	4.9
55.05514	7.3
55.93732	1.8
57.03445	3.7
61.02921	3.6
67.05511	12.9
69.03429	5.6
69.07075	7.1
69.72419	11.7
70.06591	15.4
71.38020	1.7
72.08159	6.5
73.02881	2.1
73.06570	1.8
74.75835	1.8
79.05493	11.3
79.45361	2.0
81.03423	93.9
81.07068	11.4
83.04981	5.7
83.08632	22.2
84.04496	2.1
84.08138	8.4
85.02924	5.6
86.09715	7.1
91.03950	1.8
91.05486	14.8
93.07047	7.2
95.04983	35.2
95.08614	8.2
97.02903	10.9
97.06566	4.0
97.10163	3.2
98.06086	4.2
98.09733	2.8
105.07034	14.6
107.04967	7.3
107.08597	5.5
108.04516	2.8
109.02890	3.0
109.06527	4.0
109.10182	3.4
110.07121	2.7
110.09735	2.2
111.04440	3.6
111.08104	12.7
115.05419	2.6
119.04977	3.8
119.08579	10.7
120.08129	3.9
121.06490	2.2
121.10153	5.9
123.04452	3.8
124.03986	2.6
124.07672	2.5
127.03895	6.4
128.07074	2.8
129.07062	9.0
131.08566	9.4
133.06468	3.2
133.10123	6.9
135.11694	2.0
137.09651	3.2
140.07097	4.3
141.03282	2.0
145.02872	2.3
145.10097	2.3
147.04446	5.7
147.07996	2.4
147.11726	8.0
149.09633	5.0
152.14366	4.8
157.10155	12.9
158.05956	2.0
163.11232	2.9
164.10809	4.7
165.12738	2.8
171.99452	1.9
175.11174	14.6
176.07095	6.2
177.05501	4.4
192.10219	9.1
193.12260	77.5
198.56332	1.9
211.13336	4.9
235.13315	3.0
267.15918	43.4
285.16998	100.0
309.16913	9.2
313.11752	3.7
323.12421	4.5
373.14044	2.5
482.19012	7.7
514.21332	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94297	3.0
53.03956	7.9
55.01871	10.5
55.05521	22.4
57.03439	5.4
57.07074	10.7
65.03953	5.3
67.05509	97.3
67.05870	4.9
69.03433	25.9
69.07074	12.3
70.74402	3.4
71.01347	10.7
71.04990	6.2
71.08620	6.4
71.56031	6.1
73.02909	7.5
79.05503	70.0
81.03423	33.7
81.07064	100.0
83.04989	21.1
83.08623	8.8
84.08126	8.7
85.02915	29.5
89.06069	4.7
91.05492	39.7
93.07052	67.9
95.04976	23.6
95.08614	71.5
97.02898	55.2
97.06552	8.4
97.10175	3.7
99.04398	4.2
101.02380	3.7
103.03939	5.2
105.07046	27.1
107.04978	7.1
107.08598	50.7
109.02892	34.7
109.06506	4.5
109.10157	35.8
111.04471	37.4
111.08086	3.9
113.02337	5.2
115.03938	6.6
117.07027	13.3
119.08606	29.6
121.02964	3.8
121.10151	37.0
123.04443	11.5
123.08105	3.6
123.11718	20.0
125.02370	10.4
125.05965	3.9
127.03931	47.0
131.08572	28.0
133.10153	17.7
135.04388	8.4
135.11702	27.4
137.13266	6.4
139.03902	25.6
143.03394	3.8
145.10077	24.6
147.11702	18.7
149.13275	25.4
151.03885	9.7
153.05498	11.3
159.11746	20.2
161.13269	10.7
163.03954	4.1
163.14844	12.6
163.80539	3.9
169.10149	3.7
169.65480	3.7
171.11678	4.7
173.13269	16.2
175.14870	4.4
181.04953	8.6
187.14856	10.7
197.13364	4.5
199.06015	14.7
217.07053	6.6
243.21132	20.5
245.22729	4.6
259.20538	7.6
261.22159	89.1
263.23792	12.7
277.21664	4.1
279.23218	16.1
307.72589	4.0
315.23108	8.6
337.79346	4.2
441.26187	7.8
459.27472	13.8
477.28284	14.7
495.29645	33.2
513.36011	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	513.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90039	1.5
55.05511	4.8
57.03439	3.2
57.07081	100.0
58.04218	7.2
59.05011	19.2
67.05502	2.2
69.07069	4.3
70.74197	2.6
70.74542	2.8
71.08637	78.1
72.05775	6.7
73.02911	2.8
73.06562	6.4
81.07046	3.8
83.08629	4.2
85.10188	63.1
87.04478	8.7
88.05241	2.4
88.07632	3.6
89.06026	15.3
90.01920	33.4
94.98811	1.6
95.08604	3.9
97.10206	4.7
98.21178	1.5
99.11729	11.3
99.89980	1.5
101.06009	2.4
102.06820	2.0
102.09203	2.6
103.07574	9.7
113.13297	3.1
117.09149	5.8
133.08601	7.3
141.16319	2.4
147.10236	1.7
152.15591	2.1
155.18021	4.7
178.07152	3.5
179.12802	2.9
183.17476	4.7
208.15425	2.3
209.13925	2.3
212.21442	2.5
213.22095	7.8
215.20038	2.0
222.09726	6.8
226.16014	1.6
256.26343	4.8
257.26840	2.2
266.12338	2.8
283.26236	2.4
284.13370	5.3
284.26709	5.3
362.32608	3.6
513.37549	2.4
513.50775	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01865	3.0
55.05511	11.1
57.03437	6.5
57.07072	2.1
61.02934	15.9
62.43111	1.1
65.03924	1.3
67.05510	30.0
69.03450	5.7
69.07070	10.1
69.28548	1.1
71.04995	3.2
71.28979	2.8
73.02916	4.1
77.03941	1.2
79.05498	32.8
81.03415	4.5
81.07065	31.9
83.04977	2.8
83.08615	5.9
85.02913	14.0
85.06525	3.3
91.03954	5.8
91.05486	29.6
93.07048	48.0
93.07635	2.5
95.04999	5.8
95.08054	2.6
95.08617	26.5
97.02890	9.7
97.06546	2.9
97.10165	1.1
97.29465	1.3
99.04482	1.9
99.08095	2.9
101.02394	1.1
105.07035	32.7
107.08607	27.9
109.06539	3.4
109.10165	9.2
111.08087	2.3
116.81412	1.2
117.07024	8.2
119.07792	2.3
119.08595	29.7
121.06557	1.8
121.10157	24.5
123.08098	3.2
123.11710	3.8
125.09689	1.1
127.03916	2.9
128.06239	2.3
129.06999	7.4
131.04948	2.2
131.08580	18.9
133.06505	1.9
133.10144	25.2
133.69951	1.1
135.08087	2.0
135.11697	22.4
137.02390	1.1
137.09584	2.5
139.84354	1.1
141.07022	1.4
142.07809	1.8
143.08557	7.0
145.05096	1.4
145.06410	1.4
145.10144	17.5
147.08099	1.2
147.11702	27.1
149.09624	1.9
149.13263	14.4
151.11171	1.2
153.05486	2.4
155.08670	2.0
157.06512	1.2
157.10132	9.1
159.11720	13.8
161.09660	2.7
161.13269	21.0
163.11209	1.9
163.14812	4.9
167.08609	1.8
169.10176	3.4
171.11690	10.5
173.09538	1.3
173.13298	9.8
175.11227	2.6
175.14861	12.4
177.12764	3.5
181.12170	1.1
183.11745	2.8
185.13293	7.9
185.52701	1.2
187.14836	3.6
189.12807	2.8
189.16487	1.4
191.14354	1.2
195.11711	2.1
197.13266	1.9
199.14833	3.9
201.16344	1.3
203.14270	2.1
213.16382	2.0
217.15958	1.2
217.19571	2.6
231.21141	3.1
241.19545	20.1
259.20590	46.0
271.20587	1.8
275.20114	1.3
277.21710	8.0
301.21521	1.5
311.23291	1.6
333.24368	9.7
343.22577	2.2
349.23788	4.2
351.25308	100.0
352.25912	1.5
361.23837	1.5
363.25058	2.0
367.22595	2.4
375.25467	2.1
385.23685	2.2
405.26190	1.8
417.26254	2.9
441.26059	6.0
459.27292	4.9
477.28372	3.8
495.29514	6.0
513.29919	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03944	2.9
55.05507	7.5
57.03433	6.8
57.07077	2.4
61.02927	11.8
61.29833	1.7
67.05507	21.1
69.03426	4.0
69.07064	6.1
70.48306	1.5
70.95827	4.1
71.04983	2.1
73.02907	5.0
79.05499	31.2
81.03419	4.3
81.07062	33.4
81.90101	1.8
83.04981	2.9
83.08624	3.2
85.02907	11.8
91.03960	7.8
91.05481	27.5
93.07050	37.1
95.04988	3.4
95.08615	21.8
97.02898	5.8
105.07038	29.0
107.08598	24.3
109.06546	3.3
109.10153	8.5
117.07024	7.7
119.08584	27.5
121.06529	2.3
121.10150	21.2
123.11736	2.5
127.03907	2.8
129.07019	4.0
131.08588	15.9
133.06514	2.3
133.10141	22.7
135.08098	3.2
135.11696	23.3
135.35426	1.6
143.08557	6.4
145.10114	13.0
147.11691	22.7
149.13286	13.3
155.08557	2.1
157.10156	8.1
159.11711	14.1
161.09659	2.8
161.13268	20.7
163.11139	2.2
163.14812	6.7
171.11687	10.8
173.13246	9.9
175.14857	13.2
185.13281	7.1
187.14859	2.3
189.12807	2.1
199.14796	3.1
203.14349	2.0
213.16455	2.6
217.19510	1.8
231.21071	5.3
231.26260	1.7
241.19556	19.6
257.19003	3.4
259.20593	45.6
259.23364	2.2
277.21634	8.1
301.21912	3.2
333.24243	6.9
349.23843	3.7
351.25330	100.0
352.25949	2.2
363.25146	3.9
367.22702	3.1
375.25143	2.2
403.24838	2.5
441.26431	5.3
459.27457	3.8
477.28082	2.7
495.29758	8.2
499.63776	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01868	1.3
55.05500	4.3
57.03429	3.1
59.95298	0.9
61.02922	4.3
62.23436	0.9
65.03938	2.5
67.05513	11.8
69.03432	3.2
69.07066	3.3
70.52145	2.6
70.52492	1.2
71.04994	1.3
73.02907	1.8
79.05505	12.5
81.03410	4.5
81.07066	10.3
83.04963	1.1
83.08615	1.6
85.02922	6.8
91.03975	2.7
91.05482	15.3
93.07056	14.3
95.04964	2.8
95.08618	7.8
97.02882	4.6
99.04498	1.0
103.05510	1.9
105.03415	1.0
105.07040	15.6
107.04939	2.8
107.08595	7.5
107.52342	0.9
109.02859	1.8
109.10156	5.6
115.05454	3.6
117.07028	6.1
119.04891	1.1
119.08595	10.6
121.10160	5.2
123.04430	1.4
123.11744	1.2
125.05987	1.7
127.03853	1.3
128.06213	3.3
129.07011	4.9
131.04991	1.0
131.08583	8.6
133.02867	2.5
133.10136	9.4
135.08142	1.1
135.11688	6.1
138.03113	11.9
141.07016	3.0
142.07756	1.5
143.08543	3.9
145.06435	2.8
145.10135	6.4
147.04369	1.7
147.08063	1.4
147.11687	10.0
149.13269	5.8
151.03880	5.1
153.05476	100.0
154.05750	1.6
155.08577	1.6
157.10149	2.9
159.11711	6.7
161.05960	2.2
161.13277	7.4
162.03142	1.6
163.11134	1.3
163.14781	1.6
165.06970	1.7
165.12778	1.0
169.10132	1.2
171.08119	2.5
171.11728	3.8
173.06001	5.0
173.09578	1.4
173.13237	3.5
175.07549	4.5
175.11115	1.0
175.14868	4.8
177.05432	2.5
179.06963	1.1
183.11720	1.2
185.05968	1.5
185.09688	1.7
185.13284	3.8
187.07547	4.3
187.14864	1.2
189.05508	1.9
189.12709	1.2
191.06992	1.9
195.08011	1.1
197.05995	1.4
199.07535	4.5
199.14841	1.7
201.05502	2.9
201.09178	1.7
203.07069	1.7
211.07643	2.3
223.07422	2.0
227.06973	4.6
231.20973	1.1
241.08617	2.0
241.19560	7.4
243.06487	1.7
245.08095	2.7
249.08902	1.1
257.08115	6.2
259.20609	16.5
269.08157	3.1
270.08829	1.0
277.21533	1.7
301.21515	1.9
313.10782	1.7
349.23477	2.0
351.25314	33.0
353.13782	2.6
363.25406	1.5
367.11935	1.4
367.22552	2.0
381.13342	2.6
385.23660	1.6
391.07306	1.0
391.11728	5.0
409.12836	27.8
410.13486	1.2
417.26614	1.2
427.13922	2.8
441.26288	2.1
459.27011	2.1
477.28650	1.7
495.12732	1.4
495.29184	3.0
513.13727	6.8
513.30493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75213	3.2
53.03943	10.3
55.01875	7.5
55.05516	21.0
57.03445	19.2
57.07073	4.6
61.02925	28.4
63.47030	2.8
65.03926	4.1
66.98285	2.7
67.05506	47.7
69.03425	23.4
69.07058	19.7
69.28281	30.3
71.04978	7.4
71.08642	23.0
72.08146	4.7
73.02924	17.8
79.05495	48.3
79.65972	3.4
81.03425	22.9
81.07058	59.3
83.04964	8.1
83.08614	13.2
85.02904	32.6
90.65305	3.2
91.03956	9.6
91.05479	40.5
93.07053	61.0
95.04966	13.8
95.08599	39.9
97.02897	23.7
97.06525	10.4
97.10155	4.6
98.73318	3.2
99.04443	4.6
99.08094	20.8
101.02377	8.7
103.03962	3.4
105.07027	44.0
107.04967	9.8
107.08596	36.5
108.46302	3.1
109.02887	13.7
109.06533	6.3
109.10146	22.0
109.64752	3.1
111.08066	8.3
115.03937	4.9
117.07021	13.0
119.08578	31.1
121.10162	28.4
121.28414	3.1
123.08054	4.3
123.11707	6.7
127.03927	16.8
131.08585	14.9
133.10120	18.3
135.11684	29.5
143.08513	5.4
145.10130	10.4
147.11678	17.3
149.09579	3.8
149.13268	15.2
151.11176	12.8
153.01808	5.0
157.10176	7.6
159.11694	7.3
161.13255	18.3
163.11234	5.2
171.11737	8.3
173.11884	3.7
173.13206	7.4
175.11230	3.2
175.14790	3.6
177.12784	6.4
179.14316	100.0
181.12308	3.1
183.11681	3.3
185.13206	4.1
189.12749	5.2
229.14201	3.5
235.16957	5.2
241.19513	4.3
259.20532	16.1
277.21628	78.2
351.25311	45.3
379.24850	3.5
513.29474	5.2
513.36060	6.2
529.45380	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	513.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.3
53.04173	4.2
55.01872	9.4
55.05507	11.7
56.71819	4.0
57.03431	11.5
61.02920	13.7
67.05506	32.7
69.03427	9.9
69.07056	14.4
69.28622	20.5
69.29041	19.8
70.06581	4.7
71.04988	7.7
72.08154	7.2
73.02879	6.6
74.35953	3.7
79.05490	35.2
81.03388	8.5
81.07062	41.3
83.08611	6.3
85.02901	14.5
91.03972	5.7
91.05494	22.8
93.07059	44.6
95.04974	6.7
95.08616	27.5
97.02885	16.6
99.04481	6.1
105.07028	37.5
107.08614	27.3
109.10152	15.9
117.07014	11.1
119.08579	30.4
121.10152	30.1
125.09684	5.6
129.06976	6.2
131.08580	15.0
133.10117	24.0
135.11682	27.7
137.02333	4.7
143.08565	8.2
145.10112	19.0
147.04402	4.2
147.11716	27.2
147.19456	4.6
149.13239	16.4
153.01810	4.6
157.10143	10.5
159.11687	13.3
161.13303	21.4
163.11194	5.0
163.14835	5.3
171.11685	11.0
173.13335	5.6
175.14836	9.1
181.10062	4.6
185.13292	6.9
185.57971	3.8
198.83437	4.2
199.14728	4.6
231.21077	6.4
241.19566	15.6
259.20575	41.2
277.21609	8.0
333.24435	11.1
351.25302	100.0
367.22809	5.4
430.60077	4.3
431.80746	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	10.0
55.01867	10.3
55.05513	22.6
57.03421	13.6
57.07067	5.6
61.02915	15.6
61.06701	4.5
62.89454	4.3
67.05507	64.6
69.03414	15.6
69.07072	21.7
69.58453	30.3
71.01350	4.6
71.04984	7.8
73.02907	13.7
79.05495	80.4
81.03415	15.2
81.07060	76.2
83.05001	5.2
83.08609	14.0
85.02895	25.6
91.03938	5.2
91.05486	83.1
93.07048	100.0
95.04956	13.2
95.08602	52.6
97.02896	15.8
97.06586	5.6
98.21457	9.1
99.08134	5.7
101.06899	4.3
103.32110	4.2
105.07031	96.0
107.08595	51.5
109.06534	7.1
109.10167	24.9
110.14594	4.5
111.04475	4.8
117.07019	27.6
119.08588	89.7
121.10155	44.5
123.08064	5.0
127.03908	8.5
129.06987	14.9
131.08572	50.0
133.10153	71.7
135.11725	41.6
141.07011	6.1
143.08615	22.7
145.10133	70.3
147.08122	7.2
147.11707	55.0
149.13269	25.7
155.08511	8.2
157.10188	23.4
159.11681	47.4
161.09581	6.1
161.13235	37.1
163.14764	7.7
167.08522	6.7
169.10121	11.7
171.11696	27.7
173.13243	30.8
175.14822	17.2
177.12749	6.2
181.10078	6.4
183.11728	11.4
185.13231	22.1
187.14876	9.2
189.12746	4.9
195.11659	9.5
197.13174	6.8
199.14790	10.3
203.14424	6.4
213.16402	7.7
231.21104	8.8
239.17941	6.2
241.19504	36.3
257.19009	17.6
259.20575	99.8
271.20578	9.5
275.20074	11.3
277.21692	16.4
283.20297	6.1
289.21783	5.1
301.21530	16.0
313.21649	12.4
319.22504	6.1
339.23270	7.3
349.23743	8.2
351.25339	95.4
363.25284	8.4
367.22931	24.4
367.26764	5.1
385.23801	39.5
403.24881	45.4
421.25946	65.2
441.26160	7.0
477.28668	5.1
495.29037	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	513.306
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.11038	1.9
53.03941	6.3
55.01879	4.9
55.05511	11.1
57.03436	8.1
57.07079	2.2
61.02932	21.7
65.03944	2.0
67.05511	43.4
69.03441	10.8
69.07067	16.4
69.68745	1.8
69.86250	1.9
70.57542	3.7
70.57902	4.3
71.04996	3.8
71.08643	9.9
73.02919	11.7
74.24833	1.7
79.05495	44.1
81.03420	10.9
81.07059	43.6
83.05003	4.9
83.08617	7.7
84.13486	2.2
85.02915	23.1
85.06535	4.0
91.03964	10.2
91.04962	3.6
91.05482	38.6
93.06468	4.0
93.07049	59.5
95.04965	5.2
95.08618	29.5
97.02891	16.3
97.06540	4.9
99.08109	6.8
101.02371	2.9
105.07040	34.9
107.04996	3.1
107.08597	40.1
109.02876	2.5
109.10158	14.8
113.09634	3.3
115.05486	1.9
117.07021	10.1
119.08591	37.6
121.10157	33.8
123.11749	4.8
125.09659	2.3
127.03938	6.3
129.06990	7.1
131.08575	17.3
133.10133	32.4
135.11702	30.9
137.09573	2.1
137.13303	2.3
143.08577	6.3
145.05035	3.0
145.10138	13.9
147.11705	26.6
149.13278	17.3
151.11162	3.1
153.05478	3.6
157.10150	7.8
159.11687	14.8
161.09700	2.5
161.13263	20.2
163.11226	2.6
163.14847	6.1
171.11711	7.1
173.13254	9.6
175.14848	12.5
179.14316	33.2
185.13281	6.0
189.12891	2.3
197.13188	2.1
199.14886	2.9
203.14328	2.4
206.61957	2.0
206.74269	2.0
213.16422	5.0
217.15845	2.2
217.19444	2.4
221.15376	2.9
235.29578	2.3
241.19551	22.6
251.18019	2.3
259.20584	54.9
277.21664	28.3
301.21674	3.0
309.74811	2.2
333.24188	7.8
348.88315	2.4
351.25311	100.0
363.25418	3.3
367.22794	2.6
384.41855	2.1
403.24615	2.1
417.26151	2.4
441.26022	4.8
459.27533	4.0
477.28992	2.8
495.29547	5.9
513.30676	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	512.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.01857	1.4
55.05502	3.6
57.03418	1.9
60.08804	0.8
61.02930	1.3
65.03935	1.0
67.05505	7.6
69.03416	3.1
69.07056	3.0
70.06569	1.0
70.21876	1.3
70.22272	2.2
72.08136	1.0
79.05499	11.8
81.03408	3.6
81.07059	12.2
83.04993	1.2
83.08601	3.3
85.02911	8.2
91.05476	8.7
93.07043	18.8
95.04958	1.4
95.08608	18.7
97.02911	4.1
97.10200	1.3
99.04443	1.5
105.07030	16.5
107.04962	1.8
107.08597	24.8
109.02866	1.4
109.06505	2.1
109.10159	12.3
111.04413	3.2
117.06992	2.1
119.08582	15.3
120.08079	0.9
121.10155	22.1
123.11713	2.7
125.05969	2.8
127.03909	1.4
129.06998	1.8
131.08568	5.8
133.10135	9.5
135.11694	10.0
137.05916	1.1
143.08557	2.5
145.04933	1.2
145.10149	7.0
147.08044	1.4
147.11720	7.5
149.09558	0.9
149.13257	5.0
151.07527	1.5
153.09102	0.9
155.08549	3.5
157.10106	3.3
159.11687	3.9
161.09607	2.2
161.13254	3.4
161.92165	0.9
163.14825	1.0
165.09074	1.5
167.08539	1.3
167.10582	1.0
169.10109	1.4
171.11671	5.3
173.09633	2.5
173.13266	2.5
177.09142	0.9
179.10672	1.4
180.08694	2.1
181.10078	0.9
185.09616	2.0
185.13246	3.2
187.11172	2.8
187.14832	3.0
189.09143	1.0
189.12881	1.3
189.16356	4.7
191.10657	4.2
193.12320	1.4
199.11154	3.1
199.14870	1.7
201.12680	1.6
204.58150	0.9
205.12262	2.6
207.13780	1.8
213.12746	1.6
217.12286	3.4
219.13766	2.2
225.16446	4.9
227.14392	1.3
227.17931	3.8
231.13814	5.2
231.21080	1.5
241.19455	4.6
245.15298	1.7
251.17868	1.0
269.19006	6.8
287.20056	27.1
315.19543	25.2
324.62305	0.8
333.20609	100.0
334.20859	2.3
350.23682	1.4
426.94437	1.1
512.29144	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.3
54.95238	2.0
55.01883	14.2
55.05524	16.3
57.03445	14.0
61.02934	25.9
65.03938	3.8
67.05180	3.1
67.05511	38.2
69.03442	15.4
69.07072	33.2
70.06590	5.7
70.47514	6.7
71.01320	3.4
71.04984	7.5
72.08144	6.4
73.02921	13.2
77.03974	2.2
79.05504	33.2
81.03424	28.6
81.07064	56.6
83.04993	11.9
83.08611	8.7
85.02908	24.5
85.06525	5.4
91.03989	11.1
91.05489	52.5
93.07063	36.7
95.01331	8.6
95.04996	10.9
95.08618	33.1
97.02893	25.2
97.06536	26.7
97.10165	4.3
99.04430	4.7
101.02368	9.1
105.07043	67.0
107.04960	14.0
107.08606	20.5
109.02882	7.5
109.06525	5.7
109.10182	13.4
111.04428	4.8
111.08069	5.1
113.09634	2.3
115.05415	3.4
117.07034	13.3
119.08590	37.9
121.06483	5.4
121.10165	13.1
123.08112	4.9
123.11661	3.6
125.05992	2.3
125.09618	3.0
127.03925	14.7
129.06992	4.2
131.08569	24.3
133.06493	2.2
133.10141	44.5
133.23305	2.6
135.08023	4.0
135.11707	12.3
139.07547	3.5
141.06958	2.6
143.08556	5.6
145.04987	4.5
145.06427	3.6
145.10149	18.6
147.11717	21.1
149.09641	9.6
149.13281	5.1
151.11237	3.6
153.05469	3.8
153.12730	1.9
157.10103	4.5
159.08081	3.0
159.11674	14.3
161.09642	2.2
161.13264	5.3
163.11182	7.3
165.12799	6.1
171.11678	4.2
173.13248	3.3
177.12669	3.8
179.14343	16.7
180.94418	2.6
183.06560	4.0
183.11681	2.4
185.13193	2.4
191.10632	2.7
193.12213	3.3
195.13890	2.5
211.13303	2.3
213.99500	2.6
241.14389	2.3
247.20537	3.0
257.18945	7.7
275.20087	100.0
279.16193	2.7
293.20938	2.1
349.23746	40.9
391.24954	2.1
493.27985	3.4
511.28943	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.05518	13.9
57.03433	5.2
57.07082	100.0
59.05005	1.6
61.02919	2.5
67.05514	32.3
69.03432	17.0
69.07078	18.1
69.61874	9.8
71.04993	2.6
71.08640	72.0
81.03426	14.1
81.06584	2.3
81.07063	44.4
83.08628	29.4
85.02913	28.8
85.06533	2.1
85.10193	42.2
89.06090	1.8
95.08616	67.8
97.02898	24.2
97.10175	15.1
99.04442	6.4
99.11726	2.9
109.02879	10.2
109.10177	26.1
109.64968	1.9
111.11725	3.9
123.11728	11.9
125.13287	5.2
126.63657	1.7
127.03930	29.5
127.29554	1.8
137.13249	6.7
145.04970	16.8
151.14851	3.3
161.17134	1.8
221.22612	4.7
231.38042	1.7
239.23715	95.1
257.24789	5.3
313.27414	32.1
329.26889	3.8
331.28458	4.4
341.26828	3.6
347.13171	1.8
383.27954	56.0
384.28354	2.4
401.29010	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64923	1.5
55.05510	4.6
56.26681	1.6
57.03436	2.8
57.07080	100.0
57.10493	1.7
59.05007	45.5
69.07083	2.4
71.08637	84.8
71.39738	1.7
81.07047	3.2
83.08620	2.7
85.10186	67.0
86.18299	1.8
87.04467	2.6
87.31575	1.8
89.06050	13.2
95.08600	2.9
97.10189	3.7
99.11732	12.6
101.06021	1.8
101.09673	4.9
113.13300	5.4
117.09140	20.2
135.11758	1.9
147.10158	6.4
150.48105	1.7
155.17938	8.9
161.89925	1.9
170.29834	1.8
192.36993	1.8
205.14415	3.4
213.22166	17.6
214.29936	1.8
223.15443	2.3
271.26382	18.5
443.48242	1.6
510.42593	2.5
510.49133	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01852	1.8
55.05263	2.0
55.05513	15.3
57.07075	1.5
59.05001	1.5
67.05495	4.1
69.03419	7.3
69.07053	4.2
69.39051	11.6
70.06596	39.0
71.04974	2.3
71.06921	1.5
72.08141	6.5
73.02900	2.4
79.05486	4.2
81.03410	5.4
81.07067	8.0
82.06568	1.7
83.04991	9.5
83.08617	11.8
84.04509	2.2
84.08154	12.1
85.02920	10.1
85.06532	3.7
86.09704	3.2
87.00822	6.3
91.05466	5.6
93.07063	9.2
95.04981	13.1
95.08582	5.1
97.02878	4.3
97.06519	6.6
97.10162	1.5
98.20706	2.4
99.04453	4.3
100.20353	1.4
105.01852	6.4
105.07018	5.6
106.97227	1.4
107.04886	1.6
107.08609	12.3
109.02870	5.9
109.06515	8.0
109.10165	11.1
110.07166	2.1
111.08089	4.4
119.04900	2.8
119.08573	4.1
121.10162	17.4
123.08083	1.8
123.11730	3.8
124.07572	2.2
125.09634	5.4
127.03902	7.1
131.08575	4.5
133.10130	12.9
135.08052	3.5
135.11665	2.1
138.05521	3.7
139.11156	1.7
145.04979	3.4
145.10158	1.8
147.04425	4.7
147.11642	4.4
149.13228	3.3
151.03900	4.5
151.11172	16.6
153.09093	5.9
163.14806	4.6
164.07082	2.2
167.14331	16.9
173.13239	8.2
175.14835	1.8
191.14346	10.0
209.07974	1.9
209.15381	100.0
227.16397	12.1
231.05000	3.9
234.12132	1.6
249.06114	1.8
261.13068	2.1
439.14252	6.2
510.19449	5.7
510.26855	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	510.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.9
65.56541	1.9
67.05495	7.0
69.03419	7.3
69.07063	5.0
70.06591	13.5
71.04977	2.5
71.55129	2.8
72.08135	7.8
74.84789	2.0
79.05482	4.2
81.03397	6.1
81.07048	8.1
83.04964	6.0
83.08611	9.2
85.02917	11.1
85.06525	4.1
87.00810	6.9
89.10774	2.4
93.07026	8.5
95.04959	20.3
95.08630	4.0
97.02860	4.8
97.06517	5.8
97.10144	3.9
99.04453	6.5
105.01851	4.2
105.07033	4.1
107.08591	14.0
109.02882	5.3
109.06505	8.6
109.10148	10.7
110.92700	1.9
111.04385	2.2
111.08070	4.6
116.07078	2.5
119.08568	3.5
121.10152	20.1
123.11706	2.4
125.09623	5.2
127.03909	9.0
128.07031	4.5
131.08598	3.1
133.10161	10.9
135.04393	1.9
137.02368	10.2
145.04919	3.1
149.13301	2.4
151.11197	12.1
153.09105	8.1
163.14769	2.9
166.08609	6.4
167.14348	12.7
173.13281	9.8
175.14827	2.6
183.06863	2.6
191.14310	10.7
209.15384	100.0
212.09149	11.7
225.14758	2.1
227.16431	6.7
231.05067	2.6
262.10718	2.2
295.83707	1.9
352.63242	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	510.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01901	1.5
51.02378	1.5
52.63885	1.6
53.03938	2.0
55.01865	5.1
55.05501	1.6
59.53730	1.4
59.57664	1.3
65.03928	4.6
67.05488	2.0
69.03423	2.8
69.85332	3.8
69.85737	4.7
70.06597	18.8
71.05000	1.5
72.08147	3.1
75.04461	3.9
78.04719	1.9
79.05509	7.3
81.03403	2.8
81.07053	2.5
83.04962	3.1
83.08639	2.5
84.08128	4.3
85.02904	5.5
85.06551	1.8
86.09694	2.3
91.05488	44.3
93.03422	9.8
93.07075	7.4
95.04974	13.6
95.08602	2.1
97.02902	1.7
97.06525	2.8
98.20813	1.6
99.04483	2.0
103.05486	11.9
105.03401	8.9
105.04468	1.8
105.07041	7.5
105.71980	1.7
106.04190	20.4
107.04966	9.6
107.08607	2.6
109.02879	2.8
109.06512	7.3
111.04375	1.6
115.05479	2.1
118.04126	2.9
119.04112	2.4
119.04953	42.3
119.08471	1.7
121.06508	26.0
121.10123	2.7
123.04430	5.9
123.08057	5.0
124.03962	2.1
124.05212	2.5
125.05972	8.3
127.03925	2.0
129.07007	2.2
131.04945	13.3
132.05740	4.6
133.06468	5.6
133.10133	1.5
134.03627	4.1
135.08067	1.9
136.05232	1.7
137.05971	8.0
138.05473	2.0
139.07518	2.8
144.05696	1.6
147.04402	13.4
147.08006	4.1
148.05186	5.2
149.05994	39.4
151.06419	2.4
151.07550	23.8
151.11186	1.7
152.04529	1.7
153.05460	2.5
153.09087	13.4
159.08051	6.1
160.05217	3.2
161.05986	33.2
162.06784	6.8
163.03822	2.6
163.07547	6.1
165.05493	5.1
167.07059	48.6
167.14354	2.8
175.07561	12.7
177.05484	23.6
179.07034	17.3
180.07774	9.3
181.08600	21.6
182.09357	2.5
187.07529	15.0
190.06236	4.5
191.07040	21.1
191.14198	2.6
192.07822	9.2
193.08585	1.8
205.08624	49.0
209.08104	100.0
209.15364	17.3
210.08633	2.4
217.08591	2.5
223.04248	9.6
227.16460	3.1
235.09695	12.9
253.16544	1.4
278.09189	1.5
281.11859	1.5
294.89886	1.5
330.11420	3.1
335.18298	1.6
339.12207	4.2
341.13760	3.3
348.12866	7.2
359.14944	2.4
371.14810	4.7
403.49219	1.6
491.33588	1.5
492.17157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.9
55.01883	9.2
55.05516	30.7
57.03432	10.4
57.07053	8.5
65.03933	6.5
67.05510	51.6
69.03444	25.9
69.07068	48.3
69.73492	4.2
70.06584	11.6
71.04983	13.3
71.55491	3.8
72.08154	14.4
79.05494	35.0
80.05839	3.9
81.03427	26.4
81.07059	100.0
83.04981	24.0
83.08630	24.9
85.02909	27.6
85.06532	15.8
90.46437	4.3
91.05487	40.3
93.07050	61.2
95.04960	24.8
95.08605	85.4
97.02895	42.1
97.06532	19.6
97.10184	20.6
99.04428	11.6
104.16973	3.6
105.07031	49.5
107.04954	11.7
107.08604	51.1
109.02886	16.0
109.06542	18.9
109.10159	63.6
111.04429	13.5
111.08103	12.0
111.11726	13.5
117.07021	11.4
118.18909	4.1
119.04971	5.3
119.08591	33.3
121.06501	16.2
121.10159	38.2
123.04442	7.8
123.08090	10.8
123.11711	34.8
125.06005	8.4
125.09628	11.8
125.13248	5.6
127.03924	19.8
129.07021	5.6
131.08549	16.6
131.50586	4.3
133.06483	7.5
133.10158	19.4
135.04364	4.4
135.08035	11.3
135.11687	33.2
137.05972	16.4
137.09590	6.2
137.13255	8.4
139.03880	7.8
139.07515	6.1
139.11186	11.2
142.07790	4.7
143.08556	8.8
144.46353	4.3
145.04974	5.6
145.10130	29.5
145.26587	3.8
147.04404	4.5
147.07980	9.5
147.11725	20.1
149.06046	5.8
149.09630	7.3
149.13254	24.3
151.03931	3.6
151.07570	7.2
151.11198	5.0
151.14879	5.2
153.05475	18.4
155.08705	4.5
157.05008	5.7
157.10136	8.2
159.08051	5.5
159.11690	17.0
161.09666	9.0
161.13260	5.9
163.07477	5.2
163.11220	26.0
163.14806	6.6
167.07109	8.7
169.05116	5.1
171.08081	4.3
171.11620	4.8
173.09607	14.5
173.13248	8.0
175.11195	6.6
175.14766	5.6
177.09109	7.1
179.07037	5.1
179.10754	5.4
185.06145	5.1
187.11166	15.9
189.11218	5.5
189.12820	5.0
191.07188	6.9
191.10693	9.3
193.08614	5.1
193.12289	10.2
195.10069	4.4
195.11708	8.3
205.12286	4.9
209.11794	14.5
215.10512	5.1
222.64120	3.7
227.12788	10.9
233.11662	9.8
245.06189	4.2
256.93506	4.6
271.05942	5.4
275.27313	10.9
293.28500	25.0
299.09009	7.9
311.29236	4.4
426.97464	4.7
429.29840	6.7
447.30911	6.6
455.28232	5.1
465.24146	4.7
473.29248	9.2
491.29800	16.0
509.27271	15.1
529.54749	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	509.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.1
53.48628	4.6
55.01862	7.2
55.05513	38.2
57.03437	7.7
57.07070	8.5
67.05507	62.2
68.34834	4.3
69.03432	26.6
69.07072	45.7
69.28880	14.4
69.29304	26.2
70.06579	11.2
71.05009	8.9
72.08147	9.7
79.05496	40.1
81.03423	29.4
81.07064	100.0
83.04990	28.9
83.08627	24.6
85.02900	20.7
85.06535	13.5
91.05489	37.3
93.07043	70.2
95.04967	24.8
95.08614	81.7
97.02882	35.3
97.06539	13.2
97.10172	18.2
98.21569	8.5
99.00881	4.6
99.04469	10.5
99.08085	5.3
100.93301	4.5
105.07041	54.6
107.04945	12.6
107.08597	45.2
109.02884	7.7
109.06503	14.2
109.10172	57.4
111.04440	8.7
111.08103	8.9
111.11713	10.6
117.07037	12.0
119.04959	6.0
119.08576	22.8
121.06507	11.7
121.10123	30.1
123.04417	4.6
123.08092	5.4
123.11732	38.7
125.05984	9.4
125.09621	13.5
127.03917	12.3
129.06993	7.8
131.08562	16.2
132.36110	4.6
133.06499	5.0
133.10146	22.3
135.04381	4.4
135.08044	6.8
135.11708	31.6
137.06012	21.6
137.09673	5.2
137.13277	14.9
139.03941	8.7
139.11168	6.8
143.08629	8.9
145.05153	4.2
145.06447	9.7
145.10098	32.2
147.04430	8.2
147.08012	8.2
147.11705	13.0
149.06010	6.1
149.09607	13.5
149.13277	28.3
151.03856	6.1
151.11200	7.9
153.05441	16.8
153.12756	5.0
157.10152	8.0
159.08070	4.9
159.11687	17.1
161.09592	8.6
161.13239	6.6
163.03941	4.8
163.11203	27.9
163.14856	9.1
165.05597	5.2
165.09119	8.7
167.07149	8.1
169.05093	4.4
171.11601	8.3
173.09621	12.4
173.13243	7.3
181.10246	4.1
185.13321	5.0
187.11241	9.7
189.09213	6.3
191.10709	12.2
193.08559	8.1
193.12286	6.6
193.19669	6.2
195.06543	4.9
201.17868	5.1
209.11723	14.2
215.10652	10.0
227.12747	14.3
261.14880	4.2
273.18402	4.9
275.27429	12.0
291.15854	4.8
293.28354	23.2
299.09341	6.1
319.15616	5.0
429.29483	5.6
445.28207	4.8
454.99982	5.0
473.28757	13.4
491.29678	12.4
509.19901	7.7
509.27786	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	509.3114
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
53.03948	3.9
55.01863	3.0
55.05520	10.7
57.03431	3.6
57.07060	1.7
61.88838	1.3
65.03944	1.9
65.04328	1.0
67.05504	32.5
69.03439	10.2
69.07069	16.2
69.36074	9.8
70.06585	4.0
71.01357	1.0
71.04994	3.8
72.08157	4.5
73.02914	1.5
76.42963	1.1
79.05492	16.3
81.03417	8.7
81.07056	38.0
83.01332	2.9
83.02431	1.1
83.04989	6.3
83.08635	5.6
85.02908	6.8
85.06552	4.4
91.05484	13.0
93.07050	20.0
94.06544	1.2
95.01330	2.6
95.04955	8.0
95.08607	19.9
97.02897	11.4
97.06535	5.6
97.10178	2.9
99.00828	8.0
99.04465	6.7
103.05483	1.6
105.03416	1.1
105.07043	17.9
105.07705	2.2
107.04948	4.2
107.08609	13.4
109.02883	4.2
109.06535	6.6
109.10156	48.0
111.04466	2.6
111.08092	3.3
113.02361	1.5
117.01865	1.8
117.07037	3.6
119.04953	1.5
119.08580	9.4
120.08147	2.0
121.02880	2.0
121.06527	6.5
121.10153	11.3
121.53538	1.2
123.04440	2.6
123.08037	3.0
123.11711	8.7
125.06012	4.5
125.09664	3.2
127.03932	6.0
127.11172	1.5
129.07016	2.1
131.08536	6.6
133.06479	3.2
133.10107	6.9
135.04416	3.5
135.08092	3.7
135.11690	5.9
137.05981	10.0
137.09627	2.8
139.03883	1.4
139.07588	3.1
139.11179	1.3
142.07747	1.9
143.08594	3.1
145.00421	1.1
145.06511	1.5
145.10132	10.6
147.04422	3.7
147.08029	2.7
147.11713	7.6
149.02333	2.1
149.06050	2.5
149.09618	4.1
149.13220	2.4
151.03941	3.4
151.07568	4.6
151.11198	3.2
153.05458	6.4
153.09100	1.3
155.07074	3.7
155.08539	1.4
157.10152	3.4
159.08076	1.7
159.11693	5.8
161.06038	4.0
161.09663	3.2
161.13298	1.4
163.03937	4.0
163.07599	3.2
163.11188	7.4
165.05489	1.6
165.09143	5.3
165.12740	2.3
167.07033	3.6
167.08392	1.4
169.04909	1.3
169.10066	1.3
171.07999	1.4
171.11691	2.3
173.09601	3.6
173.13318	3.2
175.07611	4.2
175.11130	1.7
175.14758	2.9
177.05411	6.0
177.09077	2.3
179.07051	1.7
179.10660	2.5
181.04967	12.3
183.06572	7.3
185.09618	2.0
185.13313	1.3
187.07599	1.8
187.11215	3.7
189.09087	8.6
189.12932	2.1
189.16389	1.7
191.07080	3.7
191.10698	4.4
191.14430	1.5
193.08633	1.5
193.12216	2.4
195.06535	33.5
195.07919	1.4
197.09773	1.5
201.09167	1.6
203.10709	3.2
205.08664	3.4
205.12288	3.2
207.06575	3.4
209.08086	13.5
215.10681	2.5
217.12273	1.6
219.10129	1.8
221.08127	5.5
223.09653	19.1
231.13806	1.7
235.09636	4.4
237.11160	9.3
245.15401	1.6
247.17018	1.3
249.11281	5.2
251.12798	3.5
261.01648	1.3
263.12915	3.4
271.06018	8.3
287.12958	1.7
289.14331	1.8
291.15900	7.3
293.17551	2.0
299.05649	3.7
303.15796	1.6
305.17413	12.4
307.19141	4.7
315.15918	2.8
317.17560	3.4
319.19135	6.9
333.17108	2.5
347.18561	3.2
437.27115	2.1
455.27817	6.8
473.28897	20.7
491.13037	2.7
491.30054	100.0
492.30621	3.3
509.14752	4.2
509.20865	2.2
509.31113	63.5
510.31534	2.8
528.50537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3116
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
52.43410	1.7
53.03944	4.1
54.60600	1.4
55.01874	4.8
55.05519	31.8
57.02572	1.6
57.03439	3.4
62.53229	1.7
67.05170	2.1
67.05508	26.8
69.03422	9.1
69.06720	2.6
69.07073	28.6
70.04062	1.4
70.06579	5.4
70.21884	6.8
71.04996	4.7
72.08160	1.9
79.05500	19.9
81.03407	5.3
81.07065	57.2
82.07394	2.0
83.01339	4.8
83.04993	6.0
83.08620	6.2
83.56540	1.5
85.02907	4.4
85.06570	4.0
91.05487	14.2
93.07053	33.7
95.01338	2.5
95.04958	4.9
95.08617	42.2
96.57756	1.8
96.74875	1.4
97.02901	6.6
97.06525	9.3
97.10180	18.2
99.00832	19.8
99.04449	8.7
99.08081	2.9
105.07034	16.2
107.04971	3.7
107.08608	28.6
109.02903	5.2
109.06537	5.7
109.10163	28.7
111.04500	2.9
111.08073	3.0
111.11720	5.3
113.02399	4.6
113.05981	1.8
117.07013	3.5
119.04968	1.8
119.08601	10.9
121.06558	3.7
121.10159	16.2
123.04430	2.3
123.08075	2.1
123.11699	11.0
125.06006	6.5
125.09653	4.8
127.03933	2.3
129.07007	3.2
131.08569	5.5
133.06557	2.2
133.10153	8.6
134.41245	1.5
135.04425	4.3
135.08026	3.9
135.11693	13.4
137.05986	5.5
137.13271	3.2
139.03917	2.7
139.07553	3.8
139.11209	3.9
143.08617	3.5
145.06459	2.7
145.10147	10.9
147.04335	2.0
147.08078	3.6
147.11682	5.6
149.02362	2.4
149.06033	4.1
149.09657	3.0
149.13275	5.7
151.07561	6.0
151.11200	2.7
153.05472	12.1
155.07051	5.6
157.10249	4.0
159.08025	2.1
159.11720	6.0
161.06024	4.5
161.09605	2.2
161.13338	4.4
162.64828	1.7
163.03850	4.4
163.07591	4.9
163.11194	6.2
163.14841	2.0
165.09177	4.8
167.07089	3.2
171.08063	4.2
171.11700	3.5
173.13222	3.4
175.07584	7.4
175.11154	2.4
177.05522	10.7
177.09111	5.5
177.12720	2.3
177.16396	2.6
179.10754	4.2
181.04985	28.6
181.10072	1.8
183.06514	10.0
185.13228	2.3
186.15979	2.9
187.11234	4.6
189.09138	18.4
191.07074	4.7
191.10677	4.9
193.08603	2.6
193.12280	2.3
193.62440	1.8
195.06548	67.0
201.12863	2.8
201.16341	2.3
203.06976	1.9
203.10698	4.9
205.08784	2.4
205.12357	1.8
207.06580	4.8
209.08096	29.5
215.10638	2.0
221.08206	4.9
223.09682	41.2
223.13229	1.9
235.09708	8.0
237.11235	37.7
247.09734	2.3
249.11237	17.1
251.10486	2.1
251.12685	9.1
257.22803	1.6
261.11401	3.2
263.12863	5.2
277.14450	2.5
289.14322	3.6
291.15964	7.2
293.17664	3.0
303.15881	4.1
305.17496	7.9
307.18967	10.7
315.15970	2.6
317.17487	23.8
319.19049	8.5
329.17538	5.3
331.19113	2.3
335.18488	12.1
357.20602	2.7
427.28644	6.1
429.30099	6.5
437.26974	4.4
445.29581	17.8
455.27902	12.3
464.05499	1.7
473.22284	3.4
473.29004	61.3
474.29468	3.1
491.30078	96.2
509.23990	7.3
509.31149	100.0
510.31165	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	508.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
57.03431	0.5
57.05804	0.4
57.07076	1.0
58.06598	4.1
59.58834	0.2
64.67776	0.2
67.05493	0.8
68.05024	0.3
69.07050	0.3
70.53314	0.3
70.53638	0.5
71.08626	0.7
79.05521	0.2
81.07033	0.5
82.06584	2.9
83.07365	11.6
85.10164	0.5
88.07635	2.0
93.07018	0.2
95.08598	0.5
96.08150	0.3
98.09697	87.1
99.10026	0.4
103.09135	0.2
109.10154	0.3
116.10737	100.0
117.11097	0.5
121.10152	0.2
147.89989	0.2
147.91164	0.2
153.51965	0.2
196.07349	51.6
197.07797	0.2
270.11081	0.7
293.28973	0.2
296.52365	0.2
303.73666	0.2
303.77081	0.2
313.27371	1.2
325.48898	0.2
490.32904	5.0
508.34055	19.9
509.34344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49005	5.4
55.05526	15.6
57.07079	23.1
67.05505	20.5
69.07065	15.7
71.08633	18.9
71.48049	10.5
79.05496	16.5
81.07050	31.6
82.07389	6.9
83.08616	8.4
85.10180	13.5
85.98536	5.7
86.78393	6.2
91.05498	8.0
93.07043	13.6
95.08632	20.2
97.10236	6.8
101.67860	5.9
109.10168	7.2
120.96026	5.9
125.06064	6.6
131.69127	5.3
133.10057	7.5
153.05522	36.2
197.04510	22.7
199.05998	47.7
205.46927	5.7
271.20319	5.3
311.18848	6.2
463.34311	27.8
465.35706	100.0
508.41119	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52068	0.8
71.53520	1.1
85.20653	0.8
90.51324	0.8
97.02918	1.5
98.97594	1.2
116.98627	1.5
119.01884	4.2
135.53677	0.9
163.12500	0.9
177.00957	10.8
178.01030	1.1
217.04103	3.7
219.02025	21.5
220.02228	1.2
221.01775	1.3
225.01015	2.0
235.00027	1.1
243.01959	11.8
258.99979	3.5
260.00165	2.7
261.00122	4.8
261.03070	100.0
262.03210	6.7
263.02927	2.9
264.03137	1.0
275.04767	1.4
277.01071	4.0
278.01151	1.8
279.00870	3.9
283.00024	7.8
284.00095	6.9
284.04773	2.1
284.99832	8.2
286.99713	2.3
301.01065	9.9
302.01215	9.9
303.00858	9.8
304.01114	2.3
305.00665	3.9
316.99045	1.0
361.00046	1.6
367.02087	3.3
385.03284	22.7
386.03238	1.4
400.97369	1.4
401.01846	1.0
402.96555	1.6
403.04715	20.0
425.00827	1.5
426.01157	2.7
427.00995	1.2
443.02249	2.9
444.02420	8.1
445.02142	2.5
458.90958	0.9
467.03262	1.0
487.48016	1.2
501.10541	1.0
508.96469	6.3
509.03287	8.4
526.96960	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	509.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99994	0.3
53.03928	0.6
55.01877	0.4
55.05483	1.5
57.03424	0.5
57.07055	0.5
57.63365	0.4
59.14980	0.3
63.16240	0.4
64.32698	0.3
65.03908	0.4
67.05497	3.1
68.99773	0.5
69.03397	1.6
69.07069	2.4
70.06552	0.6
71.04974	0.4
71.55151	0.4
72.08128	0.9
73.02892	0.4
79.05513	2.3
81.03444	2.1
81.07068	6.7
83.04988	1.8
83.08591	1.2
85.02886	1.1
85.06522	0.7
87.00834	0.5
88.86372	0.3
89.03918	2.3
91.05477	3.6
93.07056	3.9
95.01324	1.0
95.04975	1.9
95.08609	4.3
97.02872	1.5
97.06516	1.1
97.10159	0.7
99.04407	0.5
100.11239	0.5
102.04678	0.7
103.05473	4.6
105.03410	0.4
105.07047	4.5
107.01324	0.4
107.04918	1.3
107.08585	2.8
109.02873	0.7
109.06450	0.8
109.10163	3.6
111.04441	1.0
111.11676	0.5
115.05423	0.8
117.03382	4.2
117.07005	1.4
118.04153	2.2
119.04912	0.8
119.08595	1.8
121.06518	3.6
121.10136	2.1
123.00787	2.5
123.04404	1.2
123.08034	0.6
123.11700	2.1
125.05939	0.7
125.09653	0.9
127.03890	1.3
127.05405	0.5
128.06232	0.9
129.07013	0.5
130.04120	2.1
131.04936	3.6
131.08521	0.9
132.05690	0.6
133.02876	0.5
133.06500	2.1
133.10115	1.8
134.03642	3.7
135.04355	0.8
135.08055	0.6
135.11659	1.5
137.05974	1.1
137.13159	0.5
141.06982	0.5
144.05685	0.6
145.02861	3.5
145.06470	0.8
145.10114	1.7
146.03578	0.8
147.04405	1.1
147.11656	1.0
148.05174	1.4
149.02338	0.5
149.06000	3.4
149.09576	0.9
149.13239	1.0
151.03917	1.2
151.07559	0.6
152.01056	2.0
153.01819	1.8
153.05479	1.0
155.04930	8.0
155.06035	0.5
157.06456	0.4
157.10017	0.4
159.04404	0.4
159.11673	1.1
160.05164	0.7
161.06018	1.9
161.13229	0.6
163.03903	1.0
163.07510	0.6
163.11150	1.3
163.14795	0.6
165.05396	0.5
166.06274	0.4
167.07022	1.6
168.05617	0.4
170.02113	0.8
171.04370	1.0
172.05235	1.0
173.09607	0.8
173.13258	0.5
175.14886	0.5
176.04704	2.7
177.05479	2.5
179.06979	0.5
180.10220	0.8
182.15370	0.4
183.04411	6.1
183.11674	0.5
184.05112	1.2
185.05989	0.9
187.07558	2.8
187.11203	0.7
187.14848	0.5
191.07022	4.1
191.10709	0.6
192.07808	0.9
193.08601	2.0
197.06017	0.8
200.04646	2.9
209.08098	0.7
211.03912	5.2
212.04636	1.2
213.05469	1.5
215.07091	0.5
224.04663	0.7
225.05489	1.9
227.12787	0.4
228.04164	2.7
229.04938	0.5
230.05740	0.9
239.03381	5.9
240.04134	1.0
241.05009	3.1
243.06689	0.6
245.08049	1.0
253.05029	0.6
255.02847	1.0
256.03674	12.3
256.07245	1.4
257.04468	0.7
268.03882	0.7
269.04449	2.2
271.06021	100.0
272.06488	1.0
285.04025	1.0
285.07571	0.7
286.04715	4.4
297.07477	0.6
299.05515	41.1
300.03186	0.5
300.06323	8.6
301.07074	17.8
311.05383	0.7
369.27792	0.5
404.08920	0.4
429.29703	0.5
433.09125	0.4
446.73621	0.4
461.08932	0.4
465.24686	0.5
473.28992	0.6
479.13412	5.9
491.13379	40.5
491.29169	1.2
492.13501	1.6
509.14444	61.6
509.30371	1.2
510.14868	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79729	2.2
53.03943	10.4
53.81712	2.2
55.01867	5.1
55.05511	7.0
56.73127	2.0
57.07072	2.4
61.02929	5.0
62.06101	5.7
67.05495	12.0
69.03423	19.3
69.07058	9.8
69.15899	2.2
70.06593	24.1
71.04998	6.4
71.06908	2.1
71.54459	3.2
72.08164	14.2
73.02913	4.3
74.06077	3.8
79.05474	10.2
79.89622	2.4
81.03427	39.0
81.07068	12.7
82.06607	2.4
83.04998	10.6
83.08618	7.1
84.04481	3.0
84.08144	6.7
85.02914	31.8
85.06551	2.9
86.09705	5.0
87.00820	7.0
87.04446	2.2
89.06018	3.8
91.05473	17.2
93.07068	17.4
95.04977	57.5
95.08617	18.7
97.02890	14.5
97.06543	7.5
98.06005	2.6
99.04461	13.9
99.05586	2.8
105.01868	9.5
105.07046	25.2
107.04934	6.6
107.08610	23.3
109.02882	8.2
109.06516	3.0
109.10156	6.0
111.08093	5.5
112.07664	2.6
113.06020	6.4
116.07082	5.9
117.07014	6.5
119.04945	8.0
119.08605	23.1
120.08125	9.1
121.06482	6.0
121.10180	21.0
123.04431	4.6
123.08076	9.0
123.11676	3.8
124.07561	3.4
125.06009	3.6
125.09621	4.3
127.03954	19.3
129.07074	3.0
129.10251	3.7
131.08583	22.1
133.06488	3.3
133.08595	3.2
133.10144	11.2
135.04407	10.3
135.08051	2.6
135.11697	4.7
136.07611	4.2
137.02406	4.2
137.05988	2.7
137.09610	4.0
138.05524	5.1
142.08495	2.8
143.08525	2.8
145.04970	5.7
145.10112	8.1
147.04405	11.2
147.08144	2.1
147.11732	24.2
149.05998	2.6
149.09639	22.6
150.09146	5.9
151.07533	13.8
152.07115	2.4
153.09157	13.7
156.09392	6.0
159.02925	8.4
159.11696	12.5
161.13304	16.7
163.11214	9.0
164.06998	2.4
165.05553	5.8
165.12782	18.3
166.08652	2.9
167.07053	5.0
169.08620	7.0
171.11700	8.9
177.05429	5.4
177.12746	6.5
178.05011	8.1
179.14330	3.7
189.12769	24.8
193.12241	7.4
195.13841	5.3
206.04576	8.2
207.13826	100.0
210.14896	4.4
213.09081	6.3
225.14867	62.7
231.04907	2.7
243.15892	17.4
259.06021	2.5
260.06485	2.8
262.21332	2.3
267.15823	5.4
285.16943	10.9
302.19498	4.0
334.71487	2.4
346.16772	2.7
346.22159	10.4
508.14252	5.4
508.27414	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	508.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.6
55.01855	8.5
55.05500	10.7
57.03448	4.5
61.02916	4.0
67.05489	16.7
69.03417	17.1
69.07062	9.7
69.32801	34.7
70.06593	39.9
71.04982	11.1
72.08141	14.5
77.76994	3.4
79.05508	4.2
81.03429	22.3
81.07059	26.5
83.04977	13.2
84.04489	4.8
84.08134	5.4
84.75784	4.5
85.02900	33.2
86.09698	7.8
87.00831	16.7
87.04421	5.3
91.05476	13.3
93.07046	9.6
95.04971	74.4
95.08620	25.5
97.02898	21.4
97.06512	12.8
98.21509	7.8
99.04471	43.0
105.01843	10.9
105.07039	18.7
107.04980	4.6
107.08586	20.9
109.02881	18.1
109.06527	10.8
109.10155	27.1
111.08105	7.2
116.07056	4.5
119.04942	8.8
119.08570	23.9
120.08086	12.8
121.10159	34.6
122.07195	5.0
123.08078	20.1
123.11717	13.4
124.07563	7.8
125.06050	4.5
125.09631	4.7
127.03925	22.2
127.07520	4.7
127.11114	5.0
131.08589	4.8
133.10101	10.0
135.04413	5.4
135.11678	8.1
137.05942	5.9
137.09598	26.2
137.13269	7.0
138.05499	98.2
138.09167	4.1
145.04964	10.6
145.10138	10.0
147.04422	25.7
147.11684	16.8
149.09575	19.0
151.03964	4.7
151.07620	4.3
151.11183	11.7
153.07809	3.9
153.09071	28.3
159.02841	6.5
159.11685	6.0
161.13255	20.7
163.03920	6.6
163.11214	14.5
165.12756	14.3
166.08630	9.5
166.69556	4.0
173.13228	5.7
177.05429	7.8
179.14331	7.4
181.12242	13.7
183.06627	4.4
189.12762	38.6
207.13828	45.5
212.09404	4.3
225.14876	100.0
243.15984	8.2
253.99588	3.9
263.44424	4.5
292.11844	4.3
508.18851	9.8
508.25601	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	508.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.2
53.87606	2.5
55.01858	4.5
55.05505	7.6
57.03427	2.4
57.17632	2.6
58.31800	2.3
67.05487	8.8
69.03429	18.7
69.07042	8.6
69.73674	8.2
69.74082	5.5
70.06599	14.7
71.04981	7.0
72.08151	7.2
73.02929	4.2
79.05489	7.0
81.03426	15.6
81.07065	31.6
83.04943	7.5
84.04525	3.0
84.08146	4.1
85.02911	44.5
85.06592	2.6
86.09688	5.5
87.00843	13.4
88.02181	3.6
91.05464	8.2
93.07027	12.2
95.04987	13.4
95.08613	21.2
97.02898	18.1
97.06528	5.6
97.10187	3.1
99.04471	29.5
99.08083	7.4
105.01858	16.1
105.07023	10.7
107.04962	6.1
107.08616	14.2
109.02906	17.8
109.06506	18.0
109.10159	24.0
110.61546	2.6
111.08067	6.5
118.00061	3.0
119.04961	3.7
119.08566	20.4
120.08104	3.8
121.06503	3.0
121.10133	23.8
123.08070	26.7
123.11673	8.0
125.09668	2.6
127.03936	28.1
127.07561	5.3
131.08565	4.6
133.10207	4.3
134.02716	2.6
135.08104	4.4
135.11670	7.9
137.09615	19.7
137.13228	9.6
138.05507	5.7
141.09138	2.7
143.08551	2.9
145.04962	7.9
145.10156	6.6
147.04425	7.4
147.08029	3.2
147.11699	28.1
149.09630	81.4
151.07542	4.9
151.11162	8.3
153.09081	3.0
156.09338	2.8
159.02902	7.2
159.11693	8.0
161.13272	14.3
163.11172	14.6
165.12810	13.7
166.08600	3.8
167.10675	5.1
171.11737	4.6
179.14235	7.4
181.12256	18.0
183.13853	6.4
189.12790	37.7
195.13814	4.8
207.13812	100.0
212.09181	6.4
225.14874	93.8
231.05023	3.1
231.08759	3.2
243.15953	9.1
328.15640	3.6
346.16779	7.3
360.64502	2.7
393.14148	2.9
465.51822	2.7
508.18585	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	508.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
53.38371	0.8
55.05500	0.9
58.52642	0.7
65.03933	2.9
69.03430	1.9
70.06599	1.4
70.26998	3.2
79.05505	7.4
80.05018	1.3
81.03425	3.5
81.05801	1.7
83.04997	1.1
85.02914	2.0
89.03925	5.6
92.05004	6.5
95.04957	2.4
96.08158	7.1
97.02874	1.3
106.04198	1.0
106.06561	43.3
107.04980	1.0
107.20068	0.9
108.08121	11.3
109.02880	1.7
109.05227	1.1
117.03382	20.1
120.08114	1.0
122.06053	1.5
123.06812	5.7
124.07597	26.1
124.91108	0.8
134.06015	31.5
136.07579	2.2
137.06003	3.0
145.02850	56.3
149.05971	6.6
151.03944	1.3
152.07074	72.6
160.07608	1.1
170.06932	0.9
170.08130	54.6
177.05476	100.0
180.73112	0.8
186.05524	1.3
192.06973	0.8
206.94867	0.8
250.08679	2.1
261.77374	0.9
267.08957	1.3
282.11185	2.5
310.10773	3.6
314.12354	2.3
321.09741	3.9
328.11862	2.6
332.13434	12.1
339.10870	3.9
346.14136	0.8
448.57321	0.8
472.16528	1.0
490.17163	24.0
491.17474	1.1
508.18167	43.3
509.18741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01868	2.6
55.05263	1.7
55.05517	26.0
57.03448	8.3
57.07079	10.9
59.05001	3.8
65.03948	3.1
67.05512	100.0
68.72118	1.3
69.07078	19.3
69.90385	4.1
69.90795	2.8
71.04989	4.7
71.08627	8.7
74.83783	1.1
79.05061	2.2
79.05501	28.9
81.03419	1.9
81.07066	66.2
83.04967	3.1
83.08628	17.2
85.06556	3.8
85.10188	5.4
91.05489	19.9
93.07058	37.1
95.04987	2.2
95.08617	46.2
95.09233	2.4
97.06526	3.1
97.10171	14.5
98.93443	1.2
99.08108	2.4
105.07035	18.4
107.08606	25.9
109.06561	1.9
109.10168	57.2
111.08085	4.1
112.63045	1.2
117.07047	8.9
119.08590	15.9
121.06546	1.4
121.10157	17.8
123.08102	1.7
123.11716	8.9
125.09637	7.3
129.07059	1.5
131.08578	12.5
133.10141	13.0
135.08028	1.9
135.11702	12.3
137.09586	2.5
137.13258	3.9
139.11198	1.5
143.08646	1.7
145.10153	10.0
147.11705	8.7
149.09598	1.7
149.13277	12.4
151.11148	1.2
155.10698	2.7
157.10156	1.4
159.11673	10.7
161.13278	4.5
163.11162	1.3
163.14934	2.9
170.59602	1.2
171.11705	2.8
173.11772	11.8
173.13300	5.0
175.14877	2.0
177.12788	1.4
180.89177	1.3
185.13286	2.7
187.14790	4.3
189.11269	7.7
195.13791	2.7
199.14839	2.2
201.16513	1.4
209.11510	1.7
215.18091	1.6
227.12833	9.2
229.14362	31.7
231.15903	1.7
232.71375	1.2
239.23842	2.6
241.19540	1.5
243.21155	3.9
257.18921	1.8
259.20575	3.3
261.22177	22.7
289.21561	1.9
290.75226	1.4
317.24741	4.3
335.25790	16.8
397.31015	5.7
415.32098	8.1
433.33093	3.5
489.35703	29.4
507.28345	2.9
507.36636	13.6
507.40347	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	507.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.05512	25.9
56.07414	1.5
57.03448	9.4
57.07077	10.1
59.04998	4.7
61.56742	1.4
64.06217	1.5
65.03942	4.2
67.05508	100.0
68.05854	2.0
68.80190	1.4
69.03440	2.5
69.07073	16.8
69.32428	14.4
71.04996	5.1
71.08623	4.6
75.13541	1.4
79.05492	30.5
81.03429	5.0
81.07062	64.7
83.04956	2.0
83.08614	16.5
85.06539	4.0
85.10184	4.8
91.05482	24.8
93.07051	43.3
95.04947	4.8
95.08607	49.5
97.06541	4.2
97.10180	16.4
99.08099	2.4
103.05431	1.8
105.07041	22.3
107.08601	25.2
107.18988	1.7
109.10162	61.8
111.08080	5.2
113.03498	2.9
114.48469	1.6
117.07023	9.4
119.08581	20.0
121.06512	1.6
121.10150	20.1
123.08077	2.4
123.11704	10.1
125.09642	11.5
129.06998	2.6
131.08586	15.6
133.08621	1.8
133.10181	15.3
135.08014	3.0
135.11693	14.9
137.09634	2.3
137.13274	3.4
139.11229	3.4
139.85008	1.6
143.08556	3.3
145.10129	10.2
147.11678	12.4
149.09634	2.4
149.13228	8.5
155.08641	1.9
155.10660	3.7
157.10167	3.3
159.11685	10.6
161.13205	8.2
163.14842	5.6
171.11732	4.9
173.11754	16.7
173.13251	5.7
175.14825	2.9
185.13350	3.5
187.14862	5.7
189.11244	9.4
194.12503	2.3
195.00333	15.8
199.32870	2.0
215.17818	1.7
227.12825	12.2
229.14330	32.5
229.16534	1.9
231.15918	2.9
243.21086	5.4
259.20706	3.5
261.22159	25.7
263.23404	1.6
277.21655	2.3
289.21545	1.9
293.20917	1.7
313.27451	3.9
317.24945	3.9
335.25797	22.1
341.23648	1.8
351.25455	1.9
353.26743	1.7
379.30090	3.8
397.30997	8.4
398.60965	1.7
415.32172	8.4
433.33099	9.4
471.34476	4.2
489.35785	36.2
507.27005	1.8
507.28433	2.2
507.36670	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3683
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03945	2.8
55.01866	2.6
55.05515	20.8
57.03433	6.9
57.07083	8.0
59.04999	3.5
65.03934	3.3
67.05509	100.0
68.05848	2.0
69.03434	2.2
69.07073	18.7
71.04990	3.7
71.08616	5.0
79.05048	3.0
79.05496	30.5
81.03413	4.2
81.07061	62.9
82.07323	1.6
83.04980	4.5
83.08611	16.1
83.37065	1.3
85.06553	4.0
85.10183	2.8
91.05489	20.2
93.07049	33.0
94.24079	1.9
95.04987	4.2
95.08617	45.5
97.06519	3.0
97.10187	14.8
99.08125	1.8
99.81020	1.5
105.07045	17.6
107.08604	25.9
109.10163	62.5
111.08075	3.8
114.03885	1.9
117.07022	7.8
119.08593	19.5
121.09411	2.2
121.10165	17.7
123.08025	2.0
123.11732	9.9
125.09634	10.4
129.07019	2.6
131.08580	12.8
133.10149	12.4
135.07976	2.1
135.11685	12.4
137.13303	2.5
143.08551	3.7
145.10150	11.0
147.11682	10.9
149.09615	2.8
149.13231	9.4
155.10712	4.3
157.10150	3.4
159.11700	9.6
161.13258	7.1
163.14845	4.1
171.11638	3.5
173.11751	14.6
173.13284	7.5
175.14818	3.1
185.13271	3.3
187.14880	4.2
189.11177	7.1
195.00287	12.1
197.13211	1.6
199.14839	3.2
199.16544	2.1
227.12814	10.8
229.14349	38.3
231.15849	2.4
241.19441	1.8
243.21138	5.5
259.20554	2.3
261.22162	22.0
263.23636	2.1
277.21280	1.6
289.21658	2.5
313.27432	3.7
315.61951	1.6
317.24823	4.3
335.25818	24.6
344.01407	1.5
379.29907	4.5
397.31055	9.3
415.32166	9.3
433.33255	8.1
471.34607	5.2
476.04355	1.7
489.35809	40.9
507.28952	2.9
507.36578	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01868	2.8
55.05516	22.4
57.03430	7.1
57.07075	14.4
59.04981	2.2
59.53262	1.1
62.43224	1.1
65.03927	3.4
67.05508	100.0
68.15588	1.0
69.03416	2.5
69.07066	15.6
70.80719	1.1
71.04971	5.5
71.08630	9.2
71.19430	1.0
71.56720	1.7
79.05496	33.8
79.89829	1.4
81.03429	5.6
81.07060	70.8
82.07379	1.3
83.04961	3.5
83.08627	16.7
85.06528	3.6
85.10191	6.0
91.05486	25.0
93.06477	1.9
93.07050	39.6
95.04949	5.0
95.08608	46.5
97.06517	4.6
97.10171	16.6
105.07025	17.5
107.08596	29.9
109.06483	2.7
109.10160	54.3
111.08085	5.1
111.11707	1.4
117.07035	7.2
119.08576	16.2
121.10152	18.3
123.08026	2.2
123.11726	11.0
125.09637	12.8
129.07039	1.8
131.08562	11.5
133.10129	12.9
135.08081	1.6
135.11699	11.7
135.20201	1.1
137.09602	1.4
137.13206	2.7
139.05209	1.2
143.08624	1.2
145.10138	9.7
147.11707	9.8
149.09636	1.3
149.13269	12.4
151.11211	1.3
155.10658	2.8
157.10133	2.6
159.11717	9.6
161.13269	7.5
163.11259	2.0
163.14813	4.0
170.94801	1.2
171.11674	2.0
173.11725	12.7
173.13266	7.6
175.14842	3.2
177.12779	2.1
185.13152	2.2
187.14822	4.1
189.11232	8.4
189.16388	1.3
193.12173	2.0
195.13843	2.6
197.13332	2.2
199.14867	2.2
201.16435	1.9
227.12735	8.7
229.14351	28.6
239.23788	2.1
243.21037	3.4
245.22849	1.5
259.20554	2.9
261.22168	28.7
263.23651	2.5
277.21753	1.7
279.23148	1.5
299.23468	1.9
317.24704	5.3
335.25787	19.8
379.29871	3.3
397.31018	4.6
415.32153	6.4
433.33051	4.4
449.32623	1.8
471.34354	1.5
489.35751	34.4
507.26575	2.5
507.36765	15.2
507.40112	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	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21008	3.5
53.03940	7.9
55.01882	6.5
55.05507	22.0
57.03419	4.1
57.07072	6.7
63.53362	2.8
67.05508	41.3
69.03435	14.5
69.07072	34.4
69.89798	15.7
70.06583	13.7
71.04996	7.0
72.08150	13.8
79.05489	21.4
81.03404	12.4
81.07065	100.0
83.05006	5.9
83.08610	13.8
84.04523	4.9
84.08150	3.9
85.02892	23.4
85.06546	8.2
86.09706	12.4
87.04468	4.1
91.05471	14.4
93.07056	38.8
95.04991	4.9
95.08616	89.1
97.02905	21.5
97.06527	7.5
97.10155	9.4
99.04487	4.9
99.08099	7.3
102.36338	3.8
105.07041	16.1
107.04935	5.8
107.08610	33.0
109.02943	5.4
109.06587	3.9
109.10165	86.4
111.04423	3.7
111.08089	8.9
111.11739	4.5
115.03935	4.9
115.05524	3.5
116.07092	7.0
117.07002	3.9
119.08575	17.1
120.08103	5.3
121.06496	3.4
121.10152	31.3
123.08038	3.4
123.11724	35.7
127.03937	10.8
131.08575	3.4
133.02931	3.3
133.10112	13.5
135.04375	5.6
135.08060	5.7
135.11711	29.9
136.07561	5.1
137.05971	9.6
137.13271	9.7
139.11191	10.0
145.02968	3.7
145.10158	4.2
147.04428	4.7
147.11691	10.9
149.13266	28.7
151.14827	4.7
153.05493	6.8
153.12706	5.0
159.07977	4.3
161.13242	7.2
163.03990	4.5
163.14804	18.0
164.07127	4.8
165.16525	3.6
175.22470	3.2
177.05487	5.6
177.16440	15.6
181.15874	4.3
189.16342	4.0
191.17960	9.2
203.17876	4.6
204.62990	3.3
217.19489	5.6
247.24234	4.8
261.25751	9.4
273.25806	20.3
279.26782	8.0
291.26840	36.2
303.04984	9.3
309.27887	22.3
327.28864	4.0
459.60837	3.7
507.19571	4.9
507.27731	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	507.2955
Annotation	Mucronine A
Peak:m/z	Relative Intensity
51.89346	0.7
53.03943	1.1
55.05264	1.0
55.05515	14.0
57.03429	0.7
57.07077	1.1
57.65196	0.6
67.05510	8.2
69.03426	2.1
69.07076	6.7
69.98843	1.2
69.99255	2.0
71.04976	0.8
79.05486	2.6
81.03400	1.1
81.07056	8.0
83.01349	1.4
83.04982	1.2
83.08615	2.2
84.08119	0.6
85.06525	0.9
86.09673	0.6
91.05482	2.6
93.07051	6.0
95.01336	1.4
95.04968	1.7
95.08611	6.2
97.02900	1.5
97.06535	1.9
97.10182	13.6
98.21432	0.7
99.00825	6.0
99.04472	3.3
105.07030	3.5
107.08596	4.5
109.02899	1.0
109.06552	1.8
109.10159	10.2
111.04479	0.8
111.08062	0.8
111.11755	1.0
113.02362	1.2
113.09676	0.6
117.07014	0.7
119.08603	3.4
121.06626	0.6
121.10139	2.9
123.08099	1.6
123.11701	1.3
125.05962	1.2
125.09637	1.8
127.03918	1.2
131.08583	0.8
133.10118	3.1
135.08141	1.6
135.11719	1.3
137.06021	1.8
137.09663	2.1
139.07562	0.8
139.11230	1.8
141.12785	0.7
142.29411	0.6
145.06537	0.7
145.10153	1.7
147.08029	0.9
147.11736	1.5
149.02391	1.1
149.06056	0.9
149.09657	0.8
151.07562	2.4
151.11110	0.8
153.05487	2.2
155.07077	2.2
157.06604	0.7
157.10182	0.8
157.12250	0.6
159.11696	0.7
161.05988	2.2
161.09625	0.6
161.13329	0.9
163.03879	1.6
163.07582	1.4
163.11142	0.8
165.09131	2.0
168.13832	1.0
169.04942	0.6
169.67499	0.6
171.08130	1.0
173.13211	0.8
175.07562	3.0
177.05475	2.7
177.09085	1.6
179.07037	0.6
179.10689	1.1
181.04977	9.8
183.06560	4.4
187.60701	0.6
189.09102	4.8
191.07059	1.1
191.10751	0.8
193.12332	0.9
195.06548	21.1
196.13322	0.7
201.08923	0.8
203.10703	2.0
205.08746	0.7
207.06613	1.9
209.08092	10.5
209.09891	0.8
215.10593	0.7
217.08618	0.6
221.08121	4.7
223.09683	12.0
231.13884	1.1
235.09706	2.5
237.11218	7.5
245.15468	1.0
249.11212	4.3
251.12833	2.7
259.09717	0.7
261.11346	0.6
263.12851	2.4
271.16983	0.8
289.14481	1.2
291.15936	4.8
303.15994	2.1
305.17493	7.4
307.19113	2.2
315.15869	2.3
319.19055	3.9
333.16977	3.8
443.27899	1.1
453.26575	0.8
471.27747	1.7
489.28537	20.6
507.29562	100.0
508.29941	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	507.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01870	0.8
55.05264	0.6
55.05515	6.9
57.03430	2.0
57.07059	0.9
64.15765	0.5
65.03926	0.5
67.05174	0.7
67.05514	10.5
69.03429	0.5
69.06722	0.6
69.07076	9.9
70.06596	0.5
70.67757	0.4
71.04973	1.3
72.08159	0.7
76.17319	0.4
79.05490	4.7
81.03394	0.4
81.07061	12.6
83.04981	0.6
83.08634	5.1
85.02898	0.5
85.06565	0.5
85.10251	0.5
89.03915	4.2
91.05492	3.3
91.21691	0.4
93.07053	4.3
95.04993	0.6
95.08619	8.8
97.06533	1.0
97.10169	3.8
98.21515	0.9
99.08097	0.6
105.07063	2.5
107.04976	2.0
107.08615	2.3
109.06516	0.8
109.10169	4.7
111.04457	0.4
111.08114	0.8
111.11694	1.2
113.09723	0.5
117.03403	6.7
119.08580	1.9
121.02890	0.4
121.10149	4.0
123.11735	1.2
125.13267	0.5
128.07095	0.6
133.10170	2.2
135.04430	14.0
135.07957	0.4
135.11708	2.9
137.09637	0.7
137.13245	0.9
139.11160	0.5
145.02864	11.6
147.11688	1.8
149.13242	0.6
151.11189	0.7
151.14874	0.6
153.05429	0.8
153.12755	0.8
161.13254	1.5
163.03918	100.0
164.04250	0.6
181.04977	9.1
186.05511	0.6
217.19592	2.5
235.20618	4.1
237.07591	1.6
253.21593	1.1
309.24323	2.3
327.25333	17.3
489.28372	1.3
507.29861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1838
Annotation	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Peak:m/z	Relative Intensity
53.03936	0.6
57.03423	0.5
69.03413	0.8
70.06577	0.7
71.54728	0.8
72.08141	1.6
83.06091	0.9
84.04534	0.4
85.02888	1.2
86.03555	0.7
86.09737	0.6
95.06110	0.6
97.02856	0.6
104.04976	0.6
105.05757	0.6
111.05572	4.1
120.04460	2.0
123.05589	0.6
125.05866	0.6
126.06616	1.0
127.03930	0.8
132.04457	15.8
134.06024	3.0
135.04529	0.5
137.04700	1.0
146.43481	0.4
147.04430	0.5
150.05539	1.4
151.06169	5.8
166.07346	0.5
176.07039	0.6
187.08731	0.6
194.06784	2.9
202.09729	1.3
203.08199	0.6
209.26920	0.5
230.09261	1.2
231.07709	0.9
232.10742	1.1
242.09218	3.5
257.10361	2.5
259.11884	7.7
284.11420	4.0
301.14310	0.7
302.12445	10.6
327.11908	2.3
345.13068	100.0
346.13287	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.05508	8.6
56.19254	1.7
57.07078	10.0
58.15867	1.9
59.04992	1.9
67.05505	19.9
68.05016	8.8
69.03430	6.8
69.07066	6.0
70.06593	42.5
71.55952	2.8
72.08160	3.5
79.05495	23.1
80.04989	2.9
81.03437	6.3
81.07057	27.3
82.06573	7.1
83.04974	6.6
83.08614	3.0
84.08152	15.9
85.06537	3.6
91.05492	31.7
93.07050	34.6
95.04961	6.2
95.08600	18.5
96.08118	19.6
97.02935	2.4
97.06509	3.9
98.06032	1.9
98.21257	1.9
100.07622	26.7
103.05476	2.4
105.07033	66.9
106.06554	4.8
107.08605	20.6
108.08131	13.3
109.06551	5.1
109.10159	10.2
110.09690	7.1
114.05547	10.1
115.05452	3.5
116.07082	2.9
117.07030	9.8
119.07799	3.1
119.08588	37.2
120.08114	11.4
120.08860	1.9
121.06499	6.4
121.10152	14.4
122.09663	3.9
123.08102	13.9
125.05984	6.0
128.06203	7.3
128.07071	42.7
129.07028	14.2
130.07797	5.1
131.08566	20.3
132.08101	3.2
133.10132	15.4
134.09663	11.9
135.08041	8.4
135.11685	4.7
136.11223	7.0
137.09621	16.8
141.07013	4.1
142.07776	20.8
142.08678	2.9
143.08551	23.5
144.09317	5.3
145.10126	26.5
146.09663	3.0
147.08047	30.2
147.10516	2.3
147.11720	5.8
148.11194	23.2
149.09651	4.1
149.12012	3.3
151.07565	6.7
154.08656	48.7
155.08553	9.5
156.09320	10.7
157.10136	40.2
159.08128	2.7
159.11697	15.2
160.11205	7.9
161.09630	8.2
161.13272	5.5
162.12802	8.0
163.03909	6.9
163.11235	9.6
164.04340	2.3
164.07118	3.3
165.09114	62.3
167.08582	2.4
168.09198	2.6
169.10104	10.2
170.10934	5.8
171.11664	12.5
172.11214	6.0
173.09674	2.2
173.11862	3.7
173.13312	3.3
174.12767	9.7
175.11136	2.6
178.08672	6.7
181.10086	2.8
181.12239	8.1
183.11731	16.8
185.13249	19.9
186.12743	4.1
187.11206	3.5
187.14757	2.3
188.14351	6.6
189.12759	2.3
194.11823	27.7
195.11780	4.0
196.12592	2.0
197.13326	3.3
198.12733	2.7
199.11235	2.5
200.14432	2.8
201.12878	2.3
203.14310	18.4
206.11710	2.9
207.13780	4.8
209.13300	3.8
211.14809	8.7
212.14368	2.2
218.11789	4.7
219.12268	2.0
220.13342	15.3
221.15369	100.0
223.14691	3.1
223.18648	2.0
226.15915	2.0
228.17505	13.0
229.14354	5.8
232.13297	5.8
234.14865	7.0
245.09816	1.9
247.16934	1.9
254.19102	17.2
265.19415	2.1
267.15912	5.7
269.19019	1.9
272.16391	13.6
282.22247	2.7
287.20041	11.7
298.18024	9.8
299.20081	7.3
326.21240	8.3
365.24866	7.3
370.27542	3.1
382.26950	2.8
391.26202	5.5
393.27817	9.9
397.13889	2.3
406.27316	2.9
421.25714	7.2
426.26315	13.4
444.32761	4.1
446.17087	2.8
462.33676	36.5
488.31601	6.0
506.32626	91.7
507.33246	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	506.327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40672	2.0
53.03928	5.0
55.01876	2.1
55.05516	13.5
57.07068	6.8
60.33872	1.8
65.03957	4.5
66.67017	2.0
67.05513	24.6
68.05023	8.7
68.45605	2.1
69.03426	6.5
69.07081	10.2
70.06598	100.0
71.04984	2.6
71.55396	3.4
79.05498	27.6
80.05030	5.2
81.07063	37.2
82.06567	7.1
83.04977	8.5
83.08611	5.9
83.24148	2.0
83.56945	2.6
84.08141	13.7
85.06538	4.8
87.04475	2.9
87.53137	2.3
91.05487	40.9
93.07050	41.9
94.06596	2.6
94.21704	2.1
95.04959	9.8
95.08607	20.3
96.08128	16.1
97.06528	3.6
98.06065	8.3
100.07627	43.8
103.05467	4.1
105.07041	90.7
106.06554	6.0
106.55840	2.1
107.08596	31.9
108.08114	10.9
108.08821	2.6
109.06509	15.2
109.10156	16.9
110.09665	3.2
111.08112	3.1
114.05540	10.2
115.05442	4.3
116.07050	2.5
117.07030	15.9
119.08594	49.6
120.08133	12.6
121.06517	2.5
121.10150	22.0
122.09625	3.3
123.08073	9.1
125.05967	3.1
125.09612	3.6
128.06229	10.0
128.07083	83.9
129.06999	19.7
130.07794	9.3
131.08575	29.1
132.08107	5.9
133.09056	3.0
133.10136	26.7
134.09663	11.5
135.04442	3.6
135.08080	7.3
135.11713	8.4
136.11200	8.0
136.12149	2.5
137.09630	7.2
141.06976	10.6
142.07761	25.3
142.08650	3.0
143.08572	42.2
144.09372	8.0
145.06509	2.5
145.10126	54.3
146.09679	7.2
147.08060	5.0
147.10683	2.6
147.11674	13.9
148.11227	21.2
149.09595	6.0
149.13266	3.0
150.12827	2.8
151.07545	2.7
152.07166	2.8
153.07050	4.5
154.08672	34.0
155.08572	15.2
156.09387	13.7
157.08943	4.4
157.10152	50.6
158.09711	3.6
159.08162	2.8
159.11700	18.7
160.11227	26.8
161.09625	3.8
161.13283	5.1
162.12750	11.1
163.03902	20.1
163.11194	8.1
164.04219	12.0
164.07088	3.2
165.06964	4.3
165.09151	19.4
167.08562	7.5
168.08057	2.2
168.09142	3.5
168.10321	7.0
169.10158	19.4
170.10966	6.3
171.11691	18.9
172.11229	6.9
173.09579	2.4
173.13290	9.5
174.12776	6.2
175.11209	3.4
175.14847	4.9
178.08652	6.5
179.08582	6.5
180.09230	2.8
181.04945	3.9
181.10168	10.2
181.12213	3.7
182.05487	2.5
182.10925	4.1
183.11717	26.1
184.11108	3.0
185.13278	15.3
186.12737	5.9
187.11208	3.2
187.14853	4.4
188.14322	2.7
189.12697	2.9
193.10178	8.2
194.11853	47.3
195.11729	10.8
196.12466	3.3
197.13315	12.5
199.14821	4.2
203.14354	11.3
206.11046	3.3
207.11725	7.9
207.13654	2.8
208.12587	3.0
209.13318	11.8
211.14801	9.8
217.15782	3.0
218.11732	4.0
219.12041	3.4
220.13397	13.8
221.13358	5.1
221.15367	39.5
223.14799	5.6
224.14395	2.4
226.15921	6.3
228.17450	6.4
230.11720	3.5
232.13298	5.3
233.13373	3.5
235.14790	5.4
237.16452	3.4
238.15984	3.8
249.16403	3.0
254.19055	8.2
258.15097	2.5
263.18018	2.9
270.14896	4.2
271.15421	2.7
272.16403	9.1
284.16339	3.5
287.20096	4.9
298.18106	8.2
365.24637	3.1
370.27478	6.6
391.26059	3.2
393.28314	3.3
396.25247	3.9
413.12289	2.3
414.26401	19.3
426.26398	3.1
442.28021	2.0
444.32458	5.8
462.33658	48.3
488.31680	4.2
498.25171	2.3
506.32635	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	506.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
53.56956	0.8
56.28087	0.7
61.02921	1.0
67.05495	0.7
69.03431	2.0
70.01975	3.3
70.06599	4.3
71.64267	0.8
72.08160	2.5
73.06558	0.9
76.62325	0.7
78.55166	0.6
81.03432	1.9
81.45853	0.7
84.08125	1.7
85.02912	6.7
86.86271	0.8
87.04475	3.1
89.06038	100.0
91.05480	2.2
93.91506	0.9
97.02898	2.6
98.21448	0.9
99.04488	0.7
107.04935	0.8
107.07072	1.1
109.02875	1.3
112.07683	0.6
118.06585	1.0
119.04939	1.1
119.07324	3.7
120.08071	0.9
121.06515	0.6
124.03906	0.8
127.03960	1.4
128.07133	1.1
130.05144	0.7
131.07048	1.0
131.80530	0.8
133.08614	61.0
134.06071	1.1
135.06795	1.0
136.07559	1.8
137.05965	0.9
145.05020	0.9
146.06053	1.3
147.04402	4.7
147.46440	0.7
165.05621	0.8
175.07617	0.9
177.11246	19.2
195.12299	0.9
221.13860	5.0
239.14923	3.5
240.10175	1.2
249.07713	1.1
269.12952	2.2
283.17508	4.2
298.10767	0.9
309.19110	1.1
315.13406	4.8
327.20151	79.5
328.20627	1.1
338.11234	0.7
374.15955	0.7
506.17041	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	506.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22001	0.3
53.03943	0.4
57.03451	0.5
60.04784	0.3
61.02926	1.0
65.03931	0.6
69.03433	1.5
70.06604	0.8
70.34157	1.1
72.08165	0.5
73.02943	0.3
81.03432	0.9
85.02914	10.7
86.06055	0.3
91.03931	0.6
91.05492	5.8
97.02899	3.5
103.11710	0.3
109.02872	0.8
119.04953	17.7
123.04443	1.3
127.03939	2.6
134.06142	0.3
145.02844	0.7
145.04993	3.3
147.04419	100.0
148.04744	0.9
150.09154	0.3
153.88245	0.4
163.03906	0.3
163.05956	1.4
164.07076	1.0
165.05487	44.8
177.05472	1.5
180.08667	1.4
182.08157	0.4
230.67757	0.4
309.09598	0.9
344.13361	1.1
488.19229	0.4
489.84940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03750	0.9
53.03938	2.0
55.01877	0.9
55.05511	15.4
57.03441	9.2
57.07067	2.5
59.04996	4.3
65.03933	3.4
67.05506	100.0
69.07078	7.0
70.02927	4.2
71.04986	3.3
71.60787	0.8
72.42973	0.9
79.05494	26.6
81.03423	1.5
81.07059	34.9
83.08626	8.6
85.06545	3.0
91.05485	33.8
93.07046	30.8
95.04959	4.0
95.08611	17.4
97.06537	1.7
97.10177	1.8
99.08080	1.4
105.07037	30.5
107.08595	19.1
109.10159	68.0
111.08091	3.8
112.09724	0.9
115.05414	1.1
117.07033	10.3
119.08582	35.5
121.10136	11.9
123.11715	1.1
125.09650	3.2
128.06284	1.0
129.07001	5.5
131.08571	10.2
133.10130	22.0
134.94679	1.1
135.08018	1.1
135.11667	9.6
137.09608	3.6
143.08583	4.9
145.10138	11.0
147.11702	23.4
149.13260	6.8
155.10670	4.0
157.10114	5.8
159.11716	9.7
161.13263	22.2
163.14861	2.3
171.11679	7.0
173.11737	22.1
173.13268	6.7
175.11156	1.5
175.14838	8.2
185.13254	6.3
187.14838	2.2
189.11282	2.0
199.14864	3.6
201.16350	1.4
213.16379	1.4
215.17851	1.3
227.12790	6.2
229.14366	48.4
231.21072	4.7
241.19539	20.3
259.20578	46.0
259.23386	1.3
261.22195	2.1
277.21652	2.4
315.23190	3.7
333.24225	22.8
351.25168	1.4
395.29568	1.3
405.56146	1.1
413.30600	2.3
487.34198	9.7
488.37561	2.0
505.35147	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	505.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01844	4.3
55.05517	25.1
57.03421	6.4
57.07055	8.0
59.04973	4.1
61.02908	3.4
62.11110	3.1
67.05508	35.5
69.03426	14.2
69.07074	54.6
70.06596	18.2
70.68561	5.5
70.68898	8.7
71.04981	8.9
71.08621	6.2
72.08154	8.9
73.02895	4.6
79.05479	30.2
81.03405	10.5
81.06590	5.1
81.07061	100.0
82.06598	3.6
83.04984	10.9
83.08613	14.6
85.02911	26.3
85.06533	16.3
86.09673	6.5
91.05482	25.4
93.07047	53.7
95.04958	13.1
95.08611	87.2
97.02879	12.1
97.06517	14.8
97.10143	12.4
99.04466	3.7
99.08069	8.4
105.07034	34.2
107.08598	49.1
109.02885	11.3
109.10170	65.9
111.08092	6.8
111.11724	13.5
117.07061	4.8
118.13458	3.8
119.04926	4.8
119.08589	31.6
120.08100	3.9
121.06460	4.6
121.10136	31.4
122.10481	3.9
123.08091	5.6
123.11706	29.2
125.09624	9.0
127.03921	14.7
127.11160	4.3
131.04900	6.2
131.08568	13.8
133.10146	24.4
135.11694	40.9
136.07584	4.0
137.06006	20.2
137.09624	9.3
137.13281	7.9
139.11177	12.4
139.96510	3.7
145.02811	5.4
145.04903	3.9
145.10121	15.4
147.04398	7.8
147.11703	15.1
149.13252	21.3
151.11163	6.6
151.14732	5.1
153.05461	4.4
153.12769	13.1
159.11673	10.4
159.46396	4.5
161.06023	7.6
161.13242	17.0
163.03769	5.9
163.07550	4.3
163.14778	8.0
165.12793	6.3
167.07065	10.1
171.08118	5.2
173.05814	4.4
173.13316	8.7
175.07402	5.1
175.14803	9.2
177.16426	5.5
187.14859	5.4
189.16414	7.5
191.17924	8.0
201.16357	4.4
211.16905	5.6
215.17963	4.8
220.05475	4.2
238.18826	5.1
257.21167	5.8
271.24207	9.8
289.25195	11.1
290.23969	4.0
295.26257	11.7
307.26392	27.6
323.09238	4.8
325.27454	19.0
337.10620	4.8
355.11737	14.7
469.24530	4.1
505.17813	5.7
516.33569	4.7
526.44000	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	505.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
53.46514	0.4
54.38740	0.4
55.01863	0.5
55.05514	4.2
56.21489	0.4
57.03428	1.9
57.07085	0.7
59.32890	0.4
63.02375	0.7
65.03932	0.7
66.68829	0.4
67.05508	15.5
69.07082	4.2
70.06579	1.2
71.04979	0.8
71.55305	0.6
71.55687	0.6
77.20999	0.5
79.05498	9.6
81.03427	0.5
81.07063	16.7
83.05000	1.0
83.08617	3.7
85.02894	0.6
85.06523	0.8
89.03912	4.7
91.05477	6.3
93.07054	8.8
95.04951	1.3
95.08616	14.5
97.06521	2.2
97.10168	1.6
99.08121	0.8
105.07018	4.7
107.04955	1.8
107.08598	5.1
109.10165	7.3
111.08087	2.1
111.11668	0.6
117.03374	5.8
117.07002	1.4
119.04946	1.1
119.08592	3.9
121.10146	6.4
123.11729	2.2
125.09644	0.6
131.08549	2.1
133.10143	5.1
135.04420	16.3
135.11702	4.0
137.09642	1.8
139.03960	0.6
145.02852	12.7
145.10191	2.6
147.04445	4.8
147.11676	1.8
149.09628	0.6
149.13271	1.4
151.11205	1.5
157.10161	0.6
159.11707	1.6
163.03914	100.0
163.11156	0.7
164.04256	0.8
173.13185	0.8
181.04971	11.5
186.05580	0.7
187.14893	0.9
215.17938	2.9
233.19066	2.7
237.07578	1.5
249.18518	1.4
251.20131	3.1
260.64081	0.4
261.51807	0.5
325.23740	17.4
326.12988	0.6
505.27902	1.7
505.35223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.9
55.05499	40.2
57.03415	13.8
61.02935	13.0
62.84112	7.6
63.30575	8.0
67.05492	34.4
69.03414	26.0
69.07067	45.7
71.04985	31.4
71.55196	10.8
72.08145	17.4
73.02932	9.9
79.05503	54.5
80.62816	9.0
81.03403	15.0
81.07063	100.0
83.04967	21.9
83.08607	17.9
84.08087	11.2
85.02897	44.8
85.06492	14.5
86.09705	9.0
87.00816	21.9
88.06990	8.2
91.05486	45.6
93.07038	61.7
95.04977	26.5
95.08609	66.0
97.02881	32.8
97.06543	64.7
99.04457	10.1
105.01865	16.2
105.07021	70.3
107.04921	9.0
107.08617	73.5
109.02866	22.6
109.06490	21.8
109.10178	55.9
111.04477	10.3
111.08063	11.6
113.02341	13.3
117.07064	9.3
119.04903	11.9
119.08598	53.1
120.08082	9.3
121.06522	11.2
121.10143	34.6
123.08086	11.7
123.11700	40.9
125.09628	13.6
127.03914	27.2
127.11175	12.8
129.06966	8.3
131.08540	19.3
133.10135	45.2
135.08046	16.1
135.11700	80.2
137.05957	42.1
137.07596	8.9
143.10672	12.6
145.02818	9.3
145.04953	12.5
145.06511	8.5
145.10135	13.3
147.04391	23.1
147.11697	43.3
149.09671	10.3
149.13281	19.1
151.07629	8.6
153.12756	19.2
157.06435	10.3
159.11714	11.0
161.13268	22.0
163.03969	12.0
165.09070	13.9
167.07095	15.0
171.11659	9.7
173.05927	9.8
175.14813	11.5
177.05455	16.6
185.09645	9.3
187.04085	9.2
187.14868	15.5
189.12709	9.4
191.14296	17.2
201.05267	10.5
203.17966	49.4
209.15527	10.0
213.03616	11.7
215.18375	15.6
221.18953	46.8
505.11050	19.3
505.17685	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	504.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
58.33284	1.6
59.04708	2.2
59.05003	45.5
67.05492	1.8
69.03414	4.7
69.07081	1.9
70.06599	18.4
70.44250	1.4
70.44592	5.1
71.04982	1.6
72.08156	19.4
73.02898	2.0
73.06564	2.6
74.06066	2.2
79.05475	3.1
81.03442	2.4
81.07047	4.3
83.04980	1.4
84.04481	1.7
84.08148	3.6
85.02901	5.3
85.06561	2.2
86.09708	4.8
87.04471	22.5
88.04003	1.5
89.06036	100.0
91.05434	1.7
92.06556	1.3
93.07043	2.6
94.04169	1.5
95.04967	2.1
95.08607	2.9
97.02895	24.3
99.04478	1.4
103.03947	25.5
103.07581	3.3
105.07047	2.8
107.07053	3.3
109.02905	2.6
109.10175	2.0
110.07184	2.1
114.05495	1.8
115.45735	1.7
116.07082	2.3
117.05499	28.3
119.08582	2.4
120.08121	3.3
121.08610	1.6
122.03613	2.0
124.03981	2.5
124.07573	1.8
127.03909	3.3
128.07059	2.1
129.10269	1.8
129.48260	1.4
130.08678	3.0
131.04939	2.3
131.07043	7.0
133.08609	71.9
133.10091	2.5
135.04529	1.6
135.10100	1.5
137.05965	20.2
138.06323	6.7
143.07014	1.5
145.10059	2.0
146.09979	1.3
147.04333	2.0
149.02248	1.7
149.06029	2.3
161.08073	5.1
162.05479	4.3
163.03859	2.3
175.07532	6.3
175.09607	3.9
176.07898	2.8
177.11232	26.5
178.04912	2.3
191.09062	1.7
197.09598	1.5
200.48137	1.6
205.10887	1.8
211.11108	2.9
219.07977	2.3
219.12186	1.7
220.06052	4.8
220.08524	1.6
221.13887	4.9
252.11121	2.7
256.06970	1.6
275.53601	1.4
280.10556	2.3
283.17630	2.7
292.10480	1.8
312.13132	5.2
324.13025	3.0
327.20218	3.6
332.63739	1.5
355.19955	2.7
371.22726	7.7
378.13538	1.6
410.86395	1.7
446.17081	1.9
487.27368	5.8
504.13226	2.4
505.22183	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54617	1.0
53.03942	2.1
55.01865	2.9
55.05500	3.9
57.03420	2.8
57.07077	1.1
57.61201	0.8
61.02929	2.8
67.05515	7.5
67.18631	0.9
68.94874	0.9
68.99798	0.9
69.03429	11.5
69.07079	5.7
70.06596	2.2
70.61708	2.5
70.62052	0.9
71.04989	1.6
72.08137	1.1
73.02910	3.3
73.82480	0.8
79.05495	6.1
81.03432	9.4
81.07063	25.6
81.58190	1.2
83.04949	1.4
83.08623	2.0
85.02912	23.9
87.00832	11.7
91.05489	9.9
93.07061	12.6
95.04977	2.1
95.08613	27.4
97.02897	13.4
97.06531	1.5
99.04452	4.1
99.07998	1.0
103.53154	0.9
105.01875	15.2
105.07034	25.7
107.08614	15.7
109.02875	8.3
109.06556	1.1
109.10168	13.0
111.04444	1.8
117.01859	1.8
117.03342	2.0
119.08582	22.0
120.08918	1.1
121.10177	8.9
123.11725	5.5
127.03925	19.3
129.01884	1.6
131.08534	4.1
133.10138	15.9
135.08012	1.1
135.11720	4.5
137.05966	2.1
137.13361	0.9
143.08511	2.1
145.02840	3.6
145.04973	6.7
145.10127	3.2
147.02896	1.0
147.11697	60.8
149.13263	11.2
155.77423	1.0
157.10194	1.5
157.14642	1.0
159.02881	3.7
159.11684	3.2
161.13269	6.9
165.12796	1.1
173.00668	0.9
173.13274	1.3
175.14799	1.5
177.05466	6.3
187.14886	1.4
189.04060	1.1
195.11821	1.1
201.16354	1.4
203.17969	100.0
205.19502	5.1
205.48778	1.1
221.19009	16.0
231.05037	6.2
239.20088	2.4
249.06079	2.7
250.39702	1.0
303.10690	1.3
311.20258	1.0
386.33521	1.0
504.25104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66576	1.4
53.03952	3.7
54.78286	1.4
55.01880	3.0
55.05523	7.2
57.03440	3.0
57.07078	2.5
58.91664	1.5
60.81541	1.3
61.02930	1.8
65.03963	1.6
67.05511	14.9
69.03442	11.7
69.07069	9.3
70.06606	6.9
71.05003	2.4
72.08173	1.9
72.45722	1.4
73.02914	4.2
79.05504	9.9
81.03423	12.4
81.07069	25.4
82.11050	1.6
83.04962	2.6
83.08629	3.4
85.02913	31.5
85.06544	2.7
86.09743	1.5
87.00848	13.3
91.05482	19.5
93.07059	29.6
95.04972	3.2
95.07690	1.5
95.08617	35.9
97.02914	18.8
97.06538	6.0
97.10164	3.1
99.04457	6.0
105.01881	13.7
105.07045	38.6
107.08600	21.6
109.02908	10.1
109.10185	25.8
111.08101	5.5
117.07030	2.0
119.08598	29.2
121.10168	14.3
123.04463	1.3
123.08118	2.0
123.11715	10.8
125.09619	1.8
127.03925	22.7
129.01878	2.0
131.08580	1.6
133.10156	23.5
134.03223	1.4
135.11667	7.3
137.06024	1.4
137.09657	2.7
137.13300	1.9
145.04965	11.1
145.10133	2.7
147.11703	61.4
149.13307	1.7
150.09134	6.1
159.02892	7.4
159.11681	1.8
161.13228	13.2
163.14806	2.9
165.12842	2.7
173.13196	1.5
175.14749	3.5
203.17979	100.0
204.18428	2.6
221.18999	13.0
223.09529	1.8
224.16891	1.4
231.05066	5.1
249.06133	2.5
504.30066	1.8
505.27979	2.5
527.55994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20325	2.9
53.03944	7.4
55.01876	5.9
55.05519	32.0
57.03436	6.7
57.07063	6.6
58.51842	2.9
59.05009	6.4
59.84530	2.8
61.02927	9.1
65.03953	3.5
67.05512	29.7
69.03432	32.2
69.07070	100.0
70.06587	13.7
71.04983	12.6
71.55120	5.2
71.58881	2.8
72.04397	3.2
72.08157	14.7
73.02919	8.9
79.05496	26.6
80.05857	3.1
81.03432	27.0
81.07061	63.6
83.04980	8.6
83.08620	12.9
84.08138	5.4
84.88333	3.3
85.02909	59.2
85.06559	10.0
86.09686	4.2
87.00851	3.9
87.04471	6.5
91.05470	40.9
93.07048	53.5
95.04966	13.3
95.08610	40.8
96.08154	3.4
97.02883	32.4
97.06516	16.4
97.10177	7.2
99.04464	8.8
99.08098	6.0
103.17403	3.4
105.07042	59.5
107.04963	17.8
107.08598	35.6
109.02885	14.2
109.06514	11.1
109.10155	32.2
111.04479	3.2
111.08128	7.2
111.11723	23.2
113.06028	4.1
117.07014	6.8
119.04922	3.8
119.08566	36.1
121.06493	5.1
121.10148	54.7
123.04482	4.5
123.08052	6.5
123.11736	23.1
125.09641	6.4
127.03929	24.6
128.06152	3.9
129.07005	4.0
131.04933	3.8
131.08569	20.8
133.10138	90.1
135.08063	7.7
135.11713	15.9
137.05981	19.1
137.09625	6.3
137.13246	9.2
139.11185	19.4
142.07822	4.8
143.08560	4.8
145.02921	5.0
145.04948	4.6
145.06526	2.9
145.10127	25.7
146.10434	3.3
147.04434	5.3
147.08038	3.8
147.11707	16.1
149.09659	11.3
149.13248	15.7
151.03886	3.5
151.11200	7.5
157.10150	9.6
159.11699	23.3
160.12076	6.6
161.05974	4.3
161.09695	5.8
161.13271	9.4
163.03816	3.8
163.11217	6.0
163.14810	5.1
165.08931	3.1
167.07007	7.8
169.10175	3.2
171.11720	3.8
173.05849	3.1
173.13315	7.4
175.07591	6.0
175.11227	13.4
175.14893	7.0
177.05493	10.6
177.12701	4.6
177.16357	4.4
179.10614	4.8
181.05145	4.7
181.08667	4.1
185.13354	6.2
187.14789	5.0
191.08659	4.1
191.14363	5.3
193.12285	3.6
195.06525	3.3
201.16350	6.8
205.12187	4.5
209.15546	3.7
213.16333	3.6
219.17390	6.7
237.14888	10.7
237.18570	5.0
250.06340	4.7
251.10669	3.2
255.15981	3.6
255.19356	3.5
265.08844	3.4
269.22852	3.7
275.23782	7.6
287.23727	5.0
299.06323	3.4
305.24817	11.3
311.13284	3.6
323.25745	13.7
325.14346	3.6
341.26862	13.9
353.10001	6.1
386.34943	3.4
410.88177	3.5
471.08926	4.0
503.17810	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	504.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
53.48064	0.4
55.01858	2.0
55.31844	0.5
57.03432	1.6
58.88048	0.4
61.02916	0.9
63.84583	0.4
65.03919	0.5
68.65588	0.4
68.99807	1.2
69.03430	6.5
69.73895	2.6
70.06590	1.3
71.04992	1.2
73.02898	1.8
79.05490	0.5
81.03422	7.7
81.07040	1.1
82.07277	0.4
85.02905	15.8
86.09724	0.4
87.00833	7.4
91.05480	10.7
95.08574	0.5
95.68053	0.5
97.02898	14.5
98.20843	0.9
99.04453	3.1
103.05431	0.6
105.01857	4.5
105.07016	1.3
106.02928	0.8
107.08595	0.7
108.04469	2.2
109.02885	7.0
113.64344	0.5
116.07118	0.5
117.01863	0.8
119.04948	20.3
120.08099	0.5
124.03975	1.4
126.05527	1.3
127.03922	11.2
129.01843	0.6
132.02054	0.9
133.02827	0.6
133.06523	0.7
145.04977	4.8
145.74689	0.5
147.03165	0.9
147.04413	15.9
149.02367	1.0
157.03975	2.4
159.02882	3.9
161.05943	1.6
164.04747	0.6
175.03915	35.1
176.04440	0.5
179.07060	2.3
190.05261	0.6
192.04205	2.8
193.08626	1.8
197.08125	0.8
207.06535	100.0
208.06885	1.4
220.06096	1.3
221.08051	2.1
231.04973	1.7
239.09172	13.7
240.09595	0.5
245.08134	1.2
248.07709	1.2
249.07617	3.2
269.08246	0.6
273.07666	1.6
287.09152	0.6
297.07617	0.8
305.10202	0.5
315.08780	2.3
329.10187	0.6
347.11172	0.7
486.12305	0.6
500.71387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57672	1.8
53.03943	2.7
55.01872	3.0
57.03439	2.7
61.02914	6.0
67.53649	1.8
69.03436	13.9
69.88117	5.2
69.88534	4.4
70.06590	4.6
71.04971	1.8
71.30617	1.8
72.08165	2.5
73.02913	2.2
81.03414	5.1
84.08159	2.1
85.02914	45.6
86.06065	6.1
86.09708	4.6
87.04453	4.2
91.03933	2.8
97.02901	31.8
99.04485	2.2
104.56898	1.7
109.02884	6.4
110.95696	1.9
116.07142	2.9
119.04961	4.1
121.02849	3.7
123.04430	9.5
123.05538	1.9
127.03916	7.9
131.04973	2.1
133.06497	16.5
135.04367	2.5
136.06184	4.2
139.03868	2.5
139.11769	1.7
145.04967	11.7
145.06467	4.3
147.04424	19.5
157.06458	3.4
159.04402	2.4
161.05984	47.6
166.08659	4.2
173.05971	9.9
177.05495	3.9
180.08713	2.5
181.06477	3.9
185.05951	8.7
187.03932	3.6
189.05481	98.5
191.03400	19.2
197.05977	5.2
199.03931	2.4
199.07585	9.5
200.09282	3.6
201.05472	34.5
212.09230	7.2
213.05492	5.2
215.07025	6.8
218.10248	3.0
226.10782	5.3
227.06973	6.1
229.04941	4.2
243.06592	9.9
256.83051	2.5
261.07489	9.8
265.07129	7.2
279.08646	12.5
289.07007	2.3
301.31680	1.8
307.08124	100.0
308.08594	2.2
325.09085	6.5
367.60309	1.8
486.18842	2.2
504.21024	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	503.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
53.38103	1.8
55.01865	6.8
55.05514	10.9
57.03436	10.1
57.07066	4.8
65.03931	2.1
67.05507	29.6
68.06963	2.3
69.03442	2.4
69.07066	19.0
69.45083	16.8
71.04987	2.6
71.08633	10.9
75.04499	2.6
79.05499	19.6
81.03409	2.7
81.07059	37.2
83.04977	3.0
83.08614	6.2
85.06532	3.4
91.05444	18.4
93.07050	26.7
95.04968	17.7
95.08606	29.0
97.06542	8.3
97.10194	3.5
97.66930	1.9
98.20785	4.1
98.98472	46.1
99.08112	10.7
105.07025	22.5
107.08598	18.6
109.06519	29.0
109.10165	14.5
111.08100	2.3
113.00023	100.0
117.07005	6.2
119.08586	19.3
121.06505	13.0
121.10160	11.6
123.08086	20.1
123.11684	3.6
131.08592	10.9
133.10132	18.4
135.08032	14.0
135.11722	5.5
137.09668	3.5
143.08592	2.7
145.10107	15.2
147.11697	8.7
149.09639	5.0
149.13275	6.0
151.11266	4.0
157.10083	3.9
159.11728	7.2
161.09592	3.9
161.13284	6.7
162.72108	2.0
163.11162	5.7
165.12773	58.0
167.05560	2.7
171.11734	4.4
173.02150	6.7
173.13336	4.5
175.14836	5.8
177.12752	6.3
179.14334	30.3
185.13310	3.3
187.03691	14.2
189.12794	3.2
191.14307	12.7
201.12776	3.1
205.15900	3.2
206.31557	2.1
219.17441	3.0
245.18889	2.2
257.19211	3.1
263.19968	3.7
275.20013	12.5
289.21548	2.8
289.25192	3.1
291.19339	2.1
299.06039	2.8
303.27057	5.7
317.24731	39.8
331.26352	58.7
335.25803	10.7
335.65451	2.4
347.25748	10.1
349.27408	8.4
355.26056	2.9
361.27350	3.3
373.27350	16.6
387.28714	2.9
391.28391	79.5
405.30069	33.9
485.26672	2.4
503.27518	14.8
503.32074	2.9
503.34262	4.2
515.37726	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	503.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.1
55.05512	20.5
57.03428	7.4
57.07071	8.3
67.05512	42.0
68.33289	2.8
69.07068	17.3
69.87370	12.4
70.06590	3.2
71.08618	11.1
72.08145	4.3
79.05491	19.0
81.07066	39.9
83.04965	4.1
83.08625	7.4
91.05470	16.5
93.07047	21.5
95.04953	5.3
95.08617	26.4
97.06533	9.5
97.10174	3.9
98.21540	5.0
98.98470	80.4
99.08072	4.8
99.47507	3.5
102.40894	2.8
105.07035	25.5
107.08586	21.0
109.06512	23.0
109.10165	19.7
113.00024	18.3
117.07050	5.0
119.08575	19.5
121.06509	5.5
121.10154	11.8
123.08085	33.5
131.08559	8.0
133.10136	13.3
135.08076	27.1
135.11676	7.1
137.09595	6.2
143.08511	5.1
145.10156	19.9
147.11702	7.7
149.09642	7.0
149.13254	5.9
157.10095	4.4
159.11699	10.0
161.13348	4.0
163.11147	5.7
165.12773	12.5
167.05559	5.3
173.02109	8.8
173.11769	4.8
175.14810	6.6
177.12788	10.1
179.14320	52.0
187.03702	5.7
191.14355	6.6
205.15895	11.2
226.53668	3.4
257.18982	4.2
275.20053	11.7
289.21576	5.7
299.06076	5.3
303.26712	7.6
317.24738	10.2
331.26321	100.0
347.25726	4.5
349.27368	16.0
373.27643	3.2
387.28979	3.9
391.28464	12.5
405.30121	53.8
485.26392	5.8
485.32861	3.1
503.27716	27.2
503.33725	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	503.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01879	1.8
55.05513	37.0
57.03428	3.3
57.07079	2.6
65.03923	1.5
67.05509	8.4
69.03431	9.9
69.07072	8.7
70.06585	4.8
71.04993	10.9
71.55820	1.7
72.08137	1.2
73.02936	1.5
77.91508	1.3
79.05480	6.2
81.03426	12.2
81.07052	16.8
83.04984	65.0
83.08605	2.5
85.02906	15.0
85.06531	1.4
87.00820	5.5
91.05482	7.0
93.07049	21.7
95.04964	5.5
95.08605	15.2
97.02886	9.3
97.06531	6.1
97.10177	1.8
99.04456	2.8
99.08102	5.7
102.10127	1.4
105.01854	4.1
105.07027	16.3
107.08595	14.3
109.02879	5.5
109.06532	7.8
109.10152	24.0
111.04361	1.1
111.08092	5.5
111.77180	1.4
115.05510	1.3
117.06974	2.0
119.08599	12.6
121.06471	2.4
121.10146	77.7
123.08060	6.5
123.11719	8.0
125.09624	2.9
127.03913	9.6
127.11192	4.7
131.08563	4.3
133.06564	1.3
133.10156	13.1
135.08070	2.3
135.11668	8.5
137.05983	3.5
137.09622	5.6
139.11172	10.2
145.04884	2.9
145.10150	10.3
147.04402	1.7
147.09473	1.2
147.11673	11.8
149.09618	4.6
149.13272	9.8
151.11191	19.7
153.05463	2.0
153.12753	1.7
157.10155	1.8
159.02979	2.2
159.11713	16.8
161.13277	3.8
163.11174	5.5
165.12772	3.6
173.13298	1.7
177.12737	5.9
178.31064	1.3
191.17979	4.4
201.16385	14.5
209.15331	1.7
219.17456	38.0
237.18501	100.0
255.19606	1.8
304.00153	1.2
323.25565	1.4
391.93430	1.4
431.20667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
55.01855	1.5
55.05511	5.2
57.03424	3.3
59.04998	1.4
61.02927	2.2
61.30815	1.2
67.05490	6.1
69.03429	17.8
69.07055	3.1
70.06596	7.9
71.04987	6.0
72.08148	4.6
73.02908	4.0
79.05483	3.7
81.03416	19.6
81.07059	6.3
83.04977	9.8
85.02910	65.9
86.09706	3.6
89.06028	1.3
91.03951	1.5
91.05449	6.2
93.07059	7.9
95.04992	3.9
95.08601	4.5
97.02893	30.7
97.06556	2.2
99.04459	42.3
103.03943	59.9
105.07036	7.1
107.08596	44.7
109.02881	26.5
109.06507	4.1
109.10159	7.9
114.05538	2.4
117.06992	1.7
119.08580	5.0
121.06542	1.6
121.10127	2.9
123.11676	1.9
127.03920	100.0
131.04941	2.0
131.08549	2.1
133.10141	24.6
135.11690	12.2
137.05949	3.9
137.09613	3.2
144.44446	1.3
145.04962	46.0
145.10095	1.8
147.04376	1.3
149.06062	1.4
151.11168	3.7
161.05898	1.5
161.09622	7.5
161.13315	2.4
163.06026	25.0
167.05638	1.8
172.49637	1.4
179.10683	14.9
187.06029	6.8
191.14296	1.9
197.11729	99.8
205.07062	6.0
227.09218	5.7
245.10210	4.7
253.07060	5.5
254.07367	1.4
255.06427	13.3
271.08041	7.4
287.23434	1.6
289.09225	3.8
307.10272	4.9
323.26071	1.6
377.01703	1.8
384.89835	1.3
403.95123	1.3
467.19058	4.7
503.12335	1.5
503.20514	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2491
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03941	1.7
55.01885	4.5
55.05505	3.5
57.03442	12.6
57.07075	1.0
59.05010	1.7
61.02930	14.2
67.05515	4.8
69.03436	18.5
69.07069	10.8
70.06588	2.8
70.27901	2.2
70.28265	2.0
71.01347	4.3
71.04999	1.8
72.08157	3.0
73.02923	100.0
79.05498	5.0
81.03426	5.4
81.07066	8.7
83.04965	2.1
83.08611	3.4
85.02910	40.5
85.06534	1.4
87.00817	1.4
87.04465	3.3
91.05475	5.2
93.07051	7.7
95.04962	9.9
95.08620	10.0
97.02898	24.2
97.06546	5.8
99.04463	3.2
99.08108	1.4
103.03943	1.7
105.07036	7.5
107.04922	2.0
107.08604	10.5
109.02882	3.9
109.06534	7.7
109.10162	5.3
111.04420	1.3
113.05994	1.2
115.03936	26.5
117.07018	1.6
119.08569	7.5
121.06496	4.4
121.10158	5.5
122.07267	5.1
123.04426	4.1
123.08082	24.5
123.11710	3.1
125.09576	1.1
127.03933	9.8
131.08524	2.6
133.04984	17.7
133.06438	1.1
133.10138	9.1
135.08058	31.0
135.11714	6.6
137.05988	7.6
137.09637	2.8
139.07507	1.0
141.05484	0.9
145.04967	14.0
145.10144	2.9
147.04407	2.4
147.08102	0.9
147.11684	3.7
149.09659	2.7
149.13298	3.2
151.03864	1.3
151.11121	0.9
153.05476	1.9
157.10135	1.8
158.52896	0.9
159.06622	1.4
159.11717	1.7
161.09654	2.1
161.13185	1.5
163.06021	2.4
163.14836	1.2
165.09142	1.0
165.12762	25.8
171.06468	1.5
173.13252	2.0
175.07526	1.5
175.14792	6.4
176.11951	3.2
177.12849	1.4
185.06023	1.1
187.04097	0.9
187.07600	1.3
189.07495	1.8
191.14317	93.0
192.14748	1.3
193.15909	17.0
201.16484	1.0
202.16684	1.0
207.13843	3.2
209.15359	19.4
213.05530	1.7
213.09064	1.1
219.17488	1.6
237.18596	2.1
241.07114	1.3
255.06671	1.4
259.07935	1.4
277.08899	1.3
297.17059	1.7
323.18613	1.4
325.14383	1.1
341.19650	3.9
343.15079	1.2
353.13739	2.6
353.19482	1.8
371.15311	1.3
371.20715	5.5
503.17896	1.5
503.24811	45.3
504.25299	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01866	2.8
55.05506	3.4
57.03435	2.1
58.89301	1.0
59.04999	1.2
61.02919	2.7
65.03927	1.3
67.05498	3.6
69.03431	10.8
69.07061	4.3
70.06597	5.7
71.04978	1.8
71.55766	1.4
72.08143	3.8
73.02915	1.9
79.05513	5.7
81.03415	5.8
81.07062	8.5
83.04976	2.9
83.08618	1.0
84.08137	2.0
85.02426	1.6
85.02910	19.2
85.06531	2.1
91.05481	8.9
93.07069	6.1
94.04185	3.0
95.04960	2.0
95.08596	5.6
97.02896	8.8
97.06509	2.1
97.10155	1.1
97.24153	1.1
99.04458	2.3
99.08082	1.6
103.05499	5.1
105.07024	6.9
107.04952	3.2
107.08603	9.6
109.02905	4.9
109.06516	3.4
109.10167	4.1
111.08088	1.5
115.05470	2.6
117.07047	2.1
119.08562	6.1
120.08147	1.2
121.06504	1.7
121.10143	4.1
122.03669	8.3
123.04477	1.4
123.11707	1.5
125.09583	1.2
127.03928	6.1
128.06242	2.5
129.06947	1.9
131.04930	10.0
131.08554	2.9
132.05710	3.1
133.06511	3.3
133.10138	7.9
135.04376	1.5
135.11676	3.0
137.05983	100.0
137.09596	2.4
141.07001	1.6
143.04813	1.4
145.02850	1.0
145.04994	3.1
145.06497	1.0
145.10088	2.9
146.03654	2.0
147.04384	1.9
147.08011	2.8
147.11694	2.4
149.05949	2.5
149.09647	2.2
149.13309	1.7
151.03943	1.0
151.11169	1.0
153.05528	0.9
155.04858	1.1
157.06482	1.2
157.10114	1.4
159.08054	2.4
159.11737	2.4
160.05190	1.9
161.05988	9.6
161.09561	1.4
161.13326	1.2
163.06348	1.1
163.07529	6.5
163.11221	1.2
166.08568	2.4
169.06607	1.1
171.07967	1.2
173.13272	1.1
175.07547	34.7
177.05447	1.6
179.07066	1.6
179.08507	1.1
179.10701	2.0
184.05235	2.4
186.60022	1.0
187.07527	6.5
189.07166	1.2
189.09129	1.2
189.16321	1.5
191.08580	4.0
191.14308	2.3
192.09373	1.2
197.11749	12.5
199.07538	16.2
202.07759	3.9
203.08582	8.1
204.09320	1.0
209.09660	1.2
209.15199	1.4
212.09198	4.0
218.07289	1.1
219.08083	9.1
219.17400	1.9
220.08731	2.6
221.09743	1.4
231.08032	10.7
232.08864	2.6
235.11137	1.4
237.18517	4.3
241.32787	1.0
247.07631	3.5
248.08383	4.1
251.10616	6.4
259.07489	7.0
260.08261	2.2
261.09140	2.0
263.10675	4.3
264.07889	1.3
264.31497	1.0
276.07837	2.5
277.08612	3.0
279.10226	6.6
287.23734	1.0
291.10141	12.4
292.10959	5.1
293.08044	1.9
295.13324	1.2
305.24640	2.5
308.10352	1.9
311.12750	15.0
323.12778	19.5
323.25635	1.3
325.14395	1.2
326.66190	1.1
503.20728	2.9
503.31503	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	502.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32837	3.0
51.42757	2.9
55.05518	10.7
57.03439	17.3
57.06833	2.8
57.07085	36.6
59.05000	5.2
67.05513	89.3
69.07063	10.1
69.74072	17.4
71.04987	2.9
71.08646	23.0
71.31200	3.2
81.07056	26.9
83.08617	10.9
85.10181	12.4
89.51707	2.6
93.07058	4.8
95.08618	15.3
97.10177	3.4
98.21527	3.3
101.12575	2.7
109.10170	86.6
119.08579	6.0
137.09637	3.1
155.10626	6.1
162.17010	2.8
167.05669	3.2
173.11732	28.9
187.04242	3.4
200.77010	2.6
222.15053	3.2
229.12083	5.6
229.14371	99.9
299.06155	3.9
313.27365	100.0
400.93774	2.9
421.78345	2.9
467.30756	3.2
467.37354	56.0
527.61908	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02066	0.8
53.03941	1.4
55.01860	1.7
55.05503	1.6
55.93086	0.8
56.05022	1.2
57.03428	1.6
61.02911	1.5
65.03958	0.8
66.04732	0.8
67.05502	2.4
69.03414	3.8
69.07050	2.9
70.06584	5.2
71.04991	1.6
71.55351	1.6
72.08142	2.9
79.05473	5.1
81.03411	2.3
81.07056	6.3
83.04987	0.8
84.04501	1.3
84.08140	1.1
85.02907	9.8
85.06557	1.5
86.09696	3.2
89.06027	0.8
91.05478	5.0
93.07043	3.8
94.04185	3.4
95.04951	2.2
95.08630	3.9
97.02931	4.7
99.04446	1.8
103.05479	1.9
105.07032	8.7
107.04919	2.0
107.08575	2.6
109.02896	2.5
109.06494	3.5
109.10155	4.0
110.07166	0.9
112.83841	0.8
113.35957	0.9
114.05511	1.1
115.03967	0.8
115.05414	3.9
117.06998	2.1
119.04952	1.8
119.08578	5.7
121.06502	1.2
121.10154	3.2
122.03657	6.5
123.08005	1.1
123.11713	1.2
127.03912	3.5
128.06236	2.0
128.07111	1.4
129.07014	1.9
131.04869	1.2
131.08582	1.6
132.05708	2.7
133.06503	5.2
133.10120	2.7
135.08034	0.9
135.11679	1.8
137.05977	100.0
138.06270	1.2
139.11113	0.8
145.04950	1.0
145.06479	1.9
145.10130	1.5
147.04410	3.0
147.08043	3.0
147.11659	1.4
149.05968	2.0
149.09581	1.9
151.03947	0.9
151.07590	1.1
157.10091	1.1
159.08041	3.3
160.05141	1.7
161.05984	14.3
161.13243	1.0
163.07524	1.2
165.12805	1.1
167.05667	1.1
169.92436	0.8
171.08018	1.4
172.05086	1.2
173.13269	1.2
175.07547	29.4
179.06987	1.0
187.07558	9.3
189.07025	1.4
189.08946	1.0
190.07765	1.8
191.08574	5.8
191.14206	1.1
199.07524	7.8
202.07790	2.5
203.08522	4.5
205.06534	1.3
205.10139	0.9
207.13866	1.6
217.08466	1.4
218.07245	2.8
219.08076	10.3
220.08786	2.6
221.09558	1.0
231.08066	5.9
232.08820	1.1
234.06732	1.1
235.07457	1.5
236.08334	1.6
247.07561	5.1
248.08299	3.2
251.10680	13.1
255.06525	16.0
259.07553	3.8
260.08194	1.4
261.09021	1.6
263.07114	1.6
263.10641	3.2
264.07834	1.7
265.08588	1.3
276.07913	2.6
277.08688	1.5
279.10196	9.2
280.10715	1.1
281.07974	1.1
286.08865	1.0
287.16190	1.0
291.10129	9.4
292.10843	3.0
295.13275	0.9
296.10526	0.9
297.09528	0.9
299.06094	1.4
305.24689	1.4
308.10477	0.9
311.12793	21.4
323.09232	1.8
323.12772	14.0
325.12671	1.5
343.13687	2.3
353.12198	2.0
485.11685	1.2
503.06259	1.6
503.13699	5.7
503.22000	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07204	1.1
53.03942	1.6
55.01856	3.6
55.05511	20.1
57.03440	5.5
57.07074	11.6
58.06585	4.8
59.04987	2.5
60.04528	1.5
65.03928	1.7
67.05507	37.9
69.03433	8.2
69.07071	14.3
70.76232	1.2
71.04983	4.0
71.08626	1.3
71.56380	1.9
72.81488	1.1
73.02917	2.8
76.68099	1.1
79.05496	17.6
81.03431	6.6
81.06585	1.4
81.07060	27.3
83.04977	5.9
83.08620	12.1
85.02906	9.3
85.06549	11.5
87.04465	4.6
89.06037	1.4
91.05484	37.0
93.07050	13.5
95.04959	4.5
95.08615	12.2
97.02889	2.3
97.06519	4.1
97.10172	11.1
99.04478	2.1
99.08099	1.2
100.91478	1.1
101.06042	1.3
104.06239	3.0
105.07035	9.2
107.08598	11.7
109.06503	4.6
109.10158	27.1
111.04450	2.3
111.08086	11.0
117.07028	3.8
119.08588	5.3
121.10136	4.8
123.08090	2.6
123.11711	2.3
125.09639	15.7
127.07517	6.3
129.07050	1.8
131.08553	3.9
133.10136	100.0
134.44212	1.1
135.08064	2.8
135.11635	6.6
137.09592	2.3
140.92873	1.2
141.09158	2.0
143.10687	2.1
145.10107	3.6
147.08051	3.7
147.11682	3.6
149.08435	1.4
149.09631	28.1
149.13243	8.8
153.09105	5.5
155.10622	3.6
157.10114	1.3
159.11732	5.4
161.13249	1.2
163.11166	3.5
171.10168	14.8
173.09608	2.4
173.11742	18.0
177.12733	3.4
187.13298	4.4
189.11211	15.8
191.10712	1.8
193.12263	2.2
195.13832	11.4
209.11635	2.7
212.59634	1.4
213.14810	3.1
217.19521	3.0
226.17923	1.2
227.12871	1.8
227.16502	2.3
335.99960	1.2
443.38651	1.6
458.20163	1.2
481.94086	1.2
488.42526	1.2
502.42529	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	502.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
53.48185	2.7
54.88295	2.9
55.01869	6.3
55.05272	3.8
55.05516	64.5
57.03417	8.1
57.07068	5.7
59.05004	6.7
67.05506	100.0
69.03424	8.6
69.07078	18.4
70.81269	5.1
70.81625	6.2
71.04982	9.1
73.02912	3.9
79.05499	36.0
81.03416	10.6
81.07066	59.6
83.04977	11.6
83.08616	38.8
85.02914	24.6
85.06528	5.2
87.04457	10.3
91.05042	3.0
91.05488	30.1
93.07043	32.7
95.04958	8.2
95.08599	21.7
97.06517	8.2
97.10175	58.3
99.08136	5.0
105.07012	13.4
107.04975	6.3
107.08604	22.6
109.06545	3.6
109.10157	58.6
111.08119	7.0
117.06995	8.8
119.08573	14.4
121.06516	3.8
121.10115	7.3
123.11639	3.4
125.09641	59.5
127.07539	3.0
131.08539	8.3
133.10141	44.5
135.08060	3.4
135.11682	12.2
137.09625	4.7
143.10686	9.2
145.10107	9.4
147.08167	3.5
147.11697	4.6
149.09592	7.3
149.13280	16.6
151.11192	3.2
153.12749	6.2
155.10690	16.6
159.11707	12.6
163.11165	15.4
164.49123	3.2
171.10143	8.0
173.09589	6.0
173.11754	51.5
177.12776	9.5
187.13390	6.1
189.11263	5.9
191.10686	4.0
193.08075	3.0
193.12276	5.7
195.13820	41.7
199.13301	4.3
209.11736	16.2
213.14832	5.9
227.12799	9.4
227.16434	3.9
277.97153	3.0
318.86084	3.2
449.72800	3.5
502.34363	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	502.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.9
54.01663	1.4
55.01883	7.5
55.05509	1.8
57.03429	5.6
61.02914	4.9
61.25535	1.3
64.95795	1.4
67.05506	2.7
68.99793	1.7
69.03078	2.2
69.03433	31.0
69.07069	12.1
71.04982	4.8
73.02901	6.5
73.67594	1.3
78.08920	1.5
79.05491	2.1
81.03424	23.4
81.07063	3.7
83.08612	5.4
85.02913	84.6
85.06514	1.5
87.00304	2.1
87.00835	41.2
91.03973	2.6
91.05492	6.6
93.07079	2.9
95.04998	2.1
95.08623	5.2
97.02898	43.4
97.06526	2.2
99.04471	13.5
105.01874	65.2
105.07030	26.0
107.08565	2.8
108.61303	1.3
109.02885	38.7
109.10191	6.8
117.01821	4.4
117.07009	6.4
119.08587	44.6
121.10150	4.2
123.11704	1.4
127.03927	71.4
129.01848	2.3
130.07765	4.2
131.08580	8.7
133.10117	4.3
135.11685	2.7
143.08504	2.7
145.04971	28.9
145.10135	100.0
147.02928	2.1
147.11711	3.3
159.02893	12.4
159.11707	17.3
173.09630	1.9
175.14859	3.9
175.26004	1.4
182.11914	1.4
189.03889	3.0
191.17972	2.2
201.16394	51.8
213.03905	4.6
219.17453	30.9
231.05025	23.8
249.06047	5.1
260.31577	1.5
489.84354	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63477	1.3
58.09907	1.2
66.26727	1.3
70.06597	1.7
70.82028	2.8
72.08134	1.3
84.08184	2.6
94.06558	3.9
116.04749	64.1
116.07104	1.6
119.77088	1.2
136.03477	1.1
160.03696	100.0
167.91716	1.3
220.04530	11.1
238.05318	1.8
321.10199	1.5
335.08636	1.3
365.10403	2.3
502.13931	2.3
527.65277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01873	2.9
55.05494	2.0
57.03424	2.9
57.07076	2.3
59.04987	1.5
67.05495	6.9
69.03431	11.2
69.07040	5.8
70.69067	2.0
70.69376	2.5
71.04977	3.7
71.08630	4.1
73.02914	3.3
79.05479	6.0
81.03417	9.6
81.07067	18.6
85.02908	28.0
87.00831	10.1
91.05456	7.8
93.07040	11.6
95.04986	2.2
95.08582	10.9
97.02908	12.3
97.06506	2.9
99.04442	5.1
105.01884	11.3
105.06387	2.2
105.07039	27.4
107.08604	17.5
109.02883	8.0
109.10146	10.5
115.05428	1.7
117.01835	2.1
117.07020	5.3
119.08606	21.4
121.10133	6.3
123.08085	1.8
123.11729	2.2
127.03936	18.6
128.06239	1.9
129.01863	1.7
129.06987	3.0
130.07797	5.1
131.08574	20.2
133.10123	6.7
135.11682	4.3
143.08533	3.3
144.09282	2.8
145.04926	10.5
145.10135	100.0
147.11671	3.5
157.10127	4.4
159.02933	8.5
159.11702	58.8
161.13277	18.8
163.11209	10.4
163.14842	1.9
173.13246	5.5
177.12701	2.1
191.17863	1.6
199.14848	1.6
201.16391	67.4
213.66318	1.3
217.83073	1.5
219.17453	87.9
231.04959	6.2
235.37546	1.7
467.22308	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	501.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01858	2.7
55.05507	9.1
56.05065	1.8
56.97016	1.7
56.97336	2.3
57.03426	5.7
57.07052	2.1
59.04994	2.0
61.02934	3.3
64.95486	2.0
67.05507	7.9
69.03430	22.0
69.07066	5.3
70.06596	100.0
71.04999	3.7
71.06926	13.2
71.55083	2.3
72.08162	37.5
73.02905	5.0
73.08474	2.1
79.05494	8.7
81.03426	13.6
81.07060	23.0
82.06585	4.4
83.04982	2.9
83.08617	4.3
84.04507	5.1
84.08147	14.4
85.02911	81.3
85.06545	2.5
85.08478	2.9
86.09699	9.7
87.04466	8.1
89.15817	2.8
90.13566	2.1
91.05497	12.9
93.07037	10.5
95.04970	7.9
95.08614	9.1
97.02896	69.1
97.06533	3.1
99.04459	6.1
99.94457	2.0
100.07642	3.0
101.07158	2.3
103.05460	2.2
105.07029	11.6
107.04957	9.7
107.08602	13.7
108.08968	2.5
109.02886	8.3
109.06500	5.5
109.10162	14.6
110.06053	3.6
110.07175	2.5
110.10556	2.3
111.04435	4.9
112.07605	4.0
115.03948	10.1
117.03403	2.2
118.06550	2.1
119.04922	2.5
119.08606	10.3
121.06550	2.2
121.10150	19.9
123.08090	5.8
123.11710	54.3
125.06023	5.0
127.03893	14.7
128.07103	8.6
130.08656	9.2
131.08635	9.1
133.04944	3.0
133.10143	9.0
135.04474	2.6
135.08017	3.6
136.07564	21.0
136.08409	2.4
137.09589	2.7
139.03897	3.3
140.07048	2.5
145.02773	4.2
145.04964	7.3
145.10143	7.7
146.06015	3.3
147.04488	3.2
147.07993	4.3
147.11722	8.2
149.06001	3.2
149.09628	23.3
151.07518	3.2
151.11206	3.5
161.09619	3.0
163.03909	3.3
163.07518	2.7
163.11243	3.3
167.07039	2.3
167.10754	10.4
169.13144	2.2
173.13292	5.2
177.05478	8.7
181.04996	2.9
182.08110	4.4
185.10120	1.9
187.06084	2.4
187.07611	2.5
189.12750	18.3
191.14407	3.3
192.14635	2.9
193.09741	12.4
199.11301	2.1
201.12788	8.0
207.13809	31.6
209.15320	3.4
210.15692	2.5
217.12270	3.1
219.13812	10.9
221.09247	10.6
225.14827	11.6
247.09668	5.9
256.11844	3.6
257.12143	3.4
266.39264	2.4
274.12875	8.0
275.13196	10.6
281.15094	3.2
292.13815	12.4
293.14212	10.3
303.15930	4.4
313.03900	2.4
321.17017	9.7
339.18036	2.8
340.77487	2.0
351.17966	6.2
364.49234	2.4
369.19061	4.7
405.00803	2.2
443.44504	2.3
483.18884	2.3
501.14120	3.0
501.22269	18.4
501.29639	30.2
501.35284	3.4
502.21292	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	501.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16584	0.7
53.03938	1.5
55.01870	2.0
55.05500	1.9
55.89730	0.6
57.03435	0.7
61.02946	0.7
67.05478	2.1
69.03429	5.9
69.07065	1.7
70.06602	4.3
71.04987	1.0
71.22681	1.6
72.08157	4.2
73.02893	0.9
76.49707	0.7
79.05489	2.1
81.03416	5.4
81.07065	5.0
83.04986	1.9
83.08624	1.4
84.08154	6.5
85.02917	7.3
85.06546	1.0
86.09739	1.3
87.00831	2.3
89.03909	0.8
89.90942	0.7
91.05470	3.2
93.07031	3.7
95.04978	1.7
95.08601	3.0
97.02902	5.4
97.06551	2.6
99.04447	2.3
105.01871	1.6
105.07040	4.3
107.04951	3.0
107.08606	3.9
109.02878	5.6
109.06506	1.6
109.10147	2.3
111.04469	0.8
117.03374	1.9
117.07043	0.7
119.04912	0.8
119.08573	2.6
120.08071	1.0
121.02859	2.1
121.06505	2.1
121.10138	2.9
123.08080	1.1
125.02342	0.8
127.03923	6.7
133.10146	2.2
135.11676	1.2
136.07593	1.6
137.05975	1.7
137.09666	1.0
139.03943	0.8
142.28873	0.7
144.10245	0.9
145.02838	3.8
145.04926	1.2
145.07593	2.2
145.10031	1.7
147.04395	2.2
147.11705	1.7
148.11977	0.6
149.09610	1.0
151.03873	0.8
151.11151	0.6
152.07047	0.7
153.05424	1.4
155.10727	0.8
157.10201	0.9
159.02946	1.5
159.11671	1.2
163.03906	2.4
164.04694	0.9
167.03452	0.7
167.07115	1.2
174.03145	1.0
175.11247	1.0
175.14761	0.9
177.01788	1.7
177.05495	6.6
177.16495	0.7
179.03506	0.9
189.03932	0.7
189.05525	0.9
189.12798	0.9
191.03365	3.0
191.04927	0.7
192.04175	2.2
193.04842	1.4
195.02901	1.0
205.01337	17.8
207.02901	0.8
209.04289	1.7
213.00716	0.6
219.02905	0.9
220.03685	14.9
223.02388	15.3
235.17000	1.7
238.04732	10.8
253.07091	100.0
254.07458	1.9
274.82654	0.7
500.32281	1.7
501.18726	2.4
501.32898	1.7
502.13422	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	2.7
57.07077	1.1
58.06606	25.4
60.04529	4.4
64.19249	0.5
67.05512	4.4
69.07073	11.7
69.92364	2.2
71.08645	0.5
72.08150	1.3
79.05492	1.9
81.07063	8.8
82.42107	0.4
83.04993	2.0
83.08629	2.3
89.06036	0.6
91.05469	2.1
93.07059	4.8
95.08614	12.4
97.10170	1.1
98.21484	0.6
100.07634	6.5
105.07043	6.0
107.08601	7.9
109.10162	12.4
111.11741	1.5
117.07019	1.2
119.08593	8.7
121.10165	6.6
123.08104	0.7
123.11720	6.5
126.12807	1.1
128.54958	0.4
129.07037	0.6
131.08589	2.5
133.08611	0.5
133.10152	5.2
135.11717	6.6
137.13274	2.3
143.08589	0.6
145.10146	5.4
147.11693	6.1
149.13312	2.1
157.10175	2.2
158.10931	0.5
159.11707	6.0
161.13269	9.1
162.66881	0.5
163.14857	1.9
165.12772	1.5
171.11731	1.0
173.13269	5.5
175.14873	4.4
177.12762	0.5
177.16422	0.9
179.14301	3.3
185.13303	1.7
187.14835	5.9
189.16423	2.3
191.14395	1.5
191.17996	1.7
199.14880	1.9
201.16406	3.1
203.18015	1.1
205.15993	0.9
208.65622	0.5
211.15021	0.5
213.16426	1.9
215.17964	8.0
227.17883	1.0
229.19495	1.2
233.18861	0.6
241.19536	0.6
255.21185	1.2
257.22842	1.2
269.22705	1.6
308.14514	0.4
325.28900	5.0
343.29880	0.9
349.29041	0.5
405.35217	0.9
423.36102	1.1
441.37253	8.4
500.41025	100.0
501.41675	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	500.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81290	0.6
51.99473	0.5
53.72863	0.5
55.05512	3.1
57.07068	1.6
58.06607	23.0
60.04530	5.1
67.05518	4.2
69.06728	0.9
69.07079	10.7
69.55569	3.7
72.08156	1.4
79.05499	1.8
81.07072	7.0
83.04987	2.9
83.08613	1.4
85.06580	0.7
91.05475	1.8
93.07050	4.1
95.08613	12.2
97.10185	1.4
100.07621	5.3
105.07043	5.1
107.08605	7.5
109.10165	13.0
111.11729	1.7
117.07049	0.6
119.08604	7.5
121.10152	7.2
123.11725	5.6
126.12789	0.7
129.07054	0.6
131.08603	3.3
131.98973	0.6
133.10115	5.3
135.11728	5.6
137.13268	2.2
143.08559	1.0
145.10141	6.0
147.11705	5.9
149.13322	2.0
159.11700	6.1
161.13266	8.7
163.14871	1.7
165.12747	1.5
171.11740	0.7
173.13243	5.3
175.14841	4.1
177.16428	1.0
179.14357	2.5
179.18015	1.0
185.13257	1.4
187.14867	4.8
189.16382	2.6
191.14241	0.9
191.17949	1.8
199.14813	1.0
201.16435	3.1
201.82820	0.6
203.18033	1.0
205.15816	1.2
211.74069	0.7
213.16446	1.7
215.17976	9.1
217.19446	0.7
219.17555	0.6
225.16447	0.6
227.18004	0.7
229.19638	1.6
233.19061	0.7
241.19543	0.7
255.21225	0.7
257.22708	1.0
269.22675	1.1
308.91495	0.6
325.28900	4.2
343.30139	1.4
353.23599	0.6
405.35431	0.7
439.26801	0.8
441.37244	7.4
500.41025	100.0
501.41650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05296	3.3
55.05521	28.7
57.03432	12.5
57.07076	13.0
59.05004	5.1
65.03926	3.8
67.05511	100.0
69.07076	33.9
69.07417	4.7
69.49680	21.6
71.04998	5.6
71.08629	6.3
74.44270	3.1
75.79873	2.6
79.05473	4.7
81.07063	17.9
83.08633	27.3
84.83717	2.6
85.06568	2.8
85.10185	3.9
91.05470	6.6
93.07071	5.8
95.08596	13.2
97.06561	3.4
97.10171	20.8
98.20748	5.7
104.99230	2.6
107.08575	6.4
109.10165	90.7
111.11703	6.2
119.08614	9.5
121.10178	4.9
125.09492	2.9
135.79439	2.7
137.09618	3.5
144.59598	2.6
145.59081	3.2
155.10706	9.2
173.11774	30.7
178.84554	2.6
229.14380	97.3
242.47635	2.6
252.95987	2.9
283.26395	3.6
306.86343	2.8
311.25848	77.9
319.74268	2.6
326.02811	3.1
465.35745	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	500.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31919	1.3
55.01880	19.9
55.05510	3.4
57.07074	1.5
67.05517	9.3
68.05034	1.6
69.07068	8.9
70.02965	3.1
70.06596	9.8
71.05000	23.1
79.05497	9.5
80.05009	2.0
81.07047	6.1
83.04991	1.7
83.08607	1.5
91.05470	4.6
93.07035	6.0
94.06579	2.4
95.04990	1.9
95.08593	3.3
96.08162	7.6
97.06004	1.7
97.06541	18.9
98.09684	11.6
100.07613	4.5
105.06992	2.4
106.06541	3.9
107.08586	3.1
108.08121	4.6
109.10173	2.7
113.00195	1.3
115.80170	1.3
120.08099	2.9
122.06062	13.9
124.07606	36.0
126.05523	2.0
133.10049	1.4
135.08119	1.6
136.07590	70.7
140.05983	1.5
140.07068	26.6
147.11700	1.5
148.07579	3.9
148.11191	3.1
152.07089	1.6
153.07863	2.2
160.11200	1.3
176.14345	4.9
194.15401	6.8
204.13866	15.3
222.14911	100.0
223.15277	1.9
229.14409	2.2
240.15923	3.5
264.34286	1.4
283.26300	1.7
311.25790	1.9
482.36295	56.0
483.36484	2.0
500.46725	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.05509	3.2
57.03470	0.5
57.07072	0.8
67.05508	5.8
68.05033	1.1
69.03427	2.9
69.07065	2.0
69.36252	0.5
70.06597	100.0
70.67667	1.2
71.04998	1.0
78.92850	0.6
79.05479	2.8
80.13720	0.5
81.03436	1.9
81.07055	7.6
82.06591	2.5
83.04977	2.6
83.08617	3.3
84.08150	1.6
85.02902	1.5
85.06549	1.7
87.04504	1.0
89.29975	0.5
91.05506	2.5
92.34679	0.5
93.07050	3.6
94.06579	0.9
95.04965	5.2
95.08630	2.5
97.02912	1.7
97.06552	1.2
97.10159	0.7
98.21423	0.5
99.04475	1.3
100.36150	0.5
105.07032	4.8
107.08594	8.8
109.02881	3.0
109.06539	5.5
109.10165	9.4
110.06059	2.5
110.07133	0.8
111.08083	0.7
112.07617	5.3
119.08596	2.2
121.10139	4.7
123.08098	2.0
123.11722	3.4
125.09628	0.9
127.03916	3.1
128.07092	5.6
130.08653	12.5
131.08539	2.6
133.10132	9.1
135.08054	4.4
135.11728	1.0
137.09709	0.7
140.07039	0.8
143.08600	0.7
145.04951	1.2
145.10135	1.3
146.06044	0.6
147.11668	1.7
148.07561	1.3
149.13306	2.5
151.11232	2.0
153.09152	1.4
154.08725	0.6
158.11021	1.1
163.14952	0.6
165.12776	1.5
166.23622	0.5
167.14259	2.8
172.09743	0.9
172.88667	0.5
173.13281	6.0
184.32750	0.5
187.06079	1.3
191.14322	4.9
209.15410	4.8
214.10863	0.6
220.05794	0.5
232.11832	0.6
238.10828	1.9
256.11829	6.2
274.12866	23.8
287.13907	0.6
292.13925	17.6
293.14536	0.7
315.13474	0.6
355.09467	0.7
482.27640	1.8
500.28571	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01878	8.9
55.05506	2.5
57.03432	1.7
57.07079	7.2
59.04994	1.4
61.02916	1.5
67.05487	5.7
69.03432	9.6
69.07082	9.2
70.02960	6.8
70.06585	8.6
70.66071	4.2
71.04977	5.0
72.04156	1.9
72.04523	22.0
72.08167	2.8
73.02924	12.1
74.02457	1.4
81.02987	1.5
81.03424	19.3
81.07062	1.4
83.04988	10.0
84.08144	2.4
84.54011	1.2
85.02893	11.0
85.06552	6.5
86.09709	4.7
87.08078	3.9
90.05558	41.5
95.04975	7.5
96.08131	3.1
97.02907	11.9
98.02419	19.9
98.09707	1.5
99.04456	7.1
100.03976	6.4
101.06008	3.5
103.07560	4.2
109.02888	31.9
112.07585	2.7
113.05283	1.6
113.06010	6.2
115.03978	2.1
116.03453	17.6
121.06564	1.5
122.06012	1.4
124.07598	25.3
127.03931	13.7
128.07076	4.7
130.08592	2.0
131.07059	2.6
132.06567	10.3
136.06183	5.7
138.05540	1.6
140.07053	1.3
142.08640	19.2
145.04941	6.8
147.04425	2.0
152.07016	2.0
156.10262	2.7
157.04832	1.3
160.09660	5.6
166.08673	3.2
172.09662	4.7
174.11273	7.6
181.05075	1.7
184.09712	31.9
187.05930	1.9
198.07651	3.9
199.06047	6.0
202.10753	100.0
203.11501	2.5
211.09642	9.6
216.08704	5.4
217.07068	5.0
220.11824	29.2
230.10271	12.2
234.09706	12.0
244.11865	4.3
254.87663	1.6
262.12894	17.4
278.44489	1.6
284.11011	1.5
310.12903	10.6
317.12296	3.2
328.13922	72.0
346.14914	15.1
352.16187	2.4
364.16019	38.5
370.17178	2.2
402.45575	1.3
464.20624	1.4
482.22684	2.8
528.99146	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
53.15037	1.6
53.92903	1.6
55.01875	11.2
57.03423	2.5
57.07069	4.3
59.64185	2.0
67.05508	5.6
67.23948	1.6
69.03422	7.2
69.07061	7.2
70.02949	6.8
70.06586	5.3
70.25450	2.8
71.04999	3.2
72.04150	2.3
72.04520	21.1
72.08174	1.9
73.02916	7.6
75.26609	1.8
78.24251	1.6
81.03416	15.8
83.04982	7.6
84.08136	2.0
85.02898	12.2
85.06540	6.3
86.09697	5.9
90.05563	38.5
95.04977	9.8
96.08168	3.2
97.02906	9.1
98.02417	16.4
99.04459	5.7
100.03984	6.4
101.06024	3.2
103.07557	2.0
107.04937	1.6
109.02895	28.4
113.05994	5.7
115.03924	1.7
116.03461	19.8
124.07592	26.0
127.03918	19.1
128.58423	1.5
132.06583	6.4
137.05994	38.2
137.07613	2.2
137.08652	1.6
138.05487	1.9
139.03882	2.2
142.08655	18.8
145.04959	8.1
147.04475	2.0
159.06483	2.0
160.09692	6.4
166.08658	9.0
172.09698	6.0
174.11293	4.7
181.05011	4.3
184.09718	32.4
187.06047	2.5
198.07619	4.8
199.05963	4.1
202.10757	100.0
211.09689	9.6
212.09195	4.5
216.08679	4.1
217.07103	4.6
220.11844	26.7
230.10219	12.8
234.09726	13.1
244.11731	2.9
262.12875	19.6
273.10983	1.6
284.40732	1.8
310.12790	7.6
317.12192	2.9
328.13925	70.6
346.14960	16.8
364.16089	38.4
370.16962	3.2
384.86667	2.0
466.64212	1.8
482.22464	2.3
500.18735	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	499.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	1.8
55.05505	5.2
57.03440	3.5
57.07077	91.8
58.04209	8.0
59.04740	2.5
59.05005	28.1
59.85754	1.7
65.50304	1.7
67.05492	3.1
69.07057	4.4
70.17130	6.6
71.08633	100.0
72.05775	9.4
73.02900	6.4
73.06547	9.2
74.48328	1.7
79.05466	1.8
81.07040	4.8
82.07796	1.8
83.08612	6.1
85.10185	91.6
86.07322	2.1
87.04478	19.5
88.05228	4.0
89.06033	22.1
90.01918	46.5
95.08603	6.1
97.10166	4.8
99.11757	10.1
101.06000	2.2
103.07576	12.3
109.10149	2.6
111.11741	2.0
116.08341	2.4
117.09142	7.1
119.08601	2.0
121.81780	1.7
131.07074	2.1
133.08649	10.2
138.14008	2.2
141.16350	10.5
147.10187	2.5
169.15869	6.6
177.11247	3.2
178.07120	7.7
194.91689	2.1
198.19742	4.4
199.20615	12.3
207.12270	3.7
208.15437	3.4
209.13829	3.5
222.09724	7.9
243.23129	4.3
266.12228	3.5
284.13513	8.6
300.56903	2.0
308.69431	1.9
341.96121	1.9
348.31085	5.7
363.34299	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.1
53.51291	1.9
55.01875	5.4
55.05511	30.2
57.03444	28.3
57.07076	9.8
61.02929	65.3
62.67521	1.8
65.03922	3.3
67.05508	76.9
69.03087	2.0
69.03435	36.6
69.07072	40.7
69.51888	12.2
71.01353	4.8
71.04974	6.4
71.08617	5.8
73.02918	36.8
75.04472	2.2
79.05495	30.5
81.03426	22.2
81.07062	91.0
83.04961	8.1
83.08628	19.5
85.02909	72.4
85.03429	2.5
85.06520	4.4
85.10200	2.5
87.04478	3.3
91.03960	46.0
91.05486	21.6
93.07055	35.6
95.04958	6.4
95.08612	67.1
97.02288	3.2
97.02898	55.3
97.06505	4.2
97.10203	11.1
98.20750	3.6
99.04453	12.3
99.08083	2.4
101.02390	15.2
103.03938	9.7
105.07030	15.4
107.04936	2.4
107.08592	20.2
109.02913	10.6
109.06532	4.3
109.10160	27.4
111.11700	3.9
115.03920	7.3
117.05509	4.0
117.07027	2.1
117.75697	1.9
119.08591	13.4
121.10160	18.0
123.04469	2.1
123.11702	14.3
125.09613	3.9
127.03932	23.4
127.82714	1.8
129.05502	6.6
131.08577	4.5
133.10127	12.4
135.11711	10.7
137.09595	4.0
137.13261	5.6
145.04973	9.6
145.10110	2.5
147.08043	2.4
147.11740	11.4
149.13248	9.3
151.14812	2.5
161.13251	8.0
163.14804	7.7
165.16345	2.9
167.10751	1.9
173.13293	2.3
175.14870	10.6
183.06578	3.8
189.16385	4.3
201.07603	5.5
211.14748	1.9
225.71535	2.0
245.22670	8.7
249.12036	2.4
255.27913	1.9
263.23685	26.2
291.22842	2.4
303.23065	2.3
317.24628	2.0
337.27371	100.0
338.27719	2.2
365.26910	3.6
371.25677	3.1
389.27097	2.2
408.08197	2.4
463.30554	3.8
481.31412	5.6
499.32581	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	499.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05492	1.3
57.03429	0.7
61.02921	1.2
65.03931	3.0
67.05496	1.8
67.26044	0.7
69.03425	2.9
70.06594	11.3
71.04947	0.8
71.06927	0.8
71.55607	1.1
72.08142	2.4
79.05505	1.6
80.16124	0.7
81.03422	2.2
81.07065	2.1
84.08125	2.1
85.02924	4.3
86.09718	0.8
91.05480	1.1
92.05019	3.7
93.07033	1.0
94.06578	0.9
95.04957	1.6
96.08143	3.7
97.02880	2.3
99.04416	0.9
105.07033	1.3
107.08619	0.8
108.08121	0.7
109.02876	1.2
109.06509	1.9
111.48752	0.6
112.07608	1.6
116.07053	1.1
119.04942	0.7
119.08607	1.5
120.04466	0.7
120.08127	0.8
122.06030	1.8
124.07596	5.1
126.09167	11.1
127.03942	0.9
130.08669	0.9
131.08507	1.0
133.10179	0.9
134.06058	1.0
135.08101	0.7
136.07553	0.9
138.05545	1.0
138.09120	3.3
138.68300	0.9
140.07098	0.7
147.04419	2.0
148.03920	1.9
150.05519	1.7
150.09129	1.6
152.03444	0.8
152.07077	26.3
164.03430	1.2
164.07076	1.4
166.05009	50.7
168.06604	0.8
176.03441	9.6
177.05440	0.9
179.75002	0.8
182.04495	9.9
182.08215	0.7
190.95177	0.8
194.04474	6.2
198.07756	1.3
199.08589	1.2
199.12270	1.0
200.10774	2.0
211.08739	1.2
212.09378	2.7
213.10211	1.1
215.08093	1.2
225.10210	3.2
227.08276	1.3
227.11823	4.0
228.10178	2.0
229.13403	0.8
233.09212	2.4
237.10512	1.2
240.08772	3.4
241.06042	0.9
241.09766	1.9
242.10519	0.9
245.09132	0.9
253.09685	4.3
255.11404	4.7
257.09198	3.0
257.12994	1.4
259.07172	2.6
261.12372	2.0
262.17987	1.3
263.18408	2.1
270.09937	1.2
271.10815	9.4
272.09039	1.3
273.12427	2.2
274.13028	1.9
283.10779	43.4
284.10980	0.8
289.11801	5.5
292.14108	1.0
301.08398	1.5
301.11859	33.8
319.12888	100.0
320.13199	2.5
359.00519	0.9
481.18549	1.5
499.20645	2.6
499.27472	5.2
500.28336	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.05518	1.4
55.93535	3.4
65.03952	3.0
67.05497	2.4
69.03434	5.4
69.07058	1.9
70.06593	13.3
70.95876	3.2
71.04958	1.8
71.54202	1.3
72.08160	4.0
72.93790	5.1
72.94226	1.3
79.05492	3.6
81.03421	3.1
81.07042	2.6
84.04505	2.1
84.08139	4.8
84.38634	1.2
85.02904	6.1
86.09727	2.2
90.94820	2.7
91.05494	4.4
92.05023	4.0
93.07052	2.7
94.53955	1.2
95.04408	1.3
95.04978	4.4
96.08124	4.9
97.02890	2.4
97.06535	1.3
98.06078	2.1
105.07042	4.4
106.06563	3.4
106.48330	1.2
107.08611	1.8
108.08118	4.4
109.02922	1.4
109.06535	1.5
110.07191	2.0
112.46054	1.2
119.04918	2.2
119.08588	3.2
120.04459	1.6
122.06054	2.3
123.04417	2.1
124.07590	7.1
126.09175	9.5
127.03922	2.6
128.96407	1.4
132.95854	2.8
134.06056	2.0
136.07607	1.7
137.05971	2.2
138.05457	2.0
138.09113	3.2
140.07094	2.7
143.08537	2.3
147.04414	1.9
148.03899	2.1
150.05559	2.1
150.09169	2.6
152.07068	29.2
155.08582	4.1
156.07715	1.4
156.09358	3.8
157.10100	3.0
166.05013	57.0
168.06599	3.7
168.99509	1.4
170.08109	2.5
171.11668	2.9
176.03392	9.3
180.99489	3.3
182.04492	7.9
192.99503	2.2
194.04495	5.3
195.01070	3.5
196.09897	1.5
198.07776	1.6
199.00569	1.8
199.08740	2.2
200.02911	2.5
200.10843	2.4
207.01041	3.3
208.98933	1.7
211.08682	1.9
212.09467	3.1
213.03607	3.2
215.05168	2.5
217.03275	2.0
217.06798	8.7
224.98416	2.4
225.10216	1.3
227.08179	1.6
227.11844	5.4
229.13370	1.6
233.09218	3.2
235.00710	1.9
240.08987	3.1
241.09750	2.0
243.04788	2.7
245.06319	2.7
245.09114	1.6
249.02209	1.8
253.09737	4.7
255.11334	3.7
256.09763	1.5
257.09332	2.7
257.13062	2.0
259.07089	3.2
261.05740	1.6
261.12170	2.2
270.09903	1.9
271.10806	9.7
273.12402	2.8
275.07257	13.6
283.10791	44.5
289.11844	6.0
293.08344	35.0
294.08701	2.5
301.11844	33.3
302.12195	1.3
307.06360	5.1
316.09988	1.5
319.06638	3.6
319.12900	100.0
320.13208	2.3
337.07300	24.0
337.13681	2.1
361.07419	2.1
379.08420	65.3
380.08899	2.5
391.08337	12.1
415.70364	1.5
481.18076	3.7
499.12820	11.4
499.19360	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	499.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33448	0.6
56.96560	2.5
62.48813	0.7
68.67456	0.7
69.03428	0.9
70.06265	0.8
70.06585	4.9
71.53663	1.1
72.08162	3.7
84.04520	0.8
84.08147	3.4
85.02904	0.8
86.09715	1.4
90.96139	0.7
95.05009	1.0
97.02905	2.2
98.09709	2.4
98.97591	3.2
101.00886	1.0
110.07144	1.8
112.08740	1.2
115.02426	1.1
116.98596	2.1
119.01933	3.1
119.04929	1.2
121.01662	1.1
123.04447	0.7
128.98579	1.1
131.00235	1.3
131.01926	2.4
131.05585	1.8
131.94458	0.8
133.03490	3.3
136.07613	2.1
143.01898	1.9
145.03473	2.2
147.05109	1.2
149.06630	1.7
150.09131	4.6
155.01910	2.5
157.01636	0.9
157.03477	2.0
159.05063	1.5
160.02853	1.1
161.03008	2.1
161.06601	1.4
162.03229	0.8
163.02737	1.3
164.07062	1.2
166.08655	0.9
169.03539	0.9
171.05049	2.3
173.03000	3.0
173.06650	0.9
174.03238	0.8
175.02802	1.1
182.08118	1.2
183.05075	2.5
184.05310	2.0
185.02975	1.6
185.06593	2.1
189.06184	1.0
196.09732	2.3
197.06683	1.0
199.04451	1.1
201.06174	2.4
202.06322	1.6
203.04114	1.7
203.07689	2.0
211.04530	1.2
215.07709	3.8
215.56584	0.8
219.01816	2.4
221.05092	3.9
222.05295	1.0
223.04854	1.2
235.06735	1.1
236.07790	1.2
237.02742	4.9
245.05069	4.0
246.05286	0.9
261.05823	9.3
261.08051	0.9
273.08075	1.9
274.08423	2.0
279.09268	1.0
281.08978	0.8
293.09189	1.0
303.09201	2.3
304.09668	4.0
305.10849	9.6
307.07056	2.0
307.10931	1.4
321.10361	5.8
322.10684	1.7
323.10355	3.7
337.09695	2.6
351.11316	1.2
370.51324	0.9
439.11362	1.8
446.07465	0.9
499.14301	100.0
499.22809	3.1
500.14087	1.6
500.20602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33448	0.6
56.96560	2.5
62.48813	0.7
68.67456	0.7
69.03428	0.9
70.06265	0.8
70.06585	4.9
71.53663	1.1
72.08162	3.7
84.04520	0.8
84.08147	3.4
85.02904	0.8
86.09715	1.4
90.96139	0.7
95.05009	1.0
97.02905	2.2
98.09709	2.4
98.97591	3.2
101.00886	1.0
110.07144	1.8
112.08740	1.2
115.02426	1.1
116.98596	2.1
119.01933	3.1
119.04929	1.2
121.01662	1.1
123.04447	0.7
128.98579	1.1
131.00235	1.3
131.01926	2.4
131.05585	1.8
131.94458	0.8
133.03490	3.3
136.07613	2.1
143.01898	1.9
145.03473	2.2
147.05109	1.2
149.06630	1.7
150.09131	4.6
155.01910	2.5
157.01636	0.9
157.03477	2.0
159.05063	1.5
160.02853	1.1
161.03008	2.1
161.06601	1.4
162.03229	0.8
163.02737	1.3
164.07062	1.2
166.08655	0.9
169.03539	0.9
171.05049	2.3
173.03000	3.0
173.06650	0.9
174.03238	0.8
175.02802	1.1
182.08118	1.2
183.05075	2.5
184.05310	2.0
185.02975	1.6
185.06593	2.1
189.06184	1.0
196.09732	2.3
197.06683	1.0
199.04451	1.1
201.06174	2.4
202.06322	1.6
203.04114	1.7
203.07689	2.0
211.04530	1.2
215.07709	3.8
215.56584	0.8
219.01816	2.4
221.05092	3.9
222.05295	1.0
223.04854	1.2
235.06735	1.1
236.07790	1.2
237.02742	4.9
245.05069	4.0
246.05286	0.9
261.05823	9.3
261.08051	0.9
273.08075	1.9
274.08423	2.0
279.09268	1.0
281.08978	0.8
293.09189	1.0
303.09201	2.3
304.09668	4.0
305.10849	9.6
307.07056	2.0
307.10931	1.4
321.10361	5.8
322.10684	1.7
323.10355	3.7
337.09695	2.6
351.11316	1.2
370.51324	0.9
439.11362	1.8
446.07465	0.9
499.14301	100.0
499.22809	3.1
500.14087	1.6
500.20602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.3
57.07079	100.0
58.31988	1.4
59.05003	17.1
61.13333	1.5
67.05500	1.6
69.07064	2.4
69.29850	13.0
71.08637	99.1
71.19647	1.3
73.06524	1.9
74.56678	1.4
79.26619	1.2
83.08610	1.6
85.10190	93.4
87.04466	3.4
89.06037	98.8
97.10165	1.3
97.33891	1.5
98.21472	2.1
99.11749	7.5
99.63408	1.3
103.07578	6.8
107.07059	3.1
131.07031	1.9
132.89958	1.6
133.08611	60.1
134.60216	1.4
141.16373	12.0
175.09630	2.7
177.11229	35.0
199.20598	9.7
221.13864	4.1
239.14864	2.5
243.23241	4.2
265.16562	3.2
283.17548	35.2
323.20630	4.1
327.19946	1.8
341.21762	3.7
390.51749	1.3
481.37277	5.8
498.39380	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20251	0.9
51.84084	0.8
53.03956	1.8
55.01889	1.5
55.05276	1.4
55.05506	6.6
57.03436	5.9
57.07072	1.2
57.61825	0.9
61.02922	2.3
67.05508	31.7
69.03435	3.2
69.07052	5.1
70.06595	2.7
71.04994	9.5
71.55397	2.0
72.08135	1.6
73.02901	1.2
77.42216	1.0
79.05495	11.7
81.03414	2.7
81.07061	54.1
83.04958	3.1
83.08603	5.8
85.02898	5.1
85.06547	6.0
91.03918	1.4
91.05482	13.2
93.07048	20.1
95.04970	3.0
95.08612	8.7
97.02895	4.0
97.06528	5.8
99.04443	1.4
99.08101	2.6
105.07039	4.6
107.08601	9.0
109.02798	1.4
109.06522	2.1
109.10148	4.8
111.08089	2.5
113.06045	1.2
117.07029	6.4
119.08566	1.3
121.06523	0.9
121.10143	4.6
123.08092	1.1
123.11705	8.7
127.03917	1.6
131.08583	4.6
133.10129	13.5
135.08154	1.1
135.11694	4.4
145.10168	1.5
149.09578	1.2
149.13268	8.9
151.11192	5.1
153.05447	5.6
159.11708	22.7
161.13252	2.9
169.12320	2.3
177.12762	32.7
179.14297	7.3
187.13274	7.6
195.13826	5.2
197.13287	1.1
213.14703	1.7
226.24133	1.1
233.15428	1.6
243.15939	35.7
251.16441	11.5
257.17398	1.4
269.17484	100.0
301.20117	15.5
313.11725	2.1
313.16324	1.4
341.11395	1.4
347.12866	1.1
373.13849	5.4
445.24539	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	498.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01878	2.1
55.05515	10.4
57.03428	6.6
57.07087	1.6
59.05004	1.4
61.02927	3.0
65.03950	1.3
66.74194	1.4
67.05175	2.5
67.05513	36.4
69.03427	7.3
69.07080	7.3
70.06596	8.3
71.04999	11.9
71.55887	1.9
72.08161	2.2
77.03950	1.4
79.05499	15.5
81.03434	11.2
81.07065	61.8
83.04979	5.0
83.08643	8.1
84.08145	3.2
85.02894	7.7
85.06535	5.9
86.09703	2.7
87.04491	1.7
87.49542	1.5
90.31930	1.4
91.05494	15.0
93.07062	21.2
95.04967	5.8
95.08615	12.1
97.02910	9.2
97.06546	8.7
97.10170	3.2
99.04456	2.8
99.08092	4.0
105.07046	9.8
107.08595	13.3
109.02876	4.7
109.06523	3.3
109.10122	6.8
110.07114	1.4
111.04444	3.2
111.08080	3.3
117.07032	4.5
119.04961	2.0
119.08548	3.8
120.08118	1.5
121.06498	1.4
121.10139	6.0
123.11716	10.1
127.03918	6.0
127.11207	3.4
130.59918	1.6
131.08582	4.9
132.96964	1.6
133.10143	15.4
135.08040	2.5
135.11693	4.1
137.05975	2.6
139.11290	1.5
145.04971	1.8
145.10098	2.7
147.04428	3.5
147.11699	2.7
149.13269	10.3
151.11198	5.2
151.99042	1.6
153.05521	2.2
155.08560	2.1
157.04913	2.0
157.10147	3.3
159.11742	20.3
161.13272	4.6
163.03833	1.9
169.10031	1.8
169.12257	2.6
173.13332	1.8
177.12750	20.5
179.14311	13.4
186.11356	1.7
187.13350	8.5
193.12209	2.7
195.13875	4.4
197.13199	9.5
233.15146	1.5
243.15924	37.0
250.14943	1.7
251.16386	7.3
269.17505	100.0
274.04074	1.6
301.20114	8.8
313.12769	2.1
313.16422	16.7
319.15698	1.5
339.18030	4.2
371.20560	3.5
373.13925	2.6
443.27005	1.6
456.65317	1.7
498.32373	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	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.2
55.01862	9.6
55.05512	21.6
57.03444	34.3
57.07073	11.1
59.79527	3.1
61.02646	4.7
61.02933	63.4
65.03947	4.0
67.05507	85.8
69.03438	38.7
69.07076	29.2
70.06586	4.2
71.01350	10.1
71.04990	7.8
71.08630	5.0
71.55298	5.5
72.08154	14.9
73.02927	39.2
79.05500	58.4
81.03426	30.3
81.07061	100.0
83.04996	9.4
83.08620	13.3
85.02914	77.7
85.06531	5.9
91.03982	41.9
91.05490	50.9
93.07053	67.3
95.04986	20.0
95.08052	6.8
95.08614	79.1
97.02900	54.8
97.06521	7.9
97.10159	4.3
98.09698	6.4
99.04466	7.5
101.02403	9.9
105.07024	41.3
107.04958	8.9
107.08601	38.6
109.02886	8.3
109.06509	5.1
109.10155	31.5
111.04436	6.5
111.08068	4.5
111.11807	3.7
115.03927	4.7
115.05363	3.8
117.07029	15.2
119.08599	33.6
121.06472	8.5
121.10151	31.9
123.11700	10.1
127.03905	20.3
129.05522	7.9
129.07014	14.4
131.08589	35.2
133.06494	7.7
133.10155	21.8
135.08038	6.8
135.11674	23.0
137.09634	5.8
137.13310	4.9
143.08569	16.3
145.04985	7.8
145.06580	4.0
145.10144	25.7
147.08034	7.5
147.11700	12.9
149.09669	5.1
149.13300	16.6
153.05521	4.6
155.08534	7.0
157.06462	4.7
157.10143	12.0
159.08073	6.0
159.11720	17.2
161.13269	10.7
163.11168	6.2
163.14836	10.6
169.10132	6.2
171.08076	3.6
171.11679	8.5
173.13278	17.2
175.14867	12.7
183.11754	4.5
185.13326	9.9
187.11229	4.7
187.14833	10.2
190.50308	4.2
191.14256	7.3
195.11714	5.8
195.13739	3.9
197.13339	3.6
199.14920	5.5
211.14899	4.9
221.15553	3.9
243.21095	11.6
259.20657	6.1
261.22205	30.2
277.21573	5.5
289.21613	4.4
303.23108	11.2
310.45493	4.0
315.23190	8.8
319.22681	5.3
327.23138	6.9
335.25827	37.6
341.25027	5.9
351.22897	8.6
369.23975	18.0
377.26935	7.0
387.25305	4.0
388.80118	3.6
389.26904	7.5
393.26144	3.7
405.26376	4.6
419.28015	10.6
431.28116	9.9
443.27936	37.8
461.28894	15.7
479.29901	28.3
497.30994	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.7
55.01861	10.1
55.02398	3.5
55.05515	28.1
57.03439	34.4
57.07085	7.3
61.02926	63.3
65.03936	7.7
67.05505	88.7
69.03439	35.1
69.07071	28.5
70.73738	7.5
70.74099	7.1
71.01331	7.3
71.04985	7.6
71.08629	4.2
72.08141	9.3
73.02917	33.9
79.05501	65.9
81.03434	26.0
81.07056	100.0
83.04974	9.2
83.08607	13.4
85.02910	59.8
85.06534	8.2
88.75319	3.8
91.03967	33.7
91.05483	52.1
93.07043	77.5
95.04958	13.3
95.08603	70.0
97.02903	59.3
97.06539	8.3
98.09682	8.0
99.04433	8.0
101.02365	9.2
103.03960	8.6
105.07030	50.4
107.04948	10.7
107.08603	41.2
107.12568	4.0
109.02883	9.4
109.06491	14.0
109.10167	26.5
111.04466	5.3
115.05498	4.2
117.05489	4.0
117.07022	15.7
119.08582	38.0
121.06534	8.4
121.10126	30.7
123.04390	4.7
123.08057	5.8
123.11721	11.6
127.03926	18.8
129.05490	10.2
129.07004	14.1
131.08560	43.1
133.06480	5.4
133.10144	32.2
135.11684	20.7
137.09680	3.6
137.13240	5.3
141.06949	4.6
143.08556	12.4
145.04997	8.8
145.06502	4.4
145.10127	24.4
147.08066	9.3
147.11679	20.3
149.09627	5.1
149.13263	14.8
155.08527	7.4
157.10136	12.6
159.08003	8.1
159.11687	20.4
161.09668	5.3
161.13254	13.7
163.11220	5.6
163.14764	9.2
169.10150	8.4
171.08073	5.8
171.11769	5.7
173.13210	19.2
175.11145	5.7
175.14767	9.1
177.12778	5.7
183.11749	4.7
185.13316	9.6
187.14793	10.4
189.12697	4.7
189.16267	4.0
191.14319	4.4
199.11122	5.1
199.14720	6.0
200.60190	4.4
203.14380	4.7
217.00734	3.6
229.15959	3.9
232.93851	3.8
239.95538	3.8
243.21049	12.3
259.20587	7.9
261.22241	25.8
275.23654	6.6
279.23279	4.2
285.22269	5.5
301.21439	6.6
303.23132	16.7
308.60318	3.7
315.23270	7.3
317.24854	10.4
319.22617	6.6
327.23145	8.3
335.25797	42.8
341.24863	8.6
347.25751	4.9
351.23035	8.0
365.26648	7.8
369.24216	21.9
377.26862	9.0
387.25266	12.9
389.26941	6.6
419.27716	11.9
425.26782	6.0
431.27798	13.7
443.28009	45.1
461.28983	23.4
479.29965	18.0
497.31006	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	21.9
55.01888	5.1
55.05519	25.2
57.03439	43.7
57.07083	5.4
61.02932	3.8
63.37061	3.4
65.03945	6.3
67.05172	6.1
67.05511	93.7
67.85793	3.4
68.31837	3.3
69.03432	46.9
69.07076	27.0
70.95307	3.8
70.95628	3.9
71.01342	4.8
71.04989	15.2
72.08166	5.5
73.02917	7.2
75.04478	5.6
79.05498	56.4
81.02980	5.5
81.03424	76.0
81.07059	100.0
83.05005	7.3
83.08643	7.0
85.02918	47.6
85.06536	4.9
89.05295	3.1
90.10241	3.2
91.05488	36.7
93.07050	57.6
95.04972	10.0
95.08611	75.7
95.09225	3.9
97.02892	41.1
97.10178	6.1
99.04445	25.8
103.03951	43.7
105.07047	22.5
107.08604	32.7
109.02894	40.8
109.06522	6.8
109.10141	30.5
111.04474	5.6
115.03935	5.4
117.05515	5.6
117.07006	9.3
119.01881	3.2
119.08607	16.4
121.10162	31.5
123.11714	17.1
125.02330	5.4
127.03911	36.0
129.05473	6.8
129.07007	4.0
131.08582	16.2
133.10158	15.8
135.08139	4.4
135.11710	22.7
137.13243	5.5
145.04961	6.4
145.10132	12.1
147.11681	12.1
149.09596	4.0
149.13263	10.6
157.10178	5.6
159.11719	12.4
161.13274	5.9
163.14816	7.1
171.06503	4.6
171.11711	4.7
173.13322	8.1
175.14905	4.6
183.06529	14.2
187.14859	5.7
201.07590	8.9
243.21193	5.8
245.07227	3.9
261.22159	21.8
263.23743	11.3
335.25836	24.2
337.27377	5.1
405.26495	16.9
497.30591	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	497.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04699	0.5
53.03930	0.5
55.05507	0.9
57.03431	0.7
61.02933	0.9
67.05502	2.2
69.03425	2.1
69.07067	5.5
70.06589	2.3
71.04989	0.5
71.55657	0.5
72.08154	1.3
79.05490	1.7
81.03393	1.5
81.07070	3.1
82.37061	0.4
83.04974	1.5
84.04494	1.9
84.08147	2.8
85.02913	2.3
86.09711	0.6
87.00873	0.5
91.05470	1.7
93.07044	1.9
95.04967	1.0
95.08622	2.3
97.02900	2.9
97.06533	1.8
99.04470	0.8
99.08104	0.5
105.07030	1.9
107.04935	1.9
107.08591	2.5
108.08076	0.6
109.02877	1.7
109.06514	1.4
109.10149	2.1
111.04480	0.6
119.04987	0.6
119.08585	1.5
120.08099	1.2
121.06553	1.2
121.10201	1.1
122.06026	0.9
123.04422	0.5
123.08022	0.8
123.11724	0.8
125.09641	0.6
127.03928	2.6
130.06551	2.6
131.08556	1.1
133.10123	1.9
135.08052	1.2
136.07555	1.2
137.05956	1.4
137.09644	0.6
140.07024	0.6
145.04907	0.5
145.10126	1.1
146.05942	0.5
146.07500	0.5
146.09624	0.5
147.04404	1.0
147.08054	0.5
147.11691	1.1
148.64478	0.5
149.05960	0.7
149.09587	0.6
150.05537	5.8
151.03873	1.0
153.05478	1.2
153.09102	1.1
157.07571	0.8
158.06032	1.5
159.11739	0.6
163.03940	0.7
165.09122	0.8
165.12787	0.5
166.05040	1.6
166.08673	1.0
173.13226	0.5
175.08733	1.0
175.14952	0.5
177.05484	1.1
182.15442	0.5
185.04216	0.5
190.12187	0.7
209.11725	0.5
216.10124	0.6
218.11630	0.9
227.05341	0.8
228.10231	1.1
246.11320	1.7
249.14763	2.4
277.14188	0.9
281.24991	0.6
286.12003	0.7
289.05255	0.5
299.09940	0.7
299.25726	0.6
303.05029	1.6
314.11307	0.7
317.11258	4.0
330.07257	0.6
335.12415	7.6
372.08688	0.5
400.27222	0.5
411.19897	10.6
435.20065	0.7
453.20953	26.6
454.21118	0.8
477.99747	0.6
497.19952	100.0
498.20068	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	497.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29742	0.8
59.24488	0.8
60.58163	0.7
62.12362	0.8
67.05516	1.3
68.84606	0.7
69.03426	0.9
69.07064	1.1
70.06596	2.1
70.95171	1.4
72.08159	1.1
74.01646	0.8
74.98180	0.7
83.04983	0.9
83.42253	0.9
91.05489	0.9
97.02917	0.9
107.08614	1.4
109.10207	0.9
125.85313	0.8
131.64691	0.7
146.06012	1.2
147.04404	1.4
150.05589	1.6
176.74768	0.7
188.12706	0.8
190.12286	0.9
197.63896	1.0
203.05486	0.9
217.09921	0.8
225.09024	0.8
225.23058	0.8
231.13770	1.0
245.06473	2.2
249.14697	3.6
271.04330	1.7
289.05261	4.0
317.11371	1.3
335.12427	2.7
381.57028	0.8
393.18646	1.3
402.88937	1.1
411.19879	8.9
435.19968	1.0
453.20953	23.6
479.19342	1.4
497.19974	100.0
498.20108	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
53.47855	0.5
55.05497	1.5
61.02924	0.8
61.91056	0.5
65.03926	0.6
67.05486	2.4
69.03437	2.6
69.07068	5.9
70.06578	1.9
71.04996	1.3
71.55826	0.7
72.08142	1.7
78.35397	0.5
79.05483	1.5
81.03419	1.7
81.07059	3.3
83.04974	1.0
83.08624	0.8
84.04499	1.9
84.08138	2.0
85.02902	2.8
85.06495	0.5
87.04449	0.6
91.05459	1.5
93.07048	2.4
94.06580	0.6
95.04941	1.3
95.08601	2.7
97.02894	2.5
97.06516	2.1
99.04472	0.7
102.05483	0.6
105.07047	2.1
107.04961	2.4
107.08584	2.4
109.02859	1.7
109.06514	1.1
109.10149	1.8
111.04452	0.8
111.08083	0.7
117.07032	0.6
119.08595	1.5
120.08113	1.4
121.06502	0.9
121.10150	2.0
123.08069	0.5
127.03922	2.0
130.06514	2.8
132.04440	0.6
133.10156	1.9
135.04477	0.7
135.08032	0.9
135.11732	0.6
137.05963	1.5
137.09592	0.8
140.06990	0.9
143.08508	0.7
145.10133	1.1
147.04427	0.8
147.11658	0.9
149.06013	0.8
149.09599	0.7
149.13156	0.6
150.05508	5.8
153.05473	1.6
153.09087	0.7
157.07657	1.2
158.06046	0.9
163.03954	0.7
166.05014	1.3
166.08621	1.1
170.90298	0.5
177.05504	0.6
181.65901	0.6
185.04224	0.7
188.10608	0.6
213.12764	0.6
218.11743	1.7
218.64763	0.5
228.10196	1.6
233.11552	0.8
245.22757	0.9
246.11285	1.8
249.14703	2.3
277.13895	0.6
281.24814	0.6
287.10211	0.7
299.26062	0.6
303.05093	1.8
317.11282	3.1
335.12402	7.5
411.19907	12.9
435.19965	0.9
453.20987	27.9
454.21097	0.9
470.63815	0.7
497.19946	100.0
498.20465	2.8
498.26797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01853	0.9
57.03418	1.3
59.05006	0.6
61.02914	2.2
66.59827	0.6
67.05505	0.7
69.03432	10.8
69.07092	0.5
70.06603	5.3
71.04988	1.4
72.08153	1.1
73.02913	1.9
79.05486	0.9
81.03427	9.0
81.07037	1.1
84.08132	0.9
85.02908	21.3
85.06547	0.7
87.04435	1.1
91.03951	1.1
91.05492	1.3
93.07037	0.8
94.25575	0.5
95.01381	0.7
95.04979	0.8
95.08569	1.0
97.02896	22.6
99.04440	2.6
103.05447	0.7
105.07036	5.6
107.04960	100.0
108.05293	1.0
109.02891	7.9
110.07128	0.8
113.02373	79.5
114.02740	0.6
115.03937	1.1
115.05459	1.5
119.04941	0.7
121.06580	0.8
127.03923	14.6
131.04897	2.5
133.06503	17.2
135.04437	0.8
145.04959	15.2
147.04471	0.8
149.05995	2.4
159.04425	1.4
161.05988	19.2
171.05577	2.2
177.05470	10.9
187.03900	2.0
188.08354	0.7
191.14262	0.7
195.06540	41.1
195.43506	0.6
205.04976	13.2
213.48000	0.6
223.05980	4.9
233.11671	1.0
249.07664	1.9
249.11360	0.7
289.05276	4.1
321.09796	2.0
349.09225	2.0
367.10583	1.4
414.05472	0.6
453.21030	1.6
479.18079	0.8
497.20477	7.7
524.57745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.1
53.03936	2.4
54.07602	1.2
55.05510	1.5
57.03417	2.0
58.08100	1.0
61.02932	1.7
67.01871	1.2
69.03431	11.7
69.31141	9.9
70.06596	10.4
71.04978	2.9
71.06918	1.2
72.08144	3.3
73.02926	1.9
79.05470	2.9
81.03414	8.9
81.07061	2.0
83.04964	1.3
84.04472	1.3
84.08145	1.6
84.45892	1.0
85.02428	1.7
85.02906	22.1
86.09699	1.6
86.94189	1.1
87.00817	1.5
90.73637	1.1
91.05457	2.4
93.07017	1.4
94.51658	1.1
95.04976	1.4
97.02898	24.6
99.04458	2.4
105.07031	6.3
107.04960	100.0
107.08571	1.4
109.02885	9.3
110.07175	1.2
113.02373	83.1
115.03922	1.6
115.05452	1.4
119.08561	1.5
122.06053	1.3
127.03917	16.9
128.07104	1.3
131.04924	1.9
133.06502	17.5
135.04391	1.0
145.04955	16.0
147.04501	1.5
149.05960	1.4
161.05986	21.9
163.03877	1.4
171.05626	1.4
173.06039	1.6
176.35841	1.1
177.05505	11.1
187.03853	3.3
195.06534	41.7
205.04964	13.8
223.05992	3.7
233.11771	2.3
249.11124	5.1
280.98032	1.2
284.66522	1.4
289.05240	7.1
317.11166	2.0
321.09720	1.2
349.08871	1.7
411.19547	1.9
453.21252	5.6
479.18506	1.5
479.25241	1.3
497.20529	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	495.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.5
55.65862	0.9
57.03426	1.0
57.07079	31.4
59.04993	4.0
60.59783	0.9
65.03946	2.3
67.05508	100.0
69.07069	8.9
69.85857	4.6
71.04988	3.3
71.08634	25.0
78.11454	0.8
79.05496	3.9
81.07060	24.0
81.07525	1.6
83.08623	14.7
85.06557	2.7
85.10178	13.2
87.04503	1.0
91.05482	6.2
93.07024	5.0
95.04942	1.2
95.08605	24.7
97.10174	8.8
105.07056	1.1
107.08601	3.1
109.10162	72.4
111.08121	2.6
111.11733	3.5
119.08553	5.8
123.11732	3.8
125.09684	1.2
125.13262	1.2
137.09628	3.1
137.13263	2.0
155.01070	1.7
155.10652	4.8
173.11755	21.3
173.19766	1.0
267.26730	4.8
276.24991	0.9
341.30707	1.4
495.40463	83.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	2-Palmitoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05516	0.7
56.05035	1.8
57.03456	0.8
57.07082	4.0
58.06613	1.4
59.05001	0.6
60.07878	1.1
60.08170	16.8
67.05496	1.5
69.07060	0.8
70.06577	0.6
70.79777	0.5
71.07381	6.8
71.08636	2.3
71.55861	0.8
72.08165	1.1
81.07071	1.5
83.08608	0.8
85.10184	1.3
86.09715	47.5
88.77237	0.7
95.08628	1.6
98.98477	4.2
104.10754	100.0
109.10185	0.6
117.35554	0.5
125.00014	25.3
137.71312	0.6
184.07356	95.2
185.07710	0.6
221.24310	0.7
238.64082	0.6
246.86768	0.7
258.10989	1.2
291.14233	0.7
313.27396	2.7
401.16455	0.6
478.32803	7.4
496.16788	0.7
496.34052	26.3
497.34882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3319
Annotation	Makisterone B
Peak:m/z	Relative Intensity
52.88382	0.7
55.05511	15.5
57.03448	1.1
57.07064	2.9
57.77151	0.8
65.03941	1.4
67.05509	14.0
69.03441	1.9
69.07069	21.0
69.21930	5.0
69.22346	3.6
70.04225	0.8
71.04994	1.3
72.08155	1.0
79.05495	9.6
81.07063	30.4
83.01334	2.2
83.04977	2.6
83.08639	6.7
85.02918	1.0
85.06532	2.2
91.05498	5.8
93.07050	15.5
95.01327	2.5
95.04974	2.3
95.08051	1.7
95.08614	21.8
97.02893	0.9
97.06527	2.7
97.10166	3.9
99.00827	12.0
99.04459	4.3
105.07032	4.3
107.08601	12.3
109.06496	1.9
109.10165	11.3
111.04462	1.1
111.08083	1.3
111.11696	1.3
113.02349	2.4
117.01839	1.0
119.08585	2.7
121.06492	1.2
121.10151	6.9
123.04469	1.0
123.08048	1.3
123.11702	5.6
125.06023	1.2
125.09641	0.9
129.06944	1.1
131.08588	1.5
133.06516	1.7
133.10185	2.2
135.04422	2.5
135.08038	2.8
135.11711	6.4
137.05969	2.8
137.13242	2.0
139.07533	1.4
139.11169	1.0
145.10149	2.8
149.02280	1.2
149.05968	3.7
149.13264	3.4
151.07570	2.0
153.05461	5.9
155.07021	2.5
159.11740	1.4
161.05972	2.9
161.09679	1.8
163.03940	3.0
163.07593	3.4
163.11208	1.9
165.09106	1.9
171.08145	1.3
175.07573	4.4
175.11151	1.0
175.14851	1.0
177.05489	7.4
177.09122	2.2
181.04955	19.3
183.06532	6.4
189.09129	16.9
191.07066	2.7
191.10733	1.5
191.17876	1.0
193.12227	1.3
195.04727	2.1
195.06537	42.8
203.10690	2.6
205.08591	2.4
205.12210	1.3
207.06541	2.8
209.08124	18.9
219.10199	1.2
221.07990	2.2
221.15404	1.1
223.09665	24.6
231.10199	1.0
235.09714	2.5
237.11226	25.7
249.11235	13.3
251.12790	8.9
263.12823	5.6
265.14395	3.1
277.14404	3.1
279.16037	1.7
291.16129	1.9
293.17578	3.8
295.96359	1.0
305.17499	2.8
307.19043	4.1
317.17645	1.3
319.19168	4.4
331.19000	1.6
333.20496	1.2
347.21979	1.2
375.25201	1.3
441.30084	15.6
442.31396	1.1
459.31076	100.0
460.31067	1.3
477.32184	76.0
478.32486	1.4
495.33182	41.5
512.01331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.9
55.05513	10.4
56.07515	0.7
57.03431	1.3
57.07074	3.2
59.05004	0.9
65.03931	1.1
67.05507	15.2
67.07956	0.7
67.33511	0.6
69.03447	3.4
69.07072	12.2
70.06580	1.1
71.05002	1.5
72.08136	1.0
77.55952	0.7
79.05498	9.0
81.03416	2.2
81.07059	27.8
83.01353	1.7
83.04987	1.8
83.08620	6.4
85.02908	1.3
85.06551	7.9
86.74118	0.6
87.00862	0.8
91.05476	6.6
93.07046	15.0
94.63351	0.6
95.01343	1.0
95.04951	1.9
95.08610	20.8
97.02911	1.2
97.06518	3.1
97.10162	1.6
98.58394	0.7
99.00819	8.2
99.04427	4.4
105.07030	5.4
107.04948	1.6
107.08597	15.2
109.02857	1.3
109.06524	2.0
109.10165	13.2
111.04458	0.9
111.08111	1.0
111.11744	0.9
113.02377	1.2
117.07053	0.9
119.04967	1.4
119.08573	3.4
121.06512	1.4
121.10151	6.9
123.04443	1.7
123.08050	1.0
123.11720	6.0
125.05996	1.5
125.09660	1.1
127.03923	1.5
128.06259	0.9
129.07039	1.3
131.08557	1.6
133.06470	1.8
133.10136	2.4
135.04465	1.8
135.08058	1.3
135.11705	6.0
137.05930	3.2
137.09616	1.0
137.13298	1.0
139.07558	1.0
143.08565	0.8
145.10123	2.2
147.04378	1.3
147.11725	1.6
149.02376	0.8
149.05998	2.8
149.09648	1.3
149.13280	3.3
151.03899	1.0
151.07556	2.2
151.11238	0.8
153.05475	4.8
155.07072	1.8
155.08556	0.6
157.10068	0.8
159.11754	1.6
161.05983	2.7
161.09665	1.5
162.06804	0.9
163.03928	2.7
163.07571	2.7
163.14851	1.1
165.05469	1.0
165.09195	1.1
167.07068	1.5
169.04980	0.6
171.08044	1.8
171.11754	1.0
173.09634	1.2
175.07576	3.4
177.05525	6.5
177.09195	1.8
177.16455	0.8
179.07138	1.0
179.10660	1.2
181.04965	14.3
181.06520	1.2
183.06555	4.0
187.11197	0.6
189.09120	13.3
191.07094	2.1
191.10785	0.9
193.08582	1.1
195.04747	1.5
195.06541	29.9
199.06068	0.8
203.10736	2.5
205.08578	1.4
205.12195	0.8
207.06573	1.8
208.49849	0.7
209.08083	11.8
213.12794	0.8
217.12323	1.1
221.08107	2.2
223.09647	18.6
231.13948	1.1
233.15443	0.8
235.09674	2.7
237.11227	18.8
245.11836	0.8
249.11243	13.7
251.12770	5.1
255.06598	1.0
257.08154	1.2
263.12827	3.6
265.14401	1.9
269.08127	0.9
273.18665	0.8
277.14435	2.2
279.15927	1.4
291.16058	1.9
293.17502	2.5
305.17639	2.2
307.19016	3.0
317.17529	2.4
319.19070	3.1
331.18839	1.5
333.20554	1.3
373.23642	0.8
375.25327	3.4
429.30099	7.8
441.30072	11.3
447.14606	0.8
459.31079	42.6
460.31094	0.9
477.32156	100.0
478.32416	1.6
495.17993	2.5
495.33261	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	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.4
55.01868	13.3
55.05304	3.5
55.05515	32.8
57.03439	38.6
57.07070	6.9
59.05010	3.7
60.60003	2.8
61.02646	4.1
61.02934	56.7
65.03942	4.8
67.05179	4.3
67.05511	71.8
69.03429	44.2
69.07073	30.9
69.57020	19.5
71.01354	9.9
71.04982	7.7
73.02917	37.0
77.03966	3.2
79.05499	87.9
81.03429	26.2
81.07061	75.2
83.04990	15.5
83.08620	15.1
85.02906	63.0
85.06533	4.9
87.04469	5.3
91.03978	25.0
91.05484	100.0
92.79360	2.9
93.06479	5.0
93.07050	91.6
95.04973	19.0
95.08047	5.0
95.08608	59.9
97.02896	53.2
97.06528	12.9
97.10169	6.2
99.04440	9.1
99.08121	4.8
101.02356	7.8
103.03936	9.2
103.05498	4.1
103.89196	2.9
105.07037	99.3
107.04972	14.2
107.08595	58.7
109.02865	9.2
109.06528	11.6
109.10167	20.9
111.04444	7.8
111.08080	8.6
115.03932	3.7
115.05457	6.0
117.07027	48.1
117.41010	2.8
119.04932	3.2
119.08595	73.9
121.06509	9.3
121.10144	40.9
123.04414	3.9
123.08087	11.2
123.11731	8.3
127.03955	17.1
128.06241	11.9
129.05467	9.4
129.07007	31.1
131.04909	4.4
131.08572	63.4
133.06488	10.7
133.10136	68.6
135.04395	3.2
135.08073	9.1
135.11696	32.3
137.05936	4.5
137.09619	7.4
141.06958	14.7
142.07782	9.4
143.08580	38.4
145.04961	5.2
145.06506	7.8
145.10121	60.3
147.08060	10.2
147.11684	36.2
149.05960	3.0
149.09615	4.3
149.13254	10.9
153.05478	6.2
153.06897	4.5
154.07765	6.6
155.08525	14.6
157.10156	38.8
159.08055	8.8
159.11694	41.1
161.09615	9.5
161.13284	24.6
163.11136	8.2
163.14818	5.0
165.07011	4.7
165.12746	4.7
167.08563	11.4
169.10139	18.2
171.06689	3.4
171.08084	9.9
171.11679	27.9
173.09598	11.3
173.13271	28.7
175.11156	6.0
175.14865	8.7
177.12782	5.0
179.08551	3.7
181.08685	3.3
181.10049	13.5
182.03806	3.2
183.08069	4.5
183.11702	14.4
185.09676	5.9
185.13245	21.9
187.11203	9.3
187.14856	9.1
189.12785	6.6
191.10596	3.4
193.10063	4.2
195.08067	4.2
195.11745	8.3
197.09650	5.9
197.13237	12.9
199.11243	7.8
199.14836	10.5
201.12775	5.6
203.14392	5.0
205.12206	5.2
209.13261	6.9
211.11267	5.2
211.14810	8.7
213.12845	5.3
219.13684	3.4
223.11043	3.2
225.16283	3.0
229.19673	3.1
231.17494	3.5
239.17941	5.4
241.19576	14.5
253.15971	3.6
253.19547	4.9
257.19046	9.5
259.20575	23.5
262.27725	3.0
269.19046	5.8
271.20529	10.5
273.22104	3.8
275.20166	6.1
277.21707	5.2
283.20554	6.5
285.22086	3.5
287.20142	4.8
289.21786	8.5
299.19974	5.0
301.21484	17.0
313.21603	13.0
315.23169	8.4
320.64941	3.3
321.22205	4.6
325.21573	8.1
329.21356	4.0
331.22711	3.7
333.20511	6.7
333.24216	45.4
339.23132	4.9
343.22775	6.5
345.24307	9.7
347.25757	4.0
349.21039	13.5
351.25357	3.3
355.22473	5.6
357.24268	5.5
361.23788	10.8
363.25360	8.7
367.22614	24.3
373.23642	4.7
375.25323	13.9
385.23886	14.3
387.25211	7.6
399.25256	5.3
403.24789	8.0
417.26315	8.0
421.25671	3.7
423.25043	5.6
429.26489	11.6
441.26514	41.4
459.27206	28.2
477.28308	38.9
495.29669	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03187	3.7
53.03941	14.3
53.75556	3.7
55.01881	8.6
55.05515	29.2
57.03439	43.8
58.43265	3.7
61.02932	55.9
62.39059	3.6
65.64448	4.0
67.05510	73.3
69.03432	45.5
69.07072	26.1
71.01353	9.5
71.04997	10.4
72.08126	4.5
73.02922	45.6
79.05499	85.9
81.03425	33.8
81.07066	94.8
83.04980	13.4
83.08617	19.5
85.02917	69.5
85.06566	6.1
91.03970	33.8
91.05491	100.0
93.07048	87.2
95.04968	22.6
95.08617	61.2
97.02900	55.7
97.06509	11.1
97.10152	10.4
99.04452	10.0
99.08065	4.5
101.02370	9.4
101.06031	3.6
103.03934	7.9
103.05502	8.1
105.07037	96.8
107.04968	12.9
107.08614	55.7
109.02861	14.0
109.06522	8.5
109.10136	21.3
115.05464	8.7
117.07027	42.8
119.04971	5.8
119.08590	66.3
121.06551	9.2
121.10143	40.7
123.08101	6.7
123.11723	5.0
127.03912	17.6
128.06239	11.5
129.05487	9.0
129.07004	33.4
131.08582	65.1
133.06471	8.7
133.10133	52.2
133.52077	4.0
135.08057	6.9
135.11700	27.8
137.06007	6.9
137.09619	4.4
141.06973	10.4
142.07730	5.7
143.08560	31.7
144.09288	6.2
145.04974	6.1
145.06467	10.3
145.10123	54.9
147.08052	12.7
147.11697	34.6
149.09650	8.7
149.13260	14.7
153.05490	9.3
155.08566	16.3
157.10126	32.9
159.08087	11.1
159.11685	42.7
161.05983	4.0
161.09674	8.0
161.13271	18.3
163.11212	7.4
163.14900	4.3
165.06906	4.6
167.08601	9.1
169.10135	20.6
171.08060	11.7
171.11673	27.7
173.09679	8.4
173.13292	27.6
175.11177	8.1
175.14841	9.3
177.12772	5.9
179.08504	4.8
181.00330	3.8
181.10162	8.1
183.08069	5.7
183.11679	17.8
185.09578	7.7
185.13269	21.1
187.11223	6.8
187.14798	8.1
189.12753	6.6
195.11752	7.3
197.09645	6.1
197.13339	8.5
199.11209	6.5
199.14847	8.0
201.12813	6.9
203.14333	7.0
205.10165	4.4
209.13344	6.9
211.14775	6.3
213.12776	4.6
213.16579	4.2
215.14406	7.7
241.19519	15.0
251.14093	4.9
259.20615	24.3
271.20584	9.2
273.22128	4.3
275.20224	5.5
277.21762	6.8
283.20612	4.3
287.20193	4.6
289.21487	5.5
299.20193	6.3
301.21704	17.3
313.21503	13.0
315.23251	6.6
325.21600	9.2
331.22592	5.5
333.24283	52.2
339.23212	6.7
343.22638	7.5
344.57712	4.4
345.24365	6.3
349.21442	9.9
357.24417	7.0
361.23746	9.5
363.25308	11.0
367.22748	27.0
375.25345	13.3
385.23724	10.9
387.25388	6.5
399.25412	4.7
403.24844	10.8
417.26434	14.0
423.25043	7.4
429.26285	13.7
441.26511	47.1
459.27429	32.4
473.59064	3.9
477.28366	39.9
495.29538	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.9
55.01867	9.0
55.05519	30.4
55.59570	2.5
57.03441	25.5
57.07062	4.3
61.02929	29.7
65.03934	4.9
67.05511	64.6
69.03439	24.4
69.06760	3.2
69.07078	28.0
70.06612	3.4
70.61529	6.8
70.61859	3.8
71.01352	9.0
71.04990	9.7
72.08162	4.8
73.02922	18.6
74.29152	2.7
75.04483	3.6
79.05500	65.3
81.03423	30.3
81.07065	73.9
83.04982	10.1
83.08621	11.9
85.02916	44.9
85.06522	3.5
87.04458	3.7
87.73222	2.9
91.03963	22.1
91.05490	78.0
92.49535	3.2
93.07056	81.2
95.04987	15.6
95.08048	5.1
95.08612	55.0
97.02901	29.0
97.06531	6.9
97.10181	7.5
99.04463	7.8
99.08096	4.8
101.02386	4.4
103.03958	6.6
103.05516	5.3
105.07040	78.0
107.04966	11.4
107.08605	42.9
109.02899	6.7
109.06519	9.8
109.10197	22.3
111.04446	6.7
111.08112	5.0
115.05477	7.4
115.09345	2.6
117.07031	40.1
119.04973	5.0
119.08597	51.5
121.06489	11.1
121.10139	30.4
123.08092	7.1
123.11716	6.3
125.05971	3.3
125.09624	4.1
127.03931	12.1
128.06216	9.6
128.61862	2.8
129.05511	5.0
129.07039	31.7
131.04869	3.5
131.08586	56.7
133.06509	12.1
133.10132	43.8
135.08064	7.9
135.11726	19.1
137.05705	3.0
137.09587	4.1
137.13269	4.8
141.07002	19.8
141.09131	2.6
142.07773	9.6
143.08585	33.8
145.05043	5.6
145.06503	12.1
145.10153	52.5
147.08047	9.9
147.11702	25.8
149.06058	3.7
149.09583	7.1
149.13255	14.6
153.06995	3.7
154.07788	5.3
155.08582	18.3
156.09468	3.5
157.06541	6.2
157.10156	34.1
158.07283	4.2
159.08060	16.7
159.11717	33.4
161.09630	8.2
161.13255	14.8
163.07552	3.3
163.11218	9.9
165.07019	5.3
167.08572	8.4
169.06453	4.1
169.10167	22.0
171.08105	10.2
171.11731	33.3
173.09639	10.4
173.13272	19.2
175.11234	10.3
175.14911	7.3
181.10146	10.7
183.08069	4.7
183.11763	13.5
185.09633	10.0
185.13252	14.4
187.11227	8.3
187.14865	8.5
189.12849	5.4
193.10078	3.1
195.11757	8.9
197.09628	5.4
197.13289	6.5
199.07497	3.9
199.11325	8.3
199.14896	10.1
201.12820	8.9
201.16507	4.3
207.11757	4.2
209.13295	7.8
211.11308	7.1
211.14827	6.0
213.12712	8.1
221.13519	3.8
223.11040	3.5
225.12743	4.6
229.12262	3.8
239.14421	5.6
241.12218	3.8
241.19554	7.4
257.19070	6.3
259.20724	15.1
269.19113	5.7
271.20651	9.4
273.22223	6.3
275.19897	4.6
283.20398	4.7
285.22086	3.8
289.21579	5.5
297.22092	4.2
299.20160	5.1
301.21634	11.7
313.21591	10.5
315.23254	4.7
325.21680	10.1
333.24356	15.5
337.21692	6.7
339.23102	5.0
343.22693	6.6
349.21832	10.5
355.22647	4.2
357.24277	4.3
361.23840	9.7
363.25491	8.1
367.22824	24.4
373.23700	4.7
375.25223	14.4
377.26981	4.2
379.33157	2.9
385.23749	9.7
387.25256	7.9
403.24777	11.2
405.26566	6.9
407.60431	3.3
412.10541	3.4
417.26315	15.5
423.25156	4.0
429.26465	14.3
441.26389	47.7
459.27368	32.7
477.28525	42.0
495.16953	3.6
495.29553	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1288
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
53.03919	0.6
55.05502	0.8
55.12103	0.4
59.68977	0.3
64.17460	0.4
67.05484	1.4
68.99787	0.5
69.03410	0.5
69.07060	0.8
71.29511	0.6
79.05469	1.4
81.03412	0.8
81.07058	1.8
83.04948	0.7
83.08635	0.4
91.05495	1.9
91.06004	0.4
93.07026	1.5
95.04980	1.7
95.08587	1.0
97.02886	0.7
97.48588	0.4
102.04664	0.6
103.05483	2.8
105.03391	0.5
105.07058	1.7
107.04976	0.7
107.08587	0.6
109.10130	0.5
115.05458	0.7
116.16872	0.3
117.03349	0.5
117.06990	0.9
118.04134	1.4
119.04923	0.9
119.08543	1.0
121.06475	1.4
121.10099	0.5
123.04393	0.9
125.02312	0.5
127.03878	0.3
130.04129	1.1
131.04933	4.2
132.05754	2.3
133.02869	0.7
133.06500	0.8
133.10147	0.5
134.03639	0.4
135.04381	0.8
137.05997	0.6
139.03833	0.5
140.04672	2.3
145.06467	0.5
146.03645	1.9
147.04410	1.2
147.11703	0.7
148.05214	0.9
149.05966	0.7
151.03836	0.5
153.01836	5.5
153.05438	1.4
157.06541	0.4
159.04379	0.4
160.05199	1.1
161.02296	0.4
161.05992	1.3
162.03140	1.0
163.03871	0.9
166.06227	0.7
167.07056	1.5
173.05954	0.6
176.04724	2.2
177.05493	2.4
178.06271	3.4
180.07840	0.6
183.04605	0.4
191.07007	3.7
192.07846	1.3
201.05472	0.5
203.03348	4.7
209.11769	0.4
213.05450	0.7
229.04967	6.9
241.04996	1.4
242.05756	10.8
253.04961	1.9
255.06598	0.5
256.07031	0.4
257.04462	52.8
258.05246	16.9
269.04388	2.0
270.05258	1.9
271.05978	1.8
285.03940	8.5
285.07001	0.6
286.04721	27.2
287.05496	18.9
297.03918	4.4
299.05588	2.2
300.06357	1.1
301.07330	0.4
311.05707	0.7
327.04880	2.5
333.20187	0.5
341.06488	1.7
360.10162	0.5
416.08621	0.5
419.07709	0.9
423.06195	0.5
444.08505	0.4
445.09225	0.4
447.07297	1.0
461.08887	0.8
462.09470	0.5
465.11868	3.1
477.11786	14.0
477.27667	0.4
495.12860	100.0
496.13306	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	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68120	4.9
53.03939	8.2
55.05520	11.0
55.91862	5.4
62.06097	30.6
67.05499	30.4
69.03410	17.9
69.07052	17.4
69.74175	32.7
70.06584	12.3
79.05495	14.3
81.03440	8.7
81.07052	21.7
83.08607	6.4
85.02907	16.7
87.00843	9.2
91.05489	8.5
93.07047	16.5
95.04986	6.6
95.08606	72.0
97.02887	16.9
105.01879	6.2
105.07050	16.6
106.02937	6.0
107.08569	24.8
109.02886	13.5
109.10151	32.9
115.07565	6.1
119.08585	24.3
121.10139	21.7
123.11707	22.5
124.03938	17.4
127.03901	16.6
133.10091	9.5
135.11703	13.7
137.06038	14.7
137.09657	10.6
145.05043	8.6
147.04391	8.7
147.11676	9.9
149.13252	11.9
151.07533	7.0
163.07594	6.0
163.14819	10.6
165.12766	8.5
175.14848	23.1
181.15839	6.2
193.15915	44.7
211.16927	100.0
226.50162	6.2
228.19527	7.5
229.18031	18.5
246.20680	33.3
268.07983	7.1
363.08240	7.0
476.15179	6.6
476.26801	10.1
494.17349	7.2
495.18726	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	495.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05492	0.8
57.03408	0.2
61.02935	0.2
65.03928	0.3
67.01865	0.4
67.05508	1.7
68.99792	0.6
69.03419	0.5
69.07052	0.9
70.06557	0.4
70.69541	0.6
71.04980	0.4
72.08131	0.6
78.04688	0.3
79.05489	2.1
79.38130	0.2
81.03402	0.8
81.07060	2.4
83.04976	0.5
83.08601	0.6
84.08142	0.2
85.02893	0.6
85.06516	0.3
89.03911	0.3
91.05476	2.6
93.07032	1.9
95.04982	1.2
95.08614	1.3
97.02878	0.6
97.06532	0.5
97.10148	0.3
103.05484	3.2
105.03384	0.3
105.07034	1.9
107.04934	1.0
107.08609	1.1
109.02837	0.3
109.06467	0.3
109.10142	1.0
111.04469	0.4
111.08047	0.3
115.05463	0.5
117.06985	0.7
118.04173	1.8
119.04926	0.7
119.08554	0.8
121.02823	0.2
121.06512	1.7
121.10135	0.8
123.04388	1.0
123.11667	0.4
125.02296	0.4
125.05917	0.3
129.06973	0.3
130.04134	0.9
131.04942	4.8
131.08539	0.5
132.05724	2.0
133.02846	0.7
133.06451	0.6
133.10130	0.5
134.03592	0.5
135.04437	1.3
135.11710	0.6
137.05956	0.7
140.04675	2.1
145.06499	0.3
145.10132	0.4
146.03636	2.8
147.04416	1.5
147.11668	0.9
148.05182	1.0
149.05995	1.1
149.13237	0.3
151.03880	0.8
151.11299	0.3
153.01833	6.7
153.05463	1.8
154.06288	0.3
155.06996	0.3
159.04408	0.5
159.11726	0.5
160.05225	1.0
161.02341	0.5
161.05952	1.5
162.03148	1.3
163.03893	0.8
163.07570	0.5
165.05482	0.4
165.12788	0.2
166.06277	0.7
167.07079	2.2
171.02882	0.4
173.05957	0.6
175.71323	0.2
176.04716	2.8
177.05476	2.9
178.06244	3.4
180.07822	0.3
183.04306	0.2
191.07037	4.7
192.07843	1.8
193.04938	0.3
195.13721	0.2
195.90817	0.3
199.11288	0.2
203.03404	6.1
208.07150	0.2
210.08815	0.4
213.05452	0.6
229.04980	6.7
230.05678	0.4
241.04993	1.4
242.05748	10.9
253.04985	2.7
255.06575	0.3
256.07486	0.3
257.04462	55.2
258.05240	17.1
259.05859	0.3
267.06400	0.3
267.16010	0.6
269.04483	1.7
270.05264	1.9
271.06052	2.5
272.06650	0.3
283.06128	0.4
285.03958	8.6
286.04727	31.2
287.05508	20.0
288.05768	0.3
295.05978	0.7
297.03964	4.8
299.05560	2.1
300.06201	1.2
301.07040	0.4
311.05338	0.5
313.07336	0.3
316.94531	0.3
323.05731	0.3
327.04962	2.4
341.06525	2.2
343.09622	0.4
345.07736	0.4
357.08115	0.2
359.09134	0.3
363.08640	0.3
371.09247	0.3
387.08734	0.4
388.09445	0.3
391.08081	0.4
403.08478	0.3
405.09924	0.3
416.08881	0.7
417.09869	0.4
419.07773	1.1
421.09225	0.3
433.09097	0.6
444.08557	0.5
445.09204	0.7
447.07132	1.8
449.08676	0.5
456.90396	0.2
461.08401	0.7
462.09528	0.9
465.11859	3.4
470.19843	0.3
474.43976	0.3
477.11755	14.2
477.27594	0.4
478.12091	0.4
495.12860	100.0
496.13303	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
52.59037	0.4
53.03943	0.8
53.90272	0.4
55.01857	0.7
55.05500	1.1
57.03430	1.2
66.04736	0.6
67.05495	1.3
69.03428	0.5
69.07068	0.8
69.35040	1.6
69.35474	1.8
70.06592	0.8
72.08154	0.7
79.05499	4.2
79.37590	0.4
81.03426	1.0
81.07047	1.3
85.02907	0.7
86.09743	0.4
91.05484	4.7
93.07044	0.8
95.04955	1.5
95.08613	1.0
97.02899	0.4
97.06536	0.5
98.06789	0.5
103.05476	5.3
105.07037	11.9
107.04955	1.5
107.08601	1.1
108.70338	0.4
109.02859	1.6
109.06555	0.8
109.10146	0.8
115.05461	1.4
117.07031	0.5
118.04167	14.0
119.04949	5.7
119.08547	0.5
120.05734	1.3
121.06514	1.7
121.10159	0.5
122.07308	1.5
123.08087	0.6
124.05218	4.8
131.04907	1.4
132.05692	0.7
133.02829	0.7
133.06505	18.3
134.07269	1.5
134.89069	0.4
135.04420	1.6
135.08067	3.1
136.05228	0.5
137.05991	5.3
139.03793	0.4
143.08620	0.5
146.03616	0.4
147.04408	5.8
149.00551	1.0
149.06001	0.9
150.06767	7.1
151.07553	4.1
161.05983	4.6
162.06749	0.8
163.03958	0.6
163.07533	0.9
165.09120	13.0
166.09486	0.5
175.07501	1.0
177.05531	0.4
177.07845	0.5
178.06262	0.5
178.09943	0.4
179.07043	2.8
193.03267	4.7
193.08621	100.0
194.08977	1.3
257.04416	0.5
282.07904	0.6
297.30832	0.4
298.67938	0.5
323.12814	2.8
343.15662	0.5
355.15283	1.2
386.83774	0.5
414.10297	0.5
490.53058	0.4
494.16238	0.6
495.13214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01865	4.0
55.05518	9.6
57.03440	2.3
57.07068	2.1
60.04530	9.3
61.02918	3.1
65.75517	1.9
67.05506	9.9
69.03419	8.5
69.07066	17.9
70.06598	4.2
71.04995	6.0
71.29391	2.9
72.08145	6.1
73.02927	2.3
74.88516	2.0
79.05484	5.6
81.03421	6.4
81.07047	16.6
83.08608	8.0
85.02901	19.6
87.00814	7.3
87.96190	2.1
91.05482	10.6
91.63397	2.1
93.07048	18.9
94.07457	2.7
95.04953	5.9
95.08613	26.4
95.39120	1.9
97.02883	12.7
97.06529	16.8
99.04472	6.6
105.01862	8.8
105.07018	9.3
107.04922	1.8
107.08597	21.9
109.02886	7.1
109.06512	8.9
109.10159	26.9
111.08054	3.9
111.11736	2.8
115.07570	7.3
117.06985	2.5
119.08582	16.9
120.08076	2.5
121.10175	14.2
123.08066	8.6
123.11703	10.2
125.09669	3.2
127.03923	10.9
127.11178	4.1
131.04935	2.8
133.10132	38.5
135.07999	2.8
135.11691	32.3
137.05977	7.8
137.09619	8.3
145.04967	4.4
147.11688	4.3
149.13245	12.0
153.12785	4.5
159.02933	2.6
163.07564	3.1
175.14832	57.7
177.05505	5.8
177.16399	6.2
193.15883	67.1
194.16255	2.9
200.29657	2.0
211.16934	100.0
213.63925	2.0
231.04936	2.5
289.20541	2.3
314.26923	3.0
332.27933	8.6
423.20197	2.7
459.21835	2.2
494.32730	5.5
494.75925	2.9
495.12439	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
53.03938	0.7
55.01881	0.7
55.05519	0.9
56.05038	0.5
57.03431	1.1
65.03934	0.7
66.04716	1.1
66.64481	0.4
67.05498	1.4
69.03431	0.7
69.07071	0.7
70.06586	1.0
70.28465	1.1
71.04990	0.4
72.08151	0.5
75.04451	0.5
79.05504	4.5
81.03418	1.1
81.07053	2.5
83.04985	0.6
85.02913	1.4
87.00757	0.3
88.04016	0.4
90.04716	0.5
91.05491	4.9
92.40018	0.5
93.07049	1.3
94.04169	0.4
95.04974	1.5
95.08590	1.0
97.02905	1.2
97.06520	0.7
99.04441	0.5
103.05469	5.0
104.06274	0.5
105.07040	12.6
107.04965	1.8
107.08587	0.8
108.04521	0.6
108.05762	0.6
109.02890	2.2
109.06540	1.8
109.10210	0.6
115.05459	0.8
117.07014	0.8
118.04171	14.3
119.04961	5.0
119.08569	1.2
120.05701	1.2
121.06499	1.5
121.10138	1.0
122.07236	0.6
123.04435	0.6
123.08104	0.9
123.11726	0.6
124.05226	5.0
127.03957	0.5
131.04973	1.1
132.05754	0.7
133.06502	19.0
133.10129	0.6
134.07263	1.5
135.04443	1.8
135.08075	3.1
135.11613	0.6
137.05991	4.6
137.09531	0.4
147.04410	6.2
147.08066	0.5
149.05992	0.9
150.06775	6.6
150.07910	0.6
151.07549	3.4
153.01909	0.5
161.06004	4.1
162.06755	0.4
163.07545	1.0
163.11205	0.3
165.05565	0.4
165.09126	11.6
165.12816	0.7
165.99464	0.4
177.09207	0.5
178.00803	0.5
178.06299	0.6
179.07022	3.5
193.03256	3.9
193.08623	100.0
194.08958	1.5
211.16864	0.5
211.57906	0.4
229.14342	1.3
257.04456	1.6
267.97614	0.4
286.04858	0.5
323.12781	3.1
355.15414	1.0
374.14560	0.4
494.28680	0.6
495.12723	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	494.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
53.03947	1.8
55.01878	0.9
57.03434	0.7
58.06597	0.9
65.03940	6.5
67.05495	1.4
69.03450	3.8
69.40466	1.1
69.40870	4.3
70.06599	5.5
70.29887	0.6
72.08146	2.4
73.02909	0.8
79.05502	5.2
80.05012	1.4
81.03416	10.8
81.05791	1.0
82.06561	0.7
83.04959	0.8
84.08147	2.1
85.02905	5.2
88.03994	1.7
89.03915	3.8
91.05505	2.8
92.05006	5.3
93.03380	1.0
93.07043	0.9
94.06582	1.1
95.04989	5.0
96.08126	4.7
97.02910	4.9
98.21478	1.3
99.04464	1.3
106.06564	29.1
107.04967	6.4
108.08125	8.0
109.02868	4.0
109.05260	1.1
110.06068	1.0
110.07157	2.0
111.04475	6.1
116.07085	1.0
117.03365	4.8
119.08632	0.6
120.08105	2.6
121.02875	100.0
122.03197	0.7
122.06078	1.4
123.04395	1.5
123.06815	3.5
123.26745	0.6
124.03921	0.6
124.07596	17.9
127.03895	3.1
130.06560	0.9
134.06029	17.9
135.04419	21.2
135.08055	0.9
136.07596	2.4
137.02278	0.6
137.05952	1.3
138.05475	0.6
138.09140	1.1
139.03902	21.4
140.07156	0.5
143.83395	0.6
145.02855	8.5
145.04936	0.8
146.86485	0.6
147.04471	0.8
148.07579	1.4
151.06308	1.0
152.07076	52.0
153.07724	0.6
160.07610	0.8
163.03917	69.0
164.04297	0.8
164.07077	0.7
165.09070	1.1
166.08650	40.0
166.73082	0.6
170.08134	35.8
176.06979	0.8
181.04973	10.6
183.10201	0.8
212.09181	78.9
213.09464	1.1
222.09395	0.7
242.08002	0.6
250.08575	1.0
265.07071	7.6
268.09616	3.1
268.93533	0.6
283.08109	2.9
296.09158	2.1
302.10345	1.4
307.08133	2.1
314.12527	1.8
325.09167	1.3
332.13507	5.9
374.14496	1.9
458.14398	1.1
476.15497	15.0
494.16531	35.7
495.17258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3162
Annotation	24(28)-Dehydromakisterone A
Peak:m/z	Relative Intensity
53.03945	2.0
55.01868	2.1
55.05515	16.5
57.03425	4.2
57.07059	3.1
64.53310	1.1
65.03914	1.8
67.05180	1.5
67.05507	20.3
69.03437	6.6
69.07076	17.1
70.06590	3.1
70.15855	4.6
71.04996	2.4
72.08148	2.9
79.05497	14.6
81.03420	9.0
81.07064	37.4
83.01329	1.3
83.04989	5.4
83.08624	9.1
84.52520	1.2
85.02907	2.9
85.06540	2.9
91.05483	14.4
93.07044	18.7
95.01334	1.3
95.04978	8.2
95.08607	28.1
97.02897	2.9
97.06529	5.3
97.10179	7.4
98.20799	1.1
99.00822	8.6
99.04443	4.1
105.07048	13.2
107.04948	5.5
107.08595	15.6
109.02880	2.4
109.06496	4.0
109.10169	17.6
110.10513	1.2
111.04442	2.6
111.08079	2.7
113.02395	2.0
117.06992	3.6
119.04916	1.2
119.08604	9.5
121.06506	4.2
121.10152	7.0
123.04408	2.0
123.07996	1.9
123.11730	10.0
125.05964	2.3
125.09660	2.9
127.03930	3.0
129.07054	2.4
131.08560	5.3
133.06488	2.7
133.10155	8.5
135.04388	2.0
135.08044	2.5
135.11713	6.7
137.05930	5.8
137.09628	1.9
137.13257	3.2
139.03903	1.8
139.07533	1.5
139.11197	1.3
142.07800	1.6
143.08556	3.9
143.90758	1.1
145.06442	1.7
145.10114	7.6
147.08044	2.1
147.11687	5.1
149.02333	1.7
149.05952	2.0
149.09589	2.4
149.13274	2.2
151.03958	1.2
151.07524	3.5
151.11172	1.9
153.05478	4.0
155.07083	1.4
155.08453	1.6
157.10165	3.8
159.08054	2.2
159.11678	3.4
161.05972	1.6
161.09683	2.2
161.13272	2.1
163.03893	4.0
163.07503	3.1
163.11145	6.0
165.05502	2.6
165.09135	1.8
165.12698	1.4
169.10129	1.6
171.08043	3.5
171.11688	1.7
175.07564	3.3
175.11203	3.1
175.14815	1.7
177.05472	9.0
177.09102	2.2
179.07062	1.5
181.04980	15.1
181.12265	1.9
183.06497	5.6
183.07974	1.5
183.11803	1.3
187.07541	2.0
189.09109	20.4
189.12694	1.5
191.07008	1.9
191.10683	4.5
193.12224	4.0
193.15849	1.3
195.06551	31.9
197.09685	1.8
203.10706	2.6
205.08542	1.5
205.12201	1.6
207.06564	2.5
209.06255	1.7
209.08083	13.2
209.11510	1.2
210.44142	1.2
211.11327	1.3
211.13260	2.7
213.12740	1.2
217.12392	1.6
221.08101	1.8
223.09639	17.8
227.12852	6.0
229.12447	1.6
231.10059	1.9
235.09682	3.4
237.11246	19.2
249.11223	14.0
251.12790	5.1
255.06503	2.1
263.12714	4.5
265.14365	3.1
267.15909	4.5
275.13007	1.3
275.20096	1.6
277.14215	1.6
277.25266	1.2
283.15347	1.7
291.15881	1.8
303.16006	1.3
305.17264	1.9
307.19009	2.1
317.17520	1.5
319.18982	2.6
365.20822	1.3
383.21909	2.0
401.23465	2.0
429.29822	5.3
431.26089	2.8
439.28223	2.7
457.29623	37.1
475.30670	100.0
476.31006	3.4
493.32089	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	493.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01853	0.7
55.05484	1.8
57.03424	0.4
65.03941	0.4
66.19011	0.4
66.64835	0.4
67.05517	2.2
69.03414	0.7
69.07043	1.3
69.95846	2.0
71.04958	0.6
72.08140	0.5
79.05499	2.8
81.03374	1.4
81.07071	2.6
83.04963	0.7
83.08597	1.3
83.29794	0.4
85.02854	0.6
91.05489	4.1
93.07038	2.5
95.04951	1.7
95.08566	1.9
97.02869	0.5
97.10148	0.6
99.95167	0.4
102.04670	0.8
103.05489	3.3
105.07028	5.2
107.04931	1.6
107.08555	1.5
108.87222	0.4
109.02859	0.4
109.06461	0.5
109.10126	1.3
115.05455	0.7
117.07013	1.1
117.37243	0.5
118.04180	2.6
119.04961	0.8
119.08578	1.0
121.06509	3.0
121.10145	1.0
123.00829	3.6
123.08128	0.5
123.11675	0.7
128.06209	1.3
129.06978	0.7
130.04124	1.3
131.04939	3.7
131.08563	0.7
132.05679	1.5
133.06508	4.1
133.10101	1.3
134.03645	0.4
135.04381	1.7
135.08014	0.5
135.11627	0.8
137.02353	0.5
137.05981	0.8
140.04701	0.5
141.06941	0.5
145.06490	0.5
145.10097	0.8
147.00627	0.4
147.04393	0.9
147.11685	1.2
148.05180	1.0
149.05928	1.6
149.13243	0.6
152.01074	2.2
153.05472	1.0
153.09068	0.5
156.05690	0.5
159.11627	0.7
161.06010	4.3
163.03864	0.6
163.11156	0.8
167.07022	1.3
168.05685	0.5
169.06419	0.5
170.02148	0.6
171.06668	0.5
171.08069	8.4
176.04655	2.3
177.05547	2.1
178.06264	0.5
181.06552	0.8
183.08037	1.5
184.05197	1.5
191.07024	4.7
192.07732	0.8
193.08586	2.1
193.12282	0.7
195.04436	0.4
196.05220	0.7
199.07494	0.7
209.06009	3.4
211.07527	1.3
212.04745	1.4
213.05498	0.9
223.04012	1.1
229.08572	2.0
239.03296	0.5
240.04231	1.8
240.07828	2.4
241.04965	0.7
242.05910	0.8
253.05110	0.7
255.06540	100.0
256.07074	2.2
268.07376	0.8
269.04486	0.7
269.07986	0.8
270.05225	0.6
283.06033	37.8
284.06827	8.4
285.07599	19.0
313.07230	0.5
463.13916	5.4
475.13919	35.1
476.14304	0.8
493.14990	48.3
493.27444	1.6
494.15121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	11.9
62.95780	5.0
67.05510	15.2
69.03420	8.6
69.07068	21.4
69.91083	21.8
72.94496	5.1
79.05506	10.5
81.07062	28.4
83.08620	12.8
85.06580	4.9
91.05470	8.0
93.07040	25.6
95.08613	32.3
97.06559	6.1
103.84289	5.7
105.07042	21.1
107.08606	46.4
109.06515	8.2
109.10152	42.4
111.08044	10.0
117.77201	5.4
119.08574	31.1
119.37635	4.7
121.10123	26.7
123.08095	5.4
125.09615	13.3
131.08650	7.2
133.10135	20.1
135.11714	20.5
139.11273	5.9
145.10147	10.7
147.04506	4.7
147.11650	23.4
149.13249	8.2
153.12741	5.3
159.11757	15.5
161.13225	10.1
165.12788	30.7
171.11711	8.2
173.13339	9.8
175.14828	5.0
175.55544	5.0
179.92630	5.5
187.14813	12.3
193.12369	12.5
199.15100	6.5
201.16425	18.1
203.17993	23.9
204.56526	5.2
213.16457	8.5
227.17975	12.1
230.72087	5.1
249.18591	15.7
255.21280	5.3
269.22656	20.9
305.24826	10.5
305.64670	5.8
311.39917	6.6
403.33554	24.5
421.34689	72.1
439.35971	24.9
457.36832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52664	3.8
51.18906	4.0
53.03943	7.8
55.01867	6.6
55.05505	13.5
57.03440	10.0
67.05499	17.9
69.03425	28.1
69.07076	13.6
69.90146	18.7
70.06589	22.9
71.04990	10.0
72.08170	12.1
79.05488	11.7
81.03411	17.5
81.07059	35.0
83.04977	15.0
84.04568	5.3
84.08144	9.3
85.02910	46.8
86.09715	7.3
87.00833	13.9
91.05472	24.1
93.07035	27.2
95.04973	17.4
95.08598	26.8
97.02923	21.6
97.06512	6.3
98.20776	4.1
99.04468	10.9
99.77480	3.8
100.07612	4.2
105.01852	13.1
105.07029	37.5
107.08586	40.2
109.02887	20.0
109.06501	9.9
109.10162	27.3
111.08083	6.4
115.08664	3.8
116.07116	5.4
117.07031	6.1
117.33652	3.9
119.08562	34.0
120.08141	10.8
121.06524	4.3
121.10152	31.3
123.08121	11.7
123.11709	9.5
125.06059	4.3
125.09612	6.8
127.03922	28.0
127.11147	6.8
131.08531	9.3
133.10155	25.3
135.08092	6.0
135.11684	13.1
137.05989	10.5
137.09631	11.4
139.11153	7.4
143.72064	3.9
145.04976	10.0
145.10121	12.9
147.04431	11.1
147.11711	8.0
149.13268	16.6
151.03903	6.5
151.07628	4.2
151.11174	28.1
153.09082	5.0
159.02933	6.7
161.13264	46.4
163.14819	11.5
165.09023	4.5
165.12758	5.3
171.11755	4.2
173.13269	17.8
177.05473	7.7
179.14313	6.8
191.14320	100.0
206.04485	4.7
209.15356	41.2
227.16443	80.8
227.18529	7.6
245.17511	4.2
305.94055	4.0
492.16974	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	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52664	3.8
51.18906	4.0
53.03943	7.8
55.01867	6.6
55.05505	13.5
57.03440	10.0
67.05499	17.9
69.03425	28.1
69.07076	13.6
69.90146	18.7
70.06589	22.9
71.04990	10.0
72.08170	12.1
79.05488	11.7
81.03411	17.5
81.07059	35.0
83.04977	15.0
84.04568	5.3
84.08144	9.3
85.02910	46.8
86.09715	7.3
87.00833	13.9
91.05472	24.1
93.07035	27.2
95.04973	17.4
95.08598	26.8
97.02923	21.6
97.06512	6.3
98.20776	4.1
99.04468	10.9
99.77480	3.8
100.07612	4.2
105.01852	13.1
105.07029	37.5
107.08586	40.2
109.02887	20.0
109.06501	9.9
109.10162	27.3
111.08083	6.4
115.08664	3.8
116.07116	5.4
117.07031	6.1
117.33652	3.9
119.08562	34.0
120.08141	10.8
121.06524	4.3
121.10152	31.3
123.08121	11.7
123.11709	9.5
125.06059	4.3
125.09612	6.8
127.03922	28.0
127.11147	6.8
131.08531	9.3
133.10155	25.3
135.08092	6.0
135.11684	13.1
137.05989	10.5
137.09631	11.4
139.11153	7.4
143.72064	3.9
145.04976	10.0
145.10121	12.9
147.04431	11.1
147.11711	8.0
149.13268	16.6
151.03903	6.5
151.07628	4.2
151.11174	28.1
153.09082	5.0
159.02933	6.7
161.13264	46.4
163.14819	11.5
165.09023	4.5
165.12758	5.3
171.11755	4.2
173.13269	17.8
177.05473	7.7
179.14313	6.8
191.14320	100.0
206.04485	4.7
209.15356	41.2
227.16443	80.8
227.18529	7.6
245.17511	4.2
305.94055	4.0
492.16974	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	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11385	0.3
53.03952	0.5
55.01879	0.5
55.05512	3.3
55.40788	0.3
56.75141	0.3
57.03431	0.6
59.04991	0.4
60.36626	0.3
61.02919	0.5
61.43238	0.3
63.37221	0.3
64.00256	0.4
65.03931	1.2
67.05511	2.9
69.03427	2.9
69.07060	1.1
70.06598	0.8
70.91043	1.0
71.04991	4.6
72.08158	0.5
73.02924	0.6
76.93330	0.3
79.05488	1.3
81.03418	3.2
81.07062	2.3
81.39738	0.4
83.04984	3.3
83.08618	2.7
85.02905	5.0
85.06550	1.6
87.00834	2.3
89.83687	0.4
91.03983	0.5
91.05486	1.5
93.07053	2.4
95.04971	100.0
95.08621	1.1
96.05322	0.5
97.02908	2.4
97.06541	1.2
97.10136	0.5
98.29829	0.4
99.04459	18.6
105.01881	1.4
105.07053	1.5
107.05020	0.4
107.08581	2.9
108.08864	0.4
109.02222	0.4
109.02877	1.9
109.06512	1.6
109.10143	2.1
111.08085	1.7
115.07574	0.5
117.01792	0.4
119.04958	0.4
119.08597	1.3
121.06532	0.5
121.10129	1.8
123.08083	0.8
123.11643	0.5
124.07616	0.4
125.06020	1.0
125.09641	1.3
127.03896	2.3
131.08585	1.6
133.10139	6.4
135.08064	1.5
135.11732	0.5
137.05989	1.0
137.09648	0.7
139.11198	1.9
145.04950	0.8
145.10106	0.9
147.04411	0.8
147.11684	1.0
148.07469	0.5
149.05974	0.5
149.09633	1.2
149.13336	1.3
151.11180	5.7
153.09109	25.9
154.08598	0.8
157.10150	0.5
159.02899	0.9
159.11646	0.5
161.13242	0.4
163.07416	0.4
163.14909	0.4
165.09177	0.6
165.53047	0.4
166.08659	1.2
167.07082	0.6
167.14316	4.2
169.12347	1.1
171.10233	0.4
173.13268	3.6
175.26227	0.4
177.05524	0.5
181.12236	2.5
189.03940	1.9
191.14299	3.8
209.15370	38.2
210.15710	0.6
227.16495	1.2
231.25995	0.4
233.15384	0.7
241.12286	0.4
251.16505	0.7
252.51697	0.4
317.17493	0.7
421.18842	0.7
439.19870	0.7
457.20813	3.0
474.37808	0.5
492.30182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26502	4.3
55.05504	12.3
61.91829	5.2
64.18857	4.4
67.05482	6.2
69.03436	16.8
69.44233	27.9
72.44627	5.0
78.85565	3.8
80.11622	3.8
81.03410	6.1
81.07072	10.6
83.04955	11.9
83.08609	8.6
85.02919	16.5
87.00815	10.8
93.07045	8.2
95.04972	53.3
97.02894	7.1
97.06530	4.2
99.04462	21.1
103.10263	4.5
105.01883	11.4
105.07034	10.5
107.08614	11.6
109.02894	7.5
109.06528	14.3
109.10159	18.0
119.08609	7.4
121.10137	16.4
127.03909	17.6
131.08600	5.6
133.10126	32.9
140.40437	4.5
151.11174	12.9
153.09146	21.0
159.02959	4.4
167.14355	17.0
173.13239	17.8
175.14857	6.3
191.14352	15.9
209.12357	5.3
209.15376	100.0
227.16466	6.4
231.04994	5.8
404.04446	4.7
408.53293	4.2
430.10071	4.4
462.32419	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	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.5
55.01863	1.9
55.05512	7.9
56.05010	0.9
57.03434	1.9
59.05001	1.5
61.02927	1.4
65.03925	1.1
67.05510	3.7
68.99775	1.5
69.03435	8.1
69.07073	2.4
70.06594	4.5
70.94904	1.1
70.95217	1.1
71.04986	4.6
72.08122	1.5
73.02905	2.1
79.05488	2.8
81.03424	6.6
81.07065	5.1
83.04990	6.4
83.08630	6.0
84.08141	1.5
85.02908	17.8
85.06535	1.9
85.43906	0.8
86.09689	1.8
87.00833	6.1
91.05475	2.9
93.07059	4.7
95.04975	56.9
95.08604	3.1
97.02898	7.2
97.06531	4.9
99.04462	20.1
99.08074	1.6
100.91013	0.9
105.01876	6.4
105.07045	3.9
107.08598	6.7
109.02869	5.6
109.06539	6.3
109.10175	8.9
111.08081	2.2
115.07586	0.8
117.07097	1.0
119.04955	4.3
119.08586	3.6
121.10142	5.7
123.11720	1.1
124.03961	1.2
125.09638	1.2
125.83857	0.8
127.03931	10.8
127.07610	1.1
131.08542	2.3
133.10147	12.6
135.08063	2.4
135.11723	1.6
136.07666	0.9
137.05989	2.5
145.04985	3.9
145.10097	1.8
147.11707	5.9
149.13254	3.2
151.11203	8.1
153.09116	20.9
153.38797	0.8
159.02890	3.4
163.03903	1.5
163.14864	1.2
165.12840	1.5
166.05081	0.8
167.14319	8.1
171.10158	1.5
173.13229	7.0
175.14853	1.3
177.08882	0.8
190.32959	0.9
191.14302	7.8
209.15382	100.0
210.15739	2.3
212.09180	3.2
227.16426	18.5
231.05043	2.4
267.18686	0.9
294.24326	1.4
331.08545	1.4
374.70969	0.9
457.20938	1.3
474.14011	2.8
492.18292	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
53.60263	0.9
55.05503	2.7
57.03434	1.9
57.07051	1.5
58.99595	1.3
61.02901	2.1
67.05510	2.4
68.25990	1.0
69.03430	47.1
69.07056	3.5
70.06602	8.9
71.04978	2.1
71.55328	1.9
72.08145	3.3
73.08492	1.1
76.02211	4.6
79.05480	3.7
81.03403	2.5
81.07063	5.5
83.04958	2.9
83.08596	1.2
84.04501	1.5
84.08127	3.2
85.02914	12.4
85.06532	1.7
86.09690	2.0
86.99031	1.1
87.04464	3.2
91.05480	9.4
93.07059	6.5
95.04967	2.8
95.08589	7.3
97.02889	8.2
97.06525	3.4
99.04477	1.2
105.00107	2.2
105.07022	4.1
107.04937	3.7
107.08601	11.8
109.02866	2.2
109.06529	6.1
109.10140	3.4
111.08070	2.6
115.03918	4.8
116.07085	1.3
116.64651	1.0
117.03342	1.5
119.04945	12.4
119.08552	4.4
120.04494	2.8
120.08104	2.2
120.52026	1.0
121.06487	2.8
121.10143	13.9
122.02730	21.5
123.04407	4.5
123.08064	3.8
123.11726	6.7
124.03944	1.4
125.09634	18.5
127.03918	2.8
131.08589	5.1
133.04967	3.8
133.10150	5.5
135.04427	5.1
135.08075	9.7
135.11662	5.5
136.07643	1.2
137.05995	7.0
137.09692	1.2
138.05499	1.1
139.03883	3.2
139.69424	1.1
145.02850	3.7
145.04930	3.0
145.10081	2.8
147.04411	4.8
147.11638	4.0
148.07503	2.4
149.08388	1.7
149.09578	9.5
149.13277	2.9
150.09100	2.2
151.11206	1.3
151.79933	1.0
153.09109	5.0
157.06502	1.1
158.10878	2.9
161.05974	1.3
163.03915	27.4
163.11130	2.1
163.14819	6.1
165.05476	1.7
165.12752	3.3
167.05225	1.2
167.10660	2.6
173.13266	21.2
175.03871	1.5
177.05478	1.7
181.04959	15.0
187.03867	1.3
191.14308	74.2
196.88367	1.1
197.10097	0.9
205.04985	2.1
209.15370	100.0
210.15773	1.4
213.05470	3.0
223.11526	5.0
231.06602	5.1
241.08679	2.4
241.12599	6.3
259.06018	7.1
265.06909	1.7
268.13306	2.0
277.06989	3.9
283.09637	1.3
295.08176	2.5
314.13852	1.5
330.17386	7.8
342.13290	1.3
446.14316	3.8
492.14313	10.4
492.18887	2.3
492.21216	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	492.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41407	0.5
51.35213	0.7
53.03940	1.1
55.01866	2.2
57.03448	4.1
58.98565	0.6
59.05011	0.7
60.04554	0.7
61.02922	2.8
65.03947	1.2
69.03431	8.0
69.07068	1.3
69.55514	4.1
70.06605	3.2
71.05003	0.7
72.08140	1.5
73.02559	1.0
73.02925	14.6
79.05475	0.7
80.24552	0.6
81.03428	1.8
81.07033	0.9
84.04501	0.9
84.08167	1.1
85.02425	1.2
85.02912	15.0
87.04466	1.5
91.05499	1.0
93.07063	1.5
95.04973	1.9
95.08598	1.0
97.02905	11.3
97.06560	0.8
99.04457	1.7
105.07024	0.8
107.04948	0.8
107.08604	1.6
109.02892	1.7
109.06530	1.7
113.06106	0.6
115.03955	4.1
119.08577	1.0
120.08102	1.2
121.02909	1.8
121.10157	1.8
123.11735	0.7
126.05482	0.9
127.03928	5.1
128.48224	0.7
131.08595	1.9
133.02834	2.1
133.04953	4.0
133.10129	1.6
135.04439	2.0
135.08043	0.9
135.11734	0.8
137.06003	0.7
144.06609	1.5
145.04971	3.7
147.04358	0.9
147.11739	0.9
149.02356	100.0
149.09630	1.1
149.13341	0.8
150.02766	0.8
156.06567	0.7
157.04858	0.6
162.07655	1.4
163.03922	76.2
164.04294	0.9
167.03490	0.9
173.13290	3.0
181.04979	49.1
186.79185	0.6
191.14322	9.9
206.04723	0.8
209.15356	7.0
223.05959	0.7
227.16464	0.9
330.17474	1.0
331.07971	1.3
332.99670	0.6
440.61334	0.7
471.60565	0.6
492.23364	0.7
492.31641	1.0
493.26462	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66525	2.2
54.92850	2.6
55.01872	4.0
56.92412	2.4
57.03424	4.2
69.03419	6.9
70.06604	6.1
71.54874	3.8
72.08154	6.3
72.73475	2.6
73.02898	2.9
79.19250	2.4
81.03416	2.6
84.58428	2.4
85.02904	20.3
86.03545	5.2
97.02890	8.5
103.03910	3.4
109.02902	3.2
116.07110	3.7
123.04440	14.2
126.66051	2.7
127.03870	7.6
131.04970	3.9
135.04378	9.6
137.02328	4.8
139.03899	6.5
143.04927	12.0
145.02850	3.9
145.04993	3.4
147.04413	17.9
149.06143	2.6
157.06499	4.3
161.06007	27.5
163.03908	100.0
163.07425	5.1
165.05455	5.8
171.04355	3.4
173.05954	4.5
175.03926	8.1
175.07506	4.3
177.05457	10.1
181.04955	6.7
182.74973	2.7
185.05933	3.2
187.03957	4.2
189.05470	32.2
193.04958	35.1
199.03912	3.5
201.05498	4.5
203.07050	4.4
205.04950	5.3
207.06404	6.6
213.05478	19.2
215.07095	4.3
217.04945	13.4
229.05083	2.7
231.06535	14.7
235.06006	37.9
247.06044	4.3
249.07761	4.1
258.08484	3.0
259.05988	22.3
277.07013	21.4
278.11484	4.6
295.08121	93.0
327.40186	2.9
364.98370	2.8
407.15338	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	491.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57064	0.4
52.72044	0.4
53.03935	0.5
53.38285	0.4
54.44437	0.4
55.01865	0.8
55.05260	0.6
55.05514	9.0
57.03437	2.8
57.07068	1.4
65.03938	1.2
65.62625	0.4
67.05175	0.8
67.05509	10.9
68.82837	0.4
69.07069	11.0
70.69052	1.0
70.69397	0.5
71.05003	0.7
71.08625	0.5
74.97954	0.4
79.05495	4.8
81.07061	12.5
83.04988	0.5
83.08154	0.4
83.08624	5.9
84.54214	0.3
85.02919	0.5
85.06541	0.8
91.04906	0.7
91.05479	12.9
93.07053	6.4
95.04980	0.6
95.08611	12.1
97.06535	1.6
97.10168	4.6
99.08073	0.6
105.07047	2.4
107.08596	3.2
109.10162	5.8
111.08073	0.7
111.11726	2.5
119.04948	25.0
119.08602	2.4
121.10142	4.6
123.08107	0.6
123.11714	1.7
125.09660	0.8
125.13304	0.8
131.08557	0.5
133.10152	2.0
135.11684	4.2
137.09605	0.9
137.13258	1.5
139.11177	1.7
145.10143	0.6
147.04414	100.0
147.11642	2.2
148.04782	0.5
149.13261	1.3
151.11171	0.6
151.14766	0.8
153.12741	1.1
161.13283	3.1
165.05475	10.0
165.12723	0.9
173.13235	0.4
175.14842	1.5
179.14307	0.8
187.66553	0.4
189.16344	0.5
189.89497	0.4
193.15970	0.5
193.19611	0.5
197.48445	0.4
215.80469	0.4
217.19496	4.0
221.08127	0.5
235.20583	4.7
253.21642	1.7
291.23288	0.5
297.25870	0.9
298.25620	0.5
309.24136	2.7
327.25302	17.1
491.30185	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3006
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03954	1.4
55.01852	1.1
55.05299	0.6
55.05514	7.5
57.03418	0.9
65.03939	0.9
67.05506	10.9
69.03424	3.3
69.07072	6.6
70.06570	0.7
70.65282	0.6
71.04990	1.9
72.71442	0.7
77.71744	0.6
79.05488	7.2
81.03409	1.8
81.07062	17.8
83.01331	2.1
83.04974	2.1
83.08624	2.8
85.06535	1.1
91.05502	5.6
93.07054	14.0
95.04955	2.5
95.08614	18.9
97.02900	2.1
97.06521	2.3
97.10175	1.6
98.20730	1.7
99.00821	7.7
99.04473	5.7
99.08109	1.1
105.07043	6.2
107.04944	1.1
107.08593	11.4
109.02895	1.8
109.06507	2.7
109.10164	8.8
111.04416	1.4
111.08066	1.6
113.02346	1.4
117.01871	0.7
117.07005	2.3
119.08576	3.7
121.06493	1.9
121.10162	8.4
123.04414	0.9
123.08047	2.4
123.11711	4.5
125.05968	2.0
125.09621	2.0
127.03909	0.8
129.07002	1.1
131.08553	2.8
133.06505	0.8
133.10138	4.4
135.04376	1.1
135.08029	1.1
135.11684	5.9
137.05974	2.7
137.09663	1.2
139.07512	1.4
143.08527	1.6
145.10114	5.2
147.08046	0.7
147.11710	2.7
149.02333	0.9
149.05991	2.2
149.09595	2.9
149.13257	1.5
151.07555	2.8
151.11201	1.0
153.05484	3.6
155.07051	2.0
157.10098	1.3
159.08028	1.6
159.11694	2.9
161.05988	1.1
161.09619	1.9
161.13237	1.3
163.03873	2.0
163.07545	2.0
163.11226	3.9
163.14842	2.6
165.09077	2.2
167.06955	1.0
167.10674	1.0
171.08049	2.5
173.13315	1.2
175.07552	3.2
175.11205	1.4
177.05446	7.5
177.09123	2.7
179.06950	0.9
181.04951	12.2
183.06532	3.7
187.11188	0.8
187.14844	1.2
188.81276	0.9
189.09126	14.8
191.07088	2.1
191.10649	1.4
193.12201	0.9
195.06543	27.0
199.11205	0.9
199.53242	0.7
201.16431	1.1
203.10667	2.9
205.08592	1.1
207.06522	1.8
209.08115	9.3
209.11569	1.0
219.10257	0.9
221.08080	1.8
223.09650	15.2
227.12775	3.1
231.10225	0.9
231.13718	1.3
235.09612	2.8
237.11218	13.3
249.11244	16.5
251.12782	2.9
261.11197	2.0
263.12921	4.9
265.14362	0.8
275.12772	1.5
277.14453	2.0
289.14487	1.8
291.15839	2.4
293.17596	0.9
299.00262	0.8
301.14670	0.8
303.16006	1.5
305.17413	1.2
307.19095	1.6
317.17581	1.5
359.21957	0.8
427.28156	1.0
437.26898	1.8
455.28174	3.5
459.27359	0.8
473.29028	100.0
474.29309	2.5
491.30157	43.5
492.30081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87896	0.2
53.03932	0.6
55.01877	0.5
55.05266	0.3
55.05513	5.8
57.03442	2.2
57.07070	0.7
65.03933	0.9
67.05509	8.0
69.03456	0.3
69.07069	8.1
69.53763	0.2
70.06586	0.3
71.04990	0.6
72.25353	0.2
79.05495	3.3
81.06579	0.5
81.07058	10.1
81.16911	0.3
83.04978	0.5
83.08621	4.5
85.06528	0.7
91.05484	10.4
93.07047	3.8
95.04943	0.7
95.08607	9.1
97.06541	1.4
97.10165	3.7
97.53558	0.3
99.08115	0.5
105.07042	2.5
107.04942	0.4
107.08587	2.0
109.06540	0.3
109.10152	4.8
111.08084	0.9
111.11713	1.3
117.07037	0.2
119.04946	20.3
119.08596	2.4
121.10141	3.4
123.11727	1.2
125.09608	0.5
125.13260	0.3
129.05521	0.5
131.08527	0.4
133.10144	1.7
135.11702	3.3
137.09621	0.5
137.13235	0.7
139.11191	0.5
147.04414	100.0
147.11667	1.2
148.04741	0.6
149.13264	0.8
151.11128	0.4
151.14801	0.4
153.12769	0.8
161.13251	1.1
165.05486	13.6
165.12735	0.5
165.57321	0.3
173.13261	0.3
175.14845	0.4
179.14252	0.7
217.19551	2.3
221.08089	0.9
229.39932	0.3
235.20511	2.9
253.21704	0.8
309.24222	1.9
327.25299	15.2
381.26202	0.4
473.28751	0.8
491.29309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60037	1.5
53.03949	1.7
55.01876	2.2
55.05523	2.0
57.03426	3.0
59.04994	3.8
62.87381	1.8
65.03915	2.0
67.05492	4.1
69.03442	11.7
69.07053	2.1
70.06599	9.6
71.04198	2.1
71.04543	2.3
71.05000	3.0
72.08153	12.2
73.02921	10.1
74.14075	1.9
79.05497	2.2
81.03420	5.2
81.07059	3.3
81.80092	1.5
83.04998	3.3
84.04498	3.5
84.08140	5.7
85.02904	13.2
87.00822	1.8
89.06021	4.5
91.05471	6.8
93.07043	7.9
95.04986	3.3
95.08622	2.2
97.02886	10.0
99.04451	5.9
100.07638	1.7
105.07020	5.5
107.08598	14.5
109.02866	5.2
109.06509	3.0
109.10159	3.8
110.07137	1.6
112.07487	1.9
115.03915	4.4
116.07099	3.0
119.04933	3.0
119.08563	4.7
120.08091	9.2
121.06512	3.7
121.10152	3.0
123.04419	3.9
123.11717	1.9
127.03910	7.1
129.10254	2.6
133.04964	3.6
133.10155	11.0
135.04381	2.2
135.08058	2.2
135.11693	15.1
136.07504	2.8
137.06001	2.1
137.09586	3.0
145.04977	4.7
147.04439	8.6
148.04776	2.4
149.02359	42.2
149.09627	2.1
161.09608	9.4
161.13292	3.1
163.03918	46.5
165.09106	1.8
177.05417	2.6
179.10678	22.8
181.04979	22.9
183.06717	2.7
184.06122	2.6
191.14398	2.6
197.11740	100.0
198.11971	3.2
207.06447	2.7
208.06866	4.9
209.15372	3.9
219.14952	2.6
225.07355	1.7
225.14815	4.5
227.10226	5.7
239.11784	1.8
243.15892	2.2
247.14352	1.9
271.10748	2.5
283.14322	2.8
287.05652	2.6
316.14053	2.0
405.52014	1.7
491.16272	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	491.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.4
53.03951	3.2
55.01870	3.6
55.05262	1.5
55.05516	16.8
57.03439	3.0
57.07071	4.2
59.04998	1.8
60.92834	1.5
61.02903	1.9
67.05169	2.0
67.05509	19.7
69.03435	68.0
69.07072	20.1
70.06576	4.3
71.01354	2.9
71.05002	10.2
71.55654	1.9
72.08150	4.6
79.05496	11.6
81.03410	5.4
81.07066	57.8
83.04990	22.6
83.08628	3.8
85.02905	10.4
85.06566	6.2
86.09696	2.6
90.78532	1.4
91.05492	11.1
93.07052	25.6
95.04975	5.0
95.08613	36.5
97.02910	7.9
97.06538	5.6
97.10193	8.4
99.04446	2.7
99.08097	1.5
103.05493	1.5
103.73859	1.4
105.01874	1.2
105.07052	15.2
105.07705	2.3
107.04942	2.7
107.08611	24.9
109.02874	2.2
109.06513	4.1
109.10168	17.5
111.04451	17.6
111.08097	8.6
111.11714	2.7
117.07012	2.6
118.92874	1.3
119.04958	2.2
119.08585	12.9
121.06531	2.8
121.10143	14.0
123.08082	3.7
123.11710	31.9
125.05962	1.6
125.09661	3.2
127.03899	3.9
127.07581	1.5
128.68126	1.4
129.04524	2.1
129.05482	35.8
129.06943	1.5
131.08563	4.4
133.06514	1.6
133.10144	8.0
135.11710	9.9
137.02368	4.6
137.05992	5.0
137.09673	1.6
137.13271	7.5
139.11203	6.0
141.12743	2.9
143.08545	2.7
145.06567	1.9
145.10141	5.3
146.19324	1.3
147.04456	2.7
147.11710	8.5
149.09601	4.0
149.13274	20.8
151.03964	1.4
151.07590	2.3
151.11183	2.4
153.01871	4.5
153.05472	3.1
153.12755	4.4
155.14378	2.2
157.12238	2.3
159.11681	5.1
161.13268	5.0
163.03938	1.7
163.11224	2.6
163.14838	3.7
165.01952	1.6
165.09061	7.4
165.12837	1.7
167.07056	4.1
169.10141	1.8
169.12251	1.8
171.11658	1.6
171.13792	2.2
173.13298	2.0
175.07495	1.5
175.14796	3.3
177.05435	1.5
177.12770	1.7
183.02928	1.3
187.13318	5.6
187.14851	2.2
189.07600	8.5
189.09071	2.1
189.12781	1.7
189.16382	2.3
191.07034	1.7
201.05528	1.4
203.12820	1.7
217.19594	1.6
229.05049	4.1
257.04507	2.4
258.57043	1.4
269.22705	2.0
271.06030	3.6
271.11877	1.7
275.23654	2.0
287.23694	3.2
293.24780	2.8
299.05518	1.7
303.05014	100.0
304.05438	3.1
305.24716	15.3
315.04840	2.5
323.25861	3.7
329.10266	2.2
378.80917	1.8
437.25262	4.2
455.26553	2.9
473.29776	1.5
491.13229	1.8
491.29486	2.1
491.36194	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.6
55.01868	5.4
55.05502	8.3
57.03427	5.8
67.05490	14.6
68.28228	5.4
69.03434	51.9
69.07061	9.5
69.51457	30.2
70.06593	25.3
71.04998	28.2
72.08152	34.7
76.98327	4.8
79.05491	12.0
79.95338	6.6
80.70435	6.4
81.03409	31.6
81.07056	30.4
82.06613	5.5
83.04971	16.0
84.04503	9.6
84.08127	14.2
85.02908	74.6
86.09711	15.9
87.00821	19.2
87.04504	5.5
91.05470	19.7
93.07037	21.5
95.04951	15.9
95.08617	26.2
97.02897	26.8
97.06529	11.3
99.04467	24.5
99.08105	11.4
100.07595	7.6
105.01855	22.0
105.07017	21.2
107.08609	38.6
109.02878	22.4
109.06505	17.3
109.10148	17.4
111.08127	6.9
114.71143	5.2
119.04944	18.7
119.08572	17.0
121.10149	50.9
123.08072	52.9
123.11742	5.0
124.07577	6.0
127.03932	42.7
131.08607	5.4
133.10129	11.9
135.11736	8.6
136.07530	5.7
137.05960	13.7
137.09625	45.7
144.01166	6.2
145.05051	7.3
145.10138	21.5
147.04448	24.1
147.11693	32.1
148.04762	9.8
149.09618	45.8
151.07507	7.1
153.09029	8.1
154.80879	5.3
159.02914	6.5
161.13239	19.9
163.03865	9.0
163.11200	39.6
164.07008	5.4
165.12820	8.3
167.10660	8.4
171.11693	5.6
175.03816	8.4
176.04381	6.2
177.05437	6.7
179.14310	7.7
181.12233	75.5
189.12733	55.3
191.14360	5.7
207.06525	22.3
207.13792	100.0
208.06917	16.1
225.07536	9.8
225.14883	70.0
226.07951	12.4
231.04887	9.4
243.15939	42.6
273.01251	5.4
313.98688	5.2
341.14639	8.1
491.15790	24.6
491.23056	5.1
491.30646	7.3
492.14661	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	490.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.9
53.72145	7.0
55.01858	13.1
55.05518	22.2
57.03447	14.8
64.68130	6.1
67.05507	71.8
69.03431	24.9
69.07069	39.3
70.06612	10.4
71.04997	13.4
71.44350	9.6
71.44682	8.4
72.08167	12.2
78.57138	6.2
79.05502	50.9
81.03426	23.3
81.07064	100.0
83.04983	16.1
83.08624	13.9
84.04512	13.9
85.02922	24.4
85.06517	7.4
91.05488	59.6
93.07050	49.9
95.04977	17.8
95.08617	49.6
97.02906	14.7
97.06553	16.0
97.10163	12.6
99.04484	9.8
99.08099	9.0
105.07027	49.1
107.04982	19.3
107.08582	40.8
109.06544	17.4
109.10161	39.0
111.08079	13.6
115.37959	7.0
117.07053	10.9
119.08587	38.4
121.06515	11.1
121.10167	31.1
123.08096	13.7
123.11720	15.5
127.03915	19.2
129.07008	10.2
131.08583	24.0
133.10147	35.5
135.11682	34.2
137.05991	13.5
137.09593	15.3
142.60425	9.1
143.08562	7.4
145.05009	7.2
145.10127	13.9
147.04420	9.5
147.11749	24.4
149.09641	19.6
149.13281	11.5
150.09177	9.6
157.10083	12.1
159.11743	18.0
163.11206	21.8
165.09128	16.8
171.11673	8.5
173.11827	9.0
173.13179	9.4
177.16417	8.8
181.12222	24.6
193.12233	13.2
195.13837	27.3
196.09822	9.9
198.70973	8.4
202.00903	7.0
211.13321	11.9
213.14809	8.1
227.12643	7.9
235.17064	8.1
239.18057	9.0
241.17998	13.7
275.20117	65.5
278.48206	8.5
293.21222	17.8
371.89984	8.6
399.15689	10.4
436.20459	7.1
458.17413	9.2
469.01016	7.5
490.19101	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	490.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.2
53.03942	8.3
55.05514	13.7
56.05032	2.4
62.22083	2.1
64.57484	1.9
65.03944	3.0
67.05512	25.6
68.05048	10.2
69.03428	5.5
69.07072	10.9
69.75303	11.8
70.06596	53.0
71.04984	3.9
71.14710	2.3
79.05501	30.9
80.05012	10.4
81.03418	8.8
81.07060	56.0
82.06581	9.8
83.04980	2.9
83.08614	6.3
85.02898	2.9
91.05486	46.3
93.07052	47.8
94.06570	4.6
94.07829	1.9
95.04971	47.6
95.08617	20.7
96.08134	11.1
97.02883	2.7
97.06551	4.7
98.06025	2.7
98.21476	4.1
98.94025	1.9
100.07618	45.7
103.05484	3.6
105.07036	100.0
106.06560	7.3
107.08604	28.2
108.08123	8.9
109.02903	5.5
109.06537	5.4
109.10141	13.4
111.08028	2.0
114.05546	18.6
115.05476	6.8
116.07103	8.5
117.02817	2.0
117.07033	17.5
119.08591	78.8
120.08107	11.6
121.10149	52.4
122.09679	4.3
123.08107	4.0
123.11738	11.7
125.95127	1.9
126.09201	2.4
127.03918	7.3
128.06224	10.8
128.07083	66.4
129.07018	24.1
130.07806	10.6
131.08592	35.5
132.08102	2.8
133.10146	28.3
134.09676	7.9
135.11694	8.6
136.11186	5.8
141.07002	8.4
142.07764	17.9
142.08684	2.9
143.08577	40.0
144.09370	5.2
145.10135	62.1
146.09615	5.0
147.11687	40.9
148.11234	18.9
151.11176	1.9
152.07083	2.7
153.07059	3.9
154.08685	33.3
155.08539	12.0
156.09361	14.6
157.08952	1.9
157.10130	40.6
158.09695	3.0
158.10927	4.4
159.11690	14.5
160.11215	7.3
160.12505	1.9
161.09677	2.6
161.13260	5.2
162.12820	4.7
165.07024	2.9
165.12772	14.9
167.04543	2.0
167.08603	6.4
168.10347	16.0
169.10158	36.5
170.10974	2.6
171.11739	14.0
172.11223	5.6
173.13313	8.8
174.12819	8.1
175.14880	7.6
176.14349	1.9
178.08678	6.9
179.08557	8.6
181.10086	12.1
182.10953	4.3
183.11687	15.8
183.13866	3.8
184.11290	5.1
185.13292	6.0
186.12810	5.0
187.14937	2.4
192.10172	6.3
193.10185	5.2
193.12343	4.6
194.11862	37.2
195.11693	13.6
196.12582	4.6
197.13278	6.8
197.40768	2.0
199.14890	4.5
201.16479	2.2
206.11696	6.3
207.11745	5.5
209.13281	16.5
211.14900	16.3
213.12773	2.2
214.15910	2.4
218.11823	9.5
219.12657	2.0
220.13229	6.7
221.13264	3.3
223.14844	4.8
226.15909	5.1
229.14371	19.8
230.11858	4.3
232.13307	4.6
235.14832	6.6
237.16466	7.1
239.17950	3.6
244.13431	4.5
256.13333	3.3
258.14886	9.6
259.15646	6.7
260.16498	18.1
265.19568	4.1
270.14993	3.1
271.15747	7.7
274.18094	2.5
284.16489	10.8
287.18600	2.7
288.19815	3.3
297.17133	2.8
314.21310	3.9
337.16617	7.4
352.22861	4.2
355.17599	6.9
357.25970	2.6
366.24271	2.1
373.18365	2.8
380.25858	78.2
389.75616	2.0
398.26877	37.2
428.32974	2.4
472.32108	87.9
490.33224	74.8
490.40396	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.7
57.45643	1.2
69.03443	1.4
69.07068	2.5
69.50014	7.9
69.50423	2.9
70.06599	1.8
73.06562	7.9
79.05521	1.7
81.07053	3.6
85.02923	7.4
87.00846	1.4
91.05516	1.7
93.07037	2.3
95.08614	3.1
97.02898	2.0
105.07040	1.8
109.02872	2.5
109.10167	3.0
121.02896	2.9
121.10131	3.9
123.08092	10.5
123.11742	2.0
127.03939	2.7
147.04396	1.7
149.02351	100.0
161.05959	3.4
169.33669	1.7
175.07559	10.0
189.47610	1.4
203.07025	13.2
207.13959	1.9
221.08139	4.1
224.48311	1.4
225.14903	3.7
275.12842	7.8
291.85306	1.3
293.13852	46.7
407.65109	1.8
499.87369	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	4.3
62.22124	3.3
65.16203	3.4
67.05506	11.6
69.03418	7.8
69.07056	6.3
70.06594	27.1
70.08855	3.9
71.04984	4.6
71.55455	4.7
71.65520	3.8
72.08129	11.5
77.77185	4.0
79.05495	10.7
81.03430	5.7
81.07060	18.1
81.50552	3.9
84.08119	6.4
85.02900	52.4
85.06526	5.1
87.00858	7.8
88.95259	4.2
91.05473	14.6
93.07043	13.8
95.04967	15.0
95.08598	8.2
97.02872	10.4
97.36427	3.6
99.04439	5.2
103.05366	3.5
105.01872	4.9
105.07036	61.5
107.04957	56.2
107.08585	16.3
109.02915	8.4
109.06506	4.0
109.10190	9.5
111.04501	4.2
117.06991	4.9
119.08580	47.5
121.02867	10.6
121.06513	6.9
121.10144	13.1
123.04400	4.3
123.08043	5.8
123.11707	35.4
124.07584	5.1
127.03918	10.9
131.08572	10.5
133.06483	11.6
133.10109	14.0
136.07520	3.9
137.09601	4.8
145.04852	4.4
145.10143	27.1
147.04396	6.1
147.08044	4.2
147.11703	22.3
149.05923	3.6
149.09642	9.2
156.09305	11.8
161.13261	47.0
163.11191	16.8
167.06978	5.4
171.11687	17.6
174.10420	5.4
177.05547	6.1
178.04993	6.1
179.14313	12.3
189.12750	100.0
206.04468	10.5
207.13818	54.2
209.93723	3.9
225.14854	6.4
242.08200	6.2
242.17747	4.3
324.06281	4.6
474.67670	4.9
490.14352	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	490.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
55.05500	1.5
56.05050	1.1
57.03434	2.4
58.22361	1.1
58.66201	1.1
59.05007	62.4
59.49122	1.1
61.02924	2.2
65.03928	1.2
67.05512	1.3
69.03433	7.8
69.07075	1.6
70.06602	14.9
71.04987	1.7
71.54839	1.3
72.08156	5.5
73.02899	1.5
74.06078	1.1
81.03424	5.6
81.07065	1.7
81.68183	1.2
83.04967	2.1
84.04510	2.3
84.08136	4.4
85.02425	1.6
85.02908	17.3
86.09709	6.0
87.00813	2.7
87.04469	2.8
88.03963	1.4
89.06039	100.0
91.05487	8.2
93.07049	1.6
94.07159	1.4
95.04976	1.7
97.02910	9.4
99.04447	4.7
99.08127	1.0
100.07590	4.2
103.07575	4.5
105.01889	1.8
105.07022	2.1
107.04968	1.4
107.07040	7.3
107.08595	3.2
108.04437	1.2
109.02880	5.3
110.07209	1.7
112.07607	1.4
116.07100	2.6
117.07021	1.8
117.09134	5.6
119.04951	11.3
119.08556	1.9
120.08128	2.2
121.10164	1.2
123.04433	1.9
127.03942	7.1
128.07037	2.2
129.10280	1.7
131.04916	1.7
131.08519	1.5
133.08612	38.9
133.10121	2.5
136.07564	5.2
137.05971	1.6
145.02864	1.3
145.04939	3.4
145.07645	1.5
145.10165	1.6
147.04427	27.8
147.10101	1.5
147.11685	1.8
151.09641	6.3
159.07961	1.1
161.05928	1.6
161.11700	2.7
161.13240	1.2
164.07040	2.8
165.05415	1.4
169.27316	1.2
175.03923	8.4
177.05432	2.3
177.11243	12.7
179.10594	2.4
182.08080	5.5
191.07079	1.1
192.04144	1.8
195.12300	91.9
197.11642	5.6
207.06554	25.9
213.03732	1.2
225.07608	8.2
229.11757	1.3
235.15388	2.2
242.13925	1.4
244.09575	2.2
253.16496	33.6
262.12598	1.6
271.10565	1.2
274.12805	1.1
278.40704	1.2
311.20651	74.7
316.14145	1.2
392.75250	1.4
397.59299	1.1
487.03360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
55.01882	2.9
55.05504	11.9
57.42097	1.7
58.03238	1.7
61.02909	2.2
65.03940	1.7
67.05497	6.4
69.03432	11.6
69.07071	5.3
70.06615	4.0
71.04993	3.6
71.55019	3.4
72.08134	3.2
73.02911	3.1
73.06564	4.6
79.05476	4.9
81.03429	10.0
81.07063	10.7
83.04965	3.6
83.08611	1.8
85.02907	32.8
87.00833	11.4
91.05455	3.0
93.07050	6.8
95.04947	4.2
95.08612	9.0
97.02893	11.8
97.06507	3.2
99.04438	2.6
99.08093	3.1
105.01901	10.7
105.07032	6.7
107.08585	6.8
109.02878	10.7
109.06522	4.7
109.10170	5.3
117.06983	2.2
119.08583	4.2
120.08091	2.8
121.02932	2.7
121.10123	10.7
123.08073	100.0
123.11694	3.8
127.03918	20.6
133.10196	2.3
135.11659	2.3
145.04955	8.5
145.10016	1.9
147.04416	3.3
147.11693	4.2
147.15823	2.0
149.02353	74.7
149.09615	6.9
151.07480	2.3
151.11151	4.6
152.10992	1.8
153.86858	2.0
159.02893	5.4
161.05923	2.5
161.13290	2.4
163.11221	3.5
167.03404	2.2
167.10654	3.1
175.07539	11.6
181.12267	6.9
181.14146	1.8
189.12715	4.9
203.07018	10.9
207.13783	15.6
221.08078	6.9
225.14867	38.6
231.05060	3.4
275.12839	4.6
293.13818	35.6
379.20660	1.9
403.39273	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	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03937	2.2
55.01865	2.1
55.05262	1.9
55.05513	22.5
57.03429	4.9
57.07071	3.6
59.04993	2.1
65.03933	4.7
67.05508	99.4
69.03432	1.6
69.07079	14.1
71.04986	3.6
79.05068	2.5
79.05498	39.3
81.07066	45.8
81.26098	1.2
83.04978	3.1
83.08625	8.8
85.06514	3.1
91.05484	34.1
93.06471	2.5
93.07049	41.4
95.04975	6.1
95.08613	32.3
97.06544	3.8
97.10187	3.7
105.07044	25.7
107.05016	1.3
107.08595	24.8
107.09737	1.3
109.06577	1.6
109.10159	53.8
111.08081	2.8
111.11766	1.5
113.64604	1.4
117.07027	11.8
119.08597	27.9
121.06487	1.3
121.10157	18.6
123.08055	1.9
123.11694	2.7
125.09666	2.6
129.07014	4.4
131.08577	17.2
133.10138	17.1
133.49237	1.3
135.07986	1.6
135.11707	11.0
137.09637	2.8
139.11201	2.9
141.07025	1.3
142.07654	1.2
143.08574	3.0
145.10124	16.9
147.11700	13.3
149.09598	1.5
149.13263	4.1
155.08546	2.3
155.10699	5.1
157.10173	5.1
159.11708	11.9
161.13292	6.1
171.11726	5.4
173.11755	15.9
173.13271	6.4
175.14827	2.0
183.11708	3.6
185.13277	5.1
187.14844	3.0
197.13239	2.5
199.14813	2.9
201.16484	2.3
211.14859	3.3
213.14664	1.4
225.16371	2.2
227.18002	2.0
229.46825	1.7
261.22150	4.9
317.24677	1.7
377.26834	2.0
379.30066	9.4
397.31033	14.1
415.32169	3.7
433.33362	1.7
453.33881	1.7
471.34821	9.5
489.35779	100.0
490.36118	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	490.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.2
55.01859	0.8
56.20908	0.6
57.03429	1.2
57.05823	0.7
58.06580	1.0
61.02917	0.6
69.03432	7.9
70.06576	1.8
70.14172	0.9
70.14520	2.0
71.05001	7.3
72.08129	0.6
73.02905	1.0
81.03423	4.4
83.04984	0.6
84.04489	0.6
85.02438	0.8
85.02908	11.2
86.09676	0.8
88.03994	2.5
89.06038	20.9
93.03357	0.9
97.02288	0.8
97.02897	14.5
99.04442	3.5
103.03986	0.7
107.04961	3.7
109.02893	5.6
111.04472	4.5
120.08064	1.3
123.04424	0.7
127.03924	8.2
128.81548	0.6
133.05128	0.8
135.04419	12.0
135.06612	0.5
137.05942	1.4
139.03906	20.5
145.04964	6.4
148.07590	1.1
151.06285	0.9
163.03908	3.5
166.08644	57.2
177.05446	0.7
180.64398	0.5
181.04967	16.6
194.08032	0.7
210.98651	0.7
212.09187	100.0
213.09468	0.9
217.07210	0.8
218.71443	0.5
229.84933	0.7
254.10205	0.6
261.09784	1.3
301.25113	0.6
301.29614	0.5
444.18570	2.8
454.17032	1.1
472.18024	1.0
490.19205	40.6
491.19919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.62497	1.1
53.03946	1.7
55.01877	1.5
55.05518	17.9
57.03431	5.2
57.07079	2.0
58.30906	1.1
59.04996	1.8
65.03956	2.6
67.05508	56.7
69.07079	15.3
69.53100	5.9
69.53529	2.9
71.04993	3.2
79.05500	29.3
81.07065	34.4
83.04991	2.8
83.08622	9.8
85.06546	2.5
90.61598	1.2
91.05481	25.1
93.07046	31.5
95.04979	3.6
95.08617	22.7
97.06515	3.4
97.10197	4.5
99.08103	1.8
105.07041	24.7
107.05008	1.1
107.08607	18.4
109.06537	1.7
109.10159	23.3
111.08102	2.1
117.07027	9.8
119.08594	35.0
119.09449	1.9
121.10160	11.8
123.08102	1.5
123.11741	3.1
125.09621	3.0
125.96749	1.0
128.06212	1.3
129.07022	4.8
131.08565	18.1
133.10141	17.9
135.08116	1.4
135.11708	9.0
137.09712	1.4
139.11215	1.9
141.07004	1.9
143.08551	6.8
145.10139	19.5
147.11713	12.4
149.09613	1.9
149.13264	4.8
154.32506	1.2
155.08580	2.9
155.10593	1.7
157.10143	7.5
159.11708	13.1
161.13269	8.1
163.11205	2.2
163.14734	1.1
169.10165	4.2
171.11652	7.1
173.11761	3.9
173.13304	8.8
174.84207	1.2
175.14850	6.3
181.10164	2.3
183.11740	4.7
185.13225	6.4
187.14758	8.1
189.16377	1.5
195.11723	2.1
197.13298	4.3
199.14896	3.6
201.16479	3.8
211.14909	3.0
213.16449	3.1
225.16423	2.5
235.14870	1.2
239.17915	1.3
241.16057	1.3
241.19615	1.5
243.21269	1.5
259.20715	1.8
261.22241	4.0
271.20639	1.8
273.22217	2.4
285.22263	3.2
297.22177	1.6
299.23874	2.6
303.23029	2.0
317.24612	2.8
341.25055	1.4
377.27396	2.1
379.29974	15.1
391.28427	2.8
397.31061	21.3
405.30087	1.7
415.31995	3.2
433.33295	1.7
471.34891	14.4
489.35846	100.0
490.36258	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28003	1.2
53.03953	4.7
55.01878	3.7
55.05512	17.9
57.03445	2.3
57.07076	5.8
59.04993	2.7
61.02935	2.0
64.48807	1.4
65.03946	2.6
67.05508	43.5
67.08592	1.3
69.03425	9.2
69.07071	37.2
69.36338	11.5
70.06608	6.2
71.04999	3.2
71.08640	3.0
72.08158	4.8
73.02902	2.0
74.36490	1.2
77.03934	1.4
79.05494	26.2
81.03409	5.7
81.07061	100.0
81.09280	1.3
83.04999	3.3
83.08626	18.8
84.08157	2.4
85.02911	15.4
85.06545	16.4
86.09702	4.2
87.00841	1.5
91.05472	14.7
93.07049	41.4
93.07630	2.5
95.04958	6.2
95.08611	94.3
97.02899	11.3
97.06543	5.4
97.10174	15.7
98.21487	2.7
99.04484	2.4
99.08105	12.7
105.07038	17.7
107.04983	1.9
107.08601	41.9
109.02876	5.3
109.06522	2.8
109.10162	81.2
111.04411	1.9
111.08108	11.2
111.11707	8.1
113.09657	2.7
118.21870	1.2
119.08594	12.6
121.09315	2.1
121.10153	33.1
123.08077	6.5
123.11720	36.5
125.09644	5.3
125.13278	1.6
127.03914	7.9
129.07013	1.6
131.05008	1.3
131.08589	2.6
133.10124	8.6
135.11703	30.0
137.06012	4.4
137.09596	2.2
137.13278	13.1
139.11162	10.6
143.08600	1.7
143.10745	1.9
145.04953	3.6
145.10191	2.8
147.04460	2.5
147.08078	1.8
147.11676	9.6
149.09660	2.4
149.13274	30.5
151.03990	1.7
151.07541	2.4
151.11243	2.6
151.14856	6.6
153.09084	1.4
153.12698	3.6
153.87553	1.3
159.08101	1.8
159.11702	2.9
161.06070	1.4
161.09660	1.6
161.13254	5.4
162.05513	1.5
163.03952	1.9
163.11168	1.7
163.14836	19.8
165.09125	2.9
165.16446	4.1
167.14314	2.9
171.11658	1.6
172.05199	1.4
173.13266	2.6
174.99435	1.4
175.07483	1.8
175.14891	5.6
177.05489	2.3
177.09187	2.5
177.16441	11.8
179.17940	2.6
187.07611	2.3
187.11143	1.4
189.12720	2.1
189.16441	4.3
191.14304	1.5
191.17957	7.2
203.10681	3.8
203.18045	4.6
205.19562	4.2
207.13803	1.4
209.18884	3.3
217.19542	6.5
235.20572	3.0
238.08641	6.0
239.09039	8.8
247.24255	5.3
252.10216	5.9
253.10941	28.0
254.11363	39.2
255.12051	4.5
261.25763	6.0
273.25766	16.0
279.26984	3.2
291.26807	30.8
296.08829	2.5
309.27917	9.6
325.12442	1.8
363.82333	1.3
443.16428	1.4
489.17236	17.3
489.23419	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	489.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01862	1.3
55.05515	6.7
57.03444	2.7
57.07074	1.0
65.03934	1.9
67.05508	21.3
69.07063	6.3
70.61855	1.3
70.62256	0.8
71.04985	1.0
71.08629	0.8
72.08143	0.5
77.86365	0.5
79.05497	9.9
81.07062	22.5
83.04974	1.2
83.08620	5.4
85.06544	1.1
89.55286	0.5
91.05486	16.9
93.07048	11.3
95.04980	2.1
95.08613	18.7
97.06529	2.4
97.10174	2.4
97.72424	0.4
98.98470	4.4
99.08114	1.2
105.07036	5.4
107.04980	0.8
107.08583	7.0
107.17925	0.4
109.06510	1.7
109.10162	7.9
111.08086	1.6
113.09535	0.4
117.07014	1.5
119.04949	25.7
119.08586	4.0
121.06511	1.1
121.10146	7.6
123.04371	0.5
123.08064	1.3
123.11724	4.2
125.09641	1.0
129.07013	0.9
131.08583	3.4
133.10144	7.0
135.08020	0.7
135.11702	5.1
137.09613	1.5
137.13274	0.6
143.08543	0.8
145.10098	2.7
147.04414	100.0
147.11676	1.8
148.04759	1.5
149.09605	0.5
149.13237	1.2
151.11186	2.1
155.08528	0.5
157.10211	0.7
157.88133	0.5
159.11728	2.0
161.13232	0.8
163.11287	0.7
163.14720	0.5
165.05481	13.0
165.12740	3.3
171.11711	0.8
173.02164	0.8
173.13239	1.1
177.12798	0.8
185.06026	0.7
187.14790	1.1
191.14339	1.0
195.13832	0.7
209.93289	0.4
215.18011	3.8
217.19550	0.5
221.08054	0.8
223.17039	0.4
233.19034	3.4
235.20587	0.7
251.20032	4.3
289.25449	0.5
317.24710	4.4
325.23746	15.5
326.24527	0.5
373.27328	1.2
391.28497	3.4
435.32620	0.8
453.33673	1.2
471.34763	4.2
489.28271	1.4
489.35593	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	488.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.0
54.18709	1.1
55.01883	3.1
55.05515	7.0
57.03439	2.5
57.07081	2.3
59.05009	2.6
65.03949	1.9
67.05505	7.2
69.03434	31.7
69.07059	8.5
70.06598	20.3
70.82668	2.5
71.05006	5.2
72.08160	11.3
73.02898	2.4
79.05495	11.6
81.03422	6.0
81.07067	13.3
82.06578	9.2
83.05002	6.8
83.06106	1.7
83.08628	6.3
84.04510	6.9
84.08148	8.5
85.02915	15.4
85.06548	3.7
86.09710	18.7
87.04472	26.7
91.05493	12.9
93.07058	9.6
95.04974	6.4
95.08601	8.1
97.02908	11.0
97.06553	6.3
97.87759	1.2
98.06059	12.1
98.29572	1.3
99.04468	5.4
100.07623	100.0
102.05527	2.6
103.03996	1.6
105.07027	17.3
107.08600	40.7
109.02909	5.7
109.06519	11.2
109.10168	18.2
110.06042	1.6
110.07220	2.6
111.04442	2.7
111.08109	2.8
115.05392	1.6
116.07118	4.6
117.07028	3.6
118.08666	29.3
119.08566	9.7
120.08115	2.1
121.06529	2.2
121.10147	22.0
123.08080	6.3
123.11745	7.1
125.09644	3.2
126.03598	1.2
127.03917	7.5
129.06921	1.4
129.10220	2.8
131.08601	11.7
133.10143	28.6
134.42839	1.3
135.08063	44.1
135.11690	8.1
136.07599	1.9
137.06012	2.4
137.09633	3.4
143.08562	3.6
145.04996	3.2
145.10130	7.3
147.04465	2.6
147.11696	6.9
149.13260	11.2
151.11223	5.9
153.09108	3.1
158.10970	4.8
160.09650	1.6
163.03937	3.4
163.14853	3.3
164.07065	2.1
165.12794	4.0
166.08630	2.8
167.14360	4.3
173.13263	23.4
175.14864	2.2
188.07208	1.5
189.12793	1.3
191.14325	20.5
209.15366	10.8
212.09235	3.6
223.06129	4.7
226.10941	3.6
228.13490	2.7
231.11189	1.5
243.13589	2.3
244.11739	8.0
253.11070	3.3
262.12875	75.2
280.13934	49.9
326.14340	2.3
356.14645	1.7
414.21439	3.0
451.72049	1.4
452.26962	1.9
470.21069	2.0
470.27588	16.2
488.21411	2.5
488.28683	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01871	0.5
55.05510	2.9
55.60693	0.3
56.85579	0.3
57.03438	1.9
65.03932	1.6
67.05502	11.6
69.07069	3.5
71.04974	0.6
71.15334	0.6
72.08138	0.4
76.60490	0.3
79.05494	5.4
81.06580	0.5
81.07053	10.8
83.04974	0.6
83.08611	2.3
85.06547	0.7
91.05479	10.8
93.07040	7.0
95.04977	0.6
95.08608	11.1
97.06529	2.1
97.10152	1.1
98.98428	0.5
105.07062	1.8
107.08578	3.5
109.10155	5.0
111.08089	0.9
117.07007	0.7
119.04942	19.4
119.08577	1.6
119.63789	0.3
121.10127	4.4
123.11686	1.8
125.09630	0.5
129.05493	0.4
131.08577	1.6
133.10126	3.4
135.11687	3.0
137.09554	0.5
137.13260	0.7
139.11151	0.3
145.10136	1.1
147.04408	100.0
147.11693	1.0
148.04744	1.1
149.13268	1.4
151.11182	1.2
157.70583	0.3
159.11725	0.9
165.05478	15.8
165.12773	0.6
173.13196	0.3
181.12308	0.3
187.14877	0.5
215.18004	2.0
221.08148	1.3
233.19057	1.9
251.20117	2.7
307.22745	0.4
317.24820	0.6
325.23712	14.9
326.24066	0.4
471.27386	0.6
489.28513	1.4
510.98016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3421
Annotation	CHEBI:67946
Peak:m/z	Relative Intensity
53.03943	4.1
55.01878	3.9
55.05292	3.4
55.05517	29.0
56.84158	2.3
57.03442	4.5
61.02898	3.0
61.40557	2.4
65.03944	4.8
67.05175	3.5
67.05510	59.0
69.03444	2.4
69.07070	30.3
69.38039	9.7
69.38467	11.0
71.04987	4.3
72.08176	2.7
79.05497	53.8
81.03400	3.0
81.07065	83.1
82.87340	2.3
83.04973	6.3
83.08636	18.2
85.06557	4.7
91.04967	4.1
91.05486	51.0
93.07051	45.6
95.04990	13.3
95.08615	49.4
97.06539	9.1
97.10175	7.8
105.07038	60.2
107.04961	10.3
107.08597	31.0
109.06526	7.6
109.10181	16.3
111.08096	5.9
113.05990	2.5
115.05475	3.8
117.07027	26.0
119.08580	49.3
121.06515	7.1
121.10154	25.3
123.08098	6.5
123.11706	19.2
125.09653	5.3
127.07568	4.7
128.06253	10.0
129.07013	23.0
131.08580	36.4
133.06500	7.3
133.10147	28.9
134.98227	4.6
135.08058	8.0
135.11694	10.8
137.09563	3.8
141.06998	7.5
142.07796	8.0
143.08551	30.3
145.06491	4.9
145.10118	29.6
147.08096	6.0
147.11703	43.1
149.09657	7.6
149.13319	4.8
151.11182	3.0
154.07767	5.0
155.08646	15.2
157.10139	22.7
159.08101	7.0
159.11723	19.1
161.09712	5.3
161.13254	6.9
165.12778	14.6
167.08655	4.5
169.10161	15.2
171.11696	20.7
173.09657	6.2
173.13252	7.5
175.11215	6.3
175.14873	3.3
180.04205	2.4
181.10121	6.7
183.11716	14.7
183.13785	2.6
185.09621	2.8
185.13321	15.9
187.11188	4.3
195.11810	7.8
195.13789	2.3
197.13310	12.7
199.11195	3.8
199.14847	3.0
209.13280	6.8
211.14957	6.0
213.16406	2.7
229.14308	2.8
247.14708	3.0
247.16965	3.7
259.20761	5.3
261.18607	5.8
267.21219	2.8
275.19989	15.0
285.18582	5.0
291.19647	8.6
299.20212	4.9
301.21631	2.7
313.21671	6.3
315.23221	3.6
321.22125	3.6
327.23141	7.1
339.23285	5.1
403.28439	2.7
405.32132	3.7
407.29669	3.7
415.29733	7.0
423.32919	5.5
433.31027	20.7
451.32104	34.4
469.23297	3.5
469.33179	68.5
487.34222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3418
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03935	7.2
55.01876	9.5
55.05514	46.6
57.03434	6.1
65.03932	4.8
67.05173	5.5
67.05508	88.5
69.07070	32.0
70.65414	12.4
71.04979	6.1
72.08152	5.2
79.05494	64.7
81.03419	7.5
81.07059	96.8
83.04982	8.6
83.08636	22.6
85.06544	9.6
91.04967	6.8
91.05486	79.2
93.07052	64.5
95.04969	13.9
95.08606	57.4
97.06518	11.5
97.10168	11.9
97.47325	4.9
103.05396	4.8
105.07031	92.0
107.04955	15.3
107.08590	38.0
109.06518	14.4
109.10152	26.6
111.08069	5.1
117.07038	30.7
119.08578	59.2
121.06503	13.6
121.10173	24.4
123.08067	7.4
123.11694	11.3
125.09645	7.5
128.06187	6.1
129.06999	21.5
131.08594	40.5
133.06451	3.5
133.10143	61.3
135.08035	10.7
135.11717	9.5
141.07002	11.9
142.07843	5.6
143.08574	30.9
145.10139	34.2
147.04393	4.9
147.08066	7.1
147.11693	40.3
149.09604	12.0
149.13222	7.5
155.08530	14.2
155.58165	3.8
157.10159	26.1
159.08035	6.2
159.11682	24.5
161.09605	9.6
161.13254	5.9
163.11205	4.3
165.12773	13.1
167.08575	7.9
169.10097	16.3
171.11685	17.5
173.09712	5.7
173.13203	9.5
175.11115	5.4
177.12662	5.4
181.10103	4.9
181.45686	3.8
183.11729	14.7
185.13234	13.1
195.11748	5.0
197.13264	12.8
199.14754	8.3
209.13379	8.4
211.14691	4.7
211.52316	4.1
213.16135	3.8
221.13303	4.5
223.14975	4.7
257.18988	7.6
261.18649	5.5
263.19904	5.1
275.20050	78.9
291.19455	5.8
299.19904	4.7
313.21548	7.2
415.29623	4.0
433.30859	17.5
451.32053	36.8
459.34732	7.8
469.33102	65.9
487.34335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
55.01875	17.2
55.05513	49.3
57.03434	16.1
57.07072	23.5
61.02918	9.8
67.05518	37.5
69.03421	37.2
69.07073	60.3
69.75735	27.5
69.76150	13.1
71.04997	36.9
73.02912	14.7
79.05490	27.0
81.03413	46.9
81.07064	83.1
83.04974	6.7
83.08649	37.5
85.02909	79.0
87.00837	26.9
89.35983	7.2
91.05489	29.7
93.07045	79.0
95.04998	8.3
95.08606	92.6
97.02892	32.9
97.06535	21.4
99.04440	11.2
99.08102	11.3
105.01878	21.3
105.07050	32.8
107.08599	100.0
109.02888	24.1
109.06532	9.2
109.10175	57.2
111.08107	14.0
115.03937	17.6
119.08599	27.7
121.10154	48.7
123.08097	19.4
123.11687	42.1
123.97531	8.5
127.03896	45.1
131.08582	7.2
133.10147	21.9
134.87917	6.8
135.11688	81.9
137.13237	15.5
143.10675	10.9
145.04968	11.0
147.11700	20.4
149.13280	56.6
153.12790	38.6
157.10123	9.0
159.02924	20.0
159.11778	11.0
161.13229	19.9
163.14870	10.4
201.04024	11.4
203.17976	35.3
205.19579	34.0
221.19035	99.0
266.03500	7.7
293.65320	6.9
339.50729	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	487.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.2
55.05505	19.4
57.07078	6.4
59.04976	7.8
63.27169	5.5
67.05502	57.1
69.03423	22.4
69.07068	40.7
69.38734	43.9
70.06580	19.3
71.04990	5.9
71.16628	5.6
73.02919	7.6
79.05502	30.9
81.03404	20.7
81.07063	99.7
83.04978	15.9
83.08614	13.1
85.02903	18.3
85.06526	9.1
86.09703	23.4
91.05473	31.0
93.07034	45.5
95.04964	15.6
95.08605	100.0
97.02891	83.8
97.06516	13.0
97.10188	8.7
98.03219	28.8
99.04473	6.4
105.07027	34.8
106.02879	7.5
107.08582	51.7
109.10162	55.1
111.04503	6.0
111.08103	10.1
117.07008	11.8
119.08582	29.6
121.10145	38.9
123.04446	5.6
123.11692	12.4
124.03939	10.8
125.06096	6.0
127.03890	13.7
131.08545	19.1
131.39642	5.6
133.10127	25.9
135.11691	20.5
136.06099	6.3
137.05925	6.8
137.13223	5.4
139.11191	9.1
143.08589	6.2
145.10139	16.0
147.04433	6.7
147.11681	23.1
149.13258	15.7
151.11198	6.0
159.11684	15.8
161.13228	11.0
163.03918	13.9
163.14842	8.6
165.09195	10.4
165.12762	5.4
173.13292	10.6
175.14816	6.8
182.61014	6.1
187.14760	9.6
193.08632	6.4
208.53844	6.6
221.06268	8.0
225.05591	7.3
243.13348	5.0
257.83661	6.3
271.08517	6.2
289.25146	13.5
307.26334	10.2
319.30927	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	487.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.5
53.77222	2.7
54.92578	2.6
55.01867	10.6
55.05514	27.2
57.03427	8.6
57.07080	13.0
59.04987	3.7
61.02916	7.7
61.30956	2.7
65.03939	2.9
67.05510	28.9
69.03434	39.8
69.07072	74.5
69.53036	20.4
70.06597	70.0
71.01336	2.8
71.05003	18.3
71.06921	14.5
72.08131	3.8
73.02906	8.6
73.06576	3.8
76.02241	8.2
79.05486	19.8
81.03426	36.3
81.07061	52.7
82.07424	3.4
83.04994	6.5
83.08625	28.0
85.02911	67.9
85.06542	5.9
87.00822	32.4
87.62854	2.9
91.03945	2.9
91.05480	15.4
93.07040	44.9
95.04980	16.5
95.08614	45.9
97.02901	35.3
97.06537	28.9
97.10165	9.1
99.04477	9.6
99.08108	6.5
103.05471	3.1
105.01889	21.4
105.07018	28.0
107.08600	60.6
109.02891	31.7
109.06522	10.6
109.10165	45.2
111.08087	9.5
111.11739	4.7
112.07602	8.8
113.07957	4.3
115.03967	8.6
117.01842	4.9
117.06999	4.9
119.08591	26.7
121.06525	5.8
121.10124	21.1
123.08075	26.8
123.11733	26.2
125.09649	5.8
125.13280	25.8
127.03917	41.6
127.11223	5.7
131.08501	5.5
133.10141	21.6
135.08073	3.7
135.11696	57.5
137.05994	4.3
137.09618	9.6
137.13283	9.7
139.11116	3.7
145.04993	17.5
145.10083	12.8
147.11716	18.2
149.09615	3.8
149.13248	24.2
151.11191	6.3
151.14835	3.9
153.12747	31.2
155.08530	3.6
157.10150	5.2
159.02875	17.3
159.11665	7.4
161.09689	3.6
161.13287	13.7
162.02177	3.6
163.03883	3.7
163.07619	4.3
163.09019	2.6
163.11179	4.4
163.14851	7.6
164.84109	3.1
165.12805	3.6
171.11670	3.5
175.14720	3.4
177.16423	5.1
179.04915	8.5
179.14342	4.3
180.05267	3.0
183.11784	5.1
185.13252	4.2
201.16437	3.3
203.17946	26.4
205.19527	5.7
219.17439	3.5
221.19009	100.0
231.04985	5.5
239.20139	8.4
256.11960	5.5
257.12289	5.3
274.12979	4.5
275.13211	4.6
311.19876	4.3
335.93515	2.9
487.17786	4.0
497.37631	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	486.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
57.07081	18.3
61.10876	0.8
62.06071	0.9
67.05505	3.8
69.07064	6.1
70.62157	2.4
71.08286	1.1
71.08640	12.2
71.85286	0.8
79.05512	1.1
81.07067	7.4
83.08611	3.8
85.10191	4.6
87.04469	6.5
91.05479	3.0
93.07059	2.2
95.08601	5.3
97.10165	2.6
98.21274	1.9
102.39417	0.8
105.07005	2.0
107.08592	5.9
109.10149	6.3
111.11704	2.4
117.07066	1.4
119.08582	3.7
121.06512	2.2
121.10137	4.1
122.07297	1.5
123.11715	1.5
125.13200	0.9
131.08595	2.3
133.10143	2.0
133.66096	0.8
135.08067	4.6
135.11699	1.9
136.08833	1.4
137.09636	7.8
137.13367	0.9
139.07527	2.5
145.10086	1.8
147.11644	0.8
149.09644	13.1
151.07556	1.3
159.08063	1.0
159.11722	3.3
160.08891	1.4
161.09688	1.6
163.11191	22.2
164.08340	2.8
165.09120	100.0
168.08086	0.9
173.09560	1.4
173.13298	2.4
175.09837	1.4
175.11087	5.3
176.08301	1.4
177.09108	10.5
177.12766	2.0
179.10646	2.4
180.88043	0.8
184.41812	0.8
187.11156	3.5
189.12743	2.6
191.10663	11.1
201.12730	1.5
203.10657	1.8
204.11435	1.0
205.12234	10.2
215.14351	1.5
219.13771	6.2
233.15381	1.9
247.16907	1.7
261.18475	1.1
275.20035	2.1
289.21613	1.5
303.23203	1.8
323.57211	1.0
373.30539	1.3
384.87579	1.0
401.34286	1.7
411.36310	2.0
424.84030	0.9
429.37299	70.9
430.37842	2.9
486.39328	1.7
486.48508	1.2
489.59625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	1.0
53.03939	2.3
55.01863	2.3
55.05508	9.6
57.03430	3.2
57.07072	2.8
57.98803	1.3
58.99586	16.5
59.04992	1.0
64.73553	0.9
65.03943	2.9
67.05506	51.4
68.05022	1.8
69.03430	3.3
69.06719	1.5
69.07070	15.4
70.06596	78.6
70.36611	3.4
71.04993	2.1
72.08142	1.9
76.02232	75.0
76.04012	2.7
79.05498	12.5
81.03411	4.2
81.07063	31.5
83.04987	2.7
83.06100	5.5
83.08614	3.0
84.04038	1.7
84.04505	22.3
84.08131	4.2
85.01118	1.6
85.02895	3.0
85.06538	1.6
86.99049	5.8
88.02203	1.2
91.05480	8.5
91.22794	1.1
93.07052	11.3
94.06542	3.8
95.04978	18.8
95.08611	49.2
97.02891	10.7
97.06537	3.1
97.10172	1.0
98.06064	1.2
98.09716	1.0
99.04410	1.2
99.05582	1.6
105.07039	11.5
106.72515	0.9
107.08605	9.6
108.08152	1.4
109.02890	2.2
109.06516	5.0
109.10160	34.9
111.08082	2.1
112.03944	1.4
112.07613	22.9
113.04212	2.9
114.03763	1.3
114.05524	1.6
116.01678	27.7
116.02493	1.4
117.07040	2.7
119.08585	13.3
121.06541	1.8
121.10137	6.4
123.08050	3.4
123.11732	1.4
124.03967	1.4
125.09702	1.2
127.03921	3.0
129.06567	5.0
130.05006	6.0
130.06866	1.8
130.08643	3.6
131.08583	1.7
133.10086	5.1
134.09634	1.6
135.11700	3.7
136.07593	1.5
137.09601	4.0
139.05777	2.1
141.07304	1.2
142.03230	5.1
143.08609	1.2
144.01155	14.4
145.06102	2.3
147.04401	1.3
147.11612	1.6
151.14819	20.5
156.08406	1.3
161.09541	1.2
161.13290	9.8
162.02205	45.5
170.02744	3.0
172.09688	1.3
176.14342	1.3
178.08699	1.4
178.15947	1.3
179.04863	100.0
179.12726	2.0
179.14310	37.3
187.05382	2.8
199.07178	1.3
203.14233	1.3
203.18013	1.5
215.04968	1.4
216.06842	1.3
233.05907	18.3
233.09438	2.2
234.06305	1.2
236.14706	3.7
237.13042	2.7
238.10794	3.5
238.14571	1.1
245.05861	3.3
256.11899	8.0
274.12839	12.9
290.08286	1.1
290.17548	1.5
291.06329	2.4
300.10855	2.9
308.09116	12.2
315.73605	1.0
318.11887	3.4
336.12802	1.4
339.17404	12.5
357.18387	1.2
393.18375	2.6
411.19501	20.8
468.21634	5.8
486.22775	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	485.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42804	2.2
55.05502	7.4
57.03442	8.9
57.07081	48.2
59.05013	4.3
60.55380	2.4
67.05508	5.8
69.07065	7.5
69.92477	6.8
69.92896	7.8
71.08637	35.2
80.05505	2.3
81.07059	10.2
83.08633	6.4
85.10190	24.0
87.04499	5.1
89.06037	29.6
91.05502	3.3
95.08605	9.8
97.10172	3.9
98.98472	10.6
109.10155	5.0
119.08607	2.8
133.08612	15.6
133.10143	5.7
155.01025	5.2
177.11249	4.2
235.22871	2.5
238.73726	3.0
257.24612	3.6
275.09363	2.7
298.94891	2.7
302.67471	2.5
313.27383	100.0
314.27795	2.5
326.08578	2.4
502.57382	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	486.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
55.01867	13.3
57.03423	3.0
57.07072	9.0
67.05505	4.2
69.03430	13.1
69.07059	11.1
70.02968	6.6
70.06576	10.2
71.55032	3.6
72.04525	26.4
72.08147	4.4
73.02919	9.7
81.03421	27.0
83.04973	7.9
84.04517	3.7
84.08161	19.5
85.02902	14.0
85.06535	10.1
86.09695	9.7
87.04454	3.8
90.05576	55.2
95.04946	11.0
97.02890	15.2
98.02430	19.0
99.04426	6.7
100.03997	6.8
103.07566	5.2
106.38850	3.3
109.02892	31.6
110.06034	3.3
113.06023	7.5
116.03459	26.7
124.07595	32.4
127.03947	16.6
127.06223	3.6
128.07079	7.4
130.08626	5.3
132.06564	5.7
141.06607	4.4
142.08624	25.0
143.93677	3.3
145.04965	9.8
147.04425	5.1
160.09709	7.8
163.03961	4.7
166.08647	8.5
172.09662	7.0
174.11250	5.9
184.09700	38.5
192.10214	5.9
198.07706	6.1
199.06068	4.9
202.10756	100.0
211.09656	15.0
216.08678	5.9
217.07170	7.9
220.11829	25.2
230.10269	14.8
234.09724	13.1
238.10815	4.5
262.12863	24.3
310.12854	12.6
328.13974	73.9
344.84372	3.6
346.14993	15.8
358.67255	3.2
364.16034	27.8
375.11630	4.4
474.35135	3.8
486.20297	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	486.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01860	2.5
55.05516	11.4
56.05023	1.1
57.03428	3.0
57.07072	2.5
57.98788	1.5
58.99590	20.9
59.05004	1.5
67.05513	41.4
68.05002	1.4
69.03422	4.5
69.07072	10.1
69.34904	11.3
70.06598	48.8
71.04990	2.6
72.08143	2.8
76.02232	74.5
76.03994	2.9
79.05500	10.3
81.03391	2.8
81.07067	33.7
83.04997	2.8
83.06105	4.5
83.08605	3.4
84.04044	1.6
84.04517	23.7
84.08113	2.5
85.01163	1.4
85.02903	3.5
86.99048	5.5
87.02685	1.9
88.02235	1.7
91.05488	8.2
93.07043	15.8
94.06569	2.1
95.04975	7.8
95.08618	50.4
97.02901	10.3
97.06538	3.4
99.05575	2.5
105.07036	12.6
107.04925	1.7
107.08584	9.9
109.06505	5.5
109.10161	30.4
111.08130	1.2
112.07613	7.7
113.04203	1.9
116.01685	23.6
117.06981	1.9
119.08588	15.7
121.06544	1.9
121.10133	3.9
123.08089	4.2
123.11721	1.3
127.03915	2.5
129.06648	4.0
130.05003	8.2
130.06863	2.8
130.08623	1.9
131.08594	1.3
133.10146	5.1
134.09651	3.8
135.08040	2.7
135.11697	3.0
137.05997	3.2
137.09621	3.4
139.05780	2.8
142.03232	4.8
144.01161	14.5
145.06021	1.3
145.10153	2.1
147.08072	1.3
149.09616	1.4
151.11125	1.4
151.14833	20.5
156.08359	1.5
157.10086	1.7
161.13264	13.7
162.02219	44.5
165.30283	1.1
170.02733	2.3
178.15916	1.5
179.04875	100.0
179.14322	32.8
180.07388	1.3
185.13196	1.3
187.05360	3.2
203.14294	1.5
203.17915	1.6
205.06433	1.3
216.06938	2.1
219.12006	1.6
233.05948	16.4
233.09563	1.8
236.14632	6.1
237.13080	3.9
245.05942	3.6
249.18649	1.3
254.15785	2.0
256.11807	1.9
274.12915	2.4
291.06509	2.3
308.09125	13.4
311.17651	1.3
318.11792	3.1
339.17383	13.3
393.18216	2.6
402.72382	1.2
411.19507	12.6
468.21783	6.4
486.22665	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	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.8
54.58960	1.8
55.01879	6.6
55.05515	6.1
57.03434	6.0
57.07061	2.9
59.04986	5.0
61.02917	5.4
65.03950	2.4
67.05510	18.6
68.99789	4.8
69.03436	37.1
69.07082	6.9
70.06590	11.3
70.52528	5.7
71.04996	15.8
72.08163	2.9
73.02920	7.8
79.05493	15.9
81.03423	43.0
81.06582	3.4
81.07061	68.4
83.05007	2.2
83.08635	2.2
84.08174	2.5
85.02912	65.1
85.06521	4.4
86.09702	3.4
87.00831	25.6
91.03972	2.6
91.05486	14.9
93.07046	89.2
95.04980	9.0
95.08613	38.5
97.02901	30.3
97.06546	21.8
99.04467	13.5
103.05482	2.1
105.01875	15.8
105.07047	20.4
107.04964	3.9
107.08595	21.1
109.02887	34.0
109.06516	8.6
109.10173	20.7
111.08087	4.1
113.06017	7.3
114.30387	2.0
115.03972	3.5
117.01868	7.8
117.07038	2.0
119.04903	3.3
119.08566	21.8
121.10130	16.0
123.08080	14.3
123.11716	41.5
125.09631	5.7
127.03924	55.3
127.04805	3.4
127.11224	2.6
129.01863	3.8
131.08577	5.7
133.10144	31.3
135.08040	4.3
135.11684	8.8
137.09634	5.1
143.08586	2.2
145.04968	17.8
145.10168	8.0
147.02930	4.1
147.04395	5.5
147.11702	14.9
149.13272	6.8
151.11188	36.6
159.02904	20.2
159.11670	12.9
161.09590	3.4
161.13277	7.2
162.42480	1.9
163.11198	3.8
167.10690	2.5
173.13263	5.8
175.14873	3.0
177.05515	3.8
177.12793	2.5
189.05505	2.7
191.14319	4.4
201.16435	16.9
203.17969	2.5
217.08325	1.9
219.17468	100.0
220.17809	3.5
231.05022	9.0
237.18465	7.3
347.01599	1.7
485.16373	2.1
485.23450	2.3
485.29596	5.4
508.30038	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	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.8
55.01883	5.2
55.05516	21.9
57.03432	3.6
57.07091	5.4
59.05030	2.8
61.02926	7.5
67.05515	16.5
68.99802	3.5
69.03439	26.4
69.07059	11.4
69.32574	20.4
69.37751	2.3
70.06592	9.9
71.05000	19.3
72.08147	5.7
73.06551	2.5
79.05521	16.2
81.03426	30.6
81.07066	40.8
83.04981	22.1
83.08620	4.3
84.08170	2.5
85.02911	35.8
85.06541	5.5
86.09750	2.9
87.00835	13.8
91.05472	17.3
93.07053	30.6
95.04977	6.3
95.08619	26.9
97.02902	32.3
97.06541	8.3
97.10189	5.2
99.04461	9.3
99.08099	4.6
105.01871	10.4
105.07043	41.2
107.04977	2.7
107.08598	29.4
107.68407	2.1
109.02898	19.5
109.06538	6.6
109.10162	25.1
111.04423	4.3
111.08051	5.7
115.05430	3.4
116.07166	2.7
117.07014	6.6
119.08591	18.4
121.06507	3.9
121.10157	52.2
123.04475	6.1
123.08083	6.9
123.11717	17.0
124.13476	2.1
125.09653	6.5
127.03914	27.9
127.11251	3.0
129.01828	3.0
131.08585	18.4
133.10144	100.0
135.08081	3.5
135.11717	17.4
137.09602	3.4
137.13286	2.6
139.11203	5.9
139.59174	2.7
143.08632	6.2
145.05029	6.5
145.10185	20.1
147.04411	2.8
147.08064	3.0
147.11722	22.5
149.09686	4.2
149.13264	11.1
151.07597	4.0
151.11217	8.5
152.11017	2.5
153.12746	16.5
155.08598	2.4
156.09346	2.4
157.10187	3.5
159.02902	3.3
159.08063	4.0
159.11697	21.9
161.13249	4.9
163.11224	6.5
163.14899	2.8
166.08148	2.5
171.11681	2.9
173.13307	4.1
175.11298	4.4
175.14864	2.9
189.16415	3.9
191.14432	4.1
191.17964	8.6
195.67317	2.3
201.16367	22.5
201.17708	2.1
203.70485	2.4
209.15390	3.2
209.18985	3.0
213.04088	2.7
219.13907	3.1
219.17442	35.9
220.06013	3.5
231.05003	4.1
237.14981	4.6
237.18483	28.8
242.56989	2.5
259.40674	2.2
291.73111	2.3
467.22943	3.1
485.20377	5.1
485.33313	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	18.7
55.01880	13.9
55.05533	32.3
57.03441	18.8
59.05004	7.3
61.02935	12.4
66.25896	6.2
67.05499	34.1
68.99802	10.2
69.03441	56.8
69.06734	6.1
69.07059	31.5
69.55229	35.3
70.06608	19.4
71.05007	40.3
72.08179	9.5
79.05502	33.9
81.03423	71.4
81.07063	99.4
83.04979	29.5
83.08646	8.9
84.08128	6.6
85.02909	83.7
85.06541	12.2
86.09723	6.7
87.00838	34.3
87.53563	5.5
91.05485	35.9
92.72575	5.9
93.07054	62.5
95.04988	23.0
95.08600	47.3
97.02924	58.5
97.06551	23.7
97.10165	5.8
98.20724	6.9
99.04481	16.1
99.08115	8.5
105.01901	16.7
105.07040	74.5
105.48672	5.1
107.08620	48.9
109.02875	46.1
109.06538	12.3
109.10164	52.0
110.33038	6.5
111.03645	6.5
111.04443	6.8
111.08130	19.3
113.05972	6.5
113.95306	6.0
115.03889	6.3
117.07055	10.9
119.08582	64.0
121.06514	7.0
121.10158	70.2
123.04457	6.7
123.08108	7.4
123.11729	42.5
125.09671	21.5
127.03920	71.5
129.01855	6.4
129.07098	6.7
131.08585	21.0
133.10138	100.0
135.08073	6.9
135.11726	26.8
137.05940	9.6
137.09625	12.3
139.11253	10.4
143.08670	10.0
143.10695	10.5
144.09340	7.4
145.05005	11.7
145.10139	33.8
147.04436	11.2
147.08104	6.1
147.11696	90.2
149.09634	13.2
149.13348	13.3
151.07585	9.1
151.11243	13.3
153.12756	13.4
159.02957	15.1
159.11696	45.8
161.09764	7.6
161.13313	15.0
163.11189	15.1
165.09183	6.5
165.12793	6.6
171.11679	8.0
173.13339	15.0
175.07602	6.7
177.05553	7.0
177.12831	7.5
183.11646	5.9
187.11142	7.5
191.18005	9.5
193.62166	6.8
201.16389	34.3
203.18028	8.5
208.97682	5.9
219.17442	87.0
237.14832	9.7
237.18544	37.5
344.80371	7.6
359.14154	7.0
388.99606	7.6
408.25995	5.9
485.13757	13.3
485.19986	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.1
55.05501	8.3
57.03435	8.8
61.02931	21.6
67.05505	9.9
69.03419	9.7
69.07073	10.8
69.99365	7.7
69.99747	9.4
71.05018	18.8
71.05467	4.0
73.02917	11.3
75.04485	6.0
78.29750	3.5
79.05492	9.2
81.03386	6.2
81.07056	14.1
83.04963	12.9
85.02430	6.6
85.02914	100.0
91.03974	31.0
91.05492	11.0
93.07074	6.6
95.01330	13.7
95.04944	5.4
95.08613	7.6
97.02896	35.5
97.06531	6.9
98.21507	5.6
99.04453	4.0
103.01764	4.1
105.07034	7.7
107.08588	5.8
109.10163	5.5
111.04449	5.0
119.08527	9.3
121.10170	6.9
127.03910	20.6
129.05472	18.4
131.08501	4.8
141.01833	44.0
145.04968	14.3
145.10130	4.9
147.06511	13.4
153.05457	5.8
159.02899	9.6
163.06006	36.1
168.10168	7.3
195.02066	4.9
201.74168	4.0
285.91992	9.3
450.21127	4.1
450.28064	4.0
453.93384	9.3
454.92926	5.9
469.14801	5.1
482.17776	4.4
483.09186	4.9
484.37830	4.5
485.16580	5.6
485.32938	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	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76559	1.9
51.80033	2.1
53.03952	12.4
55.01861	9.2
55.05512	13.1
57.03429	8.9
57.07059	6.7
61.02922	5.1
65.03925	2.8
67.05177	2.5
67.05509	27.6
68.99799	5.2
69.03084	2.7
69.03434	38.7
69.07068	12.5
70.06582	2.3
71.01357	3.2
71.04993	17.7
71.55682	2.2
71.56120	2.5
72.08150	2.1
73.02899	8.5
73.03274	2.5
79.05494	21.5
81.02983	3.2
81.03422	43.4
81.07061	100.0
83.04974	5.8
83.08609	5.5
85.02909	63.9
85.06526	4.5
85.87215	2.0
87.00840	28.2
91.03969	3.8
91.05473	15.0
93.06468	3.9
93.07047	52.7
94.84869	1.8
95.04983	13.2
95.08611	51.5
97.02892	39.5
97.06537	9.8
99.04457	12.4
99.08105	2.5
105.01881	17.0
105.03400	2.9
105.07040	29.9
107.04976	2.5
107.08592	31.8
109.02884	36.5
109.06504	9.2
109.10173	28.0
111.04411	2.9
111.08070	3.4
113.06036	3.4
115.03941	6.9
117.01886	3.7
117.07013	4.5
119.08589	25.5
121.06504	3.3
121.10159	21.1
123.04482	3.8
123.08061	8.9
123.11710	70.9
125.06030	2.6
125.09628	4.4
127.03927	52.0
129.01822	4.4
131.08559	6.0
133.10143	36.1
135.08060	3.5
135.11694	15.0
137.05933	3.1
137.09641	4.4
141.01791	3.7
143.08611	2.0
143.10696	2.0
145.04948	14.6
145.10144	12.1
147.02899	4.1
147.11694	33.9
149.09624	4.8
149.13254	8.2
151.11185	53.2
155.10678	2.8
157.10057	3.8
159.02902	21.3
159.08046	2.6
159.11734	17.0
161.13248	8.1
163.11176	2.9
165.09140	2.7
165.12791	2.6
167.10683	4.3
167.14307	6.8
171.11638	2.3
173.13249	3.8
175.14857	2.4
177.03970	2.4
177.05423	3.2
177.12730	3.0
177.16394	2.6
184.64529	2.0
187.04063	2.4
201.16437	14.8
203.17982	8.2
214.73367	2.2
219.17467	56.9
219.19583	2.9
231.05066	7.9
237.18472	9.9
247.04547	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	484.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.0
55.05506	2.3
57.07079	49.5
59.04743	1.5
59.05007	18.0
69.03398	1.3
69.07062	4.0
69.24850	5.3
69.25267	4.3
69.36966	1.0
71.08636	100.0
73.06550	2.1
77.59650	1.0
81.07055	1.3
83.08624	1.5
85.10186	56.6
87.04454	4.6
88.43360	1.1
89.06036	69.4
93.07047	1.3
95.08655	1.4
97.10175	1.1
101.73506	1.1
103.07581	4.6
105.07020	1.2
107.07100	2.5
110.06041	2.3
117.09184	1.3
126.10147	1.0
127.14853	6.7
130.08621	1.9
131.07036	2.2
133.08612	50.5
135.26753	1.2
139.03993	1.0
165.58681	1.1
166.07945	1.0
175.09633	1.6
177.11238	29.7
185.19011	10.0
188.09109	1.0
206.10219	1.0
221.13820	2.3
224.11249	1.0
229.21635	4.4
239.14801	2.8
265.16205	1.5
267.13751	1.2
273.40552	1.0
273.99756	1.1
283.17514	24.4
288.24039	1.1
323.20526	1.4
327.20178	2.5
341.21597	2.1
344.46695	1.2
416.28998	1.3
467.35767	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	484.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01861	4.1
55.05502	2.9
57.03437	6.1
57.07072	1.5
59.04995	1.9
61.02907	4.2
61.48686	0.9
62.06070	2.2
64.21942	1.4
64.59741	1.1
67.05517	5.6
69.03428	12.8
69.07062	8.5
70.06609	6.0
71.01357	1.4
71.04981	1.5
71.08633	45.5
72.08150	3.1
73.02916	22.3
79.05486	3.2
81.03424	6.5
81.07062	5.9
83.04995	1.3
84.08129	2.1
85.02905	27.3
85.06525	2.3
87.04496	1.3
91.03918	1.3
91.05459	3.4
93.07043	3.7
95.04974	2.6
95.08592	2.8
97.02299	1.5
97.02898	23.3
97.06509	1.1
97.10143	1.4
99.04460	2.0
99.08096	100.0
103.03918	1.5
105.07004	2.6
107.04955	1.4
107.08571	2.8
109.02859	3.6
109.06519	1.7
109.10156	5.4
115.03919	6.3
119.08569	3.2
121.10141	2.5
127.03902	12.5
129.11879	1.6
129.12769	18.9
129.46014	1.1
133.04984	8.2
133.10109	1.9
135.11696	3.1
145.04977	8.5
145.10085	2.2
147.11705	1.5
155.14287	2.4
157.10170	1.3
162.09952	1.9
163.06079	1.7
163.11205	1.8
165.12798	1.4
173.15384	68.6
197.61084	1.1
218.16214	1.7
223.05836	1.7
229.14415	1.9
231.47594	1.5
241.07109	2.5
255.15852	2.0
259.08246	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
55.05512	1.4
57.03442	6.4
60.04530	1.2
61.02934	5.6
62.72812	1.0
65.03931	2.1
67.05503	15.1
69.03436	13.9
69.07065	2.2
70.05581	2.0
70.06000	3.2
70.06600	3.0
71.01344	1.5
71.04985	4.2
72.08136	1.6
73.02922	32.7
79.05461	1.2
79.54386	0.9
81.03401	4.0
81.07038	1.4
84.08158	5.0
85.02421	1.8
85.02907	23.2
85.06544	19.0
85.45071	1.0
85.53661	0.9
86.09696	1.1
87.04475	2.4
91.03958	1.8
91.05504	1.1
95.04362	2.1
95.04968	32.2
95.08598	1.0
95.67142	1.1
97.02904	18.7
98.06071	1.3
98.21389	2.0
99.04449	1.8
99.08068	1.3
109.02885	2.5
113.06026	4.4
115.03940	10.7
118.06545	1.5
127.03905	7.7
127.07551	14.9
128.07085	2.4
132.08066	1.2
133.04974	9.8
137.06026	1.4
141.05470	31.0
144.06544	2.6
145.04979	7.8
147.04428	1.8
150.07623	1.1
155.07039	100.0
159.06456	2.7
159.80507	0.9
160.07600	3.2
162.07654	1.7
163.06036	4.1
173.08110	57.3
180.08688	2.8
223.05956	1.2
224.39319	1.2
259.08261	1.6
484.25522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01862	2.9
55.05507	1.5
57.03447	5.3
60.04539	1.2
61.02925	4.8
65.03932	1.4
67.05513	14.0
69.03435	13.7
69.07069	1.7
70.06598	5.1
71.01347	1.5
71.05003	2.0
71.55372	0.9
72.08154	3.0
73.02922	26.1
79.05492	1.7
81.03411	2.8
81.07063	2.3
82.06580	2.3
84.08143	6.3
85.02911	22.8
85.06516	1.0
86.09682	1.7
87.04458	1.8
91.03956	1.3
91.05476	1.3
93.07040	0.9
95.04973	17.4
95.08590	2.0
96.04462	1.3
97.02901	17.6
97.06533	1.3
98.06070	0.9
98.09702	3.4
99.04449	2.1
99.08088	1.8
100.07662	1.0
103.03944	1.1
107.08559	1.4
109.02865	2.3
109.10155	1.3
110.07191	1.1
112.07628	0.9
113.05991	3.2
115.03918	7.8
119.04918	1.2
119.08593	1.6
120.08068	1.3
122.02643	0.9
124.07602	0.9
127.03911	8.1
127.07594	4.1
128.07103	8.8
129.05518	1.3
133.04994	6.5
133.10138	1.1
135.08026	1.2
136.07629	4.3
137.05980	2.4
141.05475	100.0
144.06578	2.0
145.02913	1.8
145.04959	6.5
147.04431	3.0
147.11595	1.0
147.55713	0.9
150.07677	1.9
155.07043	86.6
159.06548	5.6
162.07613	1.5
163.06067	1.6
164.07034	5.0
165.07443	2.9
173.08113	31.1
177.05493	1.7
179.03380	3.7
180.08694	1.7
182.08154	2.1
192.06645	1.0
207.07748	1.5
220.59460	0.8
294.12024	1.5
312.12885	0.9
327.12448	1.1
391.04993	0.9
412.25204	1.0
448.27081	1.4
456.39554	0.8
484.26459	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38807	2.3
55.05519	26.2
57.03432	8.3
57.07071	11.6
61.26774	2.7
62.58854	2.4
65.31127	2.2
65.58005	2.4
66.39402	2.6
67.05497	5.4
69.07076	21.9
69.31591	20.2
71.08638	5.5
81.07079	4.1
83.08624	25.9
85.10226	2.5
93.07050	3.1
95.08613	3.9
97.06509	4.3
97.10190	18.1
98.98460	13.9
111.11760	4.3
116.34906	2.6
121.10133	3.6
155.01060	5.0
156.07121	2.6
183.06635	3.1
219.87810	2.8
267.39648	2.9
311.25815	100.0
447.25299	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	483.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	6.9
57.07079	100.0
58.04210	3.5
59.05004	58.0
67.05499	3.1
69.07056	7.2
71.05386	4.3
71.08634	92.7
73.02911	3.2
79.05495	3.1
81.07044	4.6
83.08607	6.6
85.10183	84.1
87.04430	2.1
89.06030	14.7
90.01908	16.2
95.08598	7.5
97.10163	7.9
99.11728	9.9
101.09650	2.6
117.09135	15.1
122.87229	2.1
125.09686	3.4
133.08575	6.9
141.16374	2.8
145.10014	2.9
155.17966	2.7
161.23563	2.0
177.11098	2.2
189.11205	5.6
199.20660	10.4
257.24814	10.3
273.24005	2.7
283.17502	3.1
284.17899	2.8
301.66205	2.5
483.36807	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01880	2.0
55.05269	1.5
55.05516	20.3
57.03438	4.0
57.07079	10.7
63.12925	1.2
64.84715	1.6
65.03939	1.7
67.05505	12.2
69.03429	3.3
69.07074	37.3
70.81420	2.3
70.94038	1.1
71.08636	6.5
76.27998	1.3
79.05487	6.5
80.07259	1.3
81.07056	26.5
83.01331	3.9
83.04964	3.6
83.08627	18.0
85.10175	2.3
87.41129	1.3
91.05472	3.5
93.07050	4.8
95.04966	2.2
95.08612	23.4
97.06540	7.4
97.10188	14.9
105.07049	3.1
107.04995	2.0
107.08630	2.6
109.02886	2.4
109.06556	3.0
109.10168	12.5
111.04437	8.3
111.11720	9.7
112.69827	1.2
119.04953	1.8
119.08591	2.0
121.06470	2.3
121.10237	1.7
123.04456	1.5
123.11715	8.8
125.05988	4.2
125.13299	3.0
127.03913	4.0
131.08578	1.7
133.10156	2.5
135.04431	13.3
135.11746	1.6
137.05983	4.0
137.13287	3.8
139.03923	15.6
139.07535	16.1
139.14833	2.1
141.05402	1.6
145.10127	1.6
151.07553	2.6
151.11194	1.5
151.14832	2.8
153.05481	32.4
155.07034	5.0
159.11725	1.5
161.09621	1.3
161.13310	1.5
165.05484	13.7
166.05713	1.2
167.07054	16.9
171.06531	100.0
173.09682	1.8
177.09196	1.8
179.10681	3.5
181.96825	1.3
183.06483	2.9
191.10742	1.5
205.12334	1.7
207.10204	1.9
209.11737	2.0
217.12228	1.4
219.13872	1.4
221.11816	1.5
235.13396	1.6
239.12787	1.6
299.27524	1.8
309.20712	1.8
311.25885	7.4
373.31146	2.6
401.34079	2.3
411.32571	2.6
429.33676	23.3
430.33893	1.8
447.34717	16.3
465.35794	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.2
55.01876	5.0
55.05515	11.6
57.03440	5.6
57.07071	1.3
61.02931	4.6
67.05507	5.5
68.99795	2.8
69.03078	1.8
69.03434	31.0
69.07079	4.4
70.03744	1.0
70.06590	2.0
70.20410	1.1
70.20766	3.1
71.01362	1.0
71.04994	3.8
72.08161	1.9
73.02924	6.2
75.14665	0.9
79.05495	6.9
81.03425	33.0
81.07065	13.6
83.05000	3.5
83.08614	2.2
84.08150	2.4
85.02911	41.1
85.06556	2.1
87.00830	16.8
87.04527	1.1
91.03976	1.6
91.05489	8.4
93.07050	8.1
95.04987	9.9
95.08627	8.7
97.02898	16.7
97.06527	4.3
97.10179	1.8
99.04460	10.3
103.03871	0.9
103.05445	1.4
105.01883	12.7
105.07034	12.7
107.08606	9.9
109.02889	29.2
109.06516	3.9
109.10169	5.4
111.04473	1.0
111.08144	2.2
115.03918	1.7
115.05489	1.1
117.01862	2.8
117.07035	2.0
119.04905	1.0
119.08584	12.8
121.06519	2.2
121.10146	9.8
123.08065	3.7
123.11725	1.6
125.06014	1.7
127.03926	45.5
128.06230	1.6
128.07118	1.1
129.01860	4.5
129.07011	3.5
131.08594	5.7
133.10138	16.9
133.11087	1.4
135.08073	3.3
135.11700	3.4
137.06006	1.9
137.09633	2.9
142.07796	2.7
143.08566	4.3
145.04970	16.0
145.06218	1.1
145.10158	5.7
147.02908	3.0
147.04411	1.2
147.08038	6.8
147.11690	5.2
149.09637	14.5
149.10777	1.9
149.13190	1.0
155.41626	0.9
156.09369	1.6
157.10132	4.5
159.02911	18.5
159.08058	1.1
159.11708	4.9
161.09618	15.3
161.13297	2.3
162.10414	8.5
163.11246	7.5
164.07002	1.0
169.10133	1.4
171.11725	4.1
173.09666	1.7
173.13274	3.5
174.14163	1.1
175.11209	7.2
175.14793	4.1
177.03932	1.5
179.10626	4.8
181.10074	1.0
184.12656	1.3
185.09604	1.0
189.16383	3.1
199.14813	5.8
202.13564	1.5
213.04007	2.3
215.14334	0.9
217.15892	100.0
218.16205	1.5
219.17525	3.4
231.05025	10.2
235.16914	8.3
238.23238	1.0
259.16888	1.2
277.18057	1.3
413.04010	0.9
465.21085	2.0
483.15906	2.0
483.22232	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01875	7.0
55.05509	10.2
57.03432	4.2
61.02889	2.7
62.42597	0.6
67.05508	4.6
68.99767	2.9
69.03429	31.8
69.07069	4.5
70.06568	1.6
71.04992	4.1
71.55854	0.9
72.08134	1.2
73.02911	6.9
79.05505	3.7
81.03419	35.5
81.07056	11.9
83.04988	3.8
84.08105	2.7
85.02907	43.6
85.06528	1.6
85.08450	0.8
87.00322	1.1
87.00829	19.3
87.04456	0.8
91.03949	1.4
91.05062	0.6
91.05479	7.4
93.07047	7.9
95.04948	5.1
95.08588	5.3
97.02898	19.9
97.06533	4.5
97.10124	2.2
99.04449	11.3
101.02331	1.1
105.01865	11.5
105.07040	13.2
106.07342	0.9
107.04976	1.2
107.08601	8.4
109.02882	29.1
109.06490	3.0
109.10155	4.3
111.04386	0.9
111.08081	2.0
115.03947	0.8
115.05440	0.9
117.01837	3.1
117.06996	2.1
119.04877	0.9
119.08580	11.2
121.06486	1.7
121.10156	8.1
122.06020	0.9
123.08028	3.1
123.11707	0.9
125.06007	0.9
125.09614	1.6
127.03916	49.5
128.06192	0.9
129.01826	4.3
129.06950	2.1
131.08557	5.7
133.06488	1.2
133.10133	15.7
135.04428	0.7
135.08096	3.6
135.11665	2.9
136.07614	0.8
137.05939	1.4
137.09564	2.3
141.06870	0.7
142.07761	2.2
143.08551	3.5
144.09303	1.2
145.04959	19.2
145.10107	4.2
147.02885	4.4
147.03937	0.7
147.04466	0.7
147.08043	8.6
147.11728	5.1
149.08423	0.8
149.09619	15.3
151.11206	0.8
156.09309	1.7
157.10132	5.0
158.10818	0.8
159.02896	20.0
159.08041	1.3
159.11703	4.8
161.09608	16.9
161.13240	1.9
162.10390	7.9
163.11217	7.6
163.14784	0.8
165.09149	1.1
165.12729	1.2
167.07039	0.9
169.10139	1.1
171.11658	3.3
173.09677	0.9
173.13264	3.3
174.14075	0.7
174.53648	0.8
175.11189	6.1
175.14848	4.6
177.03954	1.1
177.05411	1.0
179.10645	4.2
184.12457	1.1
187.11226	1.4
189.03960	1.5
189.09126	0.9
189.16380	3.2
193.12183	1.1
199.14780	4.7
202.13530	2.1
213.03941	2.6
217.15877	100.0
218.16096	1.6
219.17438	2.9
221.11797	1.0
222.31670	0.7
231.04987	12.0
235.16971	7.8
249.06157	1.0
259.16876	0.9
286.17267	0.9
427.16010	1.8
439.23453	1.3
465.21014	2.5
483.22260	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44099	1.1
51.86096	1.3
54.08163	1.2
57.00010	1.3
64.49565	1.2
67.27028	1.1
69.03419	2.3
70.06581	2.4
70.99863	1.6
71.54179	2.0
72.08163	2.1
81.03400	1.9
82.99873	2.5
84.04505	1.6
85.02885	2.2
97.02892	2.3
98.97591	3.5
101.00877	14.5
109.02885	1.3
113.00868	4.2
114.11269	1.3
115.02453	5.8
116.07090	2.3
119.01929	27.9
126.05515	1.5
127.02432	2.5
129.03996	1.4
131.01909	15.6
133.03479	20.5
136.07532	1.6
137.00874	1.5
137.02931	3.0
143.01915	25.1
145.03522	17.2
147.05078	1.6
149.02986	2.8
151.04535	3.2
154.89937	1.4
155.01903	20.0
157.03459	10.8
159.05109	1.4
161.02969	24.0
163.03954	2.1
167.01924	8.3
169.03484	4.4
171.05080	2.3
173.02977	27.6
175.04550	19.7
177.02420	1.3
179.01953	3.9
183.04990	1.7
185.02968	44.2
187.04549	7.2
197.02991	15.5
199.04538	2.5
201.02454	17.5
201.06221	2.9
203.04007	11.4
211.04628	2.7
213.02513	4.0
215.04036	6.6
217.05620	3.8
219.03523	48.2
221.05063	3.7
227.04005	10.6
231.03529	4.8
235.06615	2.9
237.02492	1.5
237.04596	1.6
243.03441	1.6
245.05096	100.0
246.05243	3.2
247.07031	1.6
249.04640	6.2
257.05099	7.0
261.04681	12.9
263.06186	13.4
274.58374	1.4
275.03897	1.5
275.06180	14.2
277.07742	5.5
279.05554	5.2
291.05502	1.9
293.07178	3.3
295.08679	5.6
303.05734	12.5
305.07236	10.6
321.06784	17.4
321.10400	3.3
335.08154	3.9
337.09891	2.5
339.29016	1.4
363.07782	2.5
365.09030	4.5
367.02274	1.5
423.29010	1.5
483.12637	7.0
483.17493	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	483.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
57.03424	1.3
58.27692	1.2
59.23322	1.0
59.90900	1.1
61.02926	2.6
67.05503	2.7
69.03430	5.7
69.28310	1.1
70.06578	2.5
71.53652	1.1
72.08162	4.2
72.10178	1.0
73.02923	1.5
79.05492	1.3
81.03415	3.6
82.06597	1.0
83.04981	2.0
84.04506	12.0
84.08147	1.5
85.02920	12.1
91.05477	2.7
93.07066	1.2
94.06572	3.8
95.04967	1.0
95.07338	1.1
96.08143	3.7
97.02878	5.0
98.06055	2.4
101.05943	1.2
103.05481	1.6
108.08125	2.4
109.02888	1.6
110.06056	3.0
110.09691	5.2
111.04446	1.6
114.67111	1.1
120.08112	8.5
122.06039	4.0
124.07578	1.5
126.05533	10.6
127.03888	1.8
136.07602	3.9
138.05498	7.4
138.09152	24.2
139.03903	4.6
146.06027	1.8
147.04424	1.6
148.07562	2.2
156.06557	22.6
166.08652	34.3
172.07617	1.2
175.08664	3.1
176.72984	1.1
188.07042	3.9
188.10788	2.8
194.09682	1.1
196.09985	4.8
198.07582	1.3
199.08598	1.2
200.07127	4.7
202.12320	1.4
204.08615	1.6
205.09816	1.8
206.08418	10.4
210.07796	1.1
211.12332	6.0
216.10208	4.0
220.09897	1.7
221.10745	4.2
223.08734	2.4
224.09464	3.7
225.10201	2.0
226.11008	1.8
227.08162	2.4
230.11765	1.5
232.09711	2.1
234.11272	6.0
237.10263	2.0
238.10999	4.7
239.11830	13.8
240.10236	1.7
241.09634	1.9
243.11153	1.2
244.09697	1.6
246.07565	2.0
253.61324	1.2
254.10390	1.6
257.12878	1.9
258.11249	6.1
262.10843	7.6
263.10281	3.5
267.11292	34.3
271.10727	1.3
272.11615	3.0
275.13812	1.4
276.12347	8.8
280.12857	4.9
285.12350	26.2
290.12708	1.8
303.13376	23.3
304.11792	10.6
321.14453	100.0
322.14713	1.1
339.11249	2.5
346.30600	1.4
375.94345	1.1
483.14935	4.7
483.20883	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	481.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05291	2.3
55.05518	21.0
56.05774	1.6
57.03419	2.6
57.07077	16.4
60.78298	1.7
65.03959	3.5
67.05519	10.0
69.07074	40.5
70.72705	4.8
71.08630	11.8
79.05495	5.7
81.07063	17.3
83.04995	11.8
83.08624	25.4
85.06539	2.6
85.10196	5.1
89.06039	4.7
89.81178	1.6
91.05524	3.8
93.07043	5.2
95.04946	2.0
95.08619	19.8
97.06514	3.8
97.10180	17.0
99.04459	4.7
105.06995	3.9
107.04965	6.5
107.08620	5.0
109.06506	4.6
109.10168	9.3
111.04441	16.0
111.11728	8.5
117.07028	1.7
119.08576	4.8
121.06546	4.0
121.10159	4.7
123.04406	2.4
123.08091	5.3
123.11731	4.0
125.02361	8.6
125.06000	14.6
125.09580	2.2
125.13280	3.0
127.03917	4.2
135.04434	4.5
135.08072	2.6
135.11690	2.1
137.06001	4.7
137.09694	2.4
137.89165	1.6
139.00227	1.7
139.03909	4.9
139.07582	2.9
145.10139	2.1
147.11685	2.0
149.09618	3.0
149.13301	2.5
151.07550	4.8
153.05484	100.0
155.06978	1.9
159.11797	2.5
161.09715	2.7
161.13283	1.9
165.09123	3.8
167.07098	11.9
167.10614	3.5
169.04979	2.8
175.11263	1.8
177.09116	2.5
181.04996	7.5
181.08615	7.7
181.10091	1.7
187.06004	5.8
193.12343	2.2
195.10164	8.9
199.06036	97.7
205.12180	2.4
207.10149	2.2
207.13799	3.2
209.11816	3.8
213.07607	12.5
215.14587	2.0
217.12126	1.8
219.13718	2.1
223.09686	2.8
223.13248	2.5
227.09158	5.5
237.14864	3.4
241.10670	6.9
249.11040	2.0
251.13083	1.8
251.16336	1.9
255.12372	15.3
265.18109	1.9
267.12277	4.3
269.13904	7.4
279.19547	3.3
281.13861	2.6
283.15326	4.7
293.20840	2.2
295.15604	2.5
297.17068	3.5
309.16742	2.1
311.18521	8.7
323.18484	2.5
325.20102	10.8
337.20135	5.0
339.21680	6.0
341.30585	2.4
351.21695	5.8
353.23233	5.4
365.23059	2.9
367.24936	5.1
379.24701	4.0
381.26392	6.5
395.27747	2.6
445.33237	3.0
463.34229	52.5
464.35037	2.3
481.35315	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01869	3.4
55.05301	2.1
55.05516	24.0
57.03429	2.1
57.07078	21.8
65.03924	3.4
67.05505	16.8
69.03437	3.0
69.06725	2.9
69.07072	43.4
69.10687	1.8
71.05029	1.8
71.08640	13.9
71.56876	2.0
77.35820	1.9
79.05495	5.3
81.07057	24.3
83.01323	2.5
83.04992	14.9
83.08620	25.9
85.06572	2.1
85.10191	10.1
89.06034	3.9
92.35603	1.8
93.07043	8.6
95.08621	20.7
96.54321	1.7
97.06507	3.8
97.10156	15.8
99.04456	5.3
105.07045	6.7
107.04964	4.3
107.08619	4.5
109.10149	11.3
111.04446	16.9
111.11709	12.9
116.54489	1.8
119.08587	5.6
121.06515	4.4
121.10158	7.2
123.08052	5.2
123.11713	5.6
125.02346	13.8
125.06011	16.9
125.09637	3.4
125.13284	3.5
127.03928	7.6
131.08524	2.1
133.10158	2.7
135.04451	5.4
135.11705	2.8
137.05995	3.2
137.13266	3.2
139.03873	14.5
141.05437	1.9
145.10118	4.5
149.05971	3.1
149.09622	3.0
151.03874	2.9
151.07532	2.6
151.14700	2.3
153.05472	100.0
161.13312	2.5
161.93681	1.9
163.03857	2.2
163.11198	2.0
165.09193	3.6
167.07050	11.3
167.10706	1.9
169.05013	4.2
171.11691	2.4
177.05400	2.2
177.09140	2.1
179.10675	4.0
181.04973	8.0
181.08543	11.5
182.63560	1.9
185.09886	2.1
187.06033	9.4
191.10724	2.5
193.08572	3.0
193.12216	3.0
195.06543	2.5
195.10178	7.1
199.06024	91.7
209.11726	7.9
213.07617	10.5
223.13229	4.4
227.09242	3.2
236.38841	2.1
237.14996	4.2
240.08376	2.3
241.10716	8.5
255.12297	9.4
263.16437	2.3
265.17984	3.5
267.12341	5.6
269.13861	7.1
281.13806	4.8
283.15256	4.8
293.20914	2.5
297.16956	3.5
311.18521	8.1
323.18625	3.4
325.20135	12.1
337.20200	5.7
339.21634	7.9
351.21844	4.6
353.23325	4.7
365.23169	2.8
367.24771	6.4
381.26505	3.3
389.30142	3.3
393.26489	2.4
403.31982	2.7
407.27747	4.1
417.33542	4.8
445.33023	4.7
454.25848	2.2
463.34229	44.2
481.35077	30.1
481.94073	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	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01862	2.3
55.05517	4.2
57.03450	5.9
59.04992	1.3
61.02924	1.9
67.05512	4.7
69.03075	1.5
69.03434	20.2
69.07076	4.5
70.06597	13.4
71.04995	12.6
71.55431	1.3
72.08150	3.0
73.02928	4.0
73.06561	3.8
74.06057	0.9
79.05504	6.2
81.03423	12.1
81.06583	1.2
81.07064	20.2
82.06583	0.8
83.04978	2.7
83.08620	3.7
84.04519	0.8
84.08136	2.8
85.02914	19.5
86.09706	1.7
87.04483	9.1
91.05472	7.6
91.47233	0.9
93.07055	13.3
95.04960	5.2
95.08608	4.9
97.02899	21.6
97.03876	1.0
97.06541	3.8
98.03228	0.9
99.04455	2.0
102.05602	0.9
105.07007	4.2
107.04986	1.4
107.08607	11.5
109.02872	3.8
109.06513	0.9
109.10166	2.7
111.04433	2.2
111.08101	2.4
112.07616	1.2
115.03937	21.7
119.08564	4.5
120.08080	2.8
121.06524	1.0
121.10140	3.1
122.06086	0.9
123.08065	0.8
123.11704	1.5
127.03939	5.6
127.52352	0.8
128.07088	1.0
129.06979	1.3
130.08632	1.4
131.08539	2.2
133.04980	18.5
133.10097	3.9
135.08006	1.2
135.11711	18.9
136.06296	0.8
136.07524	0.9
137.05980	2.7
137.09625	3.2
139.03932	1.4
140.07059	1.4
143.08475	0.8
145.04993	4.0
145.10191	0.8
147.04401	1.6
147.11696	3.3
149.09625	1.4
153.12758	100.0
154.13055	0.9
156.10095	0.9
157.10153	2.7
158.06108	1.0
163.03874	1.7
167.07095	1.0
171.13821	1.6
173.13174	1.1
175.06178	1.0
175.11214	2.6
177.05531	1.7
193.12227	8.8
211.13350	6.2
217.15869	1.1
241.07077	1.7
259.08093	2.3
267.16049	2.5
277.09174	1.5
285.16968	29.8
286.17535	0.9
295.10339	1.7
298.79974	0.9
301.29675	0.8
302.03809	1.0
303.05045	1.1
313.11826	3.5
415.45557	0.8
422.05603	1.2
482.18219	1.3
482.28140	4.9
483.09286	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05508	2.5
57.03422	1.2
61.02939	0.9
67.05510	5.3
69.03432	3.7
69.07060	2.9
70.06604	4.2
71.55701	1.2
72.08153	3.1
76.41454	0.7
79.05497	2.9
81.03417	3.4
81.07065	6.0
83.05002	1.5
83.08628	0.7
84.08155	1.7
85.02917	3.7
85.06551	1.6
86.09676	1.4
91.05476	3.6
93.07063	3.8
94.41736	0.7
95.04975	2.5
95.08606	6.5
97.02889	4.6
97.06522	1.1
99.04500	1.1
101.07943	0.7
105.07019	5.5
107.04955	1.4
107.08605	4.3
109.02892	2.4
109.06499	1.9
109.10165	7.4
109.69666	0.8
110.07148	0.8
110.09737	0.8
113.06029	0.7
119.04893	1.1
119.08588	14.3
119.52274	0.8
120.08138	2.2
121.10165	3.4
123.04436	1.2
123.11707	1.3
124.07603	1.3
127.03911	2.3
129.06979	0.9
131.08612	1.7
133.10132	13.7
135.08075	1.3
135.11682	3.7
136.07567	1.1
137.02408	1.7
137.05983	7.4
137.09616	2.1
145.02806	0.9
145.10109	2.1
147.04413	2.5
147.11682	6.3
149.09659	1.9
152.07132	1.0
153.01778	0.8
153.05479	1.1
157.10097	1.6
159.11694	1.1
160.12601	0.9
161.06046	1.0
163.11215	1.6
167.07088	1.3
171.11745	0.9
173.13377	1.2
175.14864	9.2
177.05476	1.9
193.12137	0.9
203.05322	1.2
211.14981	0.9
215.14346	1.2
245.06276	4.8
259.09625	0.8
267.68896	0.8
271.02399	2.7
285.17050	0.9
287.03693	4.3
289.05304	100.0
291.09262	0.8
299.09311	2.4
302.04077	0.9
303.04779	2.1
304.04782	1.1
313.11676	1.0
317.06732	1.4
318.06882	1.2
319.06973	2.6
319.12982	1.0
347.05396	0.9
365.06699	0.9
409.05594	1.4
417.68045	0.8
421.05508	17.8
421.10803	1.2
437.21512	1.9
481.08148	11.2
481.20526	58.9
482.20630	1.9
497.37839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20972	2.1
55.05522	4.0
57.07081	100.0
59.05008	31.1
63.65203	2.7
71.08639	66.9
71.56715	2.8
73.02927	29.6
80.03677	2.2
83.08635	4.5
85.10188	64.6
89.06036	4.1
97.10129	2.8
99.11741	10.5
101.09720	2.8
113.13293	5.7
117.09151	14.6
136.35733	2.3
150.34280	2.3
155.17946	7.5
161.11926	2.3
175.09604	3.1
180.75252	3.0
188.39961	2.3
213.22179	9.3
245.72771	2.5
271.26373	11.4
332.19998	2.6
480.35342	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	480.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54977	2.2
55.05515	3.8
57.03439	3.7
57.07082	100.0
59.05006	59.8
67.05501	4.8
69.07092	5.8
71.08636	73.8
71.56496	2.8
71.56899	2.9
81.07077	3.7
83.08651	6.6
85.10192	60.2
86.69306	2.5
92.51882	2.5
95.08595	5.8
97.10183	4.9
99.11745	13.5
107.01638	2.4
107.74452	2.0
109.10126	2.9
113.13261	4.2
117.09146	22.4
119.08600	2.6
125.09629	2.6
135.11722	2.6
150.70232	2.6
155.17984	10.0
159.11771	2.6
172.43243	2.4
175.13362	5.9
178.47334	2.6
184.54358	2.4
211.39198	2.3
213.22112	14.0
271.23660	2.7
271.26236	15.0
391.10867	2.6
463.39117	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	481.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50751	1.1
56.05028	1.7
60.05633	1.2
61.27721	1.2
65.00346	1.2
69.03432	2.8
70.06597	5.3
71.54778	1.2
72.08164	2.9
83.06104	2.4
84.04504	1.8
85.02929	3.4
95.06091	1.8
97.02901	2.9
104.67859	1.1
106.00945	1.2
109.02898	2.0
110.28631	1.2
111.05582	5.5
113.07139	2.5
116.07097	1.5
122.06041	3.0
126.06663	1.9
127.03899	1.5
132.04466	9.5
134.06067	3.4
134.16728	1.2
136.07547	2.8
147.04378	1.4
150.05545	5.1
151.06178	2.5
163.03958	1.5
164.07240	1.2
165.06763	1.9
168.06674	2.3
174.05565	1.8
176.07191	1.7
182.08102	1.6
183.08459	1.4
187.08737	3.1
202.09811	2.8
203.08266	1.7
229.09538	1.9
230.09334	2.1
231.07658	18.6
233.14000	5.7
234.12398	1.2
255.11221	1.4
257.10297	4.2
259.11948	21.5
260.10410	1.5
277.12970	81.5
284.11490	4.4
289.11835	2.3
302.12503	52.7
317.11353	5.4
319.15170	100.0
320.15561	2.8
327.12857	2.0
373.14026	2.4
427.14996	2.4
445.15887	2.1
463.17163	4.3
481.13382	2.3
481.20419	53.2
482.20764	3.0
497.30710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
55.01880	1.0
55.05301	0.4
55.05516	3.5
56.05002	0.5
57.03427	2.0
57.03675	0.5
57.07076	0.5
60.04506	1.0
60.48806	0.4
61.02909	2.0
67.05183	0.5
67.05508	5.1
69.03409	1.9
69.07068	2.9
69.58194	1.3
69.58598	1.3
70.06596	3.0
71.04962	1.0
71.15218	0.4
72.08133	1.2
73.02924	1.0
79.05493	8.5
81.03413	1.7
81.06647	0.6
81.07063	7.6
83.04975	1.5
83.08625	3.5
84.08120	1.2
85.02905	3.5
86.09694	1.6
91.03946	0.9
91.05463	2.9
93.06474	0.9
93.07048	14.6
95.04976	2.7
95.08607	16.3
97.02898	3.5
97.06516	2.0
97.10140	0.7
98.20754	0.6
99.04460	2.4
105.01877	1.0
105.07037	2.8
107.04958	4.1
107.08601	11.9
109.02869	0.7
109.06506	1.1
109.10162	2.2
110.07169	2.5
111.04447	0.9
111.08073	0.6
117.07021	4.3
119.08592	4.9
121.06496	2.6
121.10133	6.4
122.02694	0.6
123.11703	1.4
125.05978	1.4
127.03923	1.5
131.04939	0.8
133.10100	1.2
135.08040	0.8
135.11702	22.7
136.06175	0.6
136.07645	0.5
137.05963	1.3
137.09598	0.5
139.07483	1.2
143.08559	0.7
145.10127	12.9
145.11284	0.7
147.04457	0.6
156.07655	0.7
163.11188	35.5
165.94023	0.5
169.93686	0.5
173.09605	0.6
176.33459	0.5
179.17868	0.7
181.12236	7.4
188.12810	0.7
209.11732	0.9
227.12790	49.2
228.13171	0.7
283.15405	100.0
284.15701	1.4
301.16385	2.4
318.07111	0.8
318.13162	0.9
319.02884	0.8
348.10522	0.7
394.19144	0.5
436.20410	1.1
480.18484	32.6
481.19107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01883	12.2
55.05502	6.1
57.03439	25.7
59.04993	6.0
61.02930	20.1
67.05499	11.8
69.03081	3.6
69.03434	61.6
69.06721	4.0
69.07072	60.4
69.91036	9.0
70.06593	6.1
71.01357	5.7
71.04987	2.3
72.08122	5.1
73.02921	91.3
73.20161	2.2
74.19225	2.3
77.37675	2.5
77.38146	2.3
77.48154	2.9
79.05479	9.6
80.50608	2.2
81.03404	8.1
81.07064	25.0
82.06612	3.1
83.01317	2.5
83.04984	4.3
83.71317	2.1
84.08141	2.7
85.02911	100.0
85.03428	4.9
85.06585	2.8
87.04470	6.8
91.03967	5.7
91.05470	7.7
93.07050	6.5
95.04977	4.4
95.08599	8.6
97.02898	92.5
97.06544	5.6
97.10178	3.1
98.21410	4.3
99.04454	6.5
103.03945	3.6
105.07037	6.1
107.08576	8.5
109.02870	11.9
109.06539	3.0
109.10181	16.1
113.05962	3.6
115.03937	42.3
119.04931	2.9
119.08588	3.7
121.10158	5.0
123.11719	88.3
127.03926	38.5
133.04988	41.4
133.10139	4.6
137.05939	6.7
145.04968	35.5
145.10155	4.9
147.04431	14.9
149.84303	2.4
151.11188	73.7
153.05490	17.1
154.05820	7.3
161.05956	2.6
163.06021	14.2
169.12267	7.3
193.04962	3.3
199.06038	3.8
223.06015	5.8
226.06058	2.6
241.07095	8.3
259.08133	5.2
277.09158	3.1
283.15430	24.6
313.16446	3.6
314.11020	5.5
480.17441	7.5
481.20398	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	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22460	0.8
53.03936	1.3
55.01879	2.2
55.05257	0.9
55.05511	3.6
57.03429	2.2
61.02924	2.5
67.05505	5.9
69.03440	2.0
69.07066	3.5
69.48856	6.9
70.06593	3.8
70.23954	0.8
71.05015	2.0
72.08157	2.1
75.17167	0.9
79.05503	7.9
79.49144	1.0
81.03423	2.9
81.07059	8.6
81.60338	0.8
83.04993	2.3
83.08614	4.1
85.02908	3.3
86.09734	1.3
91.05481	3.9
91.76054	0.8
93.07046	16.6
95.04971	3.1
95.08609	17.5
97.02886	4.7
97.06518	1.1
97.56136	0.8
98.21476	1.8
99.04462	2.0
101.00555	0.9
105.07019	3.9
107.04975	5.8
107.08603	12.4
109.02930	1.2
109.06504	1.0
109.10163	2.4
110.07199	1.0
111.04443	1.0
117.07030	2.5
119.08599	3.6
121.06526	3.0
121.10147	8.6
125.06004	2.2
127.03953	2.0
131.08611	1.1
133.10114	1.4
135.08080	1.9
135.11693	22.9
135.44283	1.0
145.04993	1.1
145.10141	12.8
147.04475	1.1
163.11189	35.1
174.07770	0.9
177.05363	1.3
180.27780	0.9
181.12212	6.5
227.12799	48.3
232.13336	2.0
283.15414	100.0
284.15683	1.1
297.98157	1.0
303.04752	1.9
318.06821	2.3
351.47769	1.0
421.05634	1.7
445.20749	1.3
468.51389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.4
55.05513	35.1
57.07083	24.5
64.45251	3.2
67.05514	24.9
69.06722	5.7
69.07073	67.3
69.56741	14.5
69.57162	7.5
71.04987	23.0
71.08625	15.1
72.52380	3.2
79.05483	10.7
81.06587	4.1
81.07063	74.6
83.08614	38.8
85.10172	14.0
89.06046	19.2
91.49217	3.2
93.07043	10.9
95.08061	4.4
95.08615	61.0
97.06533	3.5
97.10181	38.7
98.21262	8.2
99.04456	6.8
105.07057	7.4
106.27709	3.2
107.08588	7.9
109.06508	12.9
109.10160	39.8
111.11704	23.4
119.08566	4.5
121.10133	9.6
123.08095	3.6
123.11745	26.9
125.06001	76.0
125.13277	9.3
127.03924	27.1
133.06398	3.9
133.08586	10.5
133.10114	4.9
135.08002	5.0
135.11673	6.5
137.05984	100.0
137.13243	10.1
139.07539	6.2
145.10106	7.6
149.06021	4.6
149.09673	3.8
149.13277	6.4
151.07553	5.3
151.14850	4.9
159.11685	5.5
165.16466	5.8
167.07047	52.4
174.07607	3.2
175.11238	5.3
177.09067	11.0
189.10974	3.2
189.12669	5.4
191.38264	3.4
193.12163	4.5
198.10419	4.0
207.13744	4.9
213.12822	8.2
217.90465	3.4
224.84642	3.2
227.23317	3.6
252.01895	3.4
283.17096	3.8
335.33093	4.6
383.33038	8.0
415.35583	6.4
424.83563	4.3
443.34958	4.9
461.36166	9.6
479.24292	7.0
479.34906	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	10.5
55.05517	40.3
57.07074	29.9
61.47657	2.4
63.56293	2.0
65.03964	2.5
67.05516	30.3
69.07070	63.7
69.26825	14.7
69.27252	7.9
71.05001	22.5
71.08640	19.3
76.17255	2.0
79.05499	12.9
81.07063	90.3
83.08622	45.3
85.06544	3.5
85.10167	10.5
89.06041	9.0
91.05473	6.3
93.07048	11.2
95.08607	63.9
97.06557	5.0
97.10181	34.3
99.04478	14.0
105.07037	5.3
107.08591	7.8
109.06534	17.2
109.10165	38.0
111.08096	3.2
111.11723	24.9
113.05975	3.7
113.09621	2.9
114.01438	2.1
119.08597	6.5
121.10146	11.2
123.11708	27.1
125.06005	93.4
125.13274	9.4
127.03941	28.5
131.08548	2.9
133.08614	5.4
133.10115	3.8
135.08055	3.0
135.11665	6.2
137.05989	100.0
137.13261	13.2
145.10213	3.5
147.11691	3.6
149.06003	6.3
149.13190	3.7
151.07594	10.1
151.14806	8.4
156.09377	2.7
157.10124	5.8
157.73541	2.6
159.11700	6.2
161.09695	4.8
161.13321	6.1
163.14859	5.1
165.16391	5.1
167.07063	58.3
171.11726	8.3
173.09657	3.4
175.11197	6.7
177.12700	2.6
177.16399	3.0
185.13293	2.7
189.12717	5.9
191.17958	3.9
193.12233	2.6
193.19472	2.3
195.13776	2.5
198.10405	5.9
199.14807	2.3
205.12192	3.5
213.12854	11.2
217.15944	2.5
219.13800	7.4
249.18768	2.5
283.29977	3.2
317.32138	4.4
335.33121	9.1
383.33020	3.5
397.34653	6.3
401.34296	6.5
425.34232	6.4
443.35086	5.5
461.36234	5.4
479.36816	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.337
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
53.03939	0.6
55.01876	0.5
55.05266	0.7
55.05513	8.2
57.07082	2.2
65.03944	0.5
67.05173	0.6
67.05511	8.2
69.03442	0.8
69.06722	0.6
69.07074	8.6
69.37407	1.3
69.37837	1.4
71.08623	0.4
72.08150	0.4
73.81521	0.3
79.05498	3.7
81.03416	1.0
81.07062	19.4
83.01353	0.8
83.04967	0.8
83.08640	3.4
85.02912	0.5
85.06548	2.5
91.05495	1.7
93.07037	2.3
95.01308	0.9
95.05019	0.7
95.08617	14.0
97.02923	0.5
97.06520	0.8
97.10174	1.4
99.00820	5.6
99.04462	2.0
99.08085	0.6
105.07011	2.0
107.04976	0.4
107.08594	1.7
109.02875	0.7
109.06507	1.0
109.10159	5.1
111.04362	0.3
111.11759	0.4
113.02377	1.4
117.01874	0.6
117.07004	0.5
119.08606	1.0
121.06489	0.4
121.10129	0.8
123.04459	0.4
123.11749	1.7
125.05963	0.8
127.03941	0.5
131.08633	0.7
133.06502	0.7
133.10130	0.9
135.04474	0.6
135.08060	0.9
137.06001	1.8
137.13268	1.3
139.03812	0.4
142.07745	0.4
143.08540	0.7
145.10133	1.3
147.08150	0.5
147.11742	0.4
149.02386	0.5
149.06007	1.1
149.09622	0.6
151.07562	1.0
151.14775	0.4
153.01837	0.5
153.05458	2.5
155.07039	0.7
155.08545	0.5
157.10118	0.7
159.11728	0.7
161.06032	0.9
161.09622	0.5
163.03941	1.3
163.07556	1.5
163.11151	0.4
165.09163	0.4
167.07019	0.6
167.21925	0.5
171.08032	0.5
175.07545	1.5
175.11206	0.5
177.05475	4.5
177.09102	1.4
179.10559	0.4
181.04982	10.6
183.06573	2.3
189.09134	7.4
189.12810	0.4
191.06989	1.1
191.10678	0.7
195.06548	19.8
203.10681	1.4
205.08630	0.9
207.06581	1.5
209.06093	0.4
209.08096	10.6
221.08076	1.0
223.09668	11.1
231.10312	0.6
235.09676	1.8
237.11223	12.5
249.05286	0.4
249.11243	8.2
251.12787	4.4
261.11188	0.5
263.12833	2.4
265.14319	2.1
277.14459	0.8
279.16003	0.9
280.76141	0.4
291.16028	0.7
293.17545	1.7
305.17557	0.9
306.97556	0.4
307.19055	3.4
311.25531	0.4
319.19092	2.4
333.20554	0.9
387.25211	0.7
443.31650	3.8
461.32660	100.0
462.32968	3.5
479.28098	0.5
479.33783	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	479.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.30336	0.6
55.05516	11.2
57.03428	1.3
57.07065	2.0
61.02912	1.9
67.05177	0.8
67.05510	13.3
69.03429	1.9
69.06719	1.1
69.07071	13.6
70.06596	1.4
70.21492	1.4
70.21886	1.4
71.04990	0.8
71.08632	0.7
71.66188	0.5
72.08161	4.4
75.60248	0.6
79.05502	7.0
81.03403	2.6
81.07067	27.7
83.01336	1.1
83.04978	1.3
83.08190	0.7
83.08630	5.5
85.02921	3.0
85.06535	2.4
89.10786	0.7
91.03940	2.1
91.05488	6.0
93.07034	6.4
95.01326	1.6
95.04967	1.7
95.08612	20.8
97.02881	2.8
97.06518	1.8
97.10158	2.0
98.09694	2.0
99.00813	6.3
99.04466	3.8
99.08050	0.8
105.07029	5.0
107.04962	1.1
107.08605	3.7
109.02898	1.2
109.06485	0.9
109.10175	6.8
111.04443	1.0
111.11697	0.8
113.02397	1.1
117.01862	0.9
117.07020	2.3
119.08589	3.2
121.06552	1.0
121.10146	2.7
123.04471	1.4
123.11737	2.9
125.05970	1.0
127.03888	1.8
128.06195	0.8
129.06984	2.1
131.08562	3.3
133.02946	0.6
133.06483	0.9
133.10124	2.2
135.04445	1.0
135.08099	1.4
135.11665	1.5
137.06012	2.9
137.13246	1.3
139.07536	1.4
141.06993	1.1
143.08563	1.9
145.06447	1.0
145.10118	2.5
147.11658	1.4
149.05989	1.2
149.09644	1.6
149.13297	0.8
151.07532	0.8
153.05472	4.6
155.07133	0.7
155.08546	1.8
157.10133	1.9
159.07928	0.7
159.11702	1.6
161.06038	1.2
161.09569	1.2
161.13278	0.7
163.03912	2.0
163.07527	2.5
163.11227	1.0
167.07051	0.6
169.74332	0.6
171.08034	1.4
171.11687	1.2
175.07538	2.4
175.11182	0.8
175.14879	0.7
177.05513	4.6
177.09079	1.5
179.06943	0.6
179.10541	0.8
181.04959	10.6
183.06555	4.3
187.07495	0.6
187.11166	0.7
189.09094	11.3
191.07063	1.7
191.10661	1.2
193.12241	1.0
195.06551	25.3
195.11705	0.7
203.10667	2.7
205.12274	1.1
207.06526	1.8
209.08096	12.3
209.09932	1.2
219.10039	1.0
221.08131	0.9
223.09666	17.7
223.14665	0.8
235.09688	2.5
237.11221	16.3
249.11263	9.5
251.12788	3.8
263.12857	3.4
265.14319	2.0
277.14301	1.4
279.15790	0.8
291.15912	1.8
293.17453	2.6
305.17447	1.1
307.18912	2.9
317.06503	0.7
319.19046	2.2
341.24643	0.6
351.23129	2.0
369.24112	2.3
387.25262	2.1
443.31985	3.7
461.32672	100.0
462.32996	3.5
479.33868	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
53.98640	0.3
54.84256	0.3
55.01871	0.7
55.05260	0.5
55.05515	6.9
57.03427	0.5
57.07080	1.9
65.03939	0.7
67.05512	9.2
69.03443	0.8
69.07075	9.1
69.73772	1.8
71.08627	0.4
72.08162	0.3
79.05502	3.0
81.03431	0.8
81.07065	20.7
83.01347	0.8
83.04983	0.6
83.08629	3.5
85.02889	0.6
85.06556	3.0
91.05470	1.6
91.39819	0.3
93.03401	0.3
93.07068	2.4
95.01347	1.0
95.04985	1.0
95.08615	13.5
97.02885	0.7
97.06539	0.6
97.09633	0.4
97.10159	2.1
98.20751	0.5
99.00822	5.3
99.04443	2.0
105.07049	2.2
107.04962	0.8
107.08619	1.7
109.02890	0.6
109.06517	0.7
109.10156	4.6
111.04503	0.5
111.11752	0.6
113.02378	1.4
117.01854	0.9
117.07081	0.6
119.08604	1.1
121.06549	0.7
121.10152	1.2
123.04425	0.6
123.08079	0.4
123.11697	2.4
125.05997	0.8
125.09612	0.4
127.03899	0.5
129.06975	0.3
131.08577	1.0
133.06505	0.9
133.10136	0.8
135.04424	1.2
135.08064	0.6
135.11731	0.6
135.30455	0.3
137.05986	1.1
137.13260	1.2
139.07518	0.7
141.05463	0.3
143.08560	0.3
145.06468	0.5
145.10127	1.2
147.08002	0.5
147.11697	0.5
149.05975	1.1
149.09621	0.7
149.13396	0.3
151.07539	0.7
151.14874	0.3
153.05464	2.8
155.07037	0.8
157.10165	0.5
159.11676	0.4
161.05988	0.8
161.09663	0.7
163.03957	1.4
163.07559	1.2
163.11211	0.4
165.09129	0.7
167.07037	0.7
169.04913	0.5
171.08067	1.0
175.07558	2.3
175.11259	0.6
177.05516	4.0
177.09140	1.3
181.04980	9.5
183.06573	2.5
189.07411	0.4
189.09113	8.8
191.07021	1.5
191.10638	0.8
193.12361	0.5
195.06544	20.6
199.06038	0.4
201.09073	0.3
203.10672	1.8
205.08705	1.1
207.06508	1.8
209.08104	10.4
217.12282	0.5
219.10139	0.3
221.08125	1.1
221.11964	0.4
223.09660	11.9
231.10297	0.3
235.09697	1.6
237.11234	13.1
249.11230	8.4
251.12825	4.9
263.12836	2.9
265.14310	1.6
277.14413	1.3
279.16043	1.1
291.15970	0.8
293.17511	1.6
305.17517	0.7
307.19034	4.0
317.06610	1.0
319.19025	2.0
321.20688	0.6
333.20721	0.9
347.22336	0.5
361.23749	0.5
387.25238	0.7
443.31717	3.9
461.32657	100.0
462.32986	3.4
479.19397	0.4
479.33893	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	479.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18126	2.9
53.03934	13.4
55.01865	15.0
55.05518	44.7
57.03444	45.2
57.07062	4.2
65.03934	4.3
67.05174	6.5
67.05511	98.6
69.03440	67.8
69.07068	34.5
71.01346	6.6
71.04991	11.6
71.55608	5.9
71.78163	3.6
73.02908	10.7
79.05062	5.3
79.05502	81.8
81.03423	55.0
81.07064	100.0
83.04985	19.0
83.08623	13.8
83.74880	3.2
85.02914	34.8
85.06567	7.7
87.04479	7.3
91.05496	74.9
93.07043	69.5
95.04993	17.9
95.08619	73.6
96.10763	3.1
97.02895	28.5
97.06535	6.8
97.10180	6.7
99.04482	19.5
99.08105	4.4
101.02363	3.8
101.34738	3.4
103.03951	10.7
103.05494	3.7
105.04499	3.8
105.06384	5.9
105.07040	78.1
107.04956	11.2
107.08596	49.2
109.02896	22.1
109.06529	14.6
109.10172	31.4
111.04441	11.5
111.08109	7.1
115.03935	8.0
115.05438	5.0
116.06243	3.5
116.17699	3.0
117.07037	37.3
119.08594	58.5
121.06601	6.5
121.10162	36.4
123.04350	3.8
123.08054	7.4
123.11680	10.5
125.09667	3.8
127.03929	37.1
128.06346	4.7
129.05464	12.2
129.07039	21.5
130.07755	4.7
131.08563	45.6
133.06496	13.2
133.10144	40.4
135.08073	10.1
135.11693	23.7
137.05919	5.4
137.09644	4.2
139.18921	3.2
141.06975	5.8
142.07806	4.7
143.08575	22.9
145.04968	11.6
145.06473	11.4
145.10117	35.7
147.08052	10.8
147.11710	25.3
149.09669	6.2
149.13258	9.9
151.07547	4.1
153.05446	5.1
155.08543	12.5
157.10097	19.9
159.08070	9.5
159.11699	31.5
161.09567	8.8
161.13272	13.6
163.11172	6.3
163.14865	7.7
167.08603	4.0
169.10150	12.6
171.08037	8.9
171.11723	14.7
173.09637	6.2
173.13264	19.5
175.07515	4.2
175.11153	8.6
175.14848	6.2
177.12775	3.7
179.08592	5.5
179.10629	3.5
181.10129	7.3
183.06512	10.4
183.11707	13.2
185.09683	4.6
185.13255	9.0
187.11237	4.8
187.14838	10.4
189.12740	6.0
189.16382	3.4
197.13367	4.3
199.14763	8.0
201.07593	5.5
201.12762	5.0
201.16386	5.2
209.13254	5.6
213.12692	4.6
213.16431	3.7
215.14313	4.1
225.12630	6.8
243.30928	3.5
259.20590	8.5
261.22012	16.5
273.22107	6.5
277.21625	5.0
280.21411	3.4
284.22803	3.2
285.22125	5.6
289.21561	4.1
297.22311	3.9
299.23737	5.4
300.64865	3.5
301.21548	7.4
303.23260	7.0
309.22095	3.7
315.23148	7.8
317.24652	6.9
327.23138	7.9
335.25659	4.5
341.24792	11.7
345.24295	7.2
351.23196	14.7
357.24277	4.2
369.24216	30.0
387.25162	20.5
401.27267	4.8
405.26187	5.4
419.27774	4.9
431.27850	7.1
443.28033	32.9
449.28864	5.4
461.29050	70.4
479.30045	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
55.01879	3.1
55.05512	9.0
56.17981	1.7
57.03433	2.4
57.07067	5.6
58.06166	1.8
61.02931	3.5
61.97427	2.0
67.05501	9.2
69.03434	9.5
69.07063	11.4
69.26651	18.6
70.06590	6.2
71.05006	4.6
72.08150	3.6
79.05472	8.5
79.05884	1.9
81.03423	8.7
81.07058	30.4
83.08616	6.9
84.08157	2.9
85.02912	31.8
85.06554	11.6
86.09699	3.1
87.00825	13.3
91.05489	5.1
93.07029	21.8
95.04935	2.1
95.08604	48.0
97.02910	10.6
97.10171	7.7
99.04461	4.4
99.08101	5.8
105.01875	14.8
105.07033	7.2
107.08603	31.2
109.02864	11.4
109.10161	20.0
111.08063	2.8
111.11706	3.0
119.08563	3.4
121.10147	45.1
123.11701	9.1
127.03954	17.7
131.08562	2.0
133.10144	3.0
135.11714	10.8
136.07599	2.7
137.13255	8.0
145.04971	6.7
147.04407	5.2
149.13264	5.9
159.02843	2.3
165.16405	3.8
170.08096	2.1
175.14803	2.1
177.16397	100.0
183.17421	6.0
186.94168	2.2
195.17455	43.9
206.99489	2.0
213.18488	19.9
231.05054	4.8
231.19576	33.0
258.48538	2.3
269.08087	2.7
287.09073	2.6
301.03513	4.4
302.04248	13.8
317.06540	34.1
317.10153	3.1
479.16455	2.4
489.77820	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88377	4.7
53.03947	4.6
55.01856	6.3
55.05513	10.9
61.02917	8.0
67.05505	19.4
69.03435	23.4
69.07056	17.5
70.06589	23.4
71.04964	8.7
71.40247	8.8
72.08155	14.9
73.02924	3.7
75.00403	3.4
79.05479	20.1
81.03396	20.5
81.07056	42.7
83.04970	3.7
83.08613	13.2
84.04501	7.3
84.08135	8.9
85.02903	42.7
85.06554	11.6
86.09702	16.1
87.00845	13.8
87.04488	4.4
91.05471	12.5
93.07057	21.5
95.04961	9.6
95.08603	54.1
97.02878	22.1
97.06535	5.8
97.10177	6.1
99.04446	8.4
99.08092	6.0
105.01891	18.3
105.07034	10.4
107.04908	22.3
107.08599	41.0
107.62795	3.5
108.08144	3.9
108.08926	4.2
109.02884	14.8
109.06519	3.8
109.10165	22.5
111.08070	6.2
119.04963	6.4
119.08551	5.7
121.06536	3.6
121.10144	41.5
123.11725	10.5
125.09679	4.5
127.03921	24.6
135.11732	12.9
136.07523	6.8
137.05992	6.1
137.08011	3.7
137.13252	8.1
139.11194	5.9
145.04985	8.2
147.04428	10.1
148.04733	6.7
149.05969	3.9
149.13226	7.4
152.07115	7.1
163.04015	5.2
173.09586	3.8
177.16402	100.0
183.17511	5.7
187.07501	4.6
195.17448	58.5
203.07063	4.5
213.18466	18.9
231.19533	28.7
262.86566	3.7
317.06616	24.1
329.10449	4.3
365.09741	4.7
425.25836	4.8
479.17224	11.8
479.24698	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	479.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.1
55.01870	2.2
55.05506	8.3
57.07071	5.1
67.05502	10.2
69.03429	6.8
69.07072	15.3
70.06315	1.4
70.06600	16.9
71.04984	5.8
72.08155	6.6
76.65990	1.8
79.05502	12.7
81.03400	5.8
81.07066	38.5
83.08618	10.2
85.02912	9.7
85.06537	7.8
86.09709	7.8
87.00797	2.4
91.05482	7.6
93.07052	23.8
95.04966	2.6
95.08051	3.2
95.08611	45.9
97.02878	10.5
97.06542	2.8
97.10152	4.9
98.20731	4.7
99.04451	3.0
99.08097	3.7
105.01907	2.3
105.07031	5.0
106.06533	1.9
107.08600	31.8
109.02861	3.7
109.10164	22.5
111.08056	2.3
119.08554	1.8
120.08075	2.5
121.10155	44.7
123.11697	7.6
125.09647	2.3
127.03926	7.4
135.11717	13.0
137.13234	8.4
139.11172	2.6
145.04984	4.9
147.04404	5.2
149.13235	3.5
151.14806	2.6
152.07103	2.4
165.16360	4.0
171.08366	2.0
177.16399	100.0
178.16711	2.2
183.14980	3.7
183.17471	5.8
190.08559	1.8
195.17461	52.3
213.18483	18.4
231.04958	1.7
231.19548	31.6
242.70972	1.8
302.04028	4.3
315.87964	1.6
317.06525	6.9
479.18332	3.9
479.24713	11.7
502.21451	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	479.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	77.2
57.03437	2.3
58.06601	11.9
61.01154	48.3
68.01399	1.6
68.05042	1.4
69.03429	1.5
69.82278	2.2
69.82692	4.3
70.02956	3.5
70.06594	7.9
72.08157	4.2
73.02925	2.5
74.06084	100.0
75.02726	1.4
81.03436	1.5
82.06544	2.1
84.04514	10.0
84.08112	1.3
85.02901	2.3
86.06089	1.8
86.09210	2.6
86.09714	33.7
88.03999	6.5
98.02474	1.7
100.03985	2.0
100.07643	2.2
101.07137	2.6
104.05335	81.0
108.04490	5.5
110.06040	6.3
111.05595	3.2
112.11252	1.7
117.57536	1.2
119.04933	1.2
125.07109	3.4
126.05531	23.5
126.12784	1.5
127.05017	1.8
127.08709	3.5
129.06621	2.5
130.05013	2.2
130.06882	3.3
132.10204	23.6
138.05518	2.5
141.13875	3.0
142.12393	1.5
144.06581	19.6
145.06082	2.7
147.04401	2.4
153.06599	5.2
154.05032	3.3
156.04803	5.5
158.11800	1.9
169.13370	5.8
171.07675	7.6
172.06110	1.6
173.07437	1.3
174.05876	20.5
175.09024	2.1
184.04404	1.4
186.55423	1.2
187.14418	10.2
189.08705	11.6
197.12833	7.9
199.07085	3.1
201.06973	27.1
201.08830	2.7
202.05296	2.1
215.13921	39.4
217.08191	17.4
219.07999	18.3
230.04674	1.5
233.14983	82.2
234.15450	1.6
243.13400	4.6
247.07486	48.1
284.16159	3.9
302.11676	2.2
304.09418	1.7
308.11630	1.5
312.15649	2.3
317.06613	5.5
320.12762	1.4
330.11191	8.0
330.16629	20.1
348.12256	26.7
348.17545	4.1
374.17456	2.4
393.42352	1.4
415.20029	4.5
443.19675	7.2
461.20642	13.6
479.16107	1.8
479.21878	2.1
496.58011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.6
51.02378	0.7
53.03942	2.9
53.05687	0.6
55.01863	1.0
55.17731	0.6
56.05020	0.8
57.03433	0.8
57.05805	1.9
58.06588	1.3
59.91726	0.6
69.03432	8.1
70.06591	8.0
71.04978	1.5
71.06902	0.9
71.55212	0.9
72.08160	4.0
73.02913	1.2
78.03452	17.3
79.05492	1.0
80.05006	2.4
81.03417	18.7
83.08074	0.5
84.04511	1.2
84.08141	1.2
85.02902	7.9
88.03973	3.1
91.05465	2.0
91.52676	0.6
93.03395	1.4
96.04485	5.3
97.02885	5.9
99.04453	2.6
106.02917	54.8
107.04952	8.2
109.02885	8.2
111.04433	5.5
116.07101	0.8
119.04954	1.2
120.08067	3.3
123.04425	1.3
124.03954	75.5
125.01453	0.6
125.04285	0.7
125.05991	1.0
127.03921	5.1
135.04422	18.2
137.05986	3.0
138.05499	1.7
139.03902	22.9
140.07027	0.7
148.07530	2.9
150.07782	2.0
151.06271	2.5
163.03893	6.0
166.08643	85.2
167.08981	1.0
167.10628	0.9
179.03340	1.1
181.04953	16.7
194.08266	1.1
196.06058	0.7
208.09666	0.7
212.09180	100.0
213.09517	1.6
232.06055	0.9
250.07115	8.7
254.10231	1.3
268.08154	18.6
307.13248	0.6
317.11172	1.0
328.14166	0.8
333.10791	1.3
399.15680	1.0
417.16583	0.8
420.12924	2.6
433.16092	20.9
448.12112	0.7
461.15656	1.5
479.16602	52.0
480.16830	1.9
482.56241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56894	0.1
55.01863	0.2
55.05502	0.3
57.03434	0.1
61.02930	0.1
67.05495	0.4
67.21010	0.1
68.99774	0.2
69.03410	0.5
69.07049	0.4
70.06591	0.6
70.61196	0.2
70.61555	0.4
71.04974	0.1
72.08151	0.5
79.05479	0.4
81.03423	1.2
81.07050	0.6
82.06600	0.1
83.08607	0.4
85.02927	0.7
86.09689	0.3
88.59811	0.1
91.05467	0.6
92.02627	0.2
93.07037	0.6
95.04955	0.6
95.08586	0.5
97.02904	0.7
97.06536	0.3
101.58340	0.1
105.07040	0.6
107.04961	0.2
107.08606	0.3
109.02891	0.2
109.10145	0.3
110.03668	0.9
111.04408	0.2
119.08559	0.4
121.10145	0.2
122.95412	0.1
123.04408	0.2
127.03907	0.4
131.08571	0.4
133.06458	0.1
133.10074	0.2
135.04445	0.1
135.08037	0.2
136.65034	0.2
137.02339	1.7
137.05992	0.2
145.10101	0.2
147.04413	0.4
147.11623	0.2
150.03148	0.1
151.03818	0.2
153.01817	1.2
155.08583	0.1
157.10110	0.2
163.03911	0.3
166.02669	0.2
166.08572	0.2
177.05478	0.2
187.14774	0.1
193.01317	0.5
193.12277	0.9
200.04697	0.6
203.03436	0.2
204.04214	0.6
215.03374	0.2
217.05070	0.2
218.05959	0.1
228.04178	2.9
229.04961	1.4
231.03004	0.2
237.10803	0.1
245.04474	1.3
246.05252	0.3
256.03650	0.7
257.04465	1.4
267.15918	0.8
273.03983	0.8
274.04709	5.1
285.03973	1.5
285.16946	0.3
301.03442	12.8
302.04214	51.0
303.04630	0.6
317.06555	100.0
318.06931	0.8
461.16550	0.1
479.11240	0.7
479.17755	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	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
59.45602	0.2
61.02927	0.2
65.69142	0.2
65.78279	0.1
67.05479	0.3
69.03407	0.3
69.23984	1.8
70.06576	0.4
70.55331	0.2
72.08129	0.4
75.84458	0.2
81.03378	0.6
81.07024	0.4
85.02873	0.6
86.09662	0.3
89.29558	0.2
91.05477	0.3
92.02601	0.2
93.07004	0.2
95.04924	0.3
95.08611	0.2
97.02877	0.4
98.20779	0.3
105.07045	0.2
107.04967	0.2
107.08579	0.2
108.43417	0.2
109.96159	0.2
110.03694	1.0
119.08553	0.2
120.08070	0.2
121.10104	0.2
127.03919	0.4
129.56206	0.2
137.02327	1.9
137.03311	0.3
137.09525	0.2
153.01805	1.5
163.03934	0.2
164.08789	0.2
165.01785	0.2
179.03368	0.2
183.07478	0.2
190.06342	0.2
193.01332	0.4
193.12343	0.4
200.04752	0.8
204.04204	0.6
217.04971	0.3
218.05707	0.3
228.04172	3.2
229.05009	1.4
231.42177	0.2
245.04451	1.5
246.05119	0.4
256.03650	0.8
257.04468	1.2
260.03720	0.2
267.16199	0.2
269.47665	0.2
273.03940	0.7
274.04724	5.7
285.03961	1.5
285.17188	0.3
301.03439	14.3
302.04205	53.1
303.04477	1.2
317.06552	100.0
318.06918	2.4
439.90558	0.2
479.11758	0.5
479.17883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1186
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
53.03932	0.2
55.05486	0.2
56.90498	0.2
57.03411	0.7
61.02903	0.8
61.03171	0.2
62.71466	0.2
67.05491	0.3
69.03437	2.5
69.07056	0.2
69.93928	1.0
71.01329	0.3
71.04980	0.4
72.08142	0.3
73.02894	0.6
79.05470	0.3
81.03424	0.9
81.07037	0.5
85.02424	0.3
85.02908	4.0
87.04440	0.5
91.03951	0.3
91.05482	0.3
92.76122	0.2
93.07024	0.2
97.02889	1.7
97.06539	0.3
98.21401	0.2
99.04445	0.4
103.03909	0.2
105.07006	0.3
107.08619	0.2
109.02866	0.7
110.03642	0.7
112.24404	0.2
119.08556	0.3
121.10121	0.2
127.03938	1.3
135.04376	0.2
137.02327	2.2
137.05989	0.3
145.04935	0.6
153.01842	1.4
153.05501	0.3
186.25021	0.2
188.25261	0.2
193.01331	0.4
200.04697	0.8
200.06416	0.2
204.04164	0.6
217.05014	0.4
228.04225	3.2
229.05002	1.8
245.04471	1.2
246.05215	0.3
256.03775	1.0
257.04419	1.5
269.04364	0.2
271.06003	0.3
273.03934	1.0
274.04715	5.4
285.03882	1.5
301.03439	13.9
302.04211	62.8
303.04678	1.1
313.03287	0.3
315.05008	0.5
316.05789	0.6
317.06558	100.0
318.06909	1.5
359.07672	0.9
479.11829	26.1
480.12198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.8
57.07081	0.9
58.76612	0.6
62.06092	0.9
67.05167	0.8
67.05508	7.1
67.18660	0.6
69.07070	5.3
70.87939	1.4
77.90292	0.7
79.05495	1.5
81.07063	5.7
83.08618	2.3
85.05288	1.5
86.06047	0.9
93.07033	1.2
94.80507	0.6
95.08612	3.2
96.55497	0.5
98.06058	10.9
98.98463	1.4
105.07034	0.8
107.08593	1.1
109.10163	1.3
112.07613	1.8
119.08575	0.8
140.10660	1.0
208.17021	0.8
306.27924	100.0
307.28235	1.7
320.51385	0.6
324.28915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.03947	1.0
55.01864	0.6
55.05516	12.6
57.03187	0.6
57.03441	6.6
57.07082	2.0
62.46446	0.3
65.03940	1.1
67.05511	26.3
69.03415	0.4
69.07074	16.6
69.66979	2.3
71.04982	0.6
71.08637	0.7
74.49899	0.3
79.05499	8.3
81.03447	0.3
81.07063	27.9
83.04971	1.2
83.08149	0.5
83.08626	8.6
85.05319	0.5
85.06569	0.5
91.05483	5.0
91.36519	0.3
93.07052	6.4
95.04999	0.7
95.08614	20.1
97.06529	1.3
97.10184	4.3
98.06075	2.9
98.98486	0.6
99.08106	0.5
105.07034	3.4
107.08609	4.0
107.41325	0.4
109.10165	6.7
109.34911	0.4
111.08094	1.2
111.11759	0.7
111.74321	0.4
119.08596	2.9
121.10149	3.6
123.08051	0.5
123.11731	2.6
124.01572	0.6
125.09608	0.7
133.10149	3.4
135.11707	1.7
137.13239	1.1
147.11688	1.6
149.13235	1.1
151.14850	0.3
161.13266	1.2
163.14880	0.6
175.14821	0.9
198.05241	0.5
202.14375	0.4
216.06354	0.7
245.22755	0.5
254.26143	0.4
263.23773	1.2
267.24054	0.3
306.27927	23.4
307.28098	0.4
337.27386	100.0
338.27887	2.3
479.30484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03426	5.1
58.99604	3.9
61.02925	2.5
66.40382	2.4
69.03428	7.7
70.06592	23.6
71.04995	3.4
71.54839	2.0
71.65176	2.1
72.08168	6.8
73.02933	2.5
76.02230	16.0
76.06023	2.2
76.31353	2.3
81.03420	7.3
84.04521	8.2
84.08147	9.2
85.02912	22.9
86.09719	2.7
89.53418	2.2
91.05485	14.6
95.04988	7.4
97.02893	7.0
99.04453	7.3
103.03944	9.2
105.07017	4.7
107.04971	20.7
109.02898	4.7
110.07153	2.1
115.05456	3.4
116.01717	5.0
116.07105	8.2
119.04945	23.7
121.02887	6.0
121.06550	5.3
123.04442	49.9
124.07575	2.7
127.03919	6.2
128.07098	3.4
130.05003	4.6
131.04932	9.3
133.06493	25.5
135.04422	7.0
136.07500	2.3
137.06010	6.0
138.05486	2.2
142.03255	3.6
144.01112	2.5
145.02861	3.6
145.06509	11.4
147.04420	86.7
147.08069	7.6
148.04971	2.6
149.06013	9.4
151.03955	2.5
154.08641	9.3
157.06505	17.8
159.04419	7.1
161.05991	100.0
162.02202	10.3
163.03931	3.9
165.05496	23.6
171.08052	7.0
173.04556	3.5
173.05959	22.7
175.07544	6.7
177.05472	36.3
177.06903	3.3
179.04886	14.3
180.06514	2.8
181.06529	4.6
185.05975	17.2
191.07027	13.4
195.06502	4.7
199.07614	15.1
201.05475	6.8
203.07056	17.0
213.09099	8.8
217.08647	5.7
219.06493	4.0
221.08095	11.1
222.26736	2.0
225.45352	2.0
227.06999	18.7
230.13838	2.4
233.05911	5.2
245.05859	2.4
245.08163	24.9
263.09183	31.3
281.10199	39.0
299.11240	5.3
308.09006	14.4
395.76462	2.1
397.59305	2.0
412.06348	1.9
473.82846	2.1
478.17413	9.5
478.67380	2.4
498.27429	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	478.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.9
57.03461	1.9
61.02928	4.0
64.62896	1.7
69.03429	3.5
70.06577	5.2
70.48576	2.5
70.48907	4.3
73.02903	2.1
77.94666	1.9
81.03406	3.9
85.02924	11.5
91.05466	5.3
95.04954	7.1
97.02891	6.0
99.04445	5.3
100.02209	5.2
105.07021	4.0
107.04301	2.2
107.04961	26.1
109.65414	1.8
114.25632	1.8
119.04951	18.5
121.02856	4.9
121.06530	5.1
123.04444	55.6
131.04990	8.5
133.06509	29.9
138.05472	2.3
138.56334	2.2
139.03894	2.8
145.06506	9.0
147.03249	2.5
147.04420	49.9
147.08023	7.0
148.04767	2.6
149.05972	8.6
152.07097	3.1
153.06973	1.6
157.06453	13.0
159.02036	1.6
159.04442	14.4
160.05247	2.8
161.05994	24.9
165.05490	24.5
171.05554	1.8
171.07990	4.6
173.06003	19.4
175.07574	9.1
177.04079	2.3
177.05502	38.0
180.06560	8.6
181.06371	4.4
185.05977	9.3
187.07669	2.0
189.05446	4.3
191.07028	3.1
199.07573	18.7
201.05438	3.7
203.04926	3.5
203.07033	12.4
207.06628	3.5
213.09041	3.1
214.63773	1.8
217.08597	6.2
219.06503	1.8
221.08118	31.5
225.58971	1.6
227.06972	7.0
233.08138	2.1
245.08130	18.4
260.49854	1.8
263.09167	12.3
281.10217	100.0
308.96802	1.7
491.18146	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.6
51.02386	1.3
53.03953	5.6
55.01871	0.7
55.05515	0.7
57.03418	0.4
57.05803	0.7
58.06593	0.9
65.03956	0.7
67.05512	0.5
69.03434	5.4
69.64017	2.9
70.06586	2.6
71.04994	0.9
72.08134	0.5
73.02911	0.8
77.03923	0.8
79.05506	3.5
81.03419	12.8
81.07042	0.7
82.06595	0.5
85.02909	5.4
88.04004	2.5
89.06035	2.3
90.06347	0.5
91.05491	1.5
91.42547	0.4
93.03396	1.1
93.07063	0.8
95.04976	5.9
96.08151	0.6
97.02890	7.3
99.04447	1.6
99.08099	0.6
103.05515	0.6
105.03397	85.8
105.04547	2.1
106.03726	0.6
106.06592	2.4
107.04958	3.2
108.08108	1.2
109.02891	6.7
111.04446	5.1
115.88183	0.4
119.04942	3.0
120.08107	1.5
123.04436	4.9
124.07582	2.7
127.03935	4.6
133.08580	1.2
134.05994	1.8
134.08955	0.6
135.04425	11.4
137.05937	1.5
139.03909	19.2
145.04933	1.8
147.04414	9.8
148.07533	0.8
151.06270	1.2
152.07076	4.9
163.03929	3.7
166.08644	53.7
167.08925	0.5
170.08133	4.2
177.05469	0.7
181.04964	13.4
194.08272	0.7
212.09183	100.0
213.09514	1.0
232.09959	0.5
249.05371	0.5
249.07637	9.0
252.10086	0.8
267.08627	1.7
302.09958	0.5
317.06564	0.7
328.13828	0.7
331.80945	0.6
349.41385	0.5
432.16339	0.8
442.14896	0.8
454.31598	0.5
460.16095	2.8
478.17099	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	478.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05510	1.0
60.34872	0.7
65.03949	4.0
67.05501	0.8
69.03428	2.0
70.06600	7.3
70.46253	2.7
72.08104	0.7
79.05491	5.3
80.05001	1.2
81.03416	4.0
81.05795	1.5
81.07023	0.9
82.06606	1.4
83.04988	1.3
85.02929	1.6
91.05480	9.6
92.05013	4.2
95.04983	1.5
96.08134	5.2
99.04456	0.7
105.03397	3.1
106.06561	37.1
107.04952	1.6
108.08117	11.1
109.02888	2.8
109.05254	1.6
119.04951	20.8
119.48424	0.7
121.02884	1.0
123.06812	4.9
124.07596	23.6
127.03896	1.9
127.98067	0.7
128.07079	1.9
134.06027	25.5
135.08032	0.8
136.07610	3.8
147.04419	100.0
148.04779	1.1
152.07080	65.3
164.07076	2.9
165.05498	2.1
167.07077	0.8
170.08139	44.9
171.08380	0.8
195.10210	2.6
213.09166	1.2
224.10667	0.9
252.10222	3.0
280.09753	2.3
291.08508	3.6
298.10916	1.4
309.09702	2.3
314.12372	2.6
332.13385	6.6
442.14667	1.0
460.16043	18.8
460.22519	1.2
461.16751	1.1
478.10229	1.5
478.17117	30.3
479.17203	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
53.61528	0.8
55.01878	1.1
65.03937	3.8
67.05510	1.3
69.03425	2.6
69.07095	0.8
70.06598	13.1
70.84141	2.2
78.63092	0.9
79.05497	7.9
81.03413	3.6
81.05800	1.8
81.07066	1.3
82.06563	1.3
83.04976	1.0
84.08177	0.9
85.02914	3.5
88.55463	0.8
91.05497	10.9
92.05022	5.9
95.04963	2.2
96.08142	6.2
97.02903	3.2
103.22139	0.8
105.03388	2.0
105.07016	0.9
106.06564	40.3
107.04949	5.8
108.08124	19.5
109.05255	1.5
116.07156	1.0
119.04951	27.7
121.02823	1.0
122.05994	1.5
123.06812	5.0
124.07590	26.1
127.03939	2.2
128.07095	3.6
131.89653	0.8
134.06029	28.0
135.06380	0.9
135.08076	2.2
136.07585	5.3
140.07092	1.6
141.95216	0.8
145.04944	1.0
147.04420	100.0
148.04796	1.2
148.07544	0.8
152.07076	76.6
163.07574	3.5
164.07089	2.1
166.08687	1.6
167.07068	3.0
170.08133	55.4
195.10185	21.3
209.08380	1.3
209.27982	1.0
212.09229	2.9
224.10703	1.7
226.82452	1.0
234.09274	1.1
252.10240	10.7
254.17601	1.3
275.80112	0.9
280.09756	5.5
291.08582	2.1
298.10837	4.2
309.09641	1.6
314.12439	4.5
332.13434	9.3
340.11935	0.9
442.14661	1.3
460.16098	25.4
478.17105	50.2
479.17896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05302	4.6
55.05513	52.7
57.07076	44.3
59.04988	17.4
61.74648	4.4
64.65647	5.0
65.03925	7.4
67.05502	45.4
69.06732	5.3
69.07068	80.6
70.09058	4.9
71.08629	37.5
71.27600	7.5
79.05483	20.3
80.68835	4.2
81.07055	100.0
83.04974	10.2
83.08626	52.8
85.10182	22.4
87.04440	7.4
89.06015	36.5
91.05460	15.1
93.07049	37.8
95.04936	8.0
95.08056	7.1
95.08614	93.5
97.06554	5.2
97.10177	35.3
99.04454	9.3
104.54797	4.3
105.07016	34.1
107.08605	26.3
109.06500	18.1
109.10160	46.4
109.10858	6.9
111.04382	8.0
111.11701	14.7
119.08606	23.3
121.10125	27.0
123.08073	9.7
123.11696	34.0
125.06013	31.1
127.03902	8.8
129.07019	6.0
131.08582	15.0
133.06482	14.4
133.08614	16.6
133.10133	11.8
135.08034	6.2
135.11674	14.5
137.05968	68.7
137.13243	10.2
142.07782	9.3
143.08565	13.4
145.10109	9.4
147.08109	5.9
147.11678	11.1
149.05984	6.3
149.09641	7.8
149.13220	14.8
151.07536	40.0
153.05467	6.1
157.10109	14.0
159.11693	47.5
161.09613	7.3
161.13211	6.7
163.14775	7.0
165.09070	7.3
167.07057	10.6
169.10112	7.1
171.08025	17.0
171.11656	10.1
172.08844	8.5
173.09703	25.3
173.13283	6.3
174.26784	5.3
175.11188	18.2
177.09065	7.2
177.11183	5.3
177.16483	5.3
183.11671	6.5
185.09624	42.1
185.13271	5.4
187.11205	38.3
188.01503	5.0
189.09126	11.2
191.10669	8.1
193.08595	19.5
199.11224	9.7
203.10677	27.7
205.12212	13.5
205.19493	5.4
213.08856	7.3
215.10597	5.3
217.12199	6.3
218.26878	5.5
219.10066	6.5
227.10713	5.8
227.14366	9.2
249.25838	5.7
275.27319	23.4
289.10214	4.8
297.18457	5.5
315.30429	5.2
333.31525	9.5
381.31567	28.7
395.32907	14.0
399.32526	19.7
413.34012	7.0
423.32568	6.3
441.33612	25.7
459.34695	23.4
467.11151	4.9
477.34561	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	477.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05301	5.0
55.05519	47.7
57.06848	3.9
57.07080	37.5
59.04992	11.4
62.41352	4.1
67.05505	35.4
67.15862	3.5
69.07072	68.3
69.30883	28.4
71.08632	34.0
79.05489	21.3
81.07062	100.0
83.04956	10.0
83.08627	40.0
85.10175	16.0
89.06032	13.8
91.05463	13.8
93.07046	34.2
95.08611	76.0
97.10174	26.5
98.21452	8.1
99.04446	10.6
100.48541	4.2
103.05506	4.4
105.07032	29.4
107.08599	30.2
109.06541	15.5
109.10165	50.0
111.04456	9.7
111.11718	12.7
117.07026	7.5
119.08604	15.3
121.06498	3.7
121.10152	27.6
123.08099	7.3
123.11687	28.6
125.05994	30.0
127.03910	14.2
129.07011	5.7
131.08583	10.1
133.06496	9.6
133.08583	6.4
133.10150	9.4
135.07991	6.4
135.11705	13.2
137.05983	66.4
137.09674	5.4
137.13271	13.5
142.07765	9.1
143.08554	5.0
144.09407	4.1
145.10106	19.3
147.11642	10.0
149.09572	7.6
149.13263	17.1
151.07561	40.5
153.05486	7.9
155.08530	6.7
157.10139	13.3
158.07230	4.0
159.11725	31.1
161.09615	4.2
163.07671	5.0
163.11212	6.0
163.14861	10.2
165.09073	5.1
165.12752	3.9
165.16457	4.5
167.07027	8.1
169.10158	8.5
171.08073	17.8
171.11746	12.5
173.09631	33.0
175.11171	16.6
177.09120	13.3
183.11743	6.9
185.09619	44.4
185.13315	6.9
187.11183	42.2
189.09117	5.6
189.16423	4.7
191.10692	6.0
193.08644	17.5
195.06720	4.7
199.11237	7.1
201.12781	8.4
203.10680	15.0
205.12233	9.1
213.12747	6.0
217.12337	7.4
217.29224	3.9
219.10158	5.2
227.10655	6.1
249.25800	4.4
257.18964	5.0
267.27057	4.3
275.27426	17.8
284.32162	5.2
322.51007	4.2
364.71494	4.4
371.47385	4.9
381.31628	19.5
395.33060	16.2
399.32529	17.7
413.34210	8.1
423.32556	9.1
441.33487	24.8
459.34460	14.6
477.33353	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	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52934	1.6
53.03931	5.2
55.01876	13.7
55.05513	63.2
57.03427	11.0
57.07054	1.9
59.04987	2.1
65.03952	3.2
67.05506	62.9
69.03431	13.7
69.07063	17.5
70.00118	4.3
70.06580	3.9
71.04972	6.0
72.08159	3.0
73.02891	1.7
79.05495	65.4
81.03428	20.1
81.06580	3.2
81.07058	63.0
83.04987	12.5
83.08617	35.1
85.02888	4.8
85.06528	6.3
91.05479	45.5
93.06483	2.3
93.07043	34.4
95.04964	23.5
95.08603	31.5
97.02872	6.1
97.06538	13.4
97.10172	49.9
99.04470	3.6
99.92249	2.0
101.05948	2.6
103.05451	3.8
105.07037	36.8
107.04951	38.7
107.08601	41.1
109.02882	2.7
109.06509	11.9
109.10163	18.1
111.04425	4.2
111.08087	6.8
113.05991	4.9
115.05443	4.7
117.07018	17.9
119.04955	4.4
119.08572	23.3
120.05809	2.0
121.06497	26.4
121.10136	15.2
121.32249	1.8
123.04415	4.9
123.08080	12.0
123.11674	6.0
125.05988	5.9
125.09624	35.7
127.03902	4.5
128.06233	4.0
129.07001	17.2
131.04922	7.4
131.08566	20.1
133.06467	14.3
133.10132	14.1
135.04402	1.8
135.08037	15.2
135.11693	10.5
136.06169	3.9
137.05994	4.2
137.09607	6.0
139.07553	1.9
139.11165	1.9
141.06950	6.3
143.08559	10.1
143.10654	3.2
145.06482	19.0
145.10095	11.8
147.04370	4.6
147.08054	6.4
147.11731	11.9
149.06000	2.5
149.09618	9.1
149.13226	4.0
151.07524	5.1
153.05490	3.8
153.06976	2.1
153.09131	9.2
153.12712	5.5
155.08557	7.9
156.60707	1.8
157.06516	5.6
157.10146	10.0
158.07219	1.8
159.08049	6.5
159.11670	8.2
161.05956	5.1
161.09621	4.4
161.13235	3.0
163.07565	2.3
163.11156	7.4
165.09128	29.2
165.12769	4.2
167.08505	2.3
169.10100	4.9
171.08000	6.1
171.10249	4.3
171.11682	7.8
173.09608	7.8
173.13254	2.3
175.07487	2.8
175.11180	11.1
175.14920	2.7
177.12718	3.1
181.10153	4.0
183.11694	3.4
185.09564	4.6
185.13283	3.0
187.11172	4.1
187.14801	2.7
189.09171	3.7
189.11191	21.6
189.12785	5.0
193.10515	2.9
193.12201	15.3
195.08069	2.2
195.11746	2.8
197.09541	2.8
197.13283	3.6
199.11189	9.1
199.14722	2.5
200.66962	1.9
201.12839	2.9
203.10690	3.2
203.14340	3.3
205.12231	4.3
205.15939	1.7
211.13208	5.1
213.12668	4.2
215.14297	6.3
217.12216	6.5
219.13745	2.6
223.13252	4.1
225.12885	3.1
227.12729	5.0
227.14560	2.9
229.18002	2.4
231.13821	3.3
233.15355	15.9
234.13515	2.4
235.13345	3.5
237.12711	5.2
241.12134	1.9
241.14354	7.0
245.15407	4.1
249.14784	4.1
255.13783	4.9
257.15286	2.2
259.13223	3.6
269.15265	2.1
271.16998	2.6
273.14914	22.1
287.16592	3.7
291.16016	4.8
291.19357	2.0
315.08633	4.1
331.20715	2.7
339.23108	8.8
349.21591	19.0
357.24197	13.3
367.22693	55.8
385.23734	100.0
386.23636	2.6
403.24832	23.3
404.25070	2.7
441.25830	9.3
459.27380	61.4
477.15079	2.4
477.28198	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Lucidenic acid H
Peak:m/z	Relative Intensity
53.00291	2.3
53.03941	7.9
55.01879	11.0
55.05514	27.6
57.03438	14.6
57.07073	4.3
65.03928	3.7
67.05170	3.7
67.05508	53.7
69.03432	15.9
69.07072	26.6
69.80267	12.3
69.94189	2.0
70.06575	3.6
71.01340	2.2
71.04993	4.1
72.08147	5.4
73.02910	4.5
77.03959	2.1
79.05069	2.9
79.05499	48.9
81.02989	3.1
81.03428	45.0
81.07059	73.1
83.04986	12.2
83.08636	19.6
84.61005	2.0
85.02899	6.1
85.06540	5.3
88.44582	2.1
91.05488	53.9
93.07053	41.5
95.04963	20.6
95.08614	37.1
97.02886	9.8
97.06548	10.8
97.07067	2.0
97.10162	8.3
98.21400	3.1
99.04442	5.3
99.08078	4.3
103.03954	4.7
103.05450	3.5
105.07035	53.3
107.04951	12.3
107.08606	23.4
108.23020	2.8
109.02887	3.8
109.06518	11.0
109.10130	14.7
111.04475	4.7
111.08088	7.3
113.05969	2.4
115.05452	5.3
117.07018	30.1
119.04961	3.0
119.08582	36.1
121.06482	11.8
121.10148	14.1
123.04420	5.1
123.08079	7.2
123.11732	11.7
125.06037	2.3
125.09620	4.9
125.23052	2.2
127.03903	3.0
128.06256	10.5
129.05498	4.2
129.07008	35.5
130.07828	3.5
131.04951	5.1
131.07707	3.0
131.08600	34.5
133.06454	7.7
133.10146	19.4
135.08060	5.3
135.11679	10.5
137.05977	4.2
137.09604	2.5
137.13245	2.6
141.07001	17.9
142.07800	7.8
143.08582	35.7
144.09349	2.6
145.06520	15.4
145.10123	26.1
147.08035	10.0
147.11690	28.3
149.05981	2.9
149.09621	5.6
149.13295	2.9
151.11209	3.2
153.05467	5.6
153.06981	5.1
154.07773	4.6
155.08556	21.6
155.71735	2.6
156.09340	5.7
157.06500	7.0
157.10139	25.4
159.08041	14.8
159.11685	17.7
161.09593	5.3
161.13240	5.7
163.11212	5.4
165.07014	8.5
165.09099	4.7
165.12793	11.5
166.07782	3.4
167.07210	3.0
167.08577	10.7
168.09378	4.1
169.06537	4.1
169.10165	23.1
171.08086	11.3
171.11716	17.2
173.09604	8.9
173.13225	12.1
175.07576	3.1
175.11194	6.3
175.14944	3.2
177.05560	2.8
177.09158	2.2
177.12776	2.8
177.36328	2.5
179.08559	6.5
181.10156	13.5
182.10970	2.1
182.41351	2.1
183.08070	5.1
183.11682	20.6
185.09612	10.9
185.13213	11.6
187.07520	2.4
187.11186	8.9
187.14775	4.8
189.09097	3.6
189.11136	2.7
189.12712	2.5
192.09290	2.6
193.10068	7.5
193.12221	13.0
195.06491	4.7
195.08084	4.3
195.11728	14.8
196.08841	3.7
197.09613	8.4
197.13330	12.2
199.11209	8.0
199.14816	6.0
201.09065	2.6
201.12766	5.4
205.10178	2.9
207.11696	3.8
207.13736	2.4
209.09726	4.2
209.13290	6.2
211.11172	9.6
211.14815	6.3
213.12732	4.0
213.16313	2.3
215.14319	3.0
217.12210	2.4
221.13254	3.3
223.11302	4.8
225.12723	7.4
227.12668	5.6
233.15358	3.5
237.12825	4.8
239.14346	6.3
241.12230	3.1
249.14793	3.0
251.14388	2.8
257.19019	3.0
266.21283	3.4
267.15982	10.3
267.21106	2.7
269.15512	3.2
273.15033	4.1
295.20361	3.5
297.22385	4.2
307.20078	2.8
313.21603	4.0
321.22147	8.0
325.21527	7.1
337.21664	6.2
339.23148	9.4
343.22757	6.2
349.21509	16.8
357.24185	7.4
367.22690	31.4
373.23642	4.6
375.25629	2.9
385.23785	29.0
387.25186	8.1
399.25101	6.0
403.24860	5.4
413.26697	3.0
417.26297	11.7
423.25406	7.8
429.26395	12.4
441.26288	51.2
442.26147	2.3
459.26816	55.0
477.28409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2846
Annotation	Lucidenic acid C
Peak:m/z	Relative Intensity
55.01882	14.2
55.05517	27.9
57.03433	12.2
57.07071	2.8
58.27584	2.3
61.02906	2.9
61.03798	2.4
65.03954	3.8
67.05508	53.8
69.03436	12.4
69.07076	19.0
70.06600	4.0
71.01354	3.0
71.05001	7.1
71.55637	3.8
72.08154	3.9
73.02911	3.0
76.17605	2.5
77.12805	2.4
78.28822	2.4
79.05495	46.0
81.03416	27.5
81.07063	49.8
83.04985	7.7
83.08611	10.3
85.02902	8.8
85.06532	4.0
91.05485	46.6
93.07046	41.1
93.13758	2.8
95.04966	18.0
95.08604	36.5
97.02913	13.9
97.06532	6.3
97.10155	11.5
98.09692	4.0
99.04463	6.3
101.80515	2.8
103.04009	3.2
105.07034	41.5
107.04953	11.6
107.08587	23.0
109.02840	4.9
109.06512	7.4
109.10188	12.9
111.04388	5.0
111.08122	4.4
113.06064	3.2
115.03915	3.9
115.05462	8.1
117.07016	29.8
119.04978	2.8
119.08596	30.7
121.06510	9.2
121.10156	16.0
123.04443	5.3
123.08056	6.1
123.11735	3.6
125.09656	6.4
127.03922	3.0
128.06223	12.8
129.07002	32.7
130.07784	5.5
131.04922	4.6
131.08566	32.2
133.06494	8.8
133.10159	19.0
135.08110	6.6
135.11728	12.3
137.09581	3.4
140.69792	3.1
141.06956	20.7
142.07805	6.3
143.08578	32.2
145.06500	15.4
145.10141	28.5
147.04417	8.9
147.08038	8.3
147.11667	11.5
151.07556	3.4
153.05487	3.9
153.06978	4.8
154.07799	6.2
155.08553	27.3
156.09291	4.5
157.06506	10.6
157.10150	26.5
158.07335	3.4
159.08069	10.9
159.11705	18.3
161.09633	6.0
161.13292	5.1
163.11209	10.6
165.07008	9.3
166.07851	6.2
167.08565	12.7
168.09322	4.5
169.06517	4.5
169.10135	30.8
171.08070	14.0
171.11636	18.0
173.09662	10.2
173.13252	7.7
175.11186	3.6
179.08572	11.1
181.06520	3.3
181.10158	16.0
182.10909	3.9
183.08063	11.5
183.11655	18.3
185.09677	13.2
185.13252	10.9
187.11205	5.1
189.11148	4.8
189.12762	3.7
193.10158	6.3
193.12161	3.2
195.08005	6.6
195.11700	15.7
196.08804	4.9
197.09616	8.4
197.13289	12.2
199.11285	6.6
199.14795	3.4
201.12711	3.7
207.11705	5.6
209.09712	4.8
209.11572	4.4
209.13354	6.9
211.11244	7.6
211.14957	5.3
211.16779	2.5
213.12848	7.8
215.10667	2.5
215.14406	4.3
221.09735	3.4
221.13356	3.0
223.11180	6.3
225.12674	7.3
225.16621	2.8
227.12781	9.1
229.12105	4.8
233.15569	2.8
236.63994	2.8
237.12856	4.8
239.14339	4.5
251.14430	3.3
255.13646	3.5
269.80615	2.6
295.20587	3.7
297.22348	3.5
319.19986	2.5
321.22086	7.6
325.18250	3.2
325.21814	10.3
327.23053	3.2
339.23193	13.6
349.21466	23.3
357.24435	6.3
361.23599	3.0
367.22711	38.1
372.44229	2.7
373.23828	4.0
385.23727	26.3
387.25024	6.1
403.24811	7.0
417.26428	16.5
423.25262	4.8
429.26321	16.3
441.26364	57.3
442.26376	3.0
459.27411	61.2
460.28598	3.1
477.15799	4.0
477.28445	100.0
478.28818	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
54.60599	1.5
55.01868	4.1
55.05504	6.4
57.03431	3.8
67.05505	12.7
69.03438	10.3
69.07075	9.7
70.04066	4.6
70.06588	3.0
70.60786	4.2
70.61126	2.1
72.08141	5.7
73.02913	3.0
79.05489	6.9
81.03422	7.3
81.06730	1.5
81.07072	16.4
83.04984	3.7
83.08611	6.9
84.08146	2.8
85.02905	18.2
85.06551	5.9
87.00841	5.0
91.05463	6.0
93.07055	9.9
95.04964	2.0
95.08611	51.3
95.09241	2.4
97.02906	10.0
97.06544	2.7
97.10110	2.5
99.04473	4.2
101.06007	2.3
105.01868	6.4
105.07029	6.8
107.04944	2.0
107.08616	10.3
109.02878	7.2
109.06513	2.0
109.10154	23.7
110.53823	1.7
111.08082	2.7
115.07587	3.5
117.07089	2.6
119.08599	9.0
120.08075	2.0
121.10130	6.7
123.11693	8.2
125.09637	8.3
127.03913	12.6
133.10101	7.5
135.11697	7.2
137.09625	8.9
139.11163	3.4
145.04930	6.3
145.10117	3.2
147.04382	2.6
147.11714	3.9
149.13232	4.8
153.01796	1.9
159.02919	3.6
161.06001	2.0
161.09604	1.7
163.14793	9.2
164.60826	1.9
165.09123	6.0
167.07085	5.1
173.13269	2.1
175.14832	12.0
177.16476	1.9
181.15891	10.6
193.15869	20.4
211.16933	100.0
212.17354	2.7
229.17993	6.6
231.04897	4.5
275.15982	2.0
315.08502	2.7
324.87790	1.9
356.88870	2.0
384.76709	2.3
407.18604	2.6
459.22253	5.0
477.14307	2.2
477.28458	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	477.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.01855	3.7
55.05511	16.9
57.07080	3.5
59.04999	2.9
67.05508	12.3
68.99793	1.8
69.03433	19.8
69.07079	9.4
69.24911	4.7
69.25329	11.4
70.84910	1.7
71.04984	5.7
72.08155	1.9
73.02917	1.8
79.05489	4.5
81.03418	9.3
81.07063	16.5
83.04989	22.7
83.08618	18.9
85.02906	14.0
85.06558	10.8
87.00826	5.4
87.04457	1.7
91.05505	5.6
93.07046	7.3
95.04944	2.6
95.08624	10.0
97.02904	6.4
97.06568	2.6
97.10191	3.9
99.04468	2.8
99.08083	6.8
101.06031	1.8
105.01835	2.1
105.07047	5.4
107.08604	12.8
109.02888	4.9
109.10162	36.5
111.04439	2.0
111.08086	1.9
113.06046	1.8
119.08613	4.6
121.06512	1.6
121.10139	8.9
123.11711	18.9
125.09670	8.3
127.03960	8.2
127.11215	14.8
128.22687	1.6
131.06570	1.4
133.10139	6.6
135.11739	10.3
137.05920	2.9
137.50461	1.5
141.12726	1.8
143.08614	1.6
145.05060	1.9
147.04507	2.1
149.13271	7.5
151.11203	6.8
153.12663	1.9
159.02940	3.4
165.09135	3.4
165.16370	2.1
167.07108	2.2
167.14352	15.1
169.12239	32.2
175.07626	2.6
175.14854	4.2
185.15393	14.3
189.46561	1.7
193.15894	9.4
211.16936	74.5
229.18007	100.0
286.11780	1.7
378.87885	1.8
385.23706	2.6
477.15201	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	477.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53688	1.9
53.03932	2.5
54.22346	1.9
55.01900	2.8
55.05509	6.8
57.03441	2.6
57.07084	3.3
66.87343	2.3
67.05509	15.0
69.03431	14.6
69.07069	10.4
70.04093	3.5
71.05012	4.8
72.08150	3.8
73.02912	2.3
79.05500	6.3
81.03430	9.4
81.07065	18.2
83.04960	2.4
83.08617	3.1
85.02922	20.4
85.06549	4.3
87.00844	6.7
91.05524	5.1
93.07053	8.4
95.04971	2.4
95.08614	48.5
97.02898	9.9
97.06522	2.7
97.10178	3.5
98.20719	4.4
99.04474	4.5
105.01866	6.3
105.07047	8.4
107.08606	10.1
109.02877	8.5
109.10165	22.3
111.08054	2.7
115.07572	5.0
119.08595	9.9
121.06554	2.9
121.10127	8.1
121.76597	2.2
123.08052	2.7
123.11727	5.2
125.09630	7.7
127.03920	14.5
133.10149	5.9
135.11684	8.7
137.09625	8.1
137.13249	3.7
139.11226	3.3
145.04985	6.1
147.11731	3.4
149.10805	2.3
149.13217	3.7
159.02898	3.1
163.14830	9.8
165.09052	4.9
167.07088	5.5
175.14859	9.9
181.15939	9.8
193.15871	18.8
211.16951	100.0
229.18056	6.7
231.05049	3.5
242.96086	2.4
278.00314	2.2
459.21945	3.5
477.15701	4.0
477.28726	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	476.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67998	5.4
57.07057	18.4
60.61438	4.6
63.54951	4.4
69.07048	6.7
70.90359	9.9
71.08633	8.0
81.07051	5.2
83.08605	6.1
85.10181	9.5
123.08045	7.0
137.05940	8.3
151.07507	26.1
165.05516	9.4
165.09158	4.7
167.07039	67.4
189.08978	5.7
207.10176	9.1
258.76498	5.2
323.09698	4.4
431.35205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
54.21395	0.4
55.05267	0.6
55.05517	7.4
57.03192	0.5
57.03444	6.5
57.07079	0.9
60.66538	0.4
62.06065	0.4
65.03938	1.2
65.63190	0.5
67.05509	30.1
69.07070	6.9
69.76144	2.1
71.04980	1.2
71.08629	0.6
77.03902	0.4
77.14886	0.4
79.05496	15.0
81.03406	0.4
81.07061	26.2
83.04992	1.1
83.08639	2.9
85.06559	0.7
91.05482	7.3
93.07047	15.9
94.04178	0.4
95.04971	1.7
95.08614	19.7
97.06544	0.9
97.10171	1.0
98.06064	2.1
98.21464	1.0
98.98470	1.1
105.07037	5.4
105.71764	0.5
107.08600	7.2
109.06506	0.5
109.10155	7.7
117.07016	1.3
119.08586	3.7
121.06504	0.5
121.10147	6.8
123.08037	0.7
123.11720	1.9
131.08571	1.8
133.10156	2.5
135.11700	3.3
137.13258	0.6
145.10144	1.0
147.11647	1.5
149.13258	1.7
159.11700	0.8
161.13272	0.8
163.14821	0.7
173.13277	0.6
216.06245	0.8
261.22311	0.9
304.26379	12.2
335.25806	100.0
336.26202	2.0
477.15411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81116	0.5
53.03939	0.6
55.01870	1.2
55.05313	0.5
55.05517	5.2
62.06074	1.5
67.05177	1.0
67.05511	14.4
69.07072	4.2
70.42793	1.5
79.05493	5.2
81.03413	1.0
81.07064	11.3
83.08607	1.1
85.05287	2.2
85.06557	0.6
85.82170	0.5
86.06070	0.8
88.56424	0.5
91.05475	2.4
93.07050	5.8
95.04954	0.7
95.08614	7.3
98.06062	13.5
98.98466	2.6
105.07034	1.4
107.08599	2.9
109.10193	2.4
112.07602	1.4
119.08572	1.7
121.10137	1.6
123.11736	1.0
125.09778	0.5
133.10159	1.3
135.11705	1.1
138.09099	0.8
140.10735	1.0
145.10078	0.6
147.11653	0.8
150.20274	0.5
159.11728	0.7
176.37798	0.6
196.16957	0.6
207.95520	0.5
208.17009	1.1
234.18495	0.7
236.20055	0.9
304.26358	100.0
305.26700	1.9
335.25729	1.2
358.16214	0.8
373.19992	0.6
476.28680	0.7
477.16095	0.6
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
55.05512	2.3
57.07057	1.5
67.05502	5.1
69.07068	6.3
70.59007	3.4
72.83889	1.0
79.05496	1.8
81.07062	6.3
83.08637	1.8
85.02907	3.0
91.05479	4.1
93.07040	4.3
95.04971	1.2
95.08042	2.0
95.08614	18.9
99.04423	1.4
105.07050	10.3
106.87157	1.2
107.08596	6.7
109.06551	2.3
109.10163	24.9
110.10473	1.5
117.07050	1.6
119.08585	38.8
120.08945	1.1
121.10155	2.4
123.08064	2.6
123.11693	2.7
131.08595	1.8
133.10135	54.5
135.11671	8.6
137.09607	9.8
145.10130	3.9
147.11703	12.2
149.13263	3.9
151.14795	4.2
160.12498	1.8
174.13651	1.9
175.14832	100.0
176.15205	1.8
192.14685	1.1
193.15872	27.2
209.15482	1.3
210.15697	3.7
216.78273	1.0
227.16570	1.2
228.16800	1.6
230.83363	1.1
372.89041	1.3
490.22021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05497	2.6
57.03433	1.7
59.04968	1.2
67.05507	2.3
69.03416	4.7
69.07075	6.8
70.06595	2.2
71.04984	1.0
72.08125	1.7
73.02871	1.3
81.03422	3.2
81.07055	5.1
83.08610	1.9
85.02915	8.7
87.00826	3.4
91.05463	4.4
93.07044	4.1
95.08628	6.1
97.02898	5.2
97.06586	1.5
99.04453	1.6
105.01860	3.7
105.07030	7.7
107.08587	4.3
109.02873	2.5
109.10162	2.7
119.08587	32.2
120.08157	1.3
121.10146	3.2
123.04428	1.2
123.11681	1.9
125.09624	1.1
127.03923	4.7
131.08586	2.8
133.10132	26.6
135.11694	1.8
137.06030	1.4
145.04976	3.5
145.10132	1.7
147.11687	4.7
159.02942	1.7
160.12460	1.3
173.13284	2.3
175.14835	100.0
176.15140	2.4
177.16399	2.1
192.02370	1.3
193.15913	4.0
210.15770	1.1
211.16895	1.6
231.05032	1.1
246.68037	1.1
332.16022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
55.16814	0.6
57.03440	1.5
59.05003	7.6
61.02930	1.0
65.35190	0.8
67.05508	1.4
69.03433	4.3
69.07083	0.9
69.72822	3.1
70.06602	4.8
71.04996	0.7
72.08167	3.5
73.02924	1.2
81.03439	3.0
81.07036	0.8
83.04990	2.0
83.39149	0.7
84.04505	1.0
84.08155	1.5
85.02912	10.6
85.06525	1.0
86.03236	0.7
86.09710	2.9
87.00830	0.9
87.04474	3.3
88.04002	1.0
89.06039	100.0
91.05503	1.2
95.04996	1.2
97.02898	4.8
98.21454	0.8
99.04463	0.8
103.07594	3.7
105.01825	0.7
105.07043	1.8
105.60052	0.7
107.07093	2.6
107.08612	0.8
109.02887	2.5
109.10159	1.9
110.07111	0.9
110.10483	1.3
115.03902	1.0
116.07075	1.2
119.04980	2.0
123.04450	2.2
124.03973	0.9
127.03977	2.2
128.07193	0.7
130.08694	0.7
133.05017	1.4
133.06512	2.3
133.08612	50.3
137.05948	0.9
145.05017	1.1
147.04446	7.4
147.10204	1.2
151.03912	0.7
151.09627	3.9
161.05966	3.9
165.05498	2.6
177.11226	11.4
179.14345	2.7
180.14716	1.7
187.07443	0.7
189.05443	1.1
191.07111	0.7
191.12822	0.8
191.14467	0.7
193.08627	2.2
194.00404	2.0
195.12297	3.6
197.06160	0.9
201.05534	0.7
209.02684	5.6
209.15378	1.2
210.15726	1.2
214.13774	0.6
215.07188	1.1
221.13881	1.0
226.08691	0.7
239.14905	64.9
243.06535	1.6
255.12061	0.6
256.13373	1.1
261.07571	1.6
272.09280	1.3
279.08826	0.8
297.19095	63.0
298.19601	0.7
476.15411	3.6
476.25641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01879	11.8
55.05518	2.3
57.03439	17.6
59.04998	2.6
60.63126	1.4
61.02932	18.5
62.80988	1.7
67.05495	5.9
69.03082	2.7
69.03428	36.2
69.07067	3.9
69.59205	1.5
70.06589	4.9
71.01355	4.9
71.05000	3.6
71.54939	1.8
71.55347	3.9
72.08145	6.5
73.02918	100.0
75.30853	1.5
79.05495	5.2
81.03402	8.0
81.07067	6.3
85.02908	81.0
86.09715	2.5
87.04478	4.8
91.03944	4.5
91.05486	2.8
93.07063	4.6
95.04964	1.8
95.08606	3.5
95.56143	1.9
97.02895	56.6
98.03230	2.3
99.04461	6.1
103.03963	2.7
105.07034	14.1
107.04979	4.3
107.08593	3.6
109.02888	10.1
109.10143	3.2
111.79649	2.1
114.05515	2.2
115.03930	30.4
115.05477	1.6
119.08583	9.3
120.08099	2.1
121.10115	3.0
124.05218	9.2
127.03922	26.4
131.08609	2.3
131.25258	1.8
133.04970	32.6
133.06503	7.3
133.10123	7.2
136.27306	1.7
137.06000	12.5
144.06561	2.9
145.04959	36.6
147.04370	2.4
147.11687	3.1
148.11859	3.0
149.88580	1.8
162.07603	2.1
163.06029	6.3
165.09132	28.7
173.13289	5.8
174.13654	3.9
175.14841	6.9
180.08775	2.2
199.06084	2.9
201.09132	2.9
209.15402	4.1
210.15697	3.4
223.06079	4.9
241.07091	7.8
243.10211	3.9
259.08087	4.2
261.11249	3.7
391.34409	1.8
399.73520	1.9
432.44678	1.9
447.42963	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.67597	0.7
55.01887	3.7
57.03437	1.1
61.02928	0.9
68.99791	1.2
69.03433	7.5
70.06586	2.9
70.89392	1.6
70.89742	0.8
71.05032	1.7
72.08145	1.5
73.02910	3.3
74.50127	0.7
75.87562	0.8
79.05503	4.8
81.03435	6.9
84.08141	1.7
84.36169	0.7
85.02914	19.4
86.09721	0.9
87.00842	8.6
89.06036	0.8
91.05487	3.6
95.04980	2.2
97.02907	8.7
99.04457	3.3
103.03949	1.1
103.05448	4.9
105.01868	4.3
105.07038	44.1
107.04972	6.1
108.04478	3.0
109.02892	6.9
115.05468	8.0
117.01900	1.1
118.04176	3.6
119.04974	1.7
126.05508	2.0
127.03931	10.1
128.07098	2.0
129.01854	1.3
131.04909	1.4
133.06505	47.0
136.50697	0.7
143.04976	1.1
143.06036	3.4
145.05029	4.8
147.04420	1.4
159.02924	4.1
161.05994	100.0
162.06351	1.2
165.09177	1.9
165.57486	0.8
168.06520	1.4
174.07498	0.8
193.08621	86.2
210.15717	1.0
211.09744	1.3
231.05026	1.3
248.07748	2.9
253.21465	0.7
256.13571	1.8
272.20938	0.7
277.34012	0.7
323.66370	0.8
432.80460	0.7
435.59152	0.7
476.15619	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	475.3785
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
53.03938	7.2
54.58002	3.1
55.01876	3.8
55.05513	21.0
56.55000	3.1
57.03439	24.5
57.07078	38.5
61.02930	47.7
61.28336	3.5
67.05509	41.7
69.03434	38.4
69.07080	29.5
69.89181	12.3
69.89587	6.9
71.01347	6.4
71.04981	14.4
71.08633	34.2
73.02919	24.9
75.57655	3.1
79.05488	28.6
81.03436	16.7
81.07059	52.1
83.04981	8.7
83.08622	32.4
85.02911	49.2
85.10207	18.5
91.03959	35.9
91.05471	19.3
93.07050	43.6
94.06087	3.0
95.04970	6.0
95.08614	70.1
97.02897	40.4
97.06551	10.6
97.10162	9.3
99.04465	7.9
99.08074	6.6
101.02384	13.1
103.03898	4.3
105.07027	29.3
107.08601	43.6
109.02887	11.2
109.10168	42.8
111.08101	4.4
111.11743	5.3
117.05484	3.1
117.07035	6.0
119.08587	30.3
121.10152	30.7
123.08053	8.1
123.11695	11.5
125.09633	27.7
127.03909	19.0
127.11205	13.3
129.05544	4.0
129.06943	4.4
131.08583	11.4
133.10139	22.1
135.11713	27.1
137.13315	6.0
141.09166	3.9
143.08575	8.1
145.04967	6.9
145.10129	16.8
147.11746	18.0
149.13258	7.1
157.10126	8.4
159.11650	23.0
161.13292	9.1
163.11169	27.5
163.14813	4.2
165.12813	17.2
171.11676	11.2
173.13293	8.9
175.14845	4.6
183.06580	4.6
183.13911	7.0
185.13315	6.3
187.14830	10.9
189.16408	6.1
191.18010	5.9
193.15820	4.7
199.14844	7.2
201.07625	6.7
201.16345	16.4
203.17976	21.2
206.47751	3.5
207.13852	3.8
211.16878	5.5
213.16370	7.3
215.18039	4.5
227.18069	6.1
229.19501	4.0
239.23756	28.4
249.18535	30.4
269.22690	26.3
287.23810	5.8
305.24542	5.2
313.27371	100.0
421.34647	14.2
439.35776	88.8
457.36581	13.1
475.32022	15.3
475.38388	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22594	0.7
57.03433	0.8
68.77093	0.7
69.03427	3.2
70.06600	6.0
71.53802	0.7
71.54258	0.8
72.04519	0.9
72.08160	100.0
73.08478	0.8
81.03425	1.5
84.04510	1.7
84.08147	1.7
85.02922	4.8
86.09706	2.2
87.00829	0.9
89.10799	35.5
91.05521	1.3
97.02906	2.9
97.06539	0.9
99.74773	0.7
104.19108	0.7
107.04964	1.3
109.02916	0.9
113.30323	0.8
114.09178	4.3
116.07106	1.0
119.04947	3.0
126.09206	3.1
127.04027	0.9
132.04485	2.6
133.04846	2.2
137.06012	2.1
140.04706	0.9
147.04427	16.9
151.06175	0.9
155.07088	1.0
165.05527	1.2
168.04221	1.2
175.20837	0.9
183.06546	42.6
184.06950	0.8
193.04948	1.5
198.96980	2.0
204.27353	0.8
209.15312	0.9
216.97864	1.5
218.68669	0.8
224.09274	1.7
225.07391	0.7
234.99185	1.1
243.09769	0.9
260.12326	1.2
278.13800	1.4
285.12015	0.8
295.13589	0.7
295.16370	4.5
296.14969	8.0
302.12411	1.1
303.12708	1.8
313.17569	31.9
343.01053	1.1
345.13226	4.0
346.13358	13.8
355.18884	0.9
475.23120	19.1
476.15674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.7
55.05511	5.8
57.03431	7.9
61.02951	4.9
61.03282	4.5
67.05524	7.6
69.03434	24.1
69.07068	7.1
69.40160	31.3
70.06595	9.1
71.04990	6.4
73.02887	5.4
74.31210	4.1
79.05494	8.0
81.03413	15.3
81.07059	9.7
83.04967	7.4
83.08596	8.1
84.08188	4.5
85.02906	43.6
85.06570	6.3
86.09713	15.3
87.00829	25.1
91.05470	4.9
93.07050	8.8
95.04966	61.7
95.08624	10.4
97.02898	13.8
97.06541	25.1
99.04450	22.0
101.76543	4.0
105.01875	10.7
105.07047	12.9
107.08604	10.8
109.02864	11.1
109.06496	27.9
109.10168	14.7
111.08129	4.8
119.08580	11.7
121.10150	18.6
123.08067	10.1
125.09640	10.1
127.03922	21.0
131.08551	10.2
133.10158	38.6
135.08090	8.6
139.11150	4.6
143.38550	4.9
145.04948	8.7
147.11729	23.0
149.09674	7.3
151.11226	7.3
153.09113	37.3
159.03009	6.2
165.12730	7.9
171.10201	5.6
173.13258	27.9
173.74416	5.3
177.05484	5.8
191.14288	36.6
207.13739	4.7
209.15379	100.0
227.16412	50.1
229.11772	6.5
247.12904	4.9
252.68867	4.4
270.36542	4.7
289.62894	4.3
329.35324	4.7
488.69333	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	475.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.4
55.01859	2.4
55.05507	3.7
56.40077	2.0
57.03430	5.0
57.07078	2.2
59.05007	3.1
67.05509	6.1
69.03431	28.9
69.07057	7.4
70.76225	2.6
70.76550	5.8
71.04987	5.4
73.02927	3.0
79.05487	7.1
81.03413	15.1
81.07069	12.0
83.04990	5.6
83.08572	3.4
85.02902	23.1
85.06552	5.5
86.09727	2.5
87.00820	10.5
91.05473	4.2
93.07046	17.8
95.04943	4.0
95.08607	15.6
97.02880	8.9
97.06537	2.2
99.04440	5.4
99.08076	10.0
105.01864	6.6
105.07040	7.9
107.04971	4.3
107.08604	29.1
109.02866	9.8
109.06509	7.3
109.10130	11.3
111.08102	4.0
116.39945	2.1
117.01845	3.2
119.08563	4.0
120.40094	2.1
121.06505	14.2
121.10163	23.0
123.08091	16.4
123.11699	7.5
125.09621	11.9
127.03925	20.8
131.08562	10.2
133.10155	14.9
135.08038	10.4
135.11694	4.7
137.09601	3.9
145.04904	3.0
145.10162	4.1
147.11681	7.3
149.09622	40.8
149.13261	9.7
151.11154	14.1
153.09122	8.4
159.02892	4.8
163.11104	3.2
163.14801	15.9
165.12720	3.9
169.12233	3.8
173.13303	18.2
183.13803	6.4
191.14316	45.6
205.42500	2.5
209.15367	100.0
227.16327	5.2
231.05048	4.4
246.49399	2.1
262.60034	2.3
307.99643	2.4
323.98062	2.3
475.32520	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01862	6.3
55.05500	6.4
57.03445	9.7
61.02905	3.2
67.05507	10.3
68.99806	2.3
69.03078	2.5
69.03431	33.6
69.07063	6.3
70.06595	3.3
70.89415	4.4
71.04985	15.2
72.08161	2.8
73.02912	7.5
79.05493	8.5
81.03421	22.8
81.07061	15.7
83.04984	6.6
83.08607	7.5
84.08138	2.0
85.02907	53.6
85.06543	6.1
87.00832	26.2
91.03976	2.0
91.05476	17.5
93.07048	16.3
94.04705	1.6
95.04984	18.1
95.08614	15.0
96.42002	1.7
97.02892	19.1
97.06528	22.8
99.04458	44.2
99.08087	3.6
103.05465	2.5
105.01866	19.6
105.07040	19.6
107.04948	2.1
107.08597	26.5
109.02876	18.3
109.06516	35.6
109.10158	19.8
111.08078	6.2
113.05998	2.6
115.03953	2.2
115.07557	7.5
117.01824	2.4
117.06981	2.6
119.04954	4.4
119.08601	16.1
121.06500	2.8
121.10155	26.4
123.08094	17.3
123.11694	11.6
125.09637	6.0
127.03928	30.9
127.07564	3.0
127.11127	1.7
131.08568	13.5
133.10133	50.8
134.64458	1.7
135.08098	8.3
135.11691	5.7
137.05995	8.9
137.09613	6.5
139.11209	3.4
143.08542	2.1
145.04987	9.6
145.10146	4.6
147.02887	1.8
147.04405	7.7
147.11693	26.9
148.11966	1.6
149.09616	5.6
149.13287	17.0
151.03989	2.0
151.07526	8.2
151.11208	11.7
153.09109	14.7
158.10876	2.1
159.02905	9.0
161.13232	2.9
163.07532	3.2
163.11243	2.3
163.14813	7.6
165.12727	7.5
167.10669	2.9
169.08617	4.2
169.12268	6.6
171.10262	2.3
173.13254	25.7
175.14848	2.7
177.05484	2.6
183.13797	8.7
191.14314	37.4
192.14798	3.6
207.13889	2.2
209.15379	95.5
227.16426	100.0
231.05028	4.2
233.06026	2.9
265.08371	2.6
292.07190	2.5
293.08078	3.7
307.09567	4.1
325.10660	7.7
457.20816	2.7
475.16168	3.5
475.22287	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	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	13.4
54.08243	4.1
55.01873	13.1
55.05519	9.8
57.03445	9.2
59.04993	5.1
61.02932	8.0
65.03954	6.3
67.05511	17.8
69.03441	45.5
69.94794	8.3
69.95193	9.3
70.06590	27.4
71.04998	7.4
72.08153	18.9
73.02921	12.0
79.05500	16.9
81.03421	35.7
81.07072	28.1
83.04990	18.7
83.08619	5.1
84.04537	4.9
84.08163	10.8
85.02911	97.4
85.06535	7.9
86.09722	26.2
87.00830	30.7
91.05480	21.5
93.07061	17.7
95.04984	31.7
95.08613	19.8
97.02914	26.9
97.06538	22.4
98.21480	8.5
99.04468	20.6
99.08106	10.6
101.48491	4.8
103.05467	7.1
105.01881	30.2
105.07051	33.8
105.07647	5.7
107.08599	22.5
109.02905	37.3
109.06534	39.4
109.10151	25.0
110.07155	6.5
111.08091	10.2
115.07591	11.3
119.08591	17.3
121.10172	30.5
123.08096	10.0
123.11748	6.6
125.09657	11.1
127.03933	52.4
128.07094	5.8
129.01804	5.9
131.08556	11.0
133.06508	9.3
133.10129	44.6
135.04381	4.2
135.08070	8.1
135.11693	10.7
137.05949	10.5
137.09653	7.8
139.11166	4.8
145.05008	13.2
145.10103	5.5
146.06015	5.2
147.04411	21.2
147.11749	21.2
149.09705	8.8
149.13272	8.0
151.11169	4.9
153.09103	17.6
159.02979	11.0
161.06006	18.5
161.13303	6.9
163.03864	4.4
163.11261	5.0
163.14868	13.1
165.12805	10.3
171.10260	4.7
173.13293	25.1
177.05550	9.5
179.14380	24.5
181.05042	7.2
191.14291	38.0
193.08655	15.2
193.15926	4.7
197.15471	25.4
201.05516	5.3
209.15384	100.0
227.09149	9.0
227.16447	59.2
231.05054	12.1
247.13156	4.7
261.96664	4.9
280.25430	4.2
293.07971	6.1
307.09622	10.8
325.10776	12.2
457.20807	5.7
468.62354	5.2
475.17194	18.5
475.27887	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	475.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61722	2.3
53.03942	3.8
53.50924	2.2
55.01867	3.5
55.05510	4.2
57.03421	3.9
59.04995	4.5
59.53033	2.6
67.05497	4.8
69.03423	12.8
69.07065	4.3
69.82495	5.8
69.82903	9.5
70.06599	14.2
71.04987	8.5
72.08144	5.8
79.05486	3.8
80.53796	2.2
81.03405	9.9
81.07044	8.1
83.08607	4.4
85.02899	19.9
85.06526	3.4
86.09707	6.2
87.00829	5.4
89.03889	3.3
91.05475	4.0
93.07032	5.6
93.76647	2.7
95.04972	41.3
95.08608	6.0
97.02884	8.2
97.06506	7.5
98.20807	3.8
99.04468	20.7
105.01875	4.9
105.07014	5.9
107.08592	10.6
109.02882	6.7
109.06523	13.0
109.10163	7.3
117.03420	17.5
117.05471	3.7
118.28839	2.4
119.08563	6.8
121.10163	8.2
123.08052	5.2
127.03935	13.2
127.21069	2.8
131.08505	3.9
133.10149	14.5
135.08157	2.5
137.06009	2.5
138.09077	3.3
145.02850	45.0
145.04971	3.6
146.18343	2.4
147.11678	5.3
149.05978	6.7
149.09579	3.1
153.09161	15.8
165.12732	4.0
166.08569	6.9
173.13275	6.9
177.05484	100.0
191.14323	18.2
209.15395	50.7
227.16411	20.8
240.41011	2.4
271.86972	2.4
323.39627	3.0
339.10635	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	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05507	5.1
57.07751	2.8
67.05520	6.4
68.99084	2.7
69.03437	46.6
69.07073	4.5
69.53859	2.7
70.06586	7.2
71.04980	3.0
71.55444	4.8
71.55806	2.7
72.08170	6.8
73.02955	2.8
79.05502	6.4
81.03416	7.4
81.07056	12.2
83.00334	2.9
83.04966	4.7
85.02903	15.4
85.06559	4.9
87.00837	11.0
91.05483	5.3
91.76402	2.6
93.07051	7.7
95.08616	12.8
97.02911	8.6
97.06523	8.5
98.06848	3.0
99.04498	4.5
103.05384	2.7
105.01869	5.3
105.07042	7.3
107.08604	12.3
108.66878	3.0
108.99093	2.7
109.02895	4.8
109.06535	5.2
109.10172	7.7
111.08083	4.2
119.08617	6.6
119.20233	2.8
121.10156	13.2
123.08112	4.3
123.11715	6.0
125.09635	20.1
126.51910	2.3
127.03940	7.9
130.91505	2.3
131.08589	7.9
133.10161	11.4
135.08066	11.9
135.11719	5.2
136.06171	3.7
136.08704	6.5
138.05441	2.5
145.10132	7.2
147.11711	4.0
149.09662	5.1
149.13205	3.5
153.09157	4.8
158.10893	4.3
159.11641	4.0
161.13139	2.4
163.11180	3.1
163.14801	6.7
165.09129	7.4
165.12700	4.0
166.09462	7.2
173.13283	26.0
191.14305	84.9
209.15382	100.0
214.18051	12.4
325.57941	2.8
474.24490	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	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.4
55.01879	3.2
55.05516	3.5
57.07062	2.7
57.29687	2.4
61.02921	3.2
67.05511	13.2
67.32011	2.4
69.03429	48.4
69.07058	7.4
69.34921	21.3
70.04065	4.0
70.06590	10.9
71.04984	5.9
72.08133	3.9
73.02925	2.8
78.63576	2.3
79.05478	7.6
80.59787	2.2
81.03429	3.9
81.07048	9.3
82.04650	2.6
83.04976	8.0
85.02923	20.4
85.06538	5.3
87.00822	7.8
91.05470	8.6
91.45958	2.1
93.07040	10.1
95.08610	10.5
96.17287	2.5
97.02881	12.2
97.06539	7.9
98.20688	4.8
98.80300	2.4
99.08086	3.0
105.01851	6.1
105.07027	6.5
107.08589	18.7
109.02876	6.6
109.06493	4.3
109.10165	7.2
110.07165	3.0
111.08107	3.5
116.07105	2.7
119.08591	6.9
121.06522	4.9
121.10130	16.7
123.08105	3.5
123.11700	9.2
125.09632	22.0
127.03912	13.1
131.08571	9.2
133.10120	9.8
135.08073	13.4
135.11697	5.9
136.06221	5.7
136.07541	2.5
136.08620	3.2
137.05981	5.6
143.08565	2.8
145.05011	6.9
145.10117	7.9
147.11705	3.9
149.09608	7.4
149.13292	4.0
153.05513	3.5
153.09114	5.8
157.17662	2.6
158.10860	5.8
163.11148	2.8
163.14824	4.4
165.09114	8.7
166.09485	5.9
173.13281	21.2
191.14325	69.9
193.18225	2.3
209.15373	100.0
214.18048	15.6
294.17300	3.1
402.58777	2.4
474.21194	2.8
493.20755	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	474.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01875	0.7
55.05515	0.5
57.03440	2.3
57.07063	0.3
61.02934	0.5
67.05507	0.8
69.03435	1.4
69.07077	1.9
70.04084	100.0
70.06603	0.5
71.05031	0.3
72.08147	0.5
79.05500	0.6
81.03445	0.7
81.07085	0.8
85.02909	5.4
87.08123	0.5
89.93150	0.3
91.03958	0.5
93.07059	0.4
95.08615	0.5
97.02886	2.2
97.06537	3.9
105.07071	0.3
107.08625	0.6
109.02927	0.7
109.06532	0.3
109.10180	0.5
110.73684	0.3
114.83286	0.3
115.07570	7.2
127.03896	1.6
133.10216	0.4
136.06165	0.3
145.04974	3.0
158.16826	0.3
163.06100	0.7
165.09087	0.5
173.13385	0.4
184.10872	0.6
191.14365	1.0
209.15483	0.4
232.09366	1.0
233.79385	0.3
301.08258	0.4
309.05917	0.3
474.18890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89406	0.3
63.12760	0.3
69.88952	0.6
69.89352	1.0
89.17913	0.4
96.04494	0.3
98.27683	0.3
104.05002	0.5
105.03371	0.7
105.05815	0.8
106.06580	0.4
111.05569	3.7
113.40505	0.3
120.04478	2.6
123.05560	0.7
125.05865	0.5
126.06663	2.0
132.04468	23.3
134.06021	4.7
137.04723	1.4
146.02386	0.6
150.05614	0.4
151.06155	9.7
152.04530	0.5
158.06026	0.4
180.13730	0.4
194.06767	4.1
195.07562	0.8
202.09776	1.9
204.14034	0.3
214.09900	0.3
216.11263	0.8
227.09181	0.5
230.09206	0.8
232.10815	0.7
242.09239	4.5
252.08708	0.3
256.43289	0.4
257.10361	4.6
258.08591	0.5
259.11908	10.2
284.11444	5.8
295.82776	0.3
302.12509	13.6
327.11908	3.8
345.13086	100.0
346.13388	3.1
456.16248	0.8
467.05252	0.4
474.17444	10.1
474.24115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77879	0.7
53.03947	3.5
55.01876	3.6
55.05492	0.8
56.05019	0.8
57.03442	3.9
59.04979	1.1
61.02931	3.6
64.91145	0.6
67.05491	1.7
68.99777	1.8
69.03082	0.8
69.03434	13.5
69.07056	1.8
70.04077	1.3
70.06586	3.3
71.05003	3.0
71.55353	1.0
72.08150	3.3
73.02914	2.6
79.05479	1.2
80.06374	0.7
81.02988	1.0
81.03426	13.9
81.07045	2.6
83.01305	0.8
83.04954	1.0
84.08155	1.2
85.02909	30.7
86.09704	2.3
87.00832	12.3
87.04464	0.9
89.03893	3.6
89.06051	0.7
91.03969	1.5
91.05468	2.4
93.07045	1.9
94.07383	0.8
95.04982	1.2
95.08630	2.3
97.02896	13.0
97.06535	2.1
99.03909	0.9
99.04462	7.2
99.08084	0.9
105.01865	8.8
105.07030	2.0
107.04924	0.7
107.08572	1.7
108.04472	1.3
109.02887	11.0
109.06519	0.7
109.10133	1.6
117.01873	2.1
117.03385	11.7
117.06998	0.7
119.08569	2.0
121.06512	1.1
121.10152	1.7
123.04451	0.7
123.08035	1.2
125.09621	0.8
126.05528	0.9
127.03919	21.2
129.01797	1.4
129.06975	0.6
131.04877	1.0
131.08609	0.8
133.10144	1.5
134.03676	0.9
135.04404	1.9
136.06139	0.7
136.08725	0.9
137.09607	0.9
145.02856	38.0
145.04916	10.2
145.10190	1.1
147.02916	1.4
147.04369	1.7
149.05991	5.5
150.09103	1.5
159.02908	7.5
162.03090	1.0
163.03931	1.4
163.07509	0.8
165.09119	6.2
166.09462	2.0
167.07094	1.3
171.03030	0.7
173.13222	0.7
175.14844	0.7
177.05478	100.0
178.05777	1.2
186.05576	0.9
191.07004	0.9
191.14282	1.5
205.12219	0.8
209.08105	38.3
209.15381	1.3
213.03793	0.8
215.07053	0.8
219.06529	1.5
231.04994	3.4
285.07632	1.1
415.15259	2.1
474.15909	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3631
Annotation	Jujubogenin
Peak:m/z	Relative Intensity
51.41917	4.2
53.03941	7.8
55.01860	14.9
55.05263	6.6
55.05515	61.6
55.87555	4.2
57.03446	25.6
57.07088	24.2
59.04996	6.9
61.02932	68.2
67.05515	50.9
69.03436	38.2
69.06728	5.7
69.07076	76.1
71.04990	10.7
71.08621	16.4
71.55952	6.8
73.02923	30.6
79.05486	43.6
81.03435	25.3
81.07065	91.4
83.04974	19.0
83.08623	59.0
85.02912	60.1
85.06528	12.1
85.10184	7.3
91.03968	33.6
91.05492	21.2
93.07050	47.4
95.04962	7.9
95.08620	72.0
97.02905	58.5
97.06535	17.2
97.10181	49.1
99.04457	14.7
99.08077	7.3
101.02359	15.5
103.03949	10.1
103.05508	5.1
105.07044	56.7
106.12141	4.4
107.05008	4.1
107.08600	85.2
109.02908	9.4
109.06543	20.6
109.10169	85.9
111.08095	22.2
111.11726	17.1
117.06994	7.9
119.08589	59.9
121.06506	6.8
121.10162	61.6
123.08063	13.9
123.11713	25.5
125.09650	10.6
127.03928	28.5
129.05487	6.9
130.07820	4.1
131.08566	14.0
133.10147	39.7
135.07970	6.0
135.11697	32.4
137.09610	17.5
137.13249	15.1
139.11139	5.6
141.06992	5.1
143.08614	13.4
145.04919	9.5
145.10110	25.3
147.11694	61.8
149.09663	10.9
149.13289	11.9
151.11188	12.2
157.10121	18.9
159.11771	24.3
161.09663	6.5
161.13257	17.3
163.11198	14.7
163.14841	4.9
165.09102	12.8
165.12775	71.5
169.10109	7.7
171.11751	9.8
173.13309	11.0
175.11264	10.4
175.14857	9.7
177.12811	5.5
177.16460	9.2
183.11661	7.4
185.13197	6.4
187.14850	11.9
189.16400	10.6
193.12212	13.7
193.15877	10.4
197.13290	7.0
199.14789	8.3
201.07390	4.7
201.16408	34.7
203.14337	9.4
203.17903	6.0
205.06389	5.4
205.15918	4.4
211.14853	10.2
213.16385	8.1
215.17896	5.7
219.17461	6.6
221.15358	14.5
231.17378	9.7
237.22176	21.6
243.17584	7.5
249.18507	16.0
267.21109	8.0
267.34009	4.3
285.22076	10.9
291.23523	5.4
303.23279	11.7
311.25854	100.0
317.24820	5.0
321.24399	7.4
327.23297	9.7
338.93292	4.4
345.24313	11.8
357.54721	4.3
363.26944	4.7
381.28143	7.2
419.32986	14.6
437.34479	29.4
455.29919	4.7
455.35403	34.3
473.30582	11.9
473.36325	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.363
Annotation	16-Oxolycoclavanol
Peak:m/z	Relative Intensity
53.03963	5.0
55.01876	3.6
55.05513	13.2
55.09394	2.3
57.03437	2.4
57.07080	4.9
67.05512	21.3
69.03435	40.3
69.07076	19.7
70.46918	7.7
71.04990	4.6
79.05493	16.9
81.07066	38.2
83.05008	3.9
83.08620	9.7
85.06566	4.2
91.05489	19.6
93.07053	41.1
95.04974	6.3
95.08621	46.8
96.40415	2.4
97.06544	28.9
97.10191	5.1
103.05447	2.8
105.07039	33.3
107.08603	69.5
107.09300	4.5
109.06533	9.7
109.10180	33.9
111.08095	8.7
113.09663	2.6
115.59266	2.4
117.07030	4.6
119.08592	49.3
121.06493	2.5
121.10151	41.7
123.08071	9.9
123.11720	16.0
125.09648	45.2
131.04875	2.4
131.08591	15.1
133.10129	33.6
135.08092	4.3
135.11713	46.0
137.09656	4.8
137.13284	5.2
139.11211	7.2
143.08542	5.1
145.10153	27.4
147.11700	30.1
149.09674	3.9
149.13287	8.1
149.46281	2.6
151.11223	6.8
153.09190	5.6
157.10167	10.3
158.11035	2.8
159.11713	30.7
161.09676	20.6
161.13275	17.9
163.11195	23.7
163.14854	10.0
165.12755	15.9
169.10162	4.0
171.11713	11.1
173.13258	19.9
175.14871	7.5
177.12727	3.2
177.16429	5.1
181.12271	10.4
183.11774	4.3
185.13283	9.1
187.11206	2.9
187.13417	2.3
187.14793	16.1
189.16388	9.3
191.14442	5.9
191.18034	6.3
193.12276	3.0
197.13290	7.1
199.14888	9.1
201.16391	36.1
203.17964	25.8
209.13353	2.7
209.15398	4.6
211.14864	7.0
213.16418	9.3
215.18027	3.2
219.17513	3.7
221.15346	3.0
225.16426	3.3
227.18008	11.7
229.15878	5.1
229.19600	2.8
247.16899	25.9
253.19513	4.5
257.22659	2.8
267.21075	3.8
269.22672	26.2
281.22809	3.7
285.22495	3.4
305.24734	3.3
333.18582	2.9
339.06595	2.7
353.28558	4.0
410.29828	5.8
413.34351	11.3
419.33035	9.6
437.34183	100.0
438.34232	4.6
455.35361	20.0
473.35910	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	473.3626
Annotation	Sumaresinol
Peak:m/z	Relative Intensity
53.01974	0.7
55.05512	6.9
57.07078	2.9
59.04994	0.8
65.03925	1.5
67.05508	13.8
69.03454	1.2
69.07072	11.2
69.44604	6.7
72.34144	0.8
79.05492	8.4
81.07061	21.6
83.04993	1.2
83.08635	5.7
85.06574	1.6
89.38531	0.8
91.05482	7.1
93.07056	15.5
95.04984	2.5
95.08614	39.9
97.10186	2.3
105.06384	1.6
105.07041	17.8
107.07879	1.1
107.08603	23.1
107.09299	1.7
109.06511	2.5
109.10168	26.0
111.08107	2.2
114.12076	0.9
117.07037	2.5
119.07794	1.6
119.08591	23.1
121.06527	1.5
121.10154	20.0
123.08066	2.2
123.11710	9.8
125.09631	2.1
127.11192	1.0
128.06229	1.4
129.07024	1.8
131.08566	8.0
133.06427	1.0
133.10135	18.5
135.08081	2.9
135.11699	9.4
137.09636	2.8
137.13269	7.9
139.07536	2.3
139.11160	1.0
139.18721	1.0
143.08571	5.8
144.09315	1.1
145.10146	10.7
147.08081	2.3
147.11705	10.0
149.09630	2.5
149.13232	5.5
151.07565	2.6
151.11105	1.6
151.14822	2.1
153.09027	2.4
155.08549	2.0
156.09393	1.5
157.10147	5.9
158.10918	1.1
159.08130	1.3
159.11685	9.1
161.09572	2.4
161.13298	6.9
163.11331	1.8
163.14828	2.8
165.09177	5.4
165.12758	0.9
167.14384	0.9
169.10117	3.5
170.10915	2.0
171.11671	5.2
173.09554	1.0
173.13263	6.7
175.11246	2.2
175.14844	16.9
177.16411	2.5
179.08636	1.0
179.10690	2.1
179.14378	1.8
181.10147	1.7
181.12292	1.4
182.11009	1.6
183.11713	2.7
185.13246	4.5
187.14859	4.4
189.12752	1.9
189.16385	7.6
191.10660	1.1
191.14439	1.1
191.17976	2.1
193.12152	2.1
194.10988	1.5
195.11708	2.3
197.13283	3.5
199.14824	4.2
201.12802	1.3
201.16411	3.3
203.14365	2.9
203.18007	5.0
205.15953	1.9
207.11809	1.8
207.13657	1.2
207.17444	5.9
209.13246	2.6
211.14844	2.1
213.16415	2.7
215.17940	2.5
217.15907	1.5
217.19543	1.7
219.13779	1.1
219.17606	1.2
221.13474	1.5
221.15404	5.2
223.14896	2.3
225.16374	1.6
225.18489	1.2
227.18015	1.1
229.19548	2.6
231.17406	1.3
231.21317	1.0
233.15421	1.6
233.18954	1.1
235.16888	1.6
235.20677	1.5
237.16388	2.1
239.17891	2.2
241.19568	3.5
243.17444	1.6
243.21199	1.4
245.19019	1.6
247.16856	1.9
249.18645	2.6
255.21124	2.1
257.19067	1.4
259.20541	5.4
261.18539	0.9
265.19577	1.4
267.21164	1.2
271.20673	1.5
273.22260	1.9
275.20193	1.0
285.16080	1.1
287.20233	1.4
293.22476	1.3
297.06577	1.0
299.20261	2.1
301.21582	2.7
317.22665	1.3
391.33359	2.2
409.34705	15.5
419.33173	1.8
425.34308	1.5
427.35767	27.5
437.34229	9.7
455.35223	100.0
456.35492	3.2
473.35284	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3629
Annotation	Sumaresinol
Peak:m/z	Relative Intensity
53.03957	2.3
55.05511	7.9
55.15991	1.4
57.07072	3.0
67.05508	15.9
69.03428	1.6
69.07074	11.6
69.51684	10.0
79.05496	7.2
81.07065	26.2
83.04965	2.2
83.08632	7.3
85.06476	1.8
91.05503	7.5
93.07046	18.0
95.08615	39.5
97.06538	3.1
97.10166	4.1
105.07045	17.6
107.08607	22.3
109.06538	2.9
109.10162	20.2
111.08034	2.5
117.06998	3.5
119.08598	20.6
121.06494	4.3
121.10143	16.9
123.08040	1.8
123.11700	10.4
125.09624	1.6
129.07080	1.9
131.08604	8.1
133.10141	18.2
135.08087	2.8
135.11699	10.4
137.09631	3.7
137.13271	5.7
139.07588	1.9
143.08530	3.3
145.10144	12.1
147.11714	12.4
149.09641	3.9
149.13231	9.0
151.14841	3.0
153.09105	1.8
157.10167	6.4
159.11700	9.3
161.09572	2.7
161.13264	10.1
163.11201	2.1
163.14812	13.2
165.09135	3.2
165.12706	1.6
169.10170	3.4
171.11722	5.2
173.13289	7.5
175.14865	12.7
177.16418	8.4
183.11746	2.4
185.13284	4.5
187.11205	2.7
187.14844	7.8
189.16391	11.4
193.12329	3.3
197.13300	3.3
199.14841	4.6
201.16434	4.4
203.14330	2.9
203.18039	5.7
207.17415	3.9
211.14822	3.9
213.16414	2.1
215.17981	3.5
217.15784	2.3
217.19472	2.9
221.15419	2.3
229.19554	4.6
233.18793	1.6
235.16982	2.2
239.17963	2.8
241.19574	5.0
247.16939	1.8
249.18454	2.4
253.19531	2.5
267.21188	1.9
271.20599	6.7
273.22302	1.6
275.20062	2.1
285.22006	1.6
287.20078	2.3
299.20053	4.3
301.21606	2.7
353.24817	1.5
391.33417	3.2
407.33136	2.7
409.34695	18.5
419.33139	2.5
425.34088	4.8
427.35812	16.8
437.34250	21.3
455.35251	100.0
456.35690	3.3
473.36374	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	6.4
55.05523	5.5
57.07054	5.0
64.16558	4.6
67.05515	31.0
69.03419	15.2
70.06582	9.7
71.46651	8.6
72.08150	12.5
73.98940	4.2
79.05517	6.3
81.03414	9.2
81.07034	7.0
84.08108	5.6
85.02900	19.0
85.06544	10.3
86.09698	25.8
87.00826	14.7
87.04452	14.9
89.06023	31.3
91.05477	9.7
92.85960	4.5
93.07032	13.5
95.08614	100.0
97.02879	11.4
103.03929	22.4
105.01847	12.3
105.07031	11.3
107.08588	15.7
109.02905	7.9
113.06026	12.4
119.08589	15.1
121.10165	10.7
123.08091	39.0
127.03906	16.4
133.08629	11.2
135.11679	13.6
137.09607	14.2
145.04958	6.7
145.07515	5.9
147.11639	12.7
149.09648	40.8
151.07552	5.8
161.13193	13.4
163.11185	8.1
165.12723	6.8
168.06586	4.3
177.11151	5.4
178.05049	10.0
189.12808	26.6
206.04517	15.3
207.04826	6.2
207.13834	80.8
261.14322	7.2
473.23447	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	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40130	3.2
67.05505	26.4
67.05813	4.3
69.03425	8.6
70.06587	8.3
70.15211	11.0
72.08173	8.6
73.60795	3.8
79.05505	3.8
81.03423	9.1
84.08147	3.9
85.02905	19.6
85.06553	10.7
86.09714	11.8
87.00837	9.9
87.04465	4.3
89.06013	11.0
91.05495	4.6
93.07050	9.0
95.04965	5.3
95.08613	100.0
97.02899	7.4
98.21391	6.4
99.04477	5.0
101.80897	3.7
103.03957	12.2
105.01868	14.7
105.07040	10.3
107.08590	5.5
109.02862	8.3
109.06538	5.9
109.10199	3.3
112.14706	3.7
113.06016	15.0
119.08600	18.7
121.10162	5.8
123.08043	33.6
127.03912	15.9
133.08632	6.3
133.10135	4.8
135.11699	14.2
137.09665	11.0
147.11702	7.7
149.09633	41.6
151.07529	7.0
161.13217	16.2
161.45502	3.5
163.11188	9.2
165.12747	6.5
167.47696	3.2
171.11763	3.7
178.05019	9.6
179.05409	7.8
179.14163	4.1
181.54254	3.6
185.58186	4.0
189.12796	22.8
196.90868	3.5
206.04544	11.4
207.04822	9.4
207.13817	82.0
213.15967	5.4
237.50514	3.9
250.87735	3.1
432.25845	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	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88023	0.9
53.03943	2.2
55.01853	3.7
55.05490	1.3
57.03429	1.1
58.53865	0.9
59.78692	1.0
60.03495	0.9
60.08147	1.4
60.11127	1.0
65.03926	1.0
67.05490	3.0
68.99773	1.4
69.03429	11.0
69.07059	1.1
70.06605	6.5
70.79652	2.1
71.04978	2.9
72.08173	4.8
73.02910	2.7
79.05468	3.0
81.03421	9.5
81.07056	2.5
83.04999	1.5
84.04517	1.9
84.08154	7.5
85.02912	18.4
85.06543	1.7
85.08492	1.2
86.09694	4.7
87.00831	5.8
91.05471	4.2
93.07060	1.6
95.04974	100.0
95.08596	2.3
97.02889	9.3
99.04449	9.0
104.10744	3.8
105.01845	3.6
105.07018	4.1
107.04939	1.2
107.08585	3.7
108.04444	1.0
109.02882	9.8
109.06519	2.0
109.10149	3.9
110.07185	1.2
111.08012	1.3
115.08691	1.1
117.01874	1.0
119.04936	2.0
119.08568	4.2
120.08121	2.4
121.10119	3.5
123.08067	3.7
124.07599	1.1
125.09626	1.5
127.03913	13.4
129.01852	1.6
129.10207	3.1
133.10118	1.9
135.08049	2.7
135.11702	1.5
136.07562	5.4
136.08470	1.1
137.05988	3.3
137.09657	1.2
145.04907	4.3
145.10109	2.4
147.04396	4.5
147.11647	3.4
149.09605	2.7
151.07530	2.7
153.09109	37.9
157.30812	1.0
159.02875	4.0
161.13266	2.2
162.09245	1.4
163.03932	1.2
163.11179	3.7
165.12752	1.2
175.03909	1.5
176.04326	1.3
189.12721	5.6
195.10019	1.3
207.06580	2.5
207.11754	1.6
207.13789	13.1
208.06851	1.8
209.10028	2.1
225.14874	29.7
231.05017	2.5
239.10182	1.4
265.11871	3.3
266.12198	3.8
270.86484	1.0
362.45898	1.2
428.59012	1.2
455.19180	2.8
473.15643	1.7
473.21896	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	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01854	2.6
57.03441	2.3
61.02918	1.1
65.03926	1.7
67.05493	3.5
68.00886	0.9
68.99787	1.3
69.03436	10.0
69.07060	2.6
70.06592	6.3
70.83290	2.0
71.01337	1.0
71.04974	2.8
72.08147	4.2
73.02889	2.3
79.05479	2.1
81.03426	10.8
81.07058	1.8
83.04956	1.0
84.04504	1.1
84.08162	5.3
85.02434	1.3
85.02913	18.2
85.06551	1.1
86.09702	5.2
87.00831	8.0
91.05472	4.1
93.07041	1.9
95.04975	100.0
96.05293	1.1
97.02895	8.7
97.06532	1.1
99.04472	10.4
104.10725	1.9
105.01858	4.7
105.07025	4.2
107.04921	1.5
107.08580	3.0
109.02885	10.3
109.06505	2.9
109.10150	3.0
115.03873	1.1
115.05464	1.1
119.04908	2.9
119.08559	4.5
120.08066	1.1
121.06474	1.7
121.10146	4.5
123.08055	2.8
123.88239	1.0
127.03922	13.7
129.10246	2.1
131.08583	1.2
133.06499	1.4
133.10126	1.5
133.50540	0.9
135.08075	2.0
135.11681	1.2
136.07570	3.1
137.06003	4.0
137.09593	2.9
141.06906	1.1
145.04942	3.6
145.10127	3.6
147.02904	1.0
147.04434	4.1
147.11681	5.7
149.09599	4.2
151.07535	3.6
153.09114	43.5
159.02919	4.1
159.11769	1.4
161.13260	3.8
163.03911	1.2
163.11139	3.7
165.12738	2.3
175.03952	1.2
179.83484	1.0
186.09125	0.9
189.04071	1.0
189.12778	4.5
195.10156	2.0
206.04344	1.6
207.06493	1.3
207.11394	1.0
207.12015	1.4
207.13812	10.6
208.06856	1.2
208.09619	1.7
209.10036	2.4
225.14868	37.1
231.04916	2.0
239.10324	1.4
265.11761	2.2
266.12225	2.4
473.21777	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	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.1
55.01873	8.2
55.05501	1.6
57.03438	4.9
58.79312	0.9
59.05017	0.9
61.02917	3.5
63.34880	0.9
65.03928	1.4
67.05503	5.4
68.99793	3.0
69.03436	26.9
69.07057	1.3
69.90929	2.1
69.91331	2.3
70.06605	6.0
71.04997	3.0
72.08151	3.4
72.76238	0.9
73.02926	6.1
79.05491	3.4
81.03421	25.9
81.07080	4.8
83.04997	6.9
83.08601	0.9
84.04497	2.1
84.08143	2.3
85.02910	46.9
86.09715	3.8
86.85768	0.8
87.00832	20.2
87.04476	2.2
91.03957	1.5
91.05491	2.5
93.07044	3.7
95.04972	100.0
95.08615	6.8
97.02897	22.2
98.21416	1.6
99.04458	11.8
105.01863	12.4
105.07028	6.4
107.04940	1.8
107.08572	1.6
109.02888	26.0
109.06525	7.4
109.10166	6.6
110.06028	1.2
110.07156	1.5
111.04503	1.1
113.06003	2.6
115.03934	11.1
116.07123	1.3
117.01871	3.4
119.04977	1.3
119.08576	4.3
121.06507	2.2
121.10128	1.8
123.04439	1.3
123.08091	5.4
124.07555	1.0
125.06002	1.5
127.03925	36.2
129.01849	2.6
131.08620	1.2
133.06564	1.8
133.10155	2.4
135.08110	0.9
136.07591	1.7
137.05965	7.1
137.09555	1.1
145.04970	13.2
147.02888	3.2
147.04398	2.3
147.08051	0.9
147.11647	2.2
149.09619	2.5
149.10677	1.6
150.11079	1.4
151.07550	20.3
151.11179	1.0
159.02905	14.4
161.06017	1.2
161.13234	3.0
163.11206	0.9
164.13091	5.2
165.11440	0.9
165.12747	2.8
169.08612	30.4
171.11641	2.4
175.07672	1.0
177.12793	1.0
178.05011	1.4
179.03413	11.1
189.12752	5.1
195.13826	1.2
197.11143	2.9
198.11400	3.1
206.04449	2.2
207.13799	23.1
209.15347	1.3
211.09729	1.7
219.13728	1.1
225.14857	52.1
231.05016	5.6
231.13867	1.6
232.04744	1.4
244.09576	0.9
311.15860	1.2
344.18250	2.4
399.12781	1.0
455.18979	4.1
472.31903	1.0
473.21161	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1294
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.83168	1.4
62.50293	1.3
69.03429	2.6
69.90268	7.9
70.06577	1.9
73.64549	1.3
85.02905	5.6
95.04977	7.4
97.02873	2.5
98.21444	1.9
109.02882	3.9
115.03905	1.8
120.66826	1.5
123.04430	7.6
127.03991	3.1
132.83681	1.5
133.02859	5.9
135.04343	1.7
138.04117	1.3
145.05090	1.5
151.03957	3.3
151.07581	2.5
159.02853	1.6
169.08653	2.7
178.05005	3.9
179.03412	100.0
180.03690	2.7
205.25960	1.5
206.04462	3.8
207.13786	2.9
217.33498	1.5
225.14806	4.7
248.30457	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	2.3
69.58683	4.6
69.59093	3.0
72.08144	1.8
83.55354	1.2
90.71287	1.0
91.05493	6.6
94.04201	1.6
95.04940	1.7
98.21442	1.6
98.97569	6.0
99.97935	1.2
101.00887	9.2
107.04958	2.7
114.04057	1.4
116.07079	1.3
116.98598	1.8
119.01931	30.7
119.04967	9.4
121.06472	1.8
123.04414	4.3
132.05093	6.1
132.08032	1.1
135.06793	7.0
137.02986	7.1
144.05058	2.0
147.04424	3.9
148.04506	1.0
150.09149	100.0
151.09465	1.9
161.01738	2.0
165.04100	2.3
165.05473	6.6
179.05516	2.1
181.03419	2.4
183.05086	1.5
190.07175	3.1
196.09671	17.6
197.06563	2.8
200.04051	1.1
203.05533	1.7
207.05096	1.2
208.08160	5.4
218.06619	3.1
219.01764	2.0
219.05023	3.6
221.06621	13.6
232.08162	3.4
234.06250	1.2
235.04584	1.4
236.07703	21.8
237.02856	2.8
237.06064	4.3
239.07704	6.8
243.66704	1.2
245.07791	1.5
247.04449	5.8
253.05638	2.8
254.08752	11.6
260.07678	2.2
265.05542	9.7
268.06793	2.0
272.09781	7.1
277.56769	1.4
278.08762	40.5
279.09045	2.1
283.06659	3.2
295.06949	1.7
296.09833	40.0
297.10043	2.8
298.22623	1.2
305.09906	1.6
306.10403	1.2
309.09174	2.1
311.73764	1.2
325.12308	1.2
336.11011	1.2
338.09351	7.4
349.14066	2.0
395.14383	6.3
400.12711	2.1
413.15594	25.3
414.15704	1.4
431.16669	61.8
432.16827	3.3
473.15195	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	472.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.5
55.05509	5.7
67.05493	3.2
69.07088	4.9
73.47866	2.5
79.05504	24.5
81.07053	29.1
91.05490	5.5
93.07055	7.3
95.04971	10.8
95.08612	13.7
105.03397	100.0
105.04539	4.9
105.06425	3.0
105.07021	15.3
106.37177	2.2
107.04957	6.9
107.08622	7.4
109.10149	8.1
117.57278	2.7
119.08572	11.4
120.95284	2.3
121.10130	13.9
123.11739	4.1
125.05944	2.3
131.08578	7.5
133.10167	8.5
134.98198	3.4
135.11708	3.5
139.07562	17.8
142.07855	2.3
143.08597	2.2
145.10158	9.4
147.11671	7.4
149.13329	3.5
151.07495	3.1
157.10080	3.3
159.11697	5.5
160.39459	2.4
161.09564	2.7
161.13280	3.7
171.11740	5.6
173.13304	8.3
175.14813	10.0
182.49898	2.6
185.13335	3.9
187.38669	2.7
199.14830	7.1
203.14342	13.3
203.18071	3.2
213.16324	3.2
233.15356	4.3
235.16814	15.5
255.21089	21.6
273.22150	2.5
283.20654	6.3
315.22949	3.2
412.32904	4.8
454.33908	6.0
469.90964	2.6
472.34570	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1293
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.02391	0.3
55.05496	0.3
57.03436	0.6
67.75915	0.3
69.03429	1.6
69.64220	1.9
70.06592	2.7
71.01339	0.3
72.08147	1.2
81.03431	1.8
84.04507	0.5
84.08138	1.1
85.02908	2.6
86.09696	1.0
87.00809	0.6
87.04465	0.8
91.05486	0.5
95.04967	1.6
97.02884	1.2
98.09713	0.4
99.04446	1.2
105.01872	0.6
105.03398	0.5
105.07050	0.6
106.02908	1.2
107.01315	1.0
107.08611	0.3
109.02892	1.8
109.06509	0.5
110.05992	0.4
115.03928	0.8
116.07123	0.3
119.04935	0.3
123.04419	0.6
124.03964	1.5
124.07529	0.3
126.05489	0.3
127.03912	1.2
133.02826	0.7
133.04967	0.8
137.05981	0.5
147.04378	1.3
147.11687	0.7
148.04758	0.3
149.09642	1.7
151.03915	2.3
161.02350	5.2
162.09128	0.3
169.08456	0.3
173.06042	0.4
179.03401	100.0
180.03716	1.3
189.12813	0.4
207.13770	1.4
208.09685	0.6
223.05634	0.3
223.53201	0.3
225.14827	1.2
228.13484	0.3
268.08179	1.3
293.15079	0.5
298.85669	0.3
311.16055	0.6
341.08856	0.5
473.13736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
55.05510	4.6
58.69395	1.7
63.65682	1.8
67.05508	5.8
69.07075	7.7
72.78922	2.0
79.05502	7.2
81.07067	21.3
83.08633	2.0
91.05489	4.8
93.07040	15.6
95.08612	15.9
97.06564	3.5
97.10181	2.5
99.04454	2.7
104.53997	1.9
105.07035	10.6
107.08617	12.1
109.06499	3.9
109.10154	18.8
119.08581	15.0
121.06500	2.7
121.10148	15.8
123.11710	5.6
125.06001	3.9
131.08588	5.5
133.10143	7.9
135.08005	4.3
135.11714	6.0
137.13307	2.4
139.07547	3.8
143.08603	3.7
145.10124	13.2
147.11705	6.9
149.09653	4.3
149.13277	2.4
153.09102	2.8
157.10147	3.8
159.08087	3.6
159.11725	6.8
161.09604	3.0
161.13339	4.0
167.10750	3.9
169.10173	3.2
171.11699	4.6
173.09692	4.1
173.13327	2.9
175.11235	5.6
175.14726	2.5
181.12315	2.0
183.11812	3.4
185.13245	5.1
187.11209	7.6
187.14879	5.5
189.16386	3.8
195.11714	2.1
197.13377	3.7
199.14897	5.1
205.15987	5.2
211.14848	3.5
215.14346	9.1
217.15936	5.6
223.17006	5.4
229.15878	86.3
231.17448	6.0
233.15338	15.4
243.17619	1.9
247.17018	15.8
257.19040	5.2
269.19223	2.5
283.20602	9.9
297.22134	3.4
435.32648	12.2
453.28723	1.8
453.33694	56.3
471.34732	100.0
472.35214	4.3
497.73685	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	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.7
57.07082	2.5
67.05515	11.2
69.03442	2.9
69.07078	9.3
70.06613	3.9
70.46313	8.3
78.11064	1.8
79.05499	8.1
81.03450	1.8
81.07065	18.4
82.62926	1.8
83.04959	2.1
83.08620	2.9
85.06522	2.0
91.05508	6.3
93.07067	14.5
95.04963	2.8
95.08620	11.8
97.06544	2.2
98.20798	2.5
100.07628	3.7
105.07045	17.2
107.08604	17.7
109.06554	3.3
109.10173	9.4
117.07063	4.9
119.08597	27.8
121.06470	3.4
121.10166	11.4
123.08092	3.3
123.11712	4.9
125.05981	3.5
125.09655	2.6
131.08585	8.7
133.10162	15.8
135.08044	2.5
135.11700	19.5
139.07582	4.2
143.08583	3.8
145.10129	13.7
147.11729	10.1
149.09628	2.4
149.13307	2.9
151.11131	3.4
155.08562	2.7
157.10143	4.7
159.11737	7.1
161.09631	2.4
161.13245	3.5
163.14775	3.9
171.11688	5.5
173.13252	11.9
175.14775	2.4
183.11627	2.6
185.13246	2.7
187.14870	3.6
189.16377	33.8
191.14360	3.3
197.13196	2.7
201.12703	17.4
207.17432	44.9
213.90321	2.0
215.14330	54.7
217.15900	6.2
219.13792	24.2
229.15840	3.6
233.15369	14.9
245.15382	4.2
269.19122	3.9
405.31781	2.2
423.32590	28.2
441.33694	100.0
442.34012	4.5
453.33545	5.9
471.34668	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	470.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31072	0.2
55.01883	0.2
55.05519	0.2
60.04505	0.2
60.39478	0.2
67.04258	0.9
67.05508	0.2
69.03426	0.8
69.07056	0.2
69.88063	0.3
69.88477	0.6
70.06593	1.3
71.04974	0.2
72.04523	0.3
72.08131	0.6
73.02927	0.4
80.05007	0.3
81.03409	0.7
81.07064	0.3
82.06583	19.0
83.04974	0.3
83.07365	0.5
84.04526	0.3
84.08160	0.8
84.08584	0.2
85.02914	0.6
86.06069	0.4
86.09699	0.5
90.05561	0.9
91.05476	0.4
95.04984	0.4
95.32435	0.2
97.02906	0.7
97.06505	0.2
98.02434	0.3
99.04461	0.3
100.07621	4.5
100.99989	0.2
104.21548	0.2
109.02864	0.6
110.07178	0.6
114.05536	0.2
116.03445	0.4
119.04919	0.2
120.08091	0.5
122.02699	0.3
123.04441	0.2
124.07598	0.7
127.03932	0.5
128.07083	100.0
129.07480	1.0
132.06610	0.2
136.07541	0.2
142.08632	0.4
145.05054	0.3
147.04401	1.5
159.07748	0.2
160.09810	0.2
166.08517	0.3
169.12212	0.2
177.05530	0.2
184.09746	0.5
202.10779	1.5
204.06541	1.0
207.79869	0.2
220.11845	0.6
222.07655	0.8
230.10226	0.2
262.12976	0.4
295.09540	0.3
308.14929	7.1
309.15277	0.2
324.15421	0.3
328.13977	1.0
364.16034	0.4
470.20505	0.9
482.55246	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	470.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58697	1.1
53.03945	2.6
54.80089	1.1
55.01873	5.3
55.05517	2.2
57.03438	2.8
57.07070	2.1
60.04521	1.4
61.02931	1.4
64.38952	1.5
67.05494	5.3
68.64838	1.1
69.03436	7.8
69.07059	4.3
70.02952	3.3
70.06591	11.4
70.35931	1.4
70.36271	4.2
71.04996	3.4
72.04520	13.8
72.08145	4.2
73.02934	6.7
74.02431	1.7
74.06071	3.0
81.03412	11.2
82.06581	21.1
83.04957	3.8
84.04530	3.3
84.08153	7.5
85.02918	9.7
85.06532	4.3
86.06069	2.6
86.09706	3.9
87.08145	2.5
90.05557	22.9
91.05485	1.8
93.07056	1.1
95.04976	7.0
96.08109	2.3
97.02898	9.9
98.02404	10.1
98.09687	1.6
99.04478	3.8
100.03996	4.1
100.07623	5.7
103.03947	1.8
103.07580	1.8
107.04972	2.0
109.02885	17.9
110.07132	3.0
112.07608	1.5
113.06001	4.5
114.05529	1.6
115.03912	1.4
116.03446	11.7
116.07112	1.7
119.04964	1.2
120.08131	6.5
123.04459	2.7
124.07615	13.4
127.03915	11.9
128.07085	100.0
130.04987	1.2
130.08649	1.5
132.06575	5.4
136.07564	1.3
138.05531	2.6
142.08630	9.4
145.04971	4.3
147.04427	7.6
155.07108	1.8
156.07693	1.9
159.07671	2.7
160.09763	4.2
163.03906	1.5
166.08653	7.8
172.09708	3.4
174.11293	3.4
177.05508	2.0
181.05032	1.6
183.06548	2.0
184.09680	21.3
198.07634	1.8
199.05946	1.7
202.10753	55.1
204.06551	3.9
204.10426	1.4
208.09726	1.2
211.09665	6.4
216.08748	3.7
217.07031	2.1
220.11819	14.7
222.07558	2.7
230.10249	7.8
234.09602	6.5
236.70258	1.2
262.12857	10.8
287.11319	1.8
292.29306	1.2
308.15002	9.2
310.12881	5.0
324.15546	2.0
328.13895	34.1
346.15109	7.3
364.15973	14.9
371.75421	1.2
438.97235	1.3
452.21317	2.3
470.19571	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	469.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.9
57.03459	2.3
57.07080	100.0
58.04227	3.8
59.05007	26.3
59.60077	1.3
67.05493	5.2
69.07062	5.2
70.51450	3.6
71.08635	79.0
72.05791	3.8
73.02905	2.3
73.06554	3.3
81.07051	4.7
83.08607	4.2
85.10189	68.1
87.04475	5.9
89.06036	11.1
90.01929	22.0
93.07065	1.8
93.96081	1.5
95.08609	3.8
96.09434	1.8
97.10162	3.7
98.20862	1.6
98.21413	2.1
99.11745	11.8
103.07585	4.7
105.07011	3.2
107.07013	1.6
109.10196	3.2
113.13294	4.4
117.09113	3.9
119.08617	1.5
121.10150	1.6
125.13212	1.6
133.08614	2.7
152.15575	2.5
155.17966	8.6
178.07104	2.6
183.17491	3.4
189.16402	1.8
199.20596	2.4
213.22108	8.7
222.09785	5.8
230.01736	1.6
240.10777	5.4
257.24695	1.9
272.99997	1.6
283.17337	1.8
358.81607	1.7
427.33307	1.6
469.33340	5.2
474.45392	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.7
55.01869	20.6
55.05516	27.0
57.03438	12.4
57.07059	7.7
61.02921	14.6
65.03954	5.9
67.05508	34.9
68.99789	17.3
69.03432	47.0
69.07076	36.1
70.75922	15.9
71.05007	30.6
79.05506	35.9
80.99782	4.8
81.03426	45.9
81.06586	6.6
81.07057	100.0
83.04977	12.9
83.08619	14.6
85.02909	65.8
85.06541	7.1
87.00832	28.6
87.04480	6.4
91.05486	33.0
91.29298	5.3
93.07051	63.9
95.04980	25.4
95.08616	84.0
97.02906	44.3
97.06536	13.8
97.10159	11.8
99.04458	11.6
99.08065	7.0
103.03922	6.4
105.01851	11.7
105.07040	76.9
107.04954	13.1
107.08600	75.1
109.02902	28.7
109.06516	16.2
109.10169	73.6
111.04448	14.9
111.08053	10.8
113.09706	6.3
114.95752	5.0
115.03944	18.2
115.05458	5.2
117.07027	17.4
119.08584	81.1
121.06501	13.3
121.10138	65.2
123.04434	15.7
123.08094	14.0
123.11710	33.2
125.09669	10.7
127.03938	29.3
127.11184	27.3
129.01823	13.4
129.06963	13.0
131.08585	25.2
132.88136	5.1
133.06476	7.5
133.10114	41.8
135.08063	9.2
135.11702	41.2
137.05989	11.6
137.09650	18.1
137.13293	8.1
142.07765	8.2
143.08574	29.6
145.04924	8.0
145.06557	5.6
145.10118	38.0
147.08031	13.7
147.11702	52.5
149.09598	6.5
149.13222	24.6
151.11203	9.1
153.12790	9.9
155.08537	15.3
157.10135	31.8
159.08093	7.2
159.11693	47.9
161.09607	10.6
161.13255	22.7
163.11169	9.5
163.14806	6.2
165.09064	6.5
169.10089	7.2
171.11726	23.4
173.09604	12.5
173.13274	19.6
175.11223	15.1
175.14873	14.2
177.12685	10.4
177.16389	6.4
177.64726	5.1
183.11661	10.7
185.13248	7.8
187.14897	14.1
189.04056	6.5
189.09091	9.6
189.12737	8.0
189.16383	14.0
191.14297	6.8
192.09424	5.6
195.11731	8.0
197.13255	8.1
199.14867	9.0
201.12779	7.6
201.16386	17.9
203.14348	7.3
203.17931	23.1
213.16475	10.8
215.14375	7.5
219.17476	8.8
221.19005	15.4
223.14734	10.0
225.12788	12.5
227.18068	7.5
231.17503	9.0
233.19016	10.6
243.13945	10.7
243.17598	9.8
245.19037	16.2
255.17474	5.3
257.19266	6.2
263.20160	12.9
269.19058	12.9
283.20554	5.7
287.20215	7.2
293.19220	6.5
296.27557	5.1
311.20068	25.4
329.21130	15.4
347.22241	7.8
433.22000	14.4
451.23047	17.7
459.26517	5.2
469.24286	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	17.5
54.43574	5.3
55.01883	11.6
55.05517	30.5
55.45091	4.8
57.03435	13.9
57.07071	8.9
57.62073	4.0
59.04992	4.2
61.02931	11.0
62.32759	5.2
65.03922	5.8
67.05515	53.3
68.99792	10.8
69.03434	61.6
69.07077	41.8
70.06589	8.9
70.59550	10.2
71.05002	33.0
71.60509	4.5
72.08145	17.5
73.02921	8.3
79.05504	35.4
79.60983	4.9
81.03423	49.5
81.07063	100.0
83.04984	16.3
83.08620	14.1
85.02917	64.7
85.06554	9.1
86.09742	4.6
87.00850	24.7
87.04464	4.8
91.05495	53.9
93.07056	74.4
95.04979	40.2
95.08049	7.7
95.08617	94.3
97.02898	62.5
97.06519	24.0
97.10167	17.6
99.04466	15.1
99.08083	7.0
103.03951	5.4
103.05447	5.4
105.01888	9.4
105.06396	6.9
105.07043	90.0
107.04956	7.3
107.08605	70.7
109.02886	24.4
109.06517	23.2
109.10170	68.1
111.04458	8.3
111.08093	15.5
115.03944	16.6
115.05412	5.6
117.07021	25.2
119.08585	77.2
121.06487	22.0
121.10148	55.2
123.04426	13.1
123.08085	15.3
123.11718	35.4
125.05936	8.5
125.09631	19.0
127.03923	30.7
127.11172	22.1
128.06203	6.9
128.92783	5.2
129.01851	14.7
129.07013	14.8
131.08568	37.3
133.10139	55.0
135.08035	14.5
135.11693	39.3
137.05975	13.7
137.09612	18.5
137.13269	8.6
141.07034	8.8
142.07747	10.1
143.08592	25.6
145.04933	7.1
145.10129	48.9
147.08000	10.6
147.11688	40.6
149.09622	19.2
149.13240	14.9
151.07564	7.4
151.11208	11.3
153.05544	11.7
153.12729	6.8
155.08585	16.1
156.09357	5.4
157.10144	27.7
159.02921	13.3
159.08046	7.5
159.11696	44.5
161.09654	16.8
161.13303	24.3
163.11200	10.1
163.14902	6.9
165.07082	6.1
165.09114	17.1
165.12823	11.2
169.10146	11.5
171.08014	9.3
171.11691	23.0
173.09676	6.9
173.13292	22.1
175.11206	12.8
175.14857	11.6
177.12802	10.2
182.10968	5.1
183.11713	13.5
185.09700	6.5
185.13226	12.6
187.11174	8.5
187.14879	16.0
189.12755	4.9
189.16393	20.6
191.14397	5.5
197.13240	11.9
199.14848	13.8
201.03941	5.0
201.12799	15.2
201.16403	20.5
203.10748	5.0
203.14357	6.1
203.17995	16.4
205.12401	5.2
215.14349	9.6
215.17941	6.8
219.17508	7.9
221.18848	8.1
225.12747	7.1
227.17905	10.3
243.13847	9.0
245.18883	11.2
257.19016	6.7
261.18799	5.6
263.20233	7.4
301.21579	7.0
311.20065	15.7
329.21075	10.8
351.15393	5.1
402.72211	4.9
423.18051	10.5
433.22031	10.6
451.17331	5.4
451.23145	13.7
451.32257	7.8
452.18161	7.1
469.20392	27.0
469.32922	11.2
470.19086	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	469.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01865	9.1
55.05514	16.0
57.03420	3.3
57.07075	3.5
59.05003	3.0
61.02909	4.6
67.05510	25.1
68.99816	2.8
69.03438	32.1
69.07076	17.8
69.57378	5.1
69.57785	13.2
70.06589	4.2
71.04989	7.9
72.08154	8.9
73.02908	3.3
79.05500	25.4
81.03420	25.5
81.07057	40.6
82.07375	4.3
83.04984	10.5
83.08620	5.9
84.08110	2.9
85.02908	37.4
86.09699	7.1
87.00835	10.8
91.05478	24.1
93.07054	39.1
95.04963	13.0
95.08611	38.3
97.02894	34.6
97.06548	8.8
97.10172	6.8
99.04451	11.0
99.08086	4.1
105.01857	9.2
105.07039	65.5
107.04940	3.1
107.08601	32.5
109.02899	15.8
109.06513	8.4
109.10166	30.1
111.04436	9.2
111.08074	4.8
115.03905	4.0
115.05421	4.2
117.07013	6.2
119.05019	3.3
119.08593	41.4
119.39629	2.5
121.06503	4.4
121.10165	20.8
123.04381	2.9
123.08067	8.5
123.11707	8.8
125.09628	5.0
127.03925	21.0
129.07025	7.1
131.08574	18.1
133.06506	3.5
133.10124	30.4
135.08051	6.3
135.11734	15.5
137.05981	4.8
137.09602	7.6
137.13235	2.4
143.08551	8.5
145.05028	8.3
145.10132	27.1
146.12915	4.0
147.07893	3.0
147.11691	100.0
149.05928	2.7
149.09662	6.6
149.13268	43.8
151.07578	3.3
151.11201	2.9
153.05502	3.0
155.08533	5.0
157.10153	9.0
159.02910	4.7
159.11743	15.9
161.09604	5.0
161.13263	25.4
163.11177	7.4
163.15009	2.8
165.09135	7.3
171.11671	9.1
173.13281	9.5
175.11229	4.1
175.14885	9.7
181.08678	4.3
181.10135	3.6
183.11624	2.8
185.13293	6.0
187.11227	2.9
187.14822	5.2
191.14320	3.2
197.13223	4.5
199.14769	5.3
201.16402	7.1
203.14249	2.9
203.17964	49.0
205.12227	3.4
205.19522	11.7
213.16463	4.1
215.14214	3.3
217.12616	3.1
217.15948	4.2
217.23140	2.6
219.17499	3.4
221.18958	4.4
223.14806	3.9
231.04938	3.9
233.06372	3.2
241.15927	5.0
259.17072	3.2
289.17789	4.5
303.11041	3.5
311.19839	3.1
329.21207	4.2
386.16251	2.9
415.21149	3.3
423.18127	5.5
433.22357	2.7
451.32193	3.5
469.18054	3.2
469.33408	6.5
492.61890	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.9
55.01856	1.5
55.05500	2.7
57.03443	3.8
59.04989	0.8
64.84830	0.7
67.05510	1.3
69.03435	11.7
69.07059	1.9
69.50971	5.5
70.06589	3.5
71.04994	6.5
72.08146	3.2
73.02921	1.0
79.05484	2.0
81.03423	25.3
81.07069	4.9
83.04974	3.8
83.08608	1.2
84.04505	1.1
84.08139	1.7
85.02903	4.9
86.09692	1.4
89.38618	0.7
91.05477	2.5
93.07048	1.1
95.04964	1.4
95.08587	2.3
97.02879	3.1
97.06515	0.8
98.09685	3.0
98.20748	1.4
99.04456	12.2
99.08090	1.7
100.07602	1.4
100.11228	4.1
103.03931	2.2
105.07047	2.2
107.08579	1.9
109.02883	10.7
110.07152	1.2
111.04449	2.2
116.10727	1.1
117.05488	2.2
118.06545	3.9
118.86856	0.8
119.08566	1.7
120.08163	0.9
121.10193	1.0
123.08025	0.9
126.09105	0.9
127.03894	4.6
131.08521	1.1
131.38245	0.9
134.97699	0.7
136.07539	1.0
137.06003	1.6
138.09195	0.8
145.07664	4.3
145.10127	1.2
147.04442	1.2
147.08110	1.2
147.09189	9.5
147.11632	1.1
163.03845	0.9
167.45726	0.8
173.07101	11.3
175.08679	10.7
182.15466	4.1
191.08163	100.0
192.08578	1.1
198.14864	3.9
203.08226	0.9
210.14859	3.6
225.15997	0.8
226.14352	3.2
227.17767	1.2
231.11382	1.1
233.09254	1.3
271.10757	3.1
276.14828	0.8
289.11871	8.3
305.05511	1.1
306.05783	0.9
307.12878	32.8
325.13950	29.5
331.12903	7.9
337.21140	2.7
342.27802	1.0
349.13980	7.3
354.23871	2.3
371.15930	1.5
389.17023	3.5
397.13989	4.8
415.15015	11.2
433.16171	10.0
451.17230	10.2
451.32556	0.9
452.31183	2.6
469.33713	3.1
470.56039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98466	0.3
55.01874	1.3
57.03435	0.3
61.72661	0.3
67.05505	0.5
67.23083	0.4
69.03445	2.1
69.07061	0.4
70.06588	2.0
70.08416	0.8
71.04989	0.4
72.08155	2.2
79.05495	0.5
81.03424	0.9
84.04478	0.5
84.08149	0.7
85.02914	2.2
86.09685	0.5
91.05477	0.5
93.07033	0.7
94.06557	0.4
95.08556	0.4
97.02882	1.1
98.06068	0.6
99.04453	0.3
101.42829	0.3
107.08617	0.6
108.04488	0.6
109.02877	1.3
110.06023	0.4
116.07099	0.4
118.06553	0.3
120.08112	0.5
122.06032	1.4
124.07578	0.4
127.03930	1.4
128.07133	0.4
135.08075	1.9
136.07559	0.4
138.05510	0.6
139.03920	0.5
140.07048	2.0
145.04944	0.5
146.06029	0.6
147.04482	0.4
148.07579	0.4
149.09608	0.3
152.07092	0.4
156.08043	0.3
160.07576	0.9
162.02560	0.3
163.03917	0.4
163.08699	0.7
164.07045	0.9
168.06534	1.8
171.28459	0.3
174.09169	1.4
176.07146	0.4
176.10709	0.4
177.10184	1.0
178.08644	13.9
182.08090	0.7
184.07576	0.8
187.08806	0.5
188.07115	2.1
191.08144	0.5
191.11807	0.4
198.09178	0.7
200.10767	0.4
201.06497	0.4
201.10269	1.9
202.08620	4.2
204.10262	0.3
205.09798	2.7
206.08153	3.0
212.07173	0.4
216.10255	1.4
219.07745	0.8
219.11284	3.9
220.09718	1.3
225.10175	0.4
226.08624	1.1
229.09750	3.4
230.08171	3.2
243.11394	1.1
244.09790	2.5
244.11945	0.4
247.10817	11.6
248.09100	0.6
254.08218	0.6
255.30707	0.3
261.12387	1.1
262.10712	1.1
265.11838	11.0
271.10904	1.6
272.09167	1.3
287.13943	0.4
289.11829	13.8
289.14703	0.7
290.10129	0.8
305.14954	0.4
307.12897	100.0
308.13187	1.4
409.16068	1.4
445.49020	0.3
451.17053	6.5
451.23141	0.4
469.18143	3.1
469.32764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12791	0.3
53.03910	0.4
54.67799	0.3
55.01889	0.4
56.75981	0.3
57.03429	0.3
58.06626	0.3
67.05499	1.0
69.03432	0.8
69.90063	1.5
70.06599	2.4
72.08151	1.6
73.02911	1.3
74.06055	0.4
79.13312	0.3
81.03410	0.5
81.07065	0.6
83.04973	0.4
84.08132	1.0
85.02907	1.2
85.06536	0.5
86.09692	0.5
91.05461	0.8
93.07048	0.5
95.04965	1.7
97.02884	0.7
98.09675	0.6
98.20900	0.5
99.04401	0.5
100.11339	0.3
102.05594	0.4
105.07030	0.5
106.09668	0.4
107.04972	0.4
107.08598	0.4
109.02905	0.8
110.07179	0.5
111.04503	0.5
119.04971	0.4
120.08123	3.3
121.10174	0.5
122.06001	0.5
123.04445	1.6
124.07568	0.4
127.03853	0.5
129.10216	0.4
130.06520	1.3
136.07587	3.3
137.06012	0.7
140.04683	0.4
147.04416	1.6
151.03967	0.7
155.03197	0.4
155.07010	0.5
157.07668	0.8
158.06046	0.5
161.02890	0.4
163.03896	0.5
164.07074	3.2
167.07039	0.5
173.04288	0.8
175.03708	0.7
175.08740	0.8
177.05537	0.4
177.10214	0.5
181.04919	0.5
183.06526	1.3
185.04265	0.9
191.08202	0.7
203.08360	0.5
221.09311	0.9
225.07593	0.6
229.06876	1.6
294.09637	0.8
299.63043	0.4
304.12857	0.7
307.12912	0.7
312.10980	1.1
317.08453	14.3
337.08878	1.4
350.14975	0.6
437.10193	0.5
451.32706	0.7
469.13193	100.0
470.13522	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	467.3736
Annotation	6alpha-Hydroxy-castasterone
Peak:m/z	Relative Intensity
54.61326	2.3
55.01854	5.1
55.05518	31.1
57.03420	6.3
57.06832	3.3
57.07086	52.9
60.77992	3.7
67.05514	55.1
69.03421	5.6
69.07077	47.7
71.04990	3.5
71.08636	40.7
71.16193	4.2
76.32752	2.9
79.05480	8.6
81.07066	27.4
83.01335	6.1
83.04982	8.5
83.08629	36.8
85.06532	3.9
85.10199	22.6
89.06024	3.2
91.05476	8.0
93.07040	10.2
95.08118	2.9
95.08627	28.4
97.06520	11.1
97.10184	21.6
99.11713	3.7
105.07037	4.9
107.08603	7.5
109.06570	4.0
109.10168	44.0
111.04448	15.8
111.08144	2.9
111.11740	17.1
119.04975	3.2
119.08592	5.3
120.05885	2.5
121.06535	5.7
121.10111	5.0
123.08101	4.2
123.11675	9.0
125.05968	13.0
125.13329	6.0
133.06432	3.6
133.08684	3.3
133.10136	7.4
135.04416	15.6
135.11737	4.2
137.05991	7.9
139.02803	4.0
139.03912	64.9
139.07553	37.0
147.11707	5.4
151.07545	7.3
153.04314	5.4
153.05481	67.8
155.07031	11.0
165.05467	14.4
167.07045	40.3
171.06538	100.0
173.11731	11.7
179.10664	8.6
183.06535	3.7
189.12744	4.4
191.10530	3.2
193.12253	4.5
204.59241	2.8
209.11722	4.8
217.12462	2.9
239.23656	3.8
283.17725	2.6
379.23355	3.0
403.35709	8.4
405.33191	4.5
413.34180	9.8
431.35208	53.0
449.36182	21.9
467.31302	4.1
467.37372	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.05512	3.1
56.52078	1.2
57.07082	97.8
59.05006	36.4
67.05505	3.0
69.07069	5.4
69.85418	6.5
71.08639	100.0
78.43903	1.2
81.07049	3.0
83.07311	1.2
83.08631	3.9
85.10193	95.2
86.10536	1.4
87.04477	2.4
89.06043	66.3
95.08614	3.4
97.10179	4.5
98.98432	1.5
99.11732	11.0
101.09643	2.2
107.07089	3.4
109.10204	1.9
111.11765	1.3
117.09148	9.1
119.08580	1.5
121.67092	1.2
133.08623	31.2
141.16394	13.9
147.10179	3.7
151.09634	1.9
155.01180	1.6
177.11243	20.9
195.12309	15.5
199.20605	22.3
235.15398	3.6
240.23308	1.4
253.16608	7.1
257.24783	12.2
283.17569	18.1
293.19626	1.9
310.86621	1.2
311.25836	2.4
314.27948	2.0
451.36218	3.8
468.38287	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3746
Annotation	6alpha-Hydroxy-castasterone
Peak:m/z	Relative Intensity
53.03945	3.6
55.01868	3.5
55.05264	2.1
55.05513	31.3
57.03432	3.0
57.07081	20.1
59.76907	1.4
64.04023	1.6
65.03943	1.7
67.05509	31.2
69.03440	1.7
69.07071	54.9
71.04950	1.6
71.08629	11.4
71.56351	2.5
79.05500	8.0
81.07059	47.9
83.08144	2.1
83.08624	32.3
85.06538	4.1
85.10202	6.3
85.27004	1.3
91.05496	12.2
93.07046	19.8
95.04974	11.2
95.08611	38.3
96.71563	1.5
97.06515	5.9
97.10178	19.8
98.98486	8.6
105.04537	1.6
105.07031	4.8
107.04944	2.6
107.08591	9.4
109.06545	8.8
109.10162	26.2
111.08057	3.1
111.11725	11.0
119.04930	7.6
119.08579	4.5
121.06511	51.7
121.10157	5.0
123.04409	6.6
123.08088	13.9
123.11700	10.1
125.06037	3.8
125.13283	5.0
131.08592	1.9
133.10162	2.9
135.08101	3.2
135.11694	4.7
137.05978	35.1
137.09656	2.0
137.13280	6.0
139.07555	15.6
141.05481	2.3
145.10153	2.6
147.11670	1.8
149.05984	3.7
149.09621	2.5
149.13202	2.0
151.07593	6.4
151.11223	1.6
151.14789	1.7
155.01059	7.0
155.07040	70.6
157.10139	2.1
159.11736	2.4
161.13298	2.9
163.11192	2.0
163.14784	1.4
165.12729	2.8
167.07045	46.4
169.08554	2.2
171.11697	1.7
173.09718	1.4
173.13292	2.5
175.11261	2.5
175.47362	1.3
177.12776	1.8
183.99277	1.4
189.12663	2.0
191.10587	1.3
191.14308	2.4
261.05008	1.4
311.25992	2.4
313.27063	14.2
385.34415	2.0
403.35730	4.0
413.34152	5.1
421.36996	6.4
431.35260	15.1
449.26831	1.5
449.36298	22.3
467.37350	100.0
468.37881	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	467.3731
Annotation	6alpha-Hydroxy-castasterone
Peak:m/z	Relative Intensity
53.03945	2.6
55.01877	2.8
55.05515	33.7
57.03433	2.9
57.07079	31.6
58.18183	1.0
59.05003	1.4
63.97190	1.2
65.03942	2.7
67.05508	42.1
69.03420	2.8
69.07072	61.5
71.05028	1.4
71.08640	18.2
79.05505	8.0
81.06579	2.9
81.07059	47.9
83.08620	35.6
85.06542	3.7
85.10186	9.5
91.05479	10.6
93.07043	17.7
95.04964	10.3
95.08614	50.6
97.06533	8.8
97.10176	26.1
98.20726	3.5
98.98471	7.9
105.07040	5.5
107.05004	1.6
107.08576	8.8
109.06528	8.6
109.10158	35.0
111.08078	2.7
111.11719	17.2
112.40536	1.2
113.06004	2.4
119.04966	11.6
119.08581	7.1
120.72225	1.4
121.06514	44.6
121.10154	6.2
123.04426	19.8
123.08080	11.5
123.11718	15.8
125.13285	5.8
131.08571	2.7
133.10153	3.4
135.08057	2.7
135.11674	2.9
137.05984	45.1
137.09619	2.8
137.13275	5.4
139.07527	6.9
143.08476	1.7
145.10132	2.7
147.11690	2.1
149.05936	1.5
149.09637	1.4
151.07561	5.2
151.14824	3.6
155.01065	7.0
155.07039	100.0
159.11734	2.4
161.09618	1.9
161.13263	3.2
163.11241	2.4
165.09068	1.6
165.12796	2.7
167.07043	34.1
169.08638	1.5
171.11636	1.8
173.11757	4.6
173.13289	3.4
175.11269	2.0
181.08614	1.4
191.10776	1.6
191.14357	1.3
193.12270	2.0
229.20013	1.7
239.23615	1.6
283.29944	2.0
313.27335	16.6
338.12619	1.4
349.27533	1.9
385.34756	2.9
387.32175	2.5
405.33633	2.7
413.34253	6.9
431.35294	17.8
445.40320	1.3
449.26865	1.7
449.36368	18.4
467.37329	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80153	1.1
55.01867	1.6
55.05514	7.3
57.03438	8.6
57.07081	32.4
66.51759	1.0
67.05503	13.5
68.80209	1.2
69.07072	11.5
69.92368	6.0
71.08640	24.5
79.05494	2.5
81.07065	15.1
81.73978	1.0
83.08632	9.4
85.10191	12.2
91.05465	1.8
93.07040	3.1
95.08055	1.8
95.08615	19.8
97.10168	4.7
98.98474	45.5
100.40781	1.1
105.07000	1.6
107.08602	3.0
107.87333	1.2
109.10155	11.0
119.08582	1.5
121.10133	1.7
123.11703	3.0
125.02342	3.7
133.10165	1.7
135.98520	1.1
136.99997	4.8
137.13324	1.2
155.01059	56.0
155.59756	1.3
157.10022	1.8
167.07152	1.6
215.76759	1.4
239.23743	3.1
257.24768	1.9
313.27390	100.0
348.90057	1.2
393.24057	3.1
449.26587	15.1
467.37265	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	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.05269	0.8
55.05515	10.6
57.03432	1.6
57.07079	36.9
59.05008	3.9
65.03934	3.3
67.05508	100.0
69.06774	0.9
69.07074	9.7
69.07969	0.7
71.02306	0.7
71.02632	1.8
71.04980	3.6
71.08235	1.1
71.08634	27.2
79.05495	3.3
81.07060	29.1
83.08618	16.2
85.06535	2.8
85.10188	16.1
91.05478	5.8
93.07041	3.6
95.08611	26.1
95.09225	1.0
97.10178	6.4
97.98803	0.8
105.07019	1.3
107.08601	2.5
109.10161	81.0
111.08108	2.1
111.11714	1.4
117.07023	0.8
119.08601	4.9
121.06409	0.7
123.11700	5.4
125.13228	0.9
137.09627	3.5
137.13254	2.6
155.10684	3.3
173.11754	26.1
239.23692	9.4
389.34732	0.8
467.37396	90.3
468.37671	2.3
487.17883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.7
55.01857	6.0
55.05501	6.0
57.03426	4.6
57.07068	1.5
58.99561	2.3
61.02911	5.1
64.59416	1.3
66.71698	1.3
67.05518	10.0
68.99797	2.4
69.03423	25.0
69.07063	6.5
70.06582	7.1
71.04981	5.4
71.55309	2.1
72.08146	3.8
73.02914	4.4
76.02217	1.8
79.05480	6.0
79.52310	1.2
81.03423	25.7
81.07061	16.8
81.83302	1.6
83.04939	1.9
83.08589	2.4
84.04528	1.8
84.08146	2.3
85.02904	46.0
85.06534	2.1
86.09679	3.0
87.00822	16.4
91.05482	12.7
93.07047	13.0
94.06538	1.5
95.04955	5.2
95.08609	16.8
96.08109	2.0
96.83893	1.6
97.02888	18.4
97.06515	3.2
99.04446	10.1
101.01513	1.4
105.01890	10.2
105.07031	22.1
107.08585	15.0
109.02892	20.7
109.06490	3.2
109.10162	11.5
115.05444	3.0
116.01651	3.0
116.07066	2.1
117.01894	2.2
117.07016	11.2
119.04955	1.7
119.08584	26.0
120.08138	2.8
121.10130	10.3
122.05997	1.8
123.04427	5.3
123.08052	2.2
123.11700	3.3
124.07575	4.7
126.05498	1.7
126.09143	3.8
127.03918	34.1
128.06248	4.5
129.01822	4.0
129.07045	2.9
129.33279	1.5
130.07808	3.7
131.08568	20.5
133.10123	12.2
135.08113	2.1
135.11699	3.7
136.07556	5.8
137.06026	3.5
141.06976	3.1
142.07762	2.9
143.08540	11.4
144.09344	3.0
145.04973	13.0
145.10120	39.1
147.04424	3.0
147.11662	10.6
149.05907	1.6
149.09663	2.8
153.01794	8.4
155.08598	1.8
157.10138	8.7
158.10895	2.3
159.02913	13.3
159.08060	2.5
159.11699	44.5
161.13284	10.7
162.02138	3.1
162.05466	2.1
164.07074	5.3
171.08034	5.8
171.11661	4.4
173.09554	1.8
173.13264	7.7
174.06807	3.6
175.07562	5.9
175.14859	1.7
177.05411	2.5
179.14308	3.0
186.13972	2.1
187.07599	2.1
188.08232	2.7
189.09013	3.7
199.14824	3.9
201.16383	100.0
203.10669	22.5
203.17955	26.1
213.03978	1.6
219.10149	9.8
219.17488	7.7
231.05014	4.9
269.09134	4.2
271.18954	2.7
287.10406	3.7
287.13754	2.2
303.05005	4.1
304.05365	4.4
305.05542	8.7
305.11365	3.7
305.14914	2.7
331.04617	2.2
382.92068	1.7
449.21985	2.5
467.15472	6.5
467.22009	2.9
467.31442	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96788	2.5
53.03955	12.4
55.01874	15.5
55.05511	14.1
55.52038	2.4
57.03431	10.3
57.07071	3.1
61.02921	11.9
67.05508	22.0
68.99793	6.1
69.03079	3.8
69.03432	56.2
69.07079	17.8
69.63393	4.1
69.63802	12.8
70.06616	5.4
71.04235	2.3
71.04989	11.2
72.08157	7.4
73.02931	12.3
79.05494	20.5
81.03422	59.1
81.07061	42.8
83.01363	2.8
83.04965	7.2
83.08610	5.3
84.08148	4.1
85.02911	82.4
85.06588	3.3
86.09699	4.7
87.00829	36.2
87.04473	4.6
91.05487	22.2
93.07048	31.2
95.04983	12.9
95.08614	34.7
97.02899	46.1
97.06545	11.8
97.10164	6.1
99.04453	21.1
103.03959	4.4
105.01868	26.7
105.03387	8.1
105.07042	51.6
107.04987	4.0
107.08602	35.9
109.02886	51.5
109.06508	8.7
109.10157	26.2
111.04465	3.5
111.08099	5.4
117.01861	4.0
117.07022	15.0
119.04924	2.3
119.08591	34.1
121.06507	5.6
121.10137	23.8
121.67729	2.6
122.06031	2.5
123.04407	6.1
123.08093	6.2
123.11700	9.5
125.09602	5.0
127.03928	71.9
127.11176	2.9
128.06245	5.3
129.01828	8.3
129.06998	9.7
130.07838	2.4
131.08577	30.0
133.10150	21.0
135.11681	25.1
135.94223	3.3
136.07619	7.6
137.06000	6.0
137.09604	5.9
137.13303	2.7
141.06932	4.1
142.07764	5.6
143.08540	10.7
144.09366	5.0
145.04973	25.5
145.06104	4.4
145.10138	42.5
147.02893	4.0
147.04367	2.9
147.08052	7.2
147.11665	17.0
149.05945	3.9
149.09599	8.0
149.13232	5.0
151.07486	3.7
152.07164	3.9
153.05472	5.6
157.04951	2.5
157.10144	13.9
159.02913	26.6
159.08070	3.9
159.10445	5.4
159.11711	72.3
161.09610	5.5
161.13249	23.7
163.11182	11.5
164.07060	6.6
165.09088	2.7
169.10080	4.7
171.08060	4.4
171.11688	6.5
173.09654	3.2
173.13269	15.7
175.14822	4.0
183.11749	3.9
185.13315	5.3
187.11208	4.5
187.14828	3.6
189.09117	3.2
189.12701	3.0
189.16386	6.0
191.14221	3.8
191.17955	10.9
195.11682	2.9
197.13304	5.0
199.11218	3.0
199.14841	13.3
201.16402	100.0
201.18263	5.8
203.18007	14.6
208.20033	2.7
213.03963	3.2
217.15932	5.1
219.17468	38.3
229.15878	2.8
231.05009	10.8
235.20757	2.5
243.17450	4.2
287.20102	4.0
309.18686	3.5
449.21228	4.1
467.22418	10.3
467.31601	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	467.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.4
55.01880	7.3
55.05497	5.5
57.03434	6.9
57.07080	1.6
61.02910	5.7
65.03931	1.9
67.05508	11.3
68.99791	4.1
69.03429	36.5
69.07066	8.2
70.06593	1.7
71.04987	5.6
72.08142	2.9
73.02915	6.5
79.05490	7.7
81.03419	40.7
81.07055	26.7
83.04990	3.9
83.08614	2.5
85.02905	51.1
85.06522	1.7
87.00828	18.2
87.04462	1.9
87.31694	1.1
91.03954	3.3
91.05479	11.0
93.07038	13.7
95.04948	5.2
95.08604	16.2
97.02890	26.9
97.06525	4.4
97.10164	2.3
99.04465	14.1
103.05459	1.5
105.01864	15.3
105.03380	2.5
105.07028	34.8
107.04967	2.7
107.08606	15.7
109.02876	36.3
109.06506	3.7
109.10172	12.7
111.04426	1.6
111.08062	1.7
112.84591	1.3
115.03912	1.6
117.01837	4.4
117.07047	6.5
119.08588	19.1
121.06512	1.6
121.10166	7.6
123.04440	1.4
123.11717	3.5
125.09621	1.5
127.03915	50.4
128.06145	1.4
129.01865	3.2
129.06984	4.1
130.07788	2.1
131.04889	1.8
131.08575	23.0
133.10159	10.1
135.08044	2.5
135.11684	4.4
137.06012	1.2
142.07719	2.9
143.08565	6.6
144.09348	6.1
145.04955	14.6
145.06094	1.6
145.06517	1.4
145.10133	27.0
147.02869	3.4
147.04344	2.2
147.07959	2.0
147.11679	11.8
149.09621	2.3
149.13301	1.8
151.11108	1.6
153.01707	1.3
153.05470	4.9
157.10144	11.4
159.02896	23.3
159.11691	72.8
161.13252	33.2
163.03900	1.4
163.11201	2.5
164.07068	1.4
169.10185	2.3
171.07997	1.4
171.11673	3.7
173.13264	11.9
183.11632	1.4
185.13329	2.6
187.14851	1.3
189.03905	1.6
189.09062	2.3
197.13136	2.3
199.14801	7.1
201.16380	100.0
202.16675	1.7
203.17950	13.1
204.18282	1.6
205.08585	3.2
213.03841	2.7
213.16386	2.3
215.14330	1.6
219.17410	23.6
231.04942	7.5
249.11137	2.9
251.73575	1.3
269.94489	1.2
429.78909	1.3
449.30347	1.6
467.22379	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	466.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.2
57.03419	2.5
57.07083	100.0
59.05005	63.2
67.05505	13.6
69.07058	10.7
71.08639	81.7
71.30519	3.9
81.07076	5.1
83.08605	5.6
85.06557	3.4
85.10186	68.5
95.08593	4.4
97.10162	4.1
99.11729	11.9
101.06055	3.5
101.09666	4.1
103.07634	6.4
103.24029	2.9
105.55746	2.8
109.10129	10.8
113.13292	4.0
117.09166	15.7
133.08562	3.5
155.17924	9.0
161.11789	3.7
170.98546	2.8
173.11694	4.3
213.22127	13.4
221.53101	3.0
271.26462	15.7
388.01108	3.1
466.35971	4.6
467.37631	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.05461	1.5
57.94847	1.5
66.25198	1.7
67.05500	2.7
68.05009	1.9
69.03417	5.3
69.07045	3.8
69.58936	1.5
70.06600	8.9
71.54257	2.3
72.08149	5.0
73.02889	1.7
75.91967	1.4
79.05469	1.5
81.03429	5.7
81.07045	1.8
82.38377	1.9
84.04427	1.8
84.08157	3.2
85.02891	6.6
86.09701	3.5
91.05476	10.0
94.06570	4.1
97.02896	8.2
99.05527	1.6
105.07093	1.5
106.02917	1.8
108.08115	2.5
109.02859	2.2
113.67329	1.5
116.04971	5.3
116.07060	2.0
117.05768	2.0
118.05710	2.1
118.06541	31.8
119.07329	6.4
119.11359	1.4
120.08125	10.3
122.06015	6.9
124.03951	2.8
124.07605	7.0
134.06001	3.2
136.07571	5.7
137.05984	1.9
140.07071	11.2
142.08621	3.8
146.06015	30.7
147.04436	2.4
147.06819	9.4
148.07588	25.0
154.08636	5.4
155.11781	1.7
161.07071	4.0
162.39897	1.5
164.07076	40.8
166.08711	2.5
188.09181	1.9
188.10793	1.9
189.06577	2.7
189.11497	1.6
191.14299	2.1
198.09091	2.0
207.07680	1.8
212.09195	4.2
213.10196	2.6
213.13901	5.8
214.08643	1.8
214.12251	5.3
224.10870	2.6
226.12398	3.0
241.13321	6.0
242.11728	16.9
243.14940	18.8
244.03749	1.7
245.18716	1.7
259.14410	3.8
261.16080	3.5
269.12869	21.4
270.11237	25.3
287.13901	100.0
290.10117	3.7
305.05859	1.9
305.11832	2.7
305.14929	76.9
308.11017	3.9
323.12393	5.2
413.24646	1.8
431.18530	1.8
449.19189	4.9
467.18402	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	466.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	17.9
57.07074	10.8
67.05508	27.0
69.07062	31.0
71.08633	5.5
71.51157	3.3
71.56537	4.7
79.05509	19.4
81.07063	100.0
83.04981	15.8
83.08607	8.1
91.05491	8.0
93.07053	28.7
95.08615	65.9
95.09181	6.9
97.10155	3.5
105.07059	12.0
107.08599	16.0
109.10160	23.9
119.08586	8.0
121.10140	19.2
123.11721	22.0
127.03868	5.6
133.10176	7.6
135.08017	6.2
135.11699	13.5
137.13292	8.2
138.06734	4.0
145.10193	3.9
147.11713	8.3
149.13272	19.8
151.07547	66.3
159.11717	5.3
161.06007	4.4
161.13277	4.9
163.14819	12.2
165.09117	5.0
166.06262	29.5
177.09109	6.4
181.05046	4.4
189.09116	6.9
190.08644	9.8
191.10675	11.0
191.17947	10.0
200.06401	4.5
203.10767	4.6
205.12390	5.0
205.19466	4.9
206.08176	17.3
217.12363	5.0
229.12160	4.6
259.17075	5.8
277.67825	3.9
409.31131	8.6
466.33487	14.3
482.45102	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	466.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.5
57.03428	1.9
57.07077	100.0
59.05002	23.8
63.10605	1.9
67.05493	7.3
69.07075	3.0
69.66318	1.9
71.08635	80.7
71.42648	2.3
71.56578	2.8
73.02921	33.5
81.07050	5.9
83.08605	3.5
85.10188	57.5
87.04478	3.0
89.06028	5.3
95.08627	6.5
97.10178	2.9
99.11736	14.3
105.07055	2.0
107.08612	2.8
109.10165	5.0
113.13282	3.5
117.09134	11.6
119.08617	2.8
129.02602	2.1
129.03647	2.2
133.08595	2.5
155.17955	8.0
159.11574	1.9
162.18088	2.0
168.44472	1.8
179.09218	2.7
213.22157	10.8
237.13403	2.0
239.14944	1.9
241.90170	2.0
248.96291	2.2
271.26389	5.3
466.41183	9.4
467.37677	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	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88195	1.7
53.03939	2.5
55.01851	2.6
55.05501	7.7
57.03432	6.6
57.07074	2.2
61.02914	3.0
65.42902	1.9
67.05511	26.8
69.03429	9.0
69.07069	13.0
70.06571	7.2
71.04987	3.7
71.55474	2.5
72.08154	3.9
73.02910	3.0
74.66017	1.7
75.30461	2.0
78.09481	1.7
79.05499	15.4
81.03409	6.8
81.07062	48.7
83.04978	5.6
83.08615	7.8
84.08131	2.4
85.02903	11.5
85.06542	2.5
87.00826	2.4
88.05264	1.7
91.05478	10.0
93.07047	23.9
95.04969	4.8
95.08595	14.7
97.02882	7.9
97.06525	6.5
98.73933	2.0
103.95856	1.9
105.03361	2.5
105.07053	10.5
107.08596	18.8
109.02880	5.0
109.06501	3.2
109.10152	6.1
110.10426	2.2
111.08103	3.3
117.06977	2.7
119.08576	4.1
121.10170	14.6
122.02597	1.8
123.11683	2.1
127.03905	8.2
131.08583	6.6
133.10115	7.1
135.08026	2.5
135.11652	4.8
136.07498	2.8
137.05988	5.2
137.13255	6.5
145.04906	2.9
145.10161	6.3
147.11670	5.1
149.13245	17.1
159.11716	15.4
161.13293	2.2
161.72287	2.0
163.05836	2.2
164.07092	2.9
177.12752	4.7
185.13319	2.1
187.07538	2.0
195.13846	4.4
201.16373	7.5
209.11525	2.0
234.10379	1.8
269.17490	100.0
273.95212	2.1
303.04922	3.6
304.05496	4.4
394.52176	2.0
466.20416	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3939
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
55.05514	28.3
55.05765	4.0
57.07084	13.8
60.76535	2.2
67.05509	19.8
69.07070	33.9
71.08629	6.5
71.57045	3.1
79.05494	4.3
81.07062	23.7
81.35509	2.1
83.08623	23.9
85.10191	4.6
89.06034	12.8
91.05501	7.4
93.07043	10.2
95.04994	5.1
95.08613	27.0
95.09164	2.6
97.10174	23.4
101.37601	2.1
105.07040	7.1
107.08570	11.7
109.06512	3.7
109.10178	19.3
111.08098	11.2
111.11719	3.8
119.08572	15.0
121.06509	5.5
121.10161	11.0
123.04467	5.8
123.08116	5.2
123.11734	7.4
123.47485	2.5
125.09634	2.9
133.08638	4.9
133.10144	4.5
135.11743	5.6
137.05986	2.4
137.09615	14.2
137.13269	2.9
139.07547	31.0
145.10187	4.2
147.11684	2.9
149.13309	2.8
151.07526	2.8
151.11209	9.3
153.09138	4.8
155.07094	3.1
165.09113	58.1
165.12842	6.0
167.07036	3.5
175.14857	2.6
177.12740	2.6
179.14462	4.6
193.15988	5.7
207.17659	3.9
255.23790	2.3
303.05112	7.2
362.81207	2.1
380.65802	2.0
419.38904	5.5
429.37378	8.2
438.94095	2.1
447.38403	47.9
447.43933	3.4
465.39566	100.0
466.39703	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	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88195	1.7
53.03939	2.5
55.01851	2.6
55.05501	7.7
57.03432	6.6
57.07074	2.2
61.02914	3.0
65.42902	1.9
67.05511	26.8
69.03429	9.0
69.07069	13.0
70.06571	7.2
71.04987	3.7
71.55474	2.5
72.08154	3.9
73.02910	3.0
74.66017	1.7
75.30461	2.0
78.09481	1.7
79.05499	15.4
81.03409	6.8
81.07062	48.7
83.04978	5.6
83.08615	7.8
84.08131	2.4
85.02903	11.5
85.06542	2.5
87.00826	2.4
88.05264	1.7
91.05478	10.0
93.07047	23.9
95.04969	4.8
95.08595	14.7
97.02882	7.9
97.06525	6.5
98.73933	2.0
103.95856	1.9
105.03361	2.5
105.07053	10.5
107.08596	18.8
109.02880	5.0
109.06501	3.2
109.10152	6.1
110.10426	2.2
111.08103	3.3
117.06977	2.7
119.08576	4.1
121.10170	14.6
122.02597	1.8
123.11683	2.1
127.03905	8.2
131.08583	6.6
133.10115	7.1
135.08026	2.5
135.11652	4.8
136.07498	2.8
137.05988	5.2
137.13255	6.5
145.04906	2.9
145.10161	6.3
147.11670	5.1
149.13245	17.1
159.11716	15.4
161.13293	2.2
161.72287	2.0
163.05836	2.2
164.07092	2.9
177.12752	4.7
185.13319	2.1
187.07538	2.0
195.13846	4.4
201.16373	7.5
209.11525	2.0
234.10379	1.8
269.17490	100.0
273.95212	2.1
303.04922	3.6
304.05496	4.4
394.52176	2.0
466.20416	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
55.05510	8.8
56.58120	0.7
57.06821	1.0
57.07080	12.7
59.05003	0.7
65.03932	2.6
67.01874	0.8
67.05508	13.0
69.03431	0.8
69.07072	11.0
71.04981	1.3
71.08642	9.2
71.56865	0.9
79.05486	2.1
81.07061	5.4
83.01348	1.7
83.04997	1.4
83.08622	8.9
85.06563	0.8
85.10185	4.5
89.06009	0.7
91.05485	1.4
93.07041	2.5
95.04991	1.5
95.08603	5.1
97.06533	1.3
97.10178	5.1
99.00831	5.7
99.04452	7.0
105.07047	1.6
107.08585	2.2
109.06538	1.5
109.10159	9.5
111.04446	3.0
111.11735	2.2
113.05971	0.8
117.01855	0.9
119.08597	1.6
121.10165	1.6
123.08060	3.0
123.11748	0.9
125.05967	2.8
125.13301	0.8
127.03918	3.2
131.08578	1.2
135.04451	1.0
135.11685	1.2
137.05972	2.7
137.09579	0.7
139.03906	66.7
139.07465	1.4
141.05453	1.7
145.10149	1.9
149.09665	0.9
151.03917	2.6
151.07532	0.8
152.01791	0.7
152.37498	0.7
153.05486	15.6
163.03902	2.1
163.07515	0.9
163.11258	1.5
163.14809	0.7
165.09091	1.2
167.07056	2.1
169.04980	5.1
171.06528	0.9
173.11752	5.3
177.09178	1.4
177.12697	1.1
179.10640	1.1
181.04965	100.0
191.10690	1.0
193.12315	0.8
195.06494	1.7
205.12251	0.9
209.08170	1.3
209.11789	1.1
223.09653	1.2
237.11182	2.6
237.21770	0.7
251.12915	2.1
265.14487	1.0
279.15741	1.0
289.21323	0.7
293.17551	0.9
303.05008	0.9
307.19064	2.4
317.25284	0.8
321.20441	0.9
335.22195	1.0
349.23557	1.2
353.81372	0.7
377.26941	1.2
387.32629	0.9
401.34155	3.1
405.33267	1.2
419.35315	4.2
429.33569	2.4
432.04321	0.8
447.34512	5.7
465.35800	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	465.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01868	4.5
55.05262	0.7
55.05511	10.3
57.03441	3.0
57.07080	24.5
57.91750	0.6
65.03944	3.6
66.83446	0.5
67.05176	0.7
67.05505	9.1
69.03424	1.3
69.07072	17.3
70.77561	1.2
71.04982	1.4
71.08637	21.3
79.05135	0.5
79.05503	6.2
81.07062	10.1
83.01336	0.7
83.04987	10.1
83.08623	10.8
85.02876	1.3
85.06519	1.7
85.10186	10.7
86.09722	0.7
89.06036	0.8
91.05483	2.1
93.03397	1.7
93.07059	4.8
95.04949	1.9
95.08620	9.8
97.06532	3.2
97.10179	7.5
99.00822	0.9
99.04458	6.6
99.11709	1.8
105.07024	2.7
107.04968	4.6
107.08607	5.0
109.02882	1.7
109.06523	3.8
109.10161	7.0
111.04452	16.2
111.08067	2.3
111.11739	3.6
113.13274	0.8
117.05487	0.7
117.06952	0.7
119.08601	1.9
121.06515	3.0
121.10150	3.7
123.04422	1.5
123.08082	2.7
123.11705	2.3
125.02362	9.4
125.05997	13.0
125.09631	0.9
125.13244	1.3
127.03932	8.8
129.05592	0.5
131.08542	2.0
133.10139	1.8
135.04442	4.8
135.08063	2.2
135.11713	1.6
137.05991	3.8
137.09608	1.9
137.13301	0.9
139.03915	8.3
139.07536	2.7
139.11154	0.9
141.05492	2.3
143.08594	0.7
145.10121	2.2
147.11693	1.3
149.05962	0.6
149.09602	2.7
149.13268	1.5
151.03917	2.5
151.07559	3.1
151.11156	1.6
151.14847	1.1
153.05473	93.9
153.09073	1.6
154.05823	0.8
155.07076	1.4
157.04930	1.2
159.08112	0.9
159.11674	1.7
161.09631	1.1
161.13248	1.2
163.03864	0.9
163.07558	1.6
163.11177	2.2
163.14835	1.2
165.09135	2.5
165.12726	1.8
167.07057	8.4
167.10657	1.8
169.05002	2.7
169.08557	1.5
173.09618	0.9
173.11758	0.8
175.11172	0.8
175.14864	1.1
177.09137	3.0
177.12790	1.3
179.10681	1.2
181.04941	6.3
181.08617	7.7
181.12161	0.9
183.10187	0.6
187.06017	4.6
187.14865	0.7
189.12769	0.8
189.16454	0.8
191.10635	2.0
191.14349	0.9
193.12242	2.2
195.06592	1.6
195.10191	7.5
199.06029	100.0
205.08620	0.9
205.12288	1.2
207.13843	1.9
207.17578	0.6
209.08148	1.1
209.11758	6.7
213.07632	8.2
217.07199	0.7
219.17395	0.7
221.15431	1.5
223.09721	2.1
223.13298	4.7
227.09064	5.2
233.15498	0.8
235.16867	1.2
237.11198	1.9
237.14867	3.6
240.08748	1.7
241.10759	7.0
249.18745	0.7
251.12852	1.7
251.16408	3.8
255.12279	9.8
265.14389	1.7
265.18005	3.5
269.13840	8.2
279.16147	1.0
279.19598	3.3
283.15402	7.2
284.11026	0.6
293.17764	1.2
293.21118	2.7
297.17041	4.9
307.19141	1.6
307.22781	2.5
311.18558	8.5
319.29767	0.7
321.20724	1.9
321.24161	0.8
325.20203	9.1
329.28500	1.0
335.22214	1.0
335.25830	1.0
339.21664	9.4
347.29428	5.6
349.23553	1.1
351.31012	0.6
353.23276	6.6
363.24951	0.7
363.28946	1.2
367.24738	6.0
368.25284	0.7
373.31128	1.4
377.26486	0.8
381.26450	6.4
391.32327	5.4
395.27911	6.1
401.34131	1.7
405.33820	1.8
409.29495	5.7
419.35248	8.1
423.31277	0.8
447.34619	3.6
465.35788	64.3
466.36017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01870	3.8
55.05516	17.8
55.88344	1.2
57.03431	1.2
57.06821	1.6
57.07078	18.0
59.05006	1.8
64.26169	1.0
65.03942	2.3
67.05509	36.2
69.03424	1.3
69.07074	19.7
70.86354	2.5
70.86717	1.3
71.04986	2.1
71.08636	13.5
79.05492	2.9
81.07066	9.3
83.01345	2.8
83.05003	2.1
83.08634	15.1
85.02918	1.6
85.06488	1.2
85.10191	7.0
87.45332	1.1
89.06046	1.6
91.05495	3.5
93.07063	1.7
95.04959	3.5
95.08610	6.0
97.10171	10.4
99.00848	6.0
99.04452	9.8
103.50450	1.3
105.07014	1.9
107.05039	1.4
107.08587	2.9
109.06519	2.7
109.10164	23.3
111.04465	3.0
111.08094	1.5
111.11731	4.1
112.49822	1.2
113.06027	1.2
119.08585	3.0
121.10159	2.3
123.08082	1.5
125.06013	1.9
127.03927	5.1
132.47934	1.3
135.04338	1.5
135.11726	1.4
137.05980	4.5
137.09581	1.3
139.03914	68.3
139.07523	1.8
140.04326	1.2
141.05481	3.6
151.03914	5.0
151.07619	2.7
153.05470	15.1
161.13368	1.2
163.03891	3.9
167.07047	3.1
169.05011	6.5
169.30429	1.1
173.11777	8.1
177.09087	1.9
181.04977	100.0
191.10721	2.3
195.06555	1.5
205.12192	2.6
237.11200	1.4
237.22185	1.3
251.12819	2.1
258.61044	1.1
293.17542	1.5
307.19214	1.6
325.30084	1.2
387.32654	2.1
401.34048	2.4
419.35284	3.6
429.33862	3.4
447.34848	4.1
449.22446	1.2
465.35736	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	465.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	9.0
55.05515	36.9
57.03437	2.1
57.07085	16.6
57.37877	1.3
67.05499	10.7
69.07079	10.9
71.08637	14.0
71.55469	1.5
79.05488	5.0
81.07056	12.2
83.04986	86.7
83.08610	5.9
85.06586	1.3
85.10186	5.5
91.05491	1.9
93.07049	3.8
95.08611	9.1
97.10166	4.1
99.00817	12.7
99.04453	4.0
99.11734	1.5
101.06021	13.2
105.07014	3.8
107.04962	7.0
107.08592	5.5
109.06506	1.4
109.10171	7.2
111.11694	2.8
117.01867	2.7
117.05454	2.1
119.08575	4.3
121.10148	5.4
123.08044	2.4
123.11660	1.9
125.06012	2.3
127.03925	17.9
127.15150	1.1
131.08597	1.9
133.10129	2.9
133.57076	1.1
135.04414	15.6
135.11676	2.6
137.06035	2.0
145.10132	3.0
147.11693	2.8
149.13248	2.7
151.07576	1.9
153.05475	15.9
159.11676	1.9
161.13246	2.7
163.03918	5.5
167.10611	1.5
173.11868	1.5
173.13301	2.6
179.10680	1.5
181.03381	2.6
181.04968	47.1
187.06000	2.8
199.06039	32.9
199.14799	1.2
201.97090	1.2
240.08440	1.6
241.10759	1.2
255.12386	1.4
283.15063	1.4
311.18268	1.3
323.50406	1.2
339.21719	2.3
347.29590	2.6
353.23352	2.6
409.29529	3.5
465.35754	100.0
465.40750	3.9
466.36169	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3577
Annotation	Certonardosterol B2
Peak:m/z	Relative Intensity
53.03926	2.1
55.01864	3.3
55.05518	37.1
57.06865	1.9
57.07081	19.3
59.04990	3.4
63.94721	1.7
67.05509	25.1
69.03397	2.4
69.07070	51.4
69.90512	2.2
71.08638	14.1
71.41287	2.1
79.05492	8.3
81.07059	44.4
83.04992	39.1
83.08635	22.2
83.34187	1.7
85.06520	3.5
85.10163	8.5
89.06032	9.4
90.49012	2.2
90.90470	1.9
91.05473	8.2
93.07067	12.4
95.04966	4.4
95.08611	43.3
96.08997	2.6
97.06532	2.3
97.10165	16.2
105.07083	9.7
106.61801	2.2
107.08610	11.0
109.06517	8.9
109.10163	23.2
111.04449	4.2
111.08102	6.5
111.11726	8.0
119.08582	10.0
121.06528	3.9
121.10156	9.2
123.04382	3.7
123.08090	9.8
123.11693	11.2
125.02335	2.9
125.13238	2.1
131.08585	3.0
133.08600	3.7
133.10141	6.0
135.08060	6.1
135.11703	7.3
137.05984	29.1
137.09628	5.6
137.13248	5.5
139.07541	9.6
141.05489	3.2
145.10155	3.1
147.11707	4.1
149.09641	3.7
149.13228	2.6
151.07559	8.7
151.11122	2.5
151.14882	2.4
155.03357	2.7
155.07043	8.6
159.08153	1.9
159.11696	5.0
161.09607	12.8
161.13277	3.8
163.11244	3.1
163.14806	3.0
165.05499	6.6
165.09113	4.6
165.12778	3.9
167.07069	5.8
167.10695	3.2
170.09024	2.1
173.11722	2.7
173.13206	3.1
174.46379	2.0
175.11230	5.7
177.12732	4.2
179.10703	4.5
183.06557	4.7
189.12810	5.7
191.10701	2.6
193.12279	5.9
203.14330	2.8
205.12292	3.9
207.13884	4.3
219.13795	3.5
303.05045	7.5
319.26511	2.8
373.34769	4.5
383.33173	3.9
401.34149	26.3
419.35315	5.3
429.27725	2.8
429.33670	47.7
447.34677	100.0
465.35812	95.1
466.36218	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	465.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01873	12.1
55.05269	2.3
55.05516	31.7
57.03444	9.9
57.07071	14.0
65.03933	3.4
67.05506	16.7
69.03427	2.0
69.07070	49.5
69.53001	4.0
69.53407	9.7
71.08640	8.8
73.02917	6.5
79.05497	11.9
81.03429	3.0
81.07058	24.4
83.04963	2.3
83.08622	32.2
84.04512	2.2
85.02911	2.3
85.10200	4.1
91.05470	13.4
93.03420	3.5
93.07042	14.9
95.05013	8.4
95.08616	18.6
97.06557	3.6
97.10188	18.5
98.98467	32.8
105.07023	6.9
107.04944	1.7
107.08605	9.1
109.02879	3.5
109.06531	9.9
109.10179	11.8
111.04444	10.5
111.08089	2.6
111.11727	6.3
117.07017	2.4
119.04945	5.5
119.08588	5.5
121.06508	5.2
121.10161	8.2
121.10980	1.5
123.04435	26.0
123.08102	2.0
123.11721	5.3
131.08580	4.5
131.37067	1.6
133.06432	1.6
133.10150	2.6
135.11710	4.5
137.00027	2.5
137.02495	1.7
137.05977	28.9
139.03957	2.8
139.07541	4.2
142.07884	1.8
143.08592	1.6
145.10130	3.9
147.04408	12.3
147.08044	1.9
149.06009	4.3
149.09615	1.8
149.13284	3.6
151.07535	5.4
153.05476	10.0
155.01057	32.2
159.08055	2.2
159.11670	4.0
165.05484	91.6
167.07053	100.0
171.06532	2.0
171.11722	1.8
173.09608	2.5
173.95663	1.8
175.11208	4.3
179.07080	5.4
183.06573	2.4
185.13249	1.7
189.09155	1.9
191.10696	1.8
193.08615	3.8
203.10699	2.0
207.10220	3.9
215.10724	2.7
215.14244	6.2
217.15874	1.6
219.21156	2.5
221.11765	4.2
229.04898	2.5
233.11650	2.1
235.13248	2.4
237.22139	6.8
249.14896	2.2
277.18069	2.1
291.19492	3.3
294.62897	1.8
303.05151	8.7
303.19412	1.8
311.25809	71.1
312.26065	3.3
411.32385	4.6
429.33682	46.7
447.24915	10.4
447.34753	28.8
465.29919	5.6
465.36044	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	465.3577
Annotation	Certonardosterol C2
Peak:m/z	Relative Intensity
53.03939	1.9
55.01865	3.3
55.05517	14.5
57.07080	14.0
65.03932	2.4
67.05514	14.0
69.01910	1.5
69.03421	3.2
69.06720	2.2
69.07074	25.4
69.42649	12.1
71.08639	7.6
79.05510	7.2
79.11764	1.4
81.07067	19.9
83.04960	3.6
83.08614	15.1
85.10181	4.0
89.06013	2.7
91.05483	4.8
93.07044	11.2
95.04999	6.9
95.05493	1.3
95.08611	23.5
97.06528	4.0
97.10170	12.0
98.21635	1.4
105.07030	6.6
107.08569	6.9
109.06526	11.6
109.10168	14.6
111.04449	100.0
111.08058	1.9
111.11701	4.2
112.04766	1.4
119.04910	1.8
119.08612	6.9
121.06499	10.3
121.10117	3.0
123.04443	17.8
123.08056	3.6
123.11707	5.8
125.06000	1.9
125.13301	2.6
131.08578	3.0
133.08630	1.5
133.10120	4.2
135.04410	8.3
135.08066	4.8
135.11687	3.7
137.05989	17.7
137.13243	4.8
139.07553	7.4
143.08540	2.4
145.10088	3.9
147.08089	2.6
147.11589	1.5
149.05988	4.0
149.09549	1.5
149.13371	1.6
151.07544	3.3
153.05489	31.8
155.07065	5.2
157.10106	2.9
159.08032	2.7
159.11707	3.4
161.09608	4.1
161.13329	1.9
163.11160	1.5
165.05490	64.3
167.07008	3.7
171.06538	5.6
171.11708	4.8
173.11760	1.9
173.13293	2.3
175.11200	3.9
183.06537	63.9
187.11099	1.6
189.12764	4.1
191.10793	4.0
201.16521	1.6
233.15137	1.6
298.29266	1.4
303.05148	6.8
316.25787	1.4
383.33130	7.4
401.34149	19.5
403.35635	2.8
411.32562	9.4
419.35178	17.8
429.33673	28.2
447.34723	15.9
465.29996	1.8
465.35873	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.6
55.05518	10.9
57.03436	3.4
57.07084	23.2
59.37413	1.4
63.20445	1.2
65.03935	2.8
67.05505	5.8
69.03405	1.9
69.07071	16.5
69.56577	6.1
69.57000	2.8
71.08635	15.9
72.63626	1.3
76.92256	1.3
79.05507	6.0
81.07061	10.3
81.67770	1.3
83.04985	11.5
83.08623	7.5
85.10188	8.4
91.05499	1.8
93.02805	1.1
93.03385	1.4
93.07017	5.0
93.80022	1.1
95.08630	6.1
97.06538	3.2
97.10178	3.8
98.20805	2.6
99.04455	5.1
99.11737	1.4
105.07028	3.0
107.04968	5.6
107.08604	5.1
109.06512	3.0
109.10162	4.7
111.04449	16.2
111.08073	3.4
111.11751	2.8
119.08623	1.9
121.10148	3.6
123.04516	1.6
123.08076	3.3
123.11724	1.6
125.02348	10.5
125.05986	14.1
125.09644	2.3
127.03927	7.2
135.04341	6.1
135.11676	1.9
137.05981	3.7
137.09573	1.8
139.03905	5.7
139.07539	2.6
145.10069	1.7
147.11685	2.5
149.09526	2.2
151.03879	2.8
151.11177	1.6
153.05475	100.0
163.11250	2.0
163.14793	1.6
167.07025	8.2
167.10721	2.4
169.05009	3.1
175.14859	1.6
177.09077	3.9
179.10638	1.6
181.04982	7.8
181.07314	1.3
181.08571	7.7
181.12181	1.7
187.06064	2.8
187.14804	1.7
191.10687	2.3
193.12312	2.4
195.06563	2.0
195.10159	7.3
199.06038	96.8
205.15866	1.9
207.13866	1.7
209.11824	4.6
213.07536	6.1
223.09767	2.4
223.13263	3.8
227.09259	4.2
237.11035	2.1
237.14851	3.0
240.08484	1.4
241.10771	4.5
251.16533	3.3
255.12366	8.3
265.18121	2.9
269.13876	7.5
272.24274	1.4
279.19687	2.6
283.15497	5.2
293.21268	2.7
297.16977	5.0
307.19220	2.7
307.22708	2.8
311.18439	7.6
321.24466	2.0
325.20175	7.1
335.22534	1.5
339.21597	8.1
347.29391	6.7
353.23135	6.8
367.24857	4.6
381.26389	5.9
391.32214	3.0
395.27917	4.8
409.29541	5.4
419.35187	6.0
447.34525	3.1
465.29065	2.7
465.35779	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01878	4.5
55.05517	14.6
57.06826	1.1
57.07082	16.4
59.05001	1.1
65.03942	3.1
67.01867	1.7
67.05509	34.3
69.07069	18.1
69.63124	1.4
69.63521	4.3
71.04981	0.7
71.08282	1.2
71.08640	13.4
73.40626	0.7
75.92718	0.8
77.03161	0.8
78.27517	0.7
78.55437	0.7
79.05491	3.0
81.07067	9.0
83.01351	2.4
83.04987	2.1
83.08619	15.3
85.02933	1.1
85.06536	1.5
85.10181	8.1
91.05483	2.2
93.03403	1.3
93.07018	2.6
95.04984	1.8
95.08619	5.4
97.06500	1.4
97.10170	10.7
99.00802	4.1
99.04462	9.1
105.07046	1.0
107.04951	1.1
107.08599	2.7
109.06541	1.4
109.10165	24.3
111.04445	3.4
111.08076	1.0
111.11724	3.7
119.08562	3.4
121.10184	1.2
123.11797	0.8
125.05962	1.9
125.13274	1.6
127.03934	3.4
135.04442	1.3
137.05952	5.0
137.13249	0.8
139.03908	79.2
139.07547	1.5
141.05455	3.1
145.10069	1.0
150.73378	0.8
151.03862	3.8
151.07582	1.2
153.05467	15.9
155.10709	1.1
159.08177	1.2
159.11559	1.0
163.03935	4.5
165.05560	1.0
167.07042	1.6
169.04980	4.8
173.11739	8.3
177.09142	1.4
179.10655	1.2
181.04965	100.0
187.05995	1.3
191.10709	1.4
195.06602	1.9
205.12251	1.4
209.08234	1.0
222.61557	0.8
223.09705	0.9
237.11281	2.2
251.12852	1.6
279.15894	1.1
283.64804	0.8
293.17563	1.5
321.20682	1.3
377.27264	1.0
387.32520	1.0
401.34079	3.2
405.33615	2.3
419.35080	2.0
429.33621	3.4
447.34586	5.4
465.35825	24.8
466.36505	0.8
475.39761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3579
Annotation	Castasterone
Peak:m/z	Relative Intensity
53.03940	2.9
55.01853	2.5
55.05272	2.9
55.05515	48.6
57.07081	38.2
59.04998	3.1
59.14843	2.0
60.44506	1.8
64.16302	2.2
65.03933	5.5
67.05509	100.0
69.03419	2.7
69.07072	66.8
71.05014	3.2
71.08637	26.9
71.57111	3.7
79.05502	6.2
81.07065	25.0
83.04994	3.0
83.08138	3.8
83.08624	56.8
85.06541	3.5
85.10188	12.5
86.09670	2.0
91.05485	11.3
93.07073	10.2
95.04946	5.0
95.08600	15.4
97.10175	44.8
99.04414	2.5
105.07038	5.6
107.08575	6.5
109.10162	76.5
111.04418	3.7
111.08083	3.4
111.11723	25.0
113.06090	2.6
119.08592	9.6
121.10156	6.0
125.02364	4.3
125.13274	9.6
127.03927	8.4
133.10132	2.2
135.04427	3.8
135.11688	2.9
137.05974	11.1
137.09602	5.1
138.39719	2.1
139.14839	4.0
141.05472	2.4
143.08640	2.2
145.10121	2.8
147.11720	2.7
151.03903	21.6
153.05484	3.4
153.47206	2.5
155.10667	4.1
159.11768	2.9
163.03931	6.2
163.07509	2.8
169.04990	38.9
173.11768	24.0
173.13199	3.6
173.27931	2.2
177.05397	2.5
177.09070	4.8
181.04932	6.1
191.10690	3.4
199.06078	3.0
200.75929	2.3
219.10016	3.6
237.22276	3.0
289.17935	4.1
303.05176	3.6
383.33054	9.9
401.34015	5.6
411.32526	3.5
429.33820	12.0
435.18750	2.3
447.34579	10.2
465.35724	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3575
Annotation	Certonardosterol C2
Peak:m/z	Relative Intensity
53.03942	3.7
53.11795	1.2
55.01872	10.7
55.05265	2.2
55.05512	30.1
57.03434	6.5
57.07077	17.1
62.39466	1.2
65.03930	3.4
67.05504	20.1
68.42077	1.1
69.03418	3.2
69.07070	47.6
70.23615	1.0
71.00753	1.2
71.04993	1.2
71.08638	10.4
71.55902	1.4
73.02905	4.5
79.05486	12.3
80.79573	1.1
81.03410	3.1
81.07063	25.8
83.04981	3.5
83.08147	2.2
83.08620	29.9
85.10175	4.5
91.05484	15.5
93.03399	3.4
93.07034	14.5
95.04963	8.1
95.08611	22.5
97.02893	1.5
97.06522	3.5
97.10181	14.1
98.97861	2.8
98.98471	31.9
105.07024	6.3
107.04936	2.0
107.08598	7.2
109.02855	3.5
109.06525	10.0
109.10168	17.2
110.02401	1.1
111.04459	9.2
111.08050	2.7
111.11709	7.3
113.06026	1.1
117.07050	1.4
119.04961	5.7
119.08525	3.0
121.06468	6.2
121.10162	6.0
123.04420	22.3
123.08035	2.9
123.10903	1.1
123.11683	6.8
125.05968	2.3
125.13287	1.6
129.05492	2.9
131.08604	2.2
133.06448	1.3
133.10112	3.7
135.08041	3.4
135.11714	4.4
136.99965	2.5
137.05981	34.2
137.09665	1.6
137.13210	2.1
139.03873	3.7
139.07541	4.4
141.05464	1.2
143.08595	1.6
145.10101	2.9
147.04427	14.6
147.08060	1.7
147.11621	1.4
149.05978	7.3
149.09610	1.5
149.13257	2.6
151.07542	4.3
151.14697	1.2
153.05472	11.7
155.01044	27.5
155.07076	2.5
157.10152	2.0
159.07982	1.7
159.11627	1.9
161.09590	2.2
163.07486	1.5
165.05479	100.0
165.09111	3.2
167.07043	97.3
171.06520	2.9
171.07869	1.4
171.11708	1.3
173.11768	1.3
177.09041	1.7
179.07042	7.2
183.06586	3.3
189.12614	1.9
191.10614	2.2
193.08571	2.0
205.12260	1.6
207.10158	3.8
215.10594	2.1
217.12215	3.0
221.11671	3.7
229.04732	3.1
231.13730	1.7
233.11794	2.0
237.22034	6.2
291.19507	2.3
303.05005	7.4
311.25809	58.0
339.88889	1.4
411.32440	4.9
429.33664	46.2
447.19977	1.3
447.25314	7.3
447.34717	30.3
448.34625	1.7
465.29965	2.2
465.35828	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	465.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56308	2.0
55.01870	2.3
55.05513	8.1
55.32897	1.9
56.63644	1.9
57.03424	6.8
61.02913	2.3
65.51196	2.0
67.05507	16.8
69.03415	6.7
69.07059	11.4
70.06609	2.3
71.04973	4.2
79.05481	11.4
79.40773	1.9
81.03415	6.2
81.07057	48.8
83.04988	3.6
83.08622	6.2
85.02911	5.2
85.06555	4.8
91.03989	2.3
91.05479	14.9
93.07054	11.7
95.04977	2.7
95.08612	14.6
96.03788	2.0
97.02888	5.3
97.06556	3.2
97.10177	2.5
98.09685	3.6
99.04449	3.0
99.08057	2.4
99.09997	2.3
105.07031	25.6
107.08593	9.3
109.02892	2.9
109.06525	2.7
109.10158	4.2
119.08585	21.3
121.10139	11.5
123.11715	19.2
127.03902	6.0
127.07595	3.0
129.07001	2.9
130.91928	2.1
131.08527	2.5
133.10121	6.4
135.11668	3.6
136.07600	4.7
137.05930	2.3
137.09573	2.3
140.50972	2.1
145.10155	3.3
147.11688	38.2
151.79854	2.4
157.10214	3.5
159.11673	2.9
164.07077	3.1
165.12773	17.6
167.07280	2.3
183.13814	3.1
196.07381	4.3
199.14836	3.2
216.07603	9.8
217.08347	12.9
229.14438	7.7
267.15970	30.3
271.04230	4.6
285.16977	79.5
303.04919	14.2
379.13666	6.2
421.14691	40.1
450.53839	2.4
465.13708	100.0
466.14597	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	465.1395
Annotation	5,7,3',4'-Tetrahydroxy-6-C-methylflavanone 7-O-glucoside
Peak:m/z	Relative Intensity
52.12984	1.0
53.03954	1.5
55.01873	1.6
55.05513	1.9
57.03436	1.1
61.02918	1.5
61.67851	1.0
65.02207	1.0
67.05522	2.6
68.99828	1.4
69.03436	4.3
69.07063	1.8
69.66873	6.9
70.06583	3.6
72.08164	3.8
73.02940	1.2
79.05486	2.4
81.03434	4.0
81.83320	1.0
84.04518	3.5
84.08154	1.7
85.02911	8.1
86.06156	1.0
86.09742	2.8
87.04443	1.4
88.97356	1.1
90.73925	1.2
91.05483	2.5
93.07069	2.4
94.06595	1.5
95.04964	2.0
95.08596	3.0
97.02905	4.5
98.06085	1.2
99.04461	1.3
99.08107	1.1
105.07058	1.7
107.04968	3.7
107.08602	1.4
109.02907	5.0
111.04446	2.9
111.08121	1.1
111.32947	1.3
113.09631	1.5
115.03941	1.2
120.08123	3.5
121.02864	1.1
122.06056	3.9
123.04479	1.2
126.05574	1.2
127.03944	3.2
128.07121	1.3
133.02872	4.3
135.04448	7.2
135.11703	1.1
136.07587	20.2
137.02354	6.1
137.06052	1.9
138.05505	1.5
139.03938	2.8
145.04973	1.4
147.04425	1.6
153.01823	5.4
153.05458	3.3
153.12756	1.1
157.10252	1.4
162.05464	1.9
163.03899	8.7
164.07089	26.6
165.01794	2.3
165.05495	4.0
167.03339	1.8
168.06601	1.0
169.04996	1.8
176.14360	1.6
182.08159	3.6
193.05046	1.6
198.17311	1.1
201.05528	2.1
216.06856	1.3
224.09224	2.3
225.05473	1.7
229.04947	4.6
229.08586	2.1
243.11488	1.4
257.04498	4.2
270.05237	2.2
275.08969	1.4
285.04382	1.6
285.07617	10.1
285.12421	2.3
290.10294	1.4
303.05020	100.0
303.08655	30.7
304.05658	2.3
308.11221	1.7
326.12442	4.1
465.09885	2.3
465.23141	7.3
466.19922	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	465.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.9
62.38251	1.0
63.27496	1.3
69.03432	4.3
69.07063	1.9
70.06592	3.7
70.94548	1.3
70.94877	1.9
71.04990	1.6
72.08155	2.5
79.05504	1.7
81.03427	2.5
81.07050	1.3
82.06589	1.1
84.04506	2.6
84.08107	1.5
85.02901	4.9
91.05498	1.8
94.06554	2.3
105.07052	1.3
106.06581	1.3
110.06028	2.4
120.04474	2.0
120.08087	5.6
122.06020	2.6
122.33461	1.1
124.07594	2.6
127.03922	2.8
130.06548	1.4
131.77434	1.2
132.08089	1.8
134.06023	3.9
136.07617	2.2
137.06003	1.3
140.00562	1.3
140.07112	2.4
142.08638	5.4
146.05943	2.3
147.06807	1.7
148.07617	3.9
150.05550	1.4
152.07082	2.9
156.06584	1.3
160.07590	1.9
162.05518	26.2
168.06621	1.5
173.07138	1.1
174.07893	1.6
175.08682	2.5
176.07031	1.5
178.08620	2.5
187.08615	1.7
194.08162	4.1
197.12947	1.2
198.09138	1.4
199.08626	2.8
201.10283	4.2
213.10243	3.1
214.08749	2.6
214.10895	2.1
215.08311	1.8
215.11807	5.7
225.10176	2.7
226.10939	1.6
227.08183	2.8
227.11905	6.4
229.09766	4.3
229.13326	1.5
232.09660	2.2
239.11783	2.9
241.09790	4.2
242.10426	1.6
243.08899	2.4
243.11316	4.3
244.09589	1.2
253.13489	1.4
255.11320	11.0
256.11996	1.9
257.12900	2.6
261.12430	2.9
264.10434	1.3
267.11398	2.4
269.12946	3.8
273.12384	4.0
274.12961	1.8
281.12878	2.7
283.11014	1.6
285.12311	2.6
287.13931	6.6
288.62836	1.3
297.12323	7.1
298.13058	2.2
299.13895	12.1
301.11801	2.4
302.12750	2.8
303.04974	9.2
303.13373	22.8
309.12457	2.4
315.13428	27.8
316.14172	18.4
317.14981	3.5
323.14044	1.6
327.13358	1.6
329.14865	2.1
341.15027	1.2
343.12955	5.8
345.14609	1.4
355.16537	3.0
357.14359	2.1
375.15582	12.8
378.15472	1.7
383.15994	3.8
387.15604	2.4
393.14410	3.6
399.15564	11.0
401.16913	2.0
411.15643	9.2
419.18002	2.0
422.09619	1.3
429.16553	31.2
430.16763	1.5
447.17654	63.1
448.17810	1.3
465.18710	100.0
466.19125	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01865	2.1
55.05507	5.0
56.57951	0.5
57.03436	3.4
57.07067	1.3
61.02915	1.7
65.03940	0.7
67.05508	10.9
69.03426	3.9
69.07069	7.1
70.06582	1.2
71.04987	3.4
71.55354	0.6
72.08173	0.8
73.02943	1.2
73.90150	0.7
79.05498	6.8
81.03423	3.8
81.07058	31.0
83.04997	3.5
83.08620	2.7
84.08144	0.9
85.02914	3.7
85.06549	2.2
91.03946	0.8
91.05479	11.7
93.07053	8.2
95.04964	2.5
95.08601	9.7
97.02898	2.8
97.06544	3.2
97.10178	1.1
98.09714	1.5
99.04451	2.9
99.08108	1.6
105.07031	15.8
105.07682	1.2
107.08595	6.4
109.02895	1.8
109.06543	3.0
109.10153	3.3
111.04452	1.2
113.05977	1.0
117.07011	1.5
119.08585	13.3
121.06561	0.8
121.10146	9.4
123.04445	1.3
123.08076	2.7
123.11710	12.3
125.26787	0.6
127.03899	3.0
127.07568	0.9
129.07025	1.4
130.07675	0.6
131.08580	2.1
133.10184	4.9
135.08133	0.9
135.11644	1.0
136.07594	2.1
137.02344	0.8
137.05977	1.1
137.09711	1.2
137.13269	1.3
139.03946	0.8
143.08568	1.3
145.10112	2.5
147.04378	0.9
147.08029	1.0
147.11693	26.4
149.09566	0.6
149.13284	0.7
153.01865	1.1
153.05482	1.2
155.08578	0.8
157.10159	2.4
159.08040	0.9
159.11667	1.3
161.09637	1.0
161.13242	1.0
163.11128	0.7
164.07088	2.0
164.30788	0.6
165.10538	0.6
165.12778	10.7
171.11757	0.9
173.13185	0.7
175.11223	1.9
175.14844	1.0
183.13791	2.2
185.13315	0.7
193.12270	0.8
199.14839	1.3
201.05273	1.8
205.08612	0.9
216.07578	10.7
217.08379	10.7
217.15941	1.3
227.05208	2.1
229.14372	3.4
235.17021	0.9
249.05656	0.7
249.48860	0.7
257.04547	1.7
267.15918	17.9
269.88562	0.7
271.04160	3.1
285.16965	54.3
303.05011	11.2
379.13696	5.0
403.13663	1.2
421.14697	40.5
422.15024	0.9
447.22101	1.6
465.13702	100.0
466.13696	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
68.99788	0.8
69.03417	0.2
69.50473	0.9
70.06586	0.3
72.08155	0.3
76.66638	0.1
81.03399	0.5
84.08144	0.2
85.02909	0.3
91.05463	0.1
92.03172	0.1
93.03403	0.5
95.04964	0.5
97.02901	0.1
98.21503	0.1
105.07026	0.2
107.04965	0.2
109.02901	0.6
111.00809	1.4
117.06966	0.1
120.08090	0.1
121.02884	1.2
123.04427	0.3
127.03883	0.3
131.04962	0.1
135.04350	0.3
137.02345	3.9
137.03413	0.2
137.05975	0.3
145.06436	0.2
147.04366	0.2
149.02370	0.5
153.01836	4.8
153.05342	0.1
155.04916	0.3
159.04454	0.2
159.90225	0.1
161.06038	0.3
163.03923	0.7
165.01852	2.3
166.02592	0.3
173.06026	0.6
177.05612	0.2
179.03416	0.2
181.08580	0.1
183.02895	0.8
183.04333	0.2
186.54044	0.1
187.03853	0.5
191.07031	0.1
195.02878	0.2
201.05496	2.2
201.12367	0.1
205.04987	0.2
207.02914	0.2
213.05519	0.2
215.03387	0.1
219.03026	0.2
219.06516	0.4
228.04091	0.2
229.04984	5.9
230.05377	0.1
232.03682	0.2
239.03360	0.3
245.04562	0.1
247.06023	0.7
257.04468	3.4
258.04803	0.1
274.04742	0.9
275.05508	0.4
276.13483	0.1
285.04010	1.3
285.12375	0.3
303.04996	100.0
304.05350	2.0
311.78543	0.1
315.05002	0.3
345.06122	0.2
369.06177	0.2
390.12381	0.1
394.91684	0.1
408.65912	0.1
438.58353	0.1
450.82709	0.1
465.10065	0.8
465.19516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05796	3.6
55.01860	11.8
57.03446	26.1
59.05003	5.0
61.02930	23.9
69.03433	42.5
70.06607	5.0
70.94553	3.5
70.94930	9.8
71.01351	4.4
71.18957	3.3
73.02923	82.8
81.03410	8.9
85.02906	95.8
86.17949	3.6
87.04464	6.2
91.03960	4.5
97.02900	70.9
99.04433	5.3
107.57242	3.3
109.02909	6.2
115.03936	30.8
121.02868	53.6
125.02341	3.9
127.03080	4.5
127.03924	32.3
133.04984	53.8
145.04967	35.3
153.05472	100.0
163.05968	10.7
199.05972	3.2
223.06000	3.7
241.07104	9.1
259.08133	8.6
302.07346	5.3
303.04926	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	465.1029
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.43385	0.3
55.01868	0.3
57.03435	0.5
58.94386	0.2
61.02643	0.4
61.02930	5.9
68.99788	1.1
69.03419	0.9
69.44633	1.2
69.45055	0.8
73.02927	1.5
81.03404	0.5
85.02907	5.9
90.78803	0.3
91.03952	3.6
91.67983	0.2
97.02885	2.9
98.20757	0.5
99.04450	0.5
109.02917	0.5
111.00805	1.2
121.02876	1.2
127.03927	1.3
137.02342	4.2
145.04990	0.5
145.06464	0.4
149.02306	0.3
153.01825	4.7
155.04924	0.4
161.06018	0.3
163.03934	0.8
165.01854	2.6
166.02640	0.3
173.05972	0.6
183.02872	0.7
183.04376	0.6
187.03862	0.6
195.02791	0.4
201.05534	1.8
201.07111	0.3
229.04967	5.2
247.06042	0.9
257.04453	3.1
274.04694	0.9
285.03833	1.3
303.04993	100.0
304.05316	1.7
315.04807	0.4
343.28909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03939	0.6
57.03434	1.3
60.52907	0.5
61.02917	1.3
68.99786	0.6
69.03434	3.3
70.76366	1.0
70.76737	1.1
73.02916	0.6
81.03405	2.0
85.02908	10.2
86.51422	0.5
91.03986	0.5
97.02895	3.2
99.04494	0.6
109.02882	1.6
111.00780	1.4
121.02858	1.7
127.03917	1.8
127.65346	0.4
137.02370	5.1
145.04962	1.9
145.06485	0.7
149.02391	0.6
153.01863	5.4
155.04951	0.5
163.03917	0.5
165.01862	1.8
173.06071	0.6
180.22748	0.5
183.02864	1.0
183.04373	0.7
201.05508	2.8
229.04967	6.6
242.04761	0.5
247.06018	0.6
257.04462	4.2
274.04736	0.9
285.03928	1.7
303.05002	100.0
304.05405	1.9
326.89380	0.6
368.32468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05518	18.9
57.06823	2.8
57.07082	35.7
57.30289	1.7
60.62600	1.5
67.05506	10.3
69.07072	24.8
69.88747	8.3
71.08634	26.9
79.05488	5.3
81.07055	20.4
83.08627	21.7
84.75790	1.5
85.10197	13.4
87.19729	1.7
91.05491	4.4
93.07050	9.3
95.04979	2.3
95.08618	24.7
97.06561	3.5
97.10177	14.9
99.04463	4.4
105.07031	6.4
107.08611	4.7
109.06524	12.8
109.10131	8.5
111.08092	2.7
111.11729	7.7
113.00055	2.7
119.08604	5.0
121.06531	2.1
121.10184	4.3
123.08113	13.5
123.11697	4.4
125.05991	15.7
125.13226	2.5
127.07557	38.2
133.06488	2.2
133.10147	3.3
135.08093	2.1
135.11716	3.9
137.05997	8.5
137.09653	3.8
137.13312	3.3
139.07552	100.0
147.11700	2.6
149.05969	4.0
149.09627	3.9
149.13329	2.7
151.07530	11.3
159.11703	3.0
161.02312	2.2
161.13297	4.3
163.07523	3.9
165.09175	1.8
167.07028	4.4
169.08633	2.8
173.09538	2.3
173.13225	2.1
175.14792	2.9
177.09062	11.5
177.12737	2.1
179.07037	4.8
193.08499	2.1
197.04504	2.0
201.74422	1.8
203.14336	3.3
207.13824	2.0
209.15683	1.8
213.12846	2.5
249.15051	3.0
251.48567	1.9
301.28915	4.2
319.22455	2.1
319.29993	12.6
347.33255	14.4
373.30960	4.6
399.36627	2.3
417.37137	17.2
427.35910	3.2
445.36832	56.9
463.37967	41.6
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	Unknow
Peak:m/z	Relative Intensity
53.67186	2.0
55.05511	15.3
57.07079	40.5
67.05495	8.8
69.06790	1.9
69.07077	24.3
71.08639	28.3
71.55984	2.2
79.05492	7.4
81.07056	20.6
83.08611	17.0
85.10192	14.9
89.08171	2.0
91.05481	4.1
93.07021	8.2
95.04961	2.8
95.08600	19.1
97.06547	6.4
97.10172	9.1
99.04445	3.6
99.11693	2.0
104.21937	2.2
105.07024	9.4
107.04974	2.4
107.08583	8.5
109.06519	14.4
109.10137	10.1
109.25426	2.1
111.08105	3.0
111.11717	6.2
119.08598	3.9
121.10137	6.7
123.08100	13.6
123.11690	4.7
125.06013	11.4
127.07555	46.4
131.08603	3.3
135.08043	4.7
135.11710	3.9
137.05983	5.9
137.09631	3.8
139.07547	100.0
147.11639	2.8
149.05995	4.2
149.09621	2.5
151.07524	9.4
151.11189	2.2
161.02345	4.9
163.07550	3.9
165.09059	2.9
167.07053	8.6
169.02621	4.3
169.08685	2.8
177.09096	19.2
179.06946	3.7
233.46637	2.1
301.28842	5.3
319.29968	14.3
347.33035	20.3
373.30914	5.3
399.36160	5.0
417.37405	25.0
445.36932	45.2
457.84262	2.3
463.37915	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.05308	1.5
55.05516	19.8
57.07082	12.1
65.03934	2.4
65.12765	1.6
67.05511	14.8
69.06728	3.0
69.07073	33.1
69.31884	5.0
69.32298	8.5
71.05791	1.6
71.08628	6.7
79.05489	9.4
81.07066	29.3
81.76859	1.4
83.04999	2.4
83.08618	22.8
83.23727	1.6
85.10184	5.9
91.05482	4.7
93.03900	1.5
93.07064	8.1
95.05004	2.1
95.08615	38.3
97.10185	14.4
98.20805	3.8
105.07024	8.2
107.08582	11.2
109.06495	2.2
109.10155	15.4
111.08053	2.6
111.11720	10.4
118.29413	1.6
119.08592	5.4
121.10175	4.0
123.08082	17.1
123.11740	9.5
125.02285	1.8
125.13267	3.1
127.07573	2.9
131.08627	2.4
133.06490	19.0
133.10129	4.9
135.08060	4.4
135.11700	2.7
137.09631	13.1
137.13269	4.2
139.03899	4.3
139.07558	4.0
141.09164	2.1
145.10085	2.9
147.11707	2.7
149.09605	2.8
149.13155	2.1
151.03870	5.8
151.07547	46.0
151.14844	3.2
153.05553	2.1
153.09131	5.1
159.11761	2.1
161.13245	1.9
167.07065	2.9
169.08617	100.0
171.11690	2.6
173.13297	2.8
179.03410	2.7
181.04967	10.3
181.08588	3.0
197.04466	3.7
207.13884	2.1
273.25726	1.8
403.35678	4.5
409.34891	2.2
417.37497	7.8
427.35913	8.3
445.37256	3.2
463.21265	1.9
463.32050	3.6
463.38644	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	463.342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91887	0.7
55.01861	3.7
55.05496	2.9
57.07077	13.1
59.05003	5.5
67.05486	2.4
69.07066	6.3
71.04981	1.2
71.08631	10.5
71.56269	1.5
79.05489	1.3
80.55608	0.8
81.03435	0.8
81.07071	4.4
83.04978	1.2
83.08624	4.2
85.10188	6.7
86.88329	0.9
87.16100	0.8
88.58739	0.9
90.96836	0.9
91.05463	0.9
93.07037	2.4
95.04974	2.3
95.08611	3.8
97.02906	7.4
97.10164	3.3
99.04473	1.1
99.11754	1.1
107.08595	1.2
108.46573	0.8
109.02890	8.8
109.10165	1.3
111.11718	1.5
115.03927	3.0
117.09136	1.2
121.10127	1.0
123.04417	1.0
123.08057	0.8
123.11642	1.2
125.05997	1.1
131.08566	1.1
133.10141	1.1
135.11713	0.8
137.05943	1.9
139.03917	2.6
139.07535	3.2
145.10074	1.6
147.32463	0.8
149.05951	1.8
151.03914	100.0
152.04269	1.0
153.05424	1.4
159.11768	0.8
161.02303	1.3
165.05391	1.3
167.03386	2.2
167.07080	1.2
169.04950	1.6
177.05472	1.2
177.09109	5.9
179.03410	46.2
179.06958	1.5
181.04898	2.1
185.04472	2.3
195.10081	0.8
197.04483	29.5
203.10655	1.0
277.17807	0.8
399.36606	1.4
403.31604	1.7
403.36136	1.0
417.37253	0.9
427.36169	1.5
445.37308	4.3
463.34082	31.5
464.34244	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
53.03961	4.3
55.05519	22.3
55.85851	2.0
57.07065	8.7
63.05472	1.9
67.05522	10.6
67.10683	2.2
69.07075	23.3
69.79185	2.0
69.83006	10.4
71.08638	3.4
76.09396	2.3
79.05497	6.6
81.07066	19.2
83.04992	44.8
83.08636	14.1
85.10189	3.4
91.05492	7.3
93.07048	17.9
95.05004	4.1
95.08613	16.9
95.56131	2.0
97.10170	4.6
99.04501	2.5
99.08118	2.7
105.07013	5.6
107.08620	12.7
109.06541	4.3
109.10188	10.2
111.08105	7.1
117.07066	2.8
119.08601	7.4
121.06519	30.8
121.10124	5.9
123.08078	5.0
123.11745	3.5
125.06060	2.3
125.09641	2.6
127.07568	10.2
131.08569	2.8
133.10133	4.9
135.08066	16.8
135.11713	3.0
136.66728	2.4
137.06007	4.6
137.09648	7.8
139.07549	69.8
145.10110	2.6
149.09630	5.9
151.07683	2.5
153.09128	9.1
163.07561	16.4
165.09129	9.8
167.10681	2.1
169.08630	5.1
171.13863	4.9
175.11136	2.5
179.57066	1.9
181.08614	20.7
181.12196	5.3
187.91406	2.5
191.10765	3.0
191.14360	2.3
193.24098	2.0
195.10234	2.8
195.13890	3.1
209.11670	2.6
223.13626	2.1
237.14987	2.8
251.16437	3.2
268.44293	2.5
293.20959	2.3
307.22809	4.6
307.62823	2.0
316.49463	2.4
412.89822	3.1
445.36801	70.8
463.32800	3.6
463.37897	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01869	3.7
55.05515	8.6
57.06830	1.0
57.07083	15.4
65.03951	1.2
67.05508	4.2
69.03433	0.7
69.06726	1.2
69.07077	18.0
71.08644	9.5
71.29540	0.9
77.03940	1.1
79.05498	5.8
81.03403	2.1
81.07077	5.8
83.04984	2.2
83.08628	9.5
85.10191	5.9
91.05467	3.1
93.07041	2.9
95.04972	3.5
95.08592	4.5
97.02895	5.2
97.10181	6.6
99.04456	1.3
105.03398	4.3
105.04536	0.8
105.07025	1.9
107.04964	11.3
107.08593	2.0
109.02880	7.3
109.06512	1.9
109.10147	3.0
111.04414	1.8
111.11715	3.9
115.03922	2.0
119.08593	2.9
121.02869	1.8
121.06538	1.6
121.10158	1.0
123.04443	4.2
123.11730	1.0
125.02368	17.7
125.06017	1.5
125.13303	2.1
131.08549	1.4
133.02855	5.0
133.10172	1.7
135.04436	13.8
135.08070	1.4
137.02335	1.3
137.05974	3.1
139.03885	1.9
143.08617	0.9
145.10118	1.4
147.08066	1.5
147.11684	0.9
149.02380	1.0
151.03918	16.6
151.07538	1.1
152.22226	0.8
153.05481	7.4
159.11754	0.7
161.02362	11.3
161.05952	1.3
161.09644	1.4
163.07494	1.2
165.05502	3.2
165.07579	0.7
165.09050	1.0
167.03423	3.0
167.04768	0.7
167.06952	0.8
169.05002	1.1
169.66202	0.7
171.11711	0.8
175.07536	1.0
177.09106	1.2
178.98454	0.8
179.03413	14.4
179.07069	1.5
181.05009	1.3
185.04462	6.2
189.09151	1.3
191.10707	1.3
193.05052	1.0
193.08589	1.8
197.04475	100.0
198.04761	1.6
203.10664	1.2
205.12242	0.8
207.10193	0.9
211.06044	6.7
217.12404	0.9
221.08145	1.1
221.11679	1.3
225.07610	3.2
225.81908	0.7
231.10185	0.8
235.09639	1.3
235.13319	1.3
237.47144	0.7
239.09196	4.7
253.10733	6.1
267.12317	5.7
281.13861	3.6
295.15503	3.6
309.16885	3.8
319.19339	0.9
323.15256	0.7
323.18411	4.2
337.20065	4.4
351.21774	3.9
365.23389	2.2
379.24890	1.4
393.26266	2.5
403.35300	1.1
407.27893	2.8
417.33438	1.6
445.36673	2.3
463.34094	21.6
474.28598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.8
52.97623	0.6
53.03959	1.5
55.01870	4.3
55.05514	9.7
57.07080	15.3
59.04998	0.5
65.03938	0.9
67.05502	3.0
69.03434	0.9
69.07071	16.7
69.53239	1.0
69.53637	3.2
71.08640	13.3
73.43073	0.6
77.03912	0.6
79.05502	5.1
81.03440	2.0
81.07059	6.0
83.04990	0.8
83.08619	10.5
85.10184	6.9
89.06039	1.1
91.05504	2.4
93.03456	0.6
93.07060	2.0
95.04984	2.5
95.08608	5.0
97.02891	5.0
97.06552	1.0
97.10168	9.4
99.04478	1.5
99.11759	0.6
105.03400	5.1
105.07026	3.6
107.04955	8.3
107.08617	1.8
109.02892	7.9
109.06536	1.9
109.10178	2.6
111.04457	1.0
111.11749	4.6
112.99998	0.7
115.03944	2.7
117.07082	0.8
119.04956	0.8
119.08591	2.3
121.02898	1.6
121.06542	1.8
121.10192	1.6
123.04443	3.4
123.08105	0.6
123.11752	1.1
125.02361	17.5
125.06005	2.5
125.13299	1.5
131.08574	1.2
133.02863	5.0
133.06490	0.8
133.10143	1.7
135.04414	14.7
135.08084	1.4
135.11708	0.5
137.05994	4.7
137.09642	0.9
139.03929	0.8
139.07535	0.6
141.05515	0.7
143.08626	0.8
145.10126	1.6
147.04457	0.6
147.08055	1.2
147.11682	0.9
149.02406	1.3
149.05975	1.4
149.09645	0.9
151.03920	17.2
151.07559	2.3
153.05463	5.3
155.18100	0.6
157.10204	0.9
161.02361	10.6
161.05969	1.5
161.09642	2.0
161.13283	1.0
163.07552	1.6
165.05501	2.5
165.09215	0.8
167.03459	2.7
167.07013	1.3
169.02644	0.9
169.05095	1.2
171.11810	0.8
175.07561	1.0
175.11198	1.5
177.09140	0.8
177.12796	0.8
179.03400	14.9
179.07069	3.9
181.05013	1.2
185.04459	6.2
189.09145	1.6
191.10750	1.0
193.04973	1.0
193.08592	1.6
197.04465	100.0
198.04926	0.7
203.07008	0.6
203.10683	1.7
207.10083	0.8
211.06062	6.2
221.07953	1.0
221.11682	1.0
225.07539	3.6
235.09683	1.3
238.07074	1.1
239.09178	3.3
249.11226	1.0
253.10666	5.9
267.12222	4.3
281.13858	3.8
295.15399	3.0
309.16934	3.4
319.19101	0.7
323.18585	4.0
337.20035	4.2
351.21564	3.5
365.23175	2.7
379.24686	2.1
393.26230	2.4
398.05853	0.6
399.32416	0.9
403.35724	2.8
407.27872	2.3
417.33466	1.8
427.32184	0.7
445.36957	1.0
463.33972	22.1
464.34247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
55.01882	1.7
55.05268	1.2
55.05515	17.6
56.35898	0.6
56.55905	0.9
57.03422	2.8
57.07091	3.6
61.21038	0.6
65.03931	1.5
65.25951	0.8
67.05505	24.7
69.03398	0.8
69.07071	20.3
69.31622	6.7
69.96191	0.7
71.04984	1.5
71.08624	1.3
78.64008	0.7
79.05494	20.5
80.81990	0.6
81.06580	1.3
81.07056	25.8
83.04964	2.0
83.08617	9.0
85.02960	0.7
85.06545	1.2
91.05483	26.4
93.07046	22.9
95.01313	1.4
95.04955	3.1
95.08607	13.6
97.06532	3.4
97.10156	3.4
98.21517	1.2
99.00822	9.2
99.04453	2.1
99.08128	0.8
103.05440	0.9
105.07031	22.5
107.04948	2.5
107.08586	9.4
109.02811	0.8
109.06508	3.3
109.10163	5.9
113.02351	2.2
115.05433	1.3
117.01854	1.2
117.07012	11.3
118.41206	0.8
119.04958	1.4
119.07781	1.3
119.08581	15.0
121.06490	3.0
121.10132	7.8
123.04397	1.5
123.08089	1.9
123.11713	1.1
125.05984	1.0
125.09585	1.0
128.06247	1.7
129.07002	6.4
130.07771	0.9
131.08572	17.2
133.06459	1.7
133.10132	7.2
135.04431	0.9
135.08035	3.9
135.11638	3.4
137.05943	1.3
137.09604	1.2
141.06992	2.4
142.07750	0.8
143.08549	5.8
145.06476	1.9
145.10123	11.6
147.08052	2.1
147.11673	3.2
149.05916	1.5
149.09602	2.4
149.13242	2.9
151.11171	1.0
153.05464	2.4
153.06882	0.7
155.07411	0.7
155.08537	4.8
157.10103	5.5
159.08049	1.8
159.11697	6.4
161.09619	1.3
161.13284	1.7
163.07565	3.0
167.07118	0.9
167.08531	0.9
169.10172	4.4
171.11684	4.7
173.09702	0.9
173.13295	2.3
175.07530	1.0
175.11102	0.8
177.05450	1.3
177.09106	2.1
177.12788	1.3
181.04971	14.2
181.10181	2.6
183.06445	1.7
183.11745	3.6
185.13269	1.7
187.11174	1.3
187.14709	1.2
189.09116	1.5
191.07072	1.6
191.10732	1.4
195.06543	34.4
195.11673	1.9
195.13751	0.9
197.13269	2.4
199.14789	1.6
205.08620	1.2
205.12239	1.1
209.06047	0.9
209.08081	18.1
209.09937	1.4
209.13289	1.1
211.14835	1.9
213.12737	1.1
219.13808	1.3
221.13152	0.9
223.09642	16.5
223.14841	0.9
225.16360	1.7
233.15366	1.0
235.09677	0.9
237.11209	15.0
245.15329	0.8
247.17082	1.1
249.11188	1.5
251.12784	9.7
255.17551	0.8
259.17004	1.4
261.18484	1.4
265.14386	5.7
265.70126	0.7
271.16772	0.9
273.18500	1.3
275.20178	0.8
279.15921	1.9
287.20102	0.8
291.15512	0.8
293.17377	1.5
300.36401	0.7
307.18976	2.0
319.18936	1.2
321.20419	1.3
325.25198	3.1
335.23300	2.1
343.26309	6.0
353.24799	12.4
371.25775	12.7
389.26791	12.3
445.28464	13.7
445.34039	3.9
463.34494	100.0
464.34589	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	463.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01883	6.1
55.05516	37.1
57.03437	7.6
57.07061	4.7
59.04991	2.8
65.03934	5.9
66.52410	2.6
66.61836	2.5
67.05509	95.7
67.20180	2.3
69.03439	3.2
69.07078	32.1
70.06607	5.5
71.05000	8.9
71.08633	2.9
71.35975	4.0
72.08184	2.7
79.05499	74.5
81.03428	4.1
81.07063	92.6
83.04980	6.7
83.08627	15.8
84.08141	3.1
85.06562	3.8
91.05486	100.0
93.06469	5.4
93.07050	85.5
95.04980	14.4
95.08616	45.4
97.06535	13.2
97.10188	6.9
99.04400	3.4
99.08090	5.3
102.09230	2.5
103.05505	4.1
105.07039	88.7
107.04944	7.6
107.08606	32.1
109.06549	14.8
109.10142	25.6
111.08073	6.3
112.99986	2.8
115.05446	6.0
117.07024	48.0
119.08585	63.4
121.06483	12.2
121.10143	26.7
123.08101	6.0
123.11690	4.6
125.09662	4.2
128.06204	5.4
129.07021	30.0
130.07826	3.4
131.08580	74.3
133.06491	10.3
133.10144	38.6
135.08058	9.1
135.11681	14.2
137.09583	4.0
141.06990	13.0
142.07771	5.6
143.08568	30.6
145.06479	5.8
145.10129	47.4
147.08073	10.8
147.11705	13.2
149.09634	10.6
149.13258	7.7
151.11266	4.9
155.08540	14.8
157.10144	21.2
159.08092	3.1
159.11694	22.8
161.09566	6.2
161.13235	6.9
167.08513	5.3
169.10161	16.0
170.54716	2.6
171.08031	3.9
171.11702	15.8
173.09615	5.1
173.13254	10.3
175.11244	3.6
177.12727	5.0
179.14323	9.8
181.10158	7.5
183.11725	10.5
185.09627	4.0
185.13292	6.2
187.11160	5.2
187.14819	4.7
195.11700	6.4
195.83011	2.9
197.13329	7.6
199.11230	4.5
199.14841	6.3
201.12775	3.2
201.16237	3.1
209.13249	6.4
211.14803	7.4
213.12595	2.8
213.16490	4.1
217.15942	3.5
219.13876	5.2
219.17389	3.8
223.14795	5.6
225.16241	4.6
233.15253	5.8
235.17046	3.3
243.17482	3.5
247.17006	6.2
253.42743	3.0
255.17526	2.6
261.18594	3.9
269.18933	3.2
271.16904	3.2
273.18518	3.5
277.21588	3.4
325.25327	10.3
335.23584	15.2
343.26300	20.7
351.25214	5.9
353.24750	51.6
359.07361	2.9
371.25851	66.5
389.26883	60.7
409.61072	3.0
427.28391	6.2
445.29517	84.7
463.30594	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01869	9.1
55.05261	3.1
55.05511	31.1
57.03430	11.4
57.07080	3.5
65.03941	6.6
67.05508	77.6
69.03428	4.8
69.07067	28.3
70.98452	2.4
71.05000	5.5
71.35706	2.7
77.03936	3.1
79.05010	2.5
79.05495	64.0
81.03411	6.4
81.07057	82.1
83.04993	5.6
83.08614	16.0
85.06518	5.0
91.05484	90.5
93.07045	61.1
95.01324	4.0
95.04962	14.5
95.08610	53.5
97.02888	5.5
97.06525	8.1
97.10154	6.2
103.05496	3.7
105.07037	77.0
107.04949	8.2
107.08593	34.9
107.80474	2.8
109.06512	12.8
109.10153	21.6
111.08082	7.1
115.05423	5.2
117.07022	42.5
117.98988	2.4
119.08578	49.1
121.06483	10.5
121.10148	24.3
123.08051	3.5
123.11681	6.5
125.09639	2.8
128.06181	6.6
129.06999	23.6
130.07703	3.2
131.08568	62.7
133.06505	4.8
133.10139	33.6
135.08041	8.4
135.11678	8.7
137.09621	4.5
141.06990	8.4
143.08566	26.8
145.06487	4.1
145.10138	38.2
147.08028	8.0
147.11694	10.2
149.09634	7.0
149.13255	6.9
155.08588	14.7
157.10158	15.5
159.08046	5.2
159.11656	14.8
161.09599	5.0
161.13295	5.8
163.11212	4.2
167.08607	5.4
169.10150	10.6
171.11699	12.5
173.09616	3.5
173.13329	8.5
181.10118	9.0
183.11708	9.8
185.13301	6.5
187.11374	2.6
187.14861	6.9
189.12814	3.7
195.11740	5.2
197.13237	8.2
198.94315	3.1
199.14850	5.4
203.14220	3.3
209.13330	4.9
211.14893	8.1
215.14401	4.1
217.15860	2.9
223.14888	4.7
225.16391	2.6
231.17503	3.7
233.15352	6.1
241.15793	4.3
245.15448	3.1
247.16931	4.5
255.17447	6.7
259.16904	5.0
325.25339	10.6
335.23523	12.1
337.27423	5.3
343.26282	21.0
353.24808	41.8
361.27472	3.4
371.25797	62.1
389.26855	52.0
427.28381	5.3
445.29510	100.0
463.30536	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01869	1.7
55.05272	1.3
55.05518	21.2
57.02372	1.0
57.02647	0.9
57.03420	4.7
57.07065	3.9
57.54609	0.9
59.50566	0.9
65.03945	2.1
67.05507	36.1
69.03430	1.5
69.06725	1.3
69.07075	22.4
69.85983	4.7
70.06522	0.9
71.04976	2.3
77.03957	1.0
79.05060	1.8
79.05502	28.1
79.05964	2.0
81.03398	1.7
81.07063	34.4
83.04990	2.9
83.08622	8.7
85.06516	1.9
85.10130	1.2
91.05486	34.3
92.05869	1.1
93.07052	29.7
95.01303	1.4
95.04981	5.0
95.08619	20.5
97.06522	3.0
97.10163	4.9
99.00814	6.7
99.04436	2.7
101.76232	1.1
103.05473	2.5
105.07040	33.2
107.04945	4.0
107.08602	14.6
109.06507	4.7
109.10176	8.7
111.08080	2.3
113.02361	1.8
115.05431	2.2
117.07027	14.5
119.08591	21.2
121.06518	4.8
121.10147	10.3
123.04420	1.7
123.08054	2.3
123.11728	1.3
128.06227	2.6
129.07007	12.2
130.07774	1.4
131.07579	1.8
131.08578	25.5
133.06485	2.1
133.10124	14.1
135.04379	1.2
135.08054	3.6
135.11702	5.1
137.09647	2.3
141.06970	4.4
142.07762	1.5
143.08565	9.8
145.06505	1.7
145.10127	17.1
147.08057	3.1
147.11702	3.3
149.06046	1.2
149.09631	3.1
149.13269	3.8
151.07498	1.1
151.11226	1.6
153.05486	3.2
155.08562	5.7
157.10150	7.7
159.08070	1.7
159.11681	7.8
161.09512	2.0
161.13220	2.6
163.07573	2.3
163.11226	2.1
167.08551	1.7
168.09338	1.2
169.10100	3.8
170.08755	1.0
171.08113	1.7
171.11676	4.5
173.13269	3.1
175.07626	1.2
177.05417	2.1
177.09120	1.2
177.12685	1.9
181.04971	13.9
181.10078	2.5
182.10928	1.2
183.06535	1.3
183.08020	1.2
183.11674	3.3
185.11720	1.1
185.13243	3.7
187.11177	1.6
187.14853	2.8
189.09135	2.0
194.23793	1.1
195.06546	29.7
195.11690	2.9
197.13258	3.1
199.14822	2.7
201.12735	1.5
205.08516	1.3
209.08138	17.9
209.13284	2.7
211.14792	3.3
215.14261	2.5
219.13863	1.8
223.09665	18.4
223.14693	2.0
225.16467	2.1
233.15344	1.9
235.09431	1.2
237.11256	14.9
237.16617	1.6
243.17497	1.4
247.16881	2.0
249.11310	1.5
249.51166	1.1
251.12766	8.8
259.16980	1.5
261.18585	1.7
265.14307	4.6
273.18564	2.0
279.15863	1.4
293.17447	2.1
321.20337	1.3
325.25247	3.2
335.23450	4.2
343.26392	7.2
353.24796	17.6
361.23767	1.0
371.25821	21.0
372.26270	1.1
389.26889	19.8
427.27957	1.7
445.28818	27.3
463.34668	100.0
464.34570	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1384
Annotation	Artoindonesianin C
Peak:m/z	Relative Intensity
53.03942	0.6
55.01859	0.6
55.05497	1.4
57.02561	0.6
57.03427	1.1
67.05504	4.7
69.03419	0.7
69.07076	0.8
69.78469	2.5
70.06572	0.5
72.08147	1.3
79.05486	3.3
81.03406	1.0
81.07061	4.7
83.04977	0.8
83.08643	0.9
85.02870	0.8
91.05485	5.6
93.07059	4.0
95.01337	0.8
95.04945	1.8
95.08592	2.3
97.06530	0.5
97.10187	0.6
98.21445	0.8
102.23724	0.5
103.05463	1.8
105.07043	5.2
107.04941	1.5
107.08573	2.3
109.10144	2.0
115.05389	0.6
117.07034	0.6
118.04149	2.2
119.04958	3.4
119.08590	1.0
121.06452	1.0
121.10106	1.1
123.00774	3.0
123.04497	0.7
123.08092	0.5
125.09578	0.6
128.06230	0.9
131.04909	2.4
132.05687	0.7
133.06477	3.7
133.10118	0.9
135.04428	1.6
135.11693	0.6
137.02341	0.7
137.05997	1.3
138.03142	0.8
143.08627	0.6
146.03632	8.2
147.04410	3.7
148.05185	1.3
149.13280	1.1
152.01022	2.0
153.01878	0.6
153.05495	5.2
156.05688	0.7
156.60898	0.5
157.06467	0.7
161.06006	6.6
161.13159	0.6
163.07466	1.3
165.09081	0.6
168.05678	1.2
168.92430	0.5
170.02119	0.8
171.08075	8.2
173.11775	0.6
181.06444	0.9
183.08047	1.4
184.05202	1.8
197.06210	0.7
199.07500	1.1
209.05965	3.5
211.07593	1.2
212.04630	1.5
216.15262	0.5
223.03946	0.8
227.06985	1.0
229.08575	2.2
229.14433	0.6
239.07166	0.8
240.04147	1.4
240.07805	3.3
241.04979	1.1
241.55585	0.5
242.05550	0.6
252.04166	0.6
253.04851	0.8
255.06532	100.0
256.07028	3.3
269.07922	0.6
270.05234	1.0
277.21405	0.8
281.08069	1.6
283.06024	36.2
284.06790	17.0
285.07559	20.4
295.06015	0.8
297.11160	1.7
351.25128	0.7
385.10666	0.6
433.12900	6.1
445.12842	36.2
446.13141	1.4
463.13846	56.4
464.14194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
52.14372	0.6
55.01862	0.7
57.03434	1.6
67.05488	0.8
69.03435	1.4
69.07076	1.0
70.00469	1.6
70.00868	1.0
70.06592	2.1
72.08155	1.8
76.02202	1.9
81.03436	3.6
81.07066	1.4
85.02910	2.3
85.06545	0.7
86.09696	1.0
91.05492	1.3
93.07063	0.8
95.04972	1.4
97.02890	1.5
97.06537	1.0
98.21510	0.6
105.03385	0.7
105.07048	0.9
107.04982	0.8
108.60655	0.6
109.06544	0.9
111.08145	0.6
121.02821	0.6
121.10103	1.0
127.03927	1.2
128.07143	0.8
136.07591	1.1
137.02356	9.7
141.06918	1.3
147.04399	1.7
150.03104	1.2
154.08618	1.8
157.06467	3.0
169.12268	2.0
171.04352	0.8
179.04881	1.8
185.05960	2.0
187.03981	0.8
188.04727	1.0
189.05432	2.1
193.04932	0.8
193.12303	0.9
197.05986	4.6
199.03882	0.9
209.11952	0.6
212.04715	0.9
213.05461	17.0
213.07445	1.0
215.03389	0.9
225.05466	1.1
227.07120	2.1
240.04353	0.9
241.04990	15.2
245.08203	1.8
255.06546	2.5
264.55682	0.7
267.15976	1.3
268.03757	1.4
269.04471	15.1
283.06058	1.2
283.15616	0.8
285.17102	0.8
286.04642	4.8
301.07083	100.0
302.07440	2.8
321.05734	0.6
435.99530	0.8
463.21954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.5
57.03427	1.6
67.05491	2.1
69.03416	4.7
70.06599	7.5
70.46519	3.9
71.49365	1.1
72.08157	5.7
73.02844	1.3
81.03399	3.6
81.07071	2.4
84.04509	1.7
84.08131	4.3
85.02908	14.2
86.09705	3.5
87.04457	2.8
88.03997	11.7
89.06036	93.6
91.05477	2.7
93.07039	2.3
95.04975	4.1
95.08659	1.2
97.02910	7.6
98.21533	1.1
99.04438	1.9
105.07037	3.1
106.02915	1.5
106.05033	1.5
107.07059	3.2
107.08598	1.5
109.02877	3.4
109.06499	1.8
110.06084	1.6
111.04388	1.3
117.07038	1.2
119.04918	1.3
119.08575	3.2
120.08041	1.6
121.06511	2.7
124.03986	2.1
127.03918	3.6
129.10202	1.4
130.04971	1.2
131.08650	2.4
133.08606	47.9
135.08040	4.1
136.07570	3.1
137.02333	2.4
137.06000	1.5
138.05502	3.9
143.08620	1.5
145.04973	3.2
145.10139	2.8
146.06273	1.3
147.04417	2.1
147.08020	1.5
150.09114	2.2
159.08044	1.9
159.11691	1.6
161.09654	2.5
164.07024	2.9
175.07521	3.9
175.11151	2.4
177.05550	1.4
177.11230	19.6
185.13297	1.7
187.11086	2.2
189.09126	1.3
195.12267	3.3
196.09715	2.2
199.11224	1.6
201.12558	1.4
203.10672	2.8
221.13783	1.6
239.14891	3.0
247.13260	8.5
265.14340	33.0
278.10510	1.3
282.08130	1.4
283.17517	100.0
389.16467	1.4
462.14114	2.0
463.16971	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	462.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41800	0.7
54.45551	0.7
55.01868	1.0
67.59696	0.8
69.03424	2.6
70.06585	2.4
70.34230	2.0
70.34617	1.5
72.08162	2.3
81.03413	2.1
84.08143	2.7
85.02907	8.4
86.09739	1.1
87.04465	2.4
88.03992	1.4
89.06036	94.1
91.05499	1.1
93.07030	1.7
95.04989	1.6
97.02885	3.7
105.07069	0.9
107.07075	2.1
107.55419	0.9
109.06522	0.8
119.08578	1.3
121.06501	1.2
127.03926	1.1
133.08607	49.2
135.03349	0.8
135.08063	1.2
136.07564	1.2
137.02367	0.8
145.10188	1.1
149.41397	0.7
151.09692	1.5
159.11691	1.3
164.07013	1.4
175.07619	1.9
177.11217	19.1
195.12300	3.4
221.13765	1.4
239.14928	4.2
247.13371	3.3
265.14362	13.5
283.17514	100.0
284.17926	1.2
301.07025	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	462.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.2
55.01868	3.4
55.05514	17.7
57.03427	3.5
57.07071	8.3
58.99581	2.8
61.02930	4.4
61.42117	1.9
65.03931	5.0
67.05508	28.0
69.03438	13.8
69.07069	29.9
70.06600	17.7
70.57336	2.1
71.04993	29.4
71.55720	4.3
72.08156	10.3
73.02898	2.9
74.79129	1.9
76.02248	4.4
76.61558	2.0
78.91675	1.9
79.05497	35.8
80.05008	2.6
81.03431	11.3
81.05778	2.6
81.07063	100.0
82.07359	2.8
83.04984	6.5
83.08645	10.4
84.04520	6.6
84.08139	11.9
85.02917	12.1
85.06532	7.5
85.08472	3.0
86.09706	8.1
86.99036	2.7
87.36234	2.3
88.02222	4.9
88.03992	3.4
91.05486	25.0
92.05000	4.7
93.07052	57.7
95.04980	8.7
95.08054	4.1
95.08617	52.6
96.08134	6.0
97.02908	13.7
97.06546	10.7
97.10173	9.3
98.06053	2.6
99.04436	2.8
99.08115	7.3
100.11262	7.9
103.05462	21.3
105.00121	2.6
105.07032	51.4
105.56256	2.4
106.06557	35.9
107.04969	4.7
107.08596	73.1
107.09295	3.9
108.08126	12.2
108.08859	3.0
109.02853	4.2
109.06535	13.2
109.10162	57.8
111.04411	3.0
111.08083	7.7
113.09647	7.6
114.45114	2.0
117.07039	10.7
119.04953	2.3
119.08588	51.8
120.08135	4.6
120.15189	2.1
121.10146	45.8
121.11020	2.6
122.02736	18.5
122.06070	4.0
123.06841	4.3
123.08085	6.4
123.11706	16.7
124.07575	21.0
125.09643	26.8
127.03916	4.8
127.11195	16.4
130.07915	2.3
131.04933	77.1
131.08566	14.0
133.10129	48.7
134.02695	4.3
134.06026	19.8
135.11716	22.7
136.07553	5.0
137.05963	3.4
137.09659	14.8
137.13292	4.3
139.11162	2.3
141.07007	2.3
142.07843	2.5
143.08643	4.0
143.10672	44.4
143.11784	2.3
145.10132	48.2
147.04431	12.2
147.11714	28.9
149.13264	21.2
151.11182	17.2
152.07057	65.8
153.12775	5.2
154.08658	4.0
157.10129	13.3
159.11688	36.9
161.09557	2.8
161.13269	10.9
163.11221	13.0
163.14833	5.9
170.08124	41.6
171.11678	8.3
173.13268	14.8
175.14876	5.4
177.16399	5.6
179.14374	3.2
185.13260	7.9
187.14851	8.9
189.16364	10.9
191.14189	2.3
193.15918	6.1
195.17415	4.5
196.16867	2.6
199.14838	10.3
201.16403	56.0
202.16833	2.4
205.15840	13.9
206.08681	2.4
210.14920	3.2
213.16347	8.6
215.17918	5.5
216.10233	3.7
217.15868	2.6
219.17458	8.2
223.16910	33.4
227.12857	9.3
227.18001	5.2
258.05176	2.7
269.04382	2.8
269.22668	14.3
271.08301	3.0
283.15369	11.0
284.13306	2.5
286.04807	6.2
287.23703	26.3
299.08987	3.0
300.09409	8.1
301.07059	22.0
305.24719	34.2
306.25290	2.7
371.25903	2.6
402.12024	3.0
408.25882	15.4
426.26755	59.8
444.16718	17.2
444.27820	7.9
445.15735	2.5
462.05463	2.7
462.18329	24.8
462.29105	5.0
462.34970	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.3
55.01862	12.1
55.05513	42.5
57.03439	13.1
65.03926	6.7
67.05177	4.7
67.05511	73.6
69.03425	7.1
69.07073	30.4
71.05002	5.2
71.55377	3.6
72.08156	5.7
77.03936	3.0
79.05062	5.1
79.05501	70.8
81.03399	8.6
81.07068	89.3
82.73256	2.5
83.04977	11.0
83.08614	23.7
85.02882	4.3
85.06544	7.0
91.05487	100.0
93.07054	61.2
94.59250	2.6
95.04937	17.0
95.08054	4.5
95.08616	58.3
97.02910	6.1
97.06541	10.1
97.10157	7.8
99.04498	3.8
103.05441	8.6
105.03419	3.3
105.07039	76.4
107.04969	22.9
107.08595	31.4
109.06509	12.1
109.10167	20.5
109.46259	2.7
111.08093	5.5
113.06119	2.8
115.05451	11.3
116.06248	2.9
117.07027	61.1
117.14856	2.5
119.04936	6.0
119.08596	46.6
121.06497	18.4
121.10152	15.9
123.08066	9.2
123.11722	3.8
125.06061	2.8
125.09621	7.8
127.03900	5.3
128.06206	16.7
129.07008	62.1
130.07813	3.7
131.04916	3.6
131.08580	68.8
133.06497	15.7
133.10144	21.7
135.08067	10.6
135.11682	7.7
137.09612	7.6
141.06984	18.8
142.07790	9.4
143.08585	46.9
145.06538	16.2
145.10150	31.2
147.08075	16.2
147.11667	12.7
149.09628	14.1
149.13277	3.7
151.07550	3.5
151.11186	4.1
153.05415	3.1
153.07008	4.3
154.07744	5.3
155.08571	30.1
157.06497	7.1
157.10143	31.8
159.08070	12.9
159.11745	17.1
161.09645	8.4
161.13255	4.3
163.11160	4.6
164.66415	2.7
165.07007	6.5
165.09117	22.7
167.08528	12.5
168.09315	4.6
169.10130	25.3
171.08051	9.0
171.11703	19.6
173.09724	6.4
173.13284	10.7
175.11185	5.6
177.12770	6.5
179.08514	6.2
181.10123	11.6
183.11687	18.7
185.09581	4.3
185.13219	16.6
187.11212	4.2
187.14798	4.1
189.11194	3.4
189.12761	4.7
193.10179	7.0
193.12320	4.3
195.11713	15.3
197.13284	9.8
199.11206	7.5
199.14851	9.7
207.11745	6.3
209.13271	13.1
211.11211	6.0
211.14790	6.9
213.12717	9.6
215.14325	5.0
217.15919	7.0
221.13326	6.1
223.14844	10.0
225.12683	4.2
227.14410	4.9
229.16037	4.9
233.15327	3.4
235.14874	5.0
239.14313	9.0
241.16013	5.0
243.13763	4.5
243.17400	3.7
245.15407	6.0
253.15814	4.9
257.15387	9.0
259.16962	5.7
267.17227	3.0
271.16858	6.9
285.18478	4.5
299.09296	12.8
323.23694	11.4
333.22278	13.0
341.24753	22.6
351.23239	51.0
369.24271	90.8
387.25333	44.2
407.26096	3.7
425.26819	6.0
443.27963	85.8
461.29001	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2896
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
50.89388	2.4
52.26320	2.3
53.03930	8.6
55.01868	5.6
55.05516	25.8
57.03445	13.9
57.07059	4.0
59.05003	3.2
59.63643	2.6
65.03930	7.5
67.05506	45.8
69.03425	12.8
69.07072	20.0
69.24303	25.4
71.04993	5.1
79.05494	36.9
81.03438	16.9
81.07063	46.6
82.07364	2.5
83.04982	6.6
83.08610	11.2
91.05471	36.6
93.07050	40.4
95.01337	11.8
95.04960	16.0
95.08611	34.9
97.02880	13.3
97.06513	4.6
97.10173	4.8
99.04485	3.8
103.05453	3.4
105.04518	2.7
105.07032	39.5
105.50014	2.3
107.04951	8.9
107.08613	17.1
109.02872	5.1
109.06538	4.9
109.10161	13.0
111.04463	3.2
111.08092	3.9
115.05412	2.8
117.07025	19.1
119.04936	2.7
119.08592	29.7
121.06519	8.4
121.10144	18.2
123.04430	8.3
123.08107	4.5
123.11717	3.7
125.05952	2.3
125.09647	4.9
127.03926	5.2
128.06172	5.7
129.07018	17.7
131.08589	30.1
133.06500	8.1
133.10143	18.1
135.08084	4.3
135.11700	10.3
137.05949	3.0
137.09612	5.5
141.06993	5.8
142.07756	3.6
143.08540	17.9
145.06497	10.7
145.10139	19.2
147.08060	7.9
147.11707	10.5
149.09668	3.6
149.13263	5.5
151.07549	4.1
155.08562	13.5
157.06477	4.7
157.10150	12.5
159.08034	6.9
159.11691	12.7
161.06020	6.0
161.09624	5.7
161.13281	6.1
161.58603	2.7
163.11232	4.6
163.14767	2.8
165.08972	3.6
167.08495	4.0
169.10123	10.4
171.08012	9.7
171.11707	12.2
173.09654	6.5
173.13284	11.3
175.07535	6.7
175.11147	6.3
177.12788	2.7
181.10190	3.8
183.06587	3.0
183.08067	4.5
183.11731	10.6
185.09641	7.8
185.13272	8.8
187.11183	4.5
187.14774	3.8
189.09163	4.2
193.12276	3.1
195.11746	4.9
197.09538	6.7
197.13214	5.5
198.74384	2.8
199.11176	3.6
201.12735	3.2
211.11266	3.8
211.14908	3.9
213.12764	7.3
223.14902	2.9
259.20605	5.3
261.22086	2.6
297.22159	3.5
313.21777	3.4
323.23755	5.2
325.21561	3.5
327.23013	5.0
335.25803	9.2
341.24832	9.3
345.24127	3.3
351.23279	10.0
359.25751	3.3
364.06583	2.5
369.24231	41.1
387.25317	11.5
425.27164	5.6
431.27798	3.0
433.36783	3.0
443.27933	50.8
461.28976	100.0
462.29111	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	3.2
53.03939	6.8
55.01867	11.6
55.05275	3.0
55.05511	38.5
57.03429	13.4
59.04979	4.9
60.16258	3.3
65.03948	3.8
67.05179	5.3
67.05511	90.9
69.03439	4.1
69.07072	32.7
69.28288	28.6
71.04990	5.9
72.08154	4.9
73.76891	3.2
79.05061	5.3
79.05495	75.6
81.03409	8.7
81.06590	4.6
81.07061	84.1
83.04961	10.9
83.08633	25.4
85.06541	7.2
91.05486	100.0
93.07052	75.4
95.04959	23.0
95.08613	48.4
97.06539	14.5
97.10156	13.7
99.08081	5.0
103.05457	9.0
103.21086	2.9
105.07033	65.9
107.04944	14.2
107.08615	34.0
109.06516	10.9
109.10152	24.6
111.08110	7.0
115.05433	14.8
117.07022	60.8
119.08575	47.2
121.02999	3.1
121.06509	11.1
121.10163	20.9
123.08073	8.6
125.09613	9.0
128.06232	18.9
129.07007	65.6
130.07797	4.9
131.04944	5.4
131.08569	65.4
133.06488	12.0
133.10133	33.4
135.08014	13.6
135.11670	13.2
137.09634	6.6
141.07005	24.6
142.07762	9.3
143.08568	59.6
145.06471	19.9
145.10136	36.2
146.07323	3.1
147.08051	11.4
147.11687	12.5
149.09616	12.5
149.10741	5.3
149.13275	5.0
151.11116	4.1
155.08578	38.6
157.06509	5.1
157.10146	24.8
159.08025	12.2
159.11707	20.2
161.09651	7.2
163.11168	5.8
165.06984	3.9
166.07707	4.8
167.08557	14.2
168.09303	5.2
169.10124	25.1
171.07962	7.2
171.11688	21.4
173.13292	7.4
175.11252	6.0
177.12767	9.5
179.08553	10.6
181.10139	21.3
182.10782	3.5
183.11693	10.7
185.13242	12.6
187.11090	5.3
187.14859	7.3
193.10133	4.9
195.11731	17.3
195.13383	3.2
197.13246	12.2
199.11185	4.9
199.14833	10.1
201.12842	7.0
203.14273	3.7
207.11743	5.0
209.13306	9.7
211.11179	4.5
211.14844	8.8
213.12843	5.4
213.16458	4.6
215.14294	10.7
219.11787	7.3
221.13268	13.0
223.14813	11.6
225.12689	5.0
227.14439	4.4
233.13216	3.7
235.14821	10.5
237.16344	4.3
239.14313	10.6
247.16907	3.9
257.15442	7.5
259.16766	5.3
271.16861	9.5
277.17993	3.5
305.22818	3.9
323.23718	13.6
333.22076	19.0
341.24701	13.2
351.23233	51.3
359.25916	3.5
369.24210	60.1
387.25385	28.8
415.28189	5.0
429.34009	2.9
433.29929	3.6
443.27957	75.2
444.28259	5.8
461.29059	86.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88249	1.7
53.03951	12.3
54.27377	1.8
54.37444	1.5
55.01878	10.4
55.05510	17.3
55.75974	1.9
56.33998	2.0
57.02376	1.9
57.03432	6.5
57.07065	3.0
59.05001	3.2
61.02918	5.6
67.05492	7.4
68.99792	4.9
69.03085	2.8
69.03432	46.0
69.06720	2.5
69.07072	35.9
69.27834	1.8
70.05003	7.6
71.04987	9.5
71.08627	1.8
72.08144	2.3
73.02916	7.3
76.41450	1.5
79.05490	4.5
81.03420	40.5
81.07055	23.3
83.05006	8.7
83.08625	7.0
84.08151	2.6
85.02907	73.3
85.06545	12.4
87.00838	26.3
87.75025	1.6
91.03962	2.8
91.05462	3.3
93.07046	13.9
95.04947	1.9
95.08608	31.8
97.02901	21.5
97.06511	6.4
97.10174	8.0
97.51478	1.9
99.04459	17.8
99.08103	19.4
101.02385	2.0
103.05472	4.6
105.01855	19.3
105.07009	3.3
107.04948	2.1
107.08591	19.2
109.02128	2.5
109.02882	43.9
109.06538	2.9
109.10133	12.0
111.08064	2.2
111.11730	6.7
111.73814	1.7
113.09658	7.4
115.03913	2.4
117.01880	3.5
119.08575	2.5
121.10162	24.1
123.11723	7.7
125.09641	6.8
125.13218	1.9
127.03926	70.1
129.01836	5.0
131.04935	4.8
133.06528	2.2
133.10149	2.7
135.11665	11.1
137.13289	14.9
139.11172	6.8
145.04968	20.9
145.10187	1.8
147.02866	5.3
147.11629	2.0
149.13258	4.3
151.14792	1.9
153.12752	13.2
157.12216	1.9
159.02895	23.5
160.10941	1.9
163.07489	2.6
165.09108	2.4
177.16391	55.0
184.03636	2.5
189.03903	2.6
189.95396	1.7
195.17468	54.3
213.03723	2.1
213.18521	38.3
231.05023	14.2
239.06973	1.9
243.10178	3.2
256.07291	2.8
273.86545	2.0
284.06815	18.3
299.09149	100.0
300.09653	2.7
315.62152	2.2
433.86569	1.7
461.23914	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	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
54.16891	1.2
55.01880	6.3
55.05515	7.5
57.03432	4.3
57.07066	1.4
61.02926	3.5
66.34756	1.0
67.05512	23.7
67.38553	1.1
68.99786	2.5
69.03432	19.6
69.07072	12.7
70.12634	4.8
71.04998	53.7
73.02912	3.7
79.05496	4.4
81.03418	22.9
81.07063	12.6
83.04984	1.7
83.08624	19.3
85.02912	45.3
85.03430	2.3
85.06570	1.3
87.00845	18.6
91.03957	1.5
91.05494	1.4
93.07068	5.7
95.03116	1.1
95.08609	8.9
97.02907	14.3
97.06561	1.8
98.21450	1.3
99.04488	8.1
99.08103	1.4
105.01869	12.4
105.07043	3.1
107.08601	7.0
109.02899	17.4
109.06504	1.4
109.10165	100.0
113.09674	3.1
115.03928	1.9
117.01846	2.7
120.91248	1.1
121.10174	7.7
123.11700	7.0
125.09650	2.9
125.13239	1.7
127.03925	31.0
127.11202	75.3
129.01839	3.8
131.08543	2.0
135.11713	6.8
137.06004	1.3
137.13290	5.7
145.04976	13.2
145.10083	1.9
147.02893	2.6
149.05971	1.6
151.07526	2.7
151.14856	2.7
153.12807	1.6
159.02922	10.7
165.09090	2.1
171.30098	1.4
177.16414	17.5
189.04062	1.4
195.17468	41.7
202.84724	1.1
213.04036	1.5
213.18507	78.8
214.18752	1.7
231.05022	6.5
235.79028	1.2
284.07086	1.3
299.06000	1.8
299.09033	6.0
377.95395	1.2
462.72101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.2
55.01873	11.4
55.05511	27.7
57.03444	10.4
57.07074	6.1
59.04998	4.7
61.02920	7.1
65.03954	1.3
67.05498	10.7
68.99799	2.9
69.03430	61.8
69.07069	49.9
70.06586	1.7
70.28535	5.6
71.01337	1.8
71.05000	10.5
71.08627	2.0
73.02917	6.5
79.05522	7.1
79.05904	1.4
81.03420	58.6
81.07056	30.8
81.18132	1.2
83.01342	2.2
83.04987	12.9
83.08604	8.7
85.02908	100.0
85.06537	18.0
86.09711	1.4
87.00831	35.8
89.81828	1.3
91.03989	2.1
91.04935	1.3
91.05476	4.3
93.07053	13.2
95.04968	2.4
95.08610	43.3
97.02890	32.5
97.06549	8.9
97.10167	14.6
99.04458	19.8
99.07479	2.5
99.08095	35.4
101.02393	2.0
103.04015	1.4
104.56976	1.7
105.01871	28.0
105.07029	4.8
107.08592	21.7
108.51021	1.2
109.02884	63.6
109.06511	2.7
109.10154	17.9
111.08091	3.9
111.11717	12.1
113.09652	15.5
115.03935	2.4
117.01862	5.0
119.08612	2.5
121.10149	30.2
123.08060	2.4
123.11691	12.8
125.09649	9.6
127.03918	95.4
129.01796	6.5
133.06476	1.3
133.10123	1.8
135.11688	15.8
137.13272	17.1
139.11182	9.7
145.04971	28.3
147.02893	4.3
147.11642	1.8
149.13272	5.9
151.14851	5.9
153.12755	18.9
157.12224	2.3
159.02895	29.2
159.11783	1.7
163.11208	1.4
175.96194	1.3
177.03947	1.8
177.16391	73.8
178.16678	1.9
189.03920	2.5
195.17453	88.7
196.17749	1.6
196.87819	1.2
213.03952	3.8
213.18500	58.8
219.17427	2.7
231.04984	19.4
237.18425	2.3
249.06200	1.8
258.08316	1.2
269.04498	2.2
280.18591	1.3
299.05493	10.4
299.08701	1.8
461.23755	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	461.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21464	2.1
53.03949	14.9
55.01876	16.9
55.05514	27.3
57.03443	13.1
57.07077	6.8
59.04998	5.2
61.02929	7.5
65.03949	1.9
67.05511	18.0
68.99790	6.4
69.03432	69.4
69.07072	64.4
70.06595	5.4
70.49099	3.6
70.49484	3.9
71.01356	2.0
71.04998	19.2
72.08159	5.1
73.02924	15.3
74.80888	1.8
79.05502	10.8
79.48817	1.8
81.03422	56.9
81.07066	37.5
83.04993	15.2
83.08615	8.7
84.08142	4.3
85.02910	100.0
85.06544	24.7
86.09701	3.0
87.00833	38.0
87.04489	2.2
88.15061	1.8
91.03938	4.2
91.05473	9.3
93.07053	22.0
94.06542	1.8
95.04973	5.1
95.08614	47.9
97.02897	37.9
97.06546	10.8
97.10182	17.3
99.04467	25.1
99.08099	37.2
101.02396	2.0
103.03938	2.1
103.05440	2.3
105.01871	29.5
105.07042	6.2
107.08610	29.1
109.02886	66.1
109.06519	2.5
109.09435	2.4
109.10162	18.9
111.08117	4.5
111.11737	10.9
113.09647	18.5
115.03941	2.0
115.07497	1.8
117.01864	5.2
119.08583	3.3
121.10153	37.0
123.04427	2.7
123.08046	2.5
123.11710	15.3
125.06013	2.3
125.09631	13.3
125.13149	1.9
127.03929	96.0
129.01872	8.5
131.04930	2.6
131.08600	2.1
133.10136	3.4
135.11697	18.8
137.13269	20.4
139.11183	8.6
145.04974	32.3
147.02905	6.5
147.11798	1.9
149.13231	5.4
151.14862	6.6
152.29521	1.8
153.12732	18.4
159.02887	30.4
163.07552	3.0
163.11214	2.2
164.51016	1.8
175.14801	3.5
177.16397	80.9
185.06125	2.2
189.03963	4.1
195.17456	86.7
205.24065	2.0
213.03903	2.5
213.18523	59.3
219.17474	2.1
223.07837	1.8
231.04996	18.1
236.96870	1.7
241.05066	4.4
241.61356	1.9
244.94901	1.8
269.04501	4.9
285.18484	2.3
299.05557	35.2
299.08929	3.6
366.38412	1.9
461.05115	2.4
461.17612	3.1
461.23907	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74575	1.9
53.03945	7.0
54.57870	1.8
55.01871	2.5
55.05501	13.1
57.03427	5.5
57.07066	5.7
59.05008	5.5
67.05514	15.1
69.03435	24.7
69.07076	15.3
70.06599	4.1
70.64900	2.0
70.95649	5.6
71.01341	2.2
71.05001	10.5
71.47766	1.9
72.08171	12.0
73.02905	4.1
74.06083	15.0
79.05493	13.0
80.49284	1.9
81.03415	25.2
81.07056	31.3
83.08612	9.4
84.08139	2.4
85.02437	2.6
85.02914	46.9
85.06523	11.3
85.77844	1.8
86.09715	31.4
87.00835	18.6
87.04462	2.9
88.88343	1.9
89.06030	19.3
90.06355	4.4
91.05478	6.5
93.07047	25.5
94.84325	2.2
95.08611	51.4
97.02888	18.0
97.06537	2.4
97.10175	10.2
99.04465	11.3
99.08091	8.2
101.07114	3.3
105.01864	15.8
105.07008	6.1
107.08599	41.2
109.02884	24.4
109.10159	20.0
109.15836	2.0
111.08091	6.0
111.11695	3.5
114.09151	5.4
115.03997	2.5
119.08575	5.9
121.10149	46.7
123.11707	7.6
127.03920	52.4
129.01790	3.0
133.08652	2.5
133.10139	5.4
134.08994	3.2
135.11708	14.4
136.07585	3.3
137.13249	7.3
139.11186	3.6
142.08630	3.4
145.04979	9.4
145.10107	4.3
147.04413	5.9
147.11699	2.8
149.09592	2.1
149.13275	6.9
159.02959	2.6
161.09647	2.2
164.06984	2.0
165.16466	2.9
175.14862	7.3
177.11130	2.5
177.16400	100.0
183.17421	3.2
187.06042	3.5
187.14430	3.3
193.15730	2.0
195.17447	31.9
197.11748	5.2
201.12378	2.6
204.19258	2.5
213.03928	2.3
213.18494	19.5
215.13795	3.4
217.08221	3.6
225.12364	3.2
226.32396	2.1
231.05011	10.3
231.19568	6.0
243.13411	5.8
243.23877	2.3
375.79727	2.0
389.19357	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	461.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01870	1.8
55.05500	5.0
57.03437	1.5
61.02903	1.2
65.03948	9.8
67.05502	5.7
69.03438	9.7
69.07073	6.2
69.92263	6.8
70.06586	2.6
71.04995	2.7
72.08154	2.3
79.05480	3.6
80.25638	1.2
81.03442	7.1
81.07061	8.3
83.04996	2.6
83.08598	1.8
84.08138	3.6
85.02912	9.8
85.06539	4.5
87.00832	2.2
91.05474	3.6
92.05011	4.3
93.07053	6.5
94.06560	3.2
95.04956	3.2
95.08610	8.8
97.02919	10.7
97.06520	3.4
97.10136	2.0
99.04467	3.1
99.08086	3.1
103.05481	8.1
105.07036	2.9
107.04955	2.5
107.08593	5.7
108.08125	7.2
109.02870	4.6
109.10164	7.0
111.11770	1.6
116.04962	4.0
119.08586	3.6
120.04468	7.0
120.08102	7.0
121.10147	7.7
122.06029	14.2
123.08081	1.6
123.11671	2.0
125.09623	2.1
126.23692	1.4
127.03927	8.7
129.06998	1.3
131.04944	12.9
133.10098	2.2
135.08037	1.6
135.11725	3.0
136.07602	15.3
137.05948	1.8
137.09555	1.6
137.13277	2.0
138.05493	1.8
139.11156	1.5
144.04457	3.6
145.04973	5.6
146.06021	2.9
147.04428	2.5
147.11708	1.9
148.03943	100.0
148.07599	15.3
153.12775	2.0
159.11691	2.1
161.05994	1.7
162.05481	4.6
163.07556	4.7
166.05000	26.6
167.05412	1.4
167.07106	2.2
172.03960	24.0
177.16429	8.2
184.09953	1.8
190.04927	6.5
194.08388	1.6
195.17401	7.0
198.11630	1.5
199.12340	1.5
204.06570	39.2
209.21992	1.2
212.09439	2.6
213.18521	6.9
222.07556	1.3
227.11708	7.5
231.05196	1.4
252.08765	2.4
255.11290	20.8
273.12228	2.0
283.10794	78.6
284.10931	2.0
297.07553	2.7
297.12280	2.0
299.05615	2.2
299.09195	5.1
301.11905	10.1
303.04733	2.2
325.11844	13.6
339.13474	8.4
341.11554	1.6
369.10837	37.9
387.11871	61.5
405.12793	1.9
429.12912	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	461.1442
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.01627	0.1
50.79917	0.2
53.03946	0.3
55.05504	0.4
56.96851	0.1
58.55101	0.1
61.02916	0.2
65.97114	0.1
67.05488	0.6
68.99825	0.2
69.03408	0.7
69.07032	0.5
70.04072	0.2
70.06579	0.5
71.35071	0.2
72.08149	0.3
76.32085	0.2
79.05478	0.5
81.03409	0.4
81.07060	0.9
83.04958	0.2
83.08590	0.2
84.08118	0.1
85.02872	0.5
85.06525	0.2
86.09732	0.2
87.82258	0.2
91.05463	0.5
93.07030	0.7
95.04941	0.2
95.08613	0.7
97.02873	0.5
97.06533	0.2
103.05454	0.2
105.07011	0.7
107.04936	0.3
107.08591	0.7
109.02851	0.3
109.06481	0.2
109.10138	0.6
111.04439	0.2
118.04189	0.2
119.04936	0.3
119.08553	0.5
121.06488	0.3
121.10130	0.6
123.00786	0.3
125.09669	0.2
127.03913	0.4
129.07001	0.3
131.04926	0.3
131.08566	0.2
132.05704	0.5
133.06493	0.4
133.10117	0.2
134.07246	0.3
135.04382	0.3
137.02321	0.3
137.05980	0.5
137.09645	0.2
139.03937	0.2
145.10100	0.3
147.04401	0.2
147.11676	0.3
149.02274	0.2
151.00220	0.2
151.04042	0.2
152.01036	0.8
153.05437	0.2
157.06509	0.1
157.10156	0.2
160.95808	0.2
161.06044	1.0
163.03850	0.4
165.09145	0.5
167.03326	0.2
167.07022	0.2
168.05684	0.4
170.02042	0.4
171.08107	0.2
177.16370	0.5
181.06546	0.2
182.07298	0.5
183.08040	0.9
184.03700	0.8
185.05930	0.4
195.04414	0.1
195.17369	0.1
196.05174	0.4
197.05989	0.6
210.06750	0.4
211.07568	1.1
213.05548	0.8
213.18529	0.2
224.04616	0.3
225.05528	0.3
227.07007	0.8
228.07761	0.7
239.07025	2.5
240.07657	0.2
241.04971	1.4
243.10143	2.4
252.04146	0.5
253.04990	0.5
255.06490	0.7
256.07318	4.5
267.06494	0.3
268.07410	0.2
269.04398	0.7
283.06042	0.9
284.06796	34.1
285.07144	0.9
299.09140	100.0
300.09518	1.9
327.95898	0.2
486.16891	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	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.1
54.91044	0.6
55.01877	8.1
57.03439	5.3
60.04522	1.2
61.02935	5.8
64.39895	0.5
65.03948	0.8
68.99792	3.5
69.03434	27.8
69.07076	0.6
69.50806	4.6
70.06602	1.1
71.04999	4.5
73.02926	7.5
79.05491	0.8
80.05012	0.9
81.03423	32.7
82.91497	0.5
83.01344	1.2
85.02911	81.4
87.00836	34.7
87.04485	1.0
91.03954	2.1
91.05462	1.4
93.07076	0.6
97.02902	30.0
98.06062	1.5
98.21482	1.3
99.00884	0.6
99.04465	14.3
101.02418	0.9
102.45632	0.6
103.05482	6.3
105.01876	29.9
105.07041	3.5
107.04962	8.5
108.04487	10.5
109.02883	31.6
109.18513	0.6
115.03969	1.4
115.05426	0.8
117.01880	4.9
126.05539	3.7
127.03925	56.6
128.04228	0.8
129.01837	4.4
131.04956	2.1
135.08075	7.0
139.03935	4.0
144.06581	0.8
145.04970	27.5
147.02908	1.9
147.04402	1.0
154.06258	30.7
159.02904	18.3
163.07555	28.6
163.08949	1.0
164.08070	0.6
167.07060	1.0
171.02899	0.7
176.33846	0.7
177.04002	1.0
180.07861	1.5
187.07539	0.7
189.03952	0.9
193.08615	0.7
195.10185	100.0
196.10559	1.2
200.50021	0.6
207.10219	0.6
212.05560	0.7
213.03960	2.4
219.10222	0.9
221.08127	0.9
230.06548	3.4
231.05023	11.9
248.07758	5.0
249.05998	1.9
261.11185	0.8
262.13651	0.6
266.08783	1.9
284.06769	1.0
299.09225	2.8
303.12234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37849	2.2
53.03942	5.4
55.01862	4.5
55.05507	3.0
56.49020	2.4
57.03431	4.3
61.02938	2.4
62.70158	2.8
67.05488	4.1
69.03429	20.9
69.07056	4.5
70.06599	11.5
71.00966	4.9
71.04971	4.9
72.08157	3.3
72.55904	2.3
73.02918	2.9
79.05475	5.8
81.03422	17.9
81.07034	7.3
85.02914	32.5
87.00816	11.5
91.05491	5.2
93.07041	4.3
95.04930	2.8
95.08593	7.1
97.02895	27.3
99.04456	6.2
103.05478	6.5
105.01881	13.0
105.07007	8.3
107.04958	13.9
107.08554	5.7
108.04448	4.7
109.02905	13.3
109.10147	3.9
109.28905	3.1
116.07098	3.8
119.08567	5.0
121.10128	4.2
127.03920	25.6
129.12941	2.3
131.04909	2.9
135.08026	8.9
135.11707	3.8
136.07547	2.4
136.12054	2.7
137.05879	2.9
138.09135	3.8
139.03886	6.3
145.04948	16.6
145.10112	3.8
147.04399	4.3
147.11687	2.3
149.09760	2.4
154.06259	42.1
159.02870	6.2
159.11691	2.7
163.07544	28.3
164.54199	2.2
165.09181	5.1
167.07051	4.9
195.10172	100.0
200.12802	3.3
214.63664	2.7
231.05049	12.8
248.07620	2.7
249.06119	3.5
282.02368	2.4
299.09299	3.1
405.45740	2.3
416.24496	6.1
431.47607	2.6
448.25555	2.7
460.26843	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	459.3833
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
55.05519	16.9
55.91585	2.9
56.00246	2.9
57.07094	3.5
67.05506	36.4
69.07075	22.4
70.86928	8.4
76.67236	3.2
79.05495	13.6
81.07063	69.5
83.08617	13.8
91.05494	12.3
93.07046	31.6
95.08620	100.0
97.06519	5.5
97.10178	8.8
99.04505	3.3
105.07038	26.4
107.08592	44.6
109.10165	96.7
111.08071	3.7
111.11746	3.4
119.08587	24.6
121.10162	42.9
123.11703	27.7
131.08591	8.0
133.10147	25.9
135.11734	25.7
137.09578	4.7
137.13258	8.9
145.10115	8.0
147.11688	14.8
149.13301	13.5
159.11719	10.9
161.05753	2.9
161.13264	17.2
163.14810	16.9
165.12650	4.5
165.16402	3.0
173.13301	8.6
175.14847	6.1
177.16443	11.0
181.12318	6.5
187.14865	4.2
189.16435	13.1
191.17990	13.3
195.13841	7.3
198.45140	2.8
201.16380	8.7
203.17953	16.5
205.15839	4.4
207.17416	6.3
215.17944	5.1
217.19594	9.0
219.17538	3.0
237.18456	3.2
328.60843	3.0
347.29437	10.6
352.63687	3.4
423.36200	10.3
429.17001	4.7
433.99051	3.1
441.37430	35.8
444.18759	4.2
445.20410	3.5
453.35364	3.3
459.21817	38.7
459.38098	9.3
460.22586	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	459.3836
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.03935	3.9
55.05502	16.7
57.07071	9.2
65.03929	5.0
67.05512	26.4
69.07079	20.4
69.23652	16.7
69.24082	15.1
79.05493	22.8
81.07062	64.3
83.08609	12.7
83.87473	3.2
85.06564	4.3
91.05466	17.5
93.07054	40.1
95.04973	6.5
95.08611	100.0
97.06514	6.1
97.10147	7.6
105.07038	38.1
107.08593	57.5
109.10162	55.3
111.08146	3.9
117.07006	6.7
119.08578	46.9
121.10152	50.6
123.11688	24.1
125.09608	6.0
129.07007	3.5
131.08597	16.4
133.10130	39.9
135.11693	45.7
143.08501	5.8
145.10127	25.6
147.11697	36.8
149.09676	4.4
149.13266	26.2
157.10144	6.8
159.11688	25.0
161.13309	23.8
162.38550	3.2
163.14847	28.2
173.13269	14.0
175.14868	20.8
177.16417	10.8
179.14319	8.8
185.13286	4.3
187.14838	12.7
189.16408	29.1
191.17953	75.8
191.19600	5.9
193.15886	7.5
201.16411	21.7
203.14349	3.0
203.17949	37.4
205.15881	3.2
205.19510	7.6
207.17464	12.8
213.16411	4.8
215.17909	17.9
217.19534	10.4
219.17473	9.8
221.08080	3.9
221.19003	18.9
231.21040	7.2
233.18980	13.1
251.20105	10.4
266.16238	3.6
330.03616	3.4
358.07089	4.0
366.25702	3.1
393.35144	6.6
401.12378	6.4
411.36234	32.5
423.36279	21.3
427.14020	27.9
429.37329	4.5
441.37219	34.3
459.28149	5.0
459.38394	85.9
459.62131	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	460.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01859	1.8
55.05478	0.8
56.05023	0.8
57.03421	2.3
57.05809	1.3
58.06591	1.7
61.02912	2.0
69.03077	1.0
69.03433	17.1
70.06567	2.5
71.03261	1.6
71.04974	2.4
72.08132	3.2
73.02895	2.4
81.03419	13.5
84.08140	2.0
85.02438	1.0
85.02909	18.5
86.09666	0.9
87.00829	7.7
88.04009	3.8
91.05489	1.3
93.03410	0.9
97.02897	8.3
98.09675	1.8
98.52696	0.7
99.04477	4.7
101.02373	1.2
105.01866	2.4
107.04966	6.0
109.02886	13.8
110.07146	0.9
111.04457	7.1
117.01889	1.4
119.89531	0.6
120.08096	2.8
123.04455	1.4
127.03925	12.9
129.01830	1.2
135.04424	15.4
136.06181	1.2
136.07578	0.9
137.05956	1.5
139.03909	22.6
145.05002	3.5
148.07567	2.2
151.06270	1.9
159.02896	3.8
163.03917	5.0
165.07962	0.9
166.07263	8.0
166.08630	63.4
167.05629	1.2
177.05489	0.8
181.04982	17.0
187.06017	1.9
194.08231	1.3
208.09679	0.9
212.09186	100.0
213.09596	0.8
339.42914	0.8
357.58881	0.7
370.14987	2.7
374.14432	11.7
414.13904	2.9
416.15546	3.4
421.77893	0.9
442.13632	1.5
460.14505	28.5
460.30713	1.8
461.14301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3834
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
50.45599	3.6
51.53290	3.4
53.03958	3.3
55.05511	16.6
57.07070	4.3
63.11409	3.1
67.05506	25.3
69.07055	15.1
70.27804	13.4
79.05508	19.0
81.03407	5.0
81.07057	63.9
83.08607	10.3
90.41118	3.2
91.05468	19.2
93.07047	44.6
95.08611	100.0
97.10137	6.7
105.06503	3.4
105.07043	45.2
107.08585	63.9
109.10152	54.2
117.07014	6.6
119.08580	50.0
121.10152	66.6
123.11736	25.2
125.09628	4.2
127.41109	3.6
131.08554	15.6
133.10146	30.9
135.11708	35.4
137.13252	6.0
143.08583	3.6
145.10138	17.8
147.11688	26.9
149.13242	26.2
159.11647	22.9
161.13275	29.7
163.14799	26.8
165.09097	5.4
165.12746	4.0
165.16309	4.2
173.13245	16.4
175.14861	23.2
177.16368	13.5
179.14357	8.5
185.13214	3.5
187.14780	10.6
188.15721	3.4
189.16402	21.5
190.73846	3.2
191.17957	41.2
193.15854	8.0
196.38359	3.5
201.16351	14.0
203.17935	30.0
205.15833	4.2
205.19551	9.9
207.17358	4.3
215.17955	11.8
217.19562	17.5
219.17444	11.7
221.18982	10.1
224.21750	3.5
229.19431	5.8
229.74989	3.4
231.21072	8.1
233.18976	10.8
245.22598	6.1
247.20435	5.0
251.20108	13.2
279.23199	6.2
322.00089	4.3
346.80630	3.6
411.36252	33.4
413.37662	4.2
423.36108	11.5
429.37073	8.3
441.37344	35.7
459.27356	7.1
459.38498	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	459.3837
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
55.01876	3.5
55.05508	12.9
57.03430	2.4
57.07081	3.3
67.05508	39.7
69.03422	3.4
69.07082	19.5
69.87935	11.5
71.05005	3.1
79.05487	13.2
81.07067	44.8
83.05018	2.7
83.08617	6.2
84.57606	2.1
85.06528	3.8
85.10229	2.1
91.05504	11.3
93.07055	29.4
94.06590	6.3
95.04973	4.4
95.08611	57.8
97.02923	2.7
97.06551	3.3
97.10188	4.5
105.07046	22.9
107.08591	42.3
108.08145	4.9
109.06534	5.7
109.10165	100.0
117.07037	3.2
119.08606	37.7
121.10161	36.4
122.06028	15.3
123.08127	3.2
123.11702	37.3
125.09653	6.6
129.06984	2.2
131.08586	9.0
133.10144	19.2
135.08093	6.2
135.11711	28.1
136.07603	5.9
137.09628	17.9
137.13278	8.3
140.07019	2.4
145.10126	14.5
147.11722	20.4
149.13275	15.3
157.10172	5.1
159.11703	21.2
161.13268	20.4
163.13602	2.3
163.14835	9.6
164.07054	4.0
167.10722	9.5
169.10248	2.5
171.11671	4.6
173.13280	10.0
175.14859	12.0
177.16438	6.1
182.08153	20.1
185.13365	3.2
187.14795	11.7
189.16400	10.7
191.17963	23.4
199.14760	2.1
200.09293	5.4
201.16399	9.8
203.17917	7.0
205.15891	9.2
205.19597	4.2
207.17451	3.8
208.09111	2.3
208.11073	2.6
213.16287	4.2
215.17984	5.4
217.15933	4.4
217.19479	11.5
219.17377	3.5
233.15587	2.3
254.34953	2.8
271.24231	9.7
297.25946	2.7
323.27261	2.9
341.28479	10.8
405.35190	3.6
423.36511	17.1
431.18268	4.5
441.37329	56.3
459.18188	9.3
459.38330	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	459.3835
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
50.08684	2.4
50.85395	2.9
53.03947	3.0
55.05511	21.3
55.76204	2.4
57.07067	8.8
59.05005	4.8
63.70204	2.9
67.05514	32.4
68.87953	3.0
69.03432	5.4
69.07072	38.8
69.44286	23.1
71.04982	4.2
71.08614	4.1
73.02908	4.8
79.05493	20.7
81.07064	72.6
83.04983	4.3
83.08636	17.8
85.06541	4.6
91.05493	19.2
93.07050	45.1
95.08607	100.0
96.08948	4.3
97.06539	4.4
97.10165	8.6
99.04438	3.2
104.37498	2.9
104.38155	3.1
105.07037	37.1
107.08607	64.5
109.06528	5.5
109.09464	5.4
109.10162	76.1
111.08031	6.2
111.11723	5.8
117.07028	5.5
119.08588	39.0
121.09331	3.3
121.10162	43.9
123.08060	4.6
123.11713	30.2
125.09616	4.0
127.03988	3.7
129.07033	4.0
131.08572	10.6
133.10143	29.3
135.08081	3.1
135.11691	40.4
137.13234	13.4
145.10126	13.9
147.11688	26.0
149.09587	3.6
149.13266	34.3
151.11179	4.2
151.14769	4.6
157.10129	5.1
159.11725	10.6
161.13310	20.4
163.14825	29.6
165.09073	3.4
169.12206	3.3
173.13217	7.9
175.14825	16.0
177.05286	6.0
177.16394	33.8
181.12234	4.1
187.14850	9.2
189.16396	16.5
191.18013	23.7
193.15849	4.4
199.14828	3.9
201.16431	10.6
203.18008	24.6
205.19559	9.5
213.16432	5.8
215.17999	6.7
217.19540	18.0
218.94084	3.2
223.17020	5.1
227.17886	4.8
233.19083	4.8
237.18526	6.5
245.22725	5.2
251.20210	3.2
257.22833	4.6
271.06323	4.4
423.36139	10.7
429.37305	14.2
441.37631	26.1
459.34039	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	459.3834
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
55.05510	19.4
64.28953	6.4
67.05502	32.2
69.07074	32.7
79.05495	23.6
81.07072	57.2
83.08606	19.1
91.05493	12.4
93.07066	39.2
95.08614	100.0
97.10132	6.2
98.21529	11.8
105.07044	32.2
107.08607	60.5
109.10166	68.6
111.11753	7.2
112.94848	6.2
119.08621	34.6
121.10181	50.6
123.11718	24.8
133.10124	18.2
135.11708	31.4
137.13272	12.8
145.10155	9.4
147.11700	30.9
149.13258	36.9
159.11710	11.2
161.13245	20.6
163.14825	38.1
167.10686	7.8
173.13194	8.1
175.14870	23.9
177.16425	44.0
181.12254	14.1
189.16425	19.4
191.18083	28.2
201.16383	10.8
203.17992	35.5
205.19514	12.6
215.17914	11.2
217.19502	27.6
221.18973	9.5
251.20042	12.6
326.05859	6.5
423.36240	7.7
429.37479	38.7
441.37393	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3834
Annotation	Salvistamineol
Peak:m/z	Relative Intensity
53.03943	5.9
55.01871	5.7
55.05506	23.5
57.07069	9.7
59.04993	8.2
67.05506	36.1
68.62689	3.2
69.03426	9.0
69.07075	41.7
69.30536	12.1
69.30962	17.0
79.05493	22.7
81.07059	59.1
83.08632	17.3
85.06527	5.4
91.05483	21.8
93.07047	63.1
95.04973	3.7
95.08610	88.0
97.06533	8.3
97.10179	9.0
105.07024	41.6
107.08596	78.7
109.06537	6.1
109.10160	80.9
111.08069	17.1
111.11715	9.6
113.09698	4.8
117.07047	5.4
119.08582	57.6
121.10150	64.7
123.08107	9.6
123.11701	26.3
125.09629	12.8
127.11234	3.1
131.08556	19.3
133.10138	50.2
135.08098	5.2
135.11699	50.8
137.09622	7.5
137.13245	12.0
139.11179	9.1
142.07822	3.2
145.10133	30.5
147.11725	32.4
149.13260	56.8
151.11176	4.1
157.10149	11.4
159.11690	44.8
161.13274	26.7
163.14854	11.1
167.14348	14.4
171.11723	9.9
173.13280	20.0
173.29308	3.5
175.14865	18.4
177.16397	13.5
183.11700	3.6
185.13266	11.9
187.14838	24.9
189.16414	26.1
191.17984	11.9
199.14815	6.9
201.16394	69.8
203.18013	26.5
207.17398	20.6
209.13330	5.0
211.14816	4.2
213.16429	13.1
215.17854	16.1
217.19511	4.5
219.17441	98.1
227.17947	17.2
229.19513	7.8
233.19101	17.7
241.19443	5.4
255.21043	5.8
256.01804	3.6
257.22614	7.8
267.20938	6.3
269.22705	22.7
281.22763	5.3
283.23917	4.9
287.23520	5.0
405.35089	10.9
423.30823	6.0
423.36276	100.0
441.37357	71.8
459.38669	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01868	9.3
55.05265	3.2
55.05515	56.4
55.25183	1.8
56.14956	2.1
57.03435	7.0
59.04991	4.0
64.00540	1.8
65.03931	3.1
67.05508	56.7
69.03434	7.8
69.07072	17.6
69.81707	3.0
69.82104	10.3
71.05000	3.0
72.08141	2.2
79.05495	53.9
81.03406	5.9
81.07055	41.9
83.04980	8.3
83.08618	28.4
84.61149	1.9
85.06553	3.7
91.05482	41.5
93.07051	27.8
95.04970	10.4
95.08609	22.6
97.06519	6.3
97.09560	2.7
97.10174	50.7
103.05482	25.3
105.03390	4.7
105.07037	38.5
107.04964	6.9
107.08610	29.2
109.06514	5.5
109.10168	16.9
111.08081	3.4
115.05476	10.3
117.07024	60.3
119.04958	2.2
119.08588	26.6
121.06509	6.2
121.10153	7.7
123.08067	4.2
125.09632	43.6
128.06232	9.2
129.07008	31.5
129.67108	2.0
131.04927	4.0
131.08562	44.1
133.06497	8.0
133.10135	9.4
135.08072	14.8
135.11716	2.4
137.09621	4.3
139.16582	2.0
141.06982	12.9
142.07784	3.2
143.08551	15.5
145.06508	16.4
145.10127	17.7
147.08043	7.0
147.11757	6.1
149.09612	6.1
149.13214	3.0
153.05518	6.7
153.07018	2.4
153.09103	4.4
154.07903	2.4
155.08562	16.0
157.06543	7.9
157.10078	11.1
159.08093	8.3
159.11671	6.1
161.09633	3.2
161.13217	2.6
165.07011	4.5
165.09154	14.9
167.08537	6.8
169.10152	13.5
171.08073	7.4
171.11618	10.6
173.09648	2.6
173.13286	5.9
175.14923	2.7
179.08621	3.6
181.10118	3.9
182.10977	3.9
183.11772	2.5
185.09686	2.6
185.13232	7.1
187.14841	16.1
189.11234	35.9
189.12662	1.9
193.12201	3.8
195.11713	8.9
197.13257	19.0
203.14294	2.9
209.13321	4.5
213.12787	8.5
215.14326	99.6
227.12741	32.9
231.13869	3.9
233.15378	4.4
237.12921	2.8
241.12283	4.9
245.13634	2.8
253.15836	2.3
259.13495	2.8
271.16852	6.7
273.14948	2.2
321.22275	2.8
339.23251	5.4
349.21594	18.5
367.22675	40.5
385.23776	26.1
403.24719	7.6
409.19879	2.1
423.25159	3.2
431.27750	2.4
438.31238	2.1
441.26328	59.8
459.27441	100.0
459.34000	3.5
460.27652	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	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
53.65735	2.1
54.07309	2.0
55.01890	13.0
55.05273	4.8
55.05515	67.0
57.03436	5.0
59.04984	2.8
65.03958	5.0
67.05511	63.5
69.03419	8.6
69.07073	21.5
70.06562	5.6
70.17391	9.6
70.84583	2.3
71.04975	4.2
72.08144	3.0
77.02279	2.4
79.05064	3.6
79.05503	62.3
81.03429	6.6
81.07063	56.1
83.04977	8.6
83.08624	30.7
84.08113	2.7
85.02909	2.4
85.06533	5.5
86.09745	2.9
91.05489	57.0
93.07051	29.4
95.04989	11.7
95.08601	26.7
97.06525	6.7
97.10178	47.9
99.04444	2.4
99.08115	2.7
103.05463	27.0
105.07043	47.7
107.04958	12.2
107.08610	36.5
109.06541	6.3
109.10164	26.8
111.08083	5.2
115.05470	13.8
116.06229	2.9
117.07025	65.0
118.53522	2.2
119.04963	4.4
119.08595	26.8
121.06509	7.2
121.10159	10.5
123.11668	6.5
125.09639	39.3
128.06232	9.1
129.07036	32.7
131.04979	5.5
131.08571	46.8
133.06468	14.8
133.10149	11.7
135.08064	14.7
135.11670	6.2
137.09613	6.4
141.07021	14.5
142.07817	5.4
142.80710	2.0
143.04878	2.5
143.08574	17.8
143.10667	2.5
145.06508	19.0
145.10144	20.7
147.08023	6.9
147.11684	6.6
149.09615	9.2
149.13322	7.2
153.05489	8.9
153.06992	3.8
153.09113	6.6
155.08556	19.7
156.09351	2.7
157.06584	11.7
157.10150	11.2
159.08092	8.9
159.11710	9.2
161.09660	3.0
161.13359	3.3
165.07068	3.3
165.09123	37.2
167.07182	3.5
167.08594	9.4
169.10165	13.2
171.08076	6.7
171.10411	2.2
171.11612	11.0
173.09634	5.8
173.11859	2.9
173.13297	6.1
175.11171	3.0
175.14848	4.8
179.08617	3.5
181.10156	4.1
183.11690	5.6
185.09584	3.3
185.13303	5.4
187.11234	3.8
187.14836	22.1
189.11227	30.3
189.12776	4.3
193.10269	2.6
193.12155	3.1
193.15965	2.3
195.11726	8.0
197.13268	23.4
199.11263	3.8
199.14873	3.7
203.14273	2.5
205.12135	3.1
207.11678	3.7
209.13400	3.6
211.11354	2.7
211.14856	3.3
213.12776	8.2
215.14334	100.0
216.01852	2.3
216.14597	2.4
221.13354	4.2
223.11227	3.9
223.14868	4.2
225.12749	3.3
227.12744	32.8
227.14590	3.1
231.13884	3.0
233.15437	3.6
237.12878	3.4
241.12260	6.6
245.13710	2.4
253.15964	2.7
257.15280	3.4
269.15482	3.9
271.16992	7.5
273.14941	3.4
321.22134	4.3
331.20584	3.6
339.23148	9.2
349.21689	20.6
357.24374	4.9
367.22656	43.5
385.23764	26.0
403.24847	7.6
405.24274	3.8
413.12924	3.0
441.26389	64.4
459.27438	93.0
459.34250	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	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.8
55.01872	9.9
55.05514	9.2
57.03443	8.0
57.07067	1.5
59.04990	1.3
61.02926	6.8
67.05508	22.8
67.64749	1.2
68.99789	6.7
69.03432	45.3
69.07070	8.3
70.00594	3.0
70.00976	2.4
70.06580	2.0
71.04984	6.9
72.08157	2.0
73.02927	8.1
77.26392	1.3
79.05504	6.5
79.05922	1.2
81.03426	39.1
81.07062	18.4
83.01344	1.6
83.04980	2.0
83.08607	3.8
84.08115	1.3
85.02910	100.0
85.06554	17.3
86.09727	1.3
87.00829	33.7
87.04449	1.9
89.06005	2.1
91.05474	6.6
93.07044	9.2
95.04957	2.8
95.08607	34.6
97.02892	25.8
97.06498	2.6
97.10165	5.2
98.20832	2.0
99.04461	16.5
99.08096	5.1
101.02369	1.9
105.01870	33.9
105.07028	9.3
107.08594	12.8
109.02884	35.1
109.06555	2.0
109.10160	30.7
111.04443	2.5
111.08072	5.4
111.11757	2.3
112.30332	1.3
115.03915	2.0
115.07555	2.8
117.01842	3.7
117.07122	1.4
119.08583	11.8
121.06463	1.5
121.10153	7.5
123.04382	1.5
123.08064	3.5
123.11699	3.5
125.09608	1.5
127.03922	69.6
127.11230	3.1
128.73792	1.1
129.01831	4.8
131.08594	1.8
133.10115	12.6
135.11691	14.0
137.09653	11.0
137.13243	4.7
145.04965	23.6
145.09941	1.5
147.02878	4.2
147.11693	2.9
149.13254	5.6
151.11182	3.2
159.02892	21.6
161.09616	1.6
163.14786	3.8
165.09100	1.8
167.07047	2.3
173.13300	1.9
175.14824	19.0
177.03961	1.6
177.16400	7.8
179.14348	3.7
181.15874	5.0
189.04008	2.2
191.14326	2.8
193.15891	35.5
195.17441	10.7
209.15341	2.2
211.16936	43.0
213.03969	4.0
231.05038	17.8
249.05954	2.6
411.20129	2.6
423.19995	1.8
459.22241	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	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01867	3.3
55.05518	8.6
56.86892	1.5
57.03442	2.7
58.31247	1.5
59.05000	2.2
60.79402	1.6
61.02914	2.2
67.05512	14.6
69.03432	14.9
69.07073	11.8
70.06591	6.8
70.21227	1.6
71.04980	5.9
71.55595	1.7
72.08144	5.4
74.73925	1.4
78.01970	1.5
79.05499	9.8
81.03419	9.9
81.07063	19.9
83.04977	6.5
83.08613	5.4
84.08141	3.8
85.02911	20.2
85.06539	2.8
86.09707	2.9
87.00851	8.2
87.04465	2.7
87.37778	1.5
91.05479	11.1
93.07046	11.8
95.04971	9.8
95.08612	13.8
97.02894	13.1
97.06514	7.8
97.10172	3.3
97.54021	1.4
99.04457	3.1
103.05445	2.7
103.38078	1.4
105.01871	4.7
105.07040	14.1
106.94513	1.4
107.04984	4.3
107.08601	15.7
109.02879	10.2
109.06541	8.1
109.10153	19.5
111.04443	2.2
111.08074	2.3
115.05536	2.3
117.06985	3.6
119.04958	1.5
119.08605	16.6
120.08004	2.0
121.06557	2.5
121.10163	7.4
123.08090	6.8
123.11723	12.6
125.09640	3.2
127.03903	15.1
128.06288	2.3
129.07016	1.9
129.10242	1.6
131.08540	5.6
133.02777	1.6
133.06474	3.5
133.10136	15.3
135.08090	3.1
135.11690	14.1
137.06009	5.7
137.09627	18.0
137.13229	3.2
139.03934	1.8
139.07495	1.6
139.11212	1.7
142.03241	5.8
143.08607	1.9
145.04982	2.3
145.06487	3.3
145.10126	4.9
147.11696	4.7
149.09650	2.7
149.13284	7.1
151.03993	2.2
151.07559	3.4
151.11302	1.9
153.05472	1.8
157.06470	2.1
157.10098	3.4
159.02864	2.2
159.08017	2.7
159.11713	1.7
161.09633	2.1
163.07561	1.8
163.11182	2.5
165.09123	100.0
167.07065	11.1
170.02673	2.0
171.08058	2.1
171.11775	1.7
173.13228	1.5
175.07582	3.7
175.14832	20.0
177.09163	1.5
179.07037	1.6
183.08072	1.6
187.07468	2.6
187.11102	1.6
189.09126	2.3
193.15898	28.3
195.10056	2.1
199.11316	1.8
205.12306	4.4
209.15297	1.7
211.16965	26.9
215.14066	1.6
231.05029	2.6
245.05957	2.2
247.93407	1.5
249.11183	5.5
257.04507	4.6
264.67834	1.6
273.15005	2.1
367.22647	3.2
417.87524	1.5
459.09259	7.0
459.21793	2.4
459.27664	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
55.01876	10.9
55.05510	27.1
57.03434	12.3
59.04988	12.7
60.30051	4.0
65.03932	5.7
67.05506	44.6
68.99786	6.7
69.03436	57.3
69.07070	33.1
70.06592	39.7
71.04991	13.5
71.55513	5.3
72.08164	29.9
72.08520	4.9
73.02931	8.1
79.05492	34.8
81.03429	46.4
81.07063	53.5
83.04974	21.4
83.08611	19.8
84.08145	28.4
85.02907	98.8
85.06545	13.1
86.09695	16.7
87.00816	13.5
91.03984	4.5
91.05489	41.2
93.07059	47.0
95.04976	17.7
95.08607	58.6
97.02897	41.9
97.06517	20.0
97.10184	11.8
99.04449	20.2
101.02372	5.5
105.01901	8.6
105.07052	34.1
105.90423	5.1
107.05003	22.5
107.08605	53.0
109.02876	35.8
109.06496	20.4
109.10165	100.0
110.07238	5.7
111.08080	9.4
117.05567	5.5
117.06999	12.3
119.03455	10.5
119.04911	5.5
119.08579	46.2
121.06490	11.4
121.10155	26.2
123.04448	7.7
123.08051	15.4
123.11696	15.6
124.07637	5.0
125.05989	5.1
125.09624	11.4
127.03931	63.8
128.07156	4.6
129.01823	4.3
129.07037	13.2
129.10213	6.1
131.08551	17.2
133.06487	5.0
133.10117	45.5
135.08067	7.8
135.11713	89.7
137.05984	19.9
137.09619	32.1
137.13226	7.0
139.11179	7.4
143.08582	12.2
144.05656	4.8
145.04985	21.6
145.06541	11.0
145.10100	11.6
147.04446	13.2
147.08083	6.4
147.11664	13.4
149.09648	10.8
149.13242	13.3
151.07573	10.3
151.11174	9.7
151.14803	12.8
153.05463	6.8
155.10674	5.2
157.10115	10.8
159.08060	12.7
159.11699	9.2
161.05966	6.5
161.09598	12.4
163.11122	5.5
165.06993	5.2
165.09131	49.9
165.12685	6.4
167.07063	58.4
173.13304	5.2
175.07457	10.4
175.14839	40.9
179.10707	18.2
181.08633	4.8
187.07552	7.3
193.08350	5.2
193.15898	63.0
197.11726	43.3
211.16966	77.8
231.04997	7.5
231.10219	5.9
249.06052	8.5
249.11256	26.9
303.15811	5.4
313.95093	4.3
351.06720	4.5
415.19263	7.2
441.25812	4.7
459.19315	21.5
459.27631	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	458.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81914	3.6
53.03939	6.7
55.01873	3.8
55.05500	11.4
57.03442	6.1
61.02917	13.8
67.05508	43.9
68.05840	3.4
69.03434	35.4
69.07056	14.0
69.29362	7.5
69.29762	30.3
69.38174	3.0
70.07384	4.8
71.04984	4.9
73.02911	6.5
79.05497	21.4
81.03423	19.9
81.06640	5.2
81.07065	55.0
83.04953	5.2
83.08598	7.9
84.04519	5.9
85.02911	100.0
85.06548	7.7
85.46306	2.8
86.73891	3.6
87.04447	4.0
91.05474	8.0
93.07045	24.9
95.08612	47.0
96.08932	4.3
96.50090	3.3
97.02891	33.6
97.06539	3.5
97.10156	4.2
99.04448	8.5
100.28383	3.8
103.02393	3.1
105.07050	16.4
106.07339	4.3
107.08606	29.4
109.02874	10.4
109.10152	31.4
110.10406	3.2
117.06993	5.4
119.08588	20.0
121.10150	21.0
122.10471	4.8
123.11691	11.8
124.90726	3.7
127.03939	21.3
130.07722	3.9
131.08560	8.4
131.50223	3.0
133.10121	13.4
134.10536	3.2
134.15096	3.6
135.11687	12.5
137.13252	7.0
143.08553	4.1
145.04982	27.8
145.10086	12.4
147.11713	8.4
149.13332	5.7
157.10222	3.9
159.11707	8.1
160.73672	3.7
161.13216	8.3
163.14774	3.7
171.11748	4.4
173.13274	4.9
177.16331	4.5
180.08757	21.2
180.93143	3.6
187.14803	5.6
188.85904	3.6
192.60864	3.7
197.21388	3.6
261.00217	3.3
261.22144	4.2
279.23196	9.2
279.86795	4.3
345.63580	3.4
440.35968	6.6
457.80862	4.5
458.31860	5.5
458.37247	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59732	0.5
53.03919	0.5
55.05501	0.6
57.03446	0.8
60.04513	0.5
67.05481	1.1
69.03427	1.7
69.07063	0.8
70.06583	4.3
71.04992	0.9
71.55360	0.6
72.08163	5.1
81.03404	1.7
81.07037	0.6
84.08102	1.0
85.02897	2.3
86.09714	3.7
87.10012	0.6
91.05470	2.1
95.04954	1.2
95.08620	0.9
97.02899	1.6
97.06537	0.6
99.04458	1.0
99.08144	0.6
105.01875	0.5
107.08587	0.7
109.02879	1.1
109.05199	0.6
109.06504	0.7
109.10146	1.3
110.07157	1.9
119.04954	0.5
119.08580	0.9
120.06606	1.4
121.10098	0.8
122.06016	0.5
127.03922	1.2
127.75733	0.5
133.10068	0.7
134.03650	1.0
134.04626	11.6
137.06075	0.5
147.04408	0.7
149.99966	0.8
152.05815	2.5
152.06862	0.8
160.02531	0.9
163.03903	0.6
164.07095	0.6
165.02339	8.6
167.02589	1.4
182.04974	80.6
183.03358	0.7
193.00600	0.6
193.15820	1.4
201.64316	0.6
208.02898	100.0
211.16748	0.5
236.99171	0.9
255.00075	0.7
261.14862	0.6
281.30334	0.6
314.09229	1.0
327.04507	1.8
327.08698	56.4
328.04730	0.6
328.09021	0.9
340.07098	1.1
459.24606	0.8
482.39343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13331	1.0
60.83125	1.1
69.03434	1.2
70.06596	68.8
71.51457	1.2
72.08167	2.1
84.08147	2.0
85.02908	1.9
86.09702	1.6
95.85709	0.9
97.02914	1.1
116.07101	100.0
138.05493	1.7
155.54524	1.0
244.06744	1.1
253.10696	1.1
264.06387	2.8
458.11569	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	458.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13331	1.0
60.83125	1.1
69.03434	1.2
70.06596	68.8
71.51457	1.2
72.08167	2.1
84.08147	2.0
85.02908	1.9
86.09702	1.6
95.85709	0.9
97.02914	1.1
116.07101	100.0
138.05493	1.7
155.54524	1.0
244.06744	1.1
253.10696	1.1
264.06387	2.8
458.11569	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	458.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.2
55.05510	26.6
56.22923	7.5
57.03440	8.8
57.07073	9.9
67.05513	78.5
69.03426	26.8
69.07087	31.6
69.53271	31.8
69.53669	13.8
70.98268	6.2
79.05500	70.9
81.03421	30.9
81.07061	100.0
83.04990	7.7
83.08630	14.2
83.90365	6.5
85.02905	20.8
85.06533	9.7
91.05493	51.4
93.07050	83.6
95.04977	13.5
95.08622	77.5
97.02867	12.9
97.06560	8.7
105.07050	53.0
105.07693	9.2
107.04946	8.0
107.08606	66.3
109.06516	8.5
109.10175	47.6
117.07045	18.3
119.08575	42.6
121.06496	7.3
121.10149	53.3
122.10521	9.5
123.08098	7.2
123.11738	15.2
125.09634	7.7
127.03999	11.4
129.07037	11.0
131.08578	27.8
133.10089	38.3
135.08147	7.9
135.11682	37.0
139.93515	6.4
143.08563	8.3
145.05029	7.3
145.10156	29.9
147.11696	17.2
149.13277	24.0
157.10141	11.5
159.11713	27.8
161.13290	16.1
163.14784	7.2
165.50816	7.3
171.11774	12.4
173.13304	16.8
175.14813	9.1
187.14842	11.2
189.16370	8.0
234.28145	6.8
243.20963	6.6
261.22171	27.4
285.22226	6.9
303.23273	11.5
343.39185	7.1
369.24234	18.6
378.89090	8.0
387.25357	18.7
405.26352	19.1
423.27295	12.5
440.36139	16.2
458.37015	30.8
472.28244	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	458.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.3
58.99578	5.4
64.97115	2.2
65.74350	1.9
67.05499	9.1
67.43962	1.9
68.05029	2.6
69.69114	2.5
70.06598	62.2
70.71478	4.8
70.71809	2.3
72.08158	10.0
74.31890	2.0
76.02230	8.8
79.05490	3.4
81.03414	2.6
82.06564	7.0
82.52827	2.2
84.08141	8.0
85.02889	4.1
86.00639	8.0
86.09738	2.1
86.99064	2.6
88.03985	8.0
91.05476	3.1
92.05005	3.0
93.91428	2.4
94.06584	17.5
95.04971	5.8
96.04501	16.1
99.01367	4.3
100.02211	8.1
103.05465	9.7
108.04469	3.1
109.07662	3.0
110.06062	16.4
110.07133	3.8
112.07617	3.5
114.09134	3.4
116.07091	3.3
120.04449	4.5
120.07236	4.8
120.08115	100.0
122.02693	2.1
122.06040	43.6
124.07587	9.9
127.03937	2.9
128.07080	5.1
132.01161	9.2
134.06053	3.4
136.07585	82.4
137.07101	13.6
137.07996	3.3
138.05518	22.5
140.01648	30.5
140.71782	2.4
142.03258	12.2
145.01924	3.0
146.02707	10.8
150.05536	3.2
152.01624	4.6
152.07117	4.3
154.03204	4.5
161.07135	3.8
162.02176	3.8
162.05486	4.0
164.07085	68.9
166.03290	2.5
166.04944	5.0
166.07364	4.3
166.08644	51.0
178.03233	3.6
182.08141	41.6
182.09767	3.1
183.05901	4.0
184.00626	10.0
186.09145	2.4
194.24333	2.2
195.05898	25.1
199.29916	2.1
207.07690	8.0
210.07600	2.8
214.08681	3.4
227.11708	2.9
228.10330	3.9
229.06456	20.2
241.06425	70.0
255.11276	21.3
256.09668	15.5
259.07501	85.3
259.10339	3.6
278.10150	2.6
283.10751	5.6
284.09094	4.5
285.12051	3.0
301.11856	29.8
302.10251	35.8
303.13535	2.7
319.12946	22.0
320.11365	4.5
333.08963	8.2
337.14099	3.4
351.10120	4.7
422.13776	4.9
440.14957	20.1
458.15945	15.7
458.25003	3.8
460.87573	2.4
466.82434	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	alpha-Boswellic acid
Peak:m/z	Relative Intensity
52.00150	0.5
55.05515	3.9
57.07074	2.4
67.05508	6.2
69.06725	0.7
69.07077	10.9
70.77469	1.0
70.77804	0.9
71.08625	1.1
79.05494	2.9
81.07060	15.9
83.08610	4.3
90.02933	0.6
90.12424	0.5
91.05491	2.9
93.07053	6.9
95.08616	26.2
97.06515	0.5
97.10168	2.2
100.24838	0.6
105.07030	6.1
107.08604	11.9
109.06528	0.7
109.10166	14.5
111.08126	1.2
111.11732	2.5
117.07076	0.7
119.07796	0.8
119.08603	10.0
121.06532	0.6
121.10162	8.6
123.08076	1.4
123.11730	6.6
125.09676	0.9
131.08586	2.2
133.10146	10.3
135.08055	1.3
135.11716	5.5
137.09662	0.9
137.13269	12.0
139.07526	1.9
143.08566	1.3
145.10139	5.0
147.08093	0.7
147.11713	6.7
147.82631	0.5
149.09621	0.6
149.13298	3.9
151.07567	1.6
151.14810	2.0
153.09134	2.0
157.10156	2.1
158.10968	0.5
159.08112	0.6
159.11664	4.1
161.09668	1.2
161.13286	4.8
163.07588	1.0
163.14839	2.6
165.09077	2.8
167.10744	0.6
169.10101	0.9
171.11713	1.5
173.13245	3.6
175.11263	1.6
175.14844	10.7
177.09076	1.1
177.16429	3.8
179.10669	1.7
179.14452	0.5
185.13280	1.2
187.14856	2.0
189.16420	3.0
191.10641	0.7
191.17920	3.7
193.12282	1.7
199.14978	1.2
201.12622	0.6
201.16348	1.5
203.14377	1.5
203.17943	4.1
205.12192	0.9
205.19580	2.2
207.13838	1.2
207.17406	1.1
213.16536	1.5
215.17943	2.6
217.15857	1.0
217.19589	1.9
219.13850	1.7
219.17337	0.7
219.21191	0.6
221.15369	4.7
229.19597	3.6
231.13852	0.6
231.17406	1.5
231.21088	0.9
233.19067	1.1
235.16907	1.7
241.19626	2.1
243.17413	1.6
243.21104	13.2
244.21715	0.7
245.19095	0.7
245.22639	1.4
247.20587	1.1
249.18585	2.0
255.21065	2.1
257.19095	1.1
258.86279	0.5
259.17047	0.6
259.20584	0.6
261.18488	0.9
269.22638	1.2
275.20074	1.1
283.20569	0.8
283.23987	0.8
284.26810	1.0
287.20242	1.4
289.21518	1.1
301.21729	4.3
301.24835	0.9
303.23151	1.6
311.23788	0.7
329.25006	0.9
393.35275	3.5
411.36258	23.1
412.36621	1.2
421.34732	4.2
439.35748	100.0
440.36090	4.3
457.36923	14.3
457.44391	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Supinenolone A
Peak:m/z	Relative Intensity
53.03965	2.0
55.05512	10.9
55.15740	1.4
57.03439	2.6
57.07074	3.7
59.04993	1.3
65.03958	1.6
67.05509	27.9
69.03436	8.3
69.07063	19.3
70.06593	3.2
71.04999	4.0
71.56016	1.7
72.08132	1.8
79.05501	18.4
81.03433	5.6
81.07062	52.2
83.04974	3.7
83.08624	8.6
85.02902	7.4
85.06552	2.9
86.09703	2.1
87.00819	1.3
90.65440	1.4
91.05486	16.1
93.07048	36.1
95.04976	18.0
95.08611	77.4
96.08941	1.9
97.02888	8.1
97.06525	5.1
97.10178	5.7
99.04452	4.8
99.08112	3.3
105.07026	27.6
107.04966	4.2
107.08596	54.4
109.02881	2.8
109.06527	12.9
109.10153	48.8
111.08096	9.6
111.11727	2.2
113.09669	1.5
117.07019	4.5
119.04957	1.6
119.08584	35.3
121.06512	3.7
121.10149	40.7
122.07262	1.7
123.08075	10.4
123.11704	21.3
125.09630	4.1
127.03900	4.3
127.11161	2.2
129.06976	3.2
131.08543	7.5
133.10138	31.5
135.08031	8.1
135.11705	27.5
137.05988	2.7
137.09633	18.1
137.13245	15.2
139.07532	1.8
139.11243	2.0
141.09181	1.9
143.08565	5.0
145.10132	15.5
147.04428	2.4
147.08049	1.8
147.11685	22.2
149.09610	10.5
149.13266	23.1
151.07610	2.4
151.11205	2.8
151.14781	3.0
153.09140	5.6
157.10165	6.2
159.11688	14.7
161.09639	3.7
161.13275	15.2
163.11191	4.2
163.14827	19.5
165.09119	100.0
165.12764	3.3
166.09372	2.2
167.07118	2.4
169.10172	1.4
171.11722	6.5
173.13252	12.5
175.11200	4.6
175.14798	10.5
177.09138	1.5
177.12804	1.7
177.16374	12.8
179.14354	2.2
183.11713	2.5
185.13281	5.2
187.14899	9.1
189.12741	3.0
189.16368	12.2
191.10582	1.7
191.14340	7.3
191.17967	18.8
193.12271	2.8
199.14857	5.3
201.16379	8.0
203.14352	2.2
203.17999	12.3
205.12239	8.4
205.15900	4.5
205.19537	6.6
207.13875	1.9
209.15413	9.9
213.16393	8.3
215.17970	2.4
217.15894	4.1
217.19470	8.6
219.17441	6.1
219.21094	2.3
221.15379	3.1
227.17941	3.3
229.15749	2.7
229.19518	1.8
231.17410	5.0
233.19057	3.5
235.16980	4.3
243.21217	1.9
245.19118	1.7
245.22797	2.2
247.20630	5.0
249.18544	4.0
269.22659	2.0
293.24683	2.0
409.34595	18.5
411.36459	2.6
421.34808	11.7
427.35699	19.3
439.35782	31.9
440.36096	2.0
457.36859	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	457.3678
Annotation	Swinniol
Peak:m/z	Relative Intensity
53.03957	3.2
55.01874	2.0
55.05515	13.4
57.03442	3.0
57.07074	5.2
63.30754	1.2
65.03927	2.8
66.47384	1.4
67.05173	2.3
67.05507	31.0
69.03439	9.8
69.07072	18.5
70.06599	3.7
71.05000	3.2
71.08628	2.1
71.55430	2.4
79.05492	15.8
81.03416	4.1
81.06580	2.8
81.07062	58.0
83.04985	7.3
83.08615	9.2
85.02900	6.9
85.06554	5.2
87.00800	1.9
91.05482	16.1
93.07049	32.5
95.04971	20.5
95.08611	92.2
97.02906	8.9
97.06548	7.4
97.10184	5.0
98.73982	1.4
99.04465	5.0
99.08092	2.9
101.10841	1.4
103.05480	1.9
105.07030	27.1
107.07880	2.7
107.08595	52.9
109.02863	2.1
109.06519	13.5
109.10162	52.5
111.08099	10.2
111.11752	2.2
117.07063	3.5
119.08586	37.4
121.06521	6.5
121.10146	37.5
122.07329	1.7
123.08073	9.8
123.11703	18.3
125.09663	3.5
127.03927	3.7
129.07002	2.3
130.07837	1.6
131.08556	9.0
133.10141	35.2
135.04376	1.4
135.08052	9.7
135.11703	26.5
137.05945	2.0
137.09616	14.8
137.13255	15.1
141.09067	1.6
141.21666	1.5
142.07860	1.9
143.08566	4.4
145.10135	16.6
147.04431	2.9
147.08113	1.9
147.11696	26.5
149.09648	8.7
149.13266	19.3
151.07556	2.2
151.11209	4.6
151.14850	3.0
153.09143	6.0
155.08501	2.2
157.10165	6.7
159.11710	19.9
161.09586	3.2
161.13260	17.6
163.04070	1.5
163.11163	3.7
163.14828	19.3
165.09125	100.0
165.12788	5.3
165.16385	1.7
167.07036	1.6
167.10674	1.7
171.11702	5.1
173.09464	1.6
173.13258	15.2
175.11169	1.7
175.14798	10.5
177.12875	1.7
177.16357	10.7
179.14351	3.2
183.11743	3.3
185.13316	5.6
187.14819	10.7
189.12811	3.3
189.16338	12.3
191.10753	1.7
191.14365	5.5
191.17960	19.3
193.12346	2.3
197.13283	2.2
199.14839	5.8
201.16377	9.1
203.14336	2.2
203.17970	16.1
205.12250	9.7
205.15910	3.6
205.19505	4.9
209.15352	8.6
211.14764	1.9
213.04356	2.0
213.16364	5.9
215.18002	4.5
217.15915	5.4
217.19519	7.6
219.13776	2.3
219.17474	3.9
219.21133	1.8
221.15416	3.3
227.18001	2.2
231.17471	6.7
231.21046	3.1
233.15233	1.7
233.19136	2.9
235.16911	2.3
245.22729	2.3
247.20624	7.4
249.18578	4.7
259.20572	2.2
261.22165	1.5
273.22263	2.4
285.22211	1.6
403.33252	1.9
409.34729	18.2
421.34714	9.7
427.35693	18.2
439.15637	2.1
439.35791	33.7
457.26282	2.5
457.36954	31.6
458.37778	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	457.3677
Annotation	Supinenolone A
Peak:m/z	Relative Intensity
53.03949	3.6
55.05509	13.4
55.94666	1.8
56.65178	1.4
56.83614	1.7
57.03437	2.0
57.07067	4.9
65.03938	3.0
67.05505	28.0
69.03415	6.5
69.06778	1.8
69.07077	19.2
69.33246	2.6
69.33652	11.0
70.06579	4.6
70.51674	1.4
71.04986	3.7
71.08624	1.8
72.08160	3.1
72.68745	1.5
79.05494	17.6
81.03395	3.5
81.07062	61.2
83.05016	3.0
83.08620	10.0
84.08125	2.5
85.02894	5.5
85.06532	5.5
91.05492	16.9
93.07048	42.0
95.04969	21.0
95.08614	100.0
97.02874	4.9
97.06522	6.8
97.10171	4.9
99.04448	4.9
99.08079	3.1
103.91516	1.4
105.07036	31.7
107.07863	3.5
107.08600	59.3
109.02849	2.4
109.06519	13.6
109.10163	51.8
111.08081	10.6
111.11695	2.7
117.06981	5.4
119.08587	41.2
121.06519	7.8
121.10143	48.4
123.08084	9.4
123.11713	20.3
125.09623	5.4
127.03937	4.6
127.11203	3.5
129.07002	2.6
131.08583	9.6
133.10130	34.5
135.08078	7.6
135.11719	28.3
137.09636	8.9
137.13268	19.3
141.09053	2.6
142.03215	4.0
142.07759	2.3
143.08548	7.1
145.10129	20.4
147.08038	2.2
147.10643	2.5
147.11696	27.4
149.09613	6.1
149.13277	22.2
151.07547	2.9
151.11240	4.0
151.14841	2.4
153.09099	9.3
157.10127	11.8
158.10956	1.5
159.08029	2.1
159.11716	19.0
161.09651	3.3
161.13290	16.2
163.07570	1.8
163.11128	3.5
163.14835	21.4
165.09132	33.4
165.12764	1.9
167.07007	2.1
170.02667	2.5
170.11797	2.5
171.11687	7.1
172.12468	1.9
173.09592	2.1
173.13251	16.3
175.11191	7.2
175.14812	14.0
177.09071	2.6
177.12796	3.3
177.16388	16.5
179.14366	2.1
183.11754	3.2
185.13226	6.6
187.14865	8.4
189.16367	15.8
191.14320	6.2
191.17932	23.3
193.12199	1.9
193.16014	1.7
197.13219	3.3
199.14828	6.9
201.16437	11.6
203.14296	2.2
203.17975	15.0
205.12236	3.6
205.15833	4.4
205.19511	5.4
207.17378	3.2
209.15355	10.8
211.14845	1.8
213.16364	5.2
215.14334	2.0
215.17973	5.1
217.15871	7.0
217.19527	8.9
219.17447	6.5
219.21010	2.8
221.15364	2.4
229.15994	2.2
229.19498	2.7
231.17488	7.6
231.21066	2.0
233.15382	2.2
233.18958	4.2
235.16896	4.5
241.19537	2.1
245.18816	1.9
247.20566	6.8
249.18541	6.8
259.20633	1.7
295.48535	1.6
381.31320	1.7
409.34665	19.9
411.36160	2.0
421.34680	13.8
427.35712	21.5
433.05371	2.1
435.85129	1.5
439.29950	2.6
439.35779	41.8
440.36130	2.5
457.26721	2.2
457.36859	39.6
458.36636	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Swinniol
Peak:m/z	Relative Intensity
53.03945	6.4
55.05514	16.1
57.03436	5.5
57.07063	5.5
59.04991	3.2
65.03941	2.3
67.05510	28.9
69.03432	6.0
69.07071	21.8
70.06606	3.0
71.04966	4.6
71.08614	2.5
71.14647	4.0
72.08150	2.2
79.05497	18.9
81.03432	3.9
81.07061	59.7
83.04976	6.2
83.08624	11.1
85.02901	4.4
85.06571	5.0
91.05479	19.6
93.07050	41.3
93.07640	3.6
95.04970	22.9
95.08610	100.0
97.02886	8.4
97.06538	8.7
97.10181	7.1
98.75996	2.7
99.04453	7.1
105.07030	38.1
107.07864	3.7
107.08593	68.5
109.02905	3.0
109.06506	16.6
109.09464	3.8
109.10166	58.2
111.08096	13.7
117.07026	5.8
119.08585	50.4
121.06503	5.8
121.10144	52.9
123.08074	11.6
123.11705	25.8
125.09663	9.3
127.03957	4.5
128.06285	3.2
129.07013	3.5
130.07771	3.1
131.08612	12.8
133.10126	48.5
135.08028	10.9
135.11707	31.5
137.06004	4.6
137.09650	11.0
137.13266	24.7
139.11261	2.7
141.09042	2.3
143.08568	6.8
145.10129	20.7
147.08067	2.1
147.11703	31.7
149.09613	7.8
149.13255	26.5
151.07529	3.4
151.11221	4.1
151.14787	2.9
153.09120	6.5
157.10172	11.3
159.02908	2.5
159.08096	2.3
159.11673	19.8
161.09663	4.8
161.13254	17.8
163.11218	4.7
163.14841	28.4
165.09126	26.9
165.12706	2.0
167.07077	2.2
169.10165	2.4
171.11690	7.6
173.13295	17.1
175.11140	5.6
175.14845	15.5
177.09187	2.0
177.12767	3.0
177.16417	14.9
185.13310	4.7
187.11157	2.4
187.14851	11.7
189.12808	3.7
189.16354	14.2
191.14334	9.3
191.17915	28.6
197.13287	4.0
199.14848	7.6
201.16380	11.8
203.14380	3.0
203.17981	20.6
205.12256	3.0
205.15846	2.6
205.19582	9.1
209.13576	3.1
209.15349	14.5
211.14914	2.8
213.16373	6.1
215.14355	2.1
215.18001	4.8
217.15938	3.6
217.19453	10.9
219.17468	7.6
221.15388	3.4
227.18062	3.1
229.15887	2.8
229.19534	3.6
231.17439	9.7
231.21295	3.2
233.18990	3.9
235.16975	3.5
241.19577	3.4
244.07835	2.1
247.20630	8.7
249.18558	9.4
259.20535	2.8
261.18494	2.3
269.22525	2.6
285.22116	2.2
299.23737	2.4
309.81934	2.1
409.34656	26.3
421.34647	15.5
427.35754	26.6
439.35782	48.3
440.36691	2.9
457.36777	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
52.13834	3.4
52.45310	3.2
53.03946	3.3
53.15101	3.0
54.05605	3.0
55.05515	19.8
57.03420	3.0
57.07066	9.9
62.27938	3.2
65.03934	3.9
67.05509	30.0
69.07073	36.4
69.72719	3.1
71.08601	3.2
71.27679	4.6
78.52219	3.3
79.05489	20.6
81.07068	74.4
81.25914	3.1
83.04990	5.4
83.08618	17.3
85.06548	5.9
89.25578	3.0
91.05473	12.2
91.16839	3.4
93.07048	53.6
95.04983	3.5
95.08617	100.0
97.06537	4.8
97.10171	14.9
99.04462	4.6
105.07047	35.2
107.08598	70.5
109.10166	90.8
111.08079	4.1
115.07644	3.8
117.07032	6.5
119.08590	46.5
121.09322	4.7
121.10156	64.8
123.08080	6.0
123.11723	35.1
125.09654	3.8
131.08582	10.9
133.10146	39.5
135.11711	41.1
137.09625	5.4
137.13248	14.0
143.08569	7.4
145.10141	11.9
147.11694	32.0
149.09625	3.8
149.13261	19.9
151.11183	6.4
153.09117	7.9
157.10085	7.3
159.11688	17.2
161.13330	18.5
163.11194	4.2
163.14813	15.4
165.12741	3.6
167.10698	6.3
171.11646	7.7
173.13249	20.5
175.14827	19.9
177.12704	5.0
177.16380	21.2
179.14319	5.7
181.12216	7.6
183.11583	3.5
185.13213	3.2
187.14790	10.0
188.38695	3.2
189.16405	11.8
191.17970	8.7
193.15990	4.4
195.13870	10.5
199.14830	4.5
201.16397	13.5
203.17981	13.0
205.15845	7.2
207.17502	5.4
213.16322	4.0
215.17928	12.9
217.19569	6.6
219.17426	6.3
221.18938	3.4
223.16943	9.9
227.17816	7.1
229.19516	4.7
233.19043	5.3
237.18507	7.4
243.21007	5.8
249.18520	5.7
255.20842	3.7
261.22198	7.6
269.22574	5.1
273.22086	3.9
287.23669	5.3
301.25262	4.0
303.23172	4.6
317.24725	4.0
345.27539	4.8
385.29163	3.6
421.34497	10.8
427.35818	3.8
439.35776	44.5
440.36438	8.3
457.36816	61.3
457.43732	5.3
458.36871	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	457.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.05509	13.4
55.94666	1.8
56.65178	1.4
56.83614	1.7
57.03437	2.0
57.07067	4.9
65.03938	3.0
67.05505	28.0
69.03415	6.5
69.06778	1.8
69.07077	19.2
69.33246	2.6
69.33652	11.0
70.06579	4.6
70.51674	1.4
71.04986	3.7
71.08624	1.8
72.08160	3.1
72.68745	1.5
79.05494	17.6
81.03395	3.5
81.07062	61.2
83.05016	3.0
83.08620	10.0
84.08125	2.5
85.02894	5.5
85.06532	5.5
91.05492	16.9
93.07048	42.0
95.04969	21.0
95.08614	100.0
97.02874	4.9
97.06522	6.8
97.10171	4.9
99.04448	4.9
99.08079	3.1
103.91516	1.4
105.07036	31.7
107.07863	3.5
107.08600	59.3
109.02849	2.4
109.06519	13.6
109.10163	51.8
111.08081	10.6
111.11695	2.7
117.06981	5.4
119.08587	41.2
121.06519	7.8
121.10143	48.4
123.08084	9.4
123.11713	20.3
125.09623	5.4
127.03937	4.6
127.11203	3.5
129.07002	2.6
131.08583	9.6
133.10130	34.5
135.08078	7.6
135.11719	28.3
137.09636	8.9
137.13268	19.3
141.09053	2.6
142.03215	4.0
142.07759	2.3
143.08548	7.1
145.10129	20.4
147.08038	2.2
147.10643	2.5
147.11696	27.4
149.09613	6.1
149.13277	22.2
151.07547	2.9
151.11240	4.0
151.14841	2.4
153.09099	9.3
157.10127	11.8
158.10956	1.5
159.08029	2.1
159.11716	19.0
161.09651	3.3
161.13290	16.2
163.07570	1.8
163.11128	3.5
163.14835	21.4
165.09132	33.4
165.12764	1.9
167.07007	2.1
170.02667	2.5
170.11797	2.5
171.11687	7.1
172.12468	1.9
173.09592	2.1
173.13251	16.3
175.11191	7.2
175.14812	14.0
177.09071	2.6
177.12796	3.3
177.16388	16.5
179.14366	2.1
183.11754	3.2
185.13226	6.6
187.14865	8.4
189.16367	15.8
191.14320	6.2
191.17932	23.3
193.12199	1.9
193.16014	1.7
197.13219	3.3
199.14828	6.9
201.16437	11.6
203.14296	2.2
203.17975	15.0
205.12236	3.6
205.15833	4.4
205.19511	5.4
207.17378	3.2
209.15355	10.8
211.14845	1.8
213.16364	5.2
215.14334	2.0
215.17973	5.1
217.15871	7.0
217.19527	8.9
219.17447	6.5
219.21010	2.8
221.15364	2.4
229.15994	2.2
229.19498	2.7
231.17488	7.6
231.21066	2.0
233.15382	2.2
233.18958	4.2
235.16896	4.5
241.19537	2.1
245.18816	1.9
247.20566	6.8
249.18541	6.8
259.20633	1.7
295.48535	1.6
381.31320	1.7
409.34665	19.9
411.36160	2.0
421.34680	13.8
427.35712	21.5
433.05371	2.1
435.85129	1.5
439.29950	2.6
439.35779	41.8
440.36130	2.5
457.26721	2.2
457.36859	39.6
458.36636	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05503	2.3
57.07088	1.0
59.74081	0.7
67.05508	6.2
69.07069	4.4
69.53626	5.3
71.04986	2.0
79.05489	2.3
81.07064	10.8
83.04992	4.6
83.08614	2.2
91.05515	3.5
93.07049	8.0
95.04971	1.2
95.08615	19.5
97.06553	1.6
97.10153	1.2
98.20755	1.4
102.11210	0.7
105.07045	7.3
107.08603	14.9
109.06517	1.6
109.10164	13.6
109.10908	0.7
111.08035	1.6
117.07008	0.9
119.08593	9.7
119.29352	0.8
121.06507	2.2
121.10155	11.9
123.08092	1.4
123.11713	3.9
125.09684	0.9
126.93710	0.6
131.08583	2.5
133.10144	10.0
135.08076	2.1
135.11705	11.3
137.13252	1.8
139.07521	0.9
139.11212	1.0
143.08549	0.9
145.10133	2.9
146.72577	0.7
147.11676	6.1
149.09630	7.1
149.13283	3.2
151.11241	0.8
153.09140	0.8
153.12801	0.8
157.10104	2.4
158.11018	0.7
159.08118	0.8
159.11720	2.0
161.09691	1.9
161.13257	3.2
163.11162	1.4
163.14835	1.3
169.74373	0.7
173.13298	3.0
175.11189	1.6
175.14795	6.2
177.16415	1.8
183.11679	1.1
187.14830	1.9
189.12712	1.3
189.16415	9.0
191.17957	10.9
199.14825	1.8
201.16418	1.2
203.17976	4.6
205.15849	1.2
207.17448	9.4
209.19048	1.2
211.14717	0.7
213.16423	1.8
215.17888	0.7
217.15918	2.3
217.19598	0.7
221.19022	1.0
229.19492	0.8
231.17441	2.5
235.16995	2.2
245.19084	0.9
248.01921	0.8
249.18471	3.6
267.21219	0.8
285.22263	1.2
303.23276	3.1
407.06778	0.7
409.98050	0.7
427.35443	1.4
431.38077	0.7
439.35611	1.7
457.36798	100.0
458.37256	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	457.3677
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03938	7.8
55.05514	25.3
57.07089	7.5
64.42266	6.7
67.05514	44.2
69.07063	35.5
70.69088	13.5
70.69419	9.4
72.97147	6.0
75.91148	5.6
79.05495	23.7
81.07065	78.0
81.28064	6.5
83.08618	19.1
90.06090	5.4
91.05488	25.6
93.07068	48.7
95.08607	100.0
97.10178	13.2
105.07046	55.6
107.08607	87.9
109.10166	81.1
111.08115	6.0
115.07577	6.1
119.08592	56.1
120.96636	6.0
121.10146	64.1
123.08049	7.5
123.11718	23.2
125.09627	7.8
131.08577	24.4
133.10143	41.5
135.11703	42.0
137.13286	8.1
143.08659	6.6
145.10165	29.2
147.11708	31.0
149.09669	12.2
149.13297	25.2
157.10103	9.0
159.11736	21.8
161.13283	26.2
163.14864	13.6
167.10713	12.1
173.13271	17.5
175.14792	18.8
177.16396	30.2
187.14799	25.1
189.16426	33.7
191.14340	5.8
191.18044	11.8
199.14832	7.3
201.16393	44.1
203.14262	6.0
203.17969	32.6
213.16328	8.1
215.18057	15.5
217.19606	10.1
219.17480	12.4
223.17050	8.3
227.17973	7.5
233.19116	8.0
237.18539	7.9
249.18518	11.9
291.54181	5.6
294.37601	6.1
337.48373	5.8
421.34805	20.8
427.35822	20.3
439.35864	49.2
457.36752	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Aegicerin
Peak:m/z	Relative Intensity
53.03942	1.7
55.05511	4.2
57.07070	1.1
64.99019	0.8
67.05506	8.8
69.03433	0.9
69.07069	5.0
71.04962	0.6
79.05504	6.7
81.07059	12.8
83.04995	3.8
83.08620	1.8
91.05488	5.2
93.07046	14.5
95.04969	1.9
95.08611	18.4
97.06513	1.6
97.10176	2.0
105.07037	13.3
107.05011	0.6
107.08595	18.5
109.06509	0.7
109.10165	17.5
109.10923	0.8
111.08069	1.0
111.11682	0.5
117.07027	1.1
119.08588	12.2
121.06533	1.4
121.10152	21.1
121.11029	1.2
123.08073	1.5
123.11710	6.0
125.09634	2.0
131.08574	2.4
131.11218	0.7
133.10141	11.3
135.08083	1.9
135.11699	9.8
137.09618	1.2
137.13243	1.8
139.07538	0.6
139.11185	1.0
143.08569	1.5
145.10130	4.8
147.08096	1.1
147.11691	7.9
149.09630	35.0
149.13269	3.8
151.11191	2.3
155.08675	0.7
157.10135	3.2
159.11664	4.3
161.09659	2.9
161.13272	5.6
163.11159	1.1
163.14857	2.6
167.10669	0.9
169.10132	0.9
171.11742	1.9
173.09738	0.7
173.13275	4.0
175.11215	1.4
175.14836	7.8
177.12833	1.1
177.16399	4.6
179.14339	0.8
183.11734	0.9
185.13297	2.4
187.11052	0.8
187.14833	3.6
189.12866	0.9
189.16379	7.1
191.14285	0.9
191.17979	2.5
194.16414	0.7
199.14851	1.8
201.12741	1.6
201.16396	2.5
203.14403	3.2
203.17963	5.3
205.15970	1.1
205.19453	0.7
207.17538	1.5
211.14650	0.7
213.16408	1.8
215.14288	0.8
215.17955	1.2
217.15921	3.2
217.19472	1.5
219.17474	1.2
221.19054	2.7
227.17955	1.1
229.16087	1.1
229.19409	0.9
231.17465	2.3
235.16956	1.3
243.17351	0.7
245.19057	0.7
249.18573	3.0
257.22699	1.7
273.22195	0.7
285.22351	1.3
299.22964	0.6
303.23273	1.3
311.23407	0.8
339.26749	1.5
407.18256	0.6
421.34766	4.4
427.35907	1.9
439.35745	12.1
457.36813	100.0
458.37085	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3675
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
50.02563	3.5
53.03930	3.8
55.05513	21.5
57.07062	10.6
67.05506	32.1
69.07072	26.4
70.89825	8.1
78.36980	3.0
79.05506	15.9
81.07055	55.3
83.08630	20.1
85.06535	5.2
91.05471	14.3
93.07040	47.3
93.49875	3.1
95.08610	100.0
97.06504	9.1
97.10165	23.6
99.92719	3.4
105.07026	33.3
107.08598	69.9
109.09458	6.6
109.10155	75.3
111.11758	5.9
117.07111	3.4
119.08584	41.6
119.63158	4.3
121.10143	54.9
123.08094	5.9
123.11722	18.7
125.09609	4.5
127.08575	3.7
131.08548	7.9
133.10141	36.8
135.07983	6.5
135.11694	33.0
137.13245	9.2
141.65718	3.3
145.10132	16.5
147.11691	29.2
149.09633	6.3
149.13243	11.4
151.14825	3.9
153.09155	3.8
157.10086	4.5
159.11722	17.9
161.09665	6.0
161.13316	20.1
163.11154	5.7
163.14841	14.0
167.10651	13.1
171.11754	4.8
173.13232	13.3
175.11266	5.5
175.14833	12.1
177.12796	4.3
177.16382	14.6
179.10698	8.1
179.14304	3.6
181.12204	11.4
187.14821	9.2
189.12755	4.9
189.16403	20.3
191.17935	11.5
193.15891	3.8
195.13763	4.2
201.16371	14.3
203.17982	21.8
205.15877	8.1
207.17468	11.6
209.15485	5.7
213.16437	4.7
214.96112	3.5
215.17908	11.7
217.19452	9.6
219.17430	10.7
221.18996	5.0
231.17471	4.5
233.18887	9.2
235.16925	6.7
237.18449	7.4
247.20490	5.4
249.18427	8.3
251.20111	5.4
252.56923	3.5
261.22198	6.5
284.26578	4.2
301.48184	4.2
315.26733	3.6
326.22342	3.7
345.27844	5.7
403.33530	3.8
409.84207	4.0
411.36398	3.6
421.34500	15.4
427.35892	4.8
439.35669	33.0
457.35995	38.7
457.44122	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03955	0.9
53.10591	0.4
55.05516	3.3
55.90440	0.5
57.03425	0.5
57.07065	0.6
64.17876	0.4
65.03949	0.5
67.05170	0.7
67.05509	9.8
67.05870	0.5
69.03436	0.7
69.07073	6.4
71.04988	0.9
71.21249	0.5
79.05495	5.0
81.07064	11.2
83.05008	0.5
83.08615	1.5
84.04505	0.8
89.13307	0.5
91.05491	3.9
93.07045	10.5
95.04956	1.0
95.08611	11.0
97.06537	0.5
97.10213	0.6
105.07040	8.4
106.15678	0.4
107.08598	14.1
109.06509	1.3
109.10157	13.5
111.08071	0.9
111.11800	0.6
119.08588	11.3
121.06501	4.7
121.10152	12.4
123.08079	1.9
123.11720	3.0
125.09666	1.1
131.08600	1.2
133.06442	0.5
133.10144	5.7
135.08043	3.1
135.11703	6.2
137.09607	0.9
137.13264	1.1
144.09320	0.6
145.10138	4.2
147.11699	6.4
149.09653	4.4
149.13261	2.1
151.11259	0.6
151.52628	0.4
157.10092	1.0
159.08096	1.2
159.11693	5.1
161.09633	1.5
161.13263	7.5
163.11179	1.7
163.13593	0.5
163.14754	2.4
171.11746	1.2
173.09616	1.0
173.13268	2.5
175.11195	1.7
175.14867	2.3
177.12801	1.0
177.16350	0.7
183.11665	0.9
185.13338	0.6
187.11258	1.0
187.14871	1.4
189.12779	2.0
189.16425	2.3
199.14874	1.0
201.12802	1.4
201.16380	1.3
203.14372	2.0
203.17961	0.8
205.15897	0.8
213.16428	0.8
215.17958	0.9
217.16020	0.6
225.16441	0.5
227.14287	0.5
229.15955	0.8
231.17514	0.9
243.17363	2.1
249.18538	0.6
261.18512	1.5
303.23227	1.6
311.23953	0.5
315.23175	0.5
317.24719	4.2
329.24704	2.7
391.61627	0.5
421.34546	0.7
439.35895	2.9
457.36789	100.0
458.37381	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	457.3678
Annotation	5,19-Epoxycucurbita-6,23-diene-3,25-diol
Peak:m/z	Relative Intensity
53.03955	2.6
54.15306	2.2
55.01891	4.4
55.05505	13.8
57.03448	2.8
57.07084	5.3
61.13002	2.5
67.05504	12.6
69.03428	5.6
69.07072	53.2
70.74121	7.1
71.04997	4.7
71.75301	2.2
76.04021	3.0
78.46472	2.2
79.05483	14.3
81.03426	4.9
81.07063	28.8
83.08618	5.9
84.04501	29.4
85.06555	2.7
91.05464	11.4
93.07048	20.8
95.08626	30.2
97.06525	5.7
99.08095	3.3
105.07042	24.9
107.08602	37.5
109.02859	2.3
109.06513	6.9
109.10168	34.1
111.08029	3.3
111.11715	5.5
119.08591	29.5
121.06522	24.8
121.10145	27.7
123.08082	9.0
123.11739	12.3
125.09621	9.2
127.07502	3.4
129.06955	2.8
130.04185	2.5
130.04990	14.6
131.08580	8.6
133.06479	2.5
133.10133	14.8
135.08037	12.6
135.11720	13.6
143.08496	4.4
145.10112	13.3
147.08055	9.0
147.11731	13.2
149.09607	17.3
149.13263	4.6
151.11235	3.3
157.10147	6.6
159.08067	19.3
159.11676	15.2
161.09633	12.9
161.13278	18.9
163.11218	14.2
163.14774	3.7
165.12813	15.0
169.10112	3.0
171.11665	7.3
173.09625	7.2
173.13223	6.6
175.11188	19.6
175.14853	6.9
177.03307	2.6
185.13287	7.3
187.11166	8.4
187.14867	9.7
189.12750	24.1
189.16379	6.0
191.17917	4.1
196.67413	2.4
199.14853	5.4
201.12746	5.6
201.16385	8.1
203.14302	4.3
203.17998	6.9
211.14839	3.0
213.16455	3.1
215.14299	4.6
215.18030	4.1
217.15993	3.9
229.15895	10.6
231.17476	4.4
243.17494	24.1
247.16951	2.9
249.18436	6.6
255.17432	7.6
257.18860	3.0
259.16818	3.2
261.18567	27.2
267.21161	4.5
269.22610	8.2
273.18564	17.7
285.22208	4.1
299.23761	2.7
303.23199	4.9
305.21765	2.6
313.21429	2.6
315.23199	17.9
329.24768	87.7
332.20132	2.4
355.26337	5.1
357.27924	22.6
390.50232	2.6
421.34619	10.7
425.89597	2.6
430.61737	2.5
439.35757	100.0
445.18600	2.8
457.36719	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	457.3677
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
53.03946	3.5
55.01879	7.4
55.05511	22.5
57.03422	5.1
57.07075	4.9
59.05006	8.3
67.05508	27.7
69.03414	17.3
69.07073	26.3
70.02119	13.7
79.05497	30.4
80.37644	3.6
81.07059	64.3
83.04975	13.0
83.08613	13.1
85.06552	6.5
91.05493	25.3
93.07057	56.7
95.04900	3.7
95.08610	57.1
97.06549	12.8
105.07030	49.9
107.08598	100.0
109.06528	15.7
109.10165	67.7
111.08073	26.2
111.11808	3.5
117.07029	5.2
119.05978	3.5
119.08595	51.9
121.10151	49.2
123.08082	8.9
123.11705	15.4
125.09638	24.4
131.08583	9.9
132.78545	3.4
133.10123	39.8
135.11697	43.1
137.09621	10.0
143.08578	6.3
145.10112	26.3
147.11700	52.8
149.09660	3.8
149.13254	15.3
151.11201	5.0
153.12764	7.1
155.08594	3.6
157.10126	13.0
159.11697	30.9
161.13313	20.0
163.14835	10.6
163.18933	3.2
165.12752	75.8
171.11725	13.9
173.13284	18.4
175.14827	14.8
177.12782	3.2
177.16313	4.4
183.11659	4.3
185.13277	10.7
187.14853	17.6
189.16376	8.5
191.17993	7.9
193.12196	16.4
193.15875	7.4
199.14877	7.2
201.16385	41.9
203.17950	42.8
213.16362	14.5
215.18013	9.4
221.15477	3.9
227.17998	9.1
228.14755	3.4
231.17372	8.2
241.19528	7.1
249.18517	22.9
255.21132	7.6
257.22742	5.4
267.21118	4.4
269.22604	34.4
279.21201	5.7
287.23666	9.1
293.22717	4.0
305.24915	4.7
325.55786	3.5
347.27499	5.3
403.33530	29.2
421.34714	91.6
439.35941	24.1
457.36935	32.4
474.56067	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	7.6
55.01869	3.5
55.05507	7.0
56.05032	3.6
57.03443	12.4
59.04999	4.3
61.02924	4.0
67.05502	5.6
68.99794	2.0
69.03438	40.4
69.07059	5.0
69.99324	6.6
70.06590	25.2
70.49545	1.7
71.04990	10.7
72.08149	8.3
73.02926	7.8
76.86078	1.5
79.05508	3.1
81.03422	37.4
81.07063	5.9
83.04992	4.4
83.08613	4.4
84.04510	3.7
84.08150	84.2
85.02911	26.3
85.06544	2.5
86.09705	5.7
87.00850	8.3
87.04454	2.4
91.05477	8.5
93.07051	6.4
95.04977	18.0
95.08591	5.2
97.02921	12.2
97.06532	2.3
98.98476	20.7
99.04459	22.2
105.01874	3.7
105.07053	5.1
107.08604	7.3
109.02882	13.2
109.06510	4.7
109.10180	2.9
110.02400	1.7
110.07172	5.9
111.04468	2.5
112.07585	1.9
115.03954	1.8
116.07108	3.0
117.05503	11.7
117.07078	2.3
119.04935	6.5
119.08595	6.8
121.10155	6.2
123.04443	1.6
123.08076	4.2
124.07609	2.6
127.03929	21.6
129.07057	1.8
129.10246	10.4
130.08681	13.7
131.08586	3.6
133.10136	7.3
134.87918	1.7
135.08052	4.4
136.07619	7.2
137.05984	2.7
145.04974	4.8
145.06544	2.0
145.07567	7.5
145.10143	2.6
146.08311	2.4
147.04440	6.4
147.09142	2.7
147.11385	4.3
149.09671	4.3
151.07585	2.0
153.09116	4.2
157.07651	2.1
159.02917	3.1
159.09187	5.5
161.06000	1.7
161.13301	3.7
163.03879	4.7
163.05064	3.0
163.08685	5.3
163.11133	1.7
163.14832	2.3
164.07097	3.4
170.07138	2.7
171.09203	1.7
172.08714	31.2
173.07106	5.8
173.13264	6.0
175.08800	3.2
177.05457	2.5
181.09737	4.5
182.08150	2.5
184.08719	2.6
189.03943	2.4
191.14320	45.3
198.06601	8.8
198.10379	3.4
200.08165	5.0
207.13727	3.0
209.04524	3.8
209.09206	20.0
209.10837	2.4
209.15392	31.8
214.09755	3.7
216.07707	23.0
219.07614	2.2
224.11958	2.0
227.10220	8.5
227.16397	2.0
229.08502	2.7
231.05070	4.2
237.09299	1.8
243.08807	57.9
244.07156	2.9
252.11267	2.1
257.10263	1.9
277.15045	1.8
285.09869	1.7
295.16574	1.6
297.09827	1.9
323.11328	2.5
334.09683	2.4
341.12457	10.4
359.13528	44.2
377.14465	4.8
393.17938	1.6
396.09738	7.3
397.07983	1.7
414.10641	10.6
421.09253	5.1
439.10172	100.0
439.19666	4.7
440.10764	3.2
457.11267	35.0
457.20001	6.7
458.24905	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	457.3676
Annotation	Kuguacin B
Peak:m/z	Relative Intensity
52.72663	1.6
53.03943	2.0
55.01870	7.4
55.05515	16.9
57.03434	1.8
57.07071	4.6
59.04996	6.8
65.03942	1.7
67.05508	26.0
69.03435	11.1
69.07076	26.0
69.41669	14.0
71.04980	2.3
79.05497	22.3
81.07063	46.1
83.04982	7.6
83.08619	11.7
85.06534	5.3
86.61317	1.4
87.84202	1.5
91.05486	20.2
93.07050	43.4
95.04996	4.0
95.08613	51.6
97.06519	9.6
99.08097	2.1
105.07038	45.4
106.59145	1.6
107.08599	84.6
108.08900	1.4
109.06533	16.0
109.10164	68.9
111.08087	27.1
111.11730	2.2
117.06995	4.2
119.08590	49.8
121.06546	2.8
121.10145	35.0
123.08079	8.0
123.11739	11.7
125.09632	19.7
129.07018	2.1
131.08572	11.0
133.09125	1.8
133.10141	37.2
134.10327	1.8
135.11700	41.1
137.06020	1.7
137.09634	13.1
137.13240	5.9
139.07530	6.3
139.11163	7.2
143.08560	5.9
144.09349	2.8
145.10129	25.8
147.11693	50.3
147.42511	1.5
149.09587	3.1
149.13255	14.4
149.71887	1.9
151.11177	4.9
153.12747	4.5
157.08827	2.3
157.10149	13.9
159.11710	27.3
161.09686	2.0
161.13249	11.3
163.11214	3.5
163.14825	6.3
165.09126	3.1
165.12772	52.5
169.10091	3.1
170.10896	1.9
171.11684	11.8
173.13266	14.5
175.11229	5.5
175.14786	9.8
177.12793	3.2
179.14279	1.9
183.11681	3.7
184.12242	1.9
185.13281	7.6
187.14819	22.7
189.16321	5.9
189.94077	1.7
191.14372	2.9
191.17944	5.0
193.12239	24.6
193.15822	7.8
195.11615	2.4
197.13237	3.0
199.14836	8.6
201.16396	44.0
203.14243	1.8
203.17972	32.6
209.13246	4.8
211.14830	6.1
213.16400	15.9
215.17946	7.3
221.15421	3.2
223.14810	2.9
225.16283	4.2
227.17914	9.8
229.19519	3.7
231.17517	6.9
233.19023	2.4
237.16295	2.1
239.17880	2.8
241.19427	3.3
249.18517	26.6
251.17940	3.2
253.19519	4.6
255.21095	3.3
257.22742	6.0
267.21094	6.9
269.22635	31.6
279.21103	2.8
281.22726	3.0
287.23660	7.4
293.22623	4.3
295.61609	1.7
305.24710	7.0
311.23456	2.4
329.24658	3.9
333.25873	2.2
347.27301	2.0
350.81699	1.6
403.33591	30.3
404.33945	2.0
421.34665	100.0
422.34970	3.6
439.35806	15.6
457.36932	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45179	1.6
53.03939	3.9
55.01877	10.0
55.05516	13.3
55.30397	1.8
57.03423	3.7
57.07085	3.4
57.41450	1.9
57.83332	1.7
59.05008	2.0
61.02936	3.2
67.05505	10.4
68.99792	2.5
69.03088	2.0
69.03438	30.5
69.07075	14.2
69.88173	10.5
70.06601	3.6
71.05002	10.5
72.08170	4.0
73.02914	4.3
79.05486	7.8
81.03430	22.2
81.07060	18.5
83.04984	22.6
83.08625	11.0
84.08186	2.3
85.02912	34.4
85.06550	4.3
86.09708	3.1
87.00843	13.5
91.05489	12.0
93.07059	16.6
95.04977	20.6
95.08617	29.4
97.02892	16.7
97.06532	8.7
99.04486	10.5
99.08093	6.9
103.03951	4.9
105.01881	7.5
105.07034	18.1
107.04949	3.0
107.08595	40.7
109.02876	15.6
109.06529	18.8
109.10170	28.7
111.08099	4.8
113.09667	1.9
117.06998	3.1
119.08584	10.2
121.06534	10.4
121.09318	2.9
121.10159	40.7
122.07281	2.1
123.08062	11.9
123.11725	6.4
124.07619	2.0
125.06001	5.2
125.09628	14.8
127.03946	15.4
127.04841	2.7
129.01840	2.6
129.07008	2.4
131.08585	6.3
133.06465	1.7
133.10143	21.8
135.08061	20.4
135.11710	6.2
136.34851	2.2
137.05989	3.8
137.09622	14.3
139.11185	15.3
145.04947	4.4
145.10124	4.7
147.07962	2.0
147.11711	11.3
149.05957	4.4
149.09650	14.5
149.13254	25.2
151.07642	2.3
151.11195	93.7
153.09105	9.6
158.10979	3.0
159.02956	7.3
159.11685	2.8
163.07448	1.9
163.11375	2.4
163.14859	16.7
165.09143	5.1
165.12775	8.8
167.06992	4.3
167.10623	2.1
173.13298	17.2
175.11241	2.4
181.12254	17.9
189.03966	5.0
189.12730	2.0
191.07088	1.8
191.14325	88.5
203.69020	1.8
209.08099	2.3
209.15385	100.0
231.05098	3.4
233.15398	3.7
271.07993	2.3
275.16476	2.0
281.04813	1.9
345.20892	1.8
354.96381	1.9
439.20114	3.4
457.20728	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05710	1.2
55.05498	1.4
57.03431	1.3
62.37936	1.2
67.05517	2.8
69.03432	6.8
69.07070	2.1
69.16760	1.4
70.89622	3.3
73.92233	1.2
79.05498	4.8
81.07045	5.2
83.04987	2.1
85.02913	2.5
91.05482	5.5
93.07043	2.9
95.04980	3.5
95.08636	2.1
97.02883	2.9
99.04472	1.4
100.86777	1.2
103.57062	1.2
105.01853	1.6
105.07037	7.6
107.04950	3.9
107.08609	15.0
109.02869	1.9
109.06538	3.1
109.10149	4.6
115.05398	1.3
117.07071	2.3
119.08558	1.9
121.06525	1.7
121.10139	8.8
122.07280	3.4
127.03917	2.8
131.08549	2.9
133.10136	100.0
135.08026	7.5
137.09622	54.7
146.09618	2.8
147.11635	1.3
149.13261	11.7
163.14850	2.2
173.13277	4.9
173.18358	1.3
191.14313	49.0
191.16098	2.7
209.15387	3.9
329.74039	1.2
337.26910	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01877	2.7
57.03431	1.1
57.22007	0.7
61.02916	1.3
65.03928	1.1
67.05502	2.3
69.03440	5.4
70.89482	1.1
70.89825	1.8
71.04995	5.0
73.02923	1.5
81.03421	8.3
81.07040	1.2
83.04976	1.5
85.02907	14.0
85.06541	1.0
87.00830	6.4
93.07027	1.7
95.04975	100.0
97.02895	5.3
99.04462	21.9
105.01859	4.3
105.07035	1.2
109.02882	7.0
109.06477	0.9
109.10177	7.4
110.29913	0.7
111.08112	1.2
117.01844	1.7
121.10188	1.0
125.06226	0.7
127.03925	10.1
129.01880	1.0
133.10138	3.6
134.76703	0.9
135.08081	1.2
137.05962	1.5
145.04987	4.2
149.09666	1.6
153.09111	30.2
159.02954	3.5
167.28787	0.8
173.13263	3.2
178.71857	0.8
183.99246	1.0
191.14412	4.0
209.15382	56.4
210.15872	1.4
231.05029	1.1
249.86583	0.9
309.24078	0.8
482.82404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
54.76927	1.5
55.01863	4.7
55.05508	6.0
57.03432	4.1
57.07057	2.9
59.04995	1.7
61.02925	2.1
67.05499	6.0
68.99767	1.9
69.03433	19.7
69.07070	4.5
70.06580	2.4
70.81303	3.9
71.05000	7.4
72.08152	1.9
79.05476	6.7
81.03419	15.7
81.07066	17.3
83.04970	5.8
83.08645	10.1
84.08141	1.6
85.02914	27.0
85.06557	2.7
86.09691	1.8
87.00848	11.8
91.05480	4.1
93.07038	6.4
95.04975	100.0
95.08611	5.2
96.05314	1.5
97.02341	2.1
97.02895	12.1
97.06538	5.6
99.04459	24.6
103.03918	3.2
105.01862	6.0
105.07040	7.5
107.08601	10.3
107.09206	1.5
109.02888	13.9
109.06545	9.1
109.10163	14.5
111.08071	6.4
117.07000	1.7
119.08575	4.7
121.06509	5.8
121.10148	9.3
123.08065	5.3
123.11713	5.1
127.03929	22.6
131.08543	2.4
133.10144	10.7
135.04442	1.6
135.08060	12.8
137.05994	2.5
139.11154	2.8
145.04976	6.6
145.10123	2.9
147.02971	1.6
147.11656	2.0
149.02380	2.0
149.09637	24.0
149.10759	2.8
149.13255	6.9
151.07561	2.8
151.11163	4.5
153.09114	31.1
159.02919	8.0
163.03943	1.7
167.14366	10.2
173.13280	6.4
181.12238	4.2
191.14282	12.2
194.02017	3.7
209.04459	34.8
209.15373	73.2
211.52077	1.6
215.14134	2.2
231.04968	3.8
231.79707	1.6
233.15472	2.6
268.65482	1.8
335.18375	1.7
353.19751	1.9
375.19193	1.7
439.19543	3.0
457.20578	3.0
463.74225	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01884	3.5
55.05515	1.9
55.71665	0.7
57.03435	2.0
59.04992	2.6
61.02923	1.8
62.78965	0.6
63.06191	0.6
65.03939	0.9
66.03772	0.6
67.05507	4.5
68.99806	1.2
69.03436	9.6
69.07075	2.6
69.36396	2.6
69.36826	3.5
70.06604	2.6
71.04993	5.9
72.08163	2.5
73.02917	2.5
79.05498	2.2
81.03426	9.6
81.07067	4.1
83.04993	1.9
84.04536	0.8
84.08158	1.0
84.44661	0.8
85.02913	15.5
85.06535	1.5
86.09705	6.5
87.00841	6.8
87.04452	3.8
89.06039	1.5
91.05501	1.9
93.07025	3.6
95.04975	100.0
95.08619	3.2
97.02896	8.7
97.06524	1.5
99.04456	26.9
103.03993	0.8
103.05491	0.9
105.01868	4.1
105.07042	4.0
107.04997	1.2
107.08606	2.6
109.02898	8.8
109.06517	2.4
109.10162	9.5
111.08099	1.2
117.01875	1.6
117.05523	1.4
119.04966	0.8
119.08585	0.9
120.08092	1.1
121.10172	2.1
123.08099	1.1
123.11683	1.0
127.03923	14.2
128.10715	1.1
131.08591	2.3
133.06441	0.9
133.10127	5.3
135.08040	1.3
135.11757	1.1
137.05971	1.9
137.09605	1.4
139.11192	1.4
145.04955	4.0
145.10149	1.3
147.04420	0.8
149.09642	2.1
149.13318	1.6
151.07553	1.7
151.11211	1.9
153.05496	0.7
153.09117	30.6
159.02953	5.5
163.03876	1.2
163.14883	1.2
167.06963	1.0
172.10875	1.3
173.13318	3.5
191.14308	5.4
193.08638	0.9
209.15376	61.1
210.15613	0.7
213.03931	0.9
231.05064	2.7
243.10254	0.8
255.11432	1.2
256.11636	0.9
286.47726	0.7
315.13379	5.1
316.13702	10.3
457.24033	10.7
457.31290	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.01880	4.2
55.05526	1.7
57.03445	3.3
61.02911	1.6
67.05507	4.5
67.69370	1.1
68.99823	1.8
69.03432	10.5
69.07085	1.6
70.06603	11.2
71.04987	5.8
71.54380	1.9
72.08161	5.2
73.02921	3.0
79.05499	1.9
81.03421	10.0
81.07043	5.3
83.05006	2.0
83.08665	1.4
84.08141	6.7
85.02915	19.8
85.06554	1.5
86.09711	3.1
87.00837	5.6
91.05476	2.2
93.07021	2.9
95.04977	100.0
95.08638	1.8
97.02911	8.2
98.06120	1.1
99.04462	27.1
103.81839	1.2
105.01875	2.8
105.07033	2.4
107.04990	1.4
107.08614	3.3
109.02892	9.7
109.06540	2.4
109.10163	10.2
110.06105	1.1
110.07162	4.0
111.08122	1.5
119.04940	1.3
119.08601	1.4
120.08137	1.2
121.06525	1.5
121.10190	2.6
123.04416	1.2
123.08092	1.4
124.07610	3.7
124.96114	1.1
126.09167	5.0
127.03921	12.8
127.11221	1.1
131.08601	1.3
133.10126	6.1
135.04366	1.6
135.08099	3.1
136.07614	2.6
137.06000	2.7
138.09163	8.7
140.07066	4.1
145.04959	5.5
149.13261	1.7
151.07564	1.4
152.07042	5.5
153.09117	29.9
158.08107	1.9
159.02895	4.4
163.03940	1.7
173.13269	3.9
177.05496	1.4
179.48236	1.1
191.14325	5.7
209.04521	2.8
209.15382	58.5
214.12323	1.3
231.05072	3.0
259.14462	7.0
277.15543	6.6
295.16678	6.0
303.10370	1.2
457.21231	3.2
458.25031	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01875	3.3
55.05508	6.0
57.03442	2.2
61.02917	3.8
65.03939	2.2
67.05507	9.8
69.03432	39.2
69.07068	9.5
69.59544	8.5
70.06594	5.4
71.04992	4.1
72.08133	3.7
73.02915	2.7
79.05504	6.1
80.98383	1.3
81.03429	10.2
81.07061	13.0
83.04991	6.6
83.08617	2.1
84.08143	1.9
85.02898	18.7
85.06542	3.4
86.09711	3.5
87.00838	7.4
87.04427	1.5
91.03973	1.4
91.05482	11.4
93.07051	12.5
95.04975	17.0
95.08610	12.8
97.02901	11.2
97.06539	7.9
97.10178	1.5
99.04448	7.5
99.08074	1.6
105.01885	4.3
105.07021	10.3
107.04977	1.9
107.08607	22.4
109.02906	9.0
109.06525	7.0
109.10158	9.3
111.04433	1.9
111.08066	3.7
117.07037	2.8
119.08566	9.6
121.06523	9.2
121.10152	16.5
123.08085	5.2
123.11703	6.6
125.09631	13.5
127.03929	15.8
129.01772	1.4
129.06961	2.4
131.08575	8.9
133.06535	1.6
133.10143	16.4
135.04454	1.6
135.08058	16.1
135.11710	6.1
136.06158	1.7
137.05991	5.0
137.09631	5.7
143.08571	2.9
145.04965	4.2
145.10181	6.7
147.04474	1.8
147.08128	1.6
147.11694	16.2
149.05902	1.5
149.09633	8.2
149.13277	8.6
151.07561	2.1
151.11188	1.9
153.05493	1.7
153.09146	9.7
154.84662	1.4
157.10226	1.4
158.10927	2.8
159.02921	3.6
159.11757	2.1
161.05965	1.9
161.09686	3.5
161.13362	1.8
162.07806	1.7
163.03946	1.4
163.11143	3.5
163.14796	4.1
165.09103	9.3
165.12808	2.2
167.07047	2.9
171.11702	1.8
173.13261	19.8
176.11986	1.9
177.05478	2.7
177.09094	1.8
189.16418	1.5
191.14308	100.0
192.14664	1.5
197.13275	1.3
197.59773	1.3
209.08305	1.5
209.15372	85.2
210.05846	2.6
231.05157	1.8
246.38623	1.5
325.71677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59335	1.0
53.03935	1.3
55.01876	1.3
55.05281	1.2
55.05514	8.2
57.07081	8.7
59.05002	1.7
67.05503	8.4
69.03442	4.9
69.07076	17.4
70.06586	3.0
70.74299	2.4
71.08621	3.0
79.05497	13.3
81.07063	28.9
83.08620	7.2
85.06551	1.8
85.10190	2.5
88.07633	3.4
89.06020	3.5
90.94574	1.0
91.05484	10.4
93.06473	1.8
93.07052	31.7
95.04972	2.6
95.08614	34.8
97.06544	4.7
97.10179	1.9
102.09185	1.9
105.07032	16.3
107.08602	73.4
108.52931	0.9
109.06514	3.5
109.10165	18.8
111.08067	3.9
111.11685	1.2
113.09716	1.8
117.07013	3.0
119.08597	23.0
121.10146	33.8
123.08074	1.3
123.11729	9.8
125.09612	5.8
129.06985	1.3
131.08585	6.9
133.08600	1.9
133.10152	13.2
135.08043	1.9
135.11700	19.7
137.09656	1.2
137.13237	6.0
139.11168	2.0
143.08545	2.1
145.10135	9.9
147.11703	18.1
149.09622	1.2
149.13274	23.4
151.11168	1.1
151.14795	7.5
153.12723	1.0
157.10170	5.4
159.11678	10.4
161.13245	7.2
163.14832	100.0
164.15062	1.5
165.12747	1.0
167.67110	1.1
169.10060	1.1
171.11696	4.9
173.13281	7.5
175.11156	1.2
175.14813	3.0
177.16409	2.4
179.14328	1.9
183.11649	1.9
185.13210	5.4
187.14784	8.1
189.16365	5.0
191.14322	1.8
191.17960	7.9
197.08049	1.4
197.13255	1.4
199.14818	4.4
200.20134	6.1
201.16399	7.8
203.17993	7.8
205.15840	1.1
207.17381	2.0
211.14746	1.2
213.16403	4.1
215.17899	1.8
217.19533	2.4
227.17928	5.1
229.15967	0.9
229.19537	6.3
237.14777	1.9
238.15266	1.6
241.19667	1.2
245.18980	2.2
247.20569	16.0
249.29057	1.0
255.21063	1.8
257.22659	2.2
267.21115	2.4
269.19894	1.8
269.22675	22.1
273.21988	1.2
283.26416	7.6
287.23730	7.8
305.24820	5.2
419.36960	9.7
437.38602	5.3
455.33438	2.3
455.38718	10.8
456.44199	13.9
475.73730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
53.03950	5.4
53.29063	5.4
55.05510	29.4
62.93943	4.8
64.77455	4.5
66.34306	5.2
67.05514	59.3
69.03432	7.1
69.07066	33.2
70.12384	16.2
70.27267	4.7
70.45298	4.7
71.05006	9.5
71.17159	5.0
72.08145	13.0
73.02915	5.2
79.05502	44.8
81.03433	6.0
81.07065	83.1
83.04993	6.3
83.08611	22.3
85.06538	10.1
91.05485	35.6
93.07054	68.9
95.04988	8.2
95.08614	100.0
97.06528	9.3
97.10188	10.6
99.04440	10.2
104.59460	4.7
105.07026	86.0
107.08606	80.1
109.06544	14.2
109.10161	77.1
111.08101	9.2
117.07016	15.2
119.08595	94.0
121.06490	6.0
121.10132	73.0
123.08038	9.1
123.11726	20.9
125.09641	10.9
127.68587	5.2
128.01067	7.0
129.06984	8.4
131.08566	27.3
133.10127	55.3
135.08034	10.4
135.11703	50.7
137.09633	8.6
137.13261	8.9
139.11198	6.4
143.08589	20.7
145.10121	50.5
147.11699	52.2
149.09621	12.9
149.13229	34.4
151.11230	8.4
157.10202	23.8
157.23856	5.1
159.11659	39.3
161.09688	8.9
161.13287	38.7
163.11250	7.3
163.14818	23.3
165.09146	6.1
167.10570	5.5
169.10089	9.7
171.11671	16.9
173.13272	25.1
175.11127	6.3
175.14787	34.8
177.16422	31.7
183.11684	9.4
185.13307	17.4
187.14828	30.5
189.16426	38.3
191.17999	19.3
197.13300	5.8
199.14819	27.9
201.16408	32.7
203.17888	28.8
205.15964	10.3
207.17445	7.3
213.16348	23.7
215.17920	15.7
217.15936	12.7
217.19579	15.7
219.17526	9.3
227.17923	9.5
229.19424	8.6
231.17596	5.4
235.17027	7.5
255.21002	7.8
257.19272	5.2
269.22537	6.6
367.30051	8.3
379.30045	6.3
401.31931	5.9
407.32916	8.2
419.33197	14.3
425.34052	37.5
437.34198	55.7
455.29803	6.5
455.35443	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2132
Annotation	Renieramide
Peak:m/z	Relative Intensity
53.03940	1.1
55.01862	2.3
55.05510	1.4
64.52839	0.8
65.42860	0.8
67.05505	7.3
68.05017	0.6
69.03420	1.9
69.07076	6.3
70.06596	4.2
71.04983	1.3
71.55119	1.0
72.08142	1.2
79.05497	2.6
81.03424	1.7
81.07060	2.0
85.02905	2.0
86.09715	0.9
86.37350	0.8
91.05466	2.2
93.07077	3.1
94.06571	0.8
95.04965	2.3
95.08612	16.2
96.04501	0.6
96.08182	0.9
97.02884	1.5
97.06538	0.7
98.06074	0.9
99.04440	0.9
101.86079	0.6
105.07034	1.7
107.08595	1.3
108.04447	1.6
108.08120	0.8
109.06522	2.4
110.06014	1.1
111.08085	0.9
111.91291	0.6
112.07603	1.0
112.17369	0.6
119.08599	1.2
120.08146	3.5
120.08839	0.6
122.06039	1.5
123.04460	1.3
123.08099	1.1
124.07602	2.5
125.05960	0.6
131.07280	0.6
131.08633	0.7
133.10103	0.8
136.07574	1.9
136.11188	1.5
138.09120	2.1
140.07051	9.7
146.06046	1.3
146.09608	1.4
147.08069	0.7
148.07571	4.1
148.08542	0.7
150.09146	0.8
152.07025	1.3
154.08614	2.1
159.09274	0.7
160.07590	1.1
161.07089	0.7
162.09183	1.4
163.08702	0.9
164.07047	1.1
164.10722	19.9
167.07010	1.1
168.06551	2.2
174.09181	3.4
176.29413	0.6
177.06633	0.8
177.10207	1.2
178.08603	4.1
186.09171	0.7
187.08658	0.8
188.10809	1.0
191.11922	0.8
192.08498	1.5
192.10204	29.0
194.08157	0.7
199.08688	3.5
200.07343	1.0
201.10193	3.2
202.08646	1.2
205.09792	1.6
209.15288	0.8
213.10196	2.8
215.08211	1.2
215.11856	2.3
219.11311	1.2
219.71768	0.6
220.09665	0.9
225.10237	2.6
226.08693	1.4
227.08160	2.0
227.11761	4.9
228.12447	0.7
229.09747	2.6
229.13237	1.3
230.08089	1.0
231.11577	0.7
240.09222	0.7
240.12512	0.8
241.09798	2.1
241.13297	1.5
242.10420	1.7
243.11340	2.0
247.10654	1.4
251.11780	1.3
253.13396	0.8
255.11285	11.2
257.12903	1.5
259.14493	3.2
265.11856	56.4
266.12137	0.9
269.09387	0.7
269.12860	4.6
271.14236	1.3
273.12238	1.4
275.14026	1.9
283.10754	2.4
285.12488	0.7
287.13913	13.8
289.11835	4.6
289.15451	2.5
291.13571	1.2
296.11722	0.9
297.12433	5.7
298.13065	1.2
299.13904	1.4
301.11798	5.6
303.13452	3.2
315.13391	49.9
316.13870	2.0
317.11591	1.1
317.14987	3.9
319.12936	0.9
329.11273	1.6
333.14481	2.5
364.32568	1.0
383.15582	1.0
393.18213	1.0
411.19144	3.0
428.21939	3.1
438.20221	8.9
456.21313	100.0
457.21725	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	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.8
55.01859	4.1
55.05303	2.2
55.05511	24.4
57.03424	5.2
57.07064	9.0
67.05507	52.5
69.03434	10.7
69.07072	36.3
70.06577	5.3
70.46156	2.1
70.84290	2.3
71.04984	6.1
72.08151	4.0
79.05492	28.0
81.03410	7.7
81.06580	4.7
81.07059	86.7
83.04991	6.2
83.08614	18.4
84.08098	2.1
85.02901	8.3
85.06541	5.6
87.04425	2.4
91.05488	24.5
93.07043	55.0
93.38563	2.3
95.04945	6.9
95.08607	100.0
95.29682	2.1
97.02878	14.7
97.06535	10.2
97.10162	13.0
98.20618	3.9
99.04458	3.1
99.08061	3.3
103.05463	1.9
105.07037	47.4
107.08598	78.6
109.06506	8.7
109.10161	74.6
111.04423	5.0
111.08076	8.1
111.11668	3.4
113.09628	2.4
117.07018	7.8
119.08585	55.3
119.30613	2.1
121.06543	4.4
121.09316	4.3
121.10152	68.4
123.04472	3.0
123.08066	8.7
123.11715	43.9
125.09615	8.9
127.03937	3.0
129.06982	4.4
131.08577	23.4
133.10143	38.0
135.08044	7.6
135.11702	48.9
137.05978	3.4
137.09618	6.2
137.13229	13.7
139.11189	3.1
142.07715	2.6
143.08557	9.0
144.09323	4.1
145.10127	61.5
147.04373	2.1
147.11700	29.7
149.02269	3.3
149.09653	13.9
149.13269	28.6
151.07516	3.2
151.11223	3.4
153.05504	2.5
153.09044	3.7
155.08553	2.5
157.10127	13.7
159.08052	3.4
159.11690	46.6
161.09627	3.5
161.13284	34.1
163.11168	9.2
163.14819	13.9
165.09125	13.2
169.10110	4.5
171.11696	8.9
172.12422	3.3
173.09612	5.2
173.11812	2.7
173.13234	24.2
175.11221	5.2
175.14786	14.2
177.09061	2.8
177.16418	12.2
183.11742	3.9
185.13266	6.1
187.14835	23.1
189.12755	3.9
189.16351	15.4
191.10707	4.8
191.14308	3.6
191.17960	90.0
193.05017	2.8
195.10117	2.6
197.13232	2.7
199.11098	2.9
199.14828	4.0
201.16386	71.5
203.17946	18.2
205.12178	5.2
205.15953	6.9
205.19484	7.8
207.13762	2.5
211.14787	3.6
213.16344	5.3
215.17938	3.7
216.86569	2.4
217.19545	14.9
219.13872	5.1
219.17400	23.0
219.20888	2.8
229.15829	6.3
231.17520	2.5
231.21034	2.5
233.15402	14.0
245.15283	2.7
245.22974	2.9
247.16940	34.3
251.16388	3.5
265.17975	7.6
334.40112	2.3
367.26263	2.3
391.33548	3.8
437.34454	12.6
450.14658	2.8
455.27237	10.2
455.35086	52.0
456.35703	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	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
55.01866	3.1
55.05506	23.3
56.96566	2.6
57.03431	3.3
57.07059	7.7
59.05000	2.3
65.03923	2.4
67.05509	46.4
69.03410	8.6
69.07072	38.5
70.06568	6.9
71.04989	8.1
72.08131	3.8
73.52457	2.1
79.05498	28.5
81.03421	5.0
81.07058	84.1
83.04983	7.3
83.08612	18.0
85.02905	7.6
85.06530	6.0
86.61603	2.7
91.05473	26.7
93.07049	66.4
95.04977	7.5
95.08610	100.0
95.10576	2.5
97.02892	13.4
97.06544	5.2
97.10179	11.7
99.08081	3.8
105.06394	3.7
105.07040	50.0
107.04934	3.4
107.08602	89.1
109.02895	2.6
109.06511	10.7
109.10163	76.9
109.10917	4.0
111.04450	6.0
111.08078	9.9
116.98589	2.8
117.06990	8.0
119.08575	54.9
121.06458	5.3
121.10146	69.6
123.08068	7.6
123.11721	47.0
125.06001	4.8
125.09665	5.9
127.03864	2.9
127.11186	3.9
129.07001	4.1
131.08560	24.5
133.06548	2.5
133.10138	36.5
135.07092	2.2
135.08052	7.8
135.11690	51.8
137.05975	5.0
137.09616	5.5
137.13257	16.3
142.07774	3.9
142.60167	2.4
143.08527	7.6
143.27492	3.0
145.10123	70.8
145.88734	2.4
147.04407	4.3
147.08083	5.6
147.11700	35.0
149.09627	10.4
149.13298	24.3
151.14816	2.6
155.08542	3.5
157.10124	15.0
158.10896	3.8
159.08043	2.8
159.10455	3.7
159.11691	44.7
161.09641	5.3
161.13243	31.5
163.11198	8.9
163.14841	14.4
165.09099	21.1
167.07040	4.1
169.10069	5.9
170.67198	2.4
171.11687	10.6
173.09637	3.8
173.11880	4.6
173.13249	29.1
175.07535	2.8
175.11212	8.6
175.14854	14.7
177.09068	2.7
177.12686	2.6
177.16383	14.7
179.10603	3.3
185.13258	7.1
187.11220	3.7
187.14847	28.5
189.12686	5.6
189.16388	18.3
191.10696	4.4
191.17963	95.9
199.14781	7.4
201.16388	87.0
203.10722	2.6
203.14279	3.2
203.17952	24.8
205.12241	4.2
205.15846	7.6
205.19501	10.1
207.13878	3.6
209.11758	6.6
211.14888	3.1
213.16377	4.1
215.17957	2.6
217.15945	4.2
217.19537	16.4
219.17406	28.1
227.12894	2.8
229.15852	5.7
229.19496	3.1
233.15329	14.6
237.02687	2.8
245.15547	2.8
247.16959	34.7
251.16397	2.8
265.17966	6.6
409.34622	3.8
419.33249	3.9
437.34363	13.9
455.25476	6.7
455.35394	70.2
456.35034	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	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01875	2.6
55.05511	18.9
57.03434	3.0
57.07063	9.0
59.04990	2.6
65.03944	3.3
67.05166	3.5
67.05508	42.1
69.03431	7.9
69.07076	29.3
69.68668	2.0
70.06592	3.7
71.04990	5.5
71.47112	2.3
71.47453	2.6
72.08159	4.1
73.02892	3.9
79.05495	28.6
81.03436	4.9
81.07061	88.0
83.04961	9.3
83.08604	13.2
85.02907	9.6
85.06551	4.5
91.05489	26.9
93.07053	57.2
95.04962	8.4
95.08613	100.0
97.02892	11.5
97.06545	11.6
97.10168	8.4
99.04448	4.2
99.08070	3.4
105.07037	50.9
107.08600	75.5
109.06519	9.2
109.10157	67.8
109.53020	2.6
111.04456	2.4
111.08070	7.7
115.03933	2.3
117.07035	7.7
119.08583	54.7
121.06523	4.4
121.10147	70.6
122.68667	2.2
123.08069	8.0
123.11715	43.9
125.09629	4.7
127.03905	4.4
129.07022	3.5
131.08560	24.4
131.56638	2.1
133.10132	33.7
135.08020	10.3
135.11708	41.0
137.05975	3.6
137.09642	6.5
137.13240	16.7
139.11218	4.6
143.08578	6.5
144.09447	2.6
145.09138	2.2
145.10130	61.4
145.11279	3.8
147.11703	34.5
149.08549	2.2
149.09634	11.0
149.13266	24.0
153.09186	3.0
157.10069	10.4
159.08005	2.6
159.11700	48.5
161.09685	5.1
161.13287	29.5
163.11147	8.2
163.14822	20.7
165.09090	13.1
167.07071	2.9
169.10072	3.1
171.11673	8.7
173.11839	1.7
173.13257	33.2
175.11191	4.8
175.14839	16.6
177.12714	3.0
177.16374	13.4
179.10652	2.4
181.12167	2.5
183.11693	2.6
185.13280	7.3
187.11325	2.6
187.14821	26.5
189.12807	5.3
189.16405	13.0
191.10728	3.5
191.14308	4.5
191.17961	99.9
197.13269	2.6
199.14842	9.1
201.16397	81.7
203.14511	2.4
203.17955	22.9
205.12268	5.5
205.15874	8.8
205.19527	10.2
211.14870	2.7
213.16405	5.1
215.17929	4.9
217.15834	3.7
217.19568	14.0
219.13985	3.7
219.17429	21.6
225.16396	3.2
227.12808	3.0
229.15916	7.2
231.17532	2.4
233.15407	14.4
233.19014	2.7
247.16974	43.7
251.16405	3.3
265.18033	5.9
397.78934	2.1
409.34604	5.9
419.33176	2.8
437.34528	12.8
446.62408	2.2
455.25845	2.6
455.28986	3.6
455.35352	61.4
456.35620	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	455.352
Annotation	Embelinone
Peak:m/z	Relative Intensity
53.03924	1.0
54.06719	0.8
54.22717	0.8
55.05513	7.6
57.07066	3.1
62.15091	0.8
67.05512	7.8
69.03442	11.5
69.07066	6.3
69.53507	6.4
71.04979	1.2
71.08600	1.5
79.05487	5.5
81.07063	11.9
83.08610	3.0
85.06556	1.4
85.10204	1.2
89.06026	2.0
91.05470	3.9
93.07059	13.5
95.08614	15.4
97.06515	4.2
97.10175	2.9
102.35776	0.8
105.07040	10.5
107.08600	19.1
109.06493	1.2
109.10159	12.8
111.08115	2.2
117.06996	1.7
119.08594	11.1
121.06512	5.1
121.10152	14.8
123.08064	2.6
123.11750	4.2
125.09650	8.3
127.11100	0.8
129.06998	1.1
131.08546	4.6
133.08611	1.6
133.10143	8.1
135.08028	3.4
135.11679	10.3
137.13307	1.6
139.11203	1.5
143.08556	2.2
143.10649	1.3
145.10106	6.4
147.08078	1.1
147.11697	6.0
149.09653	4.0
149.13266	4.9
153.09134	1.1
157.10161	2.5
159.11693	6.9
161.09648	0.9
161.13266	6.9
163.11133	2.1
163.14821	0.9
171.11681	3.0
173.13280	5.5
175.11218	2.0
175.14812	2.6
177.11354	1.0
177.12781	1.5
177.16324	1.3
185.13313	2.0
187.14873	3.4
189.12781	1.3
189.16434	2.4
199.14877	2.4
201.12810	1.1
201.16440	3.1
203.14383	1.5
203.18100	1.2
205.15974	1.7
211.14815	1.4
213.16359	2.0
215.17946	2.3
217.15834	1.8
227.17937	1.9
231.17419	1.1
243.17371	2.1
249.18697	0.9
301.21548	1.2
315.23062	4.9
329.24728	1.7
419.33072	1.7
437.34244	6.1
455.35226	100.0
456.35532	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	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01861	1.9
55.05514	14.5
57.03432	2.1
57.07075	4.9
57.96751	0.9
59.04998	1.0
61.02921	1.7
65.03919	2.3
67.05508	30.9
69.03435	6.4
69.07069	25.9
70.06590	2.8
71.04988	2.4
71.08633	1.3
71.55730	0.9
72.08162	1.8
73.02917	1.1
79.05064	1.5
79.05497	22.1
81.03414	3.8
81.07063	65.8
83.04966	3.5
83.08624	10.6
84.04501	4.3
85.02912	6.8
85.06533	3.3
87.04475	1.4
90.22237	0.9
91.05479	20.3
93.07048	50.9
94.07393	0.8
95.04976	6.1
95.08611	95.9
96.08929	1.1
97.02882	6.7
97.06538	4.5
97.10168	6.1
99.04488	1.7
99.08112	1.6
103.05491	1.9
105.07037	36.8
107.04964	2.4
107.08601	75.5
109.02833	1.0
109.06508	4.9
109.10163	58.8
110.10513	1.5
111.04456	2.2
111.08073	4.9
111.11716	2.9
114.05536	1.6
115.03944	1.1
115.05492	0.9
117.07019	7.6
119.04971	1.3
119.08586	50.3
121.06532	3.4
121.10147	60.2
123.04449	1.1
123.08086	5.4
123.11714	38.6
125.06017	1.6
125.09609	6.2
127.03920	2.8
127.07495	1.0
127.11140	1.6
129.07008	1.7
130.05011	6.6
130.07819	1.5
130.49522	0.9
131.04977	0.8
131.08574	18.8
133.04982	1.1
133.06534	1.9
133.10147	29.8
135.08076	7.1
135.11700	40.4
137.06013	1.7
137.09621	11.9
137.13277	12.4
139.07574	1.3
139.11186	2.6
142.07776	1.3
143.08546	6.5
144.09317	2.5
145.04985	1.4
145.10129	58.8
146.10580	1.0
147.04433	1.2
147.08044	2.8
147.11697	26.0
149.06013	2.1
149.09639	6.6
149.13268	22.4
151.07635	1.7
151.11168	1.7
151.14868	1.7
153.09081	1.7
153.12733	1.0
155.08644	1.1
156.09322	1.4
157.10120	9.1
158.10954	2.4
159.08054	2.6
159.11700	48.5
160.12309	1.4
161.09639	2.0
161.13260	28.0
162.13571	1.2
163.07620	1.1
163.11212	6.3
163.14821	15.4
165.09108	7.5
167.07085	1.7
168.06573	0.8
169.10150	2.4
171.11696	7.5
172.12491	2.0
173.09663	2.4
173.11774	1.6
173.13277	29.0
173.36237	1.1
175.07622	1.9
175.11179	4.2
175.14841	14.4
177.05577	0.9
177.09126	2.2
177.12813	2.2
177.16388	10.6
179.10686	1.3
183.11696	2.0
185.13278	6.5
186.14124	1.0
187.11247	2.0
187.14828	27.3
187.16423	1.8
189.09203	1.6
189.12759	4.7
189.16359	10.6
191.10696	4.7
191.14345	3.6
191.17960	100.0
192.18404	1.2
193.12224	1.8
195.06490	1.7
195.10129	2.1
197.13312	2.2
199.11214	1.0
199.14857	4.2
201.16399	78.6
202.16743	1.4
203.10666	1.6
203.14365	2.4
203.17967	19.3
205.12280	3.3
205.15819	6.5
205.19565	8.8
207.13849	2.4
209.11784	3.1
210.14993	1.1
211.14960	2.6
213.16460	3.9
213.60945	0.9
215.14337	1.9
215.17990	1.6
217.12314	1.1
217.15906	2.4
217.19501	19.0
219.13922	2.4
219.17447	24.2
219.21016	2.0
220.13318	2.3
223.14885	0.9
225.16440	1.8
227.17989	1.3
229.12227	1.1
229.15878	5.8
229.19554	2.1
231.13879	2.0
231.17375	1.1
231.21158	2.3
233.15381	14.1
237.14903	1.2
238.14391	3.3
239.18039	1.8
245.15511	2.1
245.22678	1.9
247.16969	37.3
248.17361	1.2
251.16483	3.2
259.17093	2.5
263.16431	1.3
265.17975	9.1
266.13943	3.1
275.16418	1.3
275.19934	1.3
277.18250	1.3
287.20114	1.6
297.92719	1.0
301.17621	16.0
301.21100	1.7
305.21228	1.2
391.33691	2.3
409.34619	5.3
419.27985	1.0
437.29785	1.0
437.34436	9.9
455.27896	2.0
455.35287	53.1
456.35696	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.352
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
55.05312	0.9
55.05605	3.1
57.07158	1.1
59.05080	0.5
64.42857	0.4
65.53606	0.5
67.05611	3.7
69.03191	0.5
69.03510	1.1
69.06771	1.2
69.07176	6.5
70.81670	1.0
70.82003	1.1
77.90571	0.5
79.05621	2.7
81.07181	8.3
83.04687	0.5
83.05126	1.6
83.08745	1.7
91.05616	2.6
93.07178	4.8
95.05109	1.9
95.08749	16.9
96.18351	0.5
97.06686	2.6
97.10276	1.2
101.06142	1.0
105.07178	5.1
107.08757	6.7
109.05987	0.6
109.06685	1.9
109.10318	7.8
111.08176	0.8
111.11848	1.4
117.07143	1.0
119.08746	6.8
121.06676	1.8
121.10313	8.0
123.08255	2.4
123.11733	2.8
124.72223	0.5
125.09810	1.0
129.07008	0.5
131.08592	3.4
133.10135	5.2
135.08052	12.1
135.11876	4.0
137.09770	0.7
137.13271	3.3
142.07907	0.6
143.08678	1.2
144.09445	0.7
144.98622	0.5
145.10124	4.7
147.08279	1.5
147.11690	3.2
149.09830	2.0
149.13422	1.6
156.09483	1.0
157.10124	3.1
159.11710	4.0
161.09824	1.9
161.13271	2.5
163.11348	2.0
163.14932	0.9
169.10283	1.0
171.11723	3.6
173.09764	1.1
173.13287	2.4
175.11377	2.2
175.14993	1.4
177.16547	0.8
181.10187	0.6
183.11871	1.5
185.13451	2.1
187.11359	1.2
187.14824	3.3
189.09264	0.8
189.12766	2.7
189.16476	1.2
191.14520	1.4
191.18198	1.9
195.11905	0.7
197.13440	1.4
199.11336	1.1
199.15051	1.5
201.12813	0.6
201.16484	0.9
203.14444	1.1
203.18193	1.7
205.16029	1.9
205.19666	0.9
207.17542	0.6
211.14882	0.9
213.12938	0.6
213.16544	1.5
215.14478	1.4
215.18164	0.8
217.12233	4.6
217.19681	0.7
219.17645	0.7
223.15060	0.6
225.16600	0.6
229.16066	0.9
229.19565	0.7
231.13916	1.2
231.17499	3.5
233.15413	2.7
235.13498	2.0
239.18138	1.0
241.16058	0.8
241.19812	0.6
257.15631	0.8
257.22821	0.8
259.20724	0.7
269.22720	0.8
271.20654	0.6
273.18878	0.8
273.22342	1.4
281.19196	1.5
285.18698	1.1
287.20197	1.1
299.20013	5.3
309.26013	0.9
313.25430	1.1
327.23361	1.0
327.27005	2.3
350.25934	0.6
355.26346	0.6
367.30435	0.6
391.33771	0.7
394.28854	0.9
395.29282	0.8
401.31912	1.1
409.34631	2.6
419.33066	9.8
437.34167	100.0
438.34369	3.2
455.35193	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	455.3521
Annotation	Krukovine A
Peak:m/z	Relative Intensity
53.03938	4.7
55.05515	34.4
57.03426	5.0
57.07077	21.1
59.04987	3.4
61.22476	2.4
65.53362	2.6
67.05186	2.4
67.05511	42.5
69.06735	2.5
69.07073	41.8
71.04987	4.8
71.08633	14.6
79.05493	22.2
81.07063	64.2
83.04948	3.1
83.08630	27.8
83.47841	2.5
85.06557	3.6
85.10180	6.0
91.05478	17.3
93.07051	47.2
95.08611	88.1
97.06550	11.5
97.10181	20.6
98.20682	4.1
99.04433	7.7
101.06023	5.8
105.07035	33.2
107.08601	70.1
109.06476	6.6
109.10164	70.5
111.08060	4.1
111.11725	5.9
115.07574	5.6
115.13834	2.5
117.07001	8.5
119.08578	47.2
121.09311	4.1
121.10147	58.9
123.08073	7.3
123.11728	19.4
125.09646	6.0
127.07590	3.6
129.06981	3.2
131.08586	21.5
133.10136	41.4
135.08067	4.6
135.11702	33.3
137.09610	4.0
137.13199	7.6
139.11169	2.9
142.07780	3.9
143.00203	2.8
143.08585	15.0
143.10620	3.6
144.09424	2.4
145.10141	29.6
147.08066	3.2
147.11714	22.5
149.09628	3.8
149.13251	13.0
151.11215	3.0
153.09079	3.1
157.10146	20.1
159.10464	2.7
159.11707	32.3
161.09671	4.5
161.13280	15.9
163.11162	5.5
163.14790	10.0
165.09213	2.5
167.10678	3.2
169.10063	5.6
170.10803	3.3
171.11708	21.3
173.13300	21.4
175.11169	3.5
175.14853	11.3
177.12697	3.0
177.16496	11.4
179.10657	7.2
181.12170	8.4
183.11662	7.4
185.09418	2.6
185.13309	13.3
187.11137	3.7
187.14795	15.8
189.12778	3.1
189.16368	11.4
191.14430	2.7
191.17914	8.0
195.11613	2.8
195.13731	2.9
197.13271	9.2
199.14778	9.3
201.12727	2.8
201.16373	14.1
203.17918	8.9
205.11978	2.6
205.15933	3.0
207.13766	4.6
207.17386	3.8
209.13284	3.4
209.15181	2.7
211.14731	5.7
213.16313	10.7
215.17940	10.6
217.19550	4.0
219.13824	3.3
219.17424	5.2
221.19121	3.2
223.14751	4.2
223.16830	4.6
225.16225	3.9
227.14442	4.1
227.17889	10.7
229.15829	3.9
231.13853	2.9
231.17403	13.2
233.15373	3.4
233.19003	5.2
235.16891	5.3
239.18025	4.8
241.19458	5.0
245.15327	4.2
245.18964	6.6
247.16901	8.7
249.18404	7.7
253.19460	6.5
259.20459	4.1
261.18433	3.2
267.20966	4.8
273.22147	3.6
275.19980	6.4
281.22504	2.6
285.22046	2.6
287.19919	8.4
295.24127	4.7
301.21552	6.9
313.25232	3.8
315.23141	3.8
327.26688	5.3
329.24762	3.6
341.24634	3.2
343.26233	3.2
349.25073	3.2
355.30200	2.7
363.32578	6.6
399.34628	8.1
412.29379	2.9
419.32794	6.9
425.33942	5.0
427.35776	2.7
437.34189	75.7
438.33893	3.1
455.35266	100.0
456.35300	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	455.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.6
57.03433	2.0
57.07079	100.0
58.04209	5.3
59.05002	30.6
64.88300	2.1
67.05511	19.9
69.03419	4.3
69.07073	21.2
71.04974	2.5
71.08634	97.8
71.56867	2.9
72.05756	7.2
73.02914	4.3
73.06554	7.1
79.05500	11.5
81.07065	37.1
83.04987	3.8
83.08607	9.2
85.10189	92.5
86.07304	1.8
87.04475	13.8
88.05247	2.9
89.06030	14.0
90.01918	34.4
91.05488	7.2
91.61749	1.7
93.07054	22.5
95.04955	4.7
95.08615	52.4
95.09169	2.0
97.06508	3.3
97.10177	6.0
99.04458	2.4
99.11736	9.1
101.06035	2.4
103.07561	6.1
105.07035	17.3
107.08601	33.7
109.06529	7.5
109.10168	27.8
111.08122	2.1
111.11750	3.7
116.08357	2.5
117.07088	3.2
117.09190	4.5
119.08591	25.7
121.06516	12.9
121.10152	33.9
123.08069	10.2
123.11704	7.7
125.09676	2.8
131.08582	7.6
133.08591	3.1
133.10138	17.1
135.08081	19.1
135.11702	17.6
137.09642	8.5
137.13293	10.7
138.14082	4.9
141.16409	9.5
143.08577	3.8
145.10138	9.2
147.08107	4.7
147.11702	15.5
149.09642	21.7
149.13309	5.8
149.31650	2.0
157.10139	4.7
159.10548	2.2
159.11726	8.6
161.09642	5.8
161.13333	9.4
163.11182	14.0
163.14871	5.7
165.09140	5.9
169.15855	3.9
171.11717	5.9
173.13277	7.1
175.11269	4.0
175.14856	7.4
177.12804	5.7
177.16374	7.0
181.12193	2.5
185.13319	4.0
187.14806	5.7
189.12785	12.2
189.16412	5.3
191.17960	7.7
198.19788	2.6
199.14839	3.8
199.20584	11.8
201.16217	2.6
203.18109	4.7
205.15970	3.1
205.19525	6.6
207.13847	2.2
215.17982	3.8
217.15935	3.1
221.15442	2.1
222.09752	7.1
229.19548	3.0
231.14037	3.2
231.17378	2.2
233.15439	2.4
233.19089	2.9
240.10820	5.2
243.21101	4.2
243.23305	4.2
245.15434	3.0
255.17432	2.1
257.22757	2.9
261.22076	2.2
273.22153	2.1
273.86514	2.1
283.24155	3.4
299.19901	2.1
301.25143	2.1
409.34869	2.0
419.33029	9.9
437.34232	53.0
455.35287	82.8
456.35684	4.3
456.44318	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	455.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42074	0.6
64.73651	0.7
70.89490	0.9
70.89851	1.4
71.97954	0.8
81.80057	0.7
98.20813	0.7
112.89642	1.2
113.16759	0.7
114.70667	0.6
172.37038	0.7
178.82289	0.6
203.72153	0.7
245.42375	0.7
336.55231	0.7
386.71127	0.7
455.11652	100.0
456.11911	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	455.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	24.3
57.03427	15.9
57.07051	5.7
61.02922	10.0
67.01695	5.4
67.05515	62.1
69.03427	36.3
69.07068	19.3
70.06600	7.9
71.04998	34.7
71.55761	6.1
73.02930	39.1
74.82864	5.2
75.04521	6.1
79.05493	22.3
81.07067	52.5
83.04978	22.5
83.08606	8.4
85.02910	100.0
85.89566	5.9
91.05470	18.0
91.32944	5.5
93.07030	27.4
95.01333	9.1
95.04975	9.5
95.08639	33.3
97.02891	68.0
97.06524	13.9
97.10218	7.5
99.00805	7.4
99.04440	7.2
103.05495	8.4
105.07021	24.3
107.05002	5.1
107.08610	32.1
109.10154	58.0
110.10416	4.9
111.04436	13.8
111.08118	8.6
115.03935	31.7
117.06940	8.0
119.08595	33.6
121.10145	18.6
123.08056	7.9
123.11708	10.9
125.09637	8.2
127.71162	6.0
128.06146	6.1
129.05510	11.8
131.04918	21.5
131.08586	10.8
133.04970	11.7
133.10149	19.6
135.07996	6.8
135.11699	18.2
137.09641	9.9
141.01828	40.3
145.10143	15.8
147.11697	14.3
149.09685	10.1
149.13260	12.2
159.02878	8.1
159.11732	15.9
163.11221	9.2
165.09142	9.4
173.13246	7.2
177.16306	5.6
185.13275	6.9
189.16545	8.5
202.03024	6.0
203.17969	12.3
215.17870	5.7
217.07220	7.0
217.19473	6.0
219.05066	6.2
225.07591	9.9
255.04785	7.4
437.34259	7.6
455.26123	11.7
455.35721	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	454.2929
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05500	3.6
57.03452	4.7
57.07082	23.1
57.82918	0.9
59.04995	0.9
60.44975	1.0
62.05796	1.2
62.06096	24.5
67.05511	6.6
69.07073	5.4
69.56752	6.0
71.08636	15.2
74.70612	0.8
79.05491	1.7
81.07065	7.9
83.08625	5.2
85.10184	9.1
89.06034	1.4
91.05462	0.9
93.07035	2.0
95.08609	9.4
97.10160	3.4
98.98478	5.4
105.07014	1.9
107.08558	1.6
109.10184	4.7
109.88670	1.0
117.06958	1.1
119.08553	1.8
121.10118	2.6
123.11695	1.8
124.01549	1.8
133.10106	1.1
142.02649	1.6
155.01077	6.5
164.11385	0.9
181.06427	1.3
194.70313	1.0
196.17487	0.9
198.05290	1.3
213.31982	0.9
216.06361	2.4
220.51451	0.9
239.23701	1.6
282.27908	19.8
313.27377	100.0
314.27621	1.6
387.31766	1.0
393.23999	5.7
436.28000	1.6
454.33685	3.2
455.35019	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	454.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31102	1.3
55.05503	4.0
57.07079	93.4
57.36609	1.3
59.05004	18.2
65.17645	1.1
67.05488	1.8
69.07063	3.1
70.09313	4.2
71.08636	100.0
73.06562	2.2
81.07063	3.3
83.08621	3.1
85.10185	95.2
85.47716	1.2
87.04496	2.5
89.06038	67.9
95.08594	2.0
99.11716	11.7
103.07594	6.6
105.07028	2.6
107.07053	1.5
107.08588	2.0
109.10175	1.4
130.49805	1.2
131.07005	2.5
133.08609	73.2
137.65010	1.6
141.16389	11.1
145.10057	1.8
146.04147	1.3
147.11577	1.5
153.05461	2.2
177.11241	15.2
190.57120	1.2
199.20618	14.0
199.56917	1.2
221.13879	6.1
239.14915	34.1
243.23138	4.6
268.37860	1.2
279.18027	2.8
283.17514	3.7
297.18921	4.5
437.34689	11.0
454.33792	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	454.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	21.9
55.07121	5.2
57.03418	7.0
57.07072	19.1
59.13221	5.2
67.05502	14.7
69.07057	31.3
70.16978	12.7
70.17344	11.1
71.08619	15.5
72.39052	5.2
81.03416	11.8
81.07059	26.1
83.08602	20.5
85.10185	15.5
89.06026	7.4
89.49055	5.6
91.05456	5.2
93.07053	17.9
95.08601	25.3
97.10185	12.1
101.66415	5.2
102.45300	5.7
105.07014	17.3
107.08570	17.2
109.02866	23.5
109.10164	17.2
109.64594	6.4
111.11744	9.9
115.03954	10.9
119.08580	12.0
121.06400	5.9
121.10146	12.1
127.03914	92.9
131.08505	6.6
133.10143	17.4
135.11620	6.5
141.05498	5.9
145.10118	8.0
147.11691	8.3
149.13167	5.7
151.14677	5.1
159.11639	8.8
173.13228	6.5
183.10150	13.1
197.11723	6.5
237.14822	39.9
239.16507	7.7
239.95384	6.6
253.17986	7.6
265.18161	5.4
295.22556	6.1
381.56699	5.8
391.32077	100.0
409.33121	64.1
454.33807	21.2
455.34872	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23544	2.8
53.03948	5.2
55.01869	15.3
55.05514	6.3
55.53360	2.5
56.05043	4.7
57.03434	5.6
57.07071	8.3
58.06598	7.9
58.65068	2.5
59.05015	4.5
67.05497	7.6
68.72002	3.1
69.03442	15.7
69.07074	11.9
70.02975	4.5
70.06598	25.0
71.05002	3.0
71.54668	3.5
72.04522	26.9
72.08157	15.1
73.02925	14.0
73.06540	3.0
74.02467	2.9
79.05495	5.1
81.03415	21.1
81.07066	3.1
82.06598	2.7
83.04978	11.1
84.04481	6.2
84.08142	14.6
85.02913	23.7
85.06557	8.6
86.09708	13.6
88.07649	3.4
89.09698	2.3
90.05560	45.1
91.05489	6.4
93.07037	2.9
95.04972	11.6
95.08614	3.1
96.08137	5.2
97.02895	19.4
97.06522	3.1
98.02421	19.3
98.09700	5.0
99.04444	7.5
100.03983	5.5
101.02380	3.5
101.06007	6.4
102.45103	2.8
103.03970	3.6
105.84595	2.7
107.08633	3.8
109.02882	27.8
110.07166	3.7
111.04413	4.1
112.07645	3.5
113.05978	6.5
115.03936	2.8
116.03474	19.5
116.07101	4.0
116.10743	59.1
119.04951	4.7
119.08526	2.3
120.08081	4.7
123.08099	3.3
124.07619	27.8
125.09595	12.9
127.03933	30.3
128.07069	2.9
132.06566	8.0
133.04979	3.0
136.06218	3.9
136.07628	5.8
138.05507	4.5
138.09711	2.7
142.08640	17.3
145.04956	8.5
146.08167	4.1
147.04414	10.9
160.09703	6.9
164.07054	4.0
164.31015	2.7
166.08778	3.6
174.11240	5.4
177.05449	7.0
181.04979	3.1
182.08195	2.6
184.09709	35.6
188.08156	2.6
193.08577	2.8
199.06015	7.2
202.10756	100.0
211.09671	8.3
216.08682	3.7
217.07117	5.4
220.11827	28.5
230.10237	9.8
234.09796	10.1
243.37852	2.8
262.12891	18.0
271.11758	8.2
279.79202	2.9
292.11557	6.0
310.12851	8.9
313.11865	16.2
323.12894	3.8
324.13120	3.9
328.13889	55.0
346.15021	18.9
364.15903	21.9
454.20776	72.1
455.16284	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	454.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23544	2.8
53.03948	5.2
55.01869	15.3
55.05514	6.3
55.53360	2.5
56.05043	4.7
57.03434	5.6
57.07071	8.3
58.06598	7.9
58.65068	2.5
59.05015	4.5
67.05497	7.6
68.72002	3.1
69.03442	15.7
69.07074	11.9
70.02975	4.5
70.06598	25.0
71.05002	3.0
71.54668	3.5
72.04522	26.9
72.08157	15.1
73.02925	14.0
73.06540	3.0
74.02467	2.9
79.05495	5.1
81.03415	21.1
81.07066	3.1
82.06598	2.7
83.04978	11.1
84.04481	6.2
84.08142	14.6
85.02913	23.7
85.06557	8.6
86.09708	13.6
88.07649	3.4
89.09698	2.3
90.05560	45.1
91.05489	6.4
93.07037	2.9
95.04972	11.6
95.08614	3.1
96.08137	5.2
97.02895	19.4
97.06522	3.1
98.02421	19.3
98.09700	5.0
99.04444	7.5
100.03983	5.5
101.02380	3.5
101.06007	6.4
102.45103	2.8
103.03970	3.6
105.84595	2.7
107.08633	3.8
109.02882	27.8
110.07166	3.7
111.04413	4.1
112.07645	3.5
113.05978	6.5
115.03936	2.8
116.03474	19.5
116.07101	4.0
116.10743	59.1
119.04951	4.7
119.08526	2.3
120.08081	4.7
123.08099	3.3
124.07619	27.8
125.09595	12.9
127.03933	30.3
128.07069	2.9
132.06566	8.0
133.04979	3.0
136.06218	3.9
136.07628	5.8
138.05507	4.5
138.09711	2.7
142.08640	17.3
145.04956	8.5
146.08167	4.1
147.04414	10.9
160.09703	6.9
164.07054	4.0
164.31015	2.7
166.08778	3.6
174.11240	5.4
177.05449	7.0
181.04979	3.1
182.08195	2.6
184.09709	35.6
188.08156	2.6
193.08577	2.8
199.06015	7.2
202.10756	100.0
211.09671	8.3
216.08682	3.7
217.07117	5.4
220.11827	28.5
230.10237	9.8
234.09796	10.1
243.37852	2.8
262.12891	18.0
271.11758	8.2
279.79202	2.9
292.11557	6.0
310.12851	8.9
313.11865	16.2
323.12894	3.8
324.13120	3.9
328.13889	55.0
346.15021	18.9
364.15903	21.9
454.20776	72.1
455.16284	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	454.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18047	0.1
54.76672	0.1
55.05521	0.1
67.04247	0.9
69.03420	0.7
70.06594	0.8
70.47750	0.3
70.48103	0.3
72.08152	0.4
80.05006	0.2
82.06583	18.4
83.06918	0.2
83.07352	0.5
84.04474	0.2
84.08147	0.3
85.02895	0.2
95.04968	0.2
97.02879	0.2
100.07623	4.7
115.87099	0.1
122.24934	0.1
127.03938	0.2
128.07085	100.0
129.07384	1.0
130.03253	0.2
132.04446	0.1
143.10880	0.1
143.61966	0.1
147.04468	0.2
160.07616	0.2
163.03838	0.2
178.05013	0.6
188.07104	0.3
206.04462	0.8
232.09717	0.2
239.05478	0.1
274.10568	0.2
292.12402	0.1
292.15442	2.9
317.20847	0.1
417.27786	0.1
454.12134	0.1
454.13599	0.1
454.20886	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	453.3578
Annotation	5beta-cholestan-3alpha,7alpha,12alpha,24(S),27-pentol
Peak:m/z	Relative Intensity
55.01866	3.0
55.05518	34.2
57.07083	16.6
65.03949	2.7
67.05509	33.8
69.07074	65.7
69.58326	8.8
69.58752	8.3
71.04973	3.0
71.08635	12.0
79.05489	15.2
80.37876	2.5
81.07066	68.8
83.04999	8.8
83.08626	41.1
85.06551	4.0
85.10189	6.6
86.64896	2.5
91.05476	12.1
93.07059	23.6
95.04974	8.7
95.08048	5.3
95.08614	63.8
97.06562	12.7
97.10166	30.6
98.20794	3.0
99.04439	4.2
105.07037	15.7
107.08612	25.7
109.06535	8.3
109.10168	47.0
111.04459	17.2
111.08092	7.7
111.11729	14.2
113.06016	30.0
117.06965	4.1
119.08576	19.4
121.10170	19.3
123.08092	6.1
123.11726	23.4
125.05993	17.0
125.13265	6.4
127.03916	3.0
131.08582	5.7
133.10150	14.0
135.08058	3.3
135.11707	17.5
137.06001	14.6
137.13266	10.0
139.03900	13.5
139.14890	3.1
141.05486	100.0
145.10123	7.1
145.88191	2.7
147.11703	17.2
149.09615	3.5
149.13252	13.2
151.14827	5.3
152.66850	2.7
153.05489	33.0
153.12819	3.3
155.07069	5.1
157.10178	4.4
159.11717	5.9
161.09648	4.1
161.13293	12.7
163.07669	3.3
163.11226	5.5
163.14848	9.9
165.09122	2.7
165.12752	4.8
167.14354	4.1
171.11754	4.8
173.13278	6.2
175.11203	6.5
175.14882	7.6
177.09216	4.5
177.12572	2.9
177.16400	3.0
181.08678	3.3
185.13321	3.2
187.11197	3.2
189.12831	3.5
189.16374	4.3
191.10710	11.4
191.17859	5.8
193.12106	3.1
195.10146	13.1
200.79137	2.5
201.16362	2.6
203.10597	3.4
203.17917	3.1
205.12198	6.4
205.19641	2.9
209.11763	6.7
215.80832	2.7
217.19543	4.6
231.13910	2.6
255.17531	2.5
263.27316	8.1
265.18188	4.3
273.18616	3.1
287.27414	8.4
305.13538	2.7
305.28647	4.3
321.24460	2.8
371.33029	3.2
399.32468	4.8
417.33694	65.9
432.28336	3.0
435.34784	51.0
453.33484	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	454.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01874	0.8
55.05515	0.7
57.03445	1.0
61.02927	0.7
67.05503	0.6
68.99795	0.4
69.03429	5.2
69.07074	0.5
70.06599	3.0
71.04998	0.8
72.08163	1.2
73.02911	1.1
80.89567	0.3
81.03417	5.3
82.06595	1.0
84.04518	0.9
84.08150	2.0
85.02903	6.5
85.06559	0.4
86.09709	0.9
87.00838	2.3
87.04437	0.5
88.04000	0.4
91.03939	0.5
91.05449	0.4
97.02897	2.8
97.06519	0.6
99.04433	1.8
100.11263	2.4
105.01873	1.1
109.02885	4.8
110.06044	0.7
110.07119	0.4
111.04449	0.4
114.09151	0.7
116.07069	0.8
124.07602	0.4
127.03913	5.9
128.07108	0.4
129.01813	0.5
132.04459	7.4
136.07492	0.5
138.05472	0.5
142.08635	0.6
145.04968	1.7
147.04425	1.7
159.02917	2.3
160.03946	0.5
160.09702	2.3
164.07083	0.4
173.04533	0.6
176.62518	0.4
178.05000	58.6
179.05417	0.5
180.06506	0.8
187.99467	0.4
202.61163	0.3
206.04491	100.0
207.04793	1.3
210.54576	0.4
213.12332	0.5
227.17520	2.4
228.17850	0.5
231.04977	1.1
292.11624	0.7
313.11679	0.6
324.10294	0.4
351.13083	0.4
368.10037	0.5
402.70117	0.4
454.09576	2.3
454.18311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24197	1.8
55.05522	4.6
57.07077	100.0
59.05003	22.6
69.07062	5.7
70.77183	1.7
71.08633	83.8
73.02921	43.6
74.70922	1.8
81.07033	3.9
82.48246	2.4
83.08636	3.1
85.10188	76.2
87.08173	2.4
89.06047	16.4
95.08612	3.4
99.11725	12.1
103.07561	5.8
109.10177	2.1
113.13271	2.3
133.08618	7.0
141.16397	2.3
155.17923	9.4
177.11293	4.3
177.79134	1.9
185.18988	2.6
195.12262	11.1
205.10680	5.5
213.22246	9.0
214.82841	1.9
223.11925	2.3
239.14856	3.5
243.23251	4.0
257.24771	2.8
268.86008	2.0
400.92984	1.9
479.38351	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	453.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30239	2.3
53.03945	4.7
55.05515	17.9
57.03429	3.2
57.07083	3.3
58.93206	2.5
65.03916	3.7
67.05507	32.8
69.07070	19.5
70.11098	10.1
71.05004	2.9
71.08633	4.9
77.83295	2.6
79.05505	20.6
81.03453	2.4
81.07062	62.5
83.04995	16.1
83.08610	9.8
91.05485	33.1
93.07044	43.0
95.04965	10.2
95.08610	75.8
97.06531	7.4
97.10172	5.5
99.08045	2.6
103.05477	4.0
105.07037	80.2
107.08598	75.8
109.06510	7.7
109.10158	48.8
111.08077	5.3
117.07011	11.4
119.08588	100.0
121.10147	53.0
123.08070	5.5
123.11710	22.7
125.09620	10.7
129.07011	4.6
131.08577	37.4
133.10132	66.6
135.08026	5.4
135.11690	26.6
137.09613	6.3
137.13203	3.0
139.07538	2.4
142.07700	3.6
143.08557	16.3
144.09337	4.2
145.10123	68.5
147.11696	35.3
149.09624	6.2
149.13264	17.5
151.11185	6.1
157.10124	13.9
158.10846	3.5
159.11710	50.8
161.13261	31.9
163.11163	3.7
163.14833	16.9
165.09056	4.2
169.10173	3.2
170.10875	2.9
171.11665	13.1
172.12340	2.7
173.13289	32.3
175.14836	32.1
177.12799	3.1
177.16370	18.5
183.11668	5.2
185.13235	6.6
187.14835	57.9
189.16383	67.1
191.14302	15.6
191.17976	15.2
199.14861	17.8
201.16382	65.2
203.14401	3.9
203.17976	30.9
205.15891	30.7
205.19278	2.9
207.17415	5.2
210.18483	3.9
211.14932	3.1
213.16376	28.5
215.17986	36.2
217.15933	13.8
217.19528	9.0
219.17441	40.8
221.15396	2.7
225.16243	3.1
227.17986	5.5
229.15912	3.9
231.17377	5.6
233.19070	4.8
235.16829	13.5
241.19588	9.5
243.17763	3.0
243.20995	8.3
247.16913	11.4
249.18456	3.0
255.21057	7.3
257.22705	3.2
261.18460	11.3
267.21140	11.3
281.22647	3.5
389.31784	12.4
398.49484	2.6
407.27817	2.9
407.33127	54.9
409.34497	6.9
411.46487	2.8
423.32486	3.0
435.32599	16.5
453.33624	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	452.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68644	0.9
53.03933	1.0
55.01850	1.2
57.03430	3.2
69.03439	14.0
70.06599	5.4
71.54594	0.9
72.08159	2.4
73.02915	1.5
81.03430	1.8
82.06564	1.2
84.08132	2.1
84.91225	1.0
85.02907	11.4
87.04468	7.3
95.04971	1.1
95.06086	1.5
97.02895	11.5
98.06055	1.0
109.02873	2.1
111.05550	2.5
115.03931	13.3
116.07106	3.7
123.04441	100.0
124.04710	1.4
124.05877	1.7
127.03924	7.9
128.04240	2.5
128.10745	1.1
130.08641	1.1
133.04970	12.5
141.05576	1.3
141.06583	4.4
142.06984	1.3
145.04936	1.8
146.51236	0.9
147.04492	1.1
174.11267	1.2
201.02173	3.1
240.14322	1.3
242.15520	0.9
244.02724	1.6
262.03900	2.1
271.16571	3.2
272.16852	5.8
290.10471	1.2
290.17972	1.3
434.22229	2.4
452.08932	3.5
452.23508	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	451.3783
Annotation	6-Deoxocastasterone
Peak:m/z	Relative Intensity
53.03938	3.2
54.95355	2.2
55.05302	2.3
55.05513	24.5
57.06826	3.3
57.07076	40.3
66.52636	2.6
67.05505	12.3
69.03448	3.2
69.06721	3.6
69.07071	53.4
70.68309	2.8
71.08634	33.4
71.56528	3.4
79.05489	7.0
81.07060	19.3
83.01303	2.1
83.08621	35.6
85.06520	2.2
85.10178	13.1
91.05518	11.3
93.07041	11.4
95.04979	13.9
95.08616	17.0
97.06526	7.1
97.10175	24.8
105.07027	3.7
105.33478	1.9
107.04971	3.0
107.08569	5.9
109.06522	9.3
109.10139	6.6
111.11736	21.0
113.06004	5.5
119.04954	12.3
119.08588	4.2
121.06507	45.7
121.10211	3.0
123.04439	25.6
123.08100	14.0
123.11674	3.4
125.13319	4.2
129.06662	3.1
131.08517	2.6
133.10068	2.6
135.08057	4.4
135.11751	2.9
137.05978	41.9
139.07521	6.8
145.10056	2.9
147.11726	3.3
151.07555	4.0
155.05775	5.0
155.07040	100.0
159.11661	3.5
161.13292	2.2
165.12808	2.5
167.07039	40.6
185.08170	2.9
191.14345	3.3
193.12244	3.0
245.94333	2.1
254.25801	2.2
387.36218	5.7
389.34186	2.8
415.35687	11.1
433.36844	21.5
451.37827	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.5
55.01871	6.0
55.05513	29.0
57.03444	8.5
57.07077	23.2
67.05508	51.8
68.99802	4.2
69.03426	8.0
69.07076	20.8
70.06578	9.8
71.04998	8.4
71.55730	4.8
72.08163	7.1
79.05501	36.6
81.03416	16.1
81.07062	84.0
82.98985	6.3
83.04985	51.8
83.08629	13.3
84.08123	4.1
85.02911	15.9
85.06554	4.6
91.05476	48.2
93.07053	53.5
95.04970	15.2
95.08611	70.5
95.09176	7.3
97.02905	8.0
97.06544	14.0
97.10176	6.1
98.98533	4.3
105.07032	85.7
107.04956	9.0
107.08607	67.6
109.02921	10.5
109.06513	24.3
109.10162	43.4
111.08073	11.1
117.01047	20.6
117.07018	15.6
119.08586	100.0
121.10146	55.5
123.08089	6.9
123.11710	16.4
125.05974	8.1
125.09640	12.1
127.03924	9.8
127.07526	4.2
129.07018	13.3
131.08577	47.0
133.10138	80.6
135.02107	5.6
135.08072	6.6
135.11693	26.3
141.07019	5.2
142.07825	7.2
143.08562	31.2
144.09377	4.8
145.10127	62.3
147.02072	10.4
147.08072	9.6
147.11697	37.6
149.09688	7.6
149.13283	7.3
151.11220	10.0
155.08617	5.2
157.10126	41.1
158.10942	4.6
159.11702	47.4
161.09654	6.8
161.13246	27.7
163.03871	8.2
163.14824	8.8
165.03133	24.1
165.12816	5.5
169.10138	16.5
171.11729	28.3
173.09712	5.1
173.13289	31.3
175.01570	60.5
175.14845	38.6
177.12894	5.3
177.16382	8.9
181.02589	7.1
181.10141	6.4
183.11702	14.5
185.13278	38.6
187.14816	47.2
189.09238	5.8
189.16415	18.3
191.14337	11.6
191.17926	6.2
195.11687	6.2
197.13324	12.0
199.11284	5.3
199.14853	40.0
201.16399	46.0
203.14317	62.8
205.15974	8.0
207.50328	4.0
209.13271	7.6
211.14896	15.7
213.16370	36.0
215.14474	5.9
215.17926	9.9
217.15892	9.5
219.17531	19.8
227.17984	6.2
231.17444	8.3
239.17953	10.0
241.19527	10.2
245.15376	7.5
253.19528	9.5
259.16974	13.8
267.21140	8.8
275.06900	9.1
299.19946	5.6
331.12936	31.7
377.09195	13.1
387.19550	20.1
387.30429	11.3
395.10324	37.9
405.31537	47.2
406.94934	5.1
407.33151	7.9
421.30585	5.1
433.15494	16.3
433.31134	20.8
451.16080	26.7
451.26324	6.5
451.32080	45.0
451.38251	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	451.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45866	5.7
53.03942	14.6
55.01873	23.2
55.02114	4.6
55.05516	31.7
57.03437	11.4
57.07074	19.4
59.05015	5.4
61.02931	10.2
65.03968	6.6
65.60678	4.7
67.05511	43.7
68.99800	11.9
69.03431	75.2
69.07081	36.4
69.75813	13.2
69.76229	15.5
71.05002	27.1
73.02919	10.6
74.13088	5.6
79.05499	39.5
81.03428	41.8
81.07070	68.2
83.05003	31.2
83.08620	14.4
85.02910	76.2
87.00816	41.8
87.04451	8.9
91.05495	50.4
93.07053	64.3
95.04976	21.6
95.08624	63.2
97.02891	36.2
97.06547	18.4
97.10220	5.8
99.04470	18.8
103.03946	12.3
105.01890	14.9
105.07043	82.6
107.04975	10.3
107.08614	59.1
109.02908	27.5
109.06527	13.4
109.10158	59.2
111.04426	8.2
111.08111	5.5
115.03956	13.0
117.01855	7.2
117.07027	20.6
119.04922	8.6
119.08588	89.5
121.06518	18.3
121.10172	49.0
123.08077	10.3
123.11702	23.5
125.05954	6.1
127.03943	32.7
128.06256	12.4
129.01836	12.4
129.07045	22.2
130.07822	8.8
131.08574	54.3
133.06494	11.8
133.10136	66.9
135.08070	11.1
135.11714	26.0
137.06055	13.0
137.09590	11.6
139.07629	6.3
141.06979	8.4
142.07800	8.5
143.08577	31.4
144.09354	12.7
145.06459	6.1
145.10143	64.7
147.08093	13.2
147.11705	54.3
148.76338	6.6
149.09645	7.5
149.13298	13.7
151.11192	8.1
153.05544	8.5
155.08612	15.0
156.09395	9.8
157.10149	40.4
158.10965	14.1
159.02899	16.9
159.08125	9.0
159.11723	92.4
161.09631	16.4
161.13240	27.1
163.11230	8.9
165.03191	13.6
165.09142	10.7
167.08470	5.5
169.10124	19.9
171.08023	12.2
171.11691	35.6
173.09662	14.2
173.13272	40.7
175.01622	20.3
175.11206	21.7
175.14870	18.2
181.10129	8.8
183.11725	22.0
185.09749	6.9
185.13280	20.9
187.07739	5.5
187.11229	17.4
187.14857	38.4
189.09161	19.7
189.12738	6.8
189.16382	63.5
194.11002	6.9
195.11746	17.1
197.13272	15.9
197.16986	5.8
199.11230	8.6
199.14871	15.1
201.03958	8.9
201.12822	14.9
201.16411	41.0
203.14389	6.4
203.18024	16.7
205.12238	6.0
207.11771	9.1
211.14859	6.4
213.16408	21.7
215.10751	7.1
215.17995	35.8
219.17427	10.4
223.14948	9.4
225.12822	14.4
225.16431	10.7
227.14445	8.0
227.17935	15.7
231.05229	5.5
231.17464	15.2
231.37604	6.0
239.14302	6.9
241.15973	8.4
243.13933	12.4
243.17569	12.5
245.19075	18.1
251.14444	7.2
269.18890	7.8
283.20734	6.4
293.19135	11.7
311.20148	32.4
329.20969	25.6
331.13028	11.5
347.15009	9.9
347.21988	8.2
365.15686	5.7
365.23120	11.2
377.09161	9.0
395.10193	23.2
407.24231	7.1
415.21368	10.7
433.22034	19.5
451.22998	100.0
451.28513	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	451.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80114	2.5
53.03944	11.9
54.62886	2.7
55.01880	17.5
55.05512	30.2
57.03425	9.3
57.07067	12.2
61.02935	14.0
65.03914	4.4
67.05175	3.3
67.05506	43.7
68.99793	10.4
69.03432	79.4
69.07069	34.4
70.06586	5.8
71.01341	4.7
71.04993	25.9
71.55687	4.1
72.08152	7.6
73.02921	12.0
74.01604	2.5
75.55347	3.2
79.05492	38.0
81.03421	63.9
81.07060	69.0
81.33321	3.0
83.04979	14.5
83.08614	13.4
85.02904	64.6
85.06551	8.1
87.00835	43.0
87.04509	3.3
91.04962	4.6
91.05489	49.1
93.07049	67.3
95.04964	32.8
95.08609	89.2
97.02902	36.3
97.06539	15.0
97.10178	7.4
97.97591	2.5
99.04458	12.7
99.08091	5.5
103.03945	13.2
103.05465	2.8
105.01864	17.1
105.07035	100.0
107.04940	12.0
107.08596	70.0
108.19884	2.6
109.02879	32.6
109.06535	16.1
109.10157	61.3
111.04465	16.2
111.08103	5.8
111.11758	3.4
113.02419	3.4
115.03931	12.1
115.05460	5.4
117.07032	22.9
119.04917	3.5
119.08588	92.7
121.06463	13.9
121.10143	52.0
123.04418	9.7
123.08085	12.9
123.11725	23.1
125.09608	9.1
127.03912	36.0
127.07574	3.9
127.11211	9.4
128.06227	11.2
129.01845	13.4
129.06999	17.9
130.07835	7.6
131.08571	47.4
133.06508	7.8
133.10129	65.6
135.04449	5.0
135.08072	12.5
135.11700	26.0
136.87032	2.8
137.05998	20.1
137.09610	14.0
137.13255	3.3
139.11192	5.3
141.07024	7.0
142.07774	13.3
143.08577	37.7
144.09325	5.1
145.04968	8.4
145.06432	10.0
145.10130	87.3
146.10664	2.7
147.02895	4.3
147.08090	11.0
147.11687	49.7
149.05966	6.0
149.09639	10.7
149.13277	13.4
151.07567	7.2
151.11128	7.5
153.05460	6.8
155.07269	3.9
155.08481	17.8
155.22952	2.5
156.09355	16.8
157.10136	50.3
158.10892	4.7
159.02899	17.2
159.08083	13.1
159.11699	77.5
161.05974	2.9
161.09622	13.9
161.13255	22.8
163.07564	4.3
163.11185	6.9
163.14867	5.2
165.07043	4.6
165.09087	7.0
167.08513	3.6
168.09412	5.1
169.10104	17.8
170.10997	4.3
171.02882	3.7
171.08057	10.0
171.11717	35.5
172.12228	3.2
173.09668	13.2
173.13261	33.2
174.13971	3.3
175.11205	11.9
175.14809	15.3
177.05273	3.3
177.09200	3.4
177.12749	5.5
177.16402	5.0
179.08630	5.0
179.10574	4.3
181.10153	8.8
182.10832	3.6
183.08192	3.9
183.11691	16.7
185.09682	6.9
185.13319	19.3
187.07640	5.4
187.11217	11.0
187.14835	29.5
189.03949	8.5
189.09073	9.0
189.12787	9.0
189.16374	53.2
191.10696	7.5
191.14372	5.2
192.09259	4.4
193.10118	4.5
194.10921	4.0
195.11719	13.2
197.13283	12.6
199.11139	8.2
199.14828	12.4
201.03915	7.6
201.12793	11.0
201.16362	43.4
203.10774	6.2
203.14362	4.7
203.17966	18.3
205.15947	5.8
207.11679	9.8
208.12502	3.8
209.13312	11.7
211.11372	3.6
211.14839	8.5
213.12820	8.4
213.16388	22.0
215.14380	8.0
215.17972	24.2
217.12186	5.0
217.15894	5.3
219.17496	9.2
221.13377	3.7
223.11247	3.7
223.14888	6.4
225.12729	17.6
225.16426	8.1
227.14282	6.7
227.17908	14.4
229.16071	4.8
231.04930	6.1
231.17479	11.4
233.19016	8.2
239.14297	3.0
239.17900	3.6
241.15866	7.7
241.19569	3.4
243.13773	9.8
243.17389	8.2
245.18921	15.0
255.17505	4.2
257.19064	8.8
259.16986	5.8
261.18347	3.5
265.19617	3.2
269.15228	4.4
269.18912	5.8
275.20267	5.0
283.20636	5.2
285.09860	3.1
287.19943	5.5
293.19003	11.5
301.21567	3.4
311.20047	30.0
329.21124	24.3
347.15054	4.0
347.22171	8.1
365.15906	5.6
365.23254	5.8
397.19785	4.0
407.24182	5.9
415.21069	16.1
433.22061	23.8
433.31061	4.6
451.17365	4.9
451.23163	81.8
451.30066	3.8
451.32379	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	451.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80114	2.5
53.03944	11.9
54.62886	2.7
55.01880	17.5
55.05512	30.2
57.03425	9.3
57.07067	12.2
61.02935	14.0
65.03914	4.4
67.05175	3.3
67.05506	43.7
68.99793	10.4
69.03432	79.4
69.07069	34.4
70.06586	5.8
71.01341	4.7
71.04993	25.9
71.55687	4.1
72.08152	7.6
73.02921	12.0
74.01604	2.5
75.55347	3.2
79.05492	38.0
81.03421	63.9
81.07060	69.0
81.33321	3.0
83.04979	14.5
83.08614	13.4
85.02904	64.6
85.06551	8.1
87.00835	43.0
87.04509	3.3
91.04962	4.6
91.05489	49.1
93.07049	67.3
95.04964	32.8
95.08609	89.2
97.02902	36.3
97.06539	15.0
97.10178	7.4
97.97591	2.5
99.04458	12.7
99.08091	5.5
103.03945	13.2
103.05465	2.8
105.01864	17.1
105.07035	100.0
107.04940	12.0
107.08596	70.0
108.19884	2.6
109.02879	32.6
109.06535	16.1
109.10157	61.3
111.04465	16.2
111.08103	5.8
111.11758	3.4
113.02419	3.4
115.03931	12.1
115.05460	5.4
117.07032	22.9
119.04917	3.5
119.08588	92.7
121.06463	13.9
121.10143	52.0
123.04418	9.7
123.08085	12.9
123.11725	23.1
125.09608	9.1
127.03912	36.0
127.07574	3.9
127.11211	9.4
128.06227	11.2
129.01845	13.4
129.06999	17.9
130.07835	7.6
131.08571	47.4
133.06508	7.8
133.10129	65.6
135.04449	5.0
135.08072	12.5
135.11700	26.0
136.87032	2.8
137.05998	20.1
137.09610	14.0
137.13255	3.3
139.11192	5.3
141.07024	7.0
142.07774	13.3
143.08577	37.7
144.09325	5.1
145.04968	8.4
145.06432	10.0
145.10130	87.3
146.10664	2.7
147.02895	4.3
147.08090	11.0
147.11687	49.7
149.05966	6.0
149.09639	10.7
149.13277	13.4
151.07567	7.2
151.11128	7.5
153.05460	6.8
155.07269	3.9
155.08481	17.8
155.22952	2.5
156.09355	16.8
157.10136	50.3
158.10892	4.7
159.02899	17.2
159.08083	13.1
159.11699	77.5
161.05974	2.9
161.09622	13.9
161.13255	22.8
163.07564	4.3
163.11185	6.9
163.14867	5.2
165.07043	4.6
165.09087	7.0
167.08513	3.6
168.09412	5.1
169.10104	17.8
170.10997	4.3
171.02882	3.7
171.08057	10.0
171.11717	35.5
172.12228	3.2
173.09668	13.2
173.13261	33.2
174.13971	3.3
175.11205	11.9
175.14809	15.3
177.05273	3.3
177.09200	3.4
177.12749	5.5
177.16402	5.0
179.08630	5.0
179.10574	4.3
181.10153	8.8
182.10832	3.6
183.08192	3.9
183.11691	16.7
185.09682	6.9
185.13319	19.3
187.07640	5.4
187.11217	11.0
187.14835	29.5
189.03949	8.5
189.09073	9.0
189.12787	9.0
189.16374	53.2
191.10696	7.5
191.14372	5.2
192.09259	4.4
193.10118	4.5
194.10921	4.0
195.11719	13.2
197.13283	12.6
199.11139	8.2
199.14828	12.4
201.03915	7.6
201.12793	11.0
201.16362	43.4
203.10774	6.2
203.14362	4.7
203.17966	18.3
205.15947	5.8
207.11679	9.8
208.12502	3.8
209.13312	11.7
211.11372	3.6
211.14839	8.5
213.12820	8.4
213.16388	22.0
215.14380	8.0
215.17972	24.2
217.12186	5.0
217.15894	5.3
219.17496	9.2
221.13377	3.7
223.11247	3.7
223.14888	6.4
225.12729	17.6
225.16426	8.1
227.14282	6.7
227.17908	14.4
229.16071	4.8
231.04930	6.1
231.17479	11.4
233.19016	8.2
239.14297	3.0
239.17900	3.6
241.15866	7.7
241.19569	3.4
243.13773	9.8
243.17389	8.2
245.18921	15.0
255.17505	4.2
257.19064	8.8
259.16986	5.8
261.18347	3.5
265.19617	3.2
269.15228	4.4
269.18912	5.8
275.20267	5.0
283.20636	5.2
285.09860	3.1
287.19943	5.5
293.19003	11.5
301.21567	3.4
311.20047	30.0
329.21124	24.3
347.15054	4.0
347.22171	8.1
365.15906	5.6
365.23254	5.8
397.19785	4.0
407.24182	5.9
415.21069	16.1
433.22061	23.8
433.31061	4.6
451.17365	4.9
451.23163	81.8
451.30066	3.8
451.32379	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	451.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05518	0.6
57.03436	0.9
59.44087	0.4
67.05505	1.3
69.03417	1.7
69.07082	0.8
70.06575	1.2
70.59666	0.8
70.60015	0.7
71.04955	0.4
72.08131	0.7
73.02911	0.4
75.04475	0.9
79.05497	1.3
81.03407	1.1
81.07054	1.7
84.04506	0.5
85.02911	3.0
86.09714	0.7
90.99175	0.3
91.05481	2.9
93.07040	2.1
94.06572	1.1
95.04965	0.5
95.08608	1.4
96.08139	1.3
97.02888	1.8
97.06549	0.6
99.04398	0.5
99.68694	0.4
103.05440	0.6
104.04976	0.4
105.07018	1.0
106.06567	2.0
107.08598	1.1
107.36589	0.5
108.08119	0.9
109.02875	0.6
109.06528	0.3
109.10137	0.9
111.08082	0.5
116.04979	0.4
117.05794	0.7
117.06979	0.4
118.06535	3.3
119.08580	1.0
120.08110	13.4
120.08945	0.9
121.10143	0.7
122.09635	0.5
124.07593	8.1
126.09182	0.7
127.03870	0.7
128.06209	0.4
131.08595	0.5
133.10178	0.6
134.06024	6.2
136.07597	2.9
137.05952	0.5
138.05496	1.3
145.05043	0.4
145.10100	0.7
146.05991	3.1
147.06786	2.5
148.07581	13.6
150.09158	0.9
152.07057	1.0
157.10225	0.5
164.07076	60.0
165.07614	0.9
166.08647	2.2
198.12869	0.5
200.10719	0.5
211.14806	0.4
214.10986	1.2
215.15553	2.5
216.10220	1.7
226.12231	0.7
229.13365	1.2
232.09685	0.6
243.14938	7.7
245.08127	0.9
245.16559	3.4
253.13446	1.4
254.11720	1.2
270.80661	0.5
271.14429	23.4
272.14838	0.6
273.07709	0.9
284.24683	0.4
289.15475	100.0
290.15863	2.5
297.07806	0.6
303.04926	1.2
304.05258	0.9
305.05585	3.4
308.14951	0.6
315.08511	0.6
367.01498	0.4
384.11252	0.4
451.20593	1.2
451.31876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01859	0.7
56.05049	0.5
56.96579	0.9
57.03419	0.9
61.02926	0.8
68.19457	0.5
69.03428	2.6
69.46411	1.1
69.46828	2.4
70.06572	1.8
71.04970	0.6
72.08155	2.7
78.82319	0.5
81.03426	0.8
84.04515	1.1
84.08186	1.3
85.02914	6.3
86.09684	0.5
91.03958	0.5
96.21226	0.5
97.02888	2.4
98.97566	0.7
104.05308	0.6
109.02877	1.4
110.11949	0.4
111.05589	0.6
116.98682	0.8
123.04490	0.6
124.11240	1.5
126.05556	1.0
126.12778	1.6
127.03922	100.0
128.04282	1.0
141.06612	1.1
145.04933	1.1
147.04434	0.5
163.03926	0.6
167.07060	0.9
171.16626	0.5
196.41228	0.6
203.12190	0.8
203.83737	0.5
219.01599	0.5
231.62263	0.5
234.98978	0.6
237.02939	0.8
271.16541	0.8
289.09387	2.6
289.12000	0.7
289.17752	0.5
305.13348	0.6
451.17719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81577	0.2
53.03936	0.7
55.01876	0.6
57.03432	0.9
61.02928	0.7
64.24297	0.3
69.03439	1.4
69.57493	1.9
70.06601	0.6
72.08162	0.7
81.03420	0.8
85.02908	7.9
91.03987	0.3
93.04485	0.3
97.02897	2.3
99.04427	0.5
109.02899	1.4
127.03926	100.0
128.04263	1.1
144.30736	0.3
145.04961	2.1
215.06779	0.3
290.76050	0.2
451.17194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01866	3.3
57.03439	7.9
61.02929	13.5
65.03931	1.9
67.05508	4.4
69.03436	18.7
69.07056	2.8
70.06600	13.4
71.01362	1.9
71.04978	3.1
71.54152	2.0
72.08153	9.9
73.02923	65.7
79.05496	5.0
79.76790	1.5
81.03426	11.0
81.07059	5.5
82.06575	2.3
84.04516	2.4
84.08144	7.6
85.02911	100.0
86.09715	3.0
91.03960	2.7
93.05815	1.8
95.04976	4.2
97.02901	41.9
99.04460	5.5
103.03940	5.7
106.06553	3.2
107.08601	1.8
108.08133	8.7
109.02880	14.0
110.06046	1.4
111.04435	1.7
115.03931	6.2
120.08147	3.7
121.02863	5.5
121.06478	1.7
122.06015	8.5
124.07624	1.7
125.05975	3.8
126.05514	5.4
126.09210	2.9
127.03928	33.6
128.07095	2.6
128.72874	1.7
130.12283	5.0
133.04996	3.7
134.06000	1.7
136.07582	15.1
137.02353	2.0
137.06035	3.4
140.07068	70.6
143.08287	1.5
145.04970	40.3
147.04475	3.6
150.07654	3.0
150.09138	5.1
152.07079	21.3
153.05394	1.5
154.08659	4.9
155.11812	8.2
163.03896	3.1
163.06023	21.4
164.07083	18.7
167.07069	1.7
170.08156	4.4
178.08633	17.9
182.08138	97.1
183.08440	1.8
206.08133	49.6
218.08133	3.6
236.09232	6.0
247.11113	1.9
248.09193	11.6
266.10272	4.9
271.10724	2.3
284.11298	12.8
289.11841	4.2
289.21237	2.3
302.12366	31.2
307.12848	2.1
451.16251	7.5
451.21991	5.6
452.15146	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70698	1.5
53.03954	2.1
55.01848	2.5
55.25247	1.8
57.03428	5.7
61.02925	12.6
67.05499	3.2
69.03432	18.3
69.90422	7.2
70.06599	11.5
71.01349	3.0
71.05002	2.6
72.08159	9.3
72.71055	1.5
73.02921	63.7
79.05499	3.6
81.03420	8.0
81.07053	6.5
82.06581	3.3
84.04517	2.6
84.08144	8.4
85.02912	92.8
86.44167	1.7
91.05468	3.1
95.04963	4.9
97.02898	40.6
97.06516	2.4
98.09663	2.1
99.04454	3.2
103.03936	4.8
104.04620	1.7
106.06574	2.2
108.08113	8.6
109.02893	12.4
110.06065	2.0
112.07674	2.0
115.03895	8.6
116.07144	1.9
116.07945	1.7
121.02857	3.6
121.10089	1.7
122.06049	5.6
124.07618	2.4
125.06001	5.3
126.05528	5.7
126.09184	3.0
127.03914	27.3
128.07025	1.6
130.12273	2.2
131.22472	1.8
133.05000	3.0
136.07581	17.0
137.06006	3.6
140.07071	74.2
143.08163	3.0
145.03902	3.5
145.04968	42.2
147.04411	3.2
150.07610	2.1
150.09192	3.3
152.07091	13.5
154.08617	4.8
155.07010	1.7
155.11819	10.4
161.05969	2.3
163.03928	2.0
163.06001	22.3
164.07071	18.8
178.08641	18.8
178.10115	2.2
182.08144	100.0
206.08139	55.0
206.10107	3.0
211.76309	1.6
218.08200	5.3
236.09045	3.4
240.88405	1.8
248.09204	13.1
264.42133	1.6
266.10144	5.1
284.11267	12.6
289.11771	6.2
289.14893	1.9
302.12457	30.2
307.12665	1.9
319.20288	2.0
329.11279	1.8
347.79559	1.7
378.03885	1.7
430.17902	1.8
430.23776	1.8
451.16620	9.4
451.22095	4.6
452.15381	2.2
459.99426	1.7
460.60422	1.9
461.69400	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	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.2
54.08966	6.1
55.01863	8.3
55.05487	11.0
57.03439	5.7
57.61203	5.3
58.06582	8.8
61.02925	8.8
64.90723	4.8
67.05486	15.0
69.03436	26.1
69.07059	17.0
70.06593	32.2
70.38036	4.7
71.04990	12.2
71.55109	4.4
71.55502	5.6
72.08144	26.7
79.05479	21.9
81.03410	32.7
81.07047	35.8
84.04490	7.3
84.08131	9.8
85.02908	61.7
86.03214	5.3
86.09711	25.9
87.00815	18.3
87.04453	8.1
91.05478	19.6
93.07046	63.0
95.04961	17.4
95.08595	23.3
97.02888	43.8
99.04452	10.3
100.02991	4.8
103.05431	6.0
105.01849	9.3
105.07003	16.5
107.04936	5.7
107.08595	24.7
109.02907	44.3
109.06489	15.3
109.10140	10.0
119.04891	8.5
119.08566	11.8
120.08081	22.7
120.08866	7.0
121.06474	7.9
121.08424	7.7
121.09307	9.0
121.10144	100.0
123.08010	6.8
123.11689	17.7
124.07601	11.1
125.05960	7.2
127.03908	40.2
129.10217	7.1
129.91823	5.8
131.08534	6.5
133.10112	9.6
135.11671	6.7
136.06195	5.8
136.07542	15.1
137.06000	8.9
139.11186	13.8
145.04941	15.9
147.04427	11.3
147.11565	5.6
149.09630	27.1
158.05557	5.1
164.07106	9.3
167.07147	7.4
167.10690	31.9
177.05528	8.5
199.07561	5.6
207.06665	5.3
222.49893	4.4
235.16815	7.3
287.05560	30.0
288.05878	68.3
288.08841	9.2
288.25290	22.8
303.04813	7.8
304.05264	24.9
397.14789	9.1
415.15878	22.8
450.14514	9.2
450.28522	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	450.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01868	1.1
57.03424	0.4
60.08164	0.6
68.99751	0.3
69.03427	2.1
69.33788	1.1
69.34214	1.8
70.06580	1.4
72.08138	1.0
73.02917	0.8
78.04700	1.6
79.05495	0.6
81.03431	2.4
81.07050	0.4
84.04482	0.6
84.08142	1.1
85.02907	5.9
86.09711	0.7
87.00806	2.3
91.05489	0.7
93.03385	0.3
95.04967	0.7
97.02905	2.3
98.06066	0.3
99.04459	1.2
105.01852	1.4
106.04198	0.8
108.04492	1.1
109.02878	2.8
110.06093	0.4
111.04424	0.4
116.07083	0.4
122.03607	0.5
122.05994	0.5
123.04427	4.5
124.05212	1.5
124.07609	2.0
126.05511	0.4
127.03929	4.3
128.07149	0.6
132.04442	0.5
135.04437	0.6
138.98479	0.6
142.41846	0.3
145.04971	1.7
147.04420	0.6
148.06046	0.4
149.06018	0.8
151.03987	0.6
151.98676	0.3
152.04677	1.3
152.07088	3.6
153.05486	1.1
159.02908	1.1
159.52963	0.3
163.03854	0.4
166.05060	0.5
166.08621	0.5
167.07050	100.0
168.07355	1.3
184.99054	0.4
195.06567	1.0
231.05066	0.5
245.42189	0.3
248.07533	0.7
261.12381	0.7
268.20059	0.3
271.02899	0.3
288.05576	0.5
295.37170	0.4
355.96750	0.4
358.11371	0.4
450.14334	0.5
450.19757	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	449.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
61.02934	2.2
66.31743	1.2
67.05504	1.6
68.99767	1.3
69.03420	6.0
70.06576	2.9
71.04994	2.6
71.14314	2.5
72.08160	3.7
73.02901	1.3
77.24139	1.5
77.83617	1.3
78.80106	1.3
81.03431	6.6
84.08121	2.0
85.02903	14.0
86.09698	1.6
97.02901	33.2
98.17102	1.2
99.04456	9.5
103.03931	10.5
109.02921	6.9
109.10161	1.5
125.02364	100.0
127.03925	21.8
137.05948	1.8
143.03409	87.7
145.04987	8.4
163.06038	1.7
166.09518	1.8
176.73415	1.5
187.06091	2.5
271.08118	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	449.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01852	1.6
56.05048	1.7
61.02932	1.7
65.03935	2.1
65.42863	1.3
67.05518	2.9
67.25155	1.2
69.03442	5.5
69.07072	5.8
70.06589	5.8
70.83475	3.8
71.04987	2.0
72.08153	6.1
73.02935	2.0
79.05504	4.5
80.05073	1.9
81.03427	6.1
81.07064	2.8
82.06593	2.5
84.04512	3.7
84.08159	1.7
85.02921	7.6
86.09707	4.2
91.05486	19.7
93.07074	3.0
94.06577	5.7
95.04979	3.1
95.06097	2.6
95.08643	1.3
96.04486	1.4
97.02879	6.1
97.06544	2.2
99.04476	2.2
106.06558	1.7
108.04491	4.1
108.08136	2.9
109.02891	3.4
110.06078	1.4
112.07611	1.5
116.04959	8.7
117.05779	4.5
118.06550	40.6
119.07367	9.3
120.08118	28.3
122.06057	13.0
122.09696	1.8
123.04472	2.1
124.07618	9.3
126.38657	1.3
127.03909	2.8
128.07069	2.1
130.05017	2.4
130.06554	1.6
132.08180	1.4
133.02925	1.8
134.06006	3.4
136.07599	2.9
138.09201	1.3
140.07060	14.8
142.08641	10.1
146.06023	84.6
147.04382	1.4
147.06760	15.8
148.07584	55.9
149.77312	1.4
152.07097	1.8
154.08624	16.5
164.07079	63.0
166.08618	2.4
174.09117	1.5
180.10158	2.7
183.10422	1.6
186.09222	2.1
189.11508	3.1
198.09113	2.6
198.12859	1.7
199.09982	2.2
214.12363	3.2
216.13884	2.3
224.10779	2.6
226.12447	3.2
241.13454	4.6
242.08116	2.3
242.11794	21.0
243.14943	24.5
259.14471	2.7
261.16034	1.5
269.12888	18.1
270.11246	35.4
287.05722	7.3
287.13925	100.0
288.14151	3.1
290.10229	5.6
303.05191	3.7
305.14978	39.1
308.11301	9.4
323.05005	1.5
373.08978	1.3
431.18280	2.3
449.19568	11.0
452.54800	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
53.03944	0.1
55.01852	0.1
55.05532	0.1
61.02927	1.0
67.01863	0.5
67.05491	0.2
68.99799	0.5
69.03432	0.4
70.06586	0.2
71.22382	0.2
72.08150	0.4
73.02905	0.3
79.05483	0.2
81.03400	0.2
84.04520	0.1
84.08164	0.2
85.02913	1.0
89.03902	0.1
89.19219	0.1
91.03957	0.5
91.05494	0.2
94.06585	0.1
97.02881	0.6
107.04957	0.3
109.02885	0.3
111.00835	0.2
113.96954	0.1
115.03905	0.1
117.03372	0.2
121.02879	0.5
122.06022	0.3
124.07552	0.1
126.48945	0.1
127.03935	0.3
133.10147	0.1
135.04427	1.7
136.07564	0.3
137.02310	0.6
137.06032	0.1
143.24908	0.1
147.04434	0.2
153.01842	5.8
154.48154	0.1
157.06421	0.1
161.02335	0.4
164.07037	0.3
165.01851	0.5
171.02942	0.4
171.04356	0.1
179.03421	0.3
183.02901	0.1
185.05956	0.2
203.03252	0.1
204.06607	0.2
208.25217	0.1
213.05493	0.3
217.05005	0.2
219.06477	0.1
229.05164	0.1
231.06581	0.2
241.04939	0.7
259.06107	0.2
263.05600	0.1
269.04517	0.4
271.10791	0.1
287.05508	100.0
288.05844	2.3
294.37878	0.1
299.05420	0.2
303.04800	0.3
443.16324	0.1
449.10654	0.3
449.19846	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	449.1078
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
55.05497	0.6
57.03439	8.9
65.03951	0.4
67.05491	0.7
68.99776	1.1
69.03420	0.8
71.01291	0.4
71.04974	1.6
72.08141	0.5
73.02914	2.8
75.04482	23.8
81.03414	0.7
81.07047	1.3
83.04965	0.5
85.02905	6.9
93.03362	0.4
93.07015	0.6
95.04962	0.4
95.08598	0.6
97.02893	0.4
105.07009	0.5
109.02883	0.8
111.00793	0.9
111.04401	0.5
115.00477	0.4
119.08588	0.7
121.02860	1.5
121.10157	0.5
121.63937	0.3
122.06001	0.4
123.04392	0.4
123.11704	0.4
127.03909	0.4
129.05431	0.9
135.04410	0.5
135.11745	0.4
137.02344	2.9
139.22392	0.4
145.10103	0.6
153.01810	3.7
155.04904	0.5
159.11708	0.4
161.06007	0.4
163.03923	0.7
165.01862	2.5
183.02893	0.5
187.03986	0.6
201.05475	2.1
215.03232	0.4
229.04993	4.7
247.06078	0.5
257.04489	2.3
274.04797	0.8
285.03940	1.2
287.05490	1.2
303.04996	100.0
304.05243	2.5
449.31024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
53.03941	0.5
55.01877	0.4
57.03422	0.6
61.02916	0.9
65.03937	0.4
65.57038	0.2
69.03435	1.7
69.52347	0.2
70.06590	0.3
71.05012	0.3
71.34364	0.4
72.08146	0.7
73.02908	0.3
81.03435	1.4
81.07036	0.2
84.08170	0.3
85.02428	0.3
85.02914	4.3
91.03935	0.2
93.03417	0.6
95.04955	0.4
97.02913	1.9
99.04449	0.4
109.02906	0.6
121.02887	2.9
122.06062	0.3
123.04453	0.5
124.07604	0.3
127.03930	1.0
129.06990	0.3
136.07584	0.9
136.14378	0.2
137.02348	8.1
137.03401	0.4
139.05443	0.2
145.04987	0.8
147.04375	0.3
149.02356	2.9
150.02985	0.3
152.07045	0.4
153.01802	0.4
157.06505	0.7
163.03912	0.3
164.07083	1.2
167.03430	0.3
171.04637	0.2
175.07556	0.2
179.03377	0.2
185.05992	2.7
189.05528	0.3
203.07072	0.5
213.05499	5.3
216.04054	0.3
223.04138	0.3
230.15512	0.2
231.06531	1.3
241.04980	3.1
258.05283	0.7
269.04404	1.4
287.05518	100.0
288.05875	3.2
339.72659	0.2
370.08783	0.2
407.07800	0.2
410.68677	0.2
449.08878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01871	2.0
55.05517	12.2
57.03440	3.1
57.07071	2.8
57.53535	1.1
65.03931	2.6
67.05509	23.6
69.03443	6.3
69.07072	23.0
70.06596	6.6
71.04996	15.2
72.04522	4.3
75.73067	1.2
77.98224	1.3
79.05500	26.7
81.03415	4.9
81.07058	30.5
83.04990	2.6
83.08614	5.6
84.08161	7.4
85.06530	1.5
91.05487	22.3
93.07047	16.1
94.06590	2.1
95.04974	10.4
95.08605	18.7
96.08088	1.9
97.06536	4.8
97.10179	2.8
98.06053	1.4
98.21460	2.7
105.07038	19.4
106.06568	18.3
107.04963	2.8
107.08591	10.6
109.06532	3.4
109.10142	5.9
111.08086	1.9
112.07620	16.9
113.00046	3.5
117.07045	5.8
119.08580	13.2
121.06531	1.3
121.10123	6.6
123.08088	4.0
123.11719	3.4
124.07599	100.0
126.09132	1.4
129.07030	2.1
131.08601	8.1
133.10126	12.2
135.08073	1.7
135.11717	3.8
137.09598	2.5
140.07072	15.8
142.08638	34.4
143.08594	2.6
145.10114	6.6
147.11713	7.9
149.09625	2.4
149.13237	2.0
157.10170	2.4
159.11710	4.8
161.13255	1.7
163.11237	1.9
168.13921	1.8
169.02652	2.9
171.11653	2.1
173.13342	2.4
175.11443	1.5
183.11865	1.3
194.17397	1.2
207.13853	4.5
229.39450	1.4
275.19928	6.1
278.68463	1.7
289.21713	1.9
337.27264	5.0
445.90085	1.2
448.30402	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	448.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91456	0.5
55.05494	0.6
56.05003	2.0
60.05624	1.4
62.95272	0.5
65.84619	0.5
69.03413	1.0
69.07045	0.8
69.95507	2.5
70.06598	2.8
72.08112	1.8
73.02885	0.6
79.05473	1.3
81.03398	1.1
83.06077	1.7
84.04471	0.8
84.08102	1.5
85.02868	2.0
86.09692	0.9
91.05429	1.6
93.07026	0.6
96.08167	0.6
97.02875	1.2
97.07631	0.6
101.06007	0.8
105.03372	2.2
105.05810	1.0
106.06533	1.3
107.04909	1.3
109.02842	1.0
110.05973	0.7
111.05566	7.1
113.07102	1.0
116.95708	0.6
119.04913	1.1
120.04476	15.8
121.06556	0.8
123.05541	1.2
124.03981	0.7
124.05048	1.0
126.06642	10.7
127.03910	1.5
127.07394	1.2
128.07054	1.5
129.10295	0.5
132.04463	22.4
132.08168	0.6
134.05133	0.8
134.06027	9.5
135.05406	0.7
136.07542	1.6
137.04720	2.7
140.07082	1.0
140.08162	1.1
145.03946	0.8
146.02423	1.0
147.04419	4.8
147.08008	1.3
150.05539	1.1
151.06169	10.7
154.08627	3.0
157.07637	0.7
161.07101	0.5
168.06569	1.7
168.08821	3.7
170.05666	0.8
185.07091	1.1
190.06229	0.6
191.75810	0.7
202.09758	13.7
202.43677	0.5
203.34851	0.6
209.00761	0.7
211.02409	1.0
215.08093	0.6
216.11311	4.5
230.09244	10.6
231.12436	1.0
232.10794	5.1
242.09251	3.4
257.10379	5.9
259.11917	82.4
260.12277	2.0
277.12973	2.7
277.18369	0.7
284.11420	4.5
294.09628	0.7
301.14056	9.9
302.12479	34.0
303.12839	1.0
307.56168	0.5
319.15201	1.7
362.18484	1.3
388.16360	0.6
406.17215	15.3
417.54276	0.6
430.18643	1.7
448.19443	100.0
449.19955	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	448.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08028	1.2
55.05499	2.7
57.07074	4.8
60.82355	1.3
61.56241	1.2
65.78967	1.4
67.05503	3.5
69.07056	6.3
70.15385	5.9
71.08626	2.2
83.08630	3.2
91.05485	1.8
93.07062	2.5
94.40701	1.1
95.08607	1.4
95.14446	1.3
97.10165	4.3
98.20763	1.4
109.10157	6.2
111.11707	2.5
112.87993	1.4
119.08589	2.6
121.06508	10.8
135.08046	3.3
136.08862	15.9
137.09631	14.1
139.07509	1.9
149.02307	6.0
149.09569	1.5
150.02657	3.1
151.07567	2.0
164.06926	1.2
164.08347	33.3
165.09125	100.0
166.09521	2.6
181.08588	2.5
187.11214	1.8
205.12312	7.6
285.45007	1.3
340.63803	1.3
418.00232	1.6
430.38080	68.6
438.38977	1.6
448.38681	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	448.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01875	2.9
55.31342	1.3
55.93540	1.3
57.03438	3.2
58.28796	1.4
65.03931	2.9
67.05502	3.3
69.03435	18.2
69.91919	5.5
70.06595	7.5
71.04993	5.1
72.08154	4.8
73.02924	2.1
74.67670	1.6
78.03455	5.9
79.05508	6.4
81.03428	14.7
81.05823	1.6
81.07042	1.9
84.08133	2.8
85.02910	25.8
86.09721	4.3
89.06037	14.0
92.04989	2.5
95.04990	1.5
96.04488	4.6
96.08144	3.8
97.02896	13.8
99.04451	5.2
101.02387	2.2
105.93814	1.4
106.02920	26.6
106.05848	2.1
106.06563	36.4
108.08126	54.7
109.02875	13.1
110.06071	2.3
115.03988	2.7
116.07102	2.5
119.04890	1.5
119.29931	1.5
123.06824	4.1
124.03961	100.0
124.07590	28.4
125.02354	1.4
127.03924	19.2
134.06029	22.4
136.07596	20.3
137.48149	1.6
145.04951	6.4
147.04424	9.8
149.00571	1.3
152.07077	87.8
154.08635	1.9
170.08142	38.2
232.06255	1.9
250.07213	9.0
259.12137	2.2
268.08206	16.2
286.09225	62.3
287.09555	2.1
394.11221	2.1
395.28510	1.4
412.16550	2.2
430.11935	2.3
430.17163	25.4
448.18198	87.9
449.18710	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	448.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78216	3.2
53.03944	7.9
55.01864	7.1
57.03434	5.3
58.23116	3.3
60.04515	3.9
61.02916	8.8
66.66381	3.4
69.03439	31.6
69.07073	16.7
70.03748	3.7
70.06603	20.1
71.08635	5.8
71.55050	5.7
72.08148	14.6
73.02918	7.2
81.03432	26.1
83.04974	12.7
83.51317	3.0
84.04508	4.7
84.08134	8.1
85.02431	5.0
85.02914	76.9
86.02402	4.6
86.09709	12.3
87.00822	24.3
88.03981	5.8
89.03931	4.3
91.05467	8.1
93.07047	4.3
95.04984	3.8
95.08572	3.5
96.08152	10.4
97.02901	47.1
97.06532	8.2
98.09699	3.9
99.04468	19.3
103.03983	4.1
105.01888	30.3
105.07047	6.4
109.02890	27.9
110.06030	12.9
110.09675	4.6
114.09164	7.6
117.03371	4.0
119.04919	3.5
123.04430	45.5
124.07571	7.5
127.03934	52.6
128.07097	5.2
129.01848	6.8
130.05035	7.2
136.07561	13.0
137.02370	7.8
137.05974	7.8
140.07106	5.0
142.08636	50.0
145.02879	8.0
145.04971	22.0
145.10123	4.6
147.04381	17.8
151.03818	3.9
154.13156	3.7
157.06642	4.7
158.11775	10.3
159.02907	10.2
163.03973	4.3
164.07048	8.5
165.05492	7.5
165.09102	9.6
177.05510	15.8
184.09685	30.0
189.05498	6.1
189.09109	15.7
200.12881	5.2
207.10127	7.4
208.09633	6.0
211.07544	4.9
212.09381	4.5
219.10095	16.9
231.04883	8.2
237.09050	4.2
257.08054	4.3
259.67899	3.5
273.11151	16.5
285.07507	6.7
286.07874	15.4
286.12747	8.0
287.05518	100.0
304.13934	11.6
448.17261	5.9
448.25201	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	447.3471
Annotation	9-hydroxycerevisterol
Peak:m/z	Relative Intensity
55.01860	8.1
55.05500	8.1
57.07076	19.5
62.01642	1.8
65.08312	1.9
67.05492	3.9
69.07071	16.7
71.00276	2.7
71.00605	2.4
71.08629	13.9
79.05492	4.5
81.07056	9.4
83.04994	2.8
83.08620	11.6
85.10178	9.1
89.75694	2.0
91.05439	3.1
93.07029	4.2
95.05006	2.3
95.08587	7.3
97.10160	7.6
99.04469	4.9
105.07041	2.8
107.08575	4.6
109.02916	3.0
109.06558	3.1
109.10178	4.8
111.04453	35.8
111.11719	5.0
119.08590	3.6
121.06551	2.2
121.10105	2.3
123.04453	5.2
123.08029	2.2
123.11735	3.1
125.05977	4.0
131.08534	2.7
135.04387	4.7
137.05962	4.9
139.03918	29.6
139.07549	2.0
145.10178	2.8
149.02347	6.3
151.07550	3.4
153.05450	7.7
163.03880	5.5
165.05460	16.1
165.09062	4.2
167.07054	9.2
169.05025	3.5
169.08647	5.5
177.05455	3.0
177.09207	2.2
181.04970	100.0
183.06519	4.2
191.10638	3.3
195.06628	3.4
205.08719	2.2
217.12489	2.1
220.37740	1.9
221.11835	3.2
223.09560	2.2
237.26268	2.2
251.12846	3.1
411.32568	5.5
429.33505	20.7
447.34598	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01864	2.5
55.74868	0.7
57.03440	3.1
61.02898	0.7
62.20170	0.6
69.03434	17.0
69.07025	0.7
69.82597	3.2
70.06591	2.0
71.04998	1.0
73.02910	1.7
78.03461	7.5
79.05505	0.9
80.05009	1.8
81.03423	10.2
85.02911	20.2
89.06049	0.8
96.04507	2.6
97.02900	7.0
99.04465	3.1
101.02419	1.1
106.02921	31.5
106.06570	3.0
108.08132	3.4
109.02886	6.4
115.03889	0.8
124.03960	100.0
124.07603	1.4
125.02325	1.3
127.03925	13.7
134.06006	1.3
136.07620	1.8
139.43298	0.7
145.04968	5.4
147.04424	2.0
152.07095	6.5
155.08177	0.8
166.05028	0.9
170.08109	3.6
232.06113	1.3
250.07091	11.3
268.08182	16.3
286.09225	65.5
287.09454	1.3
299.82278	0.7
316.15558	1.6
394.11435	2.2
412.12698	1.2
430.12903	1.0
430.17587	0.9
448.18134	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	447.347
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
50.02061	0.6
50.56395	0.6
51.01321	0.6
53.03929	0.7
55.05512	19.3
57.03428	0.9
57.07079	8.5
62.17151	0.5
65.86362	0.6
67.01850	1.3
67.05505	6.6
69.03406	0.7
69.07074	28.4
70.96368	1.3
71.08632	5.3
79.05478	2.1
81.07063	15.2
83.04974	2.2
83.08150	1.0
83.08624	16.8
85.02903	0.7
85.10172	2.3
91.05471	3.5
93.07052	7.3
93.67816	0.6
95.04980	1.1
95.08617	12.1
97.10175	9.3
103.05473	0.8
105.07033	3.9
107.08585	2.7
109.06513	3.2
109.10158	6.5
111.08012	0.6
111.11743	4.4
111.75706	0.6
117.07042	0.6
119.08572	2.5
120.82575	0.6
121.06482	3.0
121.10139	1.6
123.08084	3.4
123.11712	3.8
125.13265	2.3
131.08559	2.1
133.06487	1.2
133.10153	1.6
135.08044	1.8
137.04991	1.0
137.05988	12.2
137.13242	1.7
138.06699	0.6
139.03896	0.8
139.07565	4.2
139.10048	0.5
141.05490	1.5
145.10126	1.7
147.08075	2.6
147.11674	1.2
149.02394	0.8
149.05974	5.0
149.09621	1.4
149.13211	1.2
151.07556	24.8
151.14816	1.8
157.10112	1.3
159.08101	1.9
159.11688	1.1
161.05959	3.8
161.09613	1.8
161.13304	0.8
163.03929	1.2
163.07576	2.0
163.11223	0.8
165.05479	7.4
165.09109	6.7
167.07050	100.0
169.10158	0.7
171.11723	1.2
173.09639	1.0
174.06784	0.7
175.07552	3.8
177.05598	0.6
177.09140	4.0
178.06300	0.6
179.07031	3.3
179.10652	2.7
181.08571	3.5
185.09590	1.1
186.36751	0.7
187.07497	0.6
188.08351	1.4
189.09103	5.9
189.12790	0.7
191.07040	4.3
191.10759	2.5
192.07864	1.4
193.08640	6.0
195.10202	0.7
201.09149	2.2
203.10696	4.0
205.08603	12.0
205.12221	2.0
207.10155	9.1
215.10646	1.3
217.12306	3.0
219.10207	5.5
219.13678	0.8
221.11678	4.2
229.12262	0.9
231.13754	1.2
233.11682	2.2
235.13293	2.1
247.13387	1.6
249.15012	0.8
259.16992	0.8
263.27484	0.6
277.17984	1.7
285.18454	0.7
291.19583	1.0
305.21225	1.0
319.22620	1.2
333.24207	0.8
347.25757	1.4
389.17633	1.6
401.34222	0.8
403.19476	1.4
404.19867	1.3
411.32745	3.0
417.16580	0.7
419.22137	5.3
429.33673	13.9
447.21597	14.9
447.34698	18.0
448.35043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61895	0.8
55.05515	6.7
57.03448	5.8
57.07080	21.0
67.05504	7.6
69.07065	7.7
71.08630	15.8
71.56158	1.2
73.04771	0.9
79.05488	3.2
81.07059	9.5
83.04977	1.9
83.08630	7.4
85.10187	7.0
88.02224	3.8
88.44050	0.9
89.06028	1.1
91.05811	1.4
93.07035	3.4
95.08617	13.6
97.06578	1.0
97.10175	3.2
105.07070	2.0
105.77473	1.0
107.08592	3.8
109.10152	6.2
111.11687	1.2
119.08607	2.1
119.99417	1.1
121.10162	1.3
123.11724	2.6
131.08606	1.6
133.10132	1.7
134.98193	59.7
135.11664	1.5
137.09647	1.7
137.13252	1.9
145.10101	1.5
147.11618	1.2
149.02345	1.4
152.99237	1.4
159.11703	1.0
165.09155	10.5
167.05531	1.3
167.07022	2.1
173.13341	1.0
176.00935	1.3
209.01901	3.2
273.07632	0.9
313.27377	37.7
335.25571	2.5
341.42059	0.8
353.26688	2.2
361.02814	1.0
415.22238	1.4
417.63376	1.0
429.23682	2.1
429.33371	2.0
447.24847	100.0
448.25290	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	447.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.3
55.05305	2.1
55.05518	28.1
57.03442	35.9
57.07065	7.7
67.05171	4.1
67.05509	55.7
69.07072	21.2
69.47187	19.4
71.08624	4.9
79.05495	29.5
81.07060	58.5
83.04964	2.9
83.08614	20.9
91.05500	11.8
93.07052	39.8
95.04963	4.4
95.08617	41.2
97.10154	9.1
97.42945	2.6
98.98476	29.1
105.07034	11.3
107.08610	17.4
109.06551	2.6
109.10162	20.7
111.11765	2.8
113.00021	100.0
117.07101	2.6
119.08582	8.0
121.10149	14.3
123.11714	8.1
131.08578	11.5
133.10141	5.3
135.11713	14.1
137.00002	32.9
145.10127	6.5
147.11671	6.2
149.13249	7.9
155.01048	29.2
159.11687	3.6
161.13248	2.5
163.14780	5.8
169.02608	18.5
173.13269	2.6
186.75803	2.7
187.03676	9.8
193.02609	3.5
211.03592	6.1
237.22264	4.1
243.21159	5.4
261.22104	19.1
311.25809	25.7
317.24789	4.8
335.25833	82.2
336.26080	3.0
446.55588	3.1
447.25015	38.1
447.30585	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	447.3469
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
53.00291	0.3
55.01871	0.4
55.05497	0.9
57.03422	0.2
57.07080	7.2
59.82732	0.2
65.03933	0.2
67.01866	0.3
67.05491	0.8
69.03407	0.5
69.07046	1.1
69.63232	1.6
71.08287	0.3
71.08639	4.7
79.05502	1.1
81.07070	1.6
83.01348	0.6
83.04971	0.4
83.08614	0.4
85.10189	1.6
91.05491	0.5
93.07037	0.9
95.01342	1.7
95.04961	0.6
95.08588	0.7
97.02924	0.3
97.10181	0.4
99.00823	11.0
99.04469	2.0
105.07019	0.7
107.04952	0.7
107.08569	0.9
109.02896	1.2
109.06541	0.6
109.10160	0.4
113.02371	1.9
117.01850	1.0
117.07014	0.4
119.08571	0.5
121.06493	1.0
121.10117	0.5
123.04414	0.4
123.08057	0.5
123.11726	0.3
125.05988	1.1
125.74228	0.2
131.08583	0.6
133.10132	0.3
134.98195	0.9
135.04449	1.2
135.08025	1.1
137.05948	0.9
139.07538	0.5
145.10115	0.3
149.05971	1.0
149.09608	1.2
151.07573	0.5
153.05479	3.4
155.07079	0.5
159.11797	0.3
163.07564	2.6
167.07089	0.4
169.04945	0.5
177.05457	0.4
177.09093	2.0
179.06982	0.5
181.04965	13.8
183.06511	1.0
191.07057	1.8
191.10683	1.1
195.06546	32.6
199.06075	0.3
205.08589	1.4
205.12166	0.4
209.08099	17.7
219.10130	0.5
223.09673	17.3
233.11780	0.5
237.11234	11.7
251.12784	7.7
265.14343	5.0
279.15915	2.2
293.17441	1.6
307.19064	1.9
313.27393	0.7
321.20602	1.6
335.22089	0.7
349.23730	0.8
363.25244	0.6
377.27075	0.4
387.32602	0.4
391.28409	1.0
405.29987	0.3
447.25806	6.5
447.34711	100.0
448.35211	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	446.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.05513	3.3
56.05825	0.5
57.07063	1.3
63.56624	0.4
67.05508	3.4
68.05817	0.5
69.07073	3.6
70.07407	0.4
71.08630	0.7
76.87186	0.4
79.05471	0.5
81.07052	2.6
82.07367	0.6
83.08598	2.0
91.05458	0.8
93.07050	1.1
95.08593	1.3
97.10159	1.0
105.07027	0.7
107.08588	1.0
109.10170	4.7
110.10465	0.7
119.08582	3.1
121.06517	8.7
121.10171	0.5
122.07281	1.6
123.11715	0.4
125.13256	0.5
135.08032	1.5
136.08842	11.5
137.09625	12.6
138.10010	1.2
139.47307	0.4
145.10159	0.6
149.09645	2.6
150.09993	0.9
151.07542	0.7
152.08304	1.7
159.11617	0.7
163.07591	0.6
163.11203	1.6
164.08348	30.8
164.11456	0.8
165.09126	100.0
166.09456	9.5
175.11128	0.6
177.09131	1.9
177.12761	1.0
178.09769	0.6
187.11237	0.7
189.09138	1.1
189.12813	0.5
190.09900	0.8
191.10666	1.8
200.11636	0.6
205.12248	6.8
221.08092	0.6
351.96097	0.5
373.14758	0.7
386.15735	0.5
387.16296	1.0
388.16553	1.1
389.17535	0.8
402.18262	0.6
403.19177	1.6
410.62717	0.5
416.16089	1.5
417.16357	1.1
417.21283	0.8
418.21558	0.9
419.22366	1.1
428.36322	3.3
430.17722	1.1
431.18274	4.2
446.20709	20.7
446.37592	59.9
447.21582	3.2
447.38138	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	446.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89704	0.8
53.03931	0.7
53.76514	0.6
55.01869	1.1
55.05514	1.3
55.45268	0.7
60.04476	0.8
69.03435	1.6
69.72327	1.5
69.72735	2.8
70.06602	5.0
72.08154	5.9
73.02920	1.3
73.04755	2.6
73.06583	1.2
81.03418	0.9
82.06585	0.8
83.05008	0.9
84.04517	2.2
84.08150	2.2
85.02911	2.6
86.09711	4.5
88.04002	3.8
89.06035	0.8
91.05833	4.9
94.06594	0.7
95.04967	1.5
97.02888	1.7
98.06056	0.7
102.04657	0.8
102.05531	0.8
103.05476	35.8
107.04902	0.7
109.02904	1.4
110.07213	0.9
111.26006	0.7
116.07116	0.9
124.07577	0.9
127.03949	1.6
131.04939	100.0
132.05255	1.1
135.10207	1.8
136.07674	0.8
138.05521	2.6
140.07071	3.9
145.04993	0.9
147.04451	1.0
149.00581	0.7
152.07100	5.9
157.97772	0.7
163.07561	44.1
167.05554	2.1
171.06602	0.7
171.29753	0.7
179.01636	0.8
179.07109	0.8
186.03986	0.8
194.00443	1.7
207.01137	4.4
209.02705	5.1
226.04321	1.1
233.02716	1.1
237.02130	0.8
259.04047	0.9
275.03677	1.8
303.03253	1.4
305.04718	1.0
321.04355	1.5
338.86328	0.7
359.02869	1.7
360.02908	3.9
410.08972	1.7
446.19580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
57.03436	4.1
57.07391	1.3
59.05006	86.7
61.02927	1.9
63.42388	1.3
65.91307	1.5
67.05509	1.9
67.70930	1.3
69.03434	5.6
69.07063	2.7
70.06594	12.4
70.23975	2.1
70.24319	5.0
71.05011	1.6
72.08157	18.2
73.04762	1.7
77.28580	1.7
81.03435	5.1
82.06573	1.8
84.04506	3.8
84.08148	14.5
85.02916	13.7
86.09718	13.9
87.04490	1.9
89.06039	67.7
90.05577	2.2
91.05838	2.5
92.05744	1.4
97.02905	41.8
97.27599	1.3
97.64302	1.4
99.04472	2.0
100.07661	1.6
103.04002	1.6
103.05455	1.5
103.07594	3.3
107.07075	5.2
109.02905	3.8
112.07604	1.3
116.07134	2.0
117.09166	12.4
119.08625	1.5
120.08122	1.5
124.03964	1.6
127.03930	4.6
128.07121	1.4
129.10213	2.3
133.08611	17.7
136.03964	1.8
136.07571	2.1
138.05530	4.4
138.09146	1.8
140.07100	2.1
145.04977	1.6
147.04437	1.7
149.76012	1.6
151.09668	70.7
152.04286	2.1
152.07072	3.3
154.04922	1.5
161.11758	1.9
167.05606	2.0
182.08260	1.7
183.11456	1.4
190.23969	1.3
191.12782	3.4
198.04462	3.5
198.11351	2.3
201.12303	1.5
201.32913	1.3
207.01060	1.6
209.13847	23.5
220.06065	4.1
231.17059	1.8
240.10280	2.3
267.18060	100.0
284.08585	1.7
286.10687	3.6
294.98071	1.5
360.02963	2.0
433.44406	1.5
446.19614	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	446.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70597	3.2
53.03926	4.5
53.21940	3.5
55.01866	10.0
57.11436	3.5
59.04985	15.1
64.74104	3.5
67.05493	8.8
68.44221	4.1
69.03413	10.7
69.07046	4.1
69.45956	22.0
70.06590	21.4
71.04993	5.3
72.08153	31.0
73.04738	7.3
74.00652	4.4
74.06080	5.3
77.75307	3.5
81.03416	26.1
83.04956	7.2
84.04491	14.3
84.08118	14.7
85.02903	35.6
86.09705	28.0
87.04470	21.5
88.03998	28.6
89.06033	24.1
91.05787	15.1
95.01332	48.8
95.04938	6.9
96.08144	4.7
97.02889	16.7
99.04440	11.6
101.79548	3.7
103.03968	23.8
107.04951	7.9
109.02892	25.7
110.06047	6.5
110.07095	5.6
113.02338	7.9
116.07069	11.9
117.05460	5.1
119.04913	5.3
121.02875	9.2
123.04437	4.7
124.07565	6.2
127.03893	14.3
130.05003	14.5
131.04901	11.1
133.02834	4.7
133.08600	10.0
135.04390	7.5
136.07556	7.3
138.05499	49.2
140.07071	4.7
147.04430	18.1
147.07590	20.8
149.00551	5.8
151.02126	7.7
151.09650	11.1
155.01582	9.9
157.04800	5.0
159.04396	21.5
159.11270	9.7
161.02319	5.3
161.06059	5.2
163.02049	5.6
163.03886	10.5
163.09669	18.9
164.07065	6.1
166.05000	12.1
167.01653	6.9
167.05544	5.8
172.92261	3.8
173.05911	7.9
175.02243	7.2
175.03838	6.9
177.05498	4.5
179.01602	33.1
183.01123	30.5
185.04416	5.0
187.02086	11.0
187.03844	5.5
187.10814	4.9
191.01608	17.5
191.03314	9.4
193.03174	10.0
194.00363	8.3
199.02193	8.3
201.00096	5.9
201.03726	5.3
201.05453	14.4
202.00903	4.3
203.01691	5.3
205.03172	23.7
207.01129	100.0
207.04688	7.3
209.02708	34.6
209.10254	10.3
215.01556	6.0
215.03461	7.2
217.03154	17.2
217.05020	4.8
219.01112	12.6
219.04738	7.2
221.02679	5.8
225.02126	21.4
229.05055	6.2
231.01068	5.1
233.02695	52.1
235.00568	11.8
235.04250	5.8
236.39212	4.4
237.02179	22.7
237.12320	8.0
242.05826	4.5
245.02672	8.8
247.00566	5.1
247.04295	11.5
248.12761	5.2
249.02180	8.1
249.13387	7.9
251.03738	11.0
253.01625	7.4
257.02689	10.8
259.04184	8.2
260.16052	13.1
261.02115	14.4
263.03860	7.4
267.14343	27.2
273.02298	7.6
273.05673	5.6
275.03714	64.5
277.05383	11.4
279.03198	18.4
283.04184	5.2
284.14948	7.6
293.04666	6.6
297.04276	13.8
301.05286	14.9
303.03195	93.9
305.04761	23.8
321.04141	23.3
328.06381	12.1
329.04739	13.2
339.05273	21.6
346.07458	17.9
347.05795	6.5
350.06866	9.3
360.02988	9.9
374.06781	13.6
375.05228	29.4
392.07870	49.9
393.06277	15.5
410.08966	18.7
411.07541	20.9
428.10291	23.3
428.15054	6.1
429.08517	7.0
446.14932	19.6
446.20004	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	10.0
55.05515	40.3
57.07087	55.2
61.27654	5.9
67.05500	26.3
69.06729	5.8
69.07074	84.7
71.08640	30.0
71.55840	7.0
76.37115	5.1
79.05482	14.6
81.07069	63.7
83.08620	55.4
85.10175	20.2
91.05434	11.7
93.07051	35.0
95.08606	44.4
97.06528	7.6
97.10165	28.1
105.07038	10.0
107.08606	26.1
109.06512	7.1
109.10169	27.7
111.08064	11.1
111.11706	15.5
114.16691	5.4
119.08576	8.4
121.06495	11.5
121.10105	20.3
123.08034	8.7
123.11682	15.5
125.09573	8.7
125.13334	6.1
135.08112	9.3
135.11711	14.9
137.05931	15.4
137.13190	7.5
139.07556	100.0
149.09641	7.8
149.13330	11.9
151.07547	9.7
159.11687	6.9
163.14857	10.5
164.32411	5.2
165.05447	15.6
165.09117	25.0
177.09085	7.1
188.80692	6.0
193.08559	10.4
289.28900	14.4
307.29929	18.8
427.35544	6.2
445.36835	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	globosterol
Peak:m/z	Relative Intensity
53.03931	3.5
53.71870	3.7
55.05519	27.3
55.76741	3.6
57.07063	14.0
67.05514	27.0
69.07074	44.9
71.04983	12.6
71.08618	10.3
71.55516	3.6
79.05508	19.9
81.07066	79.6
83.08632	29.7
83.47174	3.3
85.06532	13.6
85.10152	4.4
90.89211	4.1
91.05480	12.6
93.07042	44.1
95.08614	100.0
97.10178	19.3
99.04448	5.2
105.07031	32.2
107.08603	51.5
109.06541	10.6
109.10167	52.2
111.11661	6.3
113.09657	12.2
117.07050	4.9
119.08590	39.2
121.10141	43.9
123.08085	4.4
123.11718	24.9
131.08589	7.9
133.10156	44.4
135.11711	21.8
137.05980	7.4
137.09688	4.1
137.13235	12.6
139.07555	6.9
143.08632	3.8
145.10112	15.9
147.11713	34.1
149.09612	7.8
149.13269	19.7
151.11209	6.8
153.06482	4.0
157.10114	5.5
158.03247	3.2
159.11700	11.6
161.09555	5.7
161.13315	18.0
163.11224	9.0
163.14815	15.3
165.09145	28.6
173.13275	12.9
175.14861	20.8
177.09187	5.2
177.12753	3.9
177.16344	11.0
185.13124	5.1
187.14859	12.6
189.16394	25.1
191.10603	5.4
191.17984	6.1
193.15904	4.4
199.14909	4.6
201.16412	6.3
203.17924	11.9
205.12231	4.3
205.15912	4.6
207.17497	12.8
215.17955	7.2
217.19601	5.4
219.17476	6.8
221.19112	5.2
223.17009	4.0
271.24188	6.0
387.16068	5.8
409.34653	14.2
415.15454	6.6
427.35745	38.2
430.17642	7.0
445.20020	51.1
445.31116	4.3
445.37143	37.1
446.21002	8.4
459.28711	3.9
461.45792	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.8
57.07072	4.3
62.23955	0.3
67.05506	5.2
68.16088	0.4
69.03436	0.4
69.07070	15.5
69.16996	0.4
69.54510	2.6
71.08650	2.1
77.65630	0.3
79.05476	1.4
81.07063	7.2
83.04974	0.7
83.08624	9.1
85.06555	0.4
85.10192	0.5
87.01199	0.3
91.05470	1.8
93.07043	2.1
94.09992	0.3
95.08612	6.3
95.64381	0.3
97.10174	4.5
97.80878	0.3
105.07057	2.2
107.01038	0.3
107.04979	0.3
107.08611	3.1
109.06496	0.4
109.09472	0.6
109.10172	6.6
111.04466	0.4
111.11737	2.8
117.06997	0.9
119.08586	2.9
121.06480	0.4
121.10174	2.6
122.07285	1.0
123.08051	0.8
123.11763	1.7
125.05998	0.5
125.13264	0.8
131.08560	1.6
133.10146	1.3
135.08066	2.9
135.11740	1.8
137.06007	0.6
137.09624	9.0
137.13232	0.9
139.07532	1.4
142.72932	0.3
143.08627	0.4
145.10146	1.4
147.07990	0.5
147.11665	0.4
149.09631	10.5
149.13232	1.0
151.07561	1.0
151.14812	0.4
157.10127	0.6
159.08066	0.6
159.11687	0.9
160.08842	1.0
161.09610	0.5
163.11203	10.1
165.09119	100.0
166.09453	1.5
171.11713	0.4
172.08977	0.5
173.09639	1.3
173.13295	1.0
174.10301	0.6
175.07483	0.6
175.11195	3.6
176.08301	1.0
176.13223	0.4
177.09111	6.5
177.12708	0.7
179.10599	0.9
185.13181	0.4
186.10457	0.7
187.11194	1.1
189.09134	2.4
189.12735	1.6
190.09969	0.7
191.10681	5.0
199.11169	2.8
201.12737	1.7
203.10654	4.6
203.14287	1.0
204.11256	0.4
205.12253	7.1
213.12857	0.5
215.14299	0.7
217.12291	0.8
219.13843	2.2
231.13837	1.0
233.15385	0.8
247.17082	0.7
261.18399	0.4
275.20081	0.7
289.21457	0.8
301.21774	0.5
303.23303	0.5
317.24628	0.6
325.56143	0.4
332.75385	0.4
399.32245	0.7
401.17914	0.5
409.34497	0.5
415.15790	0.7
417.21085	0.5
427.30716	0.4
427.35843	3.7
429.17380	0.7
430.17691	0.7
445.20114	7.8
445.30365	0.8
445.36780	7.2
446.20978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
53.89019	1.4
55.01870	3.2
55.05296	1.5
55.05513	16.8
55.69049	1.4
57.03426	2.4
61.90961	1.3
65.03933	2.5
67.05508	45.7
69.03414	3.0
69.07078	15.0
71.05013	1.8
71.55444	2.2
72.08157	2.1
79.05496	37.1
81.07066	41.6
83.04994	4.0
83.08616	7.8
85.06541	4.1
91.05486	52.5
93.07047	35.7
95.04972	6.7
95.08610	22.0
97.06536	3.4
97.10153	2.2
99.08117	1.6
103.05497	3.0
105.07047	52.0
107.04964	5.4
107.08599	15.2
109.06503	3.7
109.10175	8.4
111.08073	2.8
113.00018	3.7
115.05441	3.9
117.07027	28.9
119.08593	30.6
121.06508	4.7
121.10164	10.4
123.08075	3.8
123.11676	2.2
125.09618	1.9
125.16972	1.4
128.06247	4.2
129.07024	19.9
130.07849	2.1
131.08582	37.3
133.06543	3.2
133.10143	16.2
135.08073	6.3
135.11700	3.8
137.09593	2.6
141.07001	6.8
142.07794	2.7
143.08585	16.8
145.06512	2.8
145.10141	22.3
147.07928	3.3
147.11694	4.5
149.09630	3.7
149.13246	1.9
151.07486	1.6
151.11197	1.8
155.08571	9.2
157.10143	10.1
159.11659	10.0
161.09631	2.9
161.13242	3.3
163.07561	1.9
165.09113	2.6
167.05562	2.8
167.08601	3.6
169.10143	6.9
171.11691	8.9
173.13266	4.4
175.11238	2.2
181.10187	3.7
183.11720	5.1
185.13313	5.7
187.11177	1.6
187.14822	1.9
189.12837	1.6
195.11746	4.2
197.13274	4.9
199.14874	2.5
209.13310	3.5
211.14891	2.9
213.12737	2.3
213.16425	1.7
219.13919	2.6
221.13420	1.7
225.16362	3.0
227.14499	2.6
229.15964	1.7
233.15453	2.5
241.15947	1.9
247.17046	4.0
273.18503	3.0
274.29163	1.6
287.20081	1.9
290.64661	1.4
325.25354	4.1
335.23831	3.2
343.26379	5.2
353.24869	16.3
359.02951	2.4
371.25827	16.3
389.26987	16.8
427.28375	3.9
445.29532	100.0
446.30005	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	445.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01879	4.8
55.05516	15.4
55.87471	1.0
56.78790	1.0
57.03419	3.2
57.07057	1.6
59.04988	2.4
65.03937	1.7
66.44964	1.0
67.05506	45.7
69.03423	1.7
69.07065	14.3
69.74152	2.0
69.74562	4.8
71.04977	3.7
79.05496	37.4
81.03405	2.3
81.07057	45.5
83.04961	3.4
83.08626	7.8
84.33537	1.2
85.02840	1.6
85.06532	2.9
91.05479	57.8
92.05780	1.2
93.03371	1.1
93.06485	1.9
93.07048	38.0
95.04970	7.9
95.08612	33.1
95.13324	1.0
97.02881	1.4
97.06506	3.9
97.10146	3.5
97.85813	0.9
99.08083	2.5
103.05460	1.8
105.04516	1.4
105.07033	52.8
107.04951	2.9
107.08595	17.4
109.06494	4.7
109.10161	11.0
111.08083	2.4
115.05450	3.3
117.06231	1.7
117.07019	27.9
119.08583	34.1
121.06459	4.3
121.10139	12.3
123.08080	2.5
123.11675	2.2
128.06230	6.0
129.07008	18.8
130.07700	1.5
131.07587	2.1
131.08572	40.4
133.06483	2.8
133.10136	17.0
135.08031	4.6
135.11685	5.3
137.09575	2.4
141.06999	7.2
142.07753	2.1
143.08580	16.4
144.09288	1.1
145.06462	1.7
145.10120	25.6
147.04399	3.0
147.08020	4.2
147.11708	8.0
149.09576	2.7
149.13290	1.5
151.11168	1.3
153.06982	1.3
155.08571	10.0
157.10123	10.6
159.08034	1.6
159.11694	10.8
161.09599	3.1
161.13258	2.8
163.11116	1.7
165.12787	1.4
167.08517	3.6
169.10120	7.9
171.08031	1.5
171.11705	8.4
173.09583	1.3
173.13220	6.5
181.10141	5.5
183.11656	6.2
185.09590	1.2
185.13332	5.0
187.11169	2.0
187.14783	2.3
189.12711	1.1
189.16360	1.3
195.11638	4.2
197.13249	6.4
199.11215	1.6
199.14696	2.8
201.16377	1.5
209.13214	3.1
211.14760	4.1
213.12753	2.5
213.16443	2.1
217.15814	2.1
223.14766	2.9
225.16283	2.5
227.14325	1.6
233.15314	2.1
237.16370	1.6
241.15918	2.5
243.17404	1.3
245.15410	1.3
247.16966	2.4
253.16022	1.1
255.17369	2.3
259.16885	2.8
261.18518	2.7
273.18433	1.5
292.63318	1.2
325.25165	3.7
335.23746	7.0
343.26172	5.2
353.24789	18.6
359.02637	1.6
371.25784	20.6
389.26859	19.8
427.28265	3.6
445.29297	100.0
446.29639	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	445.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.5
53.03949	6.6
55.01861	2.9
55.05516	10.6
57.03445	14.2
59.04985	2.5
61.02922	1.6
65.03939	2.2
65.88613	1.2
67.05509	48.3
69.03433	19.8
69.07076	7.8
69.57640	7.7
70.06586	2.2
71.04998	100.0
72.08141	3.2
73.02924	2.5
73.04761	1.4
79.05058	2.2
79.05497	25.1
81.02978	2.2
81.03423	28.0
81.07064	68.1
83.04982	12.6
83.08635	5.9
85.02911	12.3
85.06553	7.3
86.09682	1.6
87.04460	2.2
91.05476	40.4
93.07045	21.7
95.04983	6.3
95.08617	12.9
97.02284	2.2
97.02902	36.2
97.06560	8.2
97.10136	1.3
99.04494	7.4
99.08073	2.9
102.72737	1.3
103.03942	2.1
105.07031	22.9
107.04937	3.5
107.08607	17.9
107.69663	1.3
109.02881	8.5
109.06531	4.6
109.10162	13.1
111.04472	6.2
111.08067	2.7
116.01047	1.2
117.07013	3.3
119.08561	5.0
121.06497	3.3
121.10131	5.8
123.08133	2.7
123.11726	15.7
125.05989	2.8
125.09639	2.1
127.03933	10.3
129.05519	2.8
129.07025	1.9
131.08592	6.9
133.10141	29.0
135.11717	6.3
137.05989	3.8
137.09587	1.4
139.11258	1.8
143.08620	2.2
145.10042	2.7
147.11690	3.1
149.09653	2.4
149.13286	8.3
151.03871	1.8
151.11200	18.9
153.05464	2.6
157.10146	2.3
158.63611	1.5
159.11711	7.8
161.05988	1.5
161.09583	1.7
163.11221	1.3
165.09085	2.5
167.06995	1.8
169.12225	4.5
171.06534	1.9
173.04529	7.7
173.05820	1.4
173.09712	1.6
173.13196	1.3
175.11237	2.1
177.09093	1.7
177.12798	7.8
179.10712	1.7
179.14375	1.8
183.06555	2.9
183.13824	10.0
187.13326	27.6
187.14946	2.6
189.27034	1.3
195.13815	6.4
197.11688	1.7
201.14838	18.8
205.11928	1.5
207.13791	1.8
213.14926	2.0
231.13872	1.4
239.16389	1.7
243.15961	5.9
257.17487	58.9
269.17459	5.7
273.61646	1.5
283.06104	1.8
283.19315	1.5
285.16977	2.5
301.20108	10.9
326.08524	1.4
339.18198	1.9
359.02890	1.7
377.19876	2.0
395.20615	3.8
413.08682	4.9
413.21753	11.6
427.23389	2.2
445.24350	60.8
446.24713	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
54.30603	0.6
55.01866	0.8
55.05506	1.8
57.03426	1.3
61.02916	1.4
67.05497	2.2
68.99770	0.8
69.03431	6.6
69.07073	1.3
70.06602	3.2
71.05000	1.4
71.18511	0.6
71.55481	0.7
72.08153	2.6
73.02917	1.4
73.04748	1.1
79.05491	2.5
80.51775	0.7
81.03423	7.5
81.07055	2.4
83.04999	0.8
84.04488	0.7
84.08099	0.7
84.32604	0.6
85.02901	10.7
85.06554	0.7
86.09704	4.1
87.00846	4.3
91.05435	3.9
92.93874	0.6
93.07056	6.2
95.04957	1.3
95.08614	1.9
97.02908	6.2
97.06536	1.5
99.04445	1.9
105.01854	1.9
105.07037	7.4
107.08598	38.7
109.02888	6.5
109.06519	2.0
109.10155	3.4
109.12695	0.6
115.03931	0.7
119.04927	0.7
119.08555	3.4
121.06509	1.4
121.10147	3.1
123.08115	0.8
123.11732	1.0
127.03928	8.6
129.01814	0.8
131.04953	1.2
131.08604	1.6
133.10133	17.9
135.11708	4.0
137.05965	1.5
137.09639	1.4
139.07573	0.9
140.63658	0.6
142.96504	0.7
143.08527	1.0
144.46718	0.7
145.04938	1.5
145.10043	0.9
147.04413	1.1
149.09615	2.6
151.03873	1.9
151.07544	0.7
151.11153	4.1
151.40834	0.6
153.05412	1.1
159.02899	1.7
161.09654	5.4
163.03941	0.7
163.11177	0.7
167.05632	1.0
167.10689	5.6
169.40793	0.7
179.10686	14.6
197.11746	100.0
198.12057	2.0
205.08676	0.7
213.03992	0.7
213.06726	0.7
231.04976	1.5
239.08220	0.9
253.06137	0.7
255.11218	0.8
257.61874	0.6
267.07565	0.7
271.07135	0.8
283.15469	0.9
285.08923	0.7
295.07028	1.5
307.09570	0.7
359.02734	1.7
385.11362	1.0
427.12109	0.9
427.17209	1.0
433.44406	0.6
445.16830	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	444.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07779	0.9
51.87333	1.2
52.08054	1.0
55.01873	1.7
57.03434	2.8
61.02914	2.0
69.03434	8.7
70.06585	10.1
71.05009	1.5
71.54198	1.6
72.08154	2.5
73.02926	1.4
73.04739	1.2
81.03422	4.7
82.82471	1.2
84.04518	1.7
84.08138	7.4
85.02901	11.6
86.09731	3.1
87.04473	1.6
88.04003	2.2
91.05791	3.9
95.05010	1.3
97.02914	7.1
97.03424	1.3
99.04467	2.0
109.02909	2.5
116.07133	1.8
126.14317	1.1
127.03934	2.4
130.87410	1.1
136.07590	2.5
145.05237	1.1
145.06445	1.4
145.18452	1.2
151.04048	1.2
159.08086	7.3
163.03911	2.8
163.07578	5.2
164.07141	1.5
165.05504	5.3
167.05598	2.2
173.06018	2.8
177.05528	2.8
187.07524	11.7
190.01346	1.2
191.07033	44.9
204.10243	1.5
205.08682	2.1
214.85890	1.2
215.07036	7.0
222.11252	1.9
233.08087	4.2
264.12262	18.3
282.13351	100.0
296.47067	1.3
297.05490	1.6
359.02536	1.8
444.18723	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	445.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.1
55.05504	2.8
57.03415	1.5
59.33098	1.5
65.03964	2.0
67.05506	2.4
69.03429	6.4
69.07071	2.0
69.95748	1.5
69.96032	7.2
70.06310	1.3
70.06599	14.9
71.04977	2.0
72.08160	15.0
73.04741	2.7
79.05509	2.1
81.03429	7.6
81.07062	2.7
84.08183	3.4
85.02901	5.3
86.09716	13.1
91.05432	10.3
93.07030	1.7
97.02896	6.9
99.04443	2.6
107.04919	1.9
107.08567	2.0
109.02885	3.3
119.04952	18.9
119.08662	1.6
120.08102	1.4
121.02848	3.6
123.04459	1.6
125.07146	1.5
127.03918	4.1
129.10237	1.7
130.08641	2.2
133.10141	1.8
135.04379	2.1
135.08107	1.6
146.05957	1.9
147.04422	100.0
163.11224	2.1
165.05505	4.0
167.05539	1.6
179.14304	2.0
188.07047	1.7
198.77057	1.5
209.11711	3.8
224.32707	1.5
225.04410	1.6
227.12848	2.8
283.16385	2.6
304.08142	3.4
309.09766	2.2
354.76019	1.8
359.02893	3.7
445.20587	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	444.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33364	1.2
53.50147	0.9
55.01867	1.5
55.05509	2.6
61.02923	2.5
62.83598	1.0
67.05491	4.6
69.03436	2.7
69.07061	4.7
69.34840	1.0
69.35136	10.0
70.06583	3.4
73.02917	1.7
75.87884	1.1
79.05492	5.1
80.05801	1.3
81.03425	3.4
81.07057	4.1
83.04961	1.1
84.08144	4.8
85.02893	3.6
86.09686	1.6
88.64323	1.1
91.05477	5.7
93.07041	4.6
95.04980	1.2
95.08603	4.8
96.08961	2.1
97.02898	4.9
97.06525	2.7
105.07036	3.5
106.07317	1.2
107.08589	2.8
109.02917	1.6
109.10137	1.9
112.12019	1.2
116.07073	2.1
119.08609	1.7
120.08894	1.4
121.10122	2.4
130.07373	1.4
133.10127	2.2
136.06212	1.5
140.05000	1.4
145.10129	1.6
147.11690	1.3
148.12001	1.3
154.06570	1.5
155.06050	19.8
163.14723	1.1
165.09167	2.1
167.06049	4.5
168.06934	1.6
169.07625	31.7
169.09070	1.8
170.06023	2.7
179.06046	10.6
181.07666	3.2
182.08496	1.9
183.05530	15.9
183.09148	2.6
185.07095	7.3
193.07646	12.6
195.05559	23.0
195.09248	1.5
196.06285	10.4
197.07100	27.4
198.05501	6.3
201.06664	2.7
207.05516	7.6
208.06400	2.3
209.07126	5.2
211.05049	3.2
211.08704	3.9
213.06628	19.4
221.07123	19.6
223.04912	1.7
225.06604	42.0
225.16582	1.3
229.06094	22.0
237.06612	4.4
238.07475	3.8
239.04552	2.8
239.05707	1.7
239.08167	25.8
241.06206	3.0
241.45566	1.1
243.07649	6.7
249.06657	10.6
253.06131	6.9
255.07730	1.8
256.08582	1.2
257.05710	6.6
265.06039	2.5
267.07648	17.7
267.10263	1.4
269.05551	5.5
271.07159	28.6
277.06061	11.5
282.17767	1.5
283.07159	2.0
285.08701	30.5
295.07166	34.3
295.10385	2.1
298.59219	1.2
312.09781	2.0
313.08206	28.8
320.13858	1.1
331.09332	4.9
338.14890	12.1
342.04538	1.2
349.95718	1.2
362.15222	2.1
380.16077	15.6
384.15604	40.8
398.17133	38.0
426.16656	42.4
427.17148	1.8
444.17700	100.0
445.18304	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	444.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01009	1.0
67.05508	2.4
67.11820	0.9
69.07068	2.0
70.00327	2.1
70.00700	4.7
70.06590	2.5
72.08152	1.4
79.05486	2.4
81.07054	4.0
84.08167	1.6
91.05428	1.2
93.07042	2.1
95.08600	2.3
97.02866	1.3
97.06541	1.3
98.20756	1.4
105.07040	2.7
107.08610	1.5
109.10151	1.1
115.54181	1.0
119.08546	1.6
121.10130	1.2
123.11707	1.2
133.10146	1.2
136.06218	1.4
140.04961	2.6
145.10175	1.2
155.06041	19.3
158.08218	1.2
165.09154	1.8
166.06575	1.2
167.06042	3.7
168.06830	2.5
169.07622	36.5
170.06052	1.6
177.93907	1.1
179.06044	10.5
180.06816	1.4
181.07635	2.2
182.05988	1.7
182.08379	1.9
183.05553	19.4
183.09222	2.2
184.07614	1.0
185.07141	9.8
188.67686	1.1
193.07610	13.4
194.06058	2.3
195.05576	25.4
196.06326	14.7
196.10379	1.3
197.07130	26.6
198.05478	6.6
199.05096	1.7
199.65739	1.1
201.06567	2.0
207.05591	7.6
208.06380	1.7
209.07123	5.0
210.07819	1.2
211.05133	2.4
211.08673	6.2
213.06610	21.7
221.07112	22.2
222.07869	1.1
223.05287	1.9
225.06615	47.5
227.08279	1.8
229.06116	18.8
237.06660	5.6
238.07492	5.2
239.04556	2.3
239.08163	24.2
241.06035	3.5
243.07687	5.3
249.06615	9.4
253.06154	9.2
255.07693	1.8
257.05688	5.1
265.06195	2.0
266.07059	2.4
267.07663	18.1
268.71338	1.0
269.05682	3.2
271.07153	30.7
277.06116	12.2
283.06998	1.3
285.08716	30.6
295.07159	35.6
312.09753	1.6
313.08218	33.2
314.08514	1.4
320.13873	1.3
331.09122	6.2
338.11279	1.0
338.14948	6.3
362.15176	1.2
380.15991	12.6
384.15573	47.4
385.15793	1.2
398.17114	27.0
426.16608	41.1
444.17703	100.0
445.17853	2.8
449.37332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3885
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
50.23977	5.3
55.01863	6.8
55.05523	36.5
57.03418	6.7
57.07072	17.4
66.00143	5.4
67.05507	58.2
69.03422	24.1
69.07066	38.3
69.29443	60.3
70.06586	5.4
71.04991	16.9
74.36823	5.8
79.05501	25.5
79.78980	6.4
81.07056	89.4
83.08598	14.5
85.02908	9.0
91.05482	34.2
93.07066	53.9
95.08608	97.9
97.06555	8.0
97.10187	8.0
98.20762	10.3
105.07009	40.1
107.08595	72.6
109.10151	100.0
111.11726	7.8
117.07020	7.0
119.08591	39.7
121.10151	55.6
123.11734	45.8
125.09609	9.5
127.11190	16.6
129.05411	6.8
131.08569	26.9
133.10089	37.6
135.11708	48.3
137.13260	16.8
143.08546	13.9
145.10112	28.4
147.11719	40.3
149.13242	37.8
151.14882	6.4
153.12689	8.3
159.11681	27.3
161.13268	23.5
163.14792	17.9
171.11633	7.4
173.13245	22.4
175.14806	22.9
177.16351	19.1
185.44141	6.3
186.14037	9.8
187.14809	23.2
189.16411	24.4
191.17986	38.3
195.17433	17.0
199.14862	8.7
201.16400	13.5
203.17953	24.2
213.16336	9.7
214.16989	7.7
215.18008	16.4
217.19528	21.8
229.19539	20.7
231.21106	27.9
233.18999	6.5
261.22055	8.0
279.23172	8.1
350.28043	7.0
407.37198	7.5
413.37836	9.8
425.37820	95.5
443.30304	19.5
443.38766	8.0
457.75818	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	443.3888
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
55.05510	36.7
57.07077	24.9
57.84050	2.9
66.60405	2.5
67.05507	31.7
69.07072	49.8
70.16848	10.4
71.04990	4.6
71.08636	11.5
73.16049	2.7
77.80521	2.5
79.05487	19.0
79.77980	2.9
81.07059	68.6
83.08622	37.7
85.06554	5.7
85.10158	3.0
87.04465	6.4
91.05492	17.5
93.07043	51.0
95.08615	100.0
97.06561	6.7
97.10172	18.2
105.07037	22.9
107.08601	63.1
109.06551	5.8
109.10164	85.2
109.10931	4.1
111.08090	4.7
111.11757	9.5
119.08594	26.2
121.10152	62.4
121.11022	3.4
123.08072	4.4
123.11728	38.1
123.12573	3.4
131.08604	6.8
133.10132	24.7
133.13133	3.1
135.07991	3.5
135.11702	42.8
137.06015	3.5
137.09671	3.2
137.13255	27.8
143.08543	3.1
145.10172	7.8
147.11723	19.1
149.09633	5.0
149.13266	30.2
149.14227	3.2
151.07552	5.9
151.11203	5.1
151.14868	12.7
153.09090	4.9
159.11804	9.8
161.13313	16.6
163.14830	25.3
164.25528	2.9
165.09212	7.0
165.16457	3.2
167.07034	18.1
173.13382	5.9
175.14784	6.8
177.12767	3.8
177.16393	21.4
181.12308	10.2
183.06409	3.3
187.14813	4.4
189.09167	3.6
189.12830	4.2
189.16431	8.7
191.14372	4.2
191.17961	13.6
193.12361	3.7
195.13841	6.8
201.16458	5.4
203.18059	5.4
205.12236	4.0
205.19559	14.2
209.15425	10.2
212.99516	2.7
217.19548	3.7
219.17467	4.3
219.21135	10.4
221.15479	3.5
223.17021	7.5
233.22758	4.4
235.16963	3.1
237.18491	6.0
247.24100	3.7
249.18526	4.6
257.28979	3.2
261.25894	10.5
263.20145	6.6
274.03568	3.3
275.20090	5.7
277.21698	6.9
287.27499	3.5
291.23331	3.3
317.24863	3.7
324.49573	3.4
373.30978	3.9
416.08517	3.5
425.33807	6.6
425.38666	5.0
443.28989	3.9
443.33597	9.4
443.39001	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3889
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.03941	6.3
55.05513	10.7
57.07075	8.6
62.20818	3.2
67.05517	26.8
69.07077	30.0
70.49832	7.3
70.50173	4.2
71.04983	4.7
79.05502	20.2
81.07061	62.5
83.08644	15.3
87.04482	3.6
91.05494	14.8
92.68512	2.7
93.07051	37.9
95.08608	100.0
97.10178	9.6
97.91407	2.9
101.56968	3.2
105.07042	37.3
107.08601	62.6
109.06548	3.3
109.10162	61.2
110.10503	3.3
111.11757	4.4
111.34398	3.5
119.08592	40.2
121.10146	57.2
123.11713	26.5
125.09643	7.2
131.08560	7.9
133.10159	32.3
135.11708	37.3
137.13281	9.3
145.10130	10.3
145.21100	3.0
147.11703	29.2
149.13251	26.9
151.14908	3.8
159.11711	9.5
161.13260	22.9
163.14827	38.8
173.13350	4.3
174.15219	3.5
175.14833	14.3
177.16449	17.5
179.14313	4.7
181.41336	3.4
187.14862	10.6
187.16449	3.2
189.16428	16.3
191.17958	57.8
191.19611	5.3
203.17999	35.9
205.19531	11.5
207.17529	6.0
215.17935	6.1
217.19553	36.9
219.17456	4.0
221.18991	11.7
224.12273	3.3
229.19324	3.1
231.21181	4.7
233.19044	6.5
235.20630	16.1
249.71443	3.0
310.68289	4.0
319.44742	4.1
395.36896	8.2
407.36697	6.5
413.37515	15.4
425.37823	37.8
436.68768	3.6
443.33615	10.2
443.38730	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3886
Annotation	Cerin
Peak:m/z	Relative Intensity
51.01520	1.7
53.03927	2.0
55.05517	11.9
56.87684	1.5
57.07051	7.0
67.05515	12.9
69.07076	16.1
71.08619	3.4
79.05444	5.1
81.07063	25.8
82.27010	1.7
83.08625	14.3
85.10138	1.7
86.92931	1.6
87.04446	3.1
91.05437	6.4
93.07043	14.4
95.08615	33.3
97.10160	4.0
105.07020	7.8
107.07990	2.0
107.08605	24.1
109.10167	27.4
111.11697	4.1
119.08583	10.3
121.10145	21.8
123.08047	1.8
123.11705	14.6
127.95031	1.7
129.09126	2.1
133.10141	9.3
135.11720	12.9
137.13274	9.8
145.10056	4.8
147.11630	5.6
149.13264	15.0
151.14764	2.1
159.11652	3.6
161.13174	6.6
163.14857	7.7
167.10577	2.2
173.13193	2.6
175.14723	2.2
177.16333	7.2
179.14293	1.8
181.12161	3.1
189.16380	1.9
191.17839	5.4
203.17874	1.8
205.19510	3.3
209.15343	3.5
219.21027	2.9
223.16760	3.0
233.22470	2.2
247.24274	2.3
249.18404	1.8
261.25650	2.9
263.20007	3.4
425.37857	2.0
443.34512	100.0
444.35281	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	443.3496
Annotation	Fluvirucin B1
Peak:m/z	Relative Intensity
52.93633	0.7
55.05495	1.7
57.07069	0.8
61.25673	0.6
64.16990	0.6
65.42561	0.6
67.05504	1.4
67.57901	0.6
69.07056	2.7
70.53117	1.0
70.53493	1.4
79.05482	1.6
81.07045	2.8
83.08622	1.7
87.04456	1.0
88.45606	0.6
93.07043	2.1
95.08614	4.1
97.10137	0.8
103.09444	0.6
105.06970	1.1
107.08579	2.5
109.10162	2.8
119.08591	1.8
121.10159	1.9
123.11671	1.9
133.10176	0.8
135.11707	1.6
137.13284	1.4
145.10172	0.7
147.11693	1.0
149.13222	0.8
177.16359	0.9
191.17928	1.5
214.15501	0.6
217.19287	0.7
221.37962	0.6
305.28235	1.2
341.02686	0.7
357.20917	0.8
425.33810	0.8
443.34924	100.0
444.35397	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3887
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
53.90689	3.5
55.05513	10.7
57.07077	8.3
61.07522	2.8
67.05513	32.1
69.07082	21.2
70.06590	5.6
71.08646	3.8
71.22562	6.0
73.23783	2.6
79.05505	14.5
81.07061	67.4
83.08628	9.8
87.04494	6.3
91.05489	8.9
92.86835	3.3
93.07056	33.3
95.08620	100.0
97.06515	3.2
97.10178	10.9
101.60607	3.1
105.07045	25.5
107.08604	60.4
107.45332	3.0
109.06522	4.5
109.10165	87.1
111.08083	4.1
119.08591	34.2
121.10149	40.5
123.11707	23.5
125.09686	6.4
127.11204	5.8
128.49426	3.1
131.08546	4.6
133.10138	24.8
135.11708	32.0
137.13260	8.6
141.85670	3.2
143.08640	3.7
145.10130	13.3
147.11723	22.9
149.13278	13.7
149.37195	3.2
157.10155	3.9
159.11684	8.3
161.13275	19.6
163.14830	24.9
173.13257	3.7
175.14856	12.5
177.16379	10.0
179.14375	10.1
187.11185	3.5
189.16420	15.3
191.17935	18.8
199.14720	5.1
201.16426	6.6
203.17917	19.6
207.17497	3.7
217.19591	16.0
221.19150	9.6
233.19060	5.6
235.20670	3.7
331.29968	5.5
407.37033	3.8
425.38034	28.4
443.33823	10.3
443.39481	6.5
449.76563	3.6
454.17633	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	443.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05513	0.9
56.02193	0.3
56.05020	0.5
57.03443	0.7
60.04499	0.5
60.05650	6.7
61.02928	0.5
67.05505	1.0
69.03428	1.4
69.07072	10.3
69.96283	1.7
70.06596	23.1
71.04987	1.2
72.04494	0.4
72.08153	3.6
72.93787	0.6
73.02925	0.6
76.02197	0.4
79.05484	1.0
81.03405	1.8
81.07066	1.9
83.04971	1.4
84.04507	0.9
84.08145	0.9
85.02898	2.9
86.09708	100.0
87.04453	0.4
87.10049	0.6
91.05481	1.1
93.07059	1.8
95.04963	1.5
95.08605	1.3
97.02901	2.0
97.06506	1.8
97.07628	0.4
98.06074	0.7
99.04432	0.6
101.06043	0.4
105.07045	1.3
107.04958	0.5
107.08617	1.4
109.02897	1.0
109.06519	0.5
109.10159	1.1
110.02416	1.3
111.04478	0.5
112.08735	3.3
113.07117	0.5
114.10338	1.0
115.08708	4.2
116.07103	9.5
117.07026	0.4
119.04974	0.5
119.08597	1.3
120.08102	0.6
121.10151	1.2
123.08083	0.5
123.54732	0.4
127.03927	0.9
128.10718	17.0
130.09753	3.4
131.08575	0.9
133.09836	0.8
135.04501	0.6
135.08052	0.7
136.07602	0.7
137.06090	0.5
137.09605	1.6
139.07585	0.4
145.02826	0.7
145.10085	0.5
147.04451	1.0
147.08058	0.4
151.11276	0.5
152.07146	0.6
153.05455	0.5
156.10187	1.5
156.11327	9.2
157.10889	0.6
158.09258	7.6
159.11714	0.4
163.03941	0.9
163.11171	0.6
164.07043	0.5
175.11916	18.8
177.05513	1.1
177.09097	0.5
181.12283	0.5
187.11116	0.4
196.07973	0.6
199.18166	0.6
205.12323	0.5
215.14420	0.5
226.15579	0.6
228.17108	0.5
229.15587	0.6
231.10181	0.6
234.99013	0.8
253.16747	0.7
259.09943	0.7
263.16492	2.1
269.18695	0.9
271.17630	8.9
275.94412	0.4
281.17554	1.3
288.20432	1.1
299.09564	1.5
351.59839	0.4
443.13882	1.8
443.29788	88.9
444.30197	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	443.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32001	4.3
53.03935	13.2
55.01859	16.8
55.05516	37.3
57.03438	20.8
59.04996	9.5
61.02934	34.5
67.05510	74.2
69.03121	4.9
69.03436	48.6
69.06793	5.1
69.07076	55.7
69.73097	18.4
70.06581	10.6
71.04990	12.0
71.06950	4.7
72.08137	12.8
73.02908	17.5
74.18107	4.3
74.55315	4.4
79.05496	89.5
81.03422	44.2
81.07065	88.9
83.04973	18.1
83.08616	16.2
84.08125	17.6
85.02908	69.7
85.06552	13.1
86.09701	5.1
87.00824	14.1
91.03954	17.4
91.05490	67.4
93.07051	100.0
95.04977	27.1
95.08059	6.5
95.08620	89.8
97.02902	38.3
97.06560	20.6
97.10166	9.4
99.04472	10.3
99.08095	23.1
101.02360	5.4
103.03911	5.6
103.05439	7.4
105.01890	7.0
105.04539	3.7
105.07032	66.9
107.04940	14.8
107.08604	62.0
109.02867	16.8
109.06504	14.7
109.10170	37.2
111.04443	5.9
111.08087	20.1
111.11738	30.5
113.09612	6.9
115.03925	9.7
117.07008	19.4
119.08593	69.1
121.06525	11.2
121.10134	40.8
123.04418	13.8
123.08077	13.7
123.11694	25.6
125.09621	5.0
127.03933	28.1
128.06252	7.6
129.05492	5.7
129.06993	28.8
131.08575	28.2
133.10139	40.8
135.08078	9.5
135.11697	26.9
137.06010	5.5
137.09644	21.1
143.08575	18.5
145.04990	6.6
145.06541	6.2
145.10120	39.5
147.08064	12.7
147.11691	51.8
149.09604	14.2
149.13223	9.4
151.07529	10.6
153.05466	5.9
155.06064	5.4
155.08537	5.5
157.10139	10.9
159.07994	4.8
159.11697	28.8
161.09628	9.5
161.13278	33.7
163.11206	8.9
163.14865	30.6
165.09094	27.5
167.07112	9.8
167.08499	6.6
169.07628	6.7
169.10109	11.7
171.11655	34.6
172.03975	6.6
173.13255	15.5
175.11200	7.8
175.14867	32.2
177.16431	27.0
179.08557	5.7
183.11716	8.8
185.13261	9.4
187.11401	6.9
187.14787	14.4
189.12779	18.9
189.16464	11.0
191.10768	7.0
193.15843	9.0
195.05557	5.5
197.13159	5.7
199.14859	14.2
201.16376	27.0
203.18005	6.0
204.06686	5.4
205.15904	5.3
207.13831	31.0
213.06766	7.3
213.16403	10.3
219.17436	15.2
223.14850	6.9
225.06711	10.7
227.14305	9.2
231.17377	9.8
239.08179	9.9
243.17395	6.5
261.18536	7.6
267.07642	5.2
267.17471	11.9
271.07196	8.7
281.17462	40.5
285.08493	7.6
285.18488	21.1
295.07236	8.6
303.19473	7.3
313.08215	5.3
339.12341	5.2
384.15573	15.2
398.16766	6.9
407.20676	15.2
425.21414	13.3
426.16550	11.8
443.22610	48.2
444.17593	35.0
446.97879	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49842	1.5
53.03944	4.6
53.75293	1.7
55.01867	5.6
55.05518	17.6
56.05035	2.2
57.03436	8.2
57.07075	2.4
58.15533	1.7
59.04996	5.4
60.08165	4.0
60.59828	1.6
61.02922	8.4
67.05508	7.1
69.03434	32.4
69.07078	4.5
69.91252	8.5
70.06594	13.5
71.04987	5.8
72.08157	11.5
73.02901	4.5
79.05486	5.0
81.03422	17.6
81.07059	12.3
83.04979	27.8
84.04507	4.8
84.08134	3.4
85.02911	62.4
86.09712	6.4
87.00864	2.7
87.04467	7.0
89.03938	2.1
90.56870	1.7
91.03954	4.0
91.05487	13.1
93.07050	11.1
95.04971	14.4
95.08595	9.9
97.02895	21.1
97.06537	5.6
98.06062	2.6
98.09694	2.4
98.21401	3.0
99.04452	4.7
100.07619	4.9
101.06017	12.5
103.05444	2.0
104.10747	16.4
105.07050	15.8
105.11086	5.3
107.04971	5.6
107.08602	14.5
109.02862	9.4
109.06517	7.6
109.10171	8.9
110.07202	3.9
111.04471	3.8
112.46987	1.7
113.02388	3.1
116.07110	3.5
117.03386	5.6
117.07015	5.1
118.03699	1.9
118.08648	11.9
119.04967	4.5
119.08532	16.9
120.08106	1.8
121.06493	15.5
121.10140	10.8
123.04459	3.7
123.08061	8.4
124.07602	3.6
125.05988	7.7
127.03918	13.4
128.06230	2.0
129.65703	1.6
130.04961	2.4
131.08586	7.3
133.10115	10.8
135.04439	5.4
135.08069	8.1
135.11671	2.1
136.04790	3.0
136.07578	2.9
137.05997	5.0
137.09634	20.8
138.05519	1.9
143.08563	8.3
145.02866	14.8
145.04967	10.2
145.06583	2.4
145.10143	7.5
146.03218	9.8
147.04413	6.5
147.08051	13.4
147.11725	2.9
149.05984	2.8
149.09579	4.7
151.07523	4.0
151.11212	2.7
153.09166	2.1
157.10130	5.3
159.08125	4.1
159.11723	6.4
161.09622	13.7
161.13268	2.4
163.03918	39.4
163.07570	2.7
163.11188	29.7
164.04262	21.8
165.09119	7.2
166.08662	2.4
168.06602	4.1
169.09891	2.6
171.08104	2.7
173.13116	2.9
175.11140	2.8
177.05510	13.1
177.09123	4.9
177.12689	2.0
178.05882	9.4
179.10588	7.2
181.12241	33.2
185.13335	3.7
187.11174	4.5
189.09267	4.4
191.07092	2.6
191.14307	2.3
195.01160	2.4
195.02917	2.2
201.12448	2.3
203.14308	8.4
205.12285	8.0
207.10188	17.6
215.14163	3.2
217.15932	2.1
221.15355	2.9
227.14275	2.6
233.15408	3.6
235.16997	2.2
237.09000	2.1
245.15422	14.9
263.16452	39.0
265.08768	5.0
280.11816	2.5
281.12527	4.6
281.17474	100.0
293.08417	2.4
370.53403	1.8
443.21347	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86724	2.3
53.03939	5.9
55.01876	7.1
55.05263	3.2
55.05513	39.8
56.05031	4.0
57.03429	10.6
59.04999	10.0
60.08178	3.7
61.02926	11.7
64.61412	2.6
65.03932	3.2
67.05506	11.7
69.03433	41.4
69.07066	7.5
69.93542	8.8
69.93960	4.9
70.06594	36.5
71.04982	8.3
72.08167	23.3
73.02929	6.7
79.05496	13.9
81.03420	21.0
81.07062	21.2
83.04983	53.4
84.04502	5.4
84.08154	13.8
85.02908	86.2
85.06531	10.1
86.09711	11.9
87.04478	6.9
89.03912	3.4
91.03941	3.9
91.05480	24.0
93.07066	20.6
94.06573	3.1
95.04975	21.0
95.08607	8.0
96.27907	2.7
97.02898	29.4
97.06522	4.0
98.06021	6.3
98.09716	5.2
99.04456	5.2
100.07637	4.1
101.06021	29.9
104.10739	15.1
105.07026	23.4
107.04948	6.1
107.08617	21.6
109.02881	13.1
109.06530	11.3
109.10149	9.4
110.07201	3.6
111.04444	6.9
115.03917	3.2
115.05449	3.2
116.07100	21.2
117.03405	5.1
117.07017	10.7
118.08664	12.5
119.04932	7.7
119.08529	23.9
120.08163	4.3
121.06594	12.2
121.07288	2.4
121.10151	20.3
123.04431	5.0
123.08080	7.9
124.03899	3.8
124.07646	3.2
125.05990	7.8
125.09647	3.0
127.03917	22.0
128.06221	3.3
129.06987	3.6
129.10136	2.6
130.05020	3.4
131.04938	3.8
131.08546	9.4
133.06490	3.6
133.10136	17.0
135.04436	8.3
135.08075	13.5
135.11687	6.5
136.04819	3.7
136.07614	4.9
137.06001	8.4
137.09618	9.0
138.05531	6.2
141.06985	3.1
142.07794	3.1
143.08578	8.8
145.02863	13.6
145.04932	10.8
145.06448	6.4
145.10101	24.1
146.03200	9.7
147.04396	9.3
147.08025	34.3
147.09084	4.0
147.11720	3.7
149.09636	5.0
151.07550	4.2
152.07039	2.9
157.10120	9.5
159.08058	17.4
159.11714	11.0
161.05965	2.8
161.09627	16.8
161.13322	4.4
163.03922	43.7
163.11179	100.0
164.04242	21.6
164.07108	4.2
165.09145	6.5
166.05040	3.4
170.10924	3.1
171.07985	3.5
171.11653	5.2
171.31303	2.8
173.09570	3.6
173.13231	3.4
175.11229	2.7
175.14851	2.7
177.05522	14.1
177.09084	19.4
178.05873	12.7
179.08585	3.0
179.10698	5.5
181.08669	2.7
181.12247	39.8
185.09680	3.0
185.13272	9.4
187.11099	6.9
188.98688	2.5
189.05313	3.2
189.09117	11.8
191.07095	3.1
194.11014	3.5
195.02892	6.4
199.14822	3.6
203.14288	15.7
205.12103	5.7
207.10213	19.1
212.12027	3.6
215.14079	3.4
219.08028	2.9
221.15573	3.4
223.13214	5.3
227.14331	8.6
233.15390	4.8
245.15404	23.7
263.14114	2.4
263.16437	66.9
265.08826	4.6
281.12277	4.8
281.17520	33.5
293.08026	4.0
316.13934	3.2
425.21805	5.8
443.15240	4.5
443.21387	62.7
444.10324	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	442.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94473	1.0
51.97199	1.0
53.03942	1.3
55.01876	5.6
57.03437	16.6
57.07084	1.4
59.05000	1.7
61.02926	14.3
69.03432	34.2
69.07059	2.3
69.33989	5.0
69.34413	4.6
70.06590	4.1
71.01350	3.9
71.05003	2.3
71.08633	1.6
72.08164	1.3
73.02917	59.8
79.05487	1.5
81.03420	7.2
81.07048	2.1
85.02907	100.0
87.04475	4.8
91.03970	3.3
91.05468	1.5
93.07036	2.1
95.08608	1.6
97.02895	57.7
99.04465	3.8
101.02365	1.1
103.03970	2.4
105.07044	1.5
107.08610	1.8
109.02891	9.0
115.03933	26.3
119.08585	2.2
120.08105	1.5
122.06025	1.2
127.03918	33.0
132.06535	1.6
133.04973	34.8
133.10149	1.5
137.93468	1.1
144.04448	1.8
145.04965	47.6
150.07608	1.6
163.06015	25.4
165.09154	1.9
168.76250	1.0
172.04012	3.4
193.04980	1.3
199.06056	1.6
204.06543	5.5
217.07251	1.3
223.06033	6.9
241.07112	8.0
258.75272	1.1
259.08185	6.9
277.09381	1.2
295.10049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29659	0.6
54.03469	3.3
55.04242	3.4
61.02901	0.9
69.03429	2.6
69.37124	3.0
69.37563	2.6
70.06595	4.4
72.08144	2.2
73.02926	1.0
79.47679	0.6
80.05024	1.1
81.03448	1.1
81.04089	1.3
81.04544	20.5
82.05328	7.9
82.06575	1.1
84.08133	0.9
85.02898	4.1
89.10759	1.0
97.02901	2.4
99.04456	0.8
100.07620	0.7
102.96663	0.7
103.03929	0.8
108.05592	1.2
110.07169	1.2
121.06553	1.3
122.07157	100.0
123.07941	94.4
127.03889	1.8
128.07085	5.7
129.07405	2.6
136.06183	1.0
144.04756	1.3
145.05011	0.9
160.04291	2.5
165.07736	4.3
168.15669	0.7
172.04321	1.3
177.06613	3.8
195.07654	1.0
219.15038	0.8
265.08698	0.7
277.80914	0.7
281.10690	56.8
282.10974	2.0
323.11768	1.1
443.11453	3.5
443.16000	72.6
444.16360	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66434	0.4
53.03954	0.4
58.06595	1.6
59.07364	1.1
60.07886	0.6
60.08168	10.3
61.71583	0.4
64.31589	0.4
67.09693	0.4
69.03421	1.6
70.06583	0.8
71.06767	1.0
72.08150	2.2
73.02923	2.6
81.03413	2.6
85.02901	2.5
87.04433	0.5
89.03909	2.0
99.04455	0.8
100.07628	0.9
103.04007	0.4
104.10750	31.1
109.02879	1.4
117.03391	7.8
118.08679	3.0
127.03914	0.6
129.63036	0.4
134.03630	1.7
135.04410	1.5
145.02852	26.2
147.04456	0.6
149.06032	2.5
162.03110	0.4
163.03911	10.5
177.05479	37.5
178.05846	0.5
213.71123	0.4
221.08179	0.5
233.75119	0.5
248.14966	0.5
254.14719	0.4
280.11804	1.4
321.09738	1.4
427.18338	1.8
442.20728	100.0
443.21017	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	442.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94473	1.0
51.97199	1.0
53.03942	1.3
55.01876	5.6
57.03437	16.6
57.07084	1.4
59.05000	1.7
61.02926	14.3
69.03432	34.2
69.07059	2.3
69.33989	5.0
69.34413	4.6
70.06590	4.1
71.01350	3.9
71.05003	2.3
71.08633	1.6
72.08164	1.3
73.02917	59.8
79.05487	1.5
81.03420	7.2
81.07048	2.1
85.02907	100.0
87.04475	4.8
91.03970	3.3
91.05468	1.5
93.07036	2.1
95.08608	1.6
97.02895	57.7
99.04465	3.8
101.02365	1.1
103.03970	2.4
105.07044	1.5
107.08610	1.8
109.02891	9.0
115.03933	26.3
119.08585	2.2
120.08105	1.5
122.06025	1.2
127.03918	33.0
132.06535	1.6
133.04973	34.8
133.10149	1.5
137.93468	1.1
144.04448	1.8
145.04965	47.6
150.07608	1.6
163.06015	25.4
165.09154	1.9
168.76250	1.0
172.04012	3.4
193.04980	1.3
199.06056	1.6
204.06543	5.5
217.07251	1.3
223.06033	6.9
241.07112	8.0
258.75272	1.1
259.08185	6.9
277.09381	1.2
295.10049	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.4
55.05513	1.3
58.99584	7.1
65.41560	1.1
66.56336	1.2
67.05497	4.5
69.03432	3.4
69.90131	5.1
70.06599	11.2
72.08157	3.4
76.02226	2.0
79.05486	1.6
84.08144	3.8
85.02915	2.1
86.09695	3.0
86.99050	6.4
88.03977	2.5
91.05447	2.6
93.07063	1.3
94.06577	8.8
95.04979	1.8
96.04504	7.1
96.08131	9.2
97.02849	1.4
98.06051	3.7
100.01569	2.6
100.02211	44.0
100.02861	2.7
100.07633	5.6
102.00147	1.3
104.10748	4.0
105.00096	13.4
108.08165	1.3
110.09747	1.3
111.02686	1.5
113.04240	2.3
116.07154	1.4
116.98143	1.4
118.08649	3.5
119.05030	1.3
119.46608	1.4
120.01151	2.9
122.06044	27.0
124.07603	23.0
124.82829	1.4
126.03668	1.4
126.26566	1.1
135.04353	1.7
136.07585	32.0
137.05988	1.4
138.05516	3.2
138.09131	11.2
139.08661	3.5
140.07045	3.9
145.02835	3.3
146.02718	100.0
147.03227	1.1
147.04442	5.0
150.05534	2.6
154.03244	16.1
156.04774	4.8
162.05583	1.4
163.03928	9.4
164.05678	2.4
164.07077	45.2
166.05023	2.6
169.13364	2.0
171.08115	1.3
172.11208	1.6
174.09196	1.7
177.05501	2.0
180.04813	4.2
181.06465	1.3
182.08127	25.4
188.10753	3.5
189.10320	1.5
190.08633	1.3
195.02965	2.0
197.07423	2.0
197.12936	1.7
198.09143	4.8
212.10661	5.3
215.11818	3.0
216.10193	2.7
218.08191	1.6
229.13223	1.7
230.11848	2.3
234.11279	3.4
240.10196	1.7
243.08009	86.0
243.11261	15.8
257.12863	9.8
258.11295	9.5
262.12915	1.8
276.12354	1.9
280.11768	2.7
280.14679	1.2
285.12335	21.5
286.10767	5.1
303.13425	40.8
304.11746	31.2
321.14346	1.9
378.14798	5.0
424.15442	32.0
442.15591	9.5
442.20813	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	441.3729
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03952	1.6
55.05304	1.4
55.05514	15.4
57.07080	8.1
57.07294	1.5
65.03936	2.7
67.05176	1.9
67.05508	31.0
69.03417	3.0
69.07076	27.4
69.30671	13.7
70.06580	7.6
71.04991	2.8
71.06944	1.6
72.08128	2.0
79.05492	14.6
81.03413	1.8
81.07062	61.9
83.04991	7.9
83.08623	15.2
85.06545	3.3
87.32438	1.4
91.05480	12.5
93.07050	37.1
94.07335	1.4
95.04967	3.5
95.08614	100.0
96.08084	1.3
97.02882	3.3
97.06534	3.3
97.10168	6.1
98.06054	2.1
99.08092	3.2
100.07610	2.0
103.05453	1.6
105.07034	36.2
107.04918	2.1
107.07860	2.7
107.08598	50.1
108.08926	1.6
109.06493	2.8
109.10164	52.1
109.10915	2.6
111.08064	3.3
111.11739	2.7
114.05470	1.5
117.07005	4.7
119.08590	40.3
121.06446	2.6
121.09318	3.0
121.10150	42.5
122.02734	1.9
123.08087	3.0
123.11713	27.8
125.09626	4.6
126.09147	1.6
128.06190	1.5
128.07071	3.1
129.07031	3.7
130.07668	1.4
131.08594	9.3
133.06476	2.1
133.10144	32.9
135.07986	1.6
135.11705	34.2
137.09601	4.7
137.12294	2.5
137.13263	26.5
139.11130	2.1
141.06956	1.7
141.09081	2.4
142.07738	1.6
143.08534	6.1
144.06566	1.7
145.06480	2.0
145.10133	18.8
146.10464	1.7
147.08043	1.6
147.11687	23.3
149.09631	2.8
149.13275	28.2
151.07545	2.9
151.11148	5.1
151.14760	2.2
153.05464	2.2
154.08615	4.9
155.08951	1.6
156.09235	2.0
157.10115	5.8
159.11697	20.0
161.13263	17.8
163.11159	2.6
163.14847	10.2
165.09129	5.3
165.12756	1.9
165.78584	1.4
169.10135	3.0
171.11679	4.7
173.13266	15.3
175.14848	10.6
177.12788	1.6
177.16394	19.1
179.14349	3.0
179.18034	1.7
183.11649	2.6
185.13300	6.8
187.14786	9.7
189.16402	15.2
191.14258	2.5
191.17958	30.3
193.08528	2.0
197.13293	2.4
199.14902	2.1
201.16435	9.4
203.17958	20.6
205.15854	3.4
205.19527	9.9
207.17464	5.3
211.14862	2.1
213.16383	6.4
215.14175	1.7
215.17963	13.0
217.15903	3.0
217.19502	8.4
219.17484	9.3
219.21033	1.9
227.17975	6.1
229.19495	3.9
231.17422	3.9
231.21066	4.3
233.19002	5.1
243.21068	3.2
245.19003	3.9
245.22675	5.0
253.19481	1.8
255.20850	2.3
257.22720	3.2
263.20035	3.1
269.22916	1.7
270.18967	1.7
273.22171	3.7
291.23306	2.0
299.23755	1.9
303.23087	2.6
313.28772	2.6
325.28812	2.4
341.28464	1.6
395.36685	11.7
397.29318	2.9
405.35095	5.2
423.36209	29.6
441.28424	10.4
441.37311	40.5
442.37137	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.1
53.21915	2.0
55.01873	3.5
55.05513	54.5
57.03440	19.3
57.07078	51.2
59.05020	2.6
67.05506	31.2
69.07071	81.4
70.72880	4.9
71.05002	3.1
71.08635	37.2
73.22416	1.8
73.53706	1.8
76.71056	1.8
79.05489	14.4
81.07060	54.6
81.07520	3.4
83.05017	4.2
83.08624	42.8
84.53556	1.9
85.06580	2.9
85.10184	20.3
89.13586	1.9
90.24488	2.8
91.05507	8.2
93.07047	32.5
95.08607	63.9
96.17110	2.0
97.06555	8.9
97.10168	31.6
101.06048	2.5
105.07038	14.7
107.08594	35.3
109.06531	2.5
109.10159	45.9
111.04487	2.6
111.08110	7.1
111.11724	12.1
115.07591	2.7
117.07053	2.1
118.88909	2.1
119.08591	23.7
121.10164	31.5
123.08069	2.7
123.11703	21.1
125.09665	6.4
125.13269	2.3
130.89082	1.9
131.08595	4.9
133.10161	16.1
135.11696	19.7
137.09698	3.1
137.13283	10.0
138.63934	2.0
139.11226	7.1
143.08580	2.6
143.10706	2.2
145.10204	9.4
147.11697	10.9
149.09668	3.1
149.13283	16.9
151.11259	3.1
153.12755	4.4
157.10176	4.5
158.53900	2.5
159.11743	8.3
161.13330	8.9
163.14781	11.0
167.14436	4.7
171.11711	4.6
173.13354	7.1
175.14931	8.9
177.12883	2.8
177.16391	10.9
181.15968	2.8
185.13498	3.4
187.14838	4.5
189.12906	2.5
189.16466	6.6
191.18004	10.5
201.16495	6.1
203.18066	6.5
205.15878	2.6
205.19638	7.2
215.18050	2.8
217.19647	6.9
221.15485	2.2
231.17651	3.2
231.21109	3.3
235.17148	3.9
239.17982	2.9
241.19748	2.6
245.22690	2.6
295.24527	2.2
331.33987	4.5
349.34732	14.2
405.35214	14.8
423.37836	17.3
441.31949	3.9
441.39401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
50.58801	1.2
53.03942	3.7
55.01871	2.8
55.05515	18.8
57.03425	3.5
57.07075	8.3
59.05002	2.4
62.60271	1.4
65.03928	3.3
67.05173	2.3
67.05509	31.4
69.03430	16.6
69.06725	2.4
69.07072	34.9
70.06595	13.3
71.04978	4.9
71.08624	1.6
71.55235	2.8
72.08158	3.5
73.02916	3.0
79.05497	21.0
81.03428	13.2
81.07062	73.9
83.04982	6.5
83.08630	16.7
84.08125	3.6
85.02905	14.9
85.06533	3.0
87.00811	2.6
91.05482	20.2
93.06472	2.8
93.07047	41.9
95.04977	7.3
95.08611	94.9
97.02892	14.1
97.06522	5.5
97.10186	8.1
99.04429	2.7
99.08072	2.8
105.07034	37.0
107.04947	2.7
107.08603	61.9
108.08923	1.6
109.02885	11.9
109.06512	6.6
109.10162	75.5
110.10472	3.0
111.08088	9.4
111.11729	1.9
114.53019	1.3
115.03926	3.6
117.07008	6.1
119.08585	48.5
121.06479	3.0
121.10152	53.7
121.11030	2.6
123.08055	6.2
123.11711	28.0
125.09625	6.0
127.03952	11.7
128.06166	1.8
128.07053	2.1
131.08554	11.0
133.10141	41.9
135.07996	2.5
135.11703	44.0
137.09622	100.0
137.13252	28.0
138.09900	2.9
139.11168	3.3
141.09157	3.3
143.08521	4.9
144.09311	2.1
145.04945	2.8
145.10130	20.4
147.04382	2.0
147.08061	2.5
147.11696	29.5
149.09563	4.3
149.13261	26.2
151.07567	2.8
151.11179	5.2
151.14845	3.2
153.05522	1.9
157.10136	8.4
159.08080	2.1
159.11703	26.0
161.09583	1.9
161.13271	22.6
163.11172	6.3
163.14827	10.5
165.09174	7.9
165.12735	3.2
169.10083	2.1
171.11699	6.6
173.09590	1.9
173.13284	15.0
175.11188	2.2
175.14836	29.6
176.15208	1.6
177.12767	3.6
177.16406	19.4
179.14255	2.7
183.11754	1.8
185.13242	4.9
187.11121	1.6
187.14836	10.3
189.16377	18.9
191.17960	34.0
193.15887	81.6
194.16217	4.2
195.17532	1.7
197.13278	1.8
199.14795	5.3
201.16397	15.7
203.17963	23.8
205.15936	3.0
205.19484	10.5
207.17432	8.5
213.16373	4.4
215.14287	1.6
215.17999	10.5
217.15816	2.0
217.19513	7.4
219.17458	8.7
219.21048	2.4
227.17940	5.0
229.19513	4.1
231.05023	5.2
231.17439	5.0
231.21042	4.7
233.19023	8.2
239.17865	2.5
241.19444	2.7
243.21068	4.6
245.18864	3.5
245.22661	3.2
255.21065	2.2
255.85257	1.4
263.20120	3.6
269.22708	1.6
273.22220	2.5
274.12836	1.7
277.21619	1.9
289.21698	2.0
291.23151	2.8
303.22968	1.6
311.27255	2.1
313.28906	1.8
317.24799	2.2
325.28857	2.0
329.28281	1.7
353.32007	2.0
395.36664	12.0
405.35184	6.4
423.36227	36.5
441.21515	9.6
441.27167	2.6
441.29987	2.2
441.37317	44.7
442.37555	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	441.373
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05514	37.7
55.07705	3.2
57.07074	9.2
67.05509	27.7
69.06737	3.2
69.07072	46.8
69.61049	3.8
71.55225	4.4
79.05479	10.1
81.07056	48.0
83.08620	22.4
88.57528	3.6
91.05473	9.0
92.72948	3.6
93.07055	33.8
95.08612	100.0
97.10186	23.7
98.72014	3.4
102.45419	3.1
105.07027	21.4
107.08598	62.1
109.06546	4.3
109.09462	6.6
109.10157	87.8
111.11720	10.9
113.74850	3.8
119.08564	27.9
121.10149	45.1
123.11688	25.5
133.10123	23.2
135.07977	3.6
135.11671	27.3
137.13245	21.6
142.29126	3.7
147.11655	22.7
149.13263	24.7
153.09099	9.9
159.11789	3.8
161.09584	4.1
161.13252	15.9
163.14798	10.2
167.10730	11.0
173.13228	4.8
175.14825	12.5
177.16422	4.3
179.10689	5.8
181.12271	8.9
189.12752	6.5
189.16409	7.5
189.64813	4.1
191.17949	9.2
195.13925	3.4
203.17926	7.8
205.19525	41.0
207.13675	5.2
209.15384	4.3
217.19545	11.8
223.16908	11.4
229.19553	3.9
231.21065	12.2
245.22615	21.3
249.18515	7.9
257.22635	4.8
259.24338	3.9
307.53699	3.5
317.24731	4.8
371.29590	4.8
441.37296	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03948	3.5
55.05513	17.0
57.03437	3.4
57.07069	8.2
67.05507	25.2
69.03420	5.4
69.07073	25.2
70.06592	5.0
71.08630	2.9
71.35329	3.3
72.08150	2.6
79.05489	16.2
81.07059	65.1
82.07372	2.4
83.04998	3.5
83.08614	10.4
84.08164	2.2
85.02888	2.1
85.06540	4.0
91.05494	18.1
92.05865	1.9
93.07049	36.9
95.04972	6.0
95.08613	100.0
97.02876	3.8
97.06538	8.7
97.10170	6.2
99.08074	2.1
105.07037	38.5
107.08600	59.7
109.06532	3.1
109.10159	59.8
110.10553	2.8
111.08089	6.4
117.07005	7.0
119.07798	3.3
119.08587	39.9
119.87403	1.8
120.08115	2.1
121.06534	3.0
121.10156	48.0
121.11019	2.8
122.07312	1.9
123.08094	4.1
123.11710	31.8
125.09665	6.2
127.11222	2.5
131.08566	14.7
133.10139	32.9
135.08083	3.6
135.11691	34.0
137.09624	10.1
137.13258	24.9
139.11172	2.7
143.08562	7.2
145.06529	2.0
145.10136	23.2
147.08090	2.0
147.11703	20.8
149.09604	5.0
149.13255	19.8
151.11102	2.9
151.14862	2.5
155.07108	2.1
157.10162	8.6
159.11722	32.3
161.13263	19.8
162.21526	1.8
163.11153	2.3
163.14828	12.1
165.09122	26.5
165.12665	3.3
167.07095	2.3
169.10088	3.8
171.11646	4.9
171.58990	2.0
173.13248	13.3
174.11720	1.7
175.14839	18.4
177.09233	2.2
177.12776	2.7
177.16414	19.0
179.14307	3.3
183.11647	2.6
185.13278	6.7
187.14793	9.4
189.12805	2.2
189.16415	12.0
191.14249	2.9
191.17955	35.4
193.15860	2.6
199.14844	3.8
201.16360	11.4
203.17929	13.8
205.12219	3.0
205.15903	3.6
205.19534	9.1
207.17535	4.1
211.14963	2.2
213.16374	6.5
215.17993	22.1
217.19516	10.4
219.17488	9.2
219.21056	2.5
223.16853	2.1
227.17868	3.9
229.19434	3.4
231.17519	3.4
231.21153	5.1
233.19051	13.8
234.16008	2.0
237.18649	2.6
241.19586	2.4
243.20988	3.3
245.19086	3.3
245.22685	3.2
251.19998	3.1
255.21194	3.6
257.22507	2.6
263.20068	3.9
271.20255	1.8
285.22095	2.6
291.23181	3.7
296.27756	1.9
378.42844	2.0
405.35168	3.5
423.36374	24.0
424.36874	2.3
441.27060	5.4
441.37427	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	441.3727
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03930	2.1
55.05519	13.4
57.03419	2.1
57.07063	5.7
59.04973	1.9
65.03937	2.3
67.05502	29.7
69.03442	4.0
69.06714	2.6
69.07070	25.7
70.06595	2.2
71.04996	4.0
71.36160	2.0
79.05493	20.6
81.03413	2.9
81.07056	67.6
83.04984	5.3
83.08621	14.8
85.02895	4.3
91.05479	13.7
93.07049	36.7
95.04980	4.6
95.08608	100.0
97.02891	5.0
97.06534	7.0
97.10159	7.3
99.04415	1.9
99.08128	1.9
105.06385	2.8
105.07037	33.2
107.08601	50.3
108.08877	2.5
109.06541	4.4
109.09462	3.7
109.10157	54.8
110.10527	1.8
111.08083	6.9
115.05461	2.0
117.07031	5.7
119.08585	45.5
121.06612	2.0
121.10152	45.3
122.10448	2.2
123.08060	3.7
123.11703	25.3
125.09627	4.1
129.06985	2.6
131.08583	14.0
133.10139	25.0
135.08089	2.6
135.11697	31.9
137.09634	5.3
137.13261	29.1
143.08588	3.8
144.09375	2.8
145.10124	22.6
147.08107	2.2
147.11671	22.0
149.09607	3.8
149.13280	20.5
151.07582	2.6
151.11159	3.3
151.14830	3.0
153.05435	5.4
157.10182	6.5
159.11670	28.8
161.13249	20.7
163.11136	2.1
163.14824	10.6
165.09117	9.7
167.07257	2.2
169.10258	2.7
171.11688	6.4
173.13266	15.4
175.14848	19.0
177.12842	3.0
177.16388	16.9
179.14398	3.2
185.13245	4.6
187.14786	10.3
189.16385	14.9
191.17957	32.0
197.13177	2.0
199.14879	4.4
201.16405	10.7
203.17963	14.9
205.15923	5.7
205.19537	10.0
207.17429	4.4
213.16336	1.9
215.17981	17.2
217.19537	9.0
219.17386	8.8
219.21033	2.3
223.16995	1.8
227.17989	3.6
229.19429	3.3
231.17436	2.8
233.19022	16.8
235.16959	2.3
243.21106	3.0
245.18947	5.0
245.22682	5.1
251.20094	4.5
255.21176	3.5
261.18176	1.8
263.20035	4.6
273.22070	3.2
275.08951	2.0
285.22128	2.7
291.23318	4.0
299.23877	2.6
313.28790	5.3
317.24606	2.7
349.90146	2.2
395.36685	3.4
405.35315	3.0
423.36316	19.7
441.27411	2.3
441.37289	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.70808	1.2
55.01863	2.0
55.05508	15.0
57.07079	7.2
59.04997	1.9
65.03918	3.1
67.05170	2.2
67.05504	26.7
69.03430	4.5
69.06723	2.1
69.07072	30.0
69.17870	1.4
69.30543	7.3
69.30964	6.0
70.06585	6.8
71.04976	2.0
71.08624	1.3
72.08161	2.8
79.05494	18.8
79.70751	1.4
81.03443	2.3
81.07060	63.5
83.04974	5.8
83.08617	11.0
84.08152	2.2
85.02899	1.9
85.06527	3.1
88.04003	1.4
91.05488	18.0
93.07046	39.2
95.04967	4.2
95.08607	100.0
96.08950	2.4
97.02882	2.2
97.06539	5.1
97.10175	8.3
98.06045	1.4
99.08095	2.8
100.07590	1.9
103.05423	1.6
105.06395	1.1
105.07033	31.5
107.08601	46.4
108.08968	1.8
109.02860	1.6
109.06509	4.4
109.10157	60.9
111.08060	5.7
111.11752	1.6
112.81057	1.4
117.07012	4.4
119.08578	39.5
120.08916	1.6
121.06499	3.0
121.10147	48.7
122.10461	2.4
123.08093	4.4
123.11717	26.8
125.09641	4.8
128.06213	1.5
128.07101	4.4
129.07062	1.7
131.08553	12.0
133.10130	34.7
135.08031	1.9
135.11699	36.1
137.09605	4.5
137.12294	2.7
137.13264	28.5
139.11176	2.1
141.09180	2.1
143.08604	8.6
144.06650	1.6
144.09360	1.7
145.06517	3.3
145.10143	18.2
147.08034	2.2
147.11705	29.5
149.09612	4.1
149.13249	24.8
151.07579	2.1
151.11128	3.9
153.05447	3.0
154.08611	5.7
155.09082	1.9
157.10152	7.8
158.10657	1.9
159.08118	1.8
159.11699	20.1
161.09641	1.8
161.13257	21.7
163.11206	4.8
163.14822	10.3
165.09154	5.7
165.12817	2.6
165.16440	1.5
169.10114	3.3
171.11708	7.1
173.13251	12.8
175.14844	14.0
177.12820	1.9
177.16374	17.6
179.14272	2.5
183.11676	3.1
185.13307	6.8
187.14848	9.4
189.16386	17.8
191.14293	2.8
191.17973	31.2
193.15828	3.3
193.19518	2.5
194.11847	1.7
195.11928	2.6
197.13245	2.1
199.14871	5.8
201.16380	12.1
203.14603	1.5
203.17950	23.1
205.15874	3.3
205.19463	13.2
207.13872	1.4
207.17485	4.4
211.14876	1.8
213.16464	3.2
215.18010	10.9
217.19467	8.7
219.17433	9.0
219.21071	2.1
221.18921	1.4
223.14954	2.1
225.16354	2.0
227.17993	4.9
229.19534	4.0
231.17517	4.2
231.21138	3.8
233.19090	5.8
239.18004	2.8
243.21034	2.0
245.19038	4.4
245.22552	2.4
255.21124	3.3
257.22653	2.5
259.20728	1.6
263.20078	2.1
269.22641	3.0
271.20786	1.8
271.24231	2.5
273.22244	4.1
285.22189	1.9
291.23288	2.6
303.23392	1.9
313.28973	2.3
317.24753	1.9
323.27335	2.2
325.29141	1.8
326.22708	1.5
353.32147	3.4
395.36804	14.7
405.35229	5.1
423.36234	37.7
441.28537	9.9
441.37314	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03939	4.6
55.01869	3.5
55.05509	15.3
57.03424	4.6
57.03683	1.3
57.07077	7.4
59.05021	1.7
61.02934	1.4
62.26160	1.2
65.03930	2.7
67.05507	31.3
69.03430	18.5
69.07068	38.3
69.43276	6.1
69.43697	3.9
70.06594	13.0
71.04985	5.1
71.08624	1.6
72.08157	3.1
73.02917	3.5
79.05494	20.2
81.03419	15.7
81.07058	67.4
83.04972	5.5
83.08627	13.1
84.08151	3.9
85.02909	16.0
85.06540	3.0
86.09717	1.9
87.00831	3.0
91.05477	18.8
93.07045	43.2
95.04968	6.7
95.08609	100.0
96.08960	1.6
97.02897	14.4
97.06519	5.8
97.10169	6.4
98.20696	2.6
99.04465	4.8
99.08092	5.5
105.07037	35.2
107.04925	1.3
107.07861	2.7
107.08595	60.4
109.02883	10.1
109.06515	8.9
109.10159	68.3
111.04464	3.0
111.08086	9.8
111.11716	1.6
113.09676	2.4
115.03918	2.0
115.05433	1.5
117.07021	7.4
119.08583	44.9
120.08987	1.4
121.06518	4.3
121.10145	46.4
123.04453	1.4
123.08075	8.0
123.11711	29.0
125.09652	5.4
127.03918	10.6
128.07050	1.7
129.05515	2.3
129.07021	3.0
130.08679	2.4
131.08568	12.5
133.10133	38.3
135.04562	1.6
135.08064	4.1
135.11702	40.4
137.05960	1.6
137.09615	78.1
137.13245	23.9
137.14227	1.7
139.11179	2.3
141.09126	3.1
142.07835	2.2
143.08562	4.9
145.04958	4.2
145.06477	2.9
145.10127	21.1
147.04393	2.0
147.08032	1.8
147.11697	30.2
149.09602	4.4
149.13255	24.6
151.07491	2.0
151.11177	4.6
151.14844	4.0
152.83490	1.3
153.05486	2.1
153.12720	1.4
155.08553	1.7
156.09319	1.8
157.10133	5.6
159.08025	1.9
159.11697	21.5
161.05989	1.8
161.09666	2.0
161.13271	18.5
163.11186	3.8
163.14847	9.6
165.09067	8.5
165.12726	3.4
165.16397	1.3
167.07079	3.0
169.10121	2.5
171.11699	5.8
173.13274	11.9
175.11176	2.1
175.14838	26.5
177.12694	3.9
177.16391	18.4
179.14331	1.4
179.17947	2.5
181.10092	1.6
183.08163	1.4
183.11661	2.1
185.13213	5.3
187.11197	1.5
187.14838	11.0
189.12770	1.9
189.16367	14.8
191.10793	1.4
191.14349	3.2
191.17944	33.6
193.05038	1.8
193.08609	2.7
193.15877	62.9
195.17467	2.3
197.13275	4.1
199.14813	4.3
201.16371	15.6
203.14330	1.6
203.17957	29.1
205.08745	1.4
205.12236	1.8
205.15915	4.7
205.19518	11.5
207.17484	6.7
211.14836	1.5
213.16426	2.7
215.14397	1.7
215.17961	12.8
217.15938	3.2
217.19545	7.9
219.17441	10.9
219.20978	2.3
221.18855	2.1
225.16441	2.3
227.17960	4.6
229.19504	3.6
231.05023	4.4
231.17506	3.5
231.21043	4.5
233.19058	5.7
239.17828	2.3
241.19586	2.6
243.21181	3.7
245.19032	4.7
245.22685	4.4
247.20811	1.6
251.25784	1.3
255.21053	2.0
257.22665	4.4
263.20200	2.8
269.22589	2.0
273.22113	3.3
274.13092	2.4
285.22156	3.0
291.20142	1.4
291.23184	4.6
295.72305	1.8
299.23581	2.0
303.23160	2.0
311.27261	2.1
317.25027	1.7
353.32175	3.6
395.36725	10.9
405.35165	7.2
423.30844	2.4
423.36252	31.8
424.36377	1.7
441.21033	6.9
441.26239	2.1
441.27350	2.9
441.37277	43.6
442.25455	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03942	2.2
55.01867	2.0
55.05514	13.2
57.07069	5.2
66.42074	1.7
67.05513	35.7
69.03428	2.5
69.07078	19.2
69.41344	1.8
70.73524	2.7
70.73836	2.2
71.05013	2.0
71.08607	2.0
79.05499	17.9
81.03460	2.1
81.07070	50.9
83.04978	2.2
83.08635	9.2
85.06535	2.5
91.05489	19.3
93.07051	43.9
95.04990	5.7
95.08616	100.0
95.95059	1.7
97.02923	2.2
97.06520	2.4
97.10178	5.2
105.07039	30.2
107.08604	63.1
109.06517	3.4
109.10161	57.0
111.08102	20.4
111.11730	2.6
112.81099	1.6
113.09686	2.1
116.07079	2.0
117.07009	4.7
119.08592	41.2
121.09314	3.5
121.10155	47.5
123.08066	2.5
123.11709	20.8
125.09615	3.9
129.07063	2.3
131.08586	12.0
133.10133	35.8
135.11714	33.4
137.09639	4.4
137.13263	9.4
139.11166	10.8
143.08575	6.0
145.10132	19.5
147.11697	27.9
149.13275	28.1
151.11185	2.8
153.05499	2.3
153.12801	2.6
157.10156	6.9
159.11710	18.5
161.13257	27.3
163.11229	2.5
163.14844	21.1
165.09143	9.4
165.12788	5.5
171.11717	5.7
173.13255	14.8
175.14847	22.8
177.09132	1.9
177.16422	17.4
179.08650	1.9
179.14345	2.6
185.13324	4.7
187.14871	12.6
189.16367	15.1
191.14369	2.4
191.17984	10.3
193.15916	3.9
195.17502	8.6
197.13245	1.8
199.14871	3.6
201.16386	15.7
203.17996	26.7
205.15889	5.0
205.19418	2.3
207.17461	8.4
213.16377	4.3
215.18004	14.5
217.15991	2.1
217.19524	12.2
219.17490	8.2
221.19040	8.2
227.17975	7.7
229.19556	20.7
231.20918	1.9
233.18953	9.0
235.20540	2.2
241.19519	3.2
241.68781	1.6
243.21101	2.6
245.19092	6.2
247.20662	11.2
255.21005	4.8
257.22702	6.1
259.20624	3.5
261.22128	4.0
267.21234	2.2
269.22778	5.8
271.24289	3.8
273.22229	3.4
275.23737	6.1
283.24274	4.3
287.23660	5.3
301.25168	3.6
329.28122	2.1
345.56305	1.8
349.21701	3.8
369.31409	2.6
383.33099	3.0
405.35242	4.9
411.35956	4.3
423.36243	45.1
441.26880	11.9
441.37421	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
50.16766	1.3
53.03941	2.3
55.05514	15.3
57.03413	2.1
57.07079	9.8
57.28614	1.4
59.04995	1.5
67.05173	2.2
67.05506	25.0
69.03429	2.9
69.07073	33.2
70.06584	5.2
71.04987	3.7
71.08617	1.5
72.08186	1.7
79.05496	15.9
81.03389	1.7
81.07064	63.8
83.04966	4.8
83.08623	13.8
84.08172	1.4
85.02905	3.8
85.06557	2.8
91.05486	16.9
93.07053	38.6
95.04952	4.3
95.08614	100.0
97.02891	2.9
97.06528	5.0
97.10180	6.8
98.02735	1.3
99.08094	2.2
105.07047	30.0
107.04966	2.0
107.08604	54.2
109.06506	2.9
109.10165	66.1
110.10430	1.5
111.04344	1.3
111.08085	5.8
111.11713	4.5
115.03936	2.0
116.97086	1.3
117.07002	4.1
119.08595	38.8
121.06479	3.0
121.09317	2.8
121.10155	46.3
123.04440	1.5
123.08041	3.8
123.11724	28.6
124.09466	1.6
125.09628	4.2
129.07013	2.1
131.07671	2.2
131.08554	10.4
133.10143	32.7
135.08066	2.6
135.11702	33.2
137.09644	7.3
137.13258	26.6
139.11230	2.0
141.09099	1.4
142.38271	1.5
143.08575	4.2
145.10146	15.7
147.11700	28.9
149.09631	3.9
149.13274	27.4
151.07491	2.0
151.11182	3.1
151.14815	5.1
153.05484	2.5
157.10104	6.9
159.11708	22.1
161.09634	2.1
161.13272	22.9
163.11182	4.6
163.14772	8.4
165.09145	13.3
166.09325	1.5
167.61003	1.6
169.10141	2.6
171.08119	1.9
171.11676	5.2
172.12506	2.0
173.13269	15.7
175.14832	17.8
177.05359	1.4
177.12772	2.6
177.16391	19.1
179.14325	1.6
183.11810	1.7
185.13235	4.9
187.14850	9.2
189.12732	2.5
189.16408	15.4
191.14284	2.0
191.17960	28.6
197.13181	2.2
199.14839	4.7
201.16394	10.3
203.17963	20.9
205.15874	3.3
205.19542	9.0
207.17488	6.9
211.14850	2.0
213.16374	5.6
215.17921	12.3
217.15961	3.7
217.19511	9.1
219.17506	9.0
219.21120	2.6
221.19096	2.0
227.17929	3.3
229.15977	1.8
229.19568	4.3
231.17422	4.0
231.21049	4.2
233.19016	7.0
235.17012	1.9
241.19545	2.7
243.21155	3.1
245.19043	5.2
245.22745	5.3
249.18480	1.9
255.21143	4.2
257.22650	1.8
263.20032	3.1
269.22595	1.8
271.20496	1.9
271.24197	3.0
273.22055	4.0
281.22607	1.5
285.22070	2.8
289.21857	2.0
291.23154	3.4
294.02100	1.4
303.23096	3.8
311.27374	1.9
313.28955	2.8
317.24634	2.1
339.10965	1.6
353.31781	1.9
395.36578	5.1
405.35168	6.2
423.36288	25.9
441.27194	2.9
441.37384	46.4
442.37366	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	441.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.05513	22.7
57.07067	8.9
67.05511	35.2
69.07074	40.2
71.29617	2.8
79.05492	22.4
81.06581	4.3
81.07062	88.2
83.08620	17.1
91.05485	11.8
93.07047	37.2
95.04991	2.6
95.08614	100.0
97.06528	5.6
97.10185	15.3
105.07045	27.1
107.08600	68.3
108.08900	2.4
109.10166	87.2
111.11721	4.6
115.07549	2.4
116.90708	2.1
117.07031	2.1
119.08602	32.9
121.06499	2.7
121.10156	48.8
123.08098	4.6
123.11723	32.5
131.08604	4.7
133.10130	26.0
135.08041	7.5
135.11700	32.8
137.09628	8.2
137.13268	14.3
139.07576	6.0
143.10635	5.5
145.10132	5.8
147.11710	25.3
149.09663	8.1
149.13266	22.9
153.09140	6.9
159.11751	6.9
161.09642	3.0
161.13297	16.5
163.07562	8.6
163.11154	2.4
163.14856	10.7
165.09123	62.5
167.10710	6.9
173.13257	4.8
175.14819	12.6
177.12741	3.0
177.16386	6.0
179.10687	2.5
181.08604	5.0
181.12274	4.9
187.14909	4.5
189.12689	2.6
189.16400	12.6
191.17908	11.3
195.13943	5.3
201.16376	4.5
203.17973	22.7
205.12306	8.7
205.19553	27.1
209.15361	5.0
215.18016	3.1
217.19533	24.8
219.13844	2.9
219.21172	2.7
223.16972	5.4
229.19441	3.2
231.21147	7.1
235.16808	3.1
237.18561	3.0
241.19662	2.4
245.22682	15.3
249.18510	4.2
257.19028	2.7
263.20261	3.2
265.80032	2.2
299.27390	3.8
303.23282	3.1
313.28912	3.1
423.36133	9.0
437.04443	2.4
441.37595	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	441.3732
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
53.03936	1.7
55.05511	15.6
57.07072	4.3
65.03947	2.2
67.05168	2.4
67.05509	28.1
69.03465	1.3
69.07076	18.9
70.72966	2.1
70.73271	2.0
71.08624	2.2
79.05496	21.0
81.07063	64.3
82.26646	1.2
83.04977	1.5
83.08613	10.7
85.06544	1.3
91.05481	20.5
93.07049	48.1
95.04953	2.0
95.08612	100.0
96.08947	1.4
97.06536	2.0
97.10149	7.5
99.08061	1.3
103.05447	1.3
105.07033	40.9
107.08602	57.0
109.06541	2.6
109.10165	59.4
111.08098	4.1
111.11736	1.4
113.09652	1.5
117.07008	7.4
119.08583	47.8
121.10150	48.8
123.08034	2.1
123.11720	25.2
125.09614	2.3
129.07021	1.8
131.08588	16.7
133.10138	32.8
135.11703	37.5
137.13257	15.2
142.07819	2.6
143.08574	4.3
144.09315	1.7
145.10132	24.5
147.11688	35.6
149.13263	30.5
151.14894	2.3
157.10182	5.5
158.10909	1.9
159.11711	24.2
161.13272	32.1
163.11258	2.1
163.14828	19.6
165.12769	6.0
169.10208	1.4
171.11746	4.5
173.13280	16.1
175.14839	23.3
177.12761	2.7
177.16426	14.3
178.35495	1.3
179.14255	7.8
179.17828	1.6
183.11656	2.4
185.13295	4.5
187.14850	14.8
189.16411	19.3
191.14354	2.5
191.17955	45.8
193.15837	6.8
193.19623	2.4
199.14847	4.3
201.16377	13.6
203.17993	31.3
205.15958	3.7
205.19548	17.8
207.17455	4.8
213.16434	5.8
215.17976	16.4
217.15971	3.2
217.19524	21.2
219.17477	7.7
219.21111	3.7
221.18968	3.1
223.16946	2.9
225.16344	1.3
227.17952	2.9
229.19528	9.0
231.17451	3.1
231.21068	4.4
233.18997	14.0
237.18619	1.8
241.19669	1.9
243.21130	3.8
245.18977	2.7
245.22617	7.3
247.20543	3.8
249.18565	5.8
251.20142	5.4
255.21078	1.7
257.22723	4.2
263.20078	2.2
269.22629	1.8
271.24298	2.0
283.24283	2.0
301.25287	1.9
303.23340	1.7
313.25082	2.2
395.36734	1.5
405.35165	5.5
411.36343	2.8
413.09464	1.6
423.30817	1.7
423.36243	26.2
441.37320	44.6
442.37598	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
55.05511	28.1
56.64494	2.3
57.07066	9.3
66.21049	2.5
67.05511	32.6
69.07076	34.9
71.29404	4.5
79.05503	12.6
81.07065	61.4
81.26324	2.9
83.08617	18.6
91.05480	12.0
92.53148	2.6
93.07037	40.0
95.08616	100.0
97.06487	4.2
97.10184	22.1
98.21181	3.9
105.07056	22.1
107.08598	58.3
107.56129	2.6
109.10165	92.7
111.11729	8.7
115.07580	3.5
119.08582	32.6
121.10152	56.5
123.08052	4.7
123.11721	30.4
125.09673	4.1
127.07512	3.9
131.08554	3.3
133.10130	27.0
135.08046	3.2
135.11707	37.9
137.09669	4.1
137.13257	11.7
143.10683	6.8
145.10149	8.6
147.11719	18.4
149.09593	2.4
149.13261	21.9
151.14899	4.0
153.09103	6.3
159.11681	4.5
161.09650	3.0
161.13284	20.4
163.14845	10.4
167.10678	7.9
175.14847	12.9
177.16386	10.2
179.10689	5.0
181.12233	7.1
187.14848	4.4
189.12715	3.4
189.16425	12.4
191.17998	12.9
195.13826	6.8
203.17917	19.7
204.50063	2.8
205.19527	28.2
209.15271	3.9
217.19557	34.7
223.16891	6.8
229.19661	2.6
231.21077	14.5
235.16873	4.2
237.18486	4.7
243.21144	4.0
245.22607	15.5
249.18536	7.6
263.20248	2.9
299.27234	9.0
303.23013	3.9
313.28702	6.2
317.24774	3.7
345.27939	4.8
369.78586	2.8
371.29352	6.4
441.37265	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.04222	2.3
55.05515	19.2
57.07072	6.1
65.03912	3.5
67.05514	24.4
68.65163	2.2
69.07074	22.2
70.27577	9.7
71.04987	4.5
79.05495	16.8
81.07061	47.5
83.04971	2.7
83.08640	17.6
91.05476	21.1
93.07053	45.7
95.04984	3.9
95.08613	78.9
95.09211	2.9
97.06564	6.4
97.10237	6.0
99.08110	2.6
99.56049	3.4
101.38854	2.7
105.07033	54.2
106.21132	2.4
107.08607	63.8
109.06533	4.2
109.10162	59.3
111.08072	5.9
117.07033	8.5
119.08591	100.0
119.58987	2.4
121.10153	53.3
123.08055	6.7
123.11716	22.2
125.09644	4.0
129.06931	2.7
131.08577	21.6
133.10146	47.4
135.08014	2.5
135.11703	37.0
137.09592	4.1
137.13239	7.1
143.08548	4.9
144.09367	3.4
145.10118	45.3
147.11711	30.0
149.13272	21.4
151.14807	2.7
157.10139	9.5
158.11024	2.6
159.11708	49.3
161.13277	49.0
163.14835	14.9
165.12703	2.9
171.11682	6.4
173.13278	24.4
175.14848	28.3
177.16400	11.1
179.14377	12.1
179.15675	2.4
185.13203	6.2
187.14778	15.7
189.16379	34.8
191.14314	6.7
191.17957	22.7
193.15903	11.1
199.14795	11.2
201.16394	33.4
203.17990	18.9
205.15875	19.3
205.19359	4.0
207.17465	9.3
213.16380	4.9
214.84790	2.7
215.17929	15.5
217.15961	3.1
217.19513	9.4
219.17456	66.6
221.19176	3.4
227.17940	3.2
229.19615	12.4
231.17563	2.7
231.21092	5.2
233.19029	33.3
241.19704	3.4
243.21106	7.6
245.18938	2.8
245.22769	3.3
247.20596	6.8
255.21080	3.2
257.22668	4.6
259.20529	4.5
266.17874	2.5
269.22723	3.2
271.53458	2.4
283.24268	3.9
286.93750	2.3
287.23752	6.7
297.25858	6.2
301.25363	3.4
315.26801	7.7
331.26282	3.2
349.27579	4.3
368.18423	2.6
397.02991	2.8
405.35147	6.0
423.31039	8.5
423.36182	34.9
441.26480	3.4
441.37546	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.25222	3.2
55.05516	17.0
56.21323	2.8
57.07077	6.4
67.05514	31.2
67.21635	3.5
69.07070	20.5
69.99647	12.8
70.00035	5.9
79.05489	21.0
79.73790	3.2
81.07061	54.3
83.08623	13.2
87.04491	23.3
91.05468	19.2
93.07048	45.5
95.08615	100.0
97.06528	5.2
97.10204	5.2
98.20779	3.9
99.79133	3.5
105.07039	35.9
107.08607	76.1
109.06513	4.8
109.10165	92.0
111.08083	6.6
119.08591	66.1
121.10145	60.0
123.11724	23.9
125.09705	3.4
127.11181	4.7
127.77509	3.0
130.53772	3.1
131.08565	13.5
133.10153	42.5
135.11708	41.5
137.09575	3.9
137.13278	7.2
143.08594	5.0
145.10161	19.7
147.11699	40.3
149.13272	25.4
151.11241	4.1
157.10138	4.1
159.11737	23.9
161.13283	30.8
163.14853	21.5
165.12729	5.8
171.11690	9.4
173.13278	22.0
175.14856	23.2
177.16397	13.1
179.14276	7.3
185.13326	4.9
187.14844	12.9
189.16400	30.8
191.14423	3.5
191.17961	14.8
193.15892	11.1
195.17435	3.7
199.14792	3.6
201.16412	16.0
203.14340	4.4
203.17967	18.6
205.15926	7.3
207.17476	17.8
213.16376	5.1
215.17966	23.0
217.19551	9.6
219.17389	4.8
221.19061	4.2
227.17944	4.6
229.19452	16.6
231.17326	4.3
231.20987	3.6
233.18985	9.5
235.20436	3.3
243.21092	9.7
247.20589	13.9
255.21152	4.3
257.22656	5.7
259.20602	4.0
261.22174	9.7
269.22656	3.8
271.94876	3.2
283.24261	5.9
287.23892	5.5
301.25055	4.6
387.46756	3.4
405.35007	4.2
412.87653	3.6
423.36276	43.7
441.37515	93.8
442.37708	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	441.373
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
55.05513	19.2
57.07066	8.5
57.85959	2.5
64.80480	2.3
65.86900	2.3
67.05512	26.4
69.07074	28.2
69.21625	29.9
71.44513	2.8
75.60043	2.6
79.05496	22.9
81.07064	63.3
83.08632	14.9
91.05476	20.6
93.07042	44.9
95.08611	100.0
97.06518	5.6
97.10151	9.2
105.07034	44.4
107.08604	70.3
109.06555	2.9
109.10163	80.5
111.11713	4.5
113.09622	6.0
117.07016	8.5
119.08591	41.6
121.09322	4.8
121.10152	65.1
123.11722	19.8
125.09605	3.5
127.11187	11.9
128.75226	2.8
131.08557	20.4
133.10139	48.7
135.11691	38.3
137.09602	2.8
137.13268	19.9
139.11159	3.5
143.08560	9.0
145.10144	30.1
147.11714	38.0
149.13263	29.3
151.14780	5.9
157.10120	6.5
159.11685	20.0
161.13255	19.1
163.14836	14.7
171.11684	10.7
173.13269	18.0
175.14822	22.1
177.16393	89.0
185.13234	7.3
187.14859	17.4
189.16374	29.1
191.14264	3.4
191.17944	16.9
193.15950	4.5
199.14796	7.9
201.16414	24.6
203.17978	27.7
205.15918	3.5
207.17465	5.2
213.16370	11.4
215.17982	19.0
217.19553	15.0
219.17430	10.6
227.17917	9.9
229.19444	13.2
233.19099	5.7
239.17897	4.1
243.21080	4.5
245.19020	10.1
247.50972	3.0
255.21037	11.5
267.21191	5.9
271.24237	4.7
273.22296	3.9
341.12732	3.1
354.28119	2.9
405.35101	11.9
411.36142	12.6
423.36273	40.0
441.37677	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	441.3731
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03942	3.6
55.01868	4.1
55.05513	19.0
56.26010	2.2
57.03446	3.0
57.07077	6.3
59.04995	3.3
67.05503	31.7
69.03426	6.1
69.07075	29.7
70.06586	4.4
71.04994	2.4
71.55525	2.9
79.05492	18.9
81.03388	4.2
81.06585	3.1
81.07061	60.4
82.07374	3.1
83.04952	6.3
83.08607	13.5
85.02893	5.1
85.06541	4.4
91.05492	17.7
93.07040	38.7
93.22895	2.1
95.04971	8.4
95.08613	100.0
97.02907	2.3
97.06523	7.7
97.10175	8.9
105.07043	33.7
107.08596	56.7
109.06507	4.5
109.10165	61.6
111.08089	8.8
117.07034	5.8
119.08589	44.0
121.06519	4.7
121.10148	51.9
123.08093	5.3
123.11713	29.4
125.09633	7.0
129.07034	2.9
130.05003	3.0
131.08562	10.9
133.10143	35.0
135.08040	5.2
135.11717	33.2
137.09624	8.8
137.13258	25.7
139.11197	2.4
143.08556	3.6
145.10132	18.3
147.11694	23.3
149.09695	3.3
149.13271	22.0
151.07570	3.9
153.05486	2.5
155.08635	2.3
157.10158	9.2
159.11723	22.9
161.09604	2.8
161.13257	23.5
163.11227	3.5
163.14839	8.1
165.09126	27.2
167.07097	3.1
171.11684	5.7
173.13274	9.9
175.14856	17.0
177.12776	2.6
177.16371	16.6
185.13243	5.0
187.14835	10.9
189.16389	15.8
191.10733	3.0
191.14363	2.6
191.17920	23.6
199.14836	4.4
201.16409	13.4
203.17943	21.9
205.12251	2.7
205.15837	3.0
205.19553	6.3
207.17433	3.0
211.14935	3.2
213.16411	6.1
215.18008	11.7
217.19482	8.7
219.17484	7.3
227.17987	6.6
229.19508	6.4
233.19107	6.6
243.21178	2.9
245.18983	6.8
245.22531	2.6
255.21054	2.7
285.22321	5.0
299.23337	2.8
329.42169	2.7
353.31723	2.5
395.36700	7.8
405.35217	4.6
407.58878	2.4
423.36432	25.5
441.27991	11.2
441.37375	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
51.93430	1.8
55.05516	31.1
57.07070	6.9
62.08653	1.7
63.02422	2.0
67.05509	24.0
69.07070	35.4
71.20583	2.6
77.56630	2.0
79.05514	9.4
81.07066	46.0
83.08624	16.3
91.05479	5.8
93.07058	27.1
95.08617	100.0
97.06532	2.1
97.10175	22.6
99.04484	2.5
99.42278	1.9
105.07035	13.5
106.06756	1.9
107.08602	48.4
109.10168	78.3
111.11703	9.8
115.07580	2.0
119.08588	19.8
121.10151	42.2
123.08070	3.1
123.11716	22.6
131.08571	3.5
133.10135	23.5
135.11700	26.2
137.13283	14.9
143.10699	2.1
145.10162	2.8
147.11697	19.4
149.09624	4.7
149.13260	18.3
153.09137	7.3
159.11690	4.4
161.09590	4.6
161.13292	12.4
163.11174	3.3
163.14821	8.3
167.10735	11.5
173.13280	4.5
175.11224	4.3
175.14828	7.5
177.12810	2.0
177.16455	5.0
179.10674	5.9
179.90715	1.8
181.12276	5.9
189.12743	8.0
189.16356	6.9
191.17955	7.6
193.12239	2.8
195.13736	2.0
203.17970	6.1
205.19536	45.4
207.13811	4.1
209.15410	2.9
217.19510	12.0
219.21307	2.2
221.15384	2.6
223.16956	8.7
231.21153	13.4
235.16931	4.4
237.18427	3.2
243.21014	3.2
245.22652	24.6
249.18524	8.2
257.22769	3.3
259.24347	2.5
263.20023	3.1
277.21649	4.0
299.27182	4.4
313.28650	2.6
317.24719	7.3
371.29480	4.0
441.37341	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	441.3728
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
53.03946	2.7
55.01873	2.5
55.05512	11.7
56.82121	1.6
57.03448	2.7
57.07078	10.7
61.55504	2.0
67.05505	23.0
69.07069	29.2
70.51334	5.1
71.04991	2.5
72.08133	1.7
78.28103	1.7
79.05489	16.5
81.07060	60.6
83.04994	3.9
83.08619	14.3
85.02892	2.2
85.06557	1.9
86.99944	2.0
91.05470	14.0
93.07046	33.8
95.04977	3.4
95.08607	100.0
97.06548	3.5
97.10153	9.2
98.21590	2.1
98.54858	1.7
99.08083	3.4
105.07039	33.8
105.45875	2.0
107.08599	51.5
107.09300	3.4
109.06539	1.6
109.10160	57.5
111.08087	8.1
111.11739	2.2
119.07793	3.2
119.08580	40.8
121.06554	3.7
121.10148	50.8
123.08049	3.4
123.11712	29.0
125.09618	4.9
129.07014	2.5
131.08556	8.5
133.10141	41.2
135.11700	35.9
137.09627	5.7
137.13251	28.9
143.08621	2.7
145.10132	20.0
147.11678	27.9
149.09584	3.2
149.13258	26.4
151.07602	1.7
151.11177	4.3
151.14917	2.7
157.10118	5.1
159.11697	22.0
161.13275	21.5
163.11139	3.9
163.14832	11.2
165.09138	5.6
171.11656	4.5
173.13242	14.0
175.14830	12.7
177.12833	3.1
177.16417	18.8
179.17865	2.2
183.11748	2.1
185.13330	4.8
187.14807	12.4
189.16371	17.2
191.17953	34.9
193.04797	1.9
199.14912	6.5
200.99026	2.2
201.16376	15.4
203.17949	23.4
205.15903	5.0
205.19550	10.1
207.17418	7.8
213.16312	3.6
215.17993	10.7
217.15910	3.5
217.19484	7.3
219.17427	10.2
219.21056	3.6
227.17976	4.6
229.19579	3.3
231.17516	4.1
231.21103	5.2
233.19019	5.9
243.21092	4.9
245.19044	5.9
245.22711	2.7
255.20985	2.9
256.11407	2.7
257.22723	3.3
259.20404	2.3
263.20111	3.9
269.22787	1.9
271.24118	2.1
273.22049	2.9
285.22183	2.3
289.21613	2.4
291.23111	4.3
298.12811	2.0
298.17023	1.8
303.23157	2.2
311.27563	2.2
313.28888	3.3
315.13403	5.2
316.13705	16.0
327.26425	2.2
329.28622	2.1
331.11328	1.7
353.32196	2.0
395.36819	15.6
405.35086	4.9
423.36237	34.8
441.26035	2.0
441.31372	2.6
441.37274	46.8
442.37915	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	22.0
57.07061	9.2
67.05511	27.3
69.07070	45.1
71.04984	3.4
71.08607	3.4
71.20723	7.0
72.04517	6.4
79.05486	13.0
81.07062	69.7
83.04958	4.3
83.08615	18.7
91.05464	9.3
93.07054	37.6
95.08609	100.0
97.06559	3.4
97.10171	12.1
105.07046	30.2
107.08600	74.5
109.10162	90.3
111.11737	10.6
115.07561	4.1
119.08590	37.4
121.09330	4.7
121.10157	58.5
123.08022	4.1
123.11711	34.1
131.08569	5.6
133.10120	36.0
135.11694	36.5
137.13252	30.4
145.10120	6.6
145.47064	3.1
147.11688	29.1
149.09631	4.0
149.13266	26.5
151.11121	4.9
151.14798	4.0
153.09105	8.2
159.11671	5.5
161.13272	20.2
163.14798	9.2
167.10687	8.5
173.13240	6.6
175.14827	16.6
177.16290	8.1
179.10690	4.7
181.12218	7.2
187.14865	4.6
189.16339	12.7
191.17928	11.6
195.13811	4.9
201.16359	5.3
203.17943	17.5
205.19556	23.9
215.18013	5.3
217.19547	18.6
223.16927	10.3
229.19495	5.5
231.21095	15.5
235.16806	3.8
243.21005	6.7
245.22684	23.9
249.18488	4.6
257.22638	8.0
259.24176	3.7
271.24136	11.5
279.46375	3.2
285.25635	5.1
291.23138	3.6
299.27271	5.1
303.23096	9.8
313.29050	5.2
441.37335	96.9
441.44644	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	441.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.0
55.01881	18.3
55.05515	29.9
55.31606	3.7
57.03442	10.3
57.08983	3.3
59.04990	4.6
65.03944	6.8
67.05512	43.9
67.99815	3.6
68.99796	5.3
69.03443	50.3
69.07075	27.3
70.00061	8.9
70.00454	9.1
70.06604	15.1
71.04991	7.8
72.08166	11.3
73.02896	4.9
79.05506	24.0
81.03432	30.3
81.07060	51.4
83.04986	73.4
83.08604	6.3
83.65227	3.6
83.83844	4.2
84.08144	9.7
85.02904	46.6
87.00834	16.9
87.04470	4.9
91.05482	31.0
93.07050	43.0
95.01327	7.4
95.04366	6.6
95.04974	100.0
95.08620	49.5
96.04526	4.2
97.02882	19.9
97.06532	14.0
98.21454	5.6
99.04453	10.4
103.03936	8.3
105.01884	5.4
105.07032	36.1
107.04987	8.9
107.08608	42.0
109.02895	16.3
109.05356	4.7
109.06539	34.9
109.10159	72.3
111.04485	9.5
113.02338	3.5
115.03925	5.4
115.30326	3.5
117.07063	10.3
119.08584	42.5
121.06527	20.3
121.10149	31.8
123.04419	10.0
123.08073	11.6
123.11705	9.5
124.07587	4.6
125.05981	11.5
126.09180	5.3
127.03919	22.1
128.07053	4.4
129.01863	5.6
131.08577	17.7
133.10153	38.1
135.04500	4.2
135.08052	46.8
135.11710	43.6
137.05989	11.5
137.09627	51.5
138.09161	11.3
139.11189	4.7
141.05519	7.7
141.06918	4.3
143.08554	7.2
145.04945	6.8
145.06493	6.0
145.10159	14.2
147.02876	4.9
147.04466	5.4
147.08023	5.9
147.11693	11.5
149.05972	13.7
149.09712	7.9
151.07562	11.5
151.11134	7.5
154.08554	4.7
155.08545	5.7
156.09361	5.5
157.10133	10.2
159.08022	5.1
159.11754	9.0
161.09659	7.0
161.13261	4.7
163.07510	9.2
163.11230	3.9
165.12804	4.2
167.07074	4.9
171.11771	5.8
173.09621	7.8
173.13286	9.0
175.11276	5.3
175.14883	22.1
177.09210	8.0
177.12717	4.6
177.16536	3.9
179.07172	4.3
179.10692	49.4
185.09669	4.7
187.14886	6.1
189.03967	9.3
189.12801	5.7
191.14319	7.1
193.05078	8.4
193.15868	46.5
201.09184	4.4
203.10727	3.9
209.15353	4.8
215.14384	7.5
217.15990	7.6
231.17345	5.3
233.15373	5.4
235.16946	10.5
251.16559	7.0
277.18027	5.2
279.16663	3.5
301.17896	14.5
319.19052	10.5
357.22150	3.5
385.14844	7.0
423.20444	7.6
441.21121	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	441.3731
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
51.02388	1.7
53.03949	4.7
55.05298	2.0
55.05515	22.2
57.03429	5.2
57.07064	6.9
59.04992	2.7
67.05176	2.1
67.05513	25.3
69.03413	8.5
69.06729	2.4
69.07076	37.2
69.99825	3.9
70.00188	6.9
70.06583	7.0
70.07420	2.1
71.04979	2.4
71.08613	6.7
72.08143	4.1
79.05499	20.1
81.03417	2.2
81.06585	3.8
81.07062	69.7
83.04983	7.5
83.08615	16.5
85.02909	5.4
85.06534	3.3
86.32961	1.6
87.04498	2.7
91.05495	20.8
93.06470	2.5
93.07050	34.1
95.04972	3.2
95.08612	100.0
97.02869	5.0
97.06522	5.5
97.10162	11.4
99.04437	4.6
99.08129	3.7
100.11262	4.2
102.54342	1.9
105.06396	2.7
105.07040	34.2
107.08599	51.7
109.02882	2.9
109.06506	4.6
109.10162	62.9
111.04423	3.5
111.08071	8.2
111.11728	3.9
114.02068	1.8
115.03951	2.1
117.06985	4.5
119.04935	1.8
119.08582	48.8
120.08929	2.0
121.06491	3.3
121.10143	56.0
122.02755	2.4
123.08043	5.4
123.11724	28.1
125.09637	5.7
128.07072	3.7
129.07001	2.7
130.07809	2.6
131.08575	13.3
133.04874	2.0
133.10139	39.7
135.08044	4.4
135.11713	35.7
137.09630	5.2
137.13264	27.1
139.07602	2.0
139.11185	3.3
140.59517	1.7
141.07045	1.9
143.08574	6.1
145.05016	2.2
145.10136	21.5
147.04384	2.0
147.11688	32.4
149.09671	4.3
149.13268	25.9
151.07603	2.9
151.11212	3.4
151.14874	2.8
153.05498	2.0
155.08627	2.1
157.10107	8.8
159.11691	24.6
161.09532	2.1
161.13261	15.6
163.11174	3.4
163.14819	12.9
165.09102	6.7
165.12785	4.6
169.10149	3.1
170.15421	8.7
171.11681	6.4
173.13258	13.5
175.14793	15.7
177.12749	2.5
177.16438	22.4
182.15378	3.4
183.11710	2.9
185.13234	5.4
187.14807	9.7
189.12781	2.3
189.16386	19.4
191.14285	2.9
191.17950	33.5
193.15887	3.0
197.13316	3.0
198.14937	7.0
199.14803	4.3
201.16331	13.9
203.17975	22.7
205.15828	3.8
205.19568	12.5
207.17442	6.5
210.14879	4.3
213.16362	5.6
215.18016	14.7
217.15848	3.5
217.19630	9.6
219.17430	8.4
227.17821	6.1
229.19527	3.8
231.17491	4.0
231.21133	6.0
233.19002	8.5
239.17960	2.4
243.21068	5.4
245.19034	4.5
245.22762	2.4
253.19643	2.1
255.21152	2.5
257.22742	2.8
271.20480	2.4
273.22189	5.1
283.10715	5.2
285.22183	2.8
291.23138	4.9
301.11942	3.1
303.23260	2.7
313.28955	2.9
395.36679	8.8
397.24390	4.2
405.34985	6.7
423.31726	2.3
423.36380	33.1
424.31424	4.2
441.24649	16.3
441.37491	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01872	2.7
55.05503	4.1
56.48042	0.9
57.03427	1.6
61.02928	1.8
65.03939	0.9
67.05502	4.7
68.58572	0.9
68.99786	1.6
69.03437	12.3
69.07062	9.6
69.44329	3.6
69.44759	3.6
70.06598	2.1
71.04982	1.0
72.08154	3.9
79.05506	5.5
81.03430	5.8
81.07075	5.7
83.08618	1.8
85.02911	17.0
85.06545	3.5
87.00824	8.8
91.05487	6.2
93.07049	8.0
95.04987	2.2
95.08605	14.8
97.02888	12.1
97.06535	2.9
99.04455	2.8
101.02423	1.1
103.05480	1.1
105.01862	7.2
105.07035	10.8
107.08601	18.4
109.02871	4.4
109.06494	2.1
109.10177	12.2
111.08090	1.9
113.02346	1.1
115.03925	2.0
119.08589	37.3
121.06541	1.5
121.10147	20.6
123.08123	2.1
123.11716	3.0
125.02348	3.6
127.03918	11.8
129.01851	1.4
131.08560	2.7
133.06522	1.4
133.10146	33.9
135.08064	1.5
135.11687	6.3
136.06139	1.1
137.09615	2.1
142.36794	0.9
143.03424	1.5
145.04932	3.4
145.10129	5.3
146.10916	1.2
147.02873	1.2
147.04385	1.3
147.11690	9.3
149.09584	1.7
149.13287	3.5
157.10190	1.6
159.02867	3.0
159.11679	3.6
161.09637	1.0
161.13234	6.0
173.13272	3.6
175.14832	100.0
176.15138	1.2
177.16406	18.3
185.13101	1.2
187.14845	5.8
189.03882	1.0
189.16331	1.2
191.18068	1.2
193.15900	10.1
205.15878	12.6
214.82037	1.0
217.15875	1.2
231.05040	3.7
249.05988	1.0
283.16946	2.2
301.17950	3.5
319.19229	1.4
405.19171	2.4
423.20233	1.2
441.21054	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30683	1.5
55.05504	4.2
57.07080	54.4
57.22298	1.4
59.05011	17.0
67.05505	6.2
69.07060	6.0
69.58306	7.1
69.58717	2.3
71.08636	100.0
79.05466	2.4
81.07047	6.8
83.08617	3.8
84.46938	1.6
85.10187	56.0
89.05479	3.2
89.06036	60.3
91.05472	2.9
93.07047	4.8
95.04958	1.6
95.08634	8.1
97.10201	2.3
98.21482	2.9
103.07580	4.3
105.07004	5.2
107.08597	6.2
109.10156	6.8
110.10493	2.5
111.11651	1.6
119.08593	4.9
120.08885	2.3
121.10145	3.1
122.10479	1.7
123.11708	3.0
127.14849	5.8
131.08673	2.0
133.08609	59.4
133.10165	4.0
135.11693	3.7
137.13203	1.5
143.08519	1.8
145.10156	3.7
147.11699	3.2
151.09784	2.6
157.10165	3.2
159.11693	3.3
173.13216	2.4
175.09669	1.7
175.14719	2.2
177.11243	11.8
185.19023	9.0
221.13802	4.0
229.21739	3.8
239.14886	20.1
250.16240	1.6
279.17914	2.0
283.17450	6.8
297.18997	3.2
422.34561	2.7
423.32837	7.2
440.36221	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	440.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
53.99816	2.2
55.01868	5.4
55.05519	13.6
55.31812	2.4
57.07066	8.5
59.04963	2.9
64.49270	2.6
65.03954	3.2
65.46611	2.3
67.05508	23.2
68.05039	18.1
68.05837	3.2
69.03423	10.8
69.07076	16.9
70.06600	74.0
71.04978	6.4
71.55480	4.1
72.08153	4.5
73.70496	2.4
79.05499	24.2
80.05016	5.1
81.03413	5.4
81.07066	36.4
82.06578	5.5
82.07349	3.4
83.04964	8.7
83.08643	11.6
83.42427	2.7
84.08162	15.2
85.02911	6.7
85.06527	9.5
85.36505	2.3
86.06123	3.1
87.04492	3.1
89.31845	2.5
91.05496	26.6
92.05795	2.9
93.07056	28.7
94.07396	3.9
95.04964	10.1
95.08613	32.7
96.08160	15.9
96.08937	7.6
97.02879	6.4
97.06562	11.6
98.06017	3.2
100.07628	21.1
103.05481	6.4
105.04489	3.0
105.06393	4.8
105.07046	62.9
106.06584	3.8
106.07350	6.4
107.08601	34.9
108.08114	19.5
108.08841	4.9
109.02879	3.5
109.06509	11.2
109.10154	24.0
110.10468	4.1
111.08049	3.4
113.09648	2.3
114.05546	11.7
116.07117	3.7
117.07029	12.7
118.06557	2.7
119.08582	46.6
120.08104	9.6
120.08899	4.8
121.06492	4.5
121.10162	24.2
122.10484	5.7
123.08064	12.1
123.11703	5.5
124.07668	3.2
125.09643	4.3
126.09157	6.0
128.06204	4.6
128.07069	31.6
129.07024	9.3
130.07782	3.1
130.08669	3.2
131.08563	24.9
133.10146	24.6
134.09624	3.9
134.10495	3.9
135.08035	9.8
135.11696	14.6
136.12059	4.9
137.09624	14.9
141.06952	3.0
142.07756	7.4
142.08699	4.9
143.08571	24.8
145.10135	40.8
147.08014	8.0
147.10550	4.2
147.11659	18.4
148.11215	8.0
149.09555	6.2
149.13295	6.1
151.07558	4.5
152.07069	2.7
154.08650	64.3
155.08586	8.7
155.10637	5.0
156.09343	9.5
157.10126	27.2
158.10791	4.0
159.08067	3.6
159.11725	16.1
160.11206	7.4
161.09589	5.4
161.13318	5.8
162.12744	4.8
163.11142	5.3
163.14761	3.9
164.07077	4.6
165.09129	22.0
167.08553	5.1
169.10150	9.6
171.11682	17.4
172.11224	5.8
173.09753	2.9
173.13327	7.5
174.12741	2.9
175.11172	8.6
175.14816	7.4
178.08728	3.9
179.08577	4.2
181.10121	6.7
181.12236	4.0
182.10928	3.7
183.11786	11.7
184.11160	2.7
185.13301	3.4
186.12711	3.1
187.14883	3.0
188.14294	5.8
189.12773	2.9
189.16425	4.0
191.17949	8.3
192.10240	4.7
192.18263	5.8
193.10164	4.2
193.15918	4.5
194.11826	25.4
195.11697	7.3
197.13293	11.2
199.11105	3.7
199.14845	3.5
202.16707	3.2
203.14348	8.0
204.18300	3.5
206.11736	4.8
207.11726	2.7
209.13260	5.9
211.14980	3.9
215.14415	4.1
218.11736	6.8
220.13370	7.8
221.13359	4.0
221.15364	35.5
223.14931	4.6
225.16318	2.7
231.17467	3.2
232.13367	12.1
235.14883	3.6
265.19601	3.2
269.18655	4.4
271.16977	3.0
281.18927	3.3
286.21655	5.2
287.16016	4.5
290.17865	3.7
291.21124	4.9
299.20123	22.0
309.22125	6.0
319.86005	3.4
325.21753	4.3
327.23267	4.8
348.21613	7.7
360.21707	10.4
396.29132	34.3
422.26547	4.3
422.34973	5.1
440.27957	100.0
440.35873	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	440.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
53.99816	2.2
55.01868	5.4
55.05519	13.6
55.31812	2.4
57.07066	8.5
59.04963	2.9
64.49270	2.6
65.03954	3.2
65.46611	2.3
67.05508	23.2
68.05039	18.1
68.05837	3.2
69.03423	10.8
69.07076	16.9
70.06600	74.0
71.04978	6.4
71.55480	4.1
72.08153	4.5
73.70496	2.4
79.05499	24.2
80.05016	5.1
81.03413	5.4
81.07066	36.4
82.06578	5.5
82.07349	3.4
83.04964	8.7
83.08643	11.6
83.42427	2.7
84.08162	15.2
85.02911	6.7
85.06527	9.5
85.36505	2.3
86.06123	3.1
87.04492	3.1
89.31845	2.5
91.05496	26.6
92.05795	2.9
93.07056	28.7
94.07396	3.9
95.04964	10.1
95.08613	32.7
96.08160	15.9
96.08937	7.6
97.02879	6.4
97.06562	11.6
98.06017	3.2
100.07628	21.1
103.05481	6.4
105.04489	3.0
105.06393	4.8
105.07046	62.9
106.06584	3.8
106.07350	6.4
107.08601	34.9
108.08114	19.5
108.08841	4.9
109.02879	3.5
109.06509	11.2
109.10154	24.0
110.10468	4.1
111.08049	3.4
113.09648	2.3
114.05546	11.7
116.07117	3.7
117.07029	12.7
118.06557	2.7
119.08582	46.6
120.08104	9.6
120.08899	4.8
121.06492	4.5
121.10162	24.2
122.10484	5.7
123.08064	12.1
123.11703	5.5
124.07668	3.2
125.09643	4.3
126.09157	6.0
128.06204	4.6
128.07069	31.6
129.07024	9.3
130.07782	3.1
130.08669	3.2
131.08563	24.9
133.10146	24.6
134.09624	3.9
134.10495	3.9
135.08035	9.8
135.11696	14.6
136.12059	4.9
137.09624	14.9
141.06952	3.0
142.07756	7.4
142.08699	4.9
143.08571	24.8
145.10135	40.8
147.08014	8.0
147.10550	4.2
147.11659	18.4
148.11215	8.0
149.09555	6.2
149.13295	6.1
151.07558	4.5
152.07069	2.7
154.08650	64.3
155.08586	8.7
155.10637	5.0
156.09343	9.5
157.10126	27.2
158.10791	4.0
159.08067	3.6
159.11725	16.1
160.11206	7.4
161.09589	5.4
161.13318	5.8
162.12744	4.8
163.11142	5.3
163.14761	3.9
164.07077	4.6
165.09129	22.0
167.08553	5.1
169.10150	9.6
171.11682	17.4
172.11224	5.8
173.09753	2.9
173.13327	7.5
174.12741	2.9
175.11172	8.6
175.14816	7.4
178.08728	3.9
179.08577	4.2
181.10121	6.7
181.12236	4.0
182.10928	3.7
183.11786	11.7
184.11160	2.7
185.13301	3.4
186.12711	3.1
187.14883	3.0
188.14294	5.8
189.12773	2.9
189.16425	4.0
191.17949	8.3
192.10240	4.7
192.18263	5.8
193.10164	4.2
193.15918	4.5
194.11826	25.4
195.11697	7.3
197.13293	11.2
199.11105	3.7
199.14845	3.5
202.16707	3.2
203.14348	8.0
204.18300	3.5
206.11736	4.8
207.11726	2.7
209.13260	5.9
211.14980	3.9
215.14415	4.1
218.11736	6.8
220.13370	7.8
221.13359	4.0
221.15364	35.5
223.14931	4.6
225.16318	2.7
231.17467	3.2
232.13367	12.1
235.14883	3.6
265.19601	3.2
269.18655	4.4
271.16977	3.0
281.18927	3.3
286.21655	5.2
287.16016	4.5
290.17865	3.7
291.21124	4.9
299.20123	22.0
309.22125	6.0
319.86005	3.4
325.21753	4.3
327.23267	4.8
348.21613	7.7
360.21707	10.4
396.29132	34.3
422.26547	4.3
422.34973	5.1
440.27957	100.0
440.35873	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	440.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09859	1.7
53.03945	2.2
55.02230	1.9
55.05523	10.8
57.07069	5.2
65.03932	2.0
67.05515	14.5
68.05041	13.5
69.03417	6.7
69.07064	7.4
70.06602	55.7
70.61405	4.5
71.04993	3.6
79.05501	15.8
80.05028	7.5
81.03459	1.9
81.07079	23.0
82.06598	4.1
83.04968	4.9
83.08636	2.3
84.08134	7.9
85.06553	3.3
91.05494	16.1
93.07056	22.6
94.06556	2.9
95.04984	6.1
95.08612	13.8
96.08145	14.6
97.06543	6.0
97.10138	2.2
98.06068	3.3
100.07645	19.7
103.05507	2.5
105.07041	41.2
107.08611	17.6
108.08141	17.4
109.06554	10.1
109.10149	11.0
110.09717	2.2
114.05531	7.1
115.05449	2.7
116.07088	5.9
117.07027	8.8
119.08601	28.0
120.08118	6.1
121.06511	3.5
121.10153	12.0
122.09685	4.5
123.08099	4.0
123.11732	3.0
125.06018	2.2
126.09199	3.0
126.51476	2.0
128.06215	6.0
128.07098	29.1
129.07024	8.6
130.07802	5.2
131.08606	14.7
133.10143	14.4
134.09666	4.7
135.08054	3.7
135.11687	5.6
137.09656	5.0
139.11168	2.4
141.06984	2.8
142.07799	6.3
143.08606	17.1
144.09389	2.6
145.06470	2.9
145.10133	27.3
145.85890	2.0
146.09616	4.0
147.08054	6.2
147.11687	11.5
148.11234	8.6
149.09540	3.4
151.07663	2.4
154.08649	61.1
155.08618	7.2
155.10706	3.3
156.09386	6.2
157.10147	17.1
159.08121	2.3
159.11717	11.1
160.11263	7.8
161.09627	2.8
161.13246	4.3
162.12801	6.2
163.11174	4.7
164.07048	2.3
165.09154	18.3
167.08534	3.4
168.10246	2.4
169.10106	10.4
170.10925	1.9
171.11748	11.8
172.11194	3.5
173.09538	3.6
173.11984	3.0
173.13309	3.6
174.12828	8.0
175.11186	4.1
178.08655	2.6
178.48969	2.0
179.08649	3.4
181.10109	6.3
181.12276	3.0
182.10930	3.3
183.11732	6.5
184.11275	2.4
185.13219	3.0
186.12733	4.5
188.14400	7.7
189.12735	2.3
192.10332	2.6
193.10193	5.1
194.11847	17.7
195.11755	4.3
196.12660	2.0
197.13330	6.2
198.12737	2.6
199.11179	2.3
199.14783	2.1
200.14325	2.2
203.14377	5.6
206.11731	3.7
207.11778	2.9
209.13286	4.5
211.14931	3.8
215.14203	2.7
218.11786	5.5
219.12541	10.9
220.13280	4.4
221.13344	3.9
221.15359	26.0
223.14928	4.0
225.12715	2.4
225.16545	2.6
232.13414	11.6
235.14883	2.1
260.16589	6.0
261.16589	2.0
272.16455	2.6
281.18961	2.7
287.02713	2.3
291.21109	2.4
299.20142	21.1
304.23047	2.6
325.22125	3.2
327.23270	8.1
348.21774	4.8
360.21698	8.6
378.28299	2.1
396.28986	30.9
422.26877	7.8
433.70331	2.0
440.28003	100.0
440.36279	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	440.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
53.22401	2.4
55.01873	9.0
55.05496	11.1
57.03439	19.1
57.07077	3.1
59.04987	4.5
61.02940	17.0
63.24171	2.3
65.03944	2.9
67.05517	11.9
69.03432	43.2
69.07069	84.4
70.02915	6.8
70.06590	15.8
71.04989	2.5
72.08152	8.9
72.40517	2.4
73.02920	78.4
79.05488	6.9
81.03411	11.8
81.07050	17.7
83.04974	4.1
83.08601	4.5
84.08141	3.8
85.02908	100.0
85.06554	6.5
86.09665	2.4
86.49422	2.2
87.04501	3.2
91.03992	3.2
91.05481	10.3
93.07061	13.0
95.04947	3.8
95.08614	16.6
97.02291	3.1
97.02899	59.7
97.06543	6.0
99.04456	8.1
99.08100	6.6
103.03937	4.5
105.07054	17.9
107.08618	13.9
108.08913	2.4
109.02882	13.0
109.06545	5.3
109.10148	10.4
110.10451	2.7
111.08074	10.7
111.11729	34.3
114.05531	2.5
115.03932	28.9
116.07091	5.8
117.07065	2.4
119.08603	12.8
121.02853	2.4
121.06548	3.5
121.10152	10.5
122.06149	2.4
123.04410	2.8
123.11685	7.5
125.09629	3.2
127.03931	25.5
127.11206	8.1
129.06972	4.3
129.12761	42.8
131.08580	5.3
133.04988	25.1
133.10130	9.8
134.10551	3.8
135.04413	2.9
135.11670	7.1
136.06200	6.1
137.09587	5.8
139.11176	3.3
141.12729	20.0
143.08562	5.3
145.04956	26.9
145.10123	7.0
147.11697	6.2
149.09550	3.8
150.07576	3.4
154.08665	5.2
159.11699	2.8
163.05998	9.3
164.07063	2.6
169.12302	3.6
171.11775	3.3
173.13339	3.2
175.11121	4.1
177.12738	2.8
179.10645	2.5
191.17941	4.4
192.18356	3.7
195.13815	5.5
207.13690	3.7
219.13901	5.7
223.05943	5.9
233.15450	6.4
237.14816	4.1
241.07042	5.9
255.15862	6.1
259.08194	6.1
273.16919	11.4
291.18164	15.6
315.13358	6.1
330.20792	4.4
345.16895	4.2
358.20474	3.7
361.51157	2.7
371.63358	2.7
376.20972	10.3
422.21292	13.7
426.54770	2.7
440.27438	8.6
440.35739	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	440.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
54.89169	1.3
55.01881	7.4
55.05519	8.5
57.03438	17.0
59.05013	2.1
61.02928	14.3
67.05502	2.8
69.03083	2.4
69.03432	35.5
69.07070	53.8
69.33361	10.9
70.06578	1.9
71.01353	3.4
71.04993	1.7
73.02921	81.3
79.05482	1.9
81.03426	7.9
81.07048	4.7
83.08604	1.4
85.02910	100.0
87.04475	4.2
91.03941	4.3
91.05476	1.8
93.07035	4.3
95.04966	1.6
95.08607	3.9
97.02895	63.0
99.04442	3.9
103.03928	4.9
105.07050	2.3
107.08606	2.4
109.02881	7.3
109.10158	2.3
111.11726	26.5
115.03938	32.5
119.08563	1.9
121.06488	1.4
121.10157	1.7
123.11670	2.5
127.03926	32.2
133.04979	35.4
133.10153	1.5
135.11752	1.6
145.04964	48.5
150.07587	4.0
156.64076	1.5
158.78352	1.3
163.06021	21.5
177.12666	1.3
187.05862	1.4
193.04993	1.8
199.05859	1.6
207.13782	2.4
217.07175	2.2
218.73929	1.5
223.06003	6.0
225.14836	1.4
241.07048	9.1
243.15973	3.4
255.15656	1.5
259.08124	13.0
273.16922	1.4
277.09030	2.3
295.10052	3.1
395.17752	1.5
422.21484	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.2
55.05499	0.4
67.05503	1.2
68.05041	0.4
69.03431	0.2
69.07074	1.9
70.06593	1.9
72.08147	0.8
79.05498	1.1
81.03413	0.4
81.07048	1.4
82.06612	0.3
83.04987	0.4
84.04470	0.3
84.08151	1.1
85.02910	0.4
85.06538	0.4
89.75129	0.2
91.05479	0.8
93.07042	1.0
94.07401	0.2
95.04965	0.3
95.08615	1.5
96.04484	0.4
96.08137	0.7
97.02918	0.2
97.06546	0.7
97.10137	0.2
99.08100	0.3
100.07635	0.4
105.07051	1.3
107.04939	0.3
107.08616	1.1
108.04479	0.4
108.08147	0.3
108.08912	0.2
109.06576	0.4
109.10144	0.9
112.07569	0.4
114.05523	0.4
116.07059	0.5
117.07041	0.3
119.08578	1.2
121.06532	0.2
121.10149	1.1
122.06031	0.6
123.08067	0.3
123.11679	0.3
125.09615	0.3
128.07072	0.7
129.07014	0.3
130.08626	0.9
131.08585	0.6
133.10114	0.8
137.09573	0.3
139.37013	0.2
140.07076	2.6
143.08521	0.6
145.10094	0.7
146.06007	0.2
147.11728	0.4
148.07585	2.6
149.09702	0.5
149.13356	0.2
154.08624	0.9
155.08609	0.3
156.09354	0.3
157.10129	0.6
159.11726	0.5
160.07561	0.3
160.11165	0.5
165.09088	1.1
168.06577	2.8
169.10164	0.4
170.09604	0.3
171.11732	0.3
174.05499	0.7
174.09096	0.3
183.11674	0.4
187.11095	0.3
191.17912	0.4
192.18333	0.3
196.13411	0.4
197.13266	0.4
198.09161	0.7
199.08673	2.9
203.09308	0.4
203.14166	0.3
210.09175	0.5
212.09366	0.5
213.10239	1.1
214.10991	0.7
215.11859	1.1
224.10701	0.6
225.10225	3.1
226.08739	1.2
226.10699	0.3
227.08183	1.3
227.11786	1.6
233.15398	0.4
241.09688	0.7
241.13536	0.6
242.10480	0.7
243.11327	1.4
250.19078	0.3
252.10220	0.7
253.13492	0.3
255.11304	13.2
263.17743	0.3
269.12854	3.8
271.14392	0.3
287.14005	0.4
297.12326	4.7
315.13391	100.0
316.13705	1.6
330.20496	0.4
348.21405	0.5
422.26782	1.2
440.21561	0.4
440.27704	1.1
440.36099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
56.29047	0.3
65.03933	0.9
66.86967	0.3
67.04250	0.7
69.03426	0.8
70.06597	1.8
71.22459	0.5
72.08154	0.7
73.02896	0.4
81.03429	0.3
81.07025	0.4
82.06583	17.4
83.07331	0.5
84.04469	0.3
84.08147	0.6
85.02895	0.5
85.06555	1.3
85.24333	0.3
86.09724	0.4
89.10823	0.3
91.05486	23.4
92.05824	0.3
93.07011	0.6
95.08644	0.3
97.02895	0.8
97.06499	0.4
100.07623	4.6
109.02870	0.4
109.10152	0.4
116.07098	0.8
116.76685	0.3
128.07083	100.0
129.07420	0.7
133.10164	0.4
135.08044	0.5
142.08643	1.2
145.02957	0.4
147.04491	0.3
163.03914	1.0
167.21428	0.3
168.06593	0.6
185.13016	0.3
186.07629	0.4
188.09183	3.2
191.14348	0.4
218.11775	5.9
230.10246	0.6
286.12869	0.5
296.11301	0.7
314.12430	2.0
332.13406	8.1
333.13538	0.3
407.28464	0.3
411.74567	0.3
422.18103	1.2
440.06281	0.6
440.19125	11.2
440.24622	0.8
440.33008	0.4
441.19257	0.5
459.86258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
53.66782	0.2
55.01673	0.2
55.01878	2.2
55.05503	1.1
55.72953	0.2
57.07067	0.3
59.04969	0.2
62.44999	0.2
67.05504	1.7
68.05036	0.2
69.03414	0.4
69.07072	2.1
70.03168	0.3
70.03557	0.5
70.06603	2.6
70.55225	0.2
70.92554	0.2
72.08150	0.5
73.02917	0.3
79.05492	1.5
80.05006	0.2
81.03407	0.2
81.07065	1.6
82.06566	0.3
82.07365	0.4
83.04990	0.2
83.08624	0.5
84.08160	1.2
85.02946	0.3
85.06564	0.4
86.09695	0.2
86.54982	0.2
91.05496	1.4
92.05846	0.2
93.07054	1.5
94.06577	0.4
95.04970	0.6
95.08606	1.5
96.08145	0.4
96.08932	0.4
97.02885	0.4
97.06543	0.7
97.10191	0.4
98.06065	0.2
98.06854	0.2
99.08064	0.2
100.07632	0.5
105.07047	1.7
106.07296	0.2
107.04948	0.2
107.08588	1.4
108.04460	0.3
108.08115	0.5
108.08905	0.4
109.02880	0.3
109.06535	0.3
109.10169	1.4
109.10807	0.2
110.10475	0.4
112.07576	0.4
113.49574	0.2
114.05547	0.5
116.07088	1.1
117.05718	0.2
117.07021	0.3
119.08587	1.8
120.08096	0.5
120.08891	0.4
121.06504	0.2
121.10170	1.1
122.06015	0.4
123.04531	0.2
123.08076	0.2
123.11716	0.4
124.07619	0.3
125.09616	0.3
126.09061	0.2
128.07060	0.8
129.07034	0.4
130.08633	1.3
131.08562	0.6
132.08064	0.2
133.10156	1.1
134.10521	0.3
135.08055	0.3
135.11725	0.4
136.12022	0.4
137.09598	0.5
140.07083	2.7
141.06924	0.3
142.07701	0.3
142.08667	0.2
143.08548	0.8
145.10121	0.9
146.06038	0.4
147.06784	0.3
147.10507	0.2
147.11700	0.5
148.07591	3.2
149.09642	0.6
150.05602	0.2
154.08652	1.0
155.08565	0.3
157.10139	0.8
159.08069	0.5
159.11703	0.5
160.07574	0.5
160.08925	0.2
160.11189	0.5
161.09648	0.2
161.13255	0.4
164.06990	0.2
165.09116	1.7
166.09453	0.8
167.10617	0.2
168.06592	2.4
169.10120	0.5
171.11726	0.6
172.12498	0.2
173.13260	0.4
174.05550	0.8
174.09169	0.2
175.11191	0.2
175.14836	0.3
176.15169	0.2
181.10139	0.3
182.08189	0.2
183.11771	0.3
187.14850	0.2
188.07068	0.2
189.16338	0.3
191.17877	0.4
192.18320	0.4
193.10118	0.3
197.13318	0.7
198.09180	0.8
199.08682	3.5
199.12445	0.3
200.07123	0.2
202.08595	0.3
203.09489	0.2
207.11621	0.4
210.09172	0.3
212.09418	0.7
212.16605	0.2
213.10324	1.2
214.11012	0.7
215.11835	0.9
216.10385	0.2
218.11671	0.2
221.13196	0.2
224.10767	0.3
225.10240	3.2
225.16354	0.3
226.08731	1.2
226.12474	0.2
227.08221	1.5
227.11780	1.6
233.15407	0.6
235.14748	0.3
238.08482	0.2
241.09752	0.7
241.13391	0.6
242.10533	0.8
243.11308	1.2
243.14944	0.3
251.11874	0.3
252.10135	0.9
254.10426	0.2
254.11742	0.2
255.11311	13.7
259.14746	0.2
263.17880	0.3
268.18622	0.2
269.09976	0.2
269.12845	3.9
270.11453	0.2
271.14420	0.4
279.11288	0.3
280.09692	0.4
287.14005	0.5
291.21017	0.2
297.12354	5.4
298.10834	0.2
315.13388	100.0
316.13763	1.6
330.20703	0.5
348.21667	0.4
378.27966	0.7
422.20676	0.2
422.26602	1.4
439.35703	0.2
440.21637	0.4
440.28162	1.1
440.36017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70440	2.3
51.77821	2.4
53.03947	4.6
55.05513	16.4
57.07070	5.4
57.40894	2.2
65.03957	2.5
67.05220	2.7
67.05509	28.3
69.03433	3.0
69.07065	18.7
71.00314	4.4
79.05504	17.1
81.03410	3.4
81.07063	53.6
83.04980	4.3
83.08614	10.0
85.02908	2.6
85.06522	4.0
91.05489	18.2
93.07051	42.1
95.05013	2.6
95.08611	100.0
97.06538	5.6
97.10162	3.1
99.08080	4.7
105.07044	42.4
107.08598	63.9
109.06512	8.6
109.09454	4.6
109.10157	58.5
111.08080	9.9
111.11700	2.3
116.07042	2.8
117.06984	4.8
119.08582	50.3
120.08076	2.3
121.06488	10.7
121.09324	3.7
121.10147	54.1
123.08086	12.6
123.11709	20.1
125.09634	4.6
128.06329	2.4
131.08586	13.7
133.10138	61.7
135.08061	8.8
135.11690	34.8
137.09631	6.8
137.13261	13.4
142.07808	3.1
143.08546	7.6
145.10115	21.5
147.08093	3.7
147.11690	44.2
149.09625	5.9
149.13275	25.5
151.14775	3.2
153.05504	4.7
156.09273	3.4
157.10118	17.6
158.10860	2.9
159.11693	20.0
160.12079	2.5
161.09573	6.7
161.13228	19.4
163.14853	13.3
165.09114	5.0
171.11732	9.9
173.13240	16.8
174.13870	2.6
175.11211	8.5
175.14854	16.8
177.16391	10.8
185.13249	6.7
187.14905	14.0
189.12762	5.0
189.16397	22.8
191.14278	3.5
191.17957	61.6
193.12259	8.7
199.14882	4.5
201.16418	9.6
203.14293	3.7
203.17978	34.8
205.15872	3.0
205.19595	6.9
213.16397	14.4
215.17973	3.4
217.15955	3.9
217.19534	16.2
219.17508	3.4
221.15341	5.4
229.19452	3.8
231.17470	23.0
235.16978	4.6
249.18507	41.4
259.20667	4.6
273.22070	3.7
337.28629	3.5
406.35626	2.2
421.34674	15.7
439.35754	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05518	11.8
57.03448	1.5
57.07064	4.5
65.03916	1.6
67.05512	27.4
68.99472	1.2
69.03418	3.2
69.07081	19.3
70.06590	1.9
70.09817	2.4
70.10224	4.8
70.81396	1.3
71.04958	1.4
79.05495	16.0
81.03443	1.6
81.07067	44.4
83.04985	2.3
83.08646	7.3
85.06548	2.8
91.05492	17.8
93.07053	40.4
93.30836	1.2
95.04971	4.7
95.08615	100.0
96.08913	1.4
97.02917	1.4
97.06526	4.7
97.10168	4.9
99.08079	1.6
105.07047	38.7
107.08604	62.8
108.05650	1.4
109.02924	2.1
109.06521	6.9
109.10171	48.5
111.08090	6.7
112.46693	1.4
117.07035	4.8
119.08590	53.5
121.06503	8.7
121.10157	55.7
123.08076	10.3
123.11713	20.9
125.06029	1.4
125.09618	3.7
127.07602	1.4
129.07007	3.1
130.07689	1.5
131.08572	13.0
133.10139	63.1
135.08075	9.3
135.11703	33.8
137.09633	4.4
137.13275	9.9
141.07065	1.2
141.09126	3.3
142.07819	2.6
143.08574	6.4
144.09348	3.3
145.10129	25.2
147.08107	3.0
147.11699	36.3
149.09601	6.5
149.13254	18.7
151.11201	1.7
153.05457	1.6
156.09346	3.2
157.10141	12.4
158.10951	1.9
159.11710	23.4
161.09639	5.6
161.13263	17.6
163.11214	2.1
163.14816	17.1
165.09091	2.9
165.12827	2.1
169.10201	1.9
169.99283	1.4
170.10857	1.4
171.11667	9.4
173.13292	20.9
175.11215	7.2
175.14861	13.7
177.16348	8.6
183.11641	4.1
185.13268	5.2
187.14850	12.5
189.12833	1.6
189.16391	21.4
191.14304	2.5
191.17970	53.5
193.12294	3.5
199.14871	4.9
201.16396	13.7
203.14343	3.3
203.17966	35.4
205.15976	2.4
205.19580	8.8
211.14813	1.8
213.16420	10.9
215.18036	3.5
217.15942	5.1
217.19521	14.3
219.13818	2.2
219.17590	3.1
221.15413	3.9
227.17912	2.5
229.15952	1.9
229.19514	2.3
231.17464	24.1
231.21085	2.6
235.16943	3.5
241.19528	2.7
243.21257	2.1
247.16884	2.2
249.18529	44.8
255.21164	2.3
273.22177	2.4
337.29150	1.8
381.31763	1.9
403.33469	3.3
421.34613	13.9
436.28110	1.8
439.35757	64.1
440.36310	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.5
56.81795	0.9
57.07068	4.5
60.34506	1.1
65.02293	1.0
65.03934	1.4
67.05508	20.3
69.06727	1.5
69.07072	18.9
69.23647	6.7
69.24073	3.6
70.06593	2.0
71.04993	1.8
72.08142	1.0
79.05493	15.9
81.07061	46.8
83.04996	2.1
83.08626	9.2
85.06539	1.7
91.05486	17.4
93.07052	40.2
95.04977	2.8
95.08611	100.0
97.06536	6.3
97.10197	5.9
99.08080	1.2
105.07037	39.7
107.08601	58.7
109.06535	7.8
109.10165	49.2
111.08083	5.5
111.11708	2.4
117.07043	4.7
119.06120	1.3
119.08586	51.6
120.08095	1.1
121.06512	8.7
121.10151	50.1
121.11031	2.5
123.08081	11.4
123.11717	18.2
125.09627	4.4
127.07490	1.6
129.07043	3.0
131.08572	13.6
133.10139	68.4
134.10423	1.1
134.91473	1.1
135.08063	11.4
135.11702	36.0
137.09592	6.3
137.13280	10.1
139.11212	1.2
141.09125	3.6
142.07793	3.0
143.08575	6.7
143.09529	1.2
144.09351	2.1
145.10130	20.5
147.08055	3.2
147.11687	39.8
149.09648	5.6
149.13283	22.4
149.14371	0.9
151.11214	1.6
151.14835	2.0
153.09129	1.8
154.08620	1.2
156.09375	3.2
157.10127	13.5
159.11693	23.0
160.08842	1.3
161.09688	5.7
161.13264	20.9
163.11183	3.3
163.14819	16.6
165.09190	2.9
169.10121	3.4
171.11697	9.7
173.13263	15.0
175.11205	10.5
175.14807	15.1
177.12799	2.6
177.16428	8.3
181.12270	1.3
183.11723	2.1
184.12616	1.3
185.13234	5.7
187.14845	11.6
189.12814	2.6
189.16391	21.2
191.14372	3.7
191.17958	64.8
193.12279	5.1
199.14807	5.2
201.16382	13.2
203.14325	3.4
203.17976	34.4
205.15895	2.8
205.19594	7.1
207.17453	2.7
211.14764	1.6
213.16444	12.3
215.17989	5.5
217.15932	3.7
217.19507	15.1
219.13821	2.3
219.17479	3.1
221.15436	4.1
221.18996	2.2
225.16490	2.1
227.17957	2.5
229.15822	1.4
229.19467	2.3
231.17453	25.0
231.21077	2.3
233.19131	1.8
235.17000	3.2
241.19662	1.3
241.46059	1.1
243.17574	1.3
245.22643	1.8
249.18515	45.5
269.22418	1.9
273.22195	2.0
277.21808	2.0
325.25613	1.1
337.29065	2.3
403.33795	1.7
406.01727	1.2
406.61288	1.2
421.34631	13.6
439.35779	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01863	1.8
55.05513	12.0
57.07082	2.6
59.69944	1.2
67.05514	24.4
69.03432	3.6
69.07073	15.4
70.06577	3.4
71.22425	1.5
71.22769	2.3
77.40138	1.4
78.57442	1.4
79.05489	16.5
81.07061	43.6
83.05016	1.9
83.08633	7.8
85.02903	2.2
85.06564	4.1
91.05482	16.5
93.07050	39.0
95.04961	2.9
95.08614	100.0
96.08215	1.7
96.08937	1.9
97.02881	1.7
97.06541	7.0
97.10184	6.0
99.08116	1.4
105.07039	36.7
107.08600	59.5
109.06546	7.7
109.10166	47.4
111.08099	6.7
111.11716	1.5
117.06982	3.2
119.08591	49.5
121.06528	9.7
121.10147	42.4
121.11025	2.1
123.08081	11.6
123.11684	16.4
125.09641	4.0
129.06999	2.8
131.08598	14.8
133.10139	71.6
135.08055	12.8
135.11693	32.8
137.09613	5.4
137.13289	9.0
141.09157	2.4
142.07791	3.8
143.08562	7.6
144.09311	1.8
145.10123	21.5
147.08032	2.3
147.11696	39.7
149.09647	5.3
149.13255	18.2
151.11176	2.4
157.10135	13.8
159.11711	23.1
160.12523	1.7
161.09641	5.4
161.13281	19.5
163.11148	2.1
163.14796	10.9
165.09129	5.3
165.12708	2.1
169.10101	2.3
171.11702	9.8
172.12503	1.6
173.13289	17.4
175.08635	1.4
175.11194	8.7
175.14842	15.8
177.12746	1.9
177.16391	6.5
183.11694	3.3
185.13271	5.5
185.56749	1.4
187.14827	10.9
189.12845	2.0
189.16379	21.5
190.31952	1.5
191.14279	3.0
191.17953	66.1
193.12273	6.5
197.13310	2.4
199.14844	3.4
201.16356	11.8
203.14485	2.4
203.17979	34.0
205.15988	2.9
205.19553	5.8
213.16396	14.3
215.17986	3.8
217.15955	5.0
217.19490	12.8
219.13811	2.6
219.17487	2.7
221.15401	4.3
225.16376	1.6
231.17455	27.5
235.16978	3.2
245.22670	1.6
247.16907	1.6
249.18501	47.7
253.19656	1.7
309.22174	1.6
337.29031	3.4
403.33545	1.5
421.34485	10.9
439.35739	58.4
440.28006	4.4
440.36041	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.1
53.03936	3.0
55.05299	1.0
55.05513	12.4
57.03440	1.3
57.07088	4.8
57.07315	0.9
59.04991	1.1
64.75333	1.0
65.03946	1.9
67.05182	1.3
67.05508	21.7
68.78179	0.9
69.03420	2.6
69.07070	18.6
79.05491	17.2
81.03431	1.2
81.07060	51.9
83.04981	3.3
83.08620	9.8
85.02917	1.9
85.06551	2.2
91.05476	19.3
93.06472	1.9
93.07048	37.9
95.04965	5.9
95.08611	100.0
97.06532	6.2
97.10181	5.6
98.21506	1.9
99.04414	1.4
99.08088	2.1
103.05413	1.6
105.07035	41.3
106.46759	1.1
107.08598	64.7
109.06534	7.9
109.10162	47.3
109.10921	1.6
111.08088	6.3
111.11710	1.5
115.05473	1.0
117.07035	4.6
119.08587	57.3
121.06509	7.6
121.10144	53.6
123.08078	10.6
123.11710	19.9
125.06066	0.9
125.09644	4.0
125.13246	1.0
129.07030	2.1
130.07745	1.1
131.08559	12.4
133.10135	69.4
135.08070	8.7
135.11693	39.5
137.09612	4.5
137.13266	11.9
141.09125	2.7
142.07800	2.6
143.08609	5.3
144.09357	1.5
145.10126	21.5
147.08070	2.5
147.11694	39.2
149.09642	6.1
149.12170	1.7
149.13271	19.0
151.11174	1.7
151.14879	1.5
153.09114	1.4
156.09344	1.7
157.10110	12.8
157.11105	1.1
158.10873	2.1
159.11693	21.8
160.12456	1.3
161.09596	3.3
161.13248	22.2
163.11205	3.1
163.14833	16.8
165.09177	2.7
165.12723	1.2
167.10692	1.8
169.10097	1.9
170.10982	1.6
171.11679	9.8
172.12405	1.4
173.13261	16.5
175.11172	11.6
175.14835	16.0
177.12738	2.5
177.16400	11.1
179.10712	1.1
183.11765	1.6
184.12485	1.3
185.13316	5.7
185.14690	1.0
187.14836	12.1
189.12811	2.1
189.16377	22.8
191.14322	3.3
191.17960	59.5
193.12292	4.2
197.13336	1.5
198.13936	1.2
199.14827	3.9
201.16377	12.0
203.14328	2.0
203.17961	34.8
205.15898	2.8
205.19528	7.0
207.17455	1.2
211.14767	1.5
213.16379	11.6
215.14377	1.7
215.17960	4.6
217.16075	5.2
217.19534	15.2
219.13898	3.6
219.17461	2.7
221.15408	4.3
221.19044	1.3
227.17926	2.5
229.15901	1.6
229.19547	1.8
231.17465	25.3
231.20929	2.3
235.16895	3.9
243.17569	1.8
243.20992	1.2
245.22752	1.6
247.17014	2.2
249.18512	46.9
255.21024	1.1
271.20648	1.4
273.22217	1.2
285.22226	1.2
337.28970	2.7
393.35114	1.7
403.33813	1.5
421.34729	13.8
429.79102	1.2
439.35715	66.1
440.36282	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
54.19536	1.2
55.05511	18.0
57.07065	4.2
59.04985	1.3
67.05207	1.6
67.05512	14.0
69.06719	2.0
69.07070	26.3
69.52116	9.6
71.08617	1.5
79.05499	5.0
81.07057	29.5
81.76790	1.1
83.04947	1.7
83.08609	12.3
89.06046	1.8
91.05471	6.7
93.07050	14.1
95.08611	45.6
97.06516	1.9
97.10172	17.5
99.04474	2.2
101.06022	4.0
105.07041	11.3
107.08603	19.6
109.10159	27.0
109.60750	1.3
111.11733	6.6
115.07558	1.8
117.07004	4.2
119.08593	17.4
121.10145	21.5
123.08051	2.7
123.11703	14.1
125.09678	1.6
125.13261	1.4
129.09064	1.6
130.47768	1.4
131.08592	9.1
131.61334	1.3
133.08630	1.2
133.10136	14.1
135.08080	2.6
135.11723	12.1
137.09642	1.9
137.13258	9.8
138.45430	1.2
143.08598	5.3
143.10674	2.6
145.10129	17.3
147.11684	11.7
149.09657	1.8
149.13269	4.9
153.09135	4.1
157.10139	6.7
159.11699	15.0
161.09604	1.8
161.13275	6.9
163.11194	1.9
163.14804	4.0
167.10675	2.6
171.11723	5.6
173.13258	14.2
175.14864	4.6
177.16365	2.5
179.17940	2.3
181.12213	2.6
183.11795	2.5
183.97197	1.3
185.13249	8.0
187.11182	2.2
187.14824	7.2
189.12823	1.7
189.16428	2.6
191.17932	8.7
195.13795	1.8
197.13179	1.4
199.14845	4.1
201.16418	5.6
203.18015	3.4
205.12297	1.9
205.19533	3.8
207.13785	1.4
209.13509	1.4
211.14838	1.7
213.12514	1.4
213.16415	3.0
215.17978	5.5
217.19536	5.3
219.13800	1.5
223.16920	4.5
227.14268	1.4
227.17894	4.1
229.16066	1.6
229.19432	7.6
231.13710	1.4
231.21007	2.3
233.15282	2.0
235.16939	1.5
241.16107	1.4
241.19611	2.5
243.13817	2.4
243.21062	6.6
245.15396	2.7
247.16936	3.4
255.21135	6.9
257.22678	4.2
259.16931	2.2
261.18451	2.9
269.22745	8.0
275.20151	5.0
283.24268	3.5
285.26028	1.6
287.20129	6.3
289.21783	1.8
295.24139	1.8
297.25818	8.0
301.21600	6.1
311.27249	6.0
315.23264	2.4
323.27264	2.5
325.25104	1.5
325.28867	1.9
327.07867	4.0
329.24841	2.6
338.29602	2.9
339.30563	4.0
341.24567	1.8
343.26285	3.0
355.26334	3.8
369.27942	5.7
381.27713	2.2
383.14053	2.7
383.29440	3.8
396.30295	4.6
397.30991	4.7
421.34760	2.3
439.35751	100.0
440.36185	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.53053	0.7
53.03925	0.8
55.05507	4.9
57.07072	1.7
59.05000	1.5
67.05506	7.8
69.03424	1.4
69.07066	5.9
71.40623	1.2
78.04001	0.7
79.05479	3.3
81.07063	11.5
83.04965	1.8
83.08611	2.2
86.09703	2.6
88.11230	0.8
89.06026	1.7
91.05473	2.3
92.86310	0.7
93.07063	7.6
95.04960	2.1
95.08613	57.6
97.06536	1.0
97.10186	1.0
105.07055	5.2
107.08600	10.7
109.06506	2.4
109.10159	12.2
111.08090	1.3
111.11740	1.4
119.08584	9.6
121.06517	1.7
121.10150	10.9
123.08070	4.3
123.11739	4.4
125.09624	1.3
131.08539	2.4
132.64655	0.8
133.08585	0.9
133.10156	9.9
135.08058	2.8
135.11700	7.0
137.09628	1.5
137.13269	3.1
139.11145	1.5
143.08589	1.7
145.10150	5.1
147.08075	1.2
147.11668	4.3
149.09641	7.4
149.13260	3.9
151.11220	1.2
155.08456	1.0
157.10156	2.6
159.11722	4.1
161.09631	1.5
161.13264	3.4
163.11221	1.7
163.14792	2.0
165.12762	0.7
171.11734	1.6
173.09583	1.2
173.13287	3.4
175.11192	1.7
175.14828	3.6
177.12776	2.0
177.16341	1.6
183.11641	0.9
185.13264	2.3
187.14848	2.3
189.12799	2.3
189.16444	7.3
191.18016	4.2
197.13275	0.7
199.14864	2.3
201.16461	1.9
203.17899	1.5
205.15901	1.4
205.19519	1.1
207.17441	1.3
211.14954	1.1
213.16460	1.8
215.14299	2.6
215.17957	2.4
217.15897	3.3
229.19530	1.1
231.17429	1.9
233.15352	1.2
233.19028	1.5
239.14883	1.1
240.15474	0.9
241.19466	1.3
243.17596	1.0
243.21179	2.0
245.18829	0.8
253.19176	0.8
255.21089	1.0
257.22504	1.2
259.20825	0.8
265.19513	1.0
271.20636	0.8
283.20538	0.9
283.24298	1.0
287.23724	2.9
301.21567	2.0
313.25327	1.1
327.26874	4.2
339.26804	0.8
357.27960	1.3
381.31604	2.0
403.33801	1.8
411.36490	1.1
421.34668	35.9
422.34830	1.6
439.35745	100.0
440.36078	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	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03921	1.7
55.05505	9.3
57.07070	4.1
65.37194	1.6
67.05504	15.5
69.07072	25.7
70.69453	4.6
70.69791	1.8
79.05502	11.7
81.07052	24.6
83.04971	2.1
83.08626	8.4
91.05482	13.3
93.07061	20.0
95.08614	31.3
97.10162	5.0
105.07050	24.0
107.08605	35.2
109.10165	42.7
111.11797	1.9
117.07004	6.4
119.08589	31.3
121.09315	3.4
121.10150	41.9
123.08105	2.2
123.11704	9.2
129.07057	2.0
131.08575	11.0
133.10153	21.6
135.08105	1.7
135.11703	16.0
137.13289	5.6
143.08551	4.7
145.10144	16.2
147.08051	3.3
147.11699	17.3
149.09569	4.3
149.13264	5.6
149.35666	1.6
151.11140	2.2
157.10135	8.0
158.46501	1.7
159.11694	16.4
161.09618	2.4
161.13307	17.7
163.14844	4.0
169.10123	3.1
171.11673	5.9
173.13255	17.0
174.36346	1.7
175.14861	12.1
177.12785	2.9
177.16426	3.1
179.14359	3.6
183.11757	3.6
185.13275	5.2
187.14792	13.9
189.12866	2.6
189.16458	8.8
191.14357	5.5
191.17931	3.6
195.11841	2.2
195.13806	2.6
197.13248	3.5
199.14844	5.5
201.16336	8.5
203.14380	2.3
203.17967	9.3
205.15901	5.4
205.19511	2.2
209.13344	2.5
211.14795	4.6
213.16475	4.4
215.18066	5.4
217.15942	3.7
217.19579	11.6
223.14978	3.1
225.16409	2.7
229.19531	5.6
235.14880	2.3
235.17000	6.4
237.16368	2.2
241.19669	2.1
243.21153	3.5
251.17841	2.8
253.19588	1.9
273.18616	2.4
285.22235	3.8
339.27258	2.3
359.64081	2.0
403.33624	4.2
421.34665	29.7
439.35745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.62269	1.2
55.05515	7.7
57.07070	2.6
59.05010	1.4
65.03951	1.4
65.21021	1.3
67.05513	15.6
69.07072	14.7
70.15557	1.3
71.06532	2.2
71.06870	1.3
77.32392	1.1
79.05493	8.1
81.07061	20.0
83.08624	5.1
91.05507	6.8
93.07069	16.5
95.04978	2.4
95.08610	24.7
97.10172	3.9
105.07030	15.4
107.08600	27.8
109.06492	2.1
109.09457	2.1
109.10169	31.5
111.08112	1.4
114.32536	1.2
117.07025	3.1
119.08598	21.3
121.10149	19.5
123.08081	1.8
123.11710	6.7
125.09592	1.4
129.07036	2.9
131.08557	7.0
133.10127	17.4
135.08043	6.9
135.11693	12.5
137.09663	1.3
137.13283	1.9
139.11244	2.1
141.07008	1.7
142.07799	1.5
143.08531	5.7
145.10129	10.4
147.11710	13.5
149.09624	2.4
149.13257	8.0
155.08553	3.6
156.09364	1.8
157.10158	9.6
159.11690	10.2
161.09634	2.9
161.13255	9.3
163.14861	5.1
169.10184	6.7
170.10954	2.2
171.11703	14.5
173.13287	11.3
175.11183	1.4
175.14873	8.6
177.16383	2.4
177.28166	1.4
179.14339	2.5
181.10164	1.9
182.10963	2.6
183.11725	7.8
185.13266	7.3
187.14807	6.6
189.16411	10.8
191.18036	2.5
195.11768	3.2
196.12502	1.3
197.13260	7.3
199.14833	4.9
201.16370	4.8
203.14458	1.6
203.17992	2.9
207.17447	8.2
209.13286	5.8
210.14125	2.0
211.14864	2.9
213.16379	4.6
215.17952	4.3
217.15919	4.8
219.17500	1.5
223.14827	3.3
224.15654	3.4
225.16426	5.0
227.18106	3.3
229.19502	2.7
237.16400	3.3
238.17186	1.3
239.17943	8.9
241.19521	2.3
243.21028	1.8
244.58522	1.2
251.18086	1.7
253.19550	3.1
255.21080	2.2
257.19022	4.4
259.20486	1.9
265.19589	2.0
267.21014	2.7
271.20676	2.8
279.21252	1.3
281.22705	2.6
285.22128	2.8
307.95718	1.2
321.25681	1.5
339.26703	7.5
357.28018	1.8
403.33786	9.1
410.14310	1.1
421.34686	34.7
439.35748	100.0
440.36337	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.42880	1.7
55.05515	15.3
57.07079	12.6
60.72186	1.5
67.05510	29.3
69.07076	22.7
71.08622	5.1
72.08939	1.8
72.96577	1.5
74.63567	1.5
79.05494	10.5
81.07063	85.5
81.89554	1.5
83.04977	3.4
83.08626	14.8
87.85579	1.5
89.06029	5.2
91.05483	9.0
93.07044	22.5
95.08614	100.0
97.06554	1.7
97.10168	6.6
98.21524	3.5
99.08112	1.8
105.07031	17.3
107.08591	24.6
109.06525	3.6
109.09460	3.2
109.10165	47.6
110.10436	2.2
115.05470	2.0
117.07045	2.9
119.08588	17.7
121.10166	16.8
123.08102	2.1
123.11720	33.9
125.09634	2.3
129.07030	3.6
131.08588	10.9
133.08607	4.1
133.10156	12.9
135.11700	11.4
137.13271	58.6
143.08623	4.4
145.10136	16.6
147.11693	10.8
147.47108	1.6
149.13298	9.1
151.14806	5.3
157.10144	4.9
159.11722	9.9
161.13234	8.3
163.14825	5.6
165.09114	2.3
169.10109	2.6
171.11674	8.9
173.13297	10.1
175.11095	1.8
175.14844	7.4
177.12672	1.8
177.16386	5.2
179.17975	8.1
183.11691	2.6
185.13225	7.4
187.14822	10.3
189.16388	6.4
191.17918	6.3
197.13101	2.8
199.14859	8.9
199.16579	1.5
201.16382	7.7
203.17894	5.5
205.19635	2.0
213.16426	11.8
215.17946	9.4
219.13687	2.0
227.17950	5.2
229.19524	2.9
231.17453	2.4
233.15482	2.2
239.14896	2.3
241.19502	6.4
243.21069	6.5
245.15388	4.3
255.21065	5.8
257.22720	1.8
259.16934	10.2
264.46008	1.9
269.22714	7.1
287.20041	2.1
297.26022	2.5
383.29364	1.9
393.35178	21.1
402.83682	2.0
403.34323	3.8
421.35379	7.8
422.35425	3.3
439.30508	2.6
439.35855	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03953	2.1
55.05513	16.8
57.07074	5.9
59.04988	3.2
67.05509	16.6
69.07069	28.7
70.96507	4.6
71.04992	2.1
71.08624	4.0
79.05482	11.4
81.07063	39.5
83.05021	2.6
83.08619	12.9
89.06040	7.0
91.05472	9.9
93.07045	15.9
95.04958	2.4
95.08617	49.4
97.06555	2.7
97.10170	15.3
99.08068	2.4
101.06012	4.0
105.07048	17.4
105.96310	2.0
107.08602	27.5
109.10165	32.3
111.11733	7.6
115.07528	2.5
117.07019	6.0
119.08580	23.1
121.10155	22.0
123.11728	14.1
131.08604	11.1
133.08612	3.9
133.10129	15.9
135.08078	4.0
135.11696	14.4
137.13266	9.6
143.08611	3.8
143.10727	3.2
145.10150	17.5
147.11679	16.5
149.13289	5.0
151.14864	1.9
153.09119	3.3
157.10162	5.6
159.11725	15.9
161.09689	2.3
161.13277	5.4
163.14832	3.6
170.10770	2.0
171.11745	7.7
173.13287	14.6
175.14824	5.9
177.16417	4.6
181.12323	2.3
182.04526	1.9
183.11755	3.9
185.13298	6.6
187.11212	3.7
187.14859	7.7
189.16367	3.4
191.17996	5.4
199.14832	5.6
201.12924	1.9
201.16451	8.1
203.18091	3.2
205.12267	2.6
205.19533	2.8
213.16449	4.4
215.18022	6.7
217.19585	4.7
223.17010	3.7
227.17990	3.1
229.19583	6.4
239.14931	3.4
240.15092	3.8
241.19591	5.1
243.21164	6.2
245.15384	3.5
247.17027	2.7
255.21144	7.0
257.22696	4.2
261.18497	1.9
269.19614	1.8
269.22739	6.3
275.20178	3.2
283.24304	2.9
287.20105	6.4
297.25943	7.1
301.21692	6.5
305.22354	2.1
311.27386	6.5
323.27554	3.0
325.29019	2.3
329.24991	3.5
337.28934	2.0
339.30472	4.9
341.24808	2.2
355.26376	3.9
369.27982	6.0
383.29648	3.1
396.30402	2.2
397.31052	4.5
421.34683	5.2
439.35809	100.0
440.36154	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01860	2.9
55.05516	15.9
57.03438	2.8
57.07062	5.3
63.01526	2.2
67.05509	29.8
69.03424	6.1
69.07072	22.0
70.06589	5.2
71.05018	2.5
71.55599	3.2
72.08158	3.1
77.03934	2.6
77.87341	2.2
79.05495	21.2
81.03431	4.5
81.07059	58.8
83.04963	3.8
83.08613	8.5
84.08139	2.7
85.02895	5.2
85.06551	4.6
86.06103	2.2
91.05487	22.1
93.07047	48.4
95.04968	7.9
95.08617	100.0
97.02899	3.7
97.06536	10.2
97.10141	5.7
99.08089	3.7
102.32861	2.5
105.06410	2.4
105.07046	42.1
107.08607	58.1
109.06508	9.8
109.10164	48.8
111.08082	3.2
111.11702	2.1
117.07001	7.3
119.08587	54.2
121.06499	9.1
121.10162	50.5
123.08064	13.9
123.11697	21.4
125.09605	5.0
127.03943	2.8
128.07048	3.1
129.07040	4.5
131.08591	15.2
133.10135	71.4
135.08032	9.7
135.11697	34.6
137.05963	2.8
137.09610	5.7
137.13228	9.9
141.65237	2.2
143.08565	11.7
144.09378	2.5
145.10120	22.8
147.08084	3.7
147.11690	38.3
149.09627	8.1
149.13289	17.7
154.08649	4.1
156.09386	3.9
157.10143	13.5
159.11690	24.0
161.09608	4.9
161.13246	27.7
163.14839	14.6
165.09120	10.1
169.10136	3.6
171.11740	13.5
173.11905	2.9
173.13239	19.2
175.11211	8.2
175.14818	16.2
177.16383	10.4
183.11641	4.2
185.13222	6.5
186.15036	2.5
187.14822	12.9
189.12776	4.1
189.16389	19.1
191.10732	3.3
191.14346	6.0
191.17960	57.9
193.12242	4.9
195.11632	2.8
197.13289	2.5
197.42393	2.1
199.14780	5.0
201.16400	11.7
203.14226	4.4
203.17999	34.2
205.12407	2.5
205.15846	3.1
205.19499	7.5
209.13371	2.6
211.14780	2.3
212.80087	2.2
213.16417	11.5
215.14287	2.2
215.17952	3.8
217.15871	8.4
217.19455	13.1
221.15320	4.0
225.16382	2.9
227.17853	2.2
231.17468	18.6
231.20993	3.0
233.15324	3.2
235.16890	5.4
241.19354	2.3
249.18517	39.2
299.27216	2.3
315.13535	10.4
330.20786	2.3
337.28934	3.4
409.34885	2.3
413.35922	2.3
421.34799	16.1
439.23975	3.5
439.35794	62.2
440.28027	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	439.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.3
55.22422	3.1
57.07079	100.0
59.04748	3.6
59.05009	34.4
67.05509	7.7
69.07063	15.7
71.08637	90.8
71.57207	5.6
79.05485	5.9
81.07068	15.6
83.08633	7.3
85.10184	88.7
89.06028	15.2
90.01914	9.6
93.07037	9.1
95.08611	22.5
97.10178	6.8
99.11730	17.4
104.61569	3.1
105.07027	9.4
107.08616	12.9
109.10147	14.1
113.13247	4.2
113.57681	3.3
117.09139	12.3
119.08569	6.7
121.10153	14.6
123.11707	4.9
131.08594	5.0
133.08612	9.2
133.10144	6.3
135.08081	4.9
135.11656	9.2
137.13283	3.8
141.05492	3.9
145.10126	9.2
147.11710	4.3
155.17999	6.5
159.11754	6.8
161.13293	5.5
171.31262	3.7
173.13358	4.2
182.52087	3.2
201.16345	4.5
213.22083	7.4
239.14951	7.1
240.15204	6.4
301.21149	3.3
372.13025	3.4
406.32703	3.3
421.34930	6.2
425.26483	5.4
431.24802	3.3
439.20010	4.4
439.35873	27.1
440.29068	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	439.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79813	3.1
53.03936	5.8
55.01865	3.9
55.05506	10.2
56.02895	3.2
57.03419	7.0
57.07072	4.2
57.60022	4.0
61.02927	4.8
67.05508	11.7
68.00363	3.6
69.03437	32.8
69.07066	14.7
70.06598	58.8
71.04989	10.3
71.55177	5.0
72.08164	16.8
72.37019	3.0
73.02931	5.4
79.05479	12.4
81.03426	31.9
81.07075	24.6
83.04964	9.6
83.08623	4.8
84.08132	11.6
85.02499	3.8
85.02916	42.0
85.06552	16.5
86.09719	4.7
87.00807	10.1
91.05488	20.1
93.07038	12.9
94.69838	3.9
95.04960	12.6
95.08616	15.4
97.02903	31.7
97.06545	7.5
99.04433	9.3
99.08095	11.2
105.01858	5.1
105.07040	36.6
107.04988	3.1
107.08605	18.2
109.02872	25.2
109.06533	9.2
109.10129	11.2
116.07008	3.6
117.07013	6.2
118.68357	3.9
119.04906	3.8
119.08581	51.3
120.01760	3.7
121.06500	4.4
121.10121	18.6
123.08092	9.1
125.09620	8.1
127.03922	38.6
129.06982	4.1
131.08585	37.3
133.10120	34.0
135.04478	4.2
135.08034	11.5
135.11685	6.8
136.06203	10.3
136.07600	25.1
137.09637	5.9
138.09059	4.0
143.08617	6.3
145.04958	12.1
145.10100	14.2
147.04393	6.0
147.11665	13.3
149.06042	5.5
149.09619	15.6
149.13249	7.8
150.10440	4.3
151.07446	4.9
152.07033	4.9
156.09502	4.3
159.02876	5.7
159.07994	4.1
159.11696	4.3
162.05444	10.5
163.03979	4.1
163.08632	6.1
163.11226	3.3
163.14828	6.8
164.07076	19.4
165.12788	4.4
171.11694	4.8
173.11778	6.5
173.13263	58.2
175.14836	100.0
175.16293	7.2
177.05522	7.3
181.09773	8.7
189.12692	7.4
191.14325	58.4
202.40930	3.4
203.14148	4.1
207.13655	4.1
209.15385	6.3
231.04974	8.2
259.20511	10.2
261.11398	4.1
282.09644	4.7
286.12735	4.2
299.16629	5.3
369.45352	3.7
393.18045	4.8
403.12112	3.5
403.17477	6.9
421.18634	7.0
439.06216	3.8
439.19257	5.8
439.24329	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	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25787	5.1
53.03923	8.4
55.01867	11.5
55.05505	14.5
57.03426	9.5
67.05515	35.4
68.99789	8.3
69.03436	36.0
69.07047	16.6
70.06597	9.0
70.68498	7.2
70.68839	11.7
71.04982	13.0
72.08147	10.2
73.02898	5.8
79.05487	21.1
81.03405	38.1
81.07052	26.6
83.04973	14.7
83.08559	4.4
85.02914	41.2
87.00822	16.5
91.05481	26.4
93.07043	23.4
95.04980	65.4
95.08598	22.3
95.14194	5.0
97.02898	55.1
97.06553	12.9
99.04451	20.2
100.86768	5.8
103.03950	5.6
105.07044	43.0
107.04959	17.2
107.08604	32.9
109.02896	33.8
109.06518	23.7
109.10168	100.0
111.04437	10.9
113.02337	5.5
113.04489	5.4
117.07005	12.0
119.04983	6.3
119.08584	57.2
120.43227	4.3
121.06504	14.3
121.10148	20.9
123.08046	13.8
125.09515	5.9
127.03919	39.8
127.74502	4.6
129.01817	5.0
129.06998	19.1
131.08549	40.8
133.06502	7.5
133.10129	39.7
135.04417	18.1
135.08069	23.6
135.11703	6.5
137.05962	12.6
145.04929	9.2
145.10115	22.4
147.08046	12.6
147.11685	24.7
149.05981	10.6
149.09625	15.4
150.10352	6.9
151.07515	31.5
153.09157	8.9
155.08611	5.6
157.06474	6.0
157.10056	8.4
159.08018	7.1
159.11777	6.4
161.05977	9.3
161.13260	5.8
163.07533	9.7
163.11169	6.5
163.14790	7.1
173.13251	50.7
175.07538	16.6
175.14830	77.6
177.09105	12.9
179.07027	12.4
185.04497	5.1
185.05952	39.1
189.09013	8.9
189.12712	6.6
191.07156	6.9
191.14305	74.4
201.09137	34.4
203.07086	18.1
207.13802	7.6
209.15414	15.8
215.14340	5.5
217.08517	6.4
231.05034	8.3
233.15376	15.6
243.10146	46.7
261.11246	7.7
271.16818	5.5
279.12418	5.4
299.16312	16.1
307.08017	6.9
317.17447	10.3
365.12192	10.6
421.18808	29.4
439.19308	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	439.143
Annotation	Shogasulfonic acid A
Peak:m/z	Relative Intensity
51.13191	0.5
60.76796	0.5
64.86189	0.6
70.31166	0.9
70.31559	1.0
70.81185	0.4
82.36363	0.5
82.48719	0.5
83.01629	0.5
92.40503	0.5
96.92251	1.1
111.26472	0.5
112.89632	0.8
114.89361	0.7
133.03506	3.2
140.70549	0.5
175.04578	1.3
187.04620	0.6
199.04628	0.6
201.06146	1.2
211.04445	0.7
217.05579	0.9
277.08997	27.6
295.08783	3.6
295.11664	0.7
347.09647	0.5
379.11255	1.2
439.14261	100.0
440.14374	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	438.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62934	1.8
53.00875	1.6
55.01865	5.2
56.05038	10.5
57.03447	2.4
58.99335	1.8
58.99588	13.2
60.04524	2.5
61.01134	3.5
67.05508	2.5
68.05019	4.9
69.03447	1.7
69.07076	2.5
70.02173	6.6
70.02956	4.8
70.06581	5.7
70.22945	1.6
71.05006	2.3
72.04511	6.6
74.00665	16.8
74.02444	2.0
76.02235	21.9
76.04006	9.1
80.05005	5.0
82.06630	2.7
83.06091	5.8
84.04513	97.3
84.08125	4.5
85.01139	34.6
85.02918	5.2
85.04020	3.1
86.00655	30.5
86.06082	4.6
86.09708	4.5
86.98528	3.7
86.99062	59.4
87.02653	2.3
88.02209	3.6
89.00620	2.3
95.02486	2.1
95.04958	3.2
96.04501	3.8
97.01125	7.9
97.06542	15.2
98.00609	1.7
98.06091	3.6
99.05514	2.1
100.02213	5.4
102.00101	2.0
102.03774	20.1
102.05540	12.7
108.04489	5.7
109.07667	4.5
109.29585	1.7
110.07172	8.5
112.02205	32.7
112.03999	3.5
113.00575	2.3
113.06026	2.7
114.00124	2.3
114.03762	11.4
114.05552	4.7
116.01687	26.5
124.02219	2.2
126.03754	3.7
127.02166	5.3
129.06606	4.6
130.03265	14.7
130.05013	26.5
131.04544	2.8
132.01218	2.5
137.08372	4.7
140.01665	4.3
142.03223	21.3
143.02760	31.7
144.01138	8.1
144.04738	2.5
145.06114	4.3
153.06624	3.1
155.08177	5.5
158.02740	8.2
162.02220	13.9
168.04890	3.0
168.06529	2.4
169.04329	6.3
169.64900	1.9
170.02769	2.6
170.06339	7.3
171.02208	5.9
172.08014	2.2
177.03304	6.9
179.04878	9.4
181.06096	3.0
184.06087	2.5
188.03862	2.1
188.07394	7.3
189.03307	100.0
196.04294	9.0
199.05437	2.6
199.07164	2.4
201.08800	2.1
205.06438	7.5
206.08551	3.5
215.04863	41.3
217.06493	12.3
224.03842	4.0
233.05922	12.4
241.06541	3.3
245.05981	2.8
257.09683	4.6
269.05972	2.2
287.07025	12.9
291.10129	30.0
291.13153	3.5
299.07086	3.3
345.07410	3.6
345.11249	3.5
362.10172	5.4
392.33035	2.1
420.14276	3.0
438.14929	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.6
55.01864	10.9
55.05505	5.4
57.03442	17.3
61.02917	16.6
65.03955	4.2
67.05506	95.1
69.03429	38.8
69.07054	8.3
70.06598	13.3
71.01350	4.5
71.05000	2.8
71.55819	3.2
71.67390	2.8
72.08145	10.5
73.02921	78.0
74.10417	2.4
79.05485	6.0
81.03412	9.3
81.07060	16.9
84.08164	3.8
85.02905	75.3
86.09706	10.1
87.04459	4.8
91.03970	3.5
91.05472	9.3
91.89922	2.5
93.07035	7.5
95.04975	4.2
95.08588	7.5
97.02282	4.4
97.02892	58.6
99.04446	7.7
103.03875	2.5
105.07043	6.6
107.04962	3.9
107.08601	7.9
109.02872	7.8
109.10160	100.0
111.08094	2.9
115.03922	23.3
119.08595	5.9
121.10148	6.5
123.04402	3.1
123.11741	3.6
127.03898	30.0
131.08557	3.6
133.04962	29.4
133.10176	5.2
135.04430	2.9
141.19275	2.6
145.04971	33.6
145.06081	3.7
145.06537	2.5
145.10094	3.7
146.09209	2.8
147.04448	3.0
147.08049	2.6
147.11621	3.6
149.09654	4.8
150.07460	3.2
151.12192	2.6
163.03941	5.0
163.05978	15.2
191.14265	3.1
193.12163	2.9
196.79227	2.7
211.66129	2.5
223.06000	7.4
241.07088	9.3
241.14299	3.1
241.29395	3.1
244.03191	3.6
259.08221	9.5
262.17981	3.8
263.18402	9.4
276.05695	3.8
282.14484	6.7
313.11856	2.6
438.29343	7.3
438.34546	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	437.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63824	3.9
53.03920	4.1
55.01868	8.0
55.05516	34.3
57.07093	27.0
67.05524	30.0
69.07076	58.7
69.53488	27.5
70.45565	4.4
71.08636	13.1
79.05498	19.1
81.03462	4.3
81.07065	86.9
83.04980	17.8
83.08612	24.0
85.06597	5.6
85.10191	10.9
89.06034	7.9
91.05474	15.3
93.07072	27.6
95.04970	10.1
95.08615	73.8
97.10184	22.0
105.07034	29.9
107.08620	33.2
109.06516	17.0
109.10176	44.0
111.08099	5.3
111.11713	16.9
119.08604	30.7
121.06506	4.5
121.10153	20.9
123.08053	6.1
123.11724	21.4
125.06008	36.3
127.03920	14.4
131.08565	15.7
133.10118	28.5
135.08035	7.1
135.11699	20.6
137.06000	100.0
137.13264	14.5
143.08569	4.9
145.10161	22.3
147.11676	16.0
149.09659	7.3
149.13248	6.9
157.10158	18.4
159.08101	4.4
159.11719	17.8
161.09660	7.3
161.13298	18.8
163.14870	8.5
165.09192	6.2
169.10265	5.4
171.11703	10.6
173.09712	6.4
173.13286	12.5
175.11238	10.0
175.14871	6.1
177.12756	6.5
177.16389	5.0
179.10634	8.5
183.11713	7.2
185.13295	8.1
186.14188	4.2
187.11176	6.3
187.14923	5.9
189.12837	8.9
189.16505	5.5
191.10667	6.0
191.17937	4.1
193.12263	17.6
197.13231	10.5
199.14859	10.3
201.16431	9.9
203.17943	7.4
205.12247	8.1
207.13802	10.8
211.14935	5.8
215.14441	8.0
221.13388	6.1
223.14899	4.6
225.16397	6.4
229.12160	5.3
229.15961	5.2
229.19418	6.4
233.15379	7.4
235.16885	5.5
269.22690	6.6
275.20172	7.4
377.32034	6.7
383.33087	10.1
387.32248	4.5
401.33908	16.9
419.33688	20.8
423.40491	5.5
437.34140	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75825	1.9
53.03945	3.1
55.01874	2.8
55.05513	25.0
57.03438	3.2
57.06829	2.3
57.07080	38.6
67.05521	10.5
69.07072	56.8
70.72652	1.8
70.72967	3.2
71.08634	26.3
79.05511	4.7
81.07066	17.6
82.41393	1.9
83.04990	12.1
83.08624	37.2
85.06543	2.4
85.10191	14.0
91.05494	4.4
91.80315	1.6
93.07053	7.4
95.08616	24.6
96.34456	1.9
97.06545	4.9
97.10178	32.4
98.20992	2.1
99.04459	27.3
105.07011	6.3
107.08633	9.5
109.06532	3.0
109.10152	13.9
111.04457	19.1
111.08060	2.5
111.11747	18.9
114.63257	1.8
119.08585	8.1
121.10151	7.2
123.08080	5.8
123.11726	5.5
125.06034	2.8
125.13280	6.4
127.07567	2.3
129.05479	7.0
133.10146	5.4
135.08118	1.9
135.11697	5.9
137.05998	2.2
137.13281	3.5
139.07617	2.4
139.14842	3.0
141.04485	2.3
141.05424	10.6
145.10165	3.8
147.11728	4.3
149.13205	3.7
151.07568	8.8
153.05463	18.9
159.11743	1.7
162.90916	1.7
163.11064	2.3
165.09120	2.3
165.12698	2.5
167.12605	1.8
171.06532	7.0
175.14828	4.5
177.16473	2.0
179.10722	3.2
193.12233	3.9
224.65562	2.3
278.41537	2.2
301.28937	5.5
311.27179	2.3
313.12418	1.7
319.29883	3.6
321.31711	2.0
329.28363	14.0
331.33478	3.0
343.81094	2.2
347.29465	100.0
348.29932	2.9
377.34012	4.3
401.34149	5.5
413.10336	2.2
419.35257	43.5
441.22241	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	437.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01857	1.7
55.05515	15.3
57.03434	2.2
57.07078	7.7
59.61276	1.2
65.03949	1.4
67.05232	1.2
67.05511	15.2
68.05802	1.6
69.03394	1.6
69.07069	21.5
71.08623	4.0
72.05074	1.1
79.05493	6.0
81.06584	1.6
81.07061	22.8
83.04986	16.3
83.08629	10.3
85.06538	1.7
85.10174	2.3
91.05485	8.9
93.07053	21.6
95.04965	2.4
95.08609	27.3
97.06540	1.7
97.10172	5.6
105.07040	8.6
107.08604	9.2
109.06516	8.4
109.10168	14.5
111.08084	7.9
111.11726	3.5
119.08591	8.3
121.06502	1.5
121.10150	8.9
123.08089	4.5
123.11742	6.9
125.05999	3.9
125.09618	1.4
127.07574	1.5
131.08588	4.8
133.10141	6.2
135.08044	3.9
135.11670	3.3
137.05983	25.9
137.09642	3.1
137.13231	2.7
139.07515	8.9
143.08585	2.6
145.10152	4.3
147.08066	1.8
147.11655	5.2
149.09618	3.8
149.13249	3.4
151.07562	5.0
151.11174	1.6
153.09038	6.4
155.07033	3.5
157.10107	3.0
159.11720	4.5
161.09651	4.2
161.13228	3.8
163.11147	2.9
163.14812	1.8
165.09137	4.8
167.10785	2.5
171.11754	3.4
173.13252	2.2
175.11215	3.6
175.14847	2.0
177.12756	2.6
179.10666	4.8
181.12273	1.9
183.11778	2.0
185.13303	1.8
187.11234	3.6
187.14734	1.7
189.12778	4.4
189.16409	1.5
193.12297	3.4
195.13727	1.9
197.13254	1.2
201.16374	1.3
203.14252	1.7
207.13870	3.5
209.15335	1.4
213.16373	1.6
215.74142	1.3
217.19591	1.4
221.15276	1.8
235.16791	1.3
245.59712	1.2
383.32880	2.1
401.34177	28.2
419.35260	100.0
420.35587	4.0
437.12460	2.3
437.34134	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	437.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
55.01876	10.2
55.05515	17.9
57.07079	11.5
64.28175	1.4
65.03978	1.3
67.05513	13.8
69.03438	9.9
69.07076	5.2
71.08643	6.7
79.05496	8.2
79.64083	1.3
81.03423	22.4
81.07061	5.8
83.05009	2.1
83.08620	3.5
85.10176	4.5
86.09717	3.9
93.07041	4.0
95.04974	9.5
95.08601	4.5
97.06545	1.8
97.10154	2.0
99.00823	25.7
99.04449	1.5
104.75154	1.3
105.07056	2.3
107.04948	6.8
107.08567	4.0
109.02891	42.6
109.06496	1.9
109.10169	2.0
111.04472	2.0
113.02376	2.9
117.01874	10.6
117.54625	1.2
119.08608	1.8
121.06484	1.6
121.10201	2.5
121.30325	1.3
123.04423	7.4
125.06023	3.9
127.03925	86.2
133.08556	1.6
133.10106	1.6
135.04448	3.4
141.05466	40.5
145.10106	1.7
147.11734	1.3
153.05479	21.2
159.06541	2.9
171.06543	36.7
213.11261	2.8
231.90855	1.3
239.15047	1.3
241.14400	2.9
250.72580	1.4
255.16122	1.9
276.41486	1.3
297.20547	2.4
311.22311	2.1
377.43362	1.3
419.35101	2.7
424.82092	1.3
437.36304	100.0
438.37039	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	437.3627
Annotation	5beta-Cholestane-3alpha,7alpha,12alpha,24-tetrol
Peak:m/z	Relative Intensity
55.05259	1.8
55.05514	21.9
57.07080	8.0
65.03957	1.3
67.05504	11.2
69.03406	1.2
69.06725	2.2
69.07072	28.9
69.57536	1.2
69.63497	7.1
71.08630	4.3
79.05482	4.4
81.07061	23.5
82.82014	1.4
83.04989	24.2
83.08627	16.4
85.10194	2.6
91.05488	7.7
93.07040	13.2
95.04972	1.7
95.08611	22.7
97.06529	2.1
97.10178	8.6
98.21443	2.4
105.07022	7.5
107.08576	9.5
109.06517	10.6
109.10161	11.9
111.08086	5.2
111.11716	5.8
117.07064	1.5
119.08600	7.7
121.06505	2.1
121.10140	6.0
123.08073	4.7
123.11713	4.4
125.06019	3.8
131.08568	3.8
133.10121	4.1
135.08076	5.4
135.11671	3.1
137.05989	47.0
137.09584	1.8
137.13297	2.8
139.07550	4.6
145.10133	4.5
147.11717	5.5
149.09662	2.8
149.13254	2.7
151.07561	9.3
151.11136	2.7
151.14784	1.6
153.09067	1.5
155.07030	5.3
155.84564	1.2
157.10144	2.5
159.11702	4.0
161.09642	5.9
161.13260	3.8
163.11218	1.8
164.48410	1.2
165.09109	4.8
169.10147	1.5
171.11670	2.5
173.09689	1.5
173.13266	1.9
175.11174	4.7
177.12796	2.5
179.10678	4.8
181.12221	1.7
183.11705	1.4
185.13249	1.2
187.11189	3.5
189.12787	6.7
189.16295	1.4
191.10713	1.4
191.14391	1.1
193.12291	3.8
195.13786	1.5
201.12862	1.2
201.16371	1.3
203.14337	1.1
205.12268	2.1
207.13898	2.5
213.16335	1.3
221.15298	1.6
229.15947	1.2
263.20010	2.2
275.20087	1.6
295.42645	1.2
297.93805	1.2
373.34479	1.4
383.33298	3.3
401.34164	27.9
419.35223	100.0
437.36407	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	437.3629
Annotation	5beta-Cholestane-3alpha,7alpha,12alpha,24-tetrol
Peak:m/z	Relative Intensity
53.03956	3.0
55.01875	1.3
55.05515	25.6
57.07075	12.6
57.28948	1.3
61.50655	1.1
67.05504	16.8
69.03423	3.7
69.07075	47.2
69.52624	1.2
69.52937	9.8
69.93298	1.1
70.77522	1.2
71.08640	7.5
79.05501	7.5
81.07060	37.6
83.01342	13.6
83.01801	1.6
83.04990	2.7
83.08627	23.2
85.02906	6.3
85.06539	4.0
85.10183	3.4
89.06048	2.6
91.05476	5.1
93.07031	12.9
94.95007	1.4
95.04990	2.9
95.08610	38.5
97.06535	4.2
97.10171	15.2
98.20746	2.2
99.04495	2.1
99.08107	1.5
105.07018	9.1
107.08602	12.8
109.06522	13.3
109.10167	24.1
111.08079	3.6
111.11723	7.3
113.06059	2.2
119.08584	11.3
121.06539	2.1
121.10165	10.6
123.08098	11.9
123.11738	12.6
125.05992	24.9
125.09639	2.2
125.13325	1.6
131.08556	4.5
133.10147	7.7
135.08092	5.4
135.11676	6.6
137.05978	18.8
137.09651	4.5
137.13272	5.4
137.41858	1.3
139.07541	19.8
143.08582	1.9
144.18460	1.4
145.10201	4.9
147.11732	5.4
148.17563	1.4
149.09625	4.8
149.13255	2.7
151.07549	15.7
151.11273	2.0
153.09180	2.7
156.09547	1.3
157.10175	1.8
157.87013	1.3
159.11723	6.2
161.09676	3.4
161.13347	4.6
163.11183	2.7
163.14897	2.3
165.09175	5.9
165.12784	3.2
167.10695	3.3
171.11745	2.5
173.13293	2.8
175.11296	3.2
175.14914	2.2
177.11362	1.3
177.12811	4.3
179.10677	9.0
179.14351	2.0
179.17955	1.4
181.12317	5.2
185.13268	1.3
187.14853	1.9
189.12807	3.6
191.10809	1.7
191.14375	1.9
193.12230	12.9
195.13858	6.4
197.13585	1.7
203.17926	1.7
205.12283	6.4
207.13794	10.0
209.15474	1.6
219.13760	1.7
221.15454	4.8
229.15930	1.7
233.15317	1.5
235.17000	3.4
249.18610	3.2
251.20213	1.5
263.20074	6.2
265.21552	2.0
267.70645	1.4
272.11469	1.3
275.20203	3.5
277.21600	2.3
291.23462	1.8
305.24719	1.9
319.26495	2.0
333.28015	1.7
373.34659	2.1
383.33194	3.2
401.34167	50.5
402.34799	1.4
419.35226	100.0
420.35599	3.2
437.36346	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	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	2.1
53.03952	12.0
55.01878	19.2
55.05304	2.2
55.05515	26.8
56.78436	2.4
57.03428	5.7
61.02932	4.9
65.03937	2.4
67.05176	3.4
67.05511	58.6
69.03436	17.5
69.07071	36.5
70.79828	2.0
71.04993	6.7
71.35225	3.6
72.08137	3.6
79.05503	42.8
81.02977	3.4
81.03423	37.9
81.07061	78.8
83.04964	6.5
83.08629	10.9
85.02914	23.5
85.06532	3.2
87.03897	2.6
87.86735	2.0
91.05489	67.2
93.07046	53.2
94.95923	2.0
95.01324	8.2
95.04965	16.2
95.08611	52.0
97.02885	11.3
97.06537	31.2
97.10139	5.0
99.04462	7.6
99.08092	3.0
103.05483	4.2
103.89624	2.1
105.07037	92.1
107.04971	19.3
107.08604	29.6
109.02889	14.1
109.06513	7.4
109.10156	22.5
111.08096	6.0
115.05501	2.2
117.07016	19.5
119.07798	4.1
119.08594	57.5
121.06535	6.9
121.10140	17.8
123.08052	6.6
123.11694	3.2
125.09654	5.3
127.03903	19.6
129.07014	5.3
131.08583	35.3
133.09106	3.8
133.10132	62.0
135.08052	9.7
135.11688	16.2
137.09602	6.5
141.06964	3.4
142.07803	4.6
143.08566	8.7
145.06462	4.9
145.10136	28.7
147.11684	22.0
149.02361	6.4
149.09618	10.7
149.13254	6.3
151.11180	5.1
155.08490	3.8
157.10103	9.1
159.11707	19.7
161.09628	2.4
161.13258	8.1
163.11182	10.9
165.09154	2.6
169.10027	2.9
171.11700	8.0
173.09698	3.2
173.11861	3.2
173.13269	8.5
175.11143	4.9
175.14825	4.2
177.12785	5.7
179.14301	18.3
183.11655	7.9
185.13307	6.1
187.11183	9.1
187.14827	8.7
189.12865	3.1
193.04938	9.5
197.13263	6.4
199.14876	4.4
201.12769	3.3
201.16353	4.9
203.17880	2.1
205.12294	3.5
211.14955	3.0
213.16486	3.2
226.33659	2.5
227.12746	4.3
247.20580	3.7
257.19183	4.8
275.20074	100.0
293.21027	17.9
321.07581	2.6
419.24329	7.4
419.33020	5.0
437.25098	19.5
437.34775	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	437.3415
Annotation	Alertenone
Peak:m/z	Relative Intensity
53.03963	2.1
55.01863	1.5
55.05511	11.4
57.03429	1.2
57.07071	5.5
59.05005	2.9
67.05507	20.1
69.03452	2.9
69.07072	31.0
69.56274	3.5
69.56696	5.2
71.05003	1.7
71.08629	3.9
72.09601	1.2
79.05502	9.9
81.03439	1.5
81.07066	27.2
83.04994	2.3
83.08624	7.3
85.02871	1.6
85.06555	2.5
85.10168	3.1
89.06051	2.0
91.05479	9.5
93.07049	21.3
95.04987	1.6
95.08616	28.8
96.08980	1.3
97.06539	3.4
97.10171	3.9
99.08112	1.7
101.29590	1.2
105.07035	14.3
107.04949	1.7
107.08601	23.6
107.09303	2.3
109.06518	3.9
109.10160	32.4
111.08084	3.5
111.11734	3.1
113.64587	1.2
117.07040	3.6
119.08584	15.5
121.06503	4.9
121.10149	23.6
123.08102	3.4
123.11714	4.8
125.09627	2.7
129.07028	3.0
131.08565	9.7
133.08623	1.9
133.10139	10.2
135.08066	3.8
135.11681	10.2
137.09712	1.4
137.13303	2.5
141.07059	1.7
142.07884	1.7
143.08514	6.5
145.10112	12.3
147.08066	1.5
147.11679	8.3
149.09633	4.1
149.13324	7.1
151.11208	1.9
151.14787	1.6
155.08546	3.9
156.09315	2.8
157.10133	8.3
159.08119	2.3
159.11705	9.8
161.09616	3.9
161.13307	4.9
163.11290	2.9
165.12738	2.0
167.08545	1.9
169.10185	7.6
171.11729	9.2
173.09654	2.6
173.13248	9.3
175.11224	3.8
175.14821	3.7
177.12741	3.2
177.16420	7.7
179.14325	2.7
181.10207	2.6
183.11700	10.3
185.13297	8.9
187.11250	3.0
187.14853	8.9
189.12801	3.0
189.16383	2.7
191.14394	1.8
191.18024	2.1
195.11717	3.5
197.13245	6.8
199.11182	2.9
199.14708	6.4
201.12819	3.6
201.16376	3.4
203.18129	1.7
205.15939	1.5
207.11749	1.4
209.13310	4.0
211.14790	6.7
213.12785	3.0
213.16325	3.4
215.14378	2.5
215.18001	2.7
217.15779	1.6
223.14848	3.7
225.12782	2.0
225.16434	5.2
226.17177	1.8
227.17995	4.4
229.15887	2.1
235.14877	2.5
239.14383	1.7
239.17934	7.1
240.18730	1.7
241.15956	3.0
241.19543	3.6
251.18060	1.5
253.19398	6.8
257.19092	5.4
259.16998	6.1
259.20587	1.7
265.19589	2.1
267.21204	1.6
269.19055	2.5
271.20624	3.7
275.20193	2.3
281.19135	1.6
281.22656	2.9
283.20642	3.8
287.20074	3.5
291.21030	2.6
309.22076	2.0
313.21478	3.1
325.21716	1.2
327.23206	32.0
327.27094	1.6
329.24835	1.2
341.24646	3.9
353.25143	1.7
355.26450	5.0
363.26883	1.8
367.26407	2.2
369.27759	7.1
381.27863	6.6
409.34750	1.9
419.33081	14.2
437.34204	100.0
438.34714	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	436.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05523	1.1
68.05017	0.6
68.82301	0.6
69.03432	1.3
69.07085	1.0
69.74367	0.5
70.06589	5.1
70.21338	1.8
71.05027	0.6
72.08153	1.8
73.40635	0.5
74.06073	0.7
75.72427	0.5
79.05499	2.9
80.05039	0.8
81.03415	1.1
81.05821	2.7
81.07063	1.8
82.06564	0.8
84.04520	1.1
84.08136	1.9
85.02911	2.1
86.09728	1.2
87.04466	0.7
89.73608	0.7
91.05473	1.0
93.07032	0.7
95.04988	0.9
96.08141	12.0
97.02878	1.9
97.06522	0.8
106.06561	2.6
107.04954	1.1
109.02896	1.1
112.07655	0.7
116.07086	0.7
117.99565	0.6
119.04926	0.6
124.07603	100.0
125.06004	1.5
125.07960	1.0
127.03955	2.0
128.07109	3.3
136.07629	0.8
142.08627	1.7
144.06625	0.7
145.21072	0.5
147.04436	1.1
152.07117	0.6
162.09142	0.6
163.03897	0.6
166.08408	0.6
178.03215	0.7
209.07487	0.6
256.06586	0.6
256.11841	1.5
304.13968	1.1
436.16409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.6
55.01874	19.6
55.05517	33.4
57.03435	8.6
57.07082	3.5
59.04992	2.8
65.03949	3.0
67.05508	100.0
69.03429	17.5
69.07071	35.0
70.06574	3.0
70.50734	5.9
70.51084	2.6
71.04989	8.4
72.08158	3.3
79.05059	4.0
79.05497	55.9
81.03428	31.9
81.07059	70.0
82.06589	1.7
83.04982	16.0
83.08620	21.4
85.02916	19.5
85.06535	5.4
90.23953	2.0
91.05487	59.9
93.07051	65.0
95.01326	3.1
95.04976	19.2
95.08614	57.2
97.02892	15.3
97.06536	29.0
97.10177	17.4
99.04456	6.9
99.08125	3.2
103.05479	3.9
105.04539	2.1
105.06388	4.3
105.07041	62.2
107.04958	17.6
107.08604	54.2
109.02876	11.7
109.06541	10.4
109.09459	4.1
109.10166	57.6
111.04436	4.4
111.08092	7.5
115.05447	3.8
117.07015	21.7
118.20036	2.1
119.04913	2.5
119.08582	50.0
120.21313	2.0
121.06528	10.8
121.10162	29.4
123.04436	2.0
123.08090	7.4
123.11729	10.5
125.06065	2.3
125.09636	10.3
127.03925	19.7
129.07001	10.2
130.07770	2.2
131.04962	2.2
131.08580	30.4
133.06512	5.9
133.10130	38.7
135.08096	9.9
135.11690	34.9
137.09615	7.4
137.13307	3.8
139.11168	1.9
141.07030	5.3
142.07793	2.4
143.08566	9.1
145.06499	3.9
145.10139	38.8
147.08028	4.5
147.11691	24.4
149.09639	24.7
149.13283	6.8
151.07500	2.2
151.11241	4.2
153.06946	2.1
153.09091	4.5
155.08618	3.4
155.10637	2.0
157.06488	2.3
157.10127	12.4
159.08101	3.6
159.11722	24.1
161.09647	4.6
161.13263	10.6
163.11189	35.2
163.14873	2.9
165.09138	4.9
168.09424	2.3
169.10104	7.5
171.08031	2.5
171.11696	5.5
173.09651	4.5
173.11765	8.5
173.13275	12.2
175.11211	6.7
175.14859	3.6
177.12808	3.5
179.14293	4.7
181.10133	4.0
181.12286	6.8
183.11702	6.8
185.13290	6.4
187.03951	6.2
187.07518	2.2
187.11235	7.1
187.14874	7.1
189.11217	5.2
189.12784	3.6
189.16388	4.1
191.14296	2.9
195.11754	2.7
197.13210	6.3
201.16432	7.4
203.07129	2.7
203.14319	4.3
209.11716	2.1
211.14861	3.3
213.12807	3.7
213.16447	4.1
215.10652	3.0
215.14363	3.1
215.17984	4.6
217.15869	3.2
223.14932	2.4
227.12782	48.6
227.17755	3.3
229.16071	2.8
229.19534	4.7
233.15379	2.6
239.17955	7.8
241.04941	2.9
243.02922	5.1
247.17145	2.5
247.20387	2.4
257.19028	11.2
259.06152	6.7
273.18762	2.4
275.20087	75.6
276.20303	2.4
287.05423	8.0
288.06036	2.1
299.20023	2.1
317.20950	4.1
383.21912	4.3
401.23077	4.5
419.24252	9.6
419.32803	2.8
433.28217	1.9
437.25195	35.0
437.34433	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3471
Annotation	5beta-cholestan-7alpha,12alpha,24-triol-3-one
Peak:m/z	Relative Intensity
53.03945	4.7
55.05513	18.2
57.07079	10.9
65.03938	2.0
67.05170	2.0
67.05511	24.7
69.07076	34.3
71.08633	8.9
71.56255	2.3
79.05492	15.0
81.03429	3.1
81.07062	27.4
83.04977	4.6
83.08631	19.9
85.06503	1.5
85.10172	3.0
91.05475	11.2
93.07041	10.2
95.04981	4.9
95.08609	22.4
97.06516	3.6
97.10181	12.3
99.04457	4.9
105.07051	9.2
107.04967	7.1
107.08591	8.6
109.06516	14.7
109.10171	11.8
111.04440	3.5
111.11728	6.7
117.07025	3.5
119.08590	6.3
121.06523	4.6
121.10162	4.8
123.04407	8.2
123.08110	2.5
123.11726	7.7
125.06038	8.0
125.13297	2.6
129.07001	1.8
131.08586	3.7
133.10146	4.5
135.03389	3.2
135.04428	66.5
135.08038	3.5
135.11703	2.8
137.05986	17.3
137.13271	3.7
139.03897	2.9
141.05482	2.6
142.07777	1.8
143.08519	3.1
145.10120	3.4
147.08070	3.1
147.11703	2.9
149.05988	15.2
149.09630	2.2
149.13287	2.0
151.07568	4.4
153.05472	16.5
157.10104	3.8
159.11739	3.5
161.09616	3.7
161.13187	1.8
163.07571	8.5
163.11179	1.7
165.09122	1.7
167.07030	3.9
171.06517	1.7
171.08018	3.1
171.11711	2.3
173.09615	2.1
173.13249	2.3
175.11179	3.1
177.09123	6.7
177.12770	2.9
179.86090	1.6
183.11781	2.2
185.09641	1.8
191.10649	8.3
193.12396	2.3
203.10692	3.8
205.12297	5.3
207.13797	1.9
213.16315	2.0
217.12325	1.9
219.13759	3.7
247.16977	2.0
261.18582	3.5
273.18430	2.0
343.26187	2.0
345.28000	3.8
381.31500	2.0
399.32620	37.2
400.32584	1.9
417.33673	100.0
418.34180	2.6
435.34921	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	435.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50642	2.3
51.89369	1.9
51.98195	1.8
53.03947	4.5
55.01869	9.5
55.05508	12.6
57.07078	23.2
67.05493	8.4
69.07070	25.2
70.72894	3.1
70.73218	3.5
71.04996	25.1
71.08636	21.4
79.05454	2.1
81.03419	11.0
81.07056	11.0
83.08613	15.5
85.10166	11.5
91.05479	4.0
93.07018	5.8
95.04947	3.7
95.08614	17.6
97.06540	3.2
97.10162	9.0
99.00813	2.8
99.11675	1.9
105.07023	5.7
107.08590	7.3
109.02879	39.1
109.06495	4.4
109.10158	7.4
111.11705	6.4
113.00034	10.5
119.08572	5.5
121.10132	5.1
123.04420	2.3
123.08078	4.9
123.11694	3.7
125.05971	2.5
125.13264	1.9
127.03923	100.0
133.10121	5.4
137.05952	4.8
137.09615	2.3
141.05447	8.6
147.11742	3.4
149.13332	2.1
151.07526	7.6
151.11154	2.6
155.07007	7.2
157.04944	4.9
161.13284	3.0
165.09116	6.8
165.12732	2.7
169.02681	17.1
169.04962	28.8
169.08585	4.0
175.14821	1.9
179.10593	3.7
190.84868	2.2
193.12292	5.7
204.22910	1.7
207.13727	5.6
221.15378	5.0
310.15018	1.8
325.59561	2.0
329.28397	5.6
347.29459	79.0
365.30634	4.5
417.37711	10.3
435.29251	4.1
435.34476	54.9
436.34781	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	435.3473
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
54.60202	0.2
55.01867	0.8
55.05508	0.8
55.23137	0.3
57.07072	0.6
67.05493	0.9
69.07069	1.5
69.58066	1.7
71.08624	0.3
74.09708	0.2
79.05491	0.5
81.07064	1.4
83.04964	0.4
83.08611	1.0
85.06502	0.3
88.73896	0.3
91.05486	0.4
93.03460	0.2
93.07063	0.6
95.04941	0.5
95.08601	0.9
97.10188	0.4
98.20815	0.5
99.00819	0.6
99.03840	0.3
99.04464	4.1
105.07028	0.3
107.08604	0.4
109.06503	0.7
109.10134	0.3
110.10286	0.2
110.31581	0.2
111.04455	2.9
113.02348	0.2
114.25241	0.3
119.08585	0.5
121.10197	0.6
125.06003	10.9
135.11824	0.3
135.95947	0.2
137.05905	0.2
139.04015	0.3
141.05475	6.0
143.08636	0.3
153.05479	100.0
154.05833	1.4
156.09300	0.2
167.07089	0.8
417.33679	10.0
418.33972	0.5
435.34756	24.3
436.35092	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3472
Annotation	5beta-cholestan-7alpha,12alpha,24-triol-3-one
Peak:m/z	Relative Intensity
53.03952	2.7
55.01874	2.9
55.05514	18.4
57.03454	1.8
57.07076	16.2
59.05001	9.1
59.39560	1.6
61.11041	1.5
65.03941	1.7
67.05508	29.0
69.03445	1.4
69.07075	21.1
71.05006	1.9
71.08633	14.6
71.56306	1.9
75.58063	1.4
79.05496	14.0
81.07059	21.7
83.04980	2.8
83.08636	12.9
85.06515	1.9
85.10191	7.5
91.05482	24.9
93.07048	57.1
95.04952	3.7
95.08614	38.6
97.06539	4.4
97.10182	7.6
105.07056	21.2
107.04935	1.7
107.08603	13.1
109.06529	6.3
109.10144	9.2
111.08089	24.8
111.11767	2.5
113.00026	3.1
117.07002	7.4
119.08571	13.7
121.06522	5.4
121.10152	7.3
123.08102	3.6
123.11732	3.2
125.09682	2.7
127.07587	4.4
129.07018	5.0
130.80124	1.5
131.08560	10.8
133.10114	8.0
135.08070	4.4
135.11668	4.2
137.09599	3.6
139.07547	27.1
143.08568	6.1
145.06595	2.3
145.10118	8.9
147.11678	3.1
149.09641	5.2
151.11256	2.0
153.05476	2.0
153.09108	16.0
155.08534	4.6
157.08714	3.8
157.10152	3.5
157.69005	1.8
159.11717	4.7
161.09653	2.3
161.13286	1.6
163.11253	2.6
167.10683	8.4
167.47797	1.5
169.10088	2.9
171.11610	1.8
173.13316	2.6
179.10745	2.5
181.12207	8.3
183.11697	2.5
187.14771	2.0
193.12178	2.0
195.11981	1.9
195.13780	8.6
197.13255	2.1
199.14839	1.8
207.13882	5.2
209.13435	3.0
209.15443	5.9
221.15480	2.3
261.18481	1.7
263.20068	2.1
265.21701	2.7
335.23685	2.4
343.26334	4.7
353.24683	8.5
371.25778	10.6
385.27347	4.3
389.34128	58.8
399.32666	4.0
403.28384	20.8
417.33701	100.0
418.34128	4.0
435.34711	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3472
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
53.03959	7.2
54.25557	1.3
55.01873	7.9
55.05262	1.7
55.05516	21.6
57.07078	7.7
64.25177	1.2
67.05507	18.4
69.03436	9.9
69.07066	18.8
71.08640	3.6
71.55811	1.9
71.66315	1.3
72.94427	1.4
79.05489	11.7
81.03423	18.7
81.07069	13.5
83.05035	1.6
83.08625	12.8
85.10184	2.1
85.12170	1.3
87.04496	1.6
91.05514	6.7
93.07052	8.1
95.04990	8.8
95.08607	13.4
97.02880	1.5
97.06496	2.9
97.10157	5.4
98.98465	3.3
99.00831	21.0
105.07034	5.5
107.04972	6.3
107.08613	5.4
109.02880	37.9
109.06522	8.6
109.10143	8.1
111.04420	2.0
111.11694	3.8
113.02415	2.8
117.01864	15.5
117.07044	1.9
119.08588	5.6
121.06506	2.0
121.10182	3.7
123.04458	6.5
123.08107	1.7
123.11750	3.1
125.05969	4.5
127.03917	81.0
131.08649	1.8
133.10144	3.6
135.04453	3.0
135.11664	2.2
137.05966	2.0
141.05475	44.9
143.08504	1.8
145.10139	3.8
147.11699	3.8
151.07607	1.5
153.05470	23.0
155.07051	2.6
159.06500	3.1
159.07999	1.3
159.11655	2.3
163.11206	1.4
169.10153	2.7
171.06534	39.4
171.11679	3.5
175.14842	1.6
177.09166	1.4
181.08502	1.8
181.42186	1.3
183.11755	2.1
185.08110	2.3
189.12692	1.5
213.11230	2.6
219.85788	1.6
221.15439	2.0
227.12720	3.5
227.22733	1.3
239.12871	1.8
269.17691	1.4
297.20590	3.5
297.99582	1.4
309.20721	1.8
337.27386	3.7
353.26962	2.0
367.28790	2.0
417.33215	9.5
435.34720	100.0
436.34964	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	435.3471
Annotation	5beta-cholestan-7alpha,12alpha,24-triol-3-one
Peak:m/z	Relative Intensity
55.05512	31.6
57.07076	18.3
63.58125	3.6
67.05513	25.1
69.07074	52.8
70.17093	8.2
70.17487	10.7
71.08628	9.5
76.23862	3.6
79.05505	20.0
81.07050	39.4
83.04973	13.8
83.08618	23.0
83.52584	4.2
85.10144	4.5
89.06036	29.5
91.05481	10.7
93.07050	16.8
95.04996	8.2
95.08626	27.8
97.06537	18.2
97.10163	16.3
97.32523	4.5
99.04462	6.4
105.07020	10.9
107.04971	13.5
107.08611	13.3
109.06550	8.5
109.10164	20.3
111.04425	5.0
111.11718	8.8
112.99969	5.3
117.06967	4.6
119.08575	12.0
121.10155	9.8
123.11713	6.9
125.06006	69.2
127.03915	13.9
129.06990	6.0
131.08553	7.6
133.08589	12.0
133.10164	7.8
135.04402	7.0
135.08041	6.5
135.11734	4.5
137.05963	6.7
139.03900	15.2
141.05464	22.5
143.08569	5.8
145.10098	6.9
147.11671	7.5
151.07542	7.0
153.04309	7.3
153.05482	100.0
154.12259	12.6
157.10138	7.0
167.07037	8.2
169.02658	5.2
171.14957	9.2
175.11261	3.9
177.09079	5.6
177.11243	5.0
193.12080	5.0
239.14975	8.1
399.32642	10.8
403.28317	5.6
406.99625	4.1
417.33667	86.8
418.33936	6.1
435.34686	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	435.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
55.01873	3.4
55.05519	22.6
57.07076	15.9
59.05008	11.8
65.03930	3.1
67.05509	51.1
69.07072	33.0
71.08649	16.0
79.05500	33.6
79.46338	1.9
81.07067	52.3
83.04989	6.1
83.08627	18.7
85.06528	5.7
85.10191	9.7
91.05488	54.5
93.07049	86.2
95.04984	5.0
95.08616	57.5
97.06548	7.2
97.10152	11.4
97.55425	2.2
102.05619	2.1
103.05450	3.2
105.07042	52.8
107.04941	3.2
107.08608	22.4
109.06525	9.8
109.10170	14.4
111.08084	29.1
111.11713	4.3
114.04443	2.4
116.06309	2.2
117.07027	18.0
119.08588	33.3
121.06528	6.7
121.10153	15.3
122.71712	2.0
123.08054	4.9
123.11720	4.7
125.09660	5.1
127.07573	5.5
128.06216	3.0
129.07007	14.7
130.07774	2.4
131.08566	36.1
133.10135	23.7
135.08124	5.3
135.11716	4.7
137.09630	4.7
139.07553	29.3
141.07001	5.1
142.07771	3.3
143.08563	9.4
145.10149	28.0
147.08057	4.9
147.11693	7.1
149.09662	5.2
149.13402	3.0
151.11232	4.4
153.05476	3.9
153.09126	15.7
155.08603	10.1
157.08661	3.6
157.10162	8.2
159.08090	3.5
159.11717	9.4
161.09592	3.0
167.08566	2.9
167.10698	11.1
169.10155	9.9
171.11720	9.3
172.57016	2.2
173.13246	6.1
181.10265	2.4
181.12230	8.8
183.11761	5.1
185.13289	4.6
187.14824	4.2
193.12309	3.4
195.11768	5.2
195.13841	7.3
197.13306	6.5
199.14804	3.5
207.13733	5.4
209.13382	4.8
209.15317	4.4
211.14777	2.3
215.14357	3.2
221.15297	3.0
223.14798	3.3
223.16969	2.4
233.15361	4.7
251.20087	2.5
261.18420	3.7
265.21790	3.7
291.23407	2.3
325.25156	6.6
335.23746	9.6
343.26276	10.7
353.24725	26.4
367.26468	3.1
371.25827	26.6
375.28839	2.7
385.27484	10.6
389.34149	57.0
403.23160	3.4
403.28485	75.1
417.33792	100.0
418.34177	3.1
435.34766	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	435.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.4
55.05511	35.4
57.03447	7.4
57.07076	31.0
59.05001	12.8
59.55848	6.0
67.05513	64.7
69.07076	42.7
69.80941	10.4
69.81348	22.8
71.08625	25.8
79.05493	46.4
81.07059	78.0
81.10862	5.0
82.54759	5.5
83.04194	5.7
83.04955	7.4
83.08610	18.6
85.06525	8.7
85.10172	25.0
87.75797	5.3
91.05482	68.4
93.07040	55.3
95.04983	13.8
95.08617	58.2
97.06557	14.8
97.10164	9.0
98.21503	8.4
105.07036	79.4
107.08617	30.2
108.40288	5.1
109.06510	17.6
109.10138	16.6
111.08082	11.9
113.00047	6.0
117.07047	35.8
119.08602	60.0
121.06511	12.4
121.10156	26.8
123.08086	5.9
129.06996	18.4
130.07764	8.7
131.08565	66.4
133.10138	32.3
135.08038	9.5
135.11685	12.6
139.07541	10.4
141.06995	10.0
143.08534	19.7
145.10123	41.2
147.11652	16.3
149.09631	12.1
153.05402	11.0
153.09169	6.9
155.08641	7.1
157.10112	19.8
159.11627	30.6
161.09589	7.4
161.13324	6.7
167.10701	6.5
169.10095	14.0
171.11656	19.5
173.09644	12.2
173.13290	15.3
181.10170	11.9
183.11681	10.9
185.09631	5.4
187.14822	6.1
195.11748	9.4
197.13263	10.1
201.12880	7.9
213.12798	7.9
213.61293	5.4
215.14333	7.8
223.14877	5.7
325.25394	9.3
335.23804	9.6
343.26276	16.8
353.24765	47.5
371.25955	28.2
385.27377	23.6
389.34018	17.0
403.28427	100.0
411.04810	6.5
417.33954	46.0
435.34967	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	435.2743
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
55.05510	16.8
57.07077	5.1
59.42480	3.7
65.03967	4.8
67.05503	30.8
69.07067	18.1
69.47259	29.8
72.08163	7.1
79.05490	15.1
80.74545	3.7
81.07063	32.9
83.08636	12.2
89.35243	4.1
89.42783	3.8
89.99466	4.2
91.05491	31.5
93.07078	19.0
95.04957	7.9
95.08611	33.6
97.10163	17.5
97.64764	4.0
105.07059	23.7
107.08604	14.0
108.30585	4.0
109.06490	5.2
109.10164	17.5
111.11730	7.2
116.25339	4.2
119.04971	26.0
119.08579	17.9
121.06532	5.4
121.10143	14.1
123.11687	3.9
131.08583	5.0
133.10129	9.3
135.11652	8.6
143.08510	5.2
147.04428	100.0
147.11684	8.0
159.11670	4.8
161.09645	4.2
161.13312	5.8
165.05484	15.6
165.12772	4.2
203.05948	4.4
213.16383	4.1
217.19537	11.4
235.20573	14.6
253.21513	7.8
283.18024	4.9
303.38120	4.2
306.96909	3.8
356.94067	4.0
435.27399	10.2
435.32751	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	435.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
57.03440	4.9
57.07082	6.0
65.54787	0.3
65.94554	0.3
67.05508	3.0
69.07077	2.1
69.48437	0.6
69.48858	1.8
71.08635	4.7
79.05476	0.5
81.07066	3.5
83.08624	1.6
84.08191	0.5
85.10182	2.2
89.06036	0.6
91.05544	0.4
93.07067	0.7
95.04942	0.5
95.08617	4.1
97.10162	1.2
98.98445	0.4
105.07042	0.5
109.06512	0.5
109.10137	1.8
111.11729	0.8
113.00022	100.0
119.08595	0.5
121.10172	0.4
123.04425	0.7
123.11703	1.0
131.01038	0.7
133.10136	0.5
137.06068	0.3
137.13219	0.4
139.01567	0.6
145.10147	0.3
151.03949	0.7
151.07564	0.4
153.05472	0.4
154.02670	0.9
169.02618	98.2
170.02954	0.5
173.50688	0.3
180.13855	0.5
197.16536	0.6
417.33417	0.8
422.28912	0.4
453.19543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0924
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03946	0.4
55.01867	0.5
55.05511	0.5
57.03442	6.0
61.02929	1.9
65.03942	0.3
67.05492	1.0
68.99778	1.1
69.03432	1.3
69.07078	0.6
69.95513	0.2
70.06577	0.7
71.01334	0.5
71.04953	0.3
71.55592	0.4
72.08160	3.1
73.02923	13.1
75.51240	0.3
76.47675	0.2
79.05476	0.8
81.03413	0.8
81.07056	1.1
82.89983	0.2
84.04498	0.6
84.08138	0.5
85.02912	1.7
86.06111	0.3
86.09696	1.1
89.80207	0.2
91.05472	1.2
93.03417	0.3
93.07039	0.7
95.04945	1.2
95.08609	0.6
97.02899	1.6
97.06549	0.4
99.04459	0.2
103.05482	0.3
105.01836	0.4
105.03386	0.3
105.07023	0.8
107.04951	0.7
107.08633	0.6
109.02871	1.1
109.06518	0.3
109.10150	0.6
111.00783	1.4
111.04501	0.3
115.03938	0.9
117.06993	0.5
118.06638	0.2
119.04938	0.3
119.08600	0.8
120.08118	1.3
121.02877	1.5
121.10181	0.3
123.04435	0.7
127.03938	1.0
130.05003	1.1
130.06516	0.5
131.04944	0.6
133.06432	0.3
133.10159	0.5
135.11658	0.6
137.02347	4.2
137.05968	1.1
138.06744	0.5
139.07088	0.3
145.06447	0.9
145.10083	0.4
146.09634	0.2
147.04385	0.6
148.38492	0.2
149.02284	0.5
150.09152	0.4
151.07597	0.3
151.11182	0.3
153.01839	5.0
154.06277	0.6
155.06738	0.3
159.11700	0.4
161.05983	0.7
163.03905	0.8
165.01820	2.4
165.97205	0.2
167.07092	1.7
169.08627	1.4
170.08925	1.1
173.05974	1.0
181.04980	1.4
183.02904	0.9
183.04463	0.6
190.06425	0.3
197.08124	1.2
197.09763	0.3
198.08501	0.8
201.05510	2.7
201.16415	0.6
205.05061	0.2
205.08612	0.3
213.05486	0.3
215.03430	0.3
218.05788	0.3
219.06497	0.3
219.17418	0.5
221.08029	0.3
223.10768	0.3
229.04971	5.3
233.08081	2.1
237.18414	0.4
239.09131	2.2
240.09528	2.1
247.06088	0.8
255.11151	0.3
257.04446	2.7
263.09360	0.3
272.20190	0.7
274.04697	0.8
285.03976	1.5
288.19501	0.7
303.05005	100.0
304.05411	1.8
306.20526	0.7
315.04965	0.6
364.24805	1.2
417.15607	1.6
418.22266	0.6
435.25296	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.129
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.24253	0.5
53.03941	0.7
55.01878	0.5
55.05513	0.9
57.03430	0.8
61.02898	0.7
65.03927	0.5
67.01856	1.2
67.05495	2.1
68.99786	1.0
69.03429	2.7
69.07071	0.7
70.01653	1.8
70.06587	1.0
72.08147	2.0
79.05500	1.7
81.03420	1.9
81.07041	2.7
83.04983	0.7
84.08145	0.6
85.02915	3.1
86.09690	1.3
90.03146	0.4
91.05483	5.5
93.07041	1.5
95.04961	2.2
95.08624	2.1
97.02908	3.0
97.06504	1.2
105.07042	2.1
107.04959	2.5
107.08601	1.4
109.02883	0.8
109.10152	1.1
111.00780	0.5
117.07000	0.8
119.04938	9.0
119.08600	1.4
120.08107	0.8
121.02822	0.8
121.10136	1.0
123.04440	3.1
123.11677	0.6
127.03911	1.8
127.11240	0.6
131.08591	1.0
133.06499	0.7
133.10121	1.3
135.08044	0.7
135.11670	0.8
137.05959	1.1
139.07532	0.5
145.04950	0.6
145.10158	1.1
147.04416	34.6
147.11624	1.4
151.03951	1.0
153.01836	66.3
154.02171	0.7
155.08473	0.5
157.10045	0.6
159.11755	0.9
161.05962	0.5
165.01830	0.6
167.05843	0.5
167.07059	3.0
171.02917	2.8
173.06078	0.6
175.07520	0.6
175.31039	0.5
179.03415	1.0
181.05005	2.9
182.30324	0.5
184.92751	0.5
187.07686	0.6
189.05505	1.5
191.03493	0.7
195.03020	0.7
203.10847	0.6
205.08556	0.6
219.02911	0.6
231.06624	1.0
233.08044	2.3
241.68338	0.7
255.06610	0.5
263.09311	0.6
272.20056	0.6
273.07587	100.0
274.07892	1.9
285.07629	0.9
315.08844	0.7
327.45407	0.6
330.46320	0.5
417.15311	2.1
435.23636	1.6
435.32571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.9
55.01870	8.2
57.03430	5.5
61.02920	5.0
65.03946	2.2
68.99810	2.6
69.03436	36.1
69.07075	2.1
69.80045	7.7
70.06591	11.2
71.04997	6.8
72.08165	10.8
73.02914	9.0
78.03448	4.2
79.05495	6.9
81.03421	29.9
81.07036	2.5
84.04491	7.8
84.08154	5.3
85.02911	100.0
86.09698	3.8
87.00832	31.3
87.04494	3.5
91.05493	17.8
93.07026	2.3
95.01349	4.6
95.04967	6.1
95.08658	2.0
97.02900	29.4
98.06059	6.6
98.21528	2.3
99.04481	15.0
105.01871	36.9
105.07030	5.8
106.02925	16.8
107.04943	5.4
108.04484	5.8
109.02892	33.8
109.06610	2.5
115.03971	2.1
115.08692	14.2
116.07073	3.5
117.01855	3.9
119.04952	15.3
121.06553	2.6
122.06083	3.6
123.07978	2.4
124.03985	22.6
124.07593	2.3
126.05518	4.5
127.03925	59.5
129.06992	4.1
130.05014	4.6
132.11342	13.5
133.06500	4.3
133.10158	3.9
135.04434	4.6
135.08105	2.9
137.02315	2.4
137.05962	9.5
140.07080	6.5
145.04988	27.4
147.04433	2.5
147.08028	3.0
149.05949	2.5
151.07552	46.2
157.06458	3.2
159.02872	12.3
165.09109	13.6
166.08568	2.2
167.07140	4.1
168.06551	6.7
169.69922	2.1
175.07654	6.1
179.07120	2.9
181.04980	3.3
189.03947	5.1
189.09128	5.2
193.08614	30.9
193.12259	3.6
207.02922	2.4
208.09590	2.8
209.15367	5.4
211.09689	2.7
213.03873	3.5
217.08650	4.1
227.10298	2.7
231.05055	14.7
231.10158	2.2
235.09660	14.4
237.07475	2.8
249.06049	3.2
250.07161	6.2
259.09720	15.5
268.08075	5.0
271.06024	14.2
272.06323	38.6
277.10669	23.6
305.04871	2.5
348.13571	2.3
363.10425	3.1
372.11420	2.6
381.11725	6.6
390.14572	3.8
416.27438	3.6
434.13092	14.5
434.18884	2.6
435.18234	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.7
55.01863	2.9
66.73879	1.8
67.05515	2.5
69.03441	4.2
69.07072	2.5
69.40813	7.3
69.41227	8.6
70.06599	16.0
72.08150	6.6
77.19377	1.8
79.05489	3.7
81.03431	4.7
81.07068	3.6
84.04522	7.3
84.08147	5.5
85.02938	5.5
88.04017	5.8
89.06020	13.5
90.06366	4.1
91.05468	12.1
93.07013	4.1
95.08571	2.8
96.08153	4.4
97.02917	6.7
103.05482	8.1
104.26755	1.8
105.07035	6.7
106.22653	1.9
107.04965	5.3
109.02866	2.6
109.06572	2.4
115.05452	5.6
117.07013	17.7
119.04907	3.9
119.08583	4.5
121.06514	18.4
124.07584	3.4
127.03954	6.0
128.07101	3.7
131.04936	3.3
133.06500	3.7
133.08615	7.9
134.08928	3.4
135.08080	4.5
135.09076	2.7
137.05995	4.5
138.06781	12.5
142.08618	4.2
145.06493	42.0
147.04443	13.0
147.06941	2.4
147.08067	7.8
149.05984	49.5
149.07129	4.0
151.03906	5.2
152.04764	2.3
153.05431	2.3
154.06273	12.7
156.06548	4.9
160.07542	2.2
161.06081	2.9
161.08318	14.0
162.09157	2.9
163.07591	9.3
165.05511	2.1
167.07083	10.9
169.08603	37.4
170.08243	2.2
171.04449	12.9
173.05980	15.8
174.09201	2.9
175.03943	4.6
176.10716	99.3
177.11304	4.2
178.08675	8.4
179.07164	2.3
181.04993	3.6
184.07634	5.9
189.05518	6.8
191.07036	35.6
193.04999	9.3
193.08772	3.4
195.06549	21.7
197.08090	23.9
199.03918	5.0
202.08620	14.2
216.06476	2.1
217.05005	11.5
220.09731	4.2
221.08070	17.2
222.11263	70.5
223.07463	2.6
225.09305	3.1
235.05943	3.1
238.06262	5.1
239.06975	3.5
239.09096	28.1
241.08591	3.8
253.08740	3.0
254.09444	3.5
255.10295	5.7
256.07339	3.8
266.10068	7.9
267.06601	2.6
267.10254	3.1
269.08249	2.9
271.09625	27.3
280.11719	2.2
282.08752	2.3
283.09552	2.2
287.12778	3.7
297.11121	12.6
299.12823	6.5
308.10312	2.3
315.12192	5.7
325.10657	7.4
328.15509	3.8
328.21304	3.4
332.90305	2.0
338.13763	2.3
339.12463	3.0
341.14102	4.3
357.13495	9.4
370.16492	69.1
372.11685	2.4
374.15988	8.2
385.12967	15.7
388.17569	54.6
403.14050	3.7
416.11697	2.5
416.17172	35.6
417.17502	2.8
434.12347	4.9
434.18188	100.0
435.18884	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	433.3314
Annotation	1alpha,2beta,25-trihydroxycholecalciferol
Peak:m/z	Relative Intensity
53.03922	2.8
55.05301	2.4
55.05522	29.2
57.07087	11.0
58.66032	2.1
65.03960	2.7
67.05513	22.6
67.33265	2.1
69.03435	4.2
69.06719	3.6
69.07072	41.9
69.38455	2.0
70.60160	2.0
71.08624	6.1
71.56532	2.7
76.19322	1.9
79.05502	9.3
81.07060	46.9
83.04982	10.0
83.08609	20.0
85.06523	3.5
91.05488	12.7
93.07030	15.3
94.52171	2.4
95.04987	5.9
95.08615	42.8
97.06545	7.2
97.10166	11.4
98.98474	2.6
99.04469	3.0
105.07042	12.0
107.08599	14.1
109.06527	9.7
109.10142	20.7
111.04449	6.5
111.11684	3.8
112.47998	2.3
113.00027	6.0
113.06033	5.5
117.06992	4.1
119.08594	13.8
121.10170	10.5
123.08083	6.4
123.11716	11.6
125.06011	29.2
127.03925	9.8
131.08568	3.6
133.10158	9.5
135.08089	4.6
135.11682	8.2
137.05981	16.2
137.13246	4.1
139.03906	37.6
139.07568	3.2
141.05481	9.8
145.10144	6.8
147.08049	6.0
147.11674	6.9
149.09659	4.9
149.13292	3.6
151.07581	7.0
151.11183	2.5
153.05478	28.7
157.10147	5.8
159.11700	4.4
161.09686	7.0
161.13214	4.4
163.11191	3.8
165.09177	5.3
167.07056	5.6
169.02670	4.0
169.04988	10.5
170.72473	2.4
171.03049	3.5
173.09628	4.7
173.45645	2.2
175.11221	6.7
177.09155	5.8
177.12715	2.2
183.06387	2.7
187.07512	3.4
187.14809	2.4
191.07077	4.4
191.10690	7.7
192.07811	3.0
193.08481	3.0
195.10101	2.6
201.09145	6.2
203.10699	3.3
205.12444	2.6
207.10132	3.3
209.11690	4.9
219.10139	3.2
221.11787	2.9
275.16437	2.8
303.19788	2.8
324.80731	2.4
361.33246	3.0
369.31146	3.5
397.31088	4.7
415.32101	100.0
416.32196	3.6
433.22519	3.6
433.33234	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	2.1
53.03937	5.0
55.01847	1.6
55.05515	32.3
57.07088	1.9
59.05008	58.3
62.04805	1.7
67.05515	13.8
69.03423	4.0
69.07072	10.3
71.04969	2.4
71.26742	2.9
79.05502	17.2
81.07071	22.1
83.04992	4.4
83.08616	5.0
85.06553	100.0
91.05488	40.9
93.07051	30.9
93.22588	1.8
95.04968	8.0
95.08614	21.3
99.08122	3.8
101.06035	2.2
103.05478	2.8
104.67551	1.8
105.06385	2.8
105.07045	35.8
107.08591	20.8
109.06558	11.3
109.10159	17.9
111.08099	11.7
113.00018	4.9
115.05454	4.2
117.07034	12.3
119.08596	55.0
119.09455	2.7
121.06528	4.5
121.10159	22.1
122.07292	4.2
123.08082	8.5
123.11726	2.9
125.09650	23.7
128.06223	5.1
129.07011	7.3
130.07779	6.1
131.08601	23.6
133.10139	22.0
135.08041	5.3
135.11726	10.1
137.09642	26.6
137.13234	2.1
141.07004	5.4
142.07806	12.0
143.08572	19.3
144.09381	3.1
145.06555	2.9
145.10136	29.8
147.08067	5.9
147.11673	11.6
149.09663	9.5
151.07628	2.0
151.11191	32.5
151.67365	1.8
153.05464	2.3
155.08549	10.9
156.09361	9.2
157.10152	24.0
159.11725	16.0
161.09662	5.7
161.13217	2.7
163.11200	8.2
165.06984	5.6
165.12755	2.2
167.08591	5.7
168.09351	4.2
169.02609	4.4
169.10170	11.3
170.10881	3.4
171.11685	17.9
173.09660	2.6
173.13257	6.5
175.11195	5.1
175.14828	2.7
179.08607	7.7
180.09363	3.2
181.10146	7.6
182.10909	5.2
183.11725	14.8
185.13313	9.2
187.11266	4.1
187.14877	3.4
189.12825	4.8
193.10141	8.7
194.10936	6.7
195.11739	8.2
197.13268	8.2
199.14882	3.4
201.12819	3.6
203.14363	5.4
206.10916	4.4
207.11749	6.2
208.12445	2.9
209.13315	12.1
210.14108	2.2
211.14809	5.6
213.12758	1.9
215.14308	7.6
219.11693	2.0
220.12531	3.8
221.13258	7.7
223.14819	7.3
225.16486	3.3
227.14276	3.2
233.13223	3.3
235.14819	5.8
235.16910	2.2
237.16534	2.5
239.14287	1.7
241.16054	1.9
245.13429	1.9
246.14102	1.9
249.16368	2.8
251.17935	3.2
253.15883	2.1
263.17975	3.1
265.19595	3.7
295.20364	2.1
341.24826	3.5
354.25430	3.1
355.70142	1.9
417.05994	1.9
433.30823	6.6
433.36438	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2589
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
55.01873	7.6
55.05512	5.0
57.02421	3.8
57.30106	3.3
67.05508	32.6
69.07058	6.8
70.13281	9.5
70.13689	9.1
79.05504	14.2
79.65237	3.3
81.07070	34.2
83.04967	5.6
83.08621	6.5
91.04993	3.8
91.05496	22.2
93.07059	16.7
93.84768	3.3
95.04943	4.9
95.08625	29.3
97.02914	7.7
97.06521	3.9
97.10180	5.7
105.07038	11.0
107.08605	13.1
109.06519	3.9
109.10153	21.0
117.07058	4.8
119.04963	24.7
119.08591	14.0
121.10161	11.6
123.11709	7.9
131.08546	7.4
133.10165	10.5
135.11713	9.1
143.08612	4.6
143.20390	4.8
147.03236	4.9
147.04419	100.0
147.11694	6.9
149.13234	5.9
151.07558	16.8
151.11180	6.1
159.11746	3.7
161.13052	4.8
165.05536	17.6
165.09172	5.0
169.08627	9.7
169.10123	3.8
215.18002	11.1
251.20161	11.3
263.89676	3.7
264.14706	4.6
365.27518	4.1
393.74832	4.0
415.35379	4.1
433.20914	5.9
433.26859	5.5
433.36807	46.8
458.54617	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	433.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
55.01878	7.0
55.05516	50.1
57.03434	4.2
58.37283	3.2
63.41475	2.8
63.41856	3.3
67.05175	5.6
67.05508	76.3
69.03417	4.7
69.07069	44.9
73.06546	5.0
79.05495	74.1
81.03413	3.9
81.07063	99.7
82.57709	3.2
83.04969	10.3
83.08617	37.8
85.06544	11.4
91.05484	90.7
92.55317	3.1
93.07049	73.6
95.04974	16.8
95.08614	62.9
97.06559	15.2
97.10171	12.2
98.21518	7.7
98.98450	5.2
105.06386	6.4
105.07035	78.3
107.04951	11.6
107.08598	32.0
109.06531	15.5
109.10159	14.1
110.24529	3.3
111.08053	15.7
115.05457	10.4
117.07011	58.3
119.08585	47.8
121.06523	7.5
121.10149	24.7
123.08067	10.8
123.11728	3.6
125.09632	9.0
127.07555	3.8
128.06245	15.6
129.07011	60.1
130.07820	4.4
131.08571	100.0
133.06496	9.5
133.10117	26.2
135.08098	7.1
135.11690	11.3
139.07504	4.8
139.11214	8.7
141.06984	19.9
141.09154	3.8
142.07819	9.1
143.08557	53.9
145.06473	16.0
145.10136	44.7
147.08047	12.8
147.11708	10.7
148.61336	2.9
149.09636	11.9
149.13286	3.9
151.11115	3.3
153.07039	5.8
154.07753	5.1
155.08562	47.0
157.06470	6.9
157.08676	5.7
157.10129	35.0
159.08127	4.3
159.10344	5.4
159.11693	19.2
161.09615	8.0
161.13240	4.2
163.11174	8.8
165.06993	6.4
167.08609	16.4
169.10124	28.2
171.07979	5.2
171.11699	18.7
173.09735	3.2
173.13284	9.7
175.11194	4.2
177.11342	3.3
177.12773	11.9
179.08601	10.3
181.10139	22.0
183.08078	3.4
183.11678	18.7
185.09578	4.8
185.13290	11.3
187.11223	4.8
189.12733	3.3
193.10184	9.2
195.11732	19.1
197.13319	11.4
199.11099	6.9
199.14751	5.2
199.39836	3.5
201.12743	5.2
203.08583	3.4
203.14334	6.8
207.11682	8.3
209.13266	13.8
211.11218	4.9
211.14861	12.9
211.53488	3.3
213.12869	4.9
213.16403	3.9
215.07936	3.2
215.14188	4.5
219.11708	3.6
219.13846	3.9
221.13297	16.9
223.14886	15.6
225.16296	4.3
227.14316	4.8
231.13991	3.7
233.13100	3.9
235.14839	9.7
237.16487	4.4
239.14264	10.7
241.15862	5.1
247.14716	3.7
247.16998	6.0
249.16547	4.2
257.15350	5.1
261.18494	3.6
267.17542	5.3
271.17047	6.6
285.18539	7.8
290.39380	3.7
323.23688	12.1
333.22189	19.3
341.24835	11.2
351.23160	50.7
352.23328	3.5
355.26294	7.5
365.24438	4.1
369.24228	25.9
373.27197	4.0
383.25671	12.6
401.26877	34.0
415.28516	10.0
433.29599	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	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05505	17.9
57.03439	10.4
67.05503	70.2
69.07065	16.8
69.36798	5.2
71.13142	12.1
72.08154	6.5
79.05492	52.4
81.07063	68.4
83.04992	6.1
83.08599	13.9
91.05492	38.5
93.07052	56.2
95.08603	63.3
96.08949	6.3
97.02908	6.8
97.06537	9.0
98.98480	71.3
105.07023	22.5
107.08567	35.0
109.10139	32.3
117.07024	10.4
117.94711	6.0
119.08596	25.3
121.10141	40.3
123.11739	10.7
131.08560	17.1
133.10141	19.1
135.11710	19.8
139.11108	6.5
145.10129	15.7
147.11771	12.3
149.06064	6.2
149.13251	17.4
153.05490	8.0
155.01048	11.6
159.11690	17.6
161.13249	7.2
163.14799	11.9
173.02124	8.5
173.13232	13.8
187.14786	8.0
189.16435	7.9
196.61432	5.9
243.21147	35.4
246.94157	5.5
248.55150	6.1
261.22119	42.7
296.58582	5.3
317.24942	8.1
335.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03943	2.5
55.05506	11.2
57.03441	11.1
57.07056	2.6
67.05176	3.5
67.05510	49.3
69.07080	12.9
69.85124	6.4
69.85536	6.6
71.82434	2.1
72.45210	2.7
79.05492	32.6
81.07059	65.9
83.08617	3.7
91.05485	16.3
93.07051	37.0
95.04961	3.7
95.08046	4.1
95.08614	48.2
97.06539	2.7
98.98470	80.3
105.07040	13.0
107.08612	26.4
109.10175	22.1
117.07017	4.6
119.08564	11.3
121.10165	23.5
123.11694	9.0
131.08542	11.2
132.64899	2.3
133.10178	11.7
135.11716	16.3
135.90143	3.0
137.13206	3.3
145.10139	9.4
147.11702	7.9
149.13272	10.9
149.46242	2.2
155.01051	6.4
159.11681	7.1
161.13268	9.0
163.14871	7.4
173.02124	17.7
173.13240	8.4
175.14828	3.7
212.77136	2.8
233.22681	3.3
243.21085	14.6
261.22119	48.4
279.23178	3.7
317.24750	10.8
335.25830	100.0
335.29947	5.3
433.28946	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	433.1494
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
51.49373	0.6
55.05485	0.8
61.65795	0.7
62.91493	0.5
67.05523	1.5
70.84589	0.7
70.84896	0.9
72.08157	0.8
79.05473	1.3
79.21721	0.5
81.03418	0.7
81.07046	1.9
91.05491	1.3
93.07082	0.7
95.08650	0.8
97.02893	0.6
97.06485	0.7
99.04429	0.8
105.07056	1.0
107.08572	0.7
119.08580	0.9
121.10101	0.8
127.03913	1.3
129.07013	0.8
133.10199	0.7
139.03865	0.6
147.11716	0.6
151.07556	1.4
151.90913	0.6
155.08504	0.6
165.05487	6.9
165.06725	0.8
178.06270	0.7
183.02963	3.8
183.04283	0.6
205.08597	1.4
211.02393	2.3
243.06633	0.9
271.06128	1.5
283.06195	0.8
289.07043	3.1
299.05563	3.0
299.08905	0.7
301.07199	0.9
302.03885	0.6
311.05496	2.9
312.06607	0.6
313.07117	0.9
314.04422	0.9
314.07852	0.7
317.06528	4.2
325.07272	1.4
327.05118	3.3
327.08502	0.9
329.06522	1.8
329.10175	0.8
330.03662	1.2
331.08093	1.3
332.08673	0.6
335.21942	0.6
339.05139	2.5
341.02975	1.0
341.06647	1.6
342.07397	1.9
345.06030	9.2
353.06857	0.8
354.07156	0.7
355.04590	1.4
357.05984	2.1
357.09909	2.2
359.07605	2.1
360.08267	3.3
369.05997	1.5
369.10037	0.8
370.06772	0.9
371.07642	1.3
373.05496	5.9
375.10666	2.2
385.09180	8.4
387.07074	4.4
387.11334	0.9
388.07840	6.0
399.10806	1.1
400.11551	1.4
403.10275	75.1
404.10641	2.1
417.11755	4.2
418.12622	10.8
433.14987	100.0
434.15399	4.1
458.11169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01867	0.3
55.05511	0.4
57.03430	0.6
60.04523	0.3
61.02943	0.3
69.03428	2.1
70.06600	1.6
71.04980	0.6
71.13761	0.5
72.08163	3.3
72.67926	0.2
73.02917	0.7
81.03427	3.0
81.07050	0.4
81.66576	0.2
82.06565	0.3
84.04504	0.6
84.08153	0.6
85.02911	6.6
86.09722	2.7
88.03990	0.3
90.18008	0.2
93.07011	0.3
97.02898	3.6
99.04462	4.0
103.03953	4.1
109.02888	2.5
110.34322	0.2
113.06140	0.3
116.07166	0.3
121.06501	0.3
121.10134	0.3
121.46683	0.3
123.04486	0.3
124.07623	0.4
127.03927	100.0
128.04288	0.7
128.07101	1.3
129.07422	0.4
129.10234	0.3
137.02362	0.8
137.06021	0.2
145.03906	0.4
145.04990	3.4
149.29115	0.2
159.11354	1.0
162.97153	0.2
163.03978	0.4
163.06036	0.8
164.07216	0.3
169.05159	0.3
173.12941	0.4
181.05026	0.3
187.06084	0.9
187.10860	0.3
205.07230	0.3
247.12968	0.7
271.05884	0.5
271.08466	0.5
289.08752	0.2
294.14560	0.2
307.57056	0.2
312.34192	0.3
357.20837	0.2
415.10312	0.3
433.11447	0.6
433.16809	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1342
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
50.33485	0.2
53.03945	1.2
55.01876	0.4
57.03423	0.4
60.08173	0.2
61.02931	0.3
65.40588	0.2
69.03438	2.3
70.06580	0.3
71.04968	0.4
71.28970	0.5
72.08131	0.6
73.02920	0.6
81.03418	2.8
81.62854	0.2
83.05022	0.2
85.02905	5.6
86.09724	0.3
97.02894	3.9
99.04459	3.8
103.03945	3.8
105.49380	0.2
109.02887	2.8
115.03924	0.3
118.07275	0.2
118.52878	0.3
127.03919	100.0
128.04265	1.0
134.87889	0.2
137.02295	0.4
145.04959	3.6
163.05994	0.3
167.23779	0.3
169.05110	0.3
181.05002	0.8
187.06091	0.4
197.01123	0.2
204.80202	0.3
271.06067	1.0
271.08521	0.3
271.25839	0.2
403.13791	0.3
415.10345	0.2
433.16296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1127
Annotation	SCHEMBL1689483
Peak:m/z	Relative Intensity
53.03946	0.2
55.05519	0.2
57.03414	0.2
60.12553	0.1
65.03958	0.2
67.01890	0.2
67.05501	0.2
68.99766	0.8
69.03436	0.6
69.07072	0.2
70.06596	0.5
71.04990	0.6
71.14744	0.3
71.15078	0.2
72.08155	0.9
72.57834	0.1
79.05487	0.4
81.03419	0.4
81.07056	0.6
83.04998	0.2
84.08136	1.8
85.02905	1.0
86.09716	0.4
90.03948	0.2
91.05001	0.2
91.05472	1.2
92.35623	0.1
93.07020	0.3
94.47222	0.1
95.04990	0.2
95.08624	0.4
97.02905	0.6
97.06525	0.3
99.04483	0.3
99.08040	0.1
105.03400	0.4
105.07040	0.4
107.04963	0.6
107.08594	0.3
107.26126	0.2
109.02874	0.6
109.10151	0.2
111.00826	1.0
111.04464	0.2
115.05490	0.1
119.04957	0.6
119.08579	0.3
121.02862	3.2
121.10124	0.3
125.09598	0.2
127.03923	1.2
128.06235	0.2
129.06995	0.1
130.08710	0.3
131.04933	0.2
131.08559	0.3
133.02861	0.6
135.04420	0.2
136.07591	0.4
137.02336	1.4
137.06015	0.3
139.07574	0.1
141.06992	0.4
145.02852	1.0
145.06490	0.5
145.10081	0.2
147.04375	1.1
147.06747	0.2
149.02335	1.2
153.01828	7.3
157.06516	0.4
159.04439	0.5
159.08018	0.2
159.45155	0.1
161.05960	0.3
164.07085	0.8
165.01836	2.5
165.12762	0.1
169.05176	0.1
169.06442	0.7
171.04391	0.2
173.05959	0.2
174.58147	0.1
175.07497	0.3
177.05431	0.2
181.05081	0.2
183.02898	1.0
183.04279	0.2
185.05876	0.7
185.15346	0.4
187.03926	0.2
187.07542	0.3
187.11081	0.1
189.05368	0.2
191.08195	0.3
193.08618	0.2
197.05960	1.0
203.06960	0.2
213.05501	1.7
215.07051	3.0
217.04907	0.2
225.05368	0.2
231.06552	0.6
241.04987	0.9
242.05853	0.1
243.06514	2.3
253.04890	1.0
253.09610	0.1
258.05188	1.3
259.06061	0.5
271.06006	57.4
272.06345	1.1
283.06104	0.4
287.05487	100.0
288.05777	1.9
358.07346	0.1
397.08835	0.2
397.30502	0.3
397.47763	0.2
433.11261	0.5
433.32352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	SCHEMBL1689483
Peak:m/z	Relative Intensity
53.03938	0.3
55.01874	0.3
55.05507	0.2
57.03436	0.2
65.03947	0.3
67.01872	0.2
67.05501	0.3
68.99789	1.2
69.03426	0.7
69.07052	0.2
69.34149	0.7
69.34555	0.3
70.06583	0.8
71.04988	0.5
72.08157	0.7
74.43092	0.1
79.05487	0.6
81.03414	0.5
81.07067	0.4
83.04988	0.2
84.08145	2.0
85.02914	1.2
85.06591	0.2
86.09718	0.6
91.05470	1.2
93.07040	0.3
94.02435	0.1
95.04961	0.1
95.08600	0.2
97.02885	0.5
97.06520	0.3
98.52500	0.1
99.04463	0.3
103.05435	0.2
105.03380	0.5
105.07042	0.3
107.04942	0.8
107.08612	0.3
107.47749	0.1
109.02899	0.7
109.06524	0.2
109.10120	0.2
111.00807	0.9
111.24347	0.1
115.05399	0.1
116.07102	0.1
117.07016	0.1
119.04935	0.6
119.08578	0.2
121.02869	3.1
121.06525	0.1
121.10150	0.4
122.06004	0.1
123.08083	0.2
124.07569	0.3
127.03931	1.3
127.07593	0.2
128.06213	0.1
128.07089	0.2
129.05431	0.2
129.06990	0.3
130.08620	0.2
131.04982	0.3
131.08527	0.2
133.02879	0.8
133.10141	0.2
135.04436	0.2
136.07591	0.4
137.02370	0.9
137.05974	0.3
138.09164	0.3
141.06998	0.5
145.02843	0.9
145.04887	0.1
145.06493	0.5
145.10129	0.2
147.04430	0.9
147.08063	0.1
147.11569	0.1
149.02345	1.8
149.13297	0.2
153.01826	9.3
157.06435	0.6
159.04449	0.7
159.08145	0.1
159.11674	0.2
161.05969	0.4
163.03899	0.2
164.07048	0.6
165.01825	2.4
169.06447	0.9
169.08691	0.1
171.04478	0.2
173.05911	0.3
175.03944	0.1
175.07480	0.2
175.08789	0.2
177.05449	0.2
181.05048	0.2
183.02925	1.3
185.06001	0.6
185.15385	0.2
187.03949	0.3
187.07550	0.3
189.05533	0.2
191.08180	0.5
193.08580	0.3
197.06035	0.9
199.03987	0.2
201.05688	0.2
203.03291	0.2
203.07024	0.2
205.06993	0.2
213.05515	1.6
215.05045	0.2
215.07042	3.7
225.05466	0.4
229.05014	0.3
231.06496	0.8
235.13075	0.2
241.05034	0.9
242.05727	0.2
243.06512	2.8
243.10350	0.2
253.04916	1.2
258.05280	1.3
259.06046	0.4
270.05093	0.2
271.06012	65.2
272.06348	1.2
287.05493	100.0
288.05835	2.0
307.12839	0.2
313.07285	0.3
397.30420	0.3
415.14957	0.2
415.31479	0.4
433.10974	0.3
433.20132	0.4
433.32480	0.2
434.12198	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	432.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.0
55.05508	1.2
57.03418	1.4
57.95905	0.8
59.04999	9.5
61.02930	1.8
69.03424	4.6
69.82127	4.7
70.06580	4.7
71.02355	1.0
72.08164	6.1
74.06092	1.1
80.05075	1.0
81.03417	2.9
84.04510	2.0
84.08138	3.3
85.02911	11.6
86.09693	5.2
87.04466	2.1
89.06034	100.0
91.05495	2.5
97.02897	5.3
99.04403	2.4
103.03941	1.2
103.07593	1.5
107.04958	3.8
107.07078	7.5
108.04468	1.4
108.08142	1.4
109.02891	1.4
110.05995	1.2
110.07174	3.2
116.07069	2.0
124.07587	2.3
127.03921	27.3
129.10254	2.3
133.08603	41.9
135.04416	11.0
136.07610	1.7
140.06999	1.0
145.04999	2.8
147.04391	1.4
149.00584	1.1
151.09647	6.3
152.07068	1.8
153.03658	1.5
166.08626	1.2
177.11252	8.1
180.06517	1.2
181.03168	5.7
195.12292	69.6
234.07747	1.2
244.48273	1.1
253.05290	4.7
253.16467	98.4
254.16841	2.1
270.07941	4.5
285.87686	1.1
324.62726	1.0
388.86200	1.0
432.18079	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
55.05509	7.3
57.03430	1.5
57.07079	22.7
65.22995	0.8
67.01866	2.1
67.05174	0.8
67.05506	4.2
68.04843	0.9
69.07065	9.0
71.08640	16.6
71.29472	1.2
79.05487	1.5
81.07062	11.0
83.04978	2.6
83.08624	7.2
84.88823	0.7
85.10175	8.2
91.05469	2.6
93.07055	7.2
95.08611	11.4
97.10154	4.4
99.11743	1.7
99.26449	0.9
105.07042	1.7
109.06528	4.3
109.10154	4.6
111.11707	2.8
117.07059	0.9
119.08595	2.5
121.06498	2.0
123.08064	3.2
123.11691	1.9
125.13264	0.9
131.08600	2.4
133.06491	1.4
135.08054	2.2
136.21132	0.9
137.05989	19.2
137.09621	1.3
138.06789	1.3
139.07510	4.5
143.08586	1.3
146.07286	1.0
147.08078	5.0
149.05995	5.3
151.07552	38.6
152.55780	0.8
157.10115	1.9
159.08083	2.8
161.06012	5.3
161.09645	3.0
163.07481	1.0
165.05478	10.3
165.09134	12.1
167.07050	100.0
168.07393	1.3
175.07545	6.0
175.11237	1.9
177.09102	6.3
178.06216	1.1
179.07033	5.3
179.10698	3.6
181.08624	5.9
188.08440	1.3
189.09084	8.0
189.12767	1.7
191.07051	3.6
191.10664	2.6
192.07896	1.2
193.08656	9.4
195.10156	1.2
199.11548	0.8
202.09961	1.1
203.10690	6.4
205.08737	0.9
205.12328	2.1
207.10173	13.2
217.12193	3.9
221.11772	7.3
231.13936	2.0
235.13300	2.6
249.14961	1.4
290.48679	0.9
291.19684	1.4
305.21423	1.3
373.31641	1.0
385.34689	1.8
403.35614	1.6
413.34216	4.8
431.35245	36.8
432.35843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.05515	0.5
57.03431	0.5
61.96284	0.4
63.41987	0.4
65.03935	1.1
67.05508	2.9
69.03429	1.1
69.07059	0.8
70.06577	1.9
70.52316	1.3
72.08160	2.5
79.05482	1.3
79.53992	0.4
80.05009	1.3
81.03402	2.0
81.07047	1.6
83.04980	0.8
84.04516	0.8
84.08136	1.5
85.02908	1.5
86.09703	5.3
89.03902	1.7
91.05437	0.7
93.05781	0.7
93.07021	0.9
94.06572	19.6
95.04956	1.8
95.08629	0.8
96.04506	0.6
97.02885	2.1
97.06505	0.7
99.04433	1.0
105.07009	1.0
107.08596	1.0
108.08122	0.9
109.02869	1.3
109.06477	0.7
109.10181	0.7
113.06021	0.6
116.04988	9.7
118.06505	0.6
119.96625	0.6
121.10136	0.6
122.06034	60.9
123.04414	0.6
123.06817	1.3
123.08059	0.9
124.07554	1.3
125.09669	0.5
127.03903	1.1
128.07109	0.9
134.06020	0.7
136.07581	10.8
137.02327	0.6
139.11157	0.6
140.07056	2.6
143.11806	0.5
144.04448	18.7
145.04878	0.5
146.06004	5.5
147.04442	0.6
147.11678	0.5
148.07480	0.6
150.27327	0.5
152.07047	2.1
162.05516	8.4
163.67676	0.5
164.07080	9.2
172.03940	59.9
173.04321	1.7
174.05524	2.5
176.06976	0.5
182.08072	0.6
183.13824	1.0
190.04974	3.2
204.06569	100.0
204.38272	0.6
205.06966	1.9
206.08144	8.1
226.07124	7.8
267.11325	1.1
287.13821	1.1
295.10843	1.2
313.11807	1.2
327.13403	5.8
399.11752	2.4
413.17990	0.7
431.14185	1.2
431.19052	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	431.1338
Annotation	Ononin
Peak:m/z	Relative Intensity
50.11838	0.1
53.03953	0.1
55.05500	0.1
56.21121	0.1
67.05497	0.2
68.99771	0.1
69.03426	0.1
70.06586	0.3
70.46241	0.2
70.46589	0.2
71.04984	0.1
72.08148	0.2
79.05480	0.2
81.03415	0.3
81.07040	0.2
85.02908	0.1
89.06024	0.1
91.05475	0.2
93.07070	0.2
95.04963	0.2
97.02890	0.3
103.05461	0.1
105.07032	0.3
107.04963	1.6
107.08633	0.1
108.02087	0.2
109.10152	0.1
118.04163	2.9
119.08587	0.2
121.10114	0.1
123.04439	0.3
128.06230	0.1
128.78468	0.1
133.02827	0.2
133.06482	0.5
136.01599	0.4
136.07632	0.1
137.02327	0.9
137.05974	0.1
145.10129	0.1
147.04407	0.1
152.06145	0.2
153.07031	0.1
154.02635	1.1
156.05696	0.2
158.07242	0.2
163.03917	0.3
164.07053	0.2
165.12672	0.1
167.07088	0.1
169.06438	0.2
170.07298	0.5
171.08084	0.2
181.06470	0.6
182.07234	0.4
183.07983	0.1
184.05226	0.2
185.09683	0.2
195.08005	0.1
197.05965	1.4
198.06775	0.9
199.07494	0.1
209.05881	0.2
213.09114	5.8
214.09425	0.1
217.90469	0.1
225.05511	0.9
226.06235	3.7
237.05469	5.0
238.05907	0.1
239.07027	0.1
241.08598	0.3
243.15813	0.2
253.04967	4.3
254.05740	5.8
269.08075	100.0
270.08447	2.5
299.09070	0.2
441.22345	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	431.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01859	0.3
55.05510	0.5
55.97696	0.2
56.62436	0.2
57.03431	0.3
67.05516	0.5
69.03417	0.8
69.07051	0.8
69.22849	1.5
69.23271	1.0
70.06592	1.2
71.04965	0.4
72.07514	0.2
72.08183	1.3
74.94732	0.3
79.05479	0.9
81.03406	0.7
81.07050	1.4
83.04964	0.5
84.08134	1.0
91.05488	0.6
93.07030	0.7
95.04964	0.7
95.08595	1.0
97.02907	1.3
97.06519	0.7
98.20776	0.5
99.04391	0.2
103.05508	0.3
105.07028	1.1
107.04966	1.9
107.08573	0.6
109.02863	0.6
109.06553	0.3
109.10130	0.7
109.16449	0.3
118.04165	2.7
119.08568	0.8
121.06479	0.3
121.10130	0.8
123.04451	0.5
123.08101	0.5
123.11723	0.4
125.06006	0.3
127.03946	0.3
131.08546	0.6
133.02864	0.3
133.10152	0.3
133.92786	0.3
135.04369	0.3
135.08026	0.3
135.11612	0.4
136.01564	0.3
136.07561	2.4
137.02328	1.1
137.05980	0.4
143.08537	0.3
145.10127	0.4
147.11688	0.4
151.07579	0.4
152.07126	0.3
154.02647	1.1
155.08588	0.4
156.05696	0.3
157.10165	0.5
157.67325	0.2
159.11694	0.4
160.08730	0.3
161.09607	0.3
163.03885	0.6
163.11256	0.3
164.07066	1.7
165.06963	0.2
167.07057	0.4
170.07253	0.4
181.06531	0.7
197.05933	1.7
198.06763	1.0
199.07576	0.2
213.09125	5.8
213.16460	0.3
225.05510	0.6
226.06230	3.1
235.09602	0.3
237.05489	4.9
241.08577	0.3
253.04971	3.8
254.05746	6.0
255.06552	0.2
269.08087	100.0
270.08463	2.3
284.92877	0.3
387.19257	0.3
431.14090	0.4
431.21173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83115	0.3
55.05502	0.5
57.07079	2.7
58.07397	0.8
64.55221	0.4
67.05512	3.8
69.07071	0.8
70.15880	1.6
71.08629	2.0
79.05499	0.5
81.07072	1.9
82.07360	0.4
84.63757	0.3
85.10164	1.1
91.05473	1.0
93.07061	2.1
95.08596	1.2
98.21500	0.4
105.07044	0.8
107.04935	0.4
107.08575	1.2
108.09412	0.5
109.10163	5.0
117.06981	0.6
119.08611	3.2
121.06506	10.3
121.10147	0.5
122.07276	1.7
123.08054	0.6
125.05920	0.5
131.08522	0.8
135.08057	1.4
135.11700	0.5
136.08842	12.9
137.09627	13.5
138.10057	0.5
145.10043	0.6
149.05971	0.6
149.09628	3.4
150.09940	1.1
151.07533	0.7
152.08287	1.5
159.11693	0.7
162.06769	0.4
163.11223	2.0
164.08342	31.4
164.11479	1.3
165.09120	100.0
166.09464	7.9
173.09619	0.5
175.11285	0.6
177.09062	2.7
177.12743	0.7
178.09671	1.2
187.11194	0.5
187.14592	0.4
187.29750	0.4
190.09859	0.7
190.13217	0.5
191.10597	1.7
192.10936	0.6
201.12698	0.7
205.12260	8.5
206.12613	1.0
219.13831	0.6
220.14105	0.7
304.23447	0.6
318.25146	0.5
387.32794	0.4
430.38022	72.4
431.38367	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	430.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
53.13553	2.1
55.01872	8.8
57.03189	2.3
57.03442	22.2
57.07076	14.8
59.04997	4.6
61.02933	16.8
63.04499	23.8
67.05515	3.2
69.03081	3.1
69.03436	37.2
69.07079	2.7
70.06603	11.4
71.01339	5.9
72.08162	4.5
73.02924	90.0
81.03407	8.5
85.02912	83.8
85.49912	2.5
86.09699	21.4
87.04469	6.6
91.03950	3.8
95.08640	2.1
97.02899	67.7
99.04472	5.8
99.79573	1.9
103.03940	4.4
109.02889	7.9
115.03934	32.4
116.07085	4.5
119.10706	100.0
122.91425	2.6
127.03926	23.8
133.04984	37.2
135.04457	2.6
138.09477	2.0
140.29189	2.5
145.04968	35.4
147.04427	3.3
158.12302	1.9
163.06067	13.8
193.04808	3.3
199.18053	3.9
215.12857	5.0
223.06104	6.9
235.07472	2.9
241.07103	7.8
251.14861	4.2
259.08130	9.6
270.35049	2.3
281.15790	2.8
295.10330	2.6
315.13577	2.2
353.36230	2.3
436.43170	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
54.62518	1.7
55.01858	3.5
55.05299	1.9
55.05516	20.0
57.03438	2.9
57.07079	27.6
62.05424	1.9
65.03936	2.0
67.05510	35.3
67.05869	2.0
69.03419	5.5
69.07073	44.1
71.04998	3.1
71.08631	18.1
71.26669	1.5
73.49706	1.5
75.50846	1.5
77.30967	1.5
79.05493	19.1
81.03418	5.9
81.07064	77.9
83.08618	25.9
85.02930	2.2
85.06567	1.9
85.10200	11.4
91.05418	10.2
93.06473	3.2
93.07051	46.9
95.04952	3.1
95.08616	100.0
97.02900	31.6
97.06527	3.1
97.10178	20.2
98.21510	4.3
99.04493	12.9
99.96428	1.9
101.06038	1.9
105.07034	18.9
107.08604	55.1
109.02895	3.2
109.06547	2.6
109.10167	58.5
111.08055	2.5
111.11718	9.3
115.07561	3.9
119.08596	15.4
121.10146	45.0
123.08086	2.2
123.11715	26.5
127.03921	12.4
127.07554	3.2
131.08572	3.1
133.10120	13.7
135.11700	26.7
137.09628	3.6
137.13272	17.5
139.07571	1.8
139.11174	1.7
139.14726	2.0
141.09042	2.0
145.04977	2.4
145.10124	3.6
147.11699	9.1
149.13275	56.9
150.13641	1.9
151.11159	4.2
151.14893	3.9
153.09100	2.2
154.75568	1.7
159.11722	3.6
161.13283	6.2
163.11171	4.7
163.14825	39.5
165.09081	2.2
165.12758	2.9
165.16434	2.9
167.05606	1.7
167.10681	5.4
171.11728	1.8
175.14900	8.2
177.16405	47.9
179.17944	2.4
181.12247	7.8
187.14828	2.3
189.16429	11.3
191.17972	17.0
195.13840	8.8
201.16403	1.8
203.17989	12.3
205.19496	5.6
209.15305	2.9
217.19498	6.8
231.20927	2.7
237.18497	5.1
245.22583	2.0
247.24220	6.6
249.25864	2.0
251.20181	3.3
259.24295	2.5
267.26840	18.9
273.25876	4.3
342.99771	2.0
421.12305	2.1
429.19092	6.0
429.31836	22.4
429.37277	47.0
430.37216	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
54.80241	0.6
55.05516	4.0
55.15446	0.8
57.06827	1.3
57.07080	16.3
63.03526	0.7
67.05505	4.6
69.07071	4.5
70.68303	1.3
71.08636	11.9
79.05494	1.8
81.07063	6.8
83.04961	1.3
83.08618	3.3
85.10190	4.9
91.05483	2.0
93.07053	1.9
95.08622	4.5
97.10175	1.4
102.52747	0.9
105.07029	1.1
107.08599	4.6
109.10155	5.1
111.11779	1.3
119.08589	4.1
121.06490	1.4
121.10162	3.0
122.07270	1.0
123.11630	1.3
131.08569	1.8
135.08041	4.3
135.11678	1.4
136.08865	1.0
137.09631	9.2
139.07576	2.3
145.10130	2.1
149.09621	13.8
151.07533	1.3
159.11696	2.8
161.05956	0.8
162.06764	1.3
163.07584	0.8
163.11194	22.1
164.08371	1.0
165.09122	100.0
166.09459	1.7
173.09648	2.2
173.13239	1.8
175.07547	0.9
175.11183	6.2
176.08350	2.0
177.09116	14.2
177.12729	2.7
177.45848	0.7
179.10721	2.0
186.10440	0.9
187.11206	2.5
187.14813	0.9
189.12724	1.8
190.09853	1.4
191.10693	10.5
201.12740	3.0
203.10764	1.4
203.14337	1.7
204.11598	0.9
205.12277	9.8
215.14326	3.6
219.13812	6.4
233.15338	3.3
247.16939	2.1
261.18591	0.9
289.21680	1.3
303.23230	2.3
317.24789	1.2
345.27823	1.5
373.30930	1.7
401.34067	2.9
411.36160	2.1
429.37305	44.9
430.37842	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	429.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01884	0.8
55.05516	18.1
57.03427	0.6
57.06828	0.7
57.07089	6.9
59.04999	1.1
65.03946	1.4
67.05512	25.4
69.03430	0.8
69.07074	38.0
70.43579	0.5
71.04993	2.6
71.08628	2.3
75.86749	0.5
77.03928	1.1
79.05499	19.2
81.03420	0.7
81.07064	65.8
82.51059	0.6
83.04961	1.2
83.08628	18.2
85.02904	0.8
85.06557	2.4
85.10201	1.0
90.61075	0.7
91.05482	9.9
93.07053	46.4
95.04972	1.8
95.08616	100.0
96.08925	1.1
97.02875	0.7
97.06538	2.4
97.10183	13.1
99.04473	5.3
101.06004	1.9
105.07044	14.2
107.08604	58.7
109.06534	2.4
109.10167	56.9
111.08086	1.6
111.11729	3.9
113.05995	1.2
115.07578	2.3
117.07072	0.7
119.08598	13.7
121.06491	0.6
121.10154	50.6
122.10510	0.7
123.08090	2.2
123.11719	26.1
124.12096	0.8
125.09654	1.4
125.13283	1.9
127.07594	1.6
129.09128	2.6
131.08606	1.2
133.10141	13.6
135.08069	1.3
135.10678	1.4
135.11705	28.8
137.09610	3.7
137.13275	9.8
139.07532	0.6
141.09146	2.1
143.10663	1.5
145.10167	1.9
147.11713	9.2
149.09653	2.1
149.13272	60.3
151.11198	5.5
151.14806	3.2
153.09142	2.1
155.10704	1.9
159.11713	1.6
161.13245	5.4
163.11198	2.8
163.14836	49.1
164.15211	0.9
165.12781	1.9
165.16463	3.2
167.10730	4.4
169.12311	2.0
173.13255	1.4
175.14825	8.8
177.12929	2.9
177.16402	51.2
178.16724	0.6
179.14349	1.7
179.17995	2.2
181.12231	8.3
181.13690	0.8
183.13914	0.8
187.14856	2.8
189.16396	10.9
191.17967	19.4
193.15823	0.9
193.19585	0.9
195.13817	11.3
203.17976	11.9
205.19536	7.8
207.17451	1.8
209.15402	2.3
213.05388	0.6
215.17958	0.9
217.19516	7.9
218.11517	0.6
219.21112	1.1
223.16966	2.9
231.20972	3.1
233.19096	1.3
233.22737	2.0
235.16914	1.0
237.18520	3.7
245.22633	1.4
247.24217	7.1
251.20067	4.0
259.24213	1.8
265.21606	0.9
273.25775	5.1
287.27316	1.6
291.23373	1.3
301.28857	1.4
302.75079	0.6
305.24799	2.6
315.30515	0.9
359.29410	1.1
373.31100	1.7
411.36380	1.3
429.19153	2.9
429.37305	53.6
430.37524	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	429.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.05515	16.0
57.07079	12.6
57.68439	1.7
63.89148	1.5
67.05502	8.1
69.07071	48.8
70.62220	4.1
70.62605	2.6
71.08632	5.0
77.70892	1.5
79.05483	3.1
81.07068	18.2
83.04978	2.5
83.08620	25.3
85.10169	3.3
91.05465	4.7
93.07062	11.3
95.08611	17.5
97.02929	2.5
97.10179	14.2
98.21262	2.8
105.07001	3.7
107.08587	6.1
109.06508	4.8
109.10156	8.0
111.11684	8.1
119.08569	4.6
121.06512	2.6
121.10175	4.1
123.08112	2.7
123.11707	7.3
125.13284	2.1
131.08524	2.1
133.10162	2.6
137.05975	14.2
137.13260	4.3
139.07552	3.5
141.05418	3.2
145.10181	2.0
147.08017	3.9
149.05945	3.6
149.13341	2.3
151.07552	21.9
157.10088	2.2
159.08078	3.1
161.06010	4.3
163.07619	2.1
165.05473	10.8
165.09125	11.7
167.07056	100.0
173.13307	2.3
175.07565	4.8
177.09088	3.9
179.06976	3.6
179.10750	2.5
181.06993	1.8
181.08640	5.2
189.09116	5.4
191.06917	3.8
191.10680	2.1
192.07730	2.1
193.08592	7.0
203.10710	4.3
205.08598	6.4
205.12402	2.3
207.10130	10.8
215.10777	2.3
219.10115	4.6
221.11699	4.1
235.13347	2.0
249.14981	2.0
291.19485	2.7
319.12134	1.8
319.45190	1.8
347.25830	2.3
385.14407	2.1
411.32053	2.7
413.13858	2.3
414.14502	2.6
415.15576	2.3
429.16727	25.4
429.33661	12.8
430.17645	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	429.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.6
57.03439	4.7
57.07069	1.0
67.05508	8.7
69.07078	2.8
69.79776	2.5
76.65247	0.5
79.05495	9.3
81.03428	2.4
81.07059	12.8
83.08635	1.4
85.38815	0.5
91.05464	6.3
93.07050	12.2
95.04956	1.6
95.08616	8.2
97.10159	0.6
98.21590	0.8
98.98483	1.1
99.08085	0.8
104.15253	0.5
105.07043	5.3
107.08610	8.1
109.06499	0.6
109.10150	3.7
113.00025	100.0
117.07037	1.8
119.08585	3.5
121.10164	7.4
123.11714	2.2
129.06934	0.6
131.01076	0.6
131.08575	4.3
133.06512	0.7
133.10156	3.9
135.11711	4.7
137.13272	1.0
139.01642	0.8
143.08543	0.8
145.10146	4.7
147.11693	2.3
149.02304	0.9
149.09627	1.1
149.13283	3.4
154.02634	1.0
155.01031	0.8
155.10149	0.5
157.10112	1.1
158.29279	0.5
159.11687	2.6
161.13292	1.9
163.03876	1.2
163.11220	1.0
163.14810	2.0
169.02623	81.4
170.02971	0.6
173.02376	0.6
173.13310	3.2
175.14842	0.8
177.16385	1.2
181.06604	0.5
181.97470	0.5
187.03767	0.7
187.14851	1.4
193.04948	0.6
199.03958	0.8
201.05562	0.9
211.13289	1.0
211.84486	0.6
233.22701	1.3
240.61890	0.6
243.21089	8.0
261.22168	20.4
262.22531	1.0
275.23630	1.0
322.59204	0.6
355.15274	0.9
429.12735	1.1
429.19019	6.0
429.24048	1.0
429.31873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.1
54.95510	3.2
55.01878	15.0
55.02085	2.5
55.05509	21.6
57.03440	27.5
61.02934	33.4
65.03951	4.6
67.05507	32.9
69.03431	26.8
69.07060	8.4
70.06585	6.3
70.23637	6.1
71.01350	6.6
71.04993	7.3
72.08148	4.9
73.02902	17.3
73.04753	3.5
79.05489	35.6
81.03422	100.0
81.07058	32.1
83.04981	14.1
83.08621	17.3
84.08157	3.4
85.02908	46.6
85.85151	3.1
86.09718	7.1
87.00837	3.8
91.03957	19.2
91.05457	41.9
93.07046	30.4
95.01338	4.9
95.04977	73.7
95.08614	11.6
97.02898	40.5
97.06552	6.5
97.10167	8.3
99.04455	7.5
100.33028	2.9
101.02416	7.2
103.03934	14.1
103.05456	4.0
105.07047	28.0
107.04968	23.1
107.05584	3.1
107.08571	22.6
109.02917	19.9
109.03551	4.7
109.06497	11.5
109.10159	6.7
111.04446	11.5
111.08074	9.9
115.05442	3.9
117.05474	2.6
117.07031	8.0
119.04897	5.4
119.08580	24.0
121.02837	3.6
121.06529	15.2
121.10146	10.4
123.04441	33.8
123.08067	4.5
125.09638	4.8
127.03909	22.5
128.06216	3.0
129.06984	14.9
131.04919	5.2
131.08578	19.1
133.06461	6.9
133.10127	7.8
135.08078	6.9
135.11684	8.6
136.07532	5.6
136.61195	3.2
137.02434	2.9
137.05968	9.3
141.06952	4.6
142.07755	3.8
143.08522	5.6
145.04982	7.1
145.06519	6.5
145.10121	20.8
147.04395	15.8
147.08049	7.7
147.11670	16.1
149.05968	8.4
149.09628	8.4
153.09134	3.2
155.08449	4.6
157.06561	6.1
157.10101	12.7
160.05246	2.9
161.05980	10.5
161.09476	4.4
161.13213	5.1
162.76637	3.4
163.03909	4.3
163.07486	4.3
163.11163	22.3
167.07027	10.9
169.06447	3.2
171.11739	8.1
173.09607	5.6
173.13086	3.3
174.06631	5.2
175.07462	3.7
175.11200	11.8
189.05589	7.0
189.09142	4.5
189.12753	12.7
191.10732	5.5
193.12282	32.8
201.05510	3.6
202.12190	3.5
205.12305	7.3
207.13753	7.7
211.13330	22.2
213.05537	4.1
217.12186	6.8
219.10129	3.7
225.05487	3.3
231.13791	5.1
235.13316	58.8
243.11397	4.7
249.14822	7.9
253.14427	5.5
259.13303	12.6
267.15970	34.5
273.14905	27.4
277.14438	5.5
283.13257	4.4
285.12302	4.3
289.14450	3.5
291.15933	3.1
301.14291	22.6
309.17053	30.9
319.15207	8.1
333.17032	4.4
337.14099	3.4
351.17929	3.3
355.15240	4.6
375.18143	17.4
387.96875	3.4
393.18991	12.8
411.20303	7.1
429.21188	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.6
55.01877	5.2
55.05515	19.5
57.03442	16.8
61.02935	3.6
61.90867	1.7
67.05511	19.1
69.03438	29.6
69.07063	6.3
71.01340	2.6
71.05000	7.3
71.55281	1.7
73.02922	2.6
79.05499	23.5
81.03424	92.4
81.07067	25.1
83.04986	18.7
83.08630	23.6
85.02917	23.9
85.06568	2.6
91.05460	21.6
93.07050	16.6
95.04979	23.6
95.08626	12.4
97.02904	49.3
97.06546	8.8
97.10202	5.7
99.04462	7.0
101.02376	2.7
105.07047	17.0
107.04984	5.6
107.08588	12.8
109.02908	11.8
109.06529	4.5
109.10187	6.2
111.04462	10.0
111.08078	12.3
113.06036	1.9
117.06995	3.8
119.08593	16.6
121.06569	3.0
121.10161	10.7
123.04450	1.9
123.08109	3.4
123.11732	2.5
125.09602	3.4
127.03941	14.3
129.05507	4.6
129.06998	11.4
131.05016	2.1
131.08575	11.5
133.06506	3.1
133.10155	10.1
135.08119	2.5
135.11737	3.2
137.09610	2.8
142.07808	3.0
143.08647	2.6
145.04962	3.4
145.10153	5.7
147.04395	2.8
147.08139	4.4
147.11723	14.5
149.02376	8.6
149.09663	7.2
153.05489	4.6
153.12804	3.8
157.10173	11.6
159.11743	2.6
163.03938	4.6
163.11226	5.6
165.12836	5.1
167.05569	1.8
167.07056	2.6
175.11224	14.1
183.06647	3.4
191.10783	2.9
193.05052	6.3
193.12256	63.2
211.13315	100.0
227.12762	4.4
229.14417	2.8
235.13307	2.4
247.13403	2.2
249.14908	9.3
285.17102	15.6
313.16696	3.0
355.17654	6.0
359.02823	2.8
411.20193	4.7
429.11966	6.1
429.21292	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05495	0.5
56.05029	0.6
61.02925	1.0
69.03452	2.3
69.43684	4.1
70.06592	2.0
71.04985	0.5
72.08157	2.2
73.02898	0.5
73.04734	0.6
81.03411	1.3
84.04510	16.1
84.08147	1.3
85.02913	5.2
86.09707	1.1
87.04449	0.6
91.05389	0.8
91.05862	1.3
93.07062	4.0
95.05001	0.7
97.02892	2.2
100.20448	0.5
102.05547	1.1
103.05472	2.9
109.02908	1.1
116.07066	0.7
121.06511	100.0
122.06860	1.7
127.03951	1.2
130.05017	18.1
138.09148	38.7
152.07181	0.6
163.03926	0.6
167.05634	0.8
176.28526	0.5
204.10202	4.0
221.12868	2.1
250.10786	17.7
250.78917	0.5
256.07794	0.5
267.13416	52.1
268.13812	0.6
309.14325	0.6
342.99850	0.5
345.14313	0.6
359.02744	2.5
411.17450	0.6
429.14490	0.8
429.21057	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	429.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
53.35598	0.8
55.01877	5.3
55.05508	1.6
57.03434	5.4
61.02921	3.7
67.05509	1.9
68.99797	1.7
69.03076	1.7
69.03433	24.8
69.07067	1.5
69.72462	5.5
70.06577	2.1
71.04990	4.1
72.43018	0.8
73.02905	4.3
76.47136	0.9
79.05496	3.2
81.02983	1.5
81.03422	22.1
81.07069	5.1
83.04979	2.9
83.94508	1.0
85.02909	43.8
85.33336	0.9
86.09727	1.9
87.00835	15.3
87.04507	1.2
91.03972	1.6
91.05462	7.5
93.07055	10.5
93.35465	1.0
95.04966	16.9
95.08579	1.4
97.02888	15.0
97.06505	1.2
98.20821	1.3
99.04466	10.0
102.17473	0.9
103.03960	2.0
105.01874	13.0
105.07027	9.3
107.04974	1.1
107.08600	10.2
109.02882	22.0
109.06532	2.7
117.01846	2.9
117.07034	3.0
119.08583	4.9
121.06499	4.2
121.10136	12.8
123.04420	1.6
125.06023	1.3
127.03924	35.7
128.04214	0.9
129.01826	3.3
129.07050	1.0
130.07765	2.8
130.38989	0.9
130.96317	0.8
133.10242	1.0
135.08089	1.4
135.11703	5.1
137.05975	1.3
140.78668	0.9
145.04959	13.5
145.10127	13.6
147.02895	2.8
147.04456	1.2
147.08005	2.0
149.06006	1.7
159.02892	14.5
161.09564	1.9
163.11188	100.0
164.11511	1.5
165.09134	1.5
167.06993	2.4
171.02831	1.3
175.11238	2.2
181.12262	5.8
187.11127	1.2
189.03918	2.8
193.12299	1.8
205.12282	4.5
213.03868	1.6
223.13312	8.1
231.05014	7.3
243.11511	1.1
245.27393	1.1
271.13321	1.5
285.11981	1.1
327.05206	1.0
393.15274	2.5
401.04807	1.1
401.11353	0.9
411.16360	2.2
429.17340	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	429.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	45.0
69.05358	0.5
69.19479	0.7
69.19711	3.1
69.20119	2.1
71.95274	0.7
72.96049	1.0
73.07404	0.5
74.97611	1.3
82.18246	0.5
84.96038	0.9
91.05479	1.1
116.00230	0.8
119.04948	1.2
123.04398	0.7
135.06770	1.5
136.07588	1.1
147.01216	0.7
150.09151	11.7
151.00694	2.8
158.98393	5.2
163.00684	4.9
164.02336	0.9
165.02260	10.2
165.90730	0.5
165.99350	3.3
167.00148	0.7
169.01738	4.3
176.99449	1.8
179.00160	2.4
181.01749	6.4
182.08131	2.2
183.03320	22.2
184.00481	5.0
184.83614	0.5
185.01231	1.1
187.02808	1.6
193.01701	2.1
196.09711	2.2
197.01195	2.0
199.02861	0.7
201.04367	14.9
204.03366	2.2
204.98138	2.2
206.04892	5.0
208.06458	6.0
211.02739	1.2
216.03226	3.3
219.02072	0.7
220.02814	1.5
220.04796	0.8
222.04372	2.1
222.99210	3.6
223.02715	0.8
224.05949	3.2
226.07448	3.2
227.02281	1.1
234.04381	28.7
235.05153	1.7
237.03139	0.7
238.03859	1.8
239.02242	0.7
250.03993	0.7
251.01006	0.8
252.05458	100.0
253.05917	2.1
256.05005	0.7
266.03378	3.5
266.06842	0.5
270.06506	48.6
271.06790	1.2
275.07013	1.9
284.04401	6.8
288.07605	0.7
307.06146	1.0
321.07532	1.9
323.09192	2.1
331.58896	0.7
345.78198	0.6
354.07248	7.6
370.09616	2.9
383.12750	1.2
385.14273	0.8
398.09222	1.7
411.12289	12.7
416.10098	1.4
426.10266	0.7
429.13373	77.7
430.13596	3.2
447.14404	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	427.3941
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05521	21.4
57.03450	3.5
57.07078	15.5
65.03940	2.7
67.05518	28.0
69.07074	35.4
70.69579	2.4
71.08637	8.0
71.29203	5.1
79.05491	19.6
81.07065	64.4
83.08624	22.9
85.06558	2.7
85.10187	3.3
89.18765	2.7
91.05483	14.7
93.07051	35.1
95.08619	100.0
96.08960	3.0
97.10185	11.4
105.07043	23.9
107.07877	3.2
107.08608	61.6
109.09459	4.9
109.10172	74.4
111.08082	13.8
111.11734	9.6
113.09673	4.2
119.08596	27.7
121.10159	52.1
123.08078	4.1
123.11728	36.1
124.48711	2.9
127.11266	3.1
131.08600	6.8
133.10146	24.2
135.11711	36.8
137.13266	21.7
139.11230	3.2
145.10156	8.8
147.11742	18.1
149.09718	2.6
149.13246	28.0
151.14868	8.5
159.11740	12.9
161.13309	19.2
163.14842	24.5
165.09140	6.7
165.12744	3.2
165.16347	3.5
173.13251	12.0
175.14856	17.2
177.16414	17.4
187.14850	13.5
189.12746	2.5
189.16428	16.3
191.17989	9.7
193.19592	4.2
201.16412	5.6
203.17998	9.1
205.19553	10.4
215.17993	6.6
217.19572	7.8
219.21107	12.8
229.19592	6.3
231.21083	8.9
233.22726	9.5
243.21104	6.5
245.22754	4.3
257.22751	4.1
261.25821	5.1
271.24222	4.0
283.24188	4.2
285.25693	2.6
287.27228	4.0
320.96017	2.5
323.77371	2.5
352.81693	2.7
353.32150	2.9
355.33676	5.1
409.38373	43.3
427.28839	15.8
427.39554	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	11.5
57.07070	10.4
63.43723	3.5
65.13478	3.7
67.05505	23.7
69.07072	25.4
70.06570	3.7
71.08634	16.8
71.70868	3.4
79.05503	18.4
81.03388	3.3
81.07058	37.7
83.04992	3.8
83.08612	11.6
91.05483	14.4
93.07047	23.5
95.04960	10.7
95.08609	30.9
97.06541	7.3
97.10172	4.2
99.08073	12.3
105.07023	20.5
107.08588	21.8
109.06513	23.4
109.10152	15.7
111.08041	4.6
115.08690	4.8
116.74664	3.2
119.08590	19.8
121.06495	15.1
121.10134	13.1
123.08032	6.2
123.11673	7.6
131.08572	10.2
133.10123	11.2
135.08061	6.1
135.11676	7.9
143.08527	5.6
145.10144	12.3
146.74361	3.6
147.11711	10.0
149.13266	8.9
157.10178	4.8
159.11729	8.5
161.13286	6.8
163.11127	6.9
163.14906	4.0
165.12755	57.3
166.25656	4.2
173.13264	3.6
175.14807	8.0
177.12706	7.3
177.16309	3.5
179.14293	4.9
185.13196	4.4
191.14291	5.3
209.19055	9.4
215.17943	5.9
229.19547	4.8
249.11322	8.9
279.19693	3.9
289.25278	24.5
317.21030	6.9
317.24765	100.0
318.24704	4.7
335.25848	26.4
371.19208	4.0
391.28384	17.0
409.29520	58.1
427.18011	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	427.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81311	2.4
53.03945	2.7
55.05510	17.0
57.07066	8.5
60.11060	2.7
67.05507	33.2
69.07066	32.2
70.16792	10.7
71.08651	4.0
72.82535	2.3
79.05499	15.0
81.07060	69.8
83.08619	15.0
86.87483	2.6
91.05486	14.8
93.07050	51.5
93.83192	2.7
94.07403	2.9
95.04955	2.5
95.08613	100.0
96.08923	4.3
97.10178	13.6
105.07035	33.5
107.08594	92.7
109.06503	4.3
109.10160	80.1
111.08075	5.0
111.11746	5.0
117.07043	2.4
119.08584	33.5
121.10145	83.8
122.76900	2.6
123.08060	2.8
123.11702	35.4
131.08632	5.0
133.10130	38.7
135.08142	2.6
135.11690	49.9
136.80324	2.7
137.13248	18.5
139.07533	6.5
143.08588	2.5
145.10150	7.3
147.11705	36.7
149.09622	6.3
149.13264	32.8
151.14812	7.3
153.09109	16.9
157.10031	3.0
159.11716	8.3
161.13277	25.5
163.14838	19.1
165.09135	6.1
167.10689	15.8
173.13347	5.8
175.14815	20.4
177.16383	18.8
179.10614	3.2
181.12294	6.1
187.14803	6.1
189.16383	17.5
191.17963	59.2
193.12253	4.3
195.13901	5.9
201.16449	7.0
203.17955	35.8
205.19563	13.2
207.13741	3.1
209.15361	6.7
217.19539	49.3
217.21576	3.5
219.21118	4.0
221.15358	3.2
223.16968	7.3
228.33659	2.6
229.19533	3.6
231.21149	11.0
235.16901	4.5
245.22681	3.6
293.21912	3.1
334.41843	2.9
357.27505	3.0
367.33438	7.3
409.34418	5.0
427.29663	4.6
427.35483	46.2
435.78796	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	427.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54496	2.3
53.03939	4.7
55.01864	4.8
55.05499	4.0
57.03419	2.7
57.07050	2.5
61.02913	3.7
62.89455	2.2
67.05489	5.6
69.03428	23.5
69.07041	2.6
70.06585	20.5
71.01360	3.6
71.04998	11.1
71.54202	3.6
72.08164	14.2
73.02869	3.0
79.05491	5.1
81.03427	14.3
81.07030	3.3
82.06581	2.4
83.04950	2.3
84.04501	4.4
84.08129	10.0
85.02910	42.6
86.06046	2.4
86.09682	6.3
87.00829	2.6
87.04460	3.3
88.03986	7.0
91.05484	13.8
93.07039	6.7
93.28732	2.3
94.04115	2.2
95.01309	6.6
95.04952	9.0
95.08607	5.5
96.04501	3.0
97.02880	17.8
97.06499	3.4
99.04436	4.1
100.07605	5.8
101.07970	2.4
105.07027	12.1
107.04955	4.2
107.08611	3.2
109.02883	10.8
109.06499	4.4
110.07101	2.6
111.04445	7.9
113.02386	3.4
117.07001	3.8
118.06633	2.3
118.08629	10.5
119.04958	19.5
119.08504	11.6
120.05270	8.5
121.02801	2.6
121.06490	9.4
121.10133	3.8
122.06036	4.1
123.04419	11.2
123.08073	5.1
127.03907	14.7
128.06223	2.5
129.07050	3.3
129.10339	2.6
131.08565	7.0
133.02835	9.3
133.06509	2.6
135.04398	3.3
135.08055	15.7
136.07523	2.6
136.73854	2.5
137.02283	3.0
137.05913	3.0
137.09601	4.6
141.06931	2.1
142.07732	3.8
145.04961	5.5
145.06476	3.9
145.10138	7.6
147.04407	77.3
147.08022	7.0
148.04742	52.5
150.07742	28.3
151.03873	5.8
151.07506	2.4
156.09149	2.7
157.10101	4.7
158.07228	3.1
159.08037	10.7
159.11691	8.5
161.09575	10.2
163.03871	7.9
165.09132	5.8
171.08070	3.6
173.09590	3.1
173.13278	4.3
175.07526	11.0
175.11166	5.9
177.05493	2.9
179.03395	100.0
183.01141	4.1
187.07545	4.3
187.11122	5.4
189.09067	4.7
189.12752	4.1
193.08653	3.3
199.11108	3.6
201.12723	6.1
202.11919	2.5
203.10699	13.7
205.03125	2.3
207.01134	8.9
211.11107	4.1
213.09016	5.5
217.08658	2.6
217.12253	4.9
219.13657	3.2
229.12146	4.5
233.02800	4.2
235.09540	3.0
235.13037	2.6
242.08139	5.3
247.13245	20.2
264.12271	3.2
265.11835	4.2
265.14612	28.7
275.03720	7.4
277.10730	20.7
277.13434	3.6
295.11502	6.0
297.04132	2.9
301.05423	2.4
303.03198	5.5
335.11945	2.4
339.05280	2.7
368.71826	2.6
390.63342	2.6
427.04828	6.2
427.19321	14.2
428.19171	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	426.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49696	0.3
54.84696	0.2
59.62695	0.3
65.03922	0.5
65.31698	0.3
67.18787	0.3
69.03427	0.8
70.06605	2.0
70.89114	0.3
71.04988	0.3
71.06495	0.5
84.08140	0.3
85.02911	1.2
87.04476	1.9
89.54761	0.2
91.05484	5.8
97.02872	0.4
99.23280	0.2
100.07624	3.9
107.68749	0.2
112.07597	0.3
118.08662	11.7
119.04952	18.4
123.04456	2.0
124.07617	1.0
124.36865	0.3
127.03944	0.6
138.09094	0.3
142.08617	0.5
147.04417	100.0
148.04735	1.6
179.03433	0.4
246.11301	0.4
264.12335	11.6
274.13135	0.3
291.08701	0.5
308.69565	0.3
309.09744	1.3
426.17569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	21.5
55.16846	9.8
57.07073	15.6
67.05499	38.6
68.05830	10.3
68.96094	9.8
69.07075	57.4
70.07431	12.5
79.05480	29.7
81.07062	74.2
82.07397	16.7
83.08610	35.3
83.30794	9.2
91.05470	20.5
93.07045	44.0
94.07365	14.0
95.08613	100.0
96.08936	28.1
97.10191	17.0
98.21583	31.6
105.07013	34.3
106.07366	13.0
107.08604	75.6
108.08949	29.1
109.10162	73.4
110.10478	21.4
111.11738	17.2
119.08563	38.1
120.08891	25.2
121.10146	46.9
122.10508	22.2
123.11710	40.9
131.08600	14.2
133.10083	36.7
134.10448	22.9
135.11671	44.4
136.12054	23.3
137.13263	18.0
145.10101	13.2
147.11694	35.9
148.12009	17.7
149.13248	28.7
150.13582	26.6
159.11708	23.4
161.13223	27.0
162.13525	15.5
163.14783	12.5
164.15187	13.6
165.09079	18.6
170.77142	11.1
175.14839	12.6
180.67551	12.9
187.14743	14.4
191.17941	31.3
192.18307	18.0
201.16365	14.7
202.16714	26.1
203.17865	11.7
204.06868	10.4
214.16701	11.8
215.17799	12.2
216.18240	20.5
218.19942	17.1
230.57063	11.9
230.59201	15.7
259.67438	10.1
269.22845	13.1
270.22974	30.1
287.23682	11.0
288.24045	19.0
351.29147	10.6
365.79202	11.9
408.37225	50.8
426.18353	16.0
426.37991	83.8
427.15402	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03930	3.5
55.01884	2.4
55.05509	13.0
56.99635	2.1
57.07077	9.3
65.03937	2.6
67.05507	44.8
69.03431	5.7
69.07073	27.3
69.79481	11.9
71.05000	3.6
79.05497	22.9
81.07062	81.9
83.08624	14.7
91.05478	20.8
92.05797	2.7
93.07051	46.3
95.05016	3.0
95.08614	100.0
95.67151	2.3
97.02897	5.4
97.06535	6.7
97.10186	12.9
104.28998	2.0
105.07040	34.8
107.08604	63.5
108.08903	2.3
109.06516	2.6
109.10164	68.4
110.10447	2.6
111.08083	4.5
111.11743	3.7
117.07056	3.2
119.08582	45.9
121.10144	49.8
123.08151	3.0
123.11732	33.5
125.09660	6.9
131.08572	9.0
133.10150	29.7
135.11719	41.7
137.13284	17.0
145.10173	12.2
147.11707	35.8
149.13280	34.2
151.14868	4.3
157.10219	4.0
159.11722	16.4
161.13264	27.2
163.14828	23.9
167.10576	2.2
171.11713	2.9
173.13283	9.4
175.14873	12.9
177.16408	5.2
179.14355	5.6
185.13326	4.4
187.14867	9.2
189.16385	18.1
191.17958	39.9
201.16368	11.5
203.17972	23.7
205.15836	3.0
205.19591	10.0
207.17438	6.5
215.17970	7.0
217.19513	24.1
219.17511	3.5
219.21161	2.6
233.18944	3.5
243.21275	3.1
245.22749	3.2
257.22763	2.6
263.23727	3.8
271.24042	2.9
297.25833	4.3
407.36771	16.3
425.32428	3.9
425.37955	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	425.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	23.0
57.07083	19.5
67.05516	40.2
68.05839	5.0
68.85394	3.7
69.07075	46.5
69.66978	3.6
71.08615	9.0
71.27097	6.3
79.05502	21.7
79.54273	3.6
81.07068	78.2
83.04982	4.8
83.08630	19.1
85.06548	12.6
89.06052	6.2
91.05486	26.0
93.07047	62.0
95.04943	5.9
95.08617	100.0
96.01839	3.5
97.06503	4.4
97.10165	13.7
100.55662	4.2
105.07034	50.4
107.07879	4.1
107.08607	74.1
109.06503	3.8
109.10163	71.6
113.00018	13.6
117.07030	6.7
119.08591	48.8
121.10162	53.5
123.11735	31.8
131.08578	16.3
133.10149	37.5
135.11710	52.3
137.13274	26.6
139.11157	4.2
143.08574	9.7
145.10147	29.1
147.11713	37.1
149.13275	38.6
151.14856	3.4
157.10132	8.2
159.11740	25.2
161.13289	30.1
163.14793	20.1
169.02611	13.4
171.11708	9.3
173.13235	18.6
175.14854	20.9
177.16388	13.6
179.14348	14.4
185.13277	9.3
187.14796	31.6
189.16441	20.0
191.17978	15.1
201.16396	19.3
203.14256	4.9
203.18034	20.3
205.19553	6.7
207.17474	7.3
213.16397	10.1
215.17894	14.7
217.19504	12.8
227.17905	5.9
229.19505	12.1
255.21118	4.7
269.22742	6.3
285.25827	4.5
313.27576	8.3
351.61682	4.1
407.32114	5.7
407.37393	16.9
425.22000	5.6
425.33319	14.3
425.37692	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05517	19.0
57.07076	7.0
58.09114	1.7
67.05170	2.7
67.05508	37.9
69.03436	3.3
69.07075	25.5
70.06603	3.5
71.08641	1.9
71.55533	2.4
73.43801	1.7
79.05495	20.1
81.07064	57.7
82.07425	2.4
83.08631	15.7
83.55142	1.8
91.05487	19.5
93.07049	39.3
95.04957	5.2
95.08617	100.0
97.06535	4.8
97.10178	7.4
105.07041	33.3
107.04977	2.9
107.08604	61.7
108.08897	1.6
109.10164	69.5
110.93373	1.5
111.08079	3.1
111.11758	2.8
117.07074	4.1
119.08591	45.3
121.06525	2.3
121.10152	51.1
123.08083	3.8
123.11720	30.7
123.12569	2.2
125.09689	2.6
127.04002	1.6
129.07047	3.3
131.08582	9.0
133.10147	45.1
135.11708	38.8
136.12091	1.9
137.13258	15.8
143.08614	3.3
145.10115	13.1
146.10654	1.9
147.11702	26.5
149.13272	25.6
151.11183	1.8
151.14894	3.1
157.10165	5.4
159.11731	16.1
161.13293	30.0
163.11217	2.6
163.14827	23.7
165.09113	3.6
165.12782	2.8
171.11774	4.7
173.13297	9.9
175.14856	19.4
177.16393	16.3
179.14351	5.3
179.17868	1.8
183.11707	3.1
185.13248	2.2
187.14835	11.8
189.16420	24.4
191.17949	23.0
198.93433	1.7
199.14920	2.1
201.16374	10.1
203.17981	30.0
203.19754	2.6
205.19545	13.5
207.17404	11.7
213.16528	3.7
215.17949	13.0
217.19536	26.5
219.17506	3.3
219.21133	3.8
227.17982	2.3
229.19452	9.3
231.21091	6.4
232.07329	2.0
233.19107	4.1
243.21152	4.2
245.22731	6.0
247.20575	2.6
257.22748	8.0
269.22665	5.2
270.96973	1.8
271.24210	3.9
275.23892	3.1
283.24402	1.8
287.23801	4.0
297.25916	4.5
315.26959	2.6
353.32040	3.3
407.36783	21.7
425.25754	5.2
425.37906	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05512	10.7
57.07071	5.6
60.26881	1.4
65.03928	2.2
67.05177	2.0
67.05509	29.0
69.07073	19.2
70.13516	5.9
71.08606	1.4
79.05497	13.0
81.07063	59.9
83.08623	9.9
91.05479	10.1
91.50283	1.2
93.07048	28.6
94.72713	1.2
95.08610	100.0
97.10159	5.1
105.05532	1.5
105.06389	1.5
105.07043	19.6
107.08601	42.7
109.10162	68.4
111.08119	2.1
111.11711	3.1
117.06995	1.8
119.08580	20.7
121.10158	39.4
123.11716	26.5
125.09674	1.6
125.13276	1.4
131.08577	4.2
133.10138	19.4
135.11702	24.1
137.13249	23.7
145.10129	9.5
147.11682	18.2
149.13272	23.3
151.14865	3.7
157.10114	1.7
159.11676	8.2
161.13248	17.7
163.14835	15.0
171.11760	1.6
173.13260	5.2
175.14864	10.0
177.16386	20.4
179.14320	3.4
185.13231	1.3
187.14807	4.1
189.16365	10.3
191.17964	17.5
193.16014	2.3
199.14850	2.0
201.16364	2.9
203.17986	13.5
205.15959	1.7
205.19522	7.9
207.17558	6.1
213.16304	1.5
215.17957	4.5
217.19531	18.4
221.19017	2.0
227.18008	1.9
229.19527	5.1
231.21100	2.3
233.19051	4.7
235.20821	1.8
243.21114	1.7
245.22745	4.4
246.92363	1.4
247.20572	4.4
255.21046	2.0
257.22702	2.7
261.22388	1.7
271.24231	3.3
275.23654	7.0
287.23642	3.2
297.25568	1.9
299.27106	2.2
301.25333	3.1
407.36655	3.8
425.37933	38.6
426.38098	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03947	3.6
55.05515	14.5
57.07060	10.2
67.05496	30.3
67.32324	2.6
69.07069	24.8
69.35819	2.4
71.08646	3.1
71.20683	5.0
79.05489	15.3
81.07063	68.8
83.08636	15.9
91.05470	17.3
93.07051	33.5
95.04972	2.5
95.08611	100.0
97.10155	9.1
105.07040	25.7
107.07882	3.2
107.08601	60.6
109.10159	67.4
111.11742	3.7
111.75070	2.7
116.10705	2.7
117.07035	4.4
119.08587	35.0
121.10155	46.7
123.11708	37.0
131.08560	9.6
133.10147	31.8
135.11699	36.4
137.13246	30.3
137.31339	2.5
139.11172	5.5
145.10123	11.5
147.11699	26.9
149.13274	34.1
151.14865	3.1
157.10127	6.4
159.11679	15.5
161.13248	21.2
163.14833	16.7
165.12766	2.8
167.78574	2.2
171.11667	3.7
173.13251	10.7
175.14847	19.6
177.16399	22.9
179.17860	3.5
185.13268	3.2
187.14850	9.7
189.16386	14.5
191.17970	27.5
201.16412	12.8
203.17982	24.3
205.19559	19.2
215.17963	12.0
217.19516	23.3
219.17569	3.7
219.21155	2.9
229.19518	10.0
231.21112	6.2
233.18939	4.6
245.22601	4.4
247.20476	9.0
255.21092	4.0
257.22626	7.3
269.22598	4.8
271.24326	3.4
275.23639	3.5
287.23645	3.5
293.16278	2.6
333.40543	2.7
353.32126	4.3
407.36819	26.3
425.37860	64.1
426.38336	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03923	6.4
55.05510	33.7
57.07078	32.6
67.05510	26.9
69.06680	5.2
69.07071	100.0
69.35556	14.0
69.35982	22.4
71.08616	9.1
79.05492	14.2
81.07065	55.7
83.08617	58.4
89.71182	3.7
91.05479	15.9
91.26418	3.8
93.07050	39.6
95.08609	81.8
97.10175	15.5
98.21502	9.1
105.07013	28.2
107.08601	51.7
107.62589	4.1
109.10170	66.3
111.11710	9.7
119.08582	44.9
121.10146	41.1
123.11740	32.0
131.08559	10.4
133.10094	31.0
135.11693	47.7
137.13286	22.5
143.08534	10.0
145.10127	33.1
147.11687	31.6
149.13235	20.8
151.14792	4.7
155.08461	3.8
157.10158	13.3
159.11690	25.0
161.13278	35.3
163.14873	25.6
171.11726	13.5
173.13275	25.4
175.14853	14.2
177.16486	4.7
183.11665	5.4
183.67133	4.1
185.13278	13.3
187.14818	24.8
189.16379	16.6
191.17937	7.8
199.14821	16.3
201.16405	18.0
203.17952	12.3
213.16383	18.7
215.17921	36.7
217.19537	10.3
225.16319	6.5
227.17984	12.9
229.19470	14.5
239.17909	6.3
241.19386	8.4
243.21117	9.3
255.21188	14.3
257.22879	5.3
269.22665	62.6
271.24295	13.4
273.22095	6.9
285.22275	6.3
287.23706	63.3
297.25711	12.7
313.25299	13.2
315.26859	24.3
325.28809	6.3
407.36633	47.2
425.37830	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03944	2.8
55.05511	12.8
57.07072	6.4
60.79979	1.6
61.86898	1.5
65.03918	1.6
67.05507	25.9
69.06718	2.6
69.07068	24.5
70.86837	1.3
71.56880	1.4
79.05495	15.0
81.07059	59.3
82.66637	1.2
83.08624	10.0
91.05476	10.1
93.07050	34.0
95.08611	100.0
96.08945	1.7
97.06519	1.4
97.10166	6.2
105.07032	21.8
107.07864	2.9
107.08596	50.0
109.06513	1.9
109.10165	61.9
111.08092	2.3
111.11693	2.1
117.07056	3.1
118.98045	1.3
119.07794	2.4
119.08585	32.8
121.10154	43.3
121.16113	1.3
123.11713	35.5
131.08565	7.0
133.10129	26.2
133.82797	1.4
135.11703	32.3
137.13260	26.4
139.11195	3.3
139.20311	1.4
143.08572	1.6
145.10143	8.2
147.11688	21.8
149.13264	26.7
149.14380	2.3
151.11189	1.6
151.14857	3.3
157.10144	2.3
159.11708	15.2
161.13258	22.3
163.11124	1.5
163.14827	15.5
165.09064	1.5
165.12729	2.9
171.11691	3.2
173.13284	9.8
175.14824	17.1
177.16374	20.7
179.14354	1.6
179.18050	1.6
185.13277	2.6
187.14821	8.3
189.16408	14.3
191.14253	1.7
191.17938	22.5
199.14832	3.2
201.16399	11.7
203.17961	26.3
205.19545	16.6
207.17393	3.7
213.16402	4.1
215.17967	10.2
217.19522	21.9
219.17477	3.7
219.21094	3.4
221.19113	2.0
227.17929	1.9
229.19536	13.1
231.21153	5.3
233.19115	4.8
235.20566	3.0
241.19527	3.7
243.21262	3.9
245.22694	6.0
247.20692	5.8
255.21121	5.5
257.22736	7.5
259.20868	2.0
269.22638	4.4
271.24237	2.7
275.23691	4.5
283.24261	3.5
287.23688	3.3
293.74405	1.3
301.25455	2.3
313.28979	3.6
353.32117	4.9
355.11179	1.7
355.29935	2.2
367.33804	1.6
407.36722	21.2
425.37823	52.4
426.38260	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03942	1.4
55.05520	12.7
57.03431	1.5
57.07080	7.4
65.03943	2.2
67.05515	24.6
68.05028	1.4
69.03426	1.6
69.07076	24.3
69.92369	2.4
69.92797	5.7
70.06610	2.8
71.08624	2.4
72.99607	1.5
75.03345	1.4
79.05496	12.4
79.75860	1.4
81.07063	68.8
82.96733	1.2
83.04959	2.1
83.08620	11.6
91.05479	10.9
92.05819	1.4
93.07051	31.9
94.07374	1.3
95.04967	3.0
95.08614	100.0
96.08985	1.6
97.06487	1.6
97.10191	5.9
100.99606	1.2
105.07038	28.6
107.08600	53.2
109.06496	2.0
109.10167	61.5
111.08060	2.1
111.11710	3.6
117.07041	2.3
119.08591	33.4
121.10149	45.9
123.08080	1.6
123.11717	40.4
123.12582	2.6
125.09634	3.6
127.11230	1.3
131.07736	1.4
131.08540	9.0
133.10141	32.3
135.11703	35.2
137.13264	30.4
139.11229	3.8
141.41136	1.4
141.78160	1.3
143.08589	4.2
145.10127	13.9
147.11711	20.2
149.09692	1.4
149.13263	31.9
151.14839	3.8
154.08664	2.5
157.10162	3.8
159.11716	12.2
161.13268	22.4
163.14824	16.5
163.16052	1.3
165.09131	2.8
165.12767	2.3
169.10197	1.8
170.10670	1.4
171.11714	4.4
173.13297	11.5
175.14832	17.9
177.12869	1.8
177.16425	20.8
179.17885	2.1
185.13301	3.0
187.14851	10.7
189.16411	18.1
191.17970	19.9
199.14882	2.0
201.16443	12.0
203.18005	24.4
205.15979	1.9
205.19516	16.3
207.17415	2.1
213.16461	3.2
215.18005	11.5
217.19531	18.8
219.17509	4.5
219.21146	3.8
221.18944	3.3
227.18024	3.3
229.19531	12.3
231.21147	5.9
233.19073	5.5
241.19563	2.2
243.21181	5.6
245.22708	5.5
247.08960	1.5
247.20630	3.9
255.20963	2.7
257.22668	8.4
259.20471	2.0
269.22696	4.0
271.24329	3.3
273.22226	4.5
273.25485	1.4
275.23782	6.1
283.24234	3.2
287.23767	4.3
297.26025	2.1
301.25452	2.7
313.29001	2.7
332.22266	3.0
332.92596	1.4
333.22687	7.3
353.32114	4.0
355.29984	2.2
407.36774	19.7
409.16379	1.5
425.28638	5.9
425.37854	59.0
426.38336	1.8
430.95447	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.33791	2.0
54.38861	2.1
55.05516	12.6
57.07093	3.7
57.21928	2.0
58.70399	2.5
59.80556	2.2
67.05511	21.1
69.07070	24.3
70.61715	5.9
74.09763	1.9
79.05492	13.5
81.07064	39.6
83.08635	7.5
91.05487	8.3
93.07056	25.0
95.08611	72.0
97.10193	4.7
105.07044	13.9
107.08610	40.9
109.10165	53.2
111.08076	4.3
111.11725	5.9
117.07059	2.0
119.08584	28.5
121.10152	37.9
123.08073	2.0
123.11719	22.1
131.08578	5.4
133.10152	18.0
135.11714	24.2
137.13271	11.6
145.10161	9.4
147.11690	17.6
149.13280	13.2
159.11710	7.3
161.13292	13.5
163.14822	13.0
173.13310	8.3
175.14885	11.1
177.16428	10.6
179.14256	2.6
185.13246	3.5
187.14803	6.9
189.16454	12.8
191.17964	15.0
201.16420	5.2
203.18030	9.5
205.19633	8.3
207.17413	4.8
215.17972	10.7
217.19540	10.7
229.19521	5.8
231.21169	4.0
233.19162	3.0
241.19522	2.8
243.21223	4.9
245.22737	9.3
247.20630	10.6
255.21211	2.5
257.22662	5.1
259.24118	3.1
261.22226	3.4
271.24146	5.2
287.23724	3.4
310.19153	2.1
324.24585	2.3
407.36716	17.0
409.28717	2.2
425.37863	100.0
426.38260	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05521	10.3
57.07070	7.2
57.53208	1.4
67.05508	21.5
69.07064	21.4
70.91299	4.5
71.79821	1.7
72.98165	1.5
79.05490	12.3
81.07061	79.6
83.08612	12.6
84.76221	1.7
86.13366	1.5
91.05486	13.7
93.07042	21.6
95.08610	100.0
97.10153	5.3
105.07032	22.2
107.08595	26.8
109.10157	42.2
111.11733	3.8
112.75513	1.6
117.07010	4.0
119.08578	15.1
121.10152	19.1
123.11710	25.1
129.07054	3.7
131.08560	9.4
133.10123	18.9
135.11716	19.8
137.13254	47.2
143.08580	6.7
145.10118	14.3
147.11708	15.7
149.13280	13.7
151.14839	3.7
157.10130	5.0
159.11713	15.4
161.13277	10.2
161.43761	1.6
163.14847	7.2
171.11670	6.5
173.13271	4.7
175.14835	5.1
177.16373	6.6
179.17897	3.1
185.13258	8.5
187.14842	8.0
189.16350	9.4
191.18010	9.7
199.14865	4.6
201.16423	7.9
203.17943	6.4
204.66542	1.9
205.19551	4.7
213.16370	4.5
215.17989	7.5
217.19493	4.6
219.17462	4.3
227.17917	8.1
229.19548	5.8
231.17349	1.6
232.85472	1.6
236.28300	1.7
245.18991	4.6
245.22659	1.9
255.21056	4.9
257.22662	4.3
269.22614	3.7
271.24414	1.9
273.22156	1.7
275.23480	2.6
283.24207	4.0
407.36728	13.6
425.37775	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.93715	2.1
55.05517	34.3
57.07082	14.0
67.05173	2.6
67.05509	33.7
69.03416	3.7
69.06720	4.0
69.07072	51.4
70.73772	3.1
70.74113	3.9
71.04990	2.1
71.08620	3.5
79.05502	18.5
81.07066	76.9
83.08631	30.0
91.05479	19.3
93.07050	44.9
95.04967	2.6
95.08613	100.0
97.06525	7.5
97.10183	16.5
105.07031	40.2
107.08598	71.0
109.06492	2.1
109.10162	69.6
111.08091	3.8
111.11735	12.2
112.85173	2.0
117.07003	4.3
119.08593	42.1
121.10141	55.7
121.19696	2.0
123.08078	4.3
123.11719	42.1
123.87078	2.2
125.09642	4.8
127.11267	2.7
130.86777	2.0
131.08589	14.4
133.10138	40.1
133.11098	3.8
135.11705	57.2
137.13249	19.2
143.08563	6.4
145.10118	28.7
147.11708	36.3
149.13263	33.9
151.14912	3.8
157.10170	6.6
159.11729	25.7
160.12299	2.1
161.13260	26.1
163.14841	21.2
171.11702	7.7
172.45781	1.9
173.13258	18.1
175.14856	15.1
177.16461	10.7
179.14291	3.4
182.11041	2.3
185.13266	7.8
187.14786	17.9
189.16435	16.0
191.03435	2.3
191.17972	27.9
193.19389	2.7
199.14822	10.7
201.16385	25.3
203.17984	26.0
205.19569	11.8
207.17390	2.3
213.16414	9.7
215.17993	28.2
217.19513	17.2
219.17413	3.6
219.21085	5.1
227.17935	5.7
229.19545	8.1
233.18965	2.5
241.19585	6.0
243.21210	4.9
255.21094	4.7
257.22583	4.4
259.20667	2.5
269.22632	31.0
273.22043	3.9
283.24258	4.5
285.22253	2.9
285.25778	3.1
287.23718	36.0
297.25873	10.4
315.26968	10.2
407.36819	26.0
425.29025	3.3
425.37842	60.0
439.74219	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.90656	3.9
53.03932	4.2
55.05497	16.3
57.07081	7.1
65.03951	4.1
67.05511	35.5
69.07072	32.5
69.87588	8.7
69.87999	14.7
70.80181	3.9
71.08617	4.5
79.05500	24.3
81.07062	79.8
83.08614	16.1
91.05481	23.6
92.51276	3.8
93.07053	55.7
95.08611	89.7
97.06514	8.7
97.10170	9.7
98.21454	5.4
105.07027	55.1
107.08600	100.0
109.10163	84.6
111.08080	6.3
117.07029	9.0
119.08584	52.6
121.10157	71.4
123.08120	5.2
123.11728	38.6
131.08595	9.4
133.10156	36.9
135.11708	59.0
137.13263	13.7
143.08612	4.7
145.10143	18.2
147.11691	40.1
149.13257	40.5
151.14818	6.2
157.10159	5.7
159.11671	20.3
161.13264	37.5
163.14839	20.1
173.13272	12.4
175.14819	13.9
177.16396	11.4
179.14317	10.2
185.13220	6.1
187.14865	11.7
189.16432	25.0
191.18004	31.4
201.16399	16.1
203.14310	18.7
203.17960	36.4
205.19508	16.7
207.17487	13.5
208.83870	4.0
215.17929	10.1
217.19534	42.8
219.21140	8.2
229.19528	6.8
243.21124	5.6
245.22736	7.0
255.20973	5.2
311.27301	3.7
312.32190	3.7
407.36765	28.8
412.70840	4.1
425.32950	8.5
425.38330	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03941	3.2
55.05518	17.6
57.07065	10.2
67.05508	40.3
69.06725	3.3
69.07072	51.7
70.73788	5.8
71.04993	2.4
71.08632	3.5
79.05502	23.5
81.06586	4.9
81.07062	92.4
82.32641	2.3
83.08614	12.7
85.06541	3.6
89.06033	3.5
91.05501	14.7
93.07054	46.1
95.04994	3.2
95.08613	100.0
97.06529	4.3
97.10164	9.6
99.08148	3.8
105.07026	33.7
107.08598	53.8
109.10157	72.7
111.08089	4.7
111.11734	20.5
114.49030	2.3
117.07008	4.4
119.08586	34.2
121.10149	49.0
123.11703	30.9
124.08372	2.3
125.09626	3.1
127.11186	2.7
131.08562	9.3
133.10150	30.9
135.11697	37.9
137.09645	5.5
137.13284	18.4
145.10121	17.1
147.11694	26.2
149.13286	33.6
151.11194	4.5
157.10075	5.0
159.11684	15.0
161.13283	24.5
163.14818	18.3
171.11734	4.1
173.13254	16.5
175.14862	18.5
177.12750	2.5
177.16414	16.8
185.13232	5.1
187.14821	10.2
189.16373	12.8
191.17958	12.3
195.17422	7.9
199.14842	4.7
201.16347	7.2
203.17976	12.4
205.19554	4.8
213.16431	3.1
215.17955	9.9
217.19533	13.9
227.17955	3.5
229.19505	6.3
231.21089	6.6
233.19159	2.8
243.21095	3.2
255.20967	2.8
257.22705	4.0
259.24127	6.3
269.22540	4.1
271.24219	3.1
407.36832	23.7
425.37946	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05511	16.0
57.07067	4.8
65.03936	2.1
67.05171	2.4
67.05508	30.5
69.06728	1.9
69.07073	29.4
69.23958	13.7
70.06580	1.8
71.08633	2.7
79.05486	15.4
81.07062	58.6
82.07393	1.7
83.08618	13.8
85.06543	2.1
91.05486	16.7
92.05795	1.4
93.06474	2.4
93.07047	40.2
95.04939	2.4
95.08612	100.0
97.06525	1.9
97.10165	9.2
105.07039	31.5
107.07864	3.2
107.08599	64.6
109.06524	2.4
109.10165	77.4
111.08101	1.5
111.11726	4.4
117.07032	3.6
119.08591	45.4
121.09319	3.0
121.10150	54.6
123.08103	1.9
123.11713	31.7
125.13265	1.5
129.07076	1.6
131.08580	9.5
133.09122	1.8
133.10136	41.5
135.11697	49.5
137.13266	11.9
143.08592	2.1
145.10124	20.3
147.11702	33.0
149.13261	26.5
151.11221	2.9
151.14842	1.7
157.10158	3.1
159.11699	18.6
161.13269	34.3
163.14821	28.4
163.16092	2.2
165.12769	2.4
166.49414	1.5
171.11719	3.0
172.12485	1.8
173.13297	14.8
175.14832	28.4
177.16383	21.7
179.14313	7.3
179.17860	2.2
181.67053	1.6
185.13289	3.9
187.14822	12.1
189.14749	3.0
189.16394	34.6
191.17998	17.7
193.15959	3.8
199.14760	2.3
201.16397	16.7
203.17970	28.0
205.15721	2.5
205.19545	16.0
207.17438	21.1
213.16396	3.1
215.17957	17.8
217.19527	23.0
219.17418	1.8
219.21153	3.8
227.18022	4.1
229.19582	9.7
231.21127	7.6
233.18993	3.3
241.19432	2.1
243.21144	9.6
245.22675	10.3
255.21045	6.1
257.22678	9.8
259.24356	3.4
261.22064	2.4
269.22659	5.3
271.24185	6.8
283.16937	2.3
283.24301	2.6
284.17358	4.7
285.25781	2.6
287.23715	2.8
297.25745	9.6
311.26868	1.9
315.26907	6.7
337.29111	4.2
365.32013	5.3
407.32043	1.1
407.36685	40.6
425.37772	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05521	20.9
57.07089	7.6
67.05515	33.4
69.07073	46.8
69.25143	4.3
70.81009	5.4
70.81345	7.6
79.05489	15.9
81.07059	68.2
83.08601	21.8
91.05480	12.5
93.07044	48.0
93.34809	4.2
95.08614	92.5
97.06530	4.4
97.10164	8.6
105.07021	36.9
107.08599	66.3
109.10159	76.9
119.08590	53.5
121.10143	50.3
123.08064	5.3
123.11723	45.3
125.13243	4.6
131.07727	4.6
131.08565	24.1
133.10152	38.9
135.11726	40.4
137.13272	21.5
145.10095	26.6
147.11679	37.3
149.13266	21.3
157.10033	4.2
158.06970	4.2
159.11705	34.9
161.13295	43.6
163.14792	20.5
165.12755	5.5
171.11661	5.4
173.13295	34.4
175.14867	29.5
177.16380	12.8
179.14278	21.3
185.13379	5.5
187.14822	28.7
189.16365	19.7
191.14357	15.6
191.17950	15.2
199.14845	4.6
201.16420	23.6
203.17984	19.9
205.15892	6.3
213.16405	6.2
215.17894	26.8
217.19528	17.7
227.18063	6.2
229.19475	43.9
231.21048	5.5
233.18973	8.3
243.20982	3.9
247.20599	11.6
255.21245	4.7
269.22672	6.6
271.24210	6.9
285.25888	5.2
325.29001	6.8
351.30414	5.0
407.31696	5.4
407.36786	78.8
425.26624	5.8
425.37811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.02370	3.6
53.03956	5.7
55.05511	21.6
56.20894	3.3
57.07084	16.1
62.52993	3.1
67.05510	45.9
69.07072	54.2
71.08628	5.1
73.52274	2.8
76.47649	2.9
79.05493	26.7
81.07063	81.5
83.08624	24.2
91.05508	25.0
93.07051	60.2
95.08619	100.0
97.10169	9.5
98.21539	6.3
99.16709	3.2
105.07043	47.2
107.08607	80.7
109.09454	6.3
109.10164	80.4
111.08088	7.3
111.11730	6.6
117.07044	7.6
119.08588	61.1
121.10146	74.1
123.08080	3.6
123.11716	38.1
131.08574	13.2
133.10139	47.9
135.11716	42.5
137.13254	17.4
143.08569	7.6
144.09444	3.4
145.10133	19.0
147.11697	46.4
149.13274	26.1
151.11211	7.2
157.10146	9.7
159.11723	26.3
161.13271	40.5
163.14873	19.3
166.67227	3.4
171.11749	4.2
173.13304	25.6
175.14825	20.6
177.16373	11.2
185.13277	8.8
187.14838	18.4
189.16415	13.6
191.17984	25.5
199.14822	4.8
201.16443	11.8
203.14836	2.9
203.17964	50.9
205.15842	4.1
205.19408	16.1
213.16437	5.5
215.17973	10.1
217.19536	45.6
221.19095	5.2
227.17989	6.1
229.19531	9.5
231.21130	10.9
233.19308	3.7
241.19569	4.4
245.22754	5.9
247.20520	5.2
259.24225	3.7
407.36880	36.1
425.37991	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.18507	2.8
55.05513	19.6
57.07079	9.2
57.69596	3.0
65.13091	3.0
67.05503	25.8
69.07071	27.1
69.32863	24.2
70.62810	2.6
75.19159	2.6
78.58793	2.7
79.05494	17.9
81.07063	59.1
83.08618	13.6
83.09052	2.9
91.05479	17.5
93.07046	46.5
95.08613	100.0
97.10191	8.4
105.07034	36.8
107.08600	87.5
109.10161	63.1
111.08028	3.1
111.11687	4.4
117.07021	4.0
119.08591	46.9
121.10154	62.5
123.08079	3.9
123.11706	28.2
131.08603	7.9
133.10133	38.3
135.11722	33.6
137.13255	13.6
145.10141	12.7
147.11693	31.7
149.13263	42.2
159.11731	9.1
161.13252	35.7
163.14850	31.0
173.13286	9.6
175.14845	19.7
177.16397	22.5
179.14351	9.1
185.13319	3.7
187.14854	14.0
189.16374	24.2
191.17966	52.0
201.16412	10.9
203.17976	35.7
205.19684	16.0
215.18007	13.3
217.19521	41.6
221.19055	6.6
227.17957	3.7
229.19556	10.9
231.21161	7.7
233.18982	8.6
235.20627	13.1
243.20972	4.8
245.22723	6.6
247.20406	6.1
247.24332	3.3
257.22580	3.7
275.23758	3.1
283.24179	3.7
326.60162	3.5
407.36752	17.4
425.37845	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05521	21.7
57.07061	8.0
67.05507	35.0
69.07079	32.4
70.69797	8.5
71.04947	3.2
71.08637	3.6
77.54346	2.9
79.05508	22.3
81.07059	73.2
83.08617	18.5
85.03920	2.9
85.06513	3.7
91.05488	19.0
93.06479	3.7
93.07050	51.8
95.08614	100.0
97.06514	5.9
97.10189	5.2
105.07037	42.4
105.16574	2.8
107.08602	90.5
109.09465	5.0
109.10170	81.6
111.08099	3.3
115.55151	2.8
119.01028	2.6
119.07792	4.8
119.08590	62.9
121.09322	4.5
121.10155	72.8
123.08036	3.3
123.11706	41.6
125.09619	4.9
127.11232	2.9
131.08557	10.6
133.10132	43.0
135.11708	61.0
137.09689	3.1
137.13261	18.1
139.11256	2.9
145.10146	18.5
147.11693	50.1
149.13268	45.9
151.14870	4.1
159.11707	28.5
161.13272	44.1
163.14824	31.2
165.12759	4.8
171.11662	3.0
173.13324	16.3
175.14890	19.5
177.16406	9.9
179.14259	11.1
185.13261	4.8
187.14780	8.8
189.16379	31.2
191.17963	39.8
199.14929	4.6
201.16435	20.9
203.17949	50.4
205.19495	19.2
207.17453	9.6
215.17905	17.1
217.19518	43.3
219.21024	8.0
221.19023	4.1
227.18073	5.3
229.19502	4.5
231.21111	7.4
243.21082	3.9
245.22636	4.4
249.65363	2.7
257.22839	4.1
269.22711	4.9
271.24219	5.2
283.24200	3.4
285.25528	5.2
297.25772	5.9
407.36731	25.2
425.37845	88.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03937	1.3
55.05510	14.5
57.07080	5.9
62.28001	1.1
65.03949	1.6
67.05505	27.0
69.06724	2.0
69.07074	30.3
69.07450	1.5
69.30303	3.8
69.30734	5.6
70.51460	1.1
71.08635	1.5
77.03935	1.5
79.05497	16.7
80.81441	1.1
81.07061	51.2
83.04962	1.4
83.08636	16.4
85.06552	1.8
91.05476	16.5
93.07050	39.1
93.72206	1.2
95.04952	1.8
95.08611	100.0
96.08956	1.7
97.06552	2.5
97.10158	7.7
105.04532	1.1
105.07030	33.4
107.08600	72.1
109.06536	2.7
109.10162	78.4
111.08080	2.8
111.11710	5.5
113.09621	1.7
117.07014	2.8
119.08582	50.6
121.10150	56.6
121.32966	1.0
123.08105	3.0
123.11707	34.3
125.09642	2.2
126.30456	1.0
129.06972	1.5
131.08556	7.9
131.33342	1.0
133.10141	40.4
135.11691	48.2
137.13261	11.1
143.08536	2.4
145.10123	16.1
146.10741	1.5
147.11694	31.7
149.13264	24.8
151.11185	3.1
151.14874	2.6
157.10176	3.4
158.10860	1.6
159.11714	19.5
161.13264	38.6
163.14822	29.5
171.11696	2.8
173.13240	14.9
174.14137	1.1
175.14841	23.5
177.16393	27.0
177.17841	2.1
179.14334	9.0
179.17926	2.6
185.13281	3.8
187.14851	14.6
189.16382	33.3
191.17937	18.2
193.15974	1.7
199.14778	3.0
201.16379	13.9
201.26724	1.0
203.17978	25.4
205.15930	1.5
205.19551	14.6
207.17455	19.5
213.16452	3.7
215.17957	14.0
216.18275	1.6
217.19521	22.1
219.17450	2.1
219.21133	4.6
221.19025	1.7
227.17957	4.1
229.19539	13.4
231.21063	7.6
233.18987	3.7
241.19511	2.4
243.21092	10.2
245.22636	10.8
247.20596	2.7
255.21165	5.1
257.22629	9.1
259.24197	2.5
261.22183	1.4
269.22739	6.1
271.24243	7.3
275.23502	1.7
283.24155	3.0
285.25778	3.3
287.23648	2.6
297.25723	6.1
311.27341	1.3
315.26895	4.0
329.28674	1.5
337.29022	2.5
339.30389	1.3
365.32196	2.9
394.05933	1.1
407.32489	0.7
407.36728	42.2
425.37781	66.9
426.38098	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.25392	1.7
51.33621	1.7
52.46502	1.9
54.10021	1.4
55.05517	10.6
57.07065	6.7
67.05514	25.3
69.06768	1.9
69.07076	20.2
71.08641	2.1
71.31148	2.5
79.05508	11.0
81.07061	61.2
83.08623	15.2
91.05466	11.2
93.07049	30.8
95.04977	3.0
95.08614	100.0
97.06559	2.1
97.10183	8.8
99.08129	1.9
105.07041	24.0
106.59151	1.7
107.08604	52.3
109.10166	65.1
111.07996	2.1
111.11733	4.8
116.60890	1.9
117.07012	2.0
119.08590	35.7
121.10149	44.0
123.11716	35.4
125.09568	2.5
131.08617	8.5
133.10150	27.7
135.11713	32.5
137.09615	2.7
137.13260	33.7
139.11177	2.9
143.08539	3.1
145.10110	11.8
147.11685	18.8
149.13283	31.4
151.14867	3.7
159.11743	12.7
161.13258	23.4
163.14847	17.6
165.09209	2.2
171.11737	2.3
173.13347	10.4
175.14807	13.8
177.16415	26.1
179.17934	2.7
185.13228	2.4
187.14870	11.1
189.16403	18.2
191.17969	20.5
199.14861	2.2
201.16400	12.9
203.17993	24.9
205.19545	22.0
207.17473	2.7
213.16403	3.6
215.17952	14.1
217.19504	24.6
219.21124	4.0
221.18898	3.6
227.17992	3.0
229.19501	13.9
231.21176	3.6
233.18979	5.1
241.19531	4.0
243.21086	4.4
245.22714	4.5
247.20569	5.3
255.21066	2.2
257.22659	6.8
269.22644	3.5
271.24350	2.6
275.23755	7.8
283.24329	3.3
287.23700	3.1
301.25208	3.6
313.28830	2.1
353.32159	5.2
407.36835	21.2
425.37833	59.4
426.38120	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	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03943	1.6
55.05294	1.6
55.05512	14.9
55.71931	1.3
57.03458	1.5
57.07082	9.7
59.85934	1.2
67.05509	25.9
69.07069	23.5
69.41336	2.6
69.41745	8.2
79.05493	13.9
81.07061	57.9
82.07367	1.6
83.04979	1.5
83.08607	12.0
91.05499	10.0
93.07053	32.3
95.04984	1.8
95.08612	100.0
97.10186	6.8
98.21040	5.6
98.21618	1.7
102.72626	1.4
105.06394	2.2
105.07039	26.9
107.07872	2.6
107.08601	54.6
109.10165	62.6
111.08084	1.9
111.11697	1.6
113.09635	1.4
117.07025	4.4
119.07801	2.8
119.08591	35.9
121.10150	47.7
123.08135	2.3
123.11718	43.0
125.09620	2.8
131.08560	8.8
133.10138	26.8
135.11705	35.2
137.13260	24.8
139.11180	2.7
145.10120	9.0
147.11694	22.2
149.13264	31.8
149.14233	0.8
151.14824	3.7
157.10197	3.9
159.11699	11.8
161.13264	22.0
163.14859	15.8
165.12695	2.1
171.11647	2.9
173.13246	12.7
175.14830	17.9
177.16391	24.1
179.14258	2.2
179.18001	2.8
185.13194	2.6
187.14844	11.3
189.16415	15.2
191.17944	21.0
193.15919	1.5
199.14804	2.2
201.16391	11.8
203.17957	26.9
205.16029	2.1
205.19547	15.1
207.17363	1.9
213.16328	2.5
215.17958	14.5
217.19545	21.1
219.17458	5.0
219.21103	3.1
221.18990	3.2
227.17960	4.4
229.19534	15.0
231.21115	7.1
233.18945	3.5
241.19447	3.0
243.21063	4.6
245.19275	1.5
245.22638	5.7
247.20558	5.8
255.21088	3.4
257.22668	8.3
259.20575	2.1
269.22684	4.0
271.24286	4.4
273.22079	2.2
275.23700	6.0
283.24173	2.5
287.23715	5.3
301.25308	2.5
313.28934	5.2
353.31964	4.9
355.46768	1.3
407.36761	20.4
425.37759	57.1
426.37827	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03937	3.5
53.19218	2.7
55.05511	12.8
57.07066	6.6
59.71516	3.0
65.03917	3.4
67.05510	25.2
69.07070	23.5
71.08615	3.2
72.64538	2.8
79.05477	10.2
81.07058	67.1
83.08633	17.5
91.05482	10.9
93.07039	31.0
95.08611	100.0
97.10144	6.2
105.07026	24.3
107.08595	47.7
109.10161	63.4
111.11739	4.1
119.08594	30.2
121.10131	41.3
123.11710	35.5
125.09617	3.7
131.08572	6.1
133.10162	30.3
135.11694	34.5
137.13252	30.0
139.11203	3.4
145.10121	13.4
147.11679	18.3
149.13280	30.2
155.73854	3.0
157.10078	4.6
159.11757	15.7
161.13295	26.5
163.14848	19.2
165.12730	4.0
173.13292	10.5
175.14825	17.5
177.16429	25.7
179.17860	4.4
187.14813	11.4
189.16441	16.6
191.18004	24.0
201.16367	13.3
203.17949	32.5
205.19551	18.5
207.17334	4.9
215.17957	12.6
217.19490	22.8
227.17952	5.1
229.19514	16.6
233.18948	3.5
243.21085	6.0
247.20444	5.6
255.21024	4.6
257.22662	7.1
258.79272	3.0
269.22723	3.9
275.23779	3.4
287.23627	6.6
301.25183	2.9
313.28738	4.7
353.31921	5.0
363.71555	3.3
391.37595	3.0
407.36703	23.9
425.37750	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03934	6.2
55.05518	17.4
57.07061	13.7
60.66974	3.0
61.55688	2.9
62.86480	3.1
67.05508	27.3
69.06795	2.9
69.07076	39.4
70.95668	7.2
79.05494	18.5
81.07066	64.1
83.08627	17.6
89.06043	4.7
91.05470	14.2
93.07046	43.2
95.08057	6.5
95.08614	83.7
96.43123	3.1
97.10152	13.0
105.07042	24.9
107.08600	58.5
109.09468	4.4
109.10165	63.9
111.11711	6.5
113.00034	7.9
117.07021	4.0
119.08590	39.4
121.10139	48.7
123.11715	28.4
131.08569	15.2
133.10133	31.7
135.11702	35.6
136.94470	3.0
137.09592	10.9
137.13277	22.1
143.08575	6.3
145.10153	18.1
147.11691	23.7
149.09636	4.8
149.13272	21.1
151.14865	5.2
159.11742	18.0
161.13242	26.5
163.14833	17.3
165.09132	100.0
165.12778	4.6
169.02600	9.5
173.13275	18.1
175.11166	4.0
175.14841	19.7
177.16396	11.9
179.14302	12.8
179.17883	3.8
187.14812	14.1
189.16385	18.5
191.14282	7.7
191.18011	16.4
193.30186	3.0
197.13290	3.5
199.14900	4.3
201.16373	10.4
203.10783	4.0
203.18033	20.5
205.12267	6.1
205.19577	7.4
207.17474	7.8
207.99802	3.7
213.16328	6.8
215.17958	10.1
217.19479	17.6
229.19514	28.8
231.21039	5.2
233.18906	5.2
247.20564	12.7
257.22668	4.4
271.24078	3.1
285.25766	4.8
313.27374	4.3
350.91080	3.6
407.36832	38.6
425.32880	5.2
425.38333	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03933	3.6
55.05510	20.3
57.07067	11.6
61.53608	3.2
67.05503	41.7
69.07073	43.9
70.81553	5.5
71.08652	3.7
73.11150	2.9
79.05490	26.8
81.06595	4.8
81.07062	70.2
83.08623	18.7
85.06544	7.3
91.05482	21.2
93.07048	54.4
95.08609	93.2
97.06524	2.9
97.10146	5.7
105.07038	60.7
107.08601	82.3
109.10165	100.0
111.08096	9.1
111.11690	4.7
117.07027	4.7
119.08587	67.1
121.10156	77.8
123.08046	4.4
123.11708	34.4
128.00391	2.7
131.08560	10.2
133.10129	57.6
135.11713	61.7
137.13251	11.7
143.08577	6.5
145.10120	16.6
147.11682	60.9
149.13271	31.6
151.11194	4.9
151.14844	5.2
157.10104	5.2
159.11682	20.7
161.13260	42.6
163.14838	21.3
171.11731	3.6
173.13287	12.9
175.14876	15.6
177.16428	10.4
179.14299	14.0
187.14835	17.7
189.16408	23.6
191.14212	3.4
191.17978	40.6
197.84837	3.5
201.16391	12.7
203.17972	85.2
205.19417	18.5
207.17499	9.5
213.16367	4.2
214.99944	2.7
215.18077	14.5
217.19505	79.7
218.19852	4.3
221.19003	5.1
231.21242	3.3
233.18938	3.3
241.19511	3.9
243.21107	6.1
245.22758	6.4
271.24246	5.8
285.25839	3.6
297.26154	3.2
407.36703	26.3
425.37823	96.3
433.58923	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	425.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01875	5.5
55.05518	20.7
57.03440	2.9
57.07082	7.3
58.82892	1.4
65.03950	3.2
67.05511	82.3
69.03439	10.6
69.07071	25.4
69.54957	1.6
70.61639	5.3
71.01360	1.4
71.04996	5.5
71.08623	4.6
79.05058	2.6
79.05494	29.1
81.03426	16.3
81.07064	100.0
83.04974	3.2
83.08628	15.3
85.02908	4.4
85.06543	4.0
85.10223	2.5
91.05491	23.2
93.07054	35.9
95.04974	2.1
95.08612	71.9
96.08971	1.9
97.02899	46.1
97.06526	4.3
97.10175	9.9
99.04464	14.8
99.08105	3.3
105.07037	23.9
107.08604	34.6
109.02885	7.2
109.06538	2.3
109.10168	40.7
110.10432	2.0
111.04398	2.1
111.08070	3.7
111.11744	3.0
113.09639	2.6
117.07023	5.0
119.07779	2.9
119.08572	21.8
120.08898	1.7
121.10149	30.5
123.08098	3.4
123.11714	21.7
125.09679	3.4
127.03922	22.3
129.05545	1.7
129.07047	3.7
131.08565	9.1
133.10132	17.9
135.11705	15.5
137.09627	3.1
137.13261	7.4
139.11211	2.7
143.08578	3.9
145.04984	2.2
145.06480	2.2
145.10179	7.3
147.08064	2.9
147.11690	16.2
149.09618	2.7
149.13257	13.0
151.07446	1.7
151.14807	4.6
157.10126	4.5
159.11647	8.5
161.13263	14.5
163.14856	12.0
165.09137	4.1
165.12709	2.5
171.11687	2.6
173.13319	7.1
175.11232	1.6
175.14809	8.8
177.12769	1.8
177.16408	5.1
183.11894	1.6
185.13298	4.5
187.14825	6.9
189.12790	2.0
189.16394	8.4
191.14360	3.0
191.17938	9.2
195.13708	2.1
199.14853	3.9
199.28581	1.6
201.16449	4.2
203.14352	3.4
203.17911	3.5
207.17464	1.8
211.15041	1.7
215.17958	2.6
217.19533	2.5
229.19426	3.3
241.19434	1.7
243.17419	1.7
243.21028	2.4
245.22734	8.5
255.21135	1.8
257.22507	1.7
261.22119	4.7
263.23734	36.6
269.22687	1.7
271.24231	4.2
297.25873	1.9
313.25146	2.0
331.26389	8.0
341.24905	2.6
359.25690	6.2
407.27902	2.1
407.36649	5.6
425.32849	2.0
425.38495	16.0
449.21387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.1
55.01854	10.4
55.05508	19.4
57.03424	5.1
57.07053	4.1
59.42266	2.8
61.02920	4.2
67.05508	35.6
68.99781	7.4
69.03432	30.4
69.07071	46.8
70.06583	11.7
71.04987	5.9
71.06899	2.8
71.47559	3.3
72.08147	7.3
73.02909	7.2
74.23030	2.7
79.05494	33.6
81.03413	20.8
81.06589	3.5
81.07059	70.7
83.04971	10.0
83.08603	7.9
84.04471	2.9
84.08095	4.3
85.02910	32.6
85.06528	7.2
86.09709	8.2
87.00832	20.4
87.04439	2.5
91.05475	32.9
93.07043	44.3
94.73760	2.5
95.04961	15.4
95.08610	100.0
97.02893	19.8
97.06522	13.4
97.10156	7.2
99.04453	5.8
99.08084	7.6
103.03972	3.6
103.05450	4.2
103.60233	2.3
105.01848	6.9
105.07034	50.8
107.04953	10.3
107.08601	54.3
109.02862	8.8
109.06512	7.1
109.10165	32.1
111.04451	6.5
111.08094	7.8
111.11729	8.2
113.09643	5.2
115.03935	7.5
117.01833	4.2
117.07024	18.8
119.04934	4.2
119.08585	63.7
120.08109	8.6
121.06507	11.5
121.10144	48.9
123.04410	4.6
123.08064	9.5
123.11719	30.1
125.06013	4.2
125.09613	4.1
127.03940	12.6
128.06232	4.5
129.05458	3.1
129.06985	11.9
131.04930	4.5
131.08577	30.3
133.06473	4.6
133.10126	45.3
135.04413	3.2
135.08073	12.4
135.11710	24.1
136.07591	2.9
137.05978	3.7
137.09605	5.6
137.13266	6.0
139.03902	3.4
139.11224	4.1
141.06984	5.2
142.07791	6.0
143.08575	17.9
145.02907	3.4
145.04982	5.4
145.06461	3.3
145.10121	27.6
147.02881	3.8
147.08043	9.5
147.11700	26.2
149.09637	5.7
149.13232	8.8
151.07535	5.9
153.05511	4.7
155.08472	6.7
156.09282	4.5
157.10146	15.0
159.02901	8.0
159.08034	5.0
159.11717	28.2
161.09584	9.0
161.13261	27.4
163.03896	4.4
163.07584	5.9
163.11127	8.7
163.14842	34.0
165.06981	3.0
165.09123	8.2
167.08519	3.2
169.10110	9.8
171.11731	13.0
173.09621	4.4
173.13255	19.4
175.07538	5.0
175.11227	3.7
175.14825	62.1
177.05441	6.7
177.09171	3.7
177.12723	4.6
177.16379	23.3
179.08598	4.4
181.10109	6.5
183.11674	8.8
185.09589	3.1
185.13287	7.3
187.11176	7.3
187.14804	19.9
189.03960	5.3
189.12785	5.6
189.16380	14.4
191.03481	3.4
191.17856	6.2
197.13280	6.7
199.11205	3.5
199.14792	11.5
201.12746	5.3
201.16379	20.3
203.18001	3.3
205.12195	3.5
205.15895	7.8
207.11853	4.1
207.17406	3.2
209.13254	4.7
211.11201	4.7
211.14813	5.8
213.16417	7.7
215.10750	2.8
215.14362	3.7
217.15938	7.5
217.19498	3.1
218.78275	3.0
219.17377	12.0
225.12825	6.6
225.16388	3.0
227.14336	4.3
229.15846	5.1
231.17447	7.5
239.17900	3.8
241.15971	4.6
243.17421	5.8
249.16414	5.1
250.14734	3.1
261.18433	2.7
267.17410	9.5
273.18555	4.2
285.18591	17.7
303.19482	14.7
321.20737	3.0
371.18546	3.5
389.19455	11.2
395.86108	2.8
407.20599	21.3
425.20544	5.0
425.26080	23.1
425.37967	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	425.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22254	0.6
71.54845	1.1
74.65161	0.6
77.00887	0.8
77.74344	0.6
81.03439	0.7
82.99873	1.8
94.99812	0.7
97.02886	1.6
101.00879	17.0
105.44134	0.6
109.02877	0.9
113.00881	3.7
113.01540	0.6
113.12506	0.6
115.02415	0.9
119.01927	22.9
127.02414	2.5
129.00349	0.8
131.01903	9.7
133.03459	1.1
137.02905	1.7
138.05537	0.7
139.02415	1.3
141.07875	0.6
143.01903	36.0
145.03473	9.1
147.01373	1.1
155.01898	13.7
157.03482	6.4
161.02963	46.2
162.03105	1.4
167.01938	9.5
169.03445	3.0
171.01370	0.7
171.05061	2.3
173.02956	17.6
175.04546	2.8
175.61057	0.6
179.01888	3.7
181.03464	0.8
184.04597	0.7
185.02966	35.6
186.03125	0.6
186.10202	0.7
187.04547	4.0
188.12686	0.7
189.45140	0.6
191.04022	5.5
196.04637	0.8
197.02962	14.0
199.04527	0.9
203.04021	15.0
209.03014	1.0
215.03984	8.3
221.04999	1.4
227.03990	8.8
233.05180	1.4
239.04118	1.2
245.05084	100.0
246.05327	2.6
253.56773	0.6
257.05038	5.2
263.06140	26.3
275.06125	11.6
293.07187	4.3
305.07184	9.0
317.06964	0.7
320.20346	0.6
335.08054	2.6
365.09366	5.3
425.11255	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	424.2847
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
53.03942	2.4
54.04540	1.4
55.05501	5.4
60.68164	1.4
65.03948	1.2
67.05514	11.0
67.85414	1.4
68.05027	14.0
69.03416	1.9
69.07066	5.5
70.06200	1.7
70.06590	33.4
70.87168	2.8
72.08135	1.3
77.03900	1.3
79.05494	15.3
80.05014	3.8
81.07063	19.2
82.06577	3.5
83.05006	1.7
86.09768	1.6
91.05480	21.4
93.05810	1.9
93.07050	20.6
94.06561	2.4
95.04965	39.2
95.08617	10.1
96.08128	6.6
97.06496	2.0
98.06074	1.6
100.07617	26.6
103.05493	2.9
105.07030	38.6
107.08595	14.7
108.08118	8.5
108.08812	1.9
109.10146	9.1
110.09733	1.8
110.10492	1.7
114.05524	11.5
114.09105	1.5
115.05470	3.0
116.07078	3.1
117.07021	12.0
119.08575	42.3
120.08120	7.9
120.08847	1.6
121.10129	18.0
122.09680	4.2
122.10479	1.4
123.08094	1.7
123.11713	2.4
128.06213	7.1
128.07089	31.1
129.06996	12.7
130.07782	9.0
131.08562	26.4
132.08084	1.5
133.10118	12.3
134.09644	5.0
135.11696	3.1
140.07027	2.6
141.07008	3.8
142.07758	4.5
142.08719	8.5
143.08560	28.9
144.09325	4.3
145.10120	62.8
146.09579	2.2
146.10657	1.9
147.11687	2.8
148.11191	20.4
154.07370	2.4
154.08630	44.4
155.08540	5.2
156.09317	9.4
157.10146	14.3
158.10992	2.4
159.11713	5.8
160.11139	2.3
161.09622	2.0
162.12759	2.9
164.07083	6.3
167.08420	2.1
168.10196	5.5
169.10132	8.6
171.11696	16.5
172.11179	2.5
173.13254	18.1
174.12727	2.0
175.14877	2.4
178.08688	5.9
180.10217	2.8
183.11742	3.6
185.13258	2.4
186.12729	2.9
187.14845	3.9
192.10284	8.1
194.11784	69.0
195.11870	2.8
199.14882	5.0
201.16394	1.6
209.13271	4.1
216.10390	1.9
218.11836	5.7
219.12599	2.1
220.13272	4.6
223.14856	1.4
238.15685	1.6
240.17493	4.8
270.14923	4.3
284.16461	4.7
285.17206	2.3
286.18005	26.1
314.21121	58.6
315.21396	2.5
332.22345	5.3
339.34982	1.4
352.00485	1.4
406.27405	76.6
407.27753	2.8
424.28491	100.0
424.36899	5.2
425.28754	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	424.2848
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
50.39548	1.1
53.03938	1.9
55.05505	5.2
56.05037	1.3
57.03429	1.1
57.07072	1.5
65.03945	1.7
67.05498	10.6
68.05036	14.2
69.03454	1.3
69.07063	5.4
70.06594	34.7
71.05001	1.4
71.55255	2.0
71.82267	1.1
79.05495	14.6
80.05006	2.4
80.06274	1.5
81.07063	23.7
82.06573	4.7
83.04967	1.6
83.08594	2.9
84.08107	1.5
91.05491	23.8
93.07050	22.5
94.06546	3.0
95.04974	38.6
95.08611	8.8
96.08154	6.9
96.08894	1.3
97.06499	1.6
98.06010	1.4
100.07619	25.4
103.05463	2.8
105.07038	39.4
107.07405	1.4
107.08594	13.7
108.08137	8.7
109.06519	2.1
109.10159	9.6
114.05532	13.5
115.05430	3.1
116.07081	2.5
117.07027	16.7
119.08586	42.8
120.08138	7.6
121.10138	17.4
122.09660	3.7
123.11682	1.6
126.09154	1.8
128.06224	6.1
128.07080	35.6
129.07014	11.6
130.07820	10.4
131.08574	23.7
133.10149	12.7
134.09648	5.3
135.11707	5.6
137.09747	1.4
140.07111	3.3
141.06973	2.4
142.07750	5.2
142.08739	7.5
143.08562	26.8
144.09341	4.8
145.10130	62.9
145.11295	3.0
146.09639	2.7
147.11711	2.6
148.11214	19.3
149.12051	2.9
149.13225	1.5
152.07118	1.9
154.08638	42.3
155.08592	3.4
156.09373	11.2
157.10121	12.0
158.09711	1.8
158.10974	2.6
159.11697	7.4
160.11169	3.3
161.09641	3.2
162.12697	2.9
163.03880	1.7
164.07054	6.7
166.08708	1.4
166.12248	1.9
168.10185	5.7
169.10121	8.3
170.10995	1.6
171.11705	15.3
172.11191	2.7
173.11942	2.2
173.13277	13.4
174.12753	2.1
175.14847	1.7
178.08658	4.3
178.23265	1.4
180.10245	3.5
181.10136	2.2
184.11166	2.0
185.13339	2.7
186.12811	3.4
187.14818	2.2
192.10225	11.3
194.11795	72.3
195.11824	3.9
197.13326	1.8
198.12653	1.4
199.14813	5.2
201.16418	2.1
207.11758	1.4
209.13213	4.0
216.10217	2.8
218.11797	5.5
219.12537	2.0
220.13309	2.9
224.14233	1.9
232.13318	1.8
240.17352	3.0
248.16451	1.4
258.14868	2.4
267.06235	1.2
270.14859	4.5
284.16449	7.8
285.17386	3.2
286.18021	20.1
302.84918	1.4
314.21149	56.3
332.22299	5.8
406.27420	75.3
407.27783	3.3
424.28458	100.0
425.28656	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	424.2846
Annotation	Antibiotic BE 14106
Peak:m/z	Relative Intensity
54.01762	0.9
55.05507	4.1
57.07075	3.4
65.03936	1.3
67.05497	8.5
68.05034	12.4
69.03400	1.1
69.07061	4.5
70.06596	23.7
71.07259	1.3
71.07634	1.1
79.05492	11.6
80.05020	6.3
81.07064	12.7
82.06562	5.3
83.08607	2.4
87.44260	1.0
89.61436	1.0
91.05489	16.3
92.03530	1.0
93.07046	15.0
95.04976	7.9
95.08610	7.2
96.08146	5.8
97.06539	1.6
98.06045	1.0
100.07621	17.1
105.07035	35.8
107.08590	13.1
108.08114	6.4
108.08801	1.1
109.06506	1.1
109.10163	3.8
114.05544	8.9
115.05428	1.6
116.07107	3.0
117.07019	8.3
119.08584	27.8
119.42682	1.1
120.08073	3.5
120.08855	1.1
121.10168	8.1
122.09687	2.6
123.08057	1.1
126.09161	2.1
128.06224	3.1
128.07080	21.7
129.07016	7.4
130.07780	3.9
131.08574	18.3
133.10132	15.6
134.09653	1.7
135.08069	4.5
135.11708	2.9
140.07028	1.0
141.06975	2.1
142.07735	4.3
142.08664	9.0
143.08578	12.5
144.09354	2.8
145.10132	24.4
146.09647	1.9
147.11681	3.9
148.11206	5.5
149.09596	1.8
149.13365	1.0
154.08650	37.5
155.08577	4.2
156.09341	4.0
157.10139	14.2
158.10912	1.6
159.11679	8.4
160.11180	2.4
161.09663	1.8
161.13255	1.4
162.12787	1.9
164.07072	3.8
167.08588	2.1
168.10298	8.0
169.10107	8.6
171.11720	7.8
172.11238	2.3
173.13255	12.2
174.12814	4.0
175.14876	3.0
178.08705	4.7
179.08533	1.7
180.10294	2.2
181.10146	2.5
183.11717	3.6
184.12517	1.7
185.13284	2.4
186.12784	2.4
187.14877	1.9
191.14284	1.1
192.10252	3.5
193.10245	1.5
194.11821	21.0
195.11751	3.3
197.13293	2.5
198.12769	1.2
199.14783	5.3
201.16364	3.1
203.14342	1.3
206.11801	1.3
207.11754	1.6
209.13277	4.2
211.14780	1.8
216.10316	2.4
217.15913	3.2
218.11771	5.1
219.12453	1.7
220.13397	6.3
223.14893	2.0
230.11784	1.4
232.13402	2.6
235.14861	1.8
258.14868	2.0
265.19464	1.8
270.14816	2.1
276.15891	1.5
284.16559	2.1
286.18002	4.3
302.17554	4.2
309.22168	1.8
314.21152	12.0
332.22211	100.0
333.22491	1.8
379.35135	1.1
406.27493	13.8
424.28488	91.3
425.28833	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	424.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
53.83919	2.7
55.01876	2.6
55.02167	2.4
55.05517	32.2
56.51060	2.4
57.03440	6.4
57.94392	2.4
58.06607	3.1
60.04513	2.6
67.05508	8.4
69.03426	11.8
69.07085	23.0
69.44579	21.6
70.06594	16.2
71.04993	7.5
72.08160	13.4
74.06107	3.3
77.70117	2.5
77.72445	2.1
79.05510	5.8
80.22573	2.1
81.03439	3.3
81.07046	8.1
83.04986	11.6
84.04518	7.7
84.08149	19.3
85.02906	9.7
85.06557	3.0
86.09695	7.0
91.05490	7.2
93.07068	7.1
94.06550	4.2
95.04956	2.8
95.08603	4.9
97.02898	4.9
97.06544	29.9
98.06088	4.2
98.21467	4.1
100.02207	7.4
102.05560	6.5
105.07049	4.7
107.08600	13.5
109.02895	3.6
109.06505	3.2
109.10159	10.6
110.07184	5.0
112.02184	7.6
116.07082	3.8
119.04937	6.5
119.08615	3.1
120.08132	12.4
121.06531	2.8
121.10158	14.4
122.06026	6.0
123.08100	6.2
123.11774	2.7
124.07575	3.5
125.09666	4.3
126.05515	2.6
127.03939	6.3
127.11169	16.3
129.10213	5.6
130.03247	8.3
131.08582	4.7
133.10164	7.5
135.11690	8.8
136.07603	17.2
136.08540	3.1
140.07071	3.0
144.01193	6.4
145.04932	3.5
146.02736	13.8
147.04416	16.0
149.13336	2.8
151.11122	3.1
153.09081	3.5
158.06003	3.0
163.03906	5.8
163.14874	8.6
164.07083	9.7
166.08678	4.8
173.13301	9.9
175.14812	5.2
176.07123	4.2
177.05405	3.3
188.00002	2.7
191.14331	37.6
209.15384	100.0
226.08783	3.8
227.16443	5.4
243.08011	8.3
243.11380	6.2
249.15955	3.6
257.12842	4.1
262.10782	7.5
285.12360	10.9
303.13608	12.9
361.14960	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	423.362
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
51.20957	0.9
53.03952	1.0
55.05518	5.7
57.07067	3.1
67.05506	12.1
69.07074	22.6
69.31652	7.9
71.08621	1.4
79.05494	4.4
81.07059	16.4
83.08617	6.1
91.05498	3.5
93.07053	8.8
95.08607	27.2
97.10176	2.1
98.20728	2.4
104.41106	0.9
105.07040	6.5
107.08609	12.4
109.10162	31.5
111.08057	1.6
111.11732	1.4
117.06996	1.1
119.08585	9.1
121.10172	9.2
123.11716	7.7
126.92046	1.0
129.07002	1.4
131.08568	3.7
133.10139	7.2
135.11725	4.3
137.13251	3.1
142.07779	2.0
143.08586	5.4
145.10143	10.3
147.11676	5.1
149.13301	2.4
151.14847	1.3
155.08540	3.6
156.09322	3.1
157.10130	8.2
159.11711	10.5
161.13249	4.2
163.14828	1.7
165.16422	1.7
169.10143	5.6
170.10892	1.6
171.11697	12.1
173.13264	7.4
175.14845	2.0
177.16408	2.4
183.11736	6.9
185.13339	7.8
186.02592	1.1
187.14882	5.8
189.16406	1.3
195.11707	2.5
196.12546	1.5
197.13220	5.8
199.14806	5.6
201.16434	2.3
209.13171	2.5
210.13963	1.6
211.14822	3.2
213.16444	3.2
215.17888	2.6
224.15649	1.2
225.16399	4.7
227.17943	4.6
229.19426	1.4
235.20813	1.1
239.17950	8.6
241.19453	3.6
243.17534	1.4
245.19016	1.2
253.19547	6.4
255.21074	2.0
257.19077	5.9
259.20508	1.8
267.21140	3.4
269.22552	1.7
271.20587	6.6
281.22876	1.5
283.24023	1.2
285.22073	3.5
295.24228	1.9
299.23602	2.0
311.27414	1.3
323.27393	1.7
339.26886	2.2
405.35217	12.8
423.36218	100.0
424.36517	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	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
54.13029	1.5
55.05270	1.4
55.05513	19.1
57.03421	2.8
57.07054	6.6
59.05001	2.6
65.03947	3.0
67.05509	54.5
69.03416	4.2
69.07071	28.2
69.53770	3.3
69.54184	7.2
71.05003	2.2
71.08640	3.5
72.08138	1.4
73.48444	1.2
75.46799	1.2
79.05500	30.8
81.03408	4.3
81.07062	85.8
83.04978	2.8
83.08626	15.8
84.08134	2.0
85.06538	3.7
91.05486	27.2
93.07045	51.1
95.04962	5.5
95.08611	85.1
97.02862	2.3
97.06531	5.1
97.10161	6.3
99.08096	2.6
105.07034	42.7
107.08602	63.7
109.06518	4.8
109.10161	77.3
111.08066	6.0
111.11710	3.8
115.05394	1.9
117.07002	11.4
119.07798	3.0
119.08595	46.2
121.06534	2.4
121.10144	45.2
123.08057	7.6
123.11711	20.1
125.09650	2.5
128.06201	2.0
129.06982	5.8
130.07791	2.0
130.32860	1.5
131.08595	18.7
133.10133	35.4
135.08127	1.4
135.11694	28.0
135.14713	1.5
137.09668	2.3
137.13240	14.3
141.07059	1.4
142.07753	2.0
143.04675	1.6
143.08559	11.4
144.09274	1.9
145.10118	27.7
147.11699	25.9
149.09572	2.5
149.13254	29.4
151.14809	5.1
155.08516	2.3
156.09349	1.8
157.10118	13.5
159.11697	30.3
161.13268	19.6
163.11130	1.9
163.14838	12.9
165.12885	1.8
169.10141	4.2
171.11696	13.2
173.11749	5.6
173.13277	16.5
175.11148	3.0
175.14807	16.5
177.12708	1.9
177.16348	11.6
179.14380	8.8
183.11699	6.0
185.13312	9.3
187.14828	15.4
189.16383	23.4
191.17955	11.8
193.15865	2.1
195.11559	2.1
195.13751	1.5
197.13263	3.6
198.14069	1.6
199.14893	7.4
201.16415	17.1
203.14499	1.5
203.17949	15.2
205.15900	4.7
205.19492	3.6
207.17366	2.1
211.14850	4.4
213.16385	8.7
213.18362	3.0
215.17969	17.3
217.15924	4.2
217.19576	6.3
219.17422	4.1
225.16481	2.7
227.17969	3.1
229.19533	4.9
231.17465	5.7
231.21109	2.0
233.19092	3.5
239.17902	2.2
241.19484	3.3
243.21092	7.6
245.19011	2.4
253.19424	2.8
255.21049	5.9
257.22610	4.7
259.20642	1.7
261.22324	2.5
263.62396	1.8
267.21133	5.1
269.22635	3.0
271.20682	2.1
271.24136	1.7
273.22040	4.0
275.23706	2.8
283.24124	2.7
285.22119	4.5
287.23724	2.5
297.25772	3.1
299.23813	3.4
303.23456	1.6
309.25583	2.4
313.25153	3.4
327.26831	1.8
331.26376	2.9
339.26718	2.8
341.24567	2.0
362.99023	1.7
363.30478	2.7
367.30002	2.3
381.31467	2.4
387.25198	2.3
405.26297	2.8
405.35248	19.2
423.26382	10.5
423.31464	8.1
423.36243	100.0
424.36572	4.3
442.17316	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.05517	21.0
57.03440	3.9
57.07074	5.8
65.03937	2.3
66.69337	2.1
67.05182	2.1
67.05510	32.0
69.03412	2.8
69.07069	28.8
70.06581	5.6
70.76407	7.1
71.04967	2.6
72.08195	2.2
79.05500	22.3
81.03424	2.6
81.07062	71.1
83.04962	5.3
83.08620	13.0
85.06496	2.1
86.09706	17.3
91.05470	25.6
93.07045	52.4
95.04958	5.8
95.08608	97.4
97.02917	3.1
97.06544	8.3
97.10181	9.1
103.05455	6.7
105.07034	58.2
107.04962	3.7
107.08595	78.0
109.06537	6.7
109.10160	62.0
111.08094	4.1
117.07061	12.3
118.06557	4.3
119.08582	62.2
120.08117	17.8
121.10144	55.4
123.08102	2.7
123.11705	30.1
125.09644	5.4
127.03963	3.4
129.07024	2.9
131.08578	21.6
133.10139	47.3
134.38002	2.3
135.08102	3.7
135.11690	36.5
136.07620	3.4
137.09665	2.8
137.13255	18.8
139.11281	2.3
143.08568	7.8
144.09332	5.4
145.10135	38.1
146.06044	6.3
147.04546	2.6
147.11693	34.4
149.13240	29.9
151.14754	3.0
153.05513	5.3
155.08594	3.1
157.10196	15.2
159.11691	48.5
160.12206	2.8
161.13252	25.2
163.11180	2.4
163.14771	11.3
165.09137	3.8
169.10086	6.3
171.11722	11.4
173.13271	29.2
174.09109	3.2
175.14822	23.7
177.16429	10.5
183.11705	5.2
185.13260	10.8
187.14828	18.7
187.60115	2.6
189.16380	21.8
191.14355	5.0
191.17966	42.8
193.15904	3.9
197.13326	5.7
199.14912	10.2
201.16368	21.2
203.17944	21.0
205.15906	6.0
205.19580	9.9
207.17567	3.2
211.14864	3.0
213.16423	9.5
215.17973	28.2
217.15819	2.8
217.19533	10.4
219.17473	14.1
227.17899	11.0
229.19540	8.7
231.21063	4.4
233.19034	33.8
243.21048	4.8
245.18941	4.9
255.21144	4.9
257.22668	4.1
267.21228	4.5
269.22620	6.3
271.24338	3.2
273.22061	3.9
281.22675	2.8
283.24371	5.6
285.22147	3.2
287.23840	3.2
405.35165	19.6
423.24747	3.7
423.36279	100.0
424.36505	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	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.05509	19.3
57.07083	8.4
65.03937	2.1
65.53235	1.6
67.05167	2.6
67.05505	35.6
68.66925	1.6
69.03449	2.3
69.07073	25.5
70.06589	4.2
70.28201	2.9
70.28594	3.0
71.04971	1.6
71.08624	1.6
72.08149	7.2
79.05490	25.8
81.03403	3.7
81.07059	68.1
82.07378	1.6
83.04990	3.4
83.08615	13.4
84.04506	2.3
84.08143	2.1
85.02877	2.3
85.06549	3.1
86.09698	4.3
91.05480	25.0
93.07047	52.9
94.07393	2.7
95.04976	7.2
95.08611	100.0
96.08954	3.1
97.02884	2.9
97.06519	6.2
97.10168	8.0
98.09724	1.4
105.07031	52.2
106.07401	1.7
107.08598	69.9
108.08904	2.4
109.06519	5.6
109.10159	64.4
111.08065	7.0
111.11758	2.1
115.05472	2.6
117.07005	10.2
119.04960	1.8
119.08584	72.5
120.08095	3.3
120.08910	3.2
121.06501	3.2
121.10143	57.0
122.10497	1.5
123.08067	4.7
123.11720	26.8
125.09659	7.4
127.03860	1.4
129.06967	3.9
130.07803	1.7
131.08580	18.9
132.08972	1.6
133.06468	2.0
133.10132	43.1
135.08054	2.4
135.11703	43.5
137.09644	3.3
137.13268	19.1
139.11200	3.8
142.07793	2.4
143.08533	9.4
144.09305	5.2
145.10129	38.8
147.08020	2.5
147.11690	35.9
147.12798	2.8
149.09612	3.9
149.13260	26.0
150.13565	1.9
151.14815	3.3
153.05435	3.1
156.09334	3.0
157.10110	12.5
158.10771	2.8
159.11697	41.7
160.12166	1.3
161.09569	2.8
161.13263	24.1
163.07483	1.4
163.11220	2.8
163.14821	10.9
165.12750	2.3
165.16441	1.6
169.10185	4.1
171.11681	9.9
172.12262	2.3
173.13263	23.9
175.11298	2.5
175.14844	25.7
177.12759	4.3
177.16412	7.8
183.11748	3.7
185.13284	11.1
186.13980	1.8
187.14833	13.2
189.12813	2.2
189.16383	22.8
191.14334	4.8
191.17955	53.3
193.10281	1.6
193.15901	4.9
197.13261	5.0
199.14737	7.3
201.16391	20.5
203.17946	20.0
204.18300	2.2
205.08517	1.6
205.15868	4.1
205.19507	11.0
207.17453	2.7
210.14340	1.7
211.14822	4.0
213.16454	7.3
215.17970	29.0
217.15950	4.4
217.19514	10.0
219.17458	16.0
222.79587	1.5
225.16415	3.3
227.17966	5.4
229.19527	6.4
231.17494	2.8
231.20993	2.8
233.19012	29.6
239.18079	2.1
241.19458	3.8
243.17331	3.4
243.21153	3.0
245.18985	3.9
245.22502	2.2
247.20517	1.7
255.21098	5.7
257.18842	1.4
257.22690	3.2
259.13986	1.5
267.21069	1.7
269.22815	3.8
271.20709	2.8
271.24271	1.8
273.22235	4.5
283.24139	1.9
285.22125	4.3
297.25851	2.6
299.23636	2.9
387.25385	2.6
405.35126	14.5
423.25183	4.8
423.36151	92.4
424.36411	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77907	1.8
53.03938	4.0
55.01884	3.0
55.05509	21.4
56.45055	1.8
57.03439	4.0
57.07076	8.3
59.04989	3.0
61.89913	1.8
65.03922	3.2
65.11060	1.8
65.51192	2.0
67.05508	100.0
69.03431	2.5
69.07074	28.9
69.74861	10.6
70.06602	3.0
70.52557	1.7
71.04995	4.3
79.05502	32.0
81.03427	4.3
81.07063	83.6
83.04972	5.8
83.08297	1.5
83.08625	16.6
91.05481	24.4
93.07052	53.3
95.04990	4.4
95.08614	81.1
97.06532	8.5
97.10167	6.1
99.08087	3.6
105.07029	32.9
107.08596	44.4
109.06511	3.9
109.10165	81.3
111.08092	5.7
117.07029	9.4
119.08587	41.6
119.56845	1.9
121.06550	3.3
121.10149	43.5
123.08079	4.7
123.11736	19.1
125.09627	4.0
126.93174	1.9
129.07042	3.1
130.07755	2.6
131.08572	23.6
133.10138	34.8
135.08084	2.9
135.11703	21.1
137.09563	4.4
137.13249	24.3
137.17896	2.1
139.11212	12.4
143.08568	8.4
145.10120	22.2
147.11702	22.7
149.13274	30.9
151.11159	2.2
155.08588	3.0
155.10681	3.1
157.10135	10.0
159.11693	30.1
161.13246	18.6
163.11269	2.6
163.14812	6.4
169.10114	2.8
171.11700	8.6
173.11739	13.9
173.13293	15.4
175.14839	19.7
177.12801	4.2
177.16383	13.7
179.14328	4.9
181.96065	1.9
183.11714	3.4
185.13266	8.3
187.14841	11.1
189.16362	16.1
191.18025	12.6
193.05081	3.9
194.05382	2.4
195.11894	2.5
195.13835	6.5
197.13266	4.3
199.14853	8.2
201.16478	10.8
203.17909	14.2
205.15881	6.5
205.19518	2.9
211.14717	2.5
213.16402	6.5
215.17931	31.0
217.15817	3.0
217.19548	5.1
219.17427	6.2
225.16426	2.4
227.17998	7.0
229.19641	4.4
231.21049	2.3
233.19061	2.9
239.17859	3.2
241.19589	3.3
243.21220	5.1
245.19034	3.6
253.19576	2.7
255.21103	5.6
257.22708	2.3
267.20901	4.4
269.22662	3.2
271.24078	2.4
273.22321	3.2
285.22125	5.3
299.23694	3.3
405.35086	12.5
423.27396	28.7
423.36273	51.4
424.36710	4.0
437.28610	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02781	1.8
53.03940	3.4
55.05514	13.8
57.07074	10.2
59.04969	3.1
65.03938	2.3
67.05506	31.1
69.07071	30.1
70.06586	3.1
71.00063	2.5
71.00394	4.1
77.03832	1.8
79.05487	18.6
81.07059	59.6
83.04977	3.8
83.08631	18.4
85.06525	3.8
91.05460	17.8
91.32778	1.7
93.07041	41.5
95.04957	3.5
95.08610	100.0
97.02861	2.5
97.06537	2.8
97.10169	10.0
105.07030	46.6
107.08599	59.6
109.06512	3.6
109.10157	54.7
109.63981	1.8
111.08097	7.7
116.07037	1.9
117.07036	7.1
119.08581	50.9
119.79819	1.7
121.06523	2.6
121.10149	46.8
123.08050	2.3
123.11706	26.4
125.09629	5.9
126.29504	1.8
131.08568	16.3
133.10133	48.3
135.08104	2.5
135.11693	46.2
137.13261	24.9
139.11157	4.2
142.07799	2.9
143.08562	7.1
144.09317	3.8
145.10121	31.4
147.11678	31.7
149.09660	3.0
149.13252	21.1
151.11201	3.7
151.14842	4.3
153.05457	3.0
156.09430	2.2
157.10135	11.3
159.11713	35.9
161.13261	21.2
163.11154	5.3
163.14847	9.6
169.21895	2.0
170.10889	3.0
171.11705	6.6
173.13257	16.5
175.14813	18.7
177.12801	3.7
177.16321	12.7
179.19714	2.3
183.11769	4.2
185.13266	5.4
187.14839	11.1
189.16362	27.5
191.14383	2.9
191.17950	73.2
193.15855	3.2
197.13260	4.7
199.14835	5.4
201.16364	20.8
203.17943	23.4
205.15915	3.1
205.19539	8.3
207.17409	2.3
211.14891	2.5
213.16403	7.3
215.17929	22.9
217.16022	3.2
217.19537	13.2
219.17447	21.8
225.16519	3.6
227.17903	3.8
229.19530	3.0
231.21149	3.2
233.19112	10.8
241.19617	3.1
243.21130	3.2
245.19048	7.4
251.17990	2.3
253.19464	4.3
255.21158	5.6
267.21103	3.0
269.22687	3.7
271.20593	2.5
273.22235	5.0
285.22122	5.1
299.23578	3.9
323.27353	3.0
405.35162	16.3
423.25394	3.0
423.36243	91.5
424.36536	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	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23203	1.8
53.03955	4.3
55.01869	2.3
55.05516	20.2
57.03438	2.9
57.07069	8.0
57.49381	2.0
59.05006	3.2
59.56086	1.8
65.03926	2.6
67.05505	32.7
69.03430	8.0
69.07070	26.2
70.06588	8.3
70.90675	5.0
71.04991	5.0
71.08631	2.1
72.08160	9.4
72.41029	1.7
79.05498	23.1
81.03418	5.2
81.07060	64.5
82.07378	2.6
83.04996	8.0
83.08628	16.5
84.04489	2.4
84.08148	3.4
85.02902	7.3
85.06554	4.6
91.05484	27.6
93.07051	49.9
95.04988	7.0
95.08615	100.0
97.02892	7.1
97.06535	5.9
97.10191	10.0
99.08086	4.6
103.35777	2.0
105.07041	45.0
106.07382	2.7
107.04967	4.7
107.08599	66.3
108.08260	1.9
109.02840	2.1
109.06507	4.5
109.10164	59.0
111.04431	2.4
111.08088	8.9
111.11713	2.6
115.05478	2.7
117.07050	9.8
119.08590	52.1
120.08932	4.0
121.06515	4.3
121.10150	56.4
123.08094	3.8
123.11722	20.7
124.05157	2.0
125.09669	6.6
127.03947	4.3
129.07039	4.7
130.05011	2.0
131.08572	19.1
132.29739	2.0
133.06509	2.5
133.10146	51.0
135.08054	5.3
135.11707	44.9
137.09628	6.0
137.13249	16.4
139.03911	2.4
139.11153	3.6
141.07008	2.2
142.07834	2.7
143.08521	10.3
144.09369	3.5
145.10138	31.5
146.10718	2.3
147.04462	2.9
147.08089	2.3
147.11690	29.2
149.06003	2.0
149.09648	3.5
149.13272	24.9
149.14360	2.6
151.11217	4.4
151.14864	2.9
153.05511	5.6
154.03239	3.3
155.08559	2.9
156.09337	1.9
157.10143	13.1
159.08067	4.6
159.11699	39.4
160.08820	2.1
161.09561	4.3
161.13268	23.4
163.11166	6.1
163.14806	9.7
164.07175	2.2
165.09152	2.6
169.10214	3.4
171.11684	10.0
172.12505	1.9
173.04410	1.9
173.09546	2.1
173.13248	20.4
175.11246	2.4
175.14821	22.5
177.12770	4.3
177.16380	12.3
181.10138	2.5
182.05243	2.0
183.11726	5.6
185.13283	8.1
187.14859	12.7
189.16411	22.2
191.17947	68.0
193.15871	2.6
197.13350	6.8
199.14819	6.8
201.16382	21.0
203.17989	23.4
205.15805	3.9
205.19556	7.7
209.13313	3.7
213.05630	2.7
213.16434	4.9
215.17963	24.3
217.16016	4.3
217.19542	7.6
219.17455	23.8
220.45511	1.9
225.16316	3.1
227.17964	6.0
229.19553	3.5
231.17561	2.4
233.19017	14.4
239.17998	2.3
241.19540	3.5
243.17389	2.7
243.21078	2.9
245.19096	3.6
253.19524	2.7
255.21097	5.3
267.20810	4.2
269.22729	3.7
272.06424	1.9
273.22256	2.8
285.22064	3.7
323.27606	3.3
377.21597	3.9
405.27454	2.4
405.35046	14.7
423.22183	5.7
423.36261	84.6
424.36847	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	423.3622
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03942	2.6
55.05510	13.5
57.07063	4.5
66.63076	1.4
67.05180	2.1
67.05509	35.4
67.72319	1.5
69.07074	19.5
72.08152	1.5
73.01946	1.3
79.05491	21.1
81.07062	64.3
83.08617	12.1
84.97691	1.6
86.88823	1.4
91.05489	17.9
93.07047	39.8
95.04968	1.8
95.08611	79.2
95.21928	1.3
97.06504	1.9
97.10154	5.3
105.07035	39.1
107.08596	47.8
109.10159	44.1
111.08052	2.1
111.11744	3.1
114.65097	1.3
117.06998	7.0
119.08588	43.1
121.10143	35.8
123.11729	19.7
129.07008	4.2
131.08568	19.2
133.10138	27.7
135.11697	26.2
136.12090	1.5
137.13242	15.6
143.08562	7.7
145.10139	25.6
147.11693	27.4
149.13261	21.4
151.14847	1.5
157.10136	8.1
158.10826	1.5
159.11703	29.0
161.13277	22.0
163.14839	13.6
165.12794	5.4
165.16389	1.9
169.10144	2.8
171.11661	9.3
173.13254	17.2
175.14857	20.2
177.12785	3.4
177.16359	8.3
179.14290	3.5
183.11691	3.2
185.13318	9.1
187.14833	17.9
189.16411	15.2
191.14288	2.6
191.17929	16.6
193.15839	3.1
197.13304	2.8
199.14799	7.0
201.16431	14.2
203.14333	4.6
203.17963	10.3
205.15878	2.7
205.19606	3.5
207.17496	1.8
211.14873	2.9
213.16444	6.7
215.17967	13.3
217.15907	4.3
217.19542	8.3
219.17468	3.0
225.16434	3.0
227.17967	6.1
229.19504	12.1
231.17448	5.1
231.21098	6.5
233.19016	6.2
241.19514	2.7
243.17329	2.2
243.21086	6.5
245.22688	8.8
247.20461	2.0
253.19600	2.3
255.21074	2.4
255.24910	1.6
257.22714	3.2
259.20609	1.8
261.22211	1.7
267.21112	3.4
269.22528	7.2
271.20544	1.6
271.24228	2.2
273.22195	3.7
281.22540	1.9
283.24185	2.4
285.22186	3.5
297.25626	1.8
299.23816	1.9
313.25439	2.5
327.26852	3.3
353.28421	2.5
367.29956	1.9
405.35068	15.7
423.27188	6.0
423.36227	100.0
424.36517	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	423.3623
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
50.98042	1.3
53.03965	2.0
55.05513	20.8
55.25135	1.1
57.07079	7.8
65.03954	1.4
67.05167	2.1
67.05507	30.3
69.03411	2.4
69.06718	2.2
69.07070	26.6
70.84840	3.4
71.08634	2.2
79.05496	16.3
81.03410	1.7
81.07059	64.2
83.04991	3.6
83.08624	15.4
84.04533	1.2
85.06551	2.1
91.05485	19.8
93.07045	42.5
95.04974	2.0
95.08611	100.0
96.08947	1.7
97.06511	3.2
97.10172	7.4
99.08080	2.0
103.05474	1.8
105.07033	41.6
107.08599	58.9
109.06523	3.0
109.10162	59.3
111.07442	1.1
111.08077	7.0
111.11719	2.1
111.16097	1.1
115.05476	1.9
117.07011	5.6
119.08586	57.7
121.06461	2.3
121.10151	60.7
123.08070	3.5
123.11709	30.7
125.09617	6.4
129.07047	2.2
131.08554	14.5
133.10136	48.9
135.08139	1.6
135.11700	50.5
137.09616	3.5
137.13257	22.4
139.11198	3.7
142.07776	1.6
143.08549	6.5
144.09343	2.6
145.10123	30.7
146.10808	1.9
147.11702	33.2
149.09688	2.5
149.13266	25.0
151.11221	2.4
151.14828	2.8
155.08522	2.7
156.09357	1.9
157.10146	11.0
159.11693	40.7
159.13036	2.0
161.09645	1.4
161.13263	23.5
163.11221	6.9
163.14830	10.8
165.12779	1.5
165.16418	1.5
169.10144	3.4
171.11740	7.9
173.13281	17.3
174.13936	1.4
175.14835	18.2
177.12758	3.5
177.16393	11.4
179.14381	2.5
179.17950	1.7
183.11649	3.4
185.13319	6.6
187.14783	13.7
189.12770	1.7
189.16385	23.5
191.14316	2.7
191.17958	73.9
192.18350	1.4
197.13295	3.6
199.14824	7.3
200.15536	1.3
201.16408	26.8
203.17972	29.8
205.15883	4.2
205.19553	12.2
207.17468	2.7
211.14775	2.1
212.15556	1.4
213.16463	5.9
215.17987	22.7
217.15871	3.0
217.19537	9.9
219.17441	23.0
219.21008	1.3
225.16479	2.8
227.18008	4.3
229.19579	4.8
231.17447	4.3
231.21132	2.8
231.41316	1.2
233.19038	11.8
239.17978	2.5
241.19566	4.2
243.21147	3.7
245.19055	4.2
245.22643	2.2
255.21103	4.5
257.22720	2.7
259.20648	2.4
269.22604	3.5
271.20575	4.0
271.24265	2.2
273.22186	5.5
281.22644	1.9
285.22101	5.5
299.23642	3.3
301.25046	1.4
309.25641	1.4
323.27286	2.7
335.27307	2.2
353.28558	1.6
367.30212	1.5
405.35123	17.6
423.36224	98.0
424.36682	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	423.3623
Annotation	Glochidone
Peak:m/z	Relative Intensity
52.48674	1.3
53.03950	3.1
55.05511	14.6
56.03934	1.4
57.07083	8.8
57.52183	1.3
59.04992	2.4
65.03944	2.1
67.05510	23.9
69.07069	24.9
70.06596	3.0
70.80854	3.6
71.08652	1.6
72.08167	2.7
77.03949	2.1
79.05495	14.1
81.03432	2.0
81.07062	53.9
83.04989	4.1
83.08630	14.0
84.04517	2.1
85.02893	2.4
91.05494	16.3
93.07047	42.5
95.04971	2.6
95.08612	100.0
97.02869	2.5
97.06542	4.3
97.10172	7.7
99.08107	1.9
105.07040	37.6
107.08601	47.9
109.06509	2.7
109.10170	45.9
109.10919	2.6
111.08089	5.9
111.11691	2.0
117.07025	5.0
119.08587	48.4
121.06511	1.9
121.10154	50.6
121.11027	2.5
123.08093	2.1
123.11726	23.0
125.09652	4.9
129.07004	2.7
130.07768	1.9
131.08586	14.9
133.10139	40.4
135.11702	41.0
136.66730	1.3
137.09596	2.5
137.13248	20.2
137.14209	1.5
139.11154	4.3
143.08580	7.0
144.09377	1.8
145.10133	28.8
147.11702	28.4
149.09616	2.7
149.13264	25.2
151.11198	4.0
151.14835	3.8
155.08623	1.5
156.09352	1.9
157.10146	8.1
158.10947	1.5
159.11713	28.3
161.13277	15.6
163.11185	3.3
163.14888	8.3
165.09122	1.8
166.90863	1.4
171.11664	7.6
172.12434	1.9
173.13266	17.5
175.14832	15.4
177.12813	3.1
177.16399	13.0
179.17932	2.0
183.11711	3.0
185.13292	5.6
187.14806	9.4
189.16402	20.1
191.14262	2.7
191.17949	50.3
193.15665	1.4
197.13330	4.6
199.14816	7.3
201.16399	21.4
203.14389	2.8
203.17972	23.7
205.16035	1.7
205.19518	8.4
207.17535	3.4
211.14786	2.3
213.16432	5.7
215.17949	16.4
217.15973	2.2
217.19571	8.0
219.17482	17.0
227.17966	4.3
229.19533	4.8
231.17444	2.9
231.21153	1.8
233.19012	8.5
241.19661	2.7
243.17586	1.6
243.21034	1.9
245.19087	5.7
253.19580	3.1
255.21085	4.0
257.22635	2.3
259.20670	1.7
267.21103	2.6
269.22592	3.3
271.20505	2.3
273.22229	5.7
281.22610	1.5
285.22299	3.8
299.23642	2.5
313.25443	1.7
323.27289	1.5
341.28461	1.7
395.36792	1.9
405.25485	1.4
405.35205	14.7
423.36258	89.3
424.36554	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	423.3621
Annotation	Glochidone
Peak:m/z	Relative Intensity
53.03932	1.5
54.17242	1.2
55.05507	13.7
57.07061	3.9
65.03934	2.8
67.05176	2.0
67.05507	29.6
69.07069	20.8
70.08237	4.8
79.05058	1.4
79.05489	14.3
81.07060	47.1
82.64700	1.1
83.08624	10.2
87.97282	1.0
91.05479	14.3
93.07048	39.2
95.04934	1.8
95.08610	95.6
97.06477	1.4
97.10181	7.3
98.20823	1.5
98.21363	2.0
103.05529	1.3
105.07034	34.4
107.08598	55.4
109.06504	3.6
109.10159	49.3
111.08099	16.7
111.11713	3.2
117.06998	6.7
119.08585	46.0
121.10142	37.7
123.08076	1.9
123.11714	19.5
129.07010	1.5
131.08575	11.5
133.10135	37.5
135.11690	28.1
137.13248	5.8
139.11177	2.5
143.08615	6.9
144.09404	1.3
145.10132	24.7
147.11687	25.4
149.13254	16.0
151.11189	1.6
151.14902	2.1
155.08566	2.4
157.10120	9.7
158.10875	1.6
159.11710	25.3
159.13008	1.4
161.13263	22.1
163.14807	15.7
165.12787	2.5
169.10107	1.7
171.11618	8.2
172.12491	1.7
173.11807	2.6
173.13234	14.9
175.14841	15.4
177.12805	1.4
177.16405	16.9
183.11674	2.5
185.13222	6.2
186.14026	1.6
187.14815	13.0
189.16373	20.1
191.14325	1.6
191.17964	10.3
197.13272	2.4
199.14842	5.5
201.16380	33.3
203.17950	32.7
205.15894	4.2
205.19591	4.0
207.17422	3.6
211.14809	1.8
213.16341	7.0
215.17970	13.4
217.15968	3.0
217.19513	15.0
217.61690	1.3
219.17442	6.2
219.21077	1.4
225.16438	2.0
227.17941	11.1
229.19473	10.0
231.17470	2.6
231.21132	2.5
233.19028	2.2
239.17892	2.0
241.19618	6.7
243.21124	6.4
253.19644	1.7
255.21078	7.8
257.22607	7.9
259.20590	2.2
267.21188	1.5
269.22662	10.6
271.24316	2.6
271.78699	1.3
281.22702	2.7
283.24258	3.3
285.22412	1.6
285.25681	2.2
295.24075	1.4
309.25891	2.3
313.25241	2.9
320.90582	1.2
325.29431	1.5
340.22156	1.1
349.28992	1.6
353.28387	1.2
363.30399	1.6
365.32187	8.2
405.35205	8.4
423.36221	100.0
424.36447	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	423.3622
Annotation	Glochidone
Peak:m/z	Relative Intensity
53.03942	2.8
54.55897	2.0
55.05505	8.2
57.07069	6.5
59.05011	2.6
65.03940	2.8
67.05510	26.0
69.07070	26.3
70.87071	2.2
70.87405	5.2
71.05004	2.4
71.08620	2.8
75.07568	2.4
79.05486	14.0
81.07062	51.1
81.17804	2.1
83.08643	11.4
91.05470	10.0
93.07041	29.9
95.08611	68.0
97.06542	3.4
97.10187	3.6
105.07033	26.7
107.08598	52.4
107.09296	3.6
109.06564	4.0
109.10156	58.2
111.08058	2.8
111.09755	2.3
111.11715	5.1
112.43984	2.1
117.07005	3.6
119.08584	36.1
121.10146	55.9
123.08089	7.4
123.11725	23.8
127.84932	2.0
131.08582	9.6
133.10141	34.5
135.08119	3.8
135.11716	27.8
137.09604	5.0
137.13271	12.2
138.24304	2.2
143.08597	4.1
145.10130	16.6
147.11682	25.1
147.12651	2.7
149.09644	4.1
149.13269	22.0
151.11226	3.8
151.14915	3.7
156.16692	2.3
157.10124	5.5
159.11703	19.2
161.13254	16.8
163.11203	5.9
163.14850	12.8
165.09171	4.1
165.12839	3.9
171.11703	7.6
173.13202	15.5
175.14851	17.8
177.12798	4.4
177.16420	12.0
179.14349	8.0
183.11772	2.7
185.13289	6.1
187.14787	11.0
189.16360	12.5
191.17969	8.4
193.15919	2.8
199.14827	7.3
201.16473	9.2
203.14456	3.1
203.17981	16.6
205.15924	8.1
205.19551	6.2
213.16476	6.9
215.17992	6.3
217.19508	14.4
219.17482	3.2
225.16458	4.7
227.18039	5.0
229.19580	7.4
231.17439	5.3
231.21133	4.0
233.19035	3.1
241.19572	4.6
243.21152	9.6
245.19016	3.3
245.22754	4.1
247.20644	3.4
255.21159	7.6
259.20779	3.0
259.24188	2.5
261.22229	4.6
267.21179	3.0
269.22699	9.7
271.20813	3.2
271.24191	4.9
273.22253	3.2
281.22720	4.4
283.24307	7.8
285.22226	10.4
285.25702	3.7
297.25934	3.2
311.27490	3.7
313.25208	3.8
327.26724	2.7
331.26401	4.7
405.35242	20.7
410.72717	2.3
423.31396	8.4
423.36295	100.0
424.36511	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	423.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.05292	1.6
55.05516	14.2
57.07072	5.3
65.03938	1.9
67.05176	2.6
67.05509	38.4
69.06720	2.2
69.07069	23.2
70.90688	3.1
71.04980	1.6
71.08625	2.4
76.89416	1.4
77.03919	1.6
79.05499	20.1
81.07063	53.3
83.05007	2.0
83.08629	12.6
84.04499	3.4
88.07629	1.5
91.05476	21.5
93.07049	38.1
95.04952	2.4
95.08611	93.5
97.10178	4.3
99.08129	2.7
105.07040	36.9
107.08599	55.7
109.06517	5.7
109.10164	49.2
111.08101	11.9
111.11714	1.7
117.07025	4.7
119.08588	42.4
120.08914	1.5
121.06555	2.0
121.10150	42.0
123.08064	2.1
123.11714	19.2
125.09628	1.7
128.06226	1.7
129.06892	2.4
130.05028	2.3
130.07751	1.5
131.08575	14.2
133.10141	37.3
135.11703	26.9
137.09691	1.8
137.13255	11.3
139.11159	5.0
142.07848	1.5
143.08594	5.5
145.10130	25.2
147.11696	29.2
149.02328	4.9
149.13274	21.0
150.02632	1.8
151.11090	1.4
151.14780	2.3
155.08604	2.6
157.10139	9.9
158.10890	1.8
159.11697	26.4
161.13284	19.3
163.11261	1.8
163.14835	16.3
165.12740	2.8
169.10115	3.1
171.11728	6.8
173.11865	2.5
173.13274	12.3
175.11044	1.3
175.14816	13.7
177.12819	2.4
177.16418	18.5
179.14313	3.3
183.11720	3.7
185.13217	7.6
186.13911	1.7
187.14827	13.0
189.16380	17.6
191.17944	10.6
193.04988	3.9
193.15892	4.0
194.05397	3.5
195.13934	1.8
195.17351	1.3
197.13303	2.2
199.14821	6.9
201.16399	27.8
203.17978	26.4
205.15984	4.3
205.19551	3.7
207.17456	2.4
211.14760	2.0
213.16420	8.4
215.17955	14.7
217.15950	3.0
217.19501	13.4
219.17477	3.4
227.17993	6.4
229.19521	9.4
231.17441	2.0
231.21144	3.4
233.19090	2.6
239.17996	1.7
241.19531	6.3
243.21124	6.1
245.19055	2.0
245.22656	2.4
253.19443	1.9
255.21097	7.6
256.26312	2.5
257.22672	6.0
257.26605	2.8
259.20621	3.0
261.22223	1.8
267.21121	1.9
269.22626	11.5
271.20758	2.0
271.24158	2.4
273.22076	1.9
281.22571	2.6
283.24280	3.3
285.22137	4.2
290.18658	1.4
295.24164	1.9
297.25888	1.6
309.25778	1.5
313.21622	2.2
313.25180	3.0
331.22668	1.9
365.32159	6.5
405.26462	2.4
405.35306	9.8
405.40039	2.0
423.23334	2.9
423.29504	10.0
423.36221	100.0
424.36487	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	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89503	2.0
53.96500	2.0
55.01878	3.0
55.05520	19.9
57.07077	7.6
62.59619	2.2
65.03944	2.1
67.05516	28.3
68.05029	2.2
69.05812	3.6
69.07072	24.5
70.06587	4.7
70.68015	4.8
70.68368	5.3
71.08620	2.4
79.05494	16.1
81.07068	67.2
82.88498	2.1
83.04965	2.3
83.08639	13.2
86.09716	25.3
91.05478	24.8
93.07059	49.9
95.04997	5.7
95.08614	100.0
97.02875	2.9
97.06547	5.6
97.10189	8.1
103.05475	8.5
105.07031	56.6
107.08599	66.3
109.06499	4.9
109.10167	56.7
110.57243	2.1
111.08089	5.9
111.11765	2.4
117.07030	8.7
118.06573	7.7
119.04957	2.7
119.07801	4.7
119.08593	68.0
120.08121	27.9
121.06554	2.8
121.10151	51.0
123.04424	2.9
123.11713	28.1
125.09625	7.0
129.07042	5.1
131.08597	24.5
133.10138	45.0
135.08055	3.2
135.11696	38.8
137.09650	2.4
137.13283	19.8
139.11195	4.2
143.08594	8.7
144.09370	5.2
145.10123	41.1
146.06021	10.1
146.10489	2.4
147.11697	30.5
149.13264	26.8
153.05525	5.9
156.09358	3.0
157.10126	12.5
159.11705	46.8
161.13300	22.8
163.11157	4.1
163.14838	10.7
167.07173	2.6
169.10132	3.5
171.11726	9.9
172.31012	2.4
173.13280	26.0
174.09229	7.0
175.14850	18.6
177.16457	11.2
179.14368	4.1
182.08185	3.6
185.13249	9.6
187.14841	20.7
189.16414	19.7
191.14297	4.3
191.17947	45.8
193.15872	2.7
197.13324	4.2
199.14838	7.2
201.16377	23.7
203.14282	4.7
203.17946	17.7
205.15919	9.4
205.19530	11.1
213.16405	8.6
215.17989	29.9
217.15976	4.0
217.19495	14.1
219.17436	17.7
227.17973	5.5
229.19595	8.8
231.17427	5.9
231.21143	4.5
233.19019	30.6
241.19678	4.3
243.21071	5.1
245.19044	4.5
245.22742	5.1
255.21117	5.6
257.22693	4.5
267.20929	3.4
269.22800	5.8
270.11264	3.1
271.20782	3.5
273.22116	2.8
285.22076	5.2
378.18811	2.6
405.35117	18.0
423.23767	6.9
423.36240	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Glochidone
Peak:m/z	Relative Intensity
50.39579	0.7
51.12315	0.7
52.04176	0.6
55.05514	5.1
57.07069	3.0
63.68988	0.8
67.05509	9.8
69.03426	1.4
69.07078	10.5
70.72318	1.6
79.05499	6.8
81.07063	26.7
83.05003	1.0
83.08640	3.3
84.33557	0.7
85.06525	0.8
85.07703	0.7
86.09711	1.1
89.06045	0.8
91.05486	3.7
93.07049	11.0
95.04978	2.3
95.08614	34.6
97.10155	2.6
100.24566	0.7
105.07047	8.2
107.08607	18.0
109.06556	2.0
109.10169	16.6
111.08073	1.3
111.11713	2.5
117.06992	1.1
119.08596	11.1
121.06521	1.0
121.10152	14.2
123.08070	4.3
123.10933	0.9
123.11734	8.7
125.09644	0.8
125.13242	0.7
129.07025	0.9
131.08586	4.3
133.10136	8.3
135.08070	2.9
135.11691	10.9
137.09656	1.1
137.13269	13.1
143.08607	2.0
145.10139	6.7
147.11708	6.9
149.09647	2.6
149.13271	11.3
151.14798	2.1
157.10144	3.1
159.11699	5.5
161.09605	2.4
161.13249	5.3
163.11177	1.5
163.14844	2.9
168.92612	0.7
169.10173	1.2
171.11699	3.0
173.13300	4.0
175.11278	1.6
175.14847	3.8
176.23029	0.8
177.16444	2.0
179.14325	3.3
183.11719	1.6
185.13306	1.5
187.11226	1.0
187.14813	3.8
189.12683	1.0
189.16409	4.5
191.17929	4.7
193.19472	0.9
197.13322	1.2
199.14822	2.8
201.16399	2.4
203.14302	1.0
203.17969	3.1
205.15985	0.9
205.19556	1.6
209.13280	0.8
211.14859	1.3
213.16414	2.5
215.17938	3.0
217.15866	3.5
217.19496	1.7
219.17488	2.0
223.14778	0.8
225.16426	1.0
227.18074	1.9
229.19633	1.3
231.17538	1.7
231.21011	1.2
233.19008	1.2
241.19588	1.8
243.21072	2.0
245.18958	0.9
255.21031	2.9
257.22757	1.0
259.20688	1.6
267.21149	2.1
269.22684	1.6
273.22165	1.2
283.24228	1.6
285.22095	3.8
309.25510	0.8
331.26367	1.3
405.35187	6.7
423.31485	5.7
423.36252	100.0
424.36856	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
53.91957	1.5
55.05519	15.3
57.03430	2.9
57.07069	5.0
61.61926	1.4
65.03928	2.2
67.05511	45.1
69.03423	2.8
69.06725	2.7
69.07070	35.4
70.17132	6.9
71.04974	2.3
71.08634	1.8
71.21593	1.6
75.01065	1.7
79.05487	16.9
80.10104	1.6
81.07063	47.4
83.04967	4.1
83.08651	11.0
85.06541	2.7
91.05488	14.1
93.07045	29.4
95.04976	4.0
95.08614	56.5
96.78855	1.6
97.06535	5.4
97.10152	4.5
99.08097	2.1
105.07027	25.3
107.08597	35.2
109.06539	12.3
109.10168	50.4
111.08046	3.5
111.11670	3.0
113.76545	1.6
117.07008	4.8
119.08596	31.7
119.34799	1.5
121.06470	1.8
121.10151	27.4
121.11004	2.2
123.08075	41.4
123.11707	14.1
125.09611	2.6
129.06970	4.1
131.08580	16.1
133.10146	22.7
135.07092	1.5
135.08072	9.7
135.11693	21.7
137.09593	4.8
137.13246	5.3
142.07796	2.7
143.08545	5.6
145.10159	20.9
147.11708	16.8
149.09630	3.9
149.13263	12.7
151.11197	1.7
151.14842	2.4
155.08601	3.6
155.10661	1.6
156.09314	4.1
157.10133	14.8
159.11696	24.3
161.13263	15.1
163.14795	5.6
165.12694	2.3
169.10136	6.0
170.10962	2.1
171.11708	17.9
173.13263	16.3
175.14862	9.2
177.12766	5.6
177.16380	7.7
179.14333	25.2
183.11681	8.4
185.13293	10.9
185.26039	1.8
187.14803	12.0
189.16357	6.9
191.17953	3.8
193.15887	2.0
197.13280	6.3
199.14822	7.4
201.16376	13.7
203.17929	5.4
205.15858	2.2
209.13292	3.7
211.14807	4.0
213.16402	5.1
215.18008	8.3
217.19437	2.3
224.15450	2.1
225.16400	3.9
227.17932	6.3
229.19475	2.3
231.21115	2.2
233.19051	3.2
239.17911	10.8
241.19485	4.6
243.21196	2.9
253.19485	6.6
255.21095	3.1
257.18918	7.1
257.22488	2.1
259.20578	2.0
267.21088	2.9
269.22617	4.8
271.20547	6.0
273.22009	1.8
275.20087	4.8
279.21094	2.0
281.22586	3.3
283.24216	2.0
285.22144	3.0
295.24377	2.1
299.23694	4.3
303.26721	5.2
331.26352	32.3
335.27823	1.9
349.28174	1.8
405.30542	2.2
405.35214	19.3
423.25912	3.4
423.30920	77.8
423.36197	100.0
424.31265	4.3
424.36615	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	423.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	33.4
57.07066	30.4
57.26871	7.7
62.72411	7.5
67.05518	50.9
67.35928	6.9
69.03429	11.4
69.07080	60.0
69.21994	13.8
69.22409	63.8
71.08621	23.4
71.51198	6.5
71.96387	6.3
73.56923	7.4
74.68781	6.6
79.05496	24.3
81.07063	89.6
83.08619	25.1
89.06004	8.5
91.05470	20.4
93.07064	64.2
95.08617	100.0
97.10170	17.1
99.04445	28.9
105.07035	37.5
107.08601	63.7
109.10177	77.8
111.11687	8.9
112.31178	8.2
117.06986	9.1
119.08579	57.4
121.10148	55.0
121.35871	6.5
123.08052	21.5
123.11707	35.1
125.09639	13.0
131.08548	14.0
133.10162	38.0
134.00819	6.5
135.11700	44.2
137.13235	10.4
143.08502	7.8
145.10106	20.9
147.11736	34.1
149.09604	14.4
149.13248	26.4
151.11299	7.4
156.07555	7.4
157.10162	8.1
159.11707	27.6
161.13274	22.4
163.14816	13.9
165.09158	42.5
171.11778	7.4
173.13271	17.1
175.14816	13.0
177.16454	13.5
179.14355	35.7
185.13327	10.1
187.14859	10.4
189.16388	14.4
191.17938	20.9
201.16356	16.0
203.17941	25.1
203.39003	6.8
208.06779	7.8
213.16348	12.0
215.17975	18.9
217.19586	24.4
219.17451	8.7
219.59492	6.6
222.07152	6.6
229.19516	9.4
301.08530	8.8
331.26282	18.0
405.35242	13.0
423.31131	37.0
423.36176	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	423.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.5
55.05262	2.8
55.05515	34.9
57.03167	1.9
57.03436	7.1
57.07081	20.6
57.91345	1.6
58.84353	1.7
59.04991	2.4
65.03938	3.2
67.01871	4.1
67.05511	54.4
69.03439	44.9
69.07075	53.1
69.07455	2.4
69.79237	9.9
71.05001	4.0
71.08637	14.9
75.67307	1.6
79.05501	26.9
81.03432	3.5
81.07066	73.3
83.04972	4.5
83.08630	28.2
85.02899	3.5
85.06555	2.9
85.10178	7.5
89.06034	7.8
89.67479	1.8
91.05499	19.2
93.07056	40.5
95.04976	18.1
95.08617	79.6
96.08968	1.7
97.02914	2.7
97.06540	8.2
97.10178	13.1
97.10733	2.7
98.21500	2.3
103.35978	1.9
105.07042	31.3
105.07691	3.0
107.04918	2.0
107.08608	52.2
109.06514	14.4
109.10165	45.3
109.10915	2.2
111.04472	2.4
111.08095	8.3
111.11752	8.6
113.06017	5.7
115.05461	3.3
117.07013	6.5
119.07782	3.4
119.08591	38.1
121.06541	4.8
121.10153	35.5
123.04440	25.0
123.08089	10.9
123.11719	20.6
125.06008	7.0
125.09637	2.7
125.13229	1.9
127.11216	1.9
128.06265	2.2
129.05455	2.0
129.06998	2.2
130.07779	2.2
131.08585	20.6
133.08644	3.3
133.10146	27.1
135.08054	7.6
135.11716	24.2
137.05972	2.8
137.09636	10.0
137.13286	7.7
141.05481	27.2
142.07822	4.5
142.11325	1.9
143.08609	8.4
145.10130	27.1
147.08092	2.1
147.11714	20.7
149.09631	7.8
149.13277	11.6
151.07544	4.9
151.11188	7.6
155.07037	9.7
155.08353	3.2
156.09401	2.8
157.10135	15.5
159.08057	3.0
159.11723	21.4
161.09593	3.9
161.13290	17.4
163.11160	2.9
163.14851	7.4
165.09142	9.3
165.12740	3.1
167.10666	3.0
169.08629	6.4
169.10139	6.1
171.11684	8.8
173.13295	12.7
175.11197	3.7
175.14828	12.1
175.81805	1.9
177.12680	2.6
177.16417	5.3
179.10704	4.1
179.14290	3.4
181.97478	1.6
183.10196	6.7
183.11787	5.8
185.13341	8.5
187.11285	2.7
187.14850	10.2
189.12697	3.2
189.16402	11.3
191.10709	2.1
191.17999	7.9
193.12273	4.5
193.15886	2.6
197.11768	7.7
197.13376	3.2
199.14876	8.4
199.82887	1.7
201.16423	13.5
203.14421	3.6
203.17976	11.0
205.19553	2.2
207.17430	3.0
209.11653	2.8
211.14946	4.2
213.16406	6.8
215.14355	2.1
215.18001	10.4
217.19572	6.0
219.17352	2.8
221.15450	9.8
225.14815	3.7
227.17964	2.9
229.19531	4.1
231.17331	2.5
233.19086	4.1
241.19545	3.0
243.21082	3.4
255.21222	4.2
257.22629	2.7
269.22769	4.3
271.24301	2.3
273.22177	2.8
279.19647	2.0
281.22772	2.0
285.22104	3.4
309.24261	2.1
331.26263	2.1
349.28333	1.8
369.31552	4.0
387.32648	15.7
405.33762	56.9
406.34402	2.3
423.35388	100.0
424.35931	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05519	6.7
57.03442	1.6
57.07078	2.5
59.05003	1.4
66.76580	0.8
67.05235	1.0
67.05514	12.5
69.03444	1.0
69.07080	9.5
69.99112	3.2
71.05000	1.9
71.08624	2.0
79.05495	8.3
79.70648	0.9
81.07063	19.0
83.04968	2.3
83.08614	4.2
85.06557	1.7
91.05485	5.4
93.07050	11.1
95.04976	1.5
95.08618	15.6
97.06535	3.0
97.10206	1.1
97.75434	0.9
99.08076	1.3
104.02850	0.9
105.07049	7.1
107.08597	10.4
109.06527	12.3
109.10169	8.8
111.08089	1.7
117.07047	0.9
119.08582	9.6
121.06467	1.1
121.10148	7.5
123.08080	49.3
123.11705	3.2
131.08592	2.4
133.10155	5.3
135.08076	7.1
135.11734	4.7
137.09628	3.4
137.13251	1.3
143.08545	1.1
145.10143	4.6
147.11700	3.6
149.09625	3.5
149.13304	2.9
151.11209	1.4
157.10120	2.1
159.11780	4.3
161.13237	2.1
163.11172	1.5
165.12733	1.2
167.14297	1.5
173.13329	2.6
175.14876	2.4
177.12769	3.9
177.16281	1.3
179.14337	31.0
179.19411	1.1
185.13411	1.3
201.16321	1.1
205.15852	1.9
263.20108	1.8
275.20129	4.6
293.21143	2.8
299.73145	1.0
303.26831	5.3
331.26343	33.7
332.26743	1.2
349.27426	8.9
367.24850	2.3
405.30258	2.2
409.51642	1.0
423.31119	100.0
423.35284	4.2
424.31458	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
53.27275	0.8
55.01862	1.0
55.05518	8.1
57.03432	2.9
57.07070	3.4
65.03946	0.9
67.05505	16.6
69.03428	2.4
69.07073	14.2
69.24853	3.8
69.25277	3.9
71.04988	2.4
71.08643	2.1
79.05494	10.5
81.03430	1.8
81.07060	24.4
83.04980	2.8
83.08630	6.7
85.06544	2.5
86.17832	0.7
91.05493	7.3
92.11937	0.7
93.07045	15.1
95.04993	2.3
95.08611	20.2
97.06537	2.9
97.10176	2.4
99.08088	1.4
105.07034	12.3
106.71262	0.7
107.08606	17.6
109.06525	12.1
109.10155	14.5
111.08091	3.4
117.07045	2.2
119.08585	12.8
121.06541	1.1
121.10147	13.2
122.07308	1.0
123.08074	51.7
123.11707	5.8
124.08397	0.8
125.09660	1.8
129.07016	1.3
131.08589	3.4
133.10127	9.0
135.08052	9.4
135.08969	0.9
135.11707	7.6
137.09636	4.5
137.13272	2.3
141.07063	0.8
143.08571	1.2
144.09299	1.0
145.10138	7.4
147.11713	6.6
149.09624	4.5
149.13268	4.6
151.11240	1.9
151.14819	0.9
157.10100	1.2
159.11708	5.9
161.09666	1.5
161.13252	4.6
163.11198	1.8
163.14833	1.4
165.12830	1.7
167.14328	0.9
169.10107	1.4
171.11656	1.7
173.11951	0.9
173.13220	3.5
175.14864	2.2
177.12799	4.0
177.16426	1.2
179.14325	25.2
183.11763	1.0
185.13298	2.1
187.14848	3.0
189.16399	2.5
191.14264	1.4
191.17998	2.4
193.15898	1.5
196.23714	0.8
199.14760	1.4
201.16415	4.2
203.18011	2.3
205.15909	1.6
213.16403	1.6
215.17998	2.4
217.15843	0.9
219.17461	0.9
227.17996	1.0
229.19560	1.1
233.19046	1.3
247.20554	1.1
261.22202	0.8
263.20071	2.1
269.22919	1.0
275.19958	3.9
277.21716	0.9
283.23926	0.9
289.25272	1.8
293.21164	4.3
295.24152	1.1
297.25952	0.8
303.23654	1.2
303.26886	4.9
313.25372	1.2
331.26328	34.7
332.26761	1.3
349.27429	9.1
367.24887	2.1
387.25281	0.9
405.29889	2.1
405.35281	2.3
423.31107	100.0
423.36237	9.8
424.31656	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	423.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	33.4
57.07066	30.4
57.26871	7.7
62.72411	7.5
67.05518	50.9
67.35928	6.9
69.03429	11.4
69.07080	60.0
69.21994	13.8
69.22409	63.8
71.08621	23.4
71.51198	6.5
71.96387	6.3
73.56923	7.4
74.68781	6.6
79.05496	24.3
81.07063	89.6
83.08619	25.1
89.06004	8.5
91.05470	20.4
93.07064	64.2
95.08617	100.0
97.10170	17.1
99.04445	28.9
105.07035	37.5
107.08601	63.7
109.10177	77.8
111.11687	8.9
112.31178	8.2
117.06986	9.1
119.08579	57.4
121.10148	55.0
121.35871	6.5
123.08052	21.5
123.11707	35.1
125.09639	13.0
131.08548	14.0
133.10162	38.0
134.00819	6.5
135.11700	44.2
137.13235	10.4
143.08502	7.8
145.10106	20.9
147.11736	34.1
149.09604	14.4
149.13248	26.4
151.11299	7.4
156.07555	7.4
157.10162	8.1
159.11707	27.6
161.13274	22.4
163.14816	13.9
165.09158	42.5
171.11778	7.4
173.13271	17.1
175.14816	13.0
177.16454	13.5
179.14355	35.7
185.13327	10.1
187.14859	10.4
189.16388	14.4
191.17938	20.9
201.16356	16.0
203.17941	25.1
203.39003	6.8
208.06779	7.8
213.16348	12.0
215.17975	18.9
217.19586	24.4
219.17451	8.7
219.59492	6.6
222.07152	6.6
229.19516	9.4
301.08530	8.8
331.26282	18.0
405.35242	13.0
423.31131	37.0
423.36176	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	423.2742
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03954	13.8
55.01880	4.6
55.05514	29.7
57.03434	9.1
58.65332	4.4
66.17730	4.1
67.05172	6.9
67.05509	100.0
67.29604	4.3
69.03441	41.2
69.07085	24.4
70.85047	8.3
70.85390	6.1
71.04974	8.1
73.02936	4.8
79.05495	62.5
81.03429	43.8
81.07061	78.7
83.04978	9.6
83.08614	12.8
85.02929	9.5
91.05489	56.2
93.07055	77.5
95.04974	14.1
95.08617	65.7
97.02885	10.1
97.06547	6.0
97.10197	6.9
99.04440	6.2
99.08061	4.5
103.88380	4.7
105.07034	45.6
107.04939	6.3
107.08600	45.4
109.02905	7.1
109.06532	12.7
109.10147	37.2
111.04427	11.6
117.07058	19.6
119.08579	46.9
121.06537	5.8
121.10159	40.4
123.08049	7.7
123.11755	11.7
127.03973	6.1
129.07013	13.0
131.08580	34.0
133.06520	4.8
133.10159	38.7
135.08095	6.6
135.11702	24.0
137.09705	4.1
139.11195	4.8
143.08569	14.8
145.06470	5.7
145.09164	4.5
145.10117	21.0
147.08011	6.0
147.11661	20.4
149.13263	17.8
153.05545	5.0
155.08617	8.2
157.10136	14.4
159.07950	5.8
159.11699	27.8
161.13319	16.8
163.14827	7.8
169.10248	5.0
171.02158	4.2
171.11708	18.3
173.13251	16.8
175.14851	7.3
183.11925	4.4
183.54715	5.5
185.13269	6.7
187.14764	10.8
189.16389	4.4
191.14388	4.6
197.13426	5.7
199.14706	4.1
211.14742	4.7
243.21011	5.7
249.14835	5.2
259.20648	12.0
261.22043	20.0
270.79456	4.6
273.22052	5.5
277.21643	10.1
285.22104	6.1
289.21561	5.1
301.21646	5.4
303.23181	21.5
319.22708	5.4
323.23428	5.3
351.23279	8.9
369.24155	24.1
387.25369	23.8
405.26315	25.9
423.27271	33.3
423.36203	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	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50994	1.1
51.02360	1.1
53.03941	4.8
55.01859	3.2
55.05516	17.9
57.03427	2.9
57.07078	7.0
59.04994	1.6
60.73096	1.1
61.05663	1.1
65.03937	1.4
67.05510	49.8
69.03437	11.7
69.06724	2.3
69.07072	25.9
69.62687	5.4
69.63104	2.1
69.98344	1.1
71.04984	3.0
71.08621	1.9
73.02927	1.5
77.03940	1.5
79.05497	34.0
81.03423	10.1
81.07065	79.6
83.04982	5.4
83.08620	11.7
85.02911	6.0
85.06542	2.1
85.10149	1.1
91.05486	31.7
93.07053	54.5
95.04994	8.2
95.08614	88.6
97.02914	6.1
97.06535	5.2
97.10168	7.1
99.04445	2.2
99.08083	3.9
105.03399	9.5
105.07041	49.6
107.04989	3.4
107.08600	56.0
109.02876	2.9
109.06520	4.1
109.10165	61.3
111.04456	3.1
111.08102	4.0
111.11732	2.8
113.09674	1.0
117.07027	12.8
119.08588	45.9
121.06544	2.1
121.10153	57.9
122.24718	1.0
123.04465	1.6
123.08099	6.1
123.11723	24.5
125.05950	1.7
125.09655	2.6
125.13222	1.1
127.03915	2.3
128.06216	2.2
129.05522	1.6
129.06982	7.6
131.08582	23.3
133.10141	50.8
135.08049	4.7
135.11705	36.8
137.05991	4.2
137.09634	3.8
137.13255	9.2
139.11211	2.7
141.05481	1.3
141.07018	1.5
143.08571	7.5
144.09322	1.4
145.09026	2.3
145.10132	29.2
146.08165	1.2
147.08020	3.0
147.11705	39.9
149.09627	4.4
149.13266	25.8
151.07503	2.4
151.11174	4.1
151.14752	1.8
153.12650	1.3
155.08553	2.9
157.10146	10.5
159.11710	25.6
161.09645	1.2
161.13264	27.6
163.11174	3.8
163.14821	18.2
165.09103	1.5
165.12775	3.9
167.08629	1.4
169.10146	3.9
171.08072	1.8
171.11734	8.5
173.13264	19.6
175.11200	3.1
175.14876	15.6
177.12740	4.5
177.16408	13.0
179.14357	2.6
181.10114	1.3
183.11684	5.1
185.09724	1.9
185.13272	9.9
187.11191	1.9
187.14816	14.3
189.12854	1.8
189.16403	31.5
191.14334	4.3
191.17973	10.9
193.15854	1.9
197.13312	3.1
199.14807	8.7
201.16396	18.2
203.14505	1.2
203.17979	33.6
204.86911	1.2
205.15900	5.0
205.19576	2.7
207.13705	1.2
207.17439	2.9
208.10292	1.1
209.13301	1.5
211.14844	3.3
213.16402	8.8
215.17964	16.2
217.15973	3.7
217.19530	21.0
219.17465	4.6
225.16393	3.2
227.17966	3.9
229.19595	7.4
231.17458	6.2
231.21129	3.2
233.19102	3.5
239.18002	2.6
241.19571	4.8
243.21140	5.1
245.19066	2.9
245.22725	1.6
247.20621	2.2
249.14790	1.3
253.19586	2.7
255.21098	5.6
257.22607	2.3
259.20612	8.2
259.24429	1.4
261.22180	5.8
267.21161	2.5
269.22681	2.6
271.20667	1.3
271.24152	2.4
273.22098	2.8
275.23679	2.5
277.21667	3.0
279.23373	1.3
281.22693	2.4
283.24283	1.6
285.22235	2.8
285.25378	1.1
291.23203	2.0
295.24356	2.5
297.25876	1.5
299.23697	2.4
301.21619	1.2
303.23145	9.2
309.25491	1.4
313.25320	3.6
315.23276	2.4
317.24582	1.3
319.22653	2.4
327.26782	1.3
341.24881	2.6
345.24271	1.7
351.23325	2.5
369.24246	10.5
387.25388	10.1
387.40948	1.1
405.26511	11.8
405.35031	13.1
423.27875	7.1
423.36234	100.0
424.36847	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85005	1.9
53.03943	14.8
55.01865	11.2
55.05515	36.4
57.03439	12.8
57.07076	7.9
65.03946	5.7
67.05509	100.0
67.05872	4.8
69.03436	35.2
69.07071	33.9
69.40279	20.1
71.01376	3.6
71.04987	10.6
73.02913	4.1
77.03943	2.8
79.05496	68.4
81.03423	42.8
81.07062	98.4
83.05009	13.3
83.08626	11.8
85.02914	17.1
85.06542	4.3
91.05482	64.9
93.07050	90.1
95.04974	15.9
95.08609	84.5
97.02888	12.5
97.06522	7.1
97.10168	7.7
98.21501	4.1
99.04478	6.2
99.08118	3.4
103.03928	3.9
103.05450	3.7
105.07035	61.0
107.04948	4.6
107.08597	53.2
109.02883	5.8
109.06525	8.9
109.10161	40.2
111.04449	7.9
111.08113	4.4
115.05434	2.5
117.07001	25.9
119.08578	54.5
120.97895	2.3
121.06496	8.4
121.10143	48.0
123.04420	4.7
123.08037	4.5
123.11741	12.0
125.09608	2.7
127.03918	6.5
129.05464	6.9
129.07014	15.3
130.07776	2.7
131.08578	42.0
133.06477	7.1
133.10136	41.3
135.08052	7.9
135.11702	31.6
137.05927	2.6
137.09608	5.3
137.13266	5.6
139.11134	2.2
141.07005	4.0
142.07811	4.1
143.08565	16.7
145.06473	2.9
145.10130	37.5
147.08105	4.6
147.11690	35.9
149.09618	2.6
149.13251	17.4
151.11098	2.5
155.08574	6.4
157.06511	4.8
157.10161	13.9
159.08064	2.5
159.11682	27.4
161.09610	4.8
161.13289	21.6
163.11217	5.1
163.14819	7.8
165.12808	4.3
169.10146	7.8
171.11734	10.4
173.09650	2.8
173.13292	17.5
175.14850	9.2
177.08952	2.4
177.16431	3.1
178.09314	3.0
179.10690	2.7
181.10312	3.3
183.11719	5.8
184.31705	2.6
185.09636	2.2
185.13271	10.2
187.07497	2.3
187.14851	7.3
189.12784	4.4
189.16420	4.9
191.14340	2.6
195.14192	2.5
197.13300	4.1
199.14825	8.1
201.12691	2.8
201.16441	8.4
203.14427	3.2
205.12202	4.0
211.11241	3.2
213.16460	3.5
215.14517	2.5
215.18216	2.5
217.19548	2.5
219.13864	2.3
229.19620	2.9
233.15450	3.6
241.16025	2.6
241.19542	4.6
243.21056	6.2
249.14798	2.9
255.21036	2.9
259.20618	12.9
261.22153	28.5
271.20633	4.1
273.22083	6.4
277.14279	2.7
277.21667	9.2
285.22217	4.0
289.21686	6.7
291.23203	4.6
297.22110	2.4
301.21637	5.3
303.23230	16.2
309.10559	2.5
315.23306	3.8
319.22867	3.7
327.23062	3.5
341.24844	4.5
345.24310	4.2
350.48776	2.7
351.23264	7.6
369.24216	24.7
387.25247	22.1
405.26379	31.3
405.35220	3.4
423.27209	21.0
423.36227	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27161	1.9
53.03944	11.5
55.01872	12.2
55.05514	33.7
57.03436	5.8
57.07071	5.6
58.15368	2.0
59.04982	4.3
65.03936	6.1
67.05508	97.1
69.03432	28.9
69.07073	24.7
69.91817	1.9
69.98969	7.3
71.01361	2.9
71.04993	11.0
71.08615	1.9
72.67712	1.8
73.02911	4.8
77.03892	1.9
79.05493	83.6
80.13335	2.0
81.03414	25.0
81.07062	93.0
83.05004	4.1
83.08615	12.9
85.02898	7.5
85.06548	4.0
89.54775	1.8
91.05485	53.5
92.58495	2.3
93.07047	100.0
95.04968	12.6
95.08610	80.1
97.02897	91.5
97.06503	5.7
97.10162	7.0
98.20833	3.5
99.04466	30.7
99.08081	2.6
99.30807	2.0
101.02283	2.7
103.05461	1.9
105.04521	2.8
105.07037	49.4
107.08601	50.2
109.02896	14.9
109.06494	7.8
109.10162	39.1
111.04436	4.7
111.08069	3.4
117.07024	17.2
119.08589	35.6
121.10145	51.5
123.08064	5.3
123.11726	13.7
127.03932	33.1
129.05457	2.5
129.06982	4.8
131.04987	3.3
131.08580	26.0
131.79269	2.0
133.10129	30.5
135.11708	29.9
135.22427	1.9
137.09618	3.7
137.13239	3.4
142.07808	2.2
143.08568	5.3
145.04984	6.4
145.06505	3.1
145.10115	25.5
147.08067	3.1
147.11705	20.9
149.13284	17.6
155.08514	2.9
157.06461	2.7
157.10127	4.7
159.07990	4.3
159.11722	21.1
161.09633	3.3
161.13239	15.6
163.11255	3.6
163.14827	6.8
170.24202	2.1
171.11725	6.2
173.09558	4.2
173.11890	3.3
173.13225	15.7
175.11200	3.9
175.14833	7.5
177.16333	2.1
179.14297	6.0
183.11679	3.7
185.13210	4.4
187.14821	7.8
189.16487	2.4
199.14754	3.4
201.16376	4.0
213.16385	2.2
215.17944	4.9
235.17126	2.2
241.19389	3.7
243.21098	7.9
255.21053	2.3
259.20569	12.3
261.22144	42.1
277.21750	2.3
311.66324	2.0
329.24908	3.8
331.25992	2.1
339.23068	3.4
357.24271	5.0
405.26843	3.5
423.27130	6.5
423.31732	3.5
423.36252	7.9
432.51425	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	423.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49766	0.8
53.03941	1.4
55.01878	2.7
55.05505	4.2
55.15346	1.1
55.39349	0.9
56.44664	0.9
57.03441	1.6
62.06384	0.8
67.05510	3.4
68.99789	1.1
69.03434	9.1
69.07068	8.2
70.06603	2.4
71.55115	0.9
72.08157	5.9
73.02922	2.5
77.59332	1.0
79.05504	4.0
81.03426	6.1
81.07060	6.7
83.04998	1.4
83.08613	2.2
84.04498	1.0
85.02898	7.7
85.06557	1.6
87.00828	5.2
87.04449	1.0
88.16725	0.9
89.06042	5.9
89.10812	1.4
91.05486	9.4
93.07056	5.9
95.04954	2.4
95.08613	7.0
96.08174	1.0
97.02899	8.5
97.06528	2.0
99.04468	3.1
105.01883	2.1
105.07030	13.8
107.04959	1.8
107.08596	6.4
109.02901	4.5
109.10142	4.5
110.59399	1.2
111.04449	2.8
115.03976	1.7
115.05418	1.2
117.06996	3.1
119.08588	54.0
120.08095	1.1
121.06550	1.9
121.10129	8.7
123.11769	1.4
127.03925	5.9
129.06953	1.6
131.08565	6.4
133.08604	3.2
133.10138	52.4
134.10905	3.6
135.11734	2.8
136.06187	1.8
137.05954	1.8
142.00348	1.0
143.08623	1.3
145.10132	10.4
147.08047	1.1
147.11700	15.6
155.08566	1.1
157.10184	3.2
158.10997	1.6
159.02913	1.7
159.08083	1.4
159.11705	4.0
160.12515	2.4
161.09595	2.1
161.13313	2.8
163.03922	1.2
163.07616	1.1
169.10204	1.1
171.11763	2.8
173.09692	1.3
173.13280	11.2
175.14836	100.0
176.15288	1.4
177.11241	1.3
177.16400	2.8
185.09576	1.5
185.13277	1.3
187.14822	4.5
189.16370	2.3
199.14867	2.0
201.04013	1.6
203.14305	1.8
205.15913	3.1
211.14760	1.3
215.14398	1.4
217.15953	1.7
231.05029	2.6
233.15462	1.1
250.95709	0.9
255.17520	2.0
283.16962	3.0
301.17978	2.9
319.19040	2.3
387.18008	2.0
405.19382	5.0
423.20151	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.3
55.01867	6.6
55.05513	30.6
57.03430	8.5
57.07072	8.1
61.02899	3.6
65.03941	5.8
67.05508	100.0
69.03426	18.3
69.07077	36.3
71.01308	4.1
71.04991	9.2
71.29378	3.9
72.08162	4.1
75.77610	3.5
78.08314	2.7
79.05499	45.6
81.03410	18.7
81.07060	77.9
83.04979	10.2
83.08618	19.1
85.02890	7.4
85.06544	9.0
91.05486	43.4
92.67764	2.8
93.07042	57.0
93.21387	2.6
93.83636	2.8
95.04986	13.8
95.08609	67.1
97.02886	6.1
97.06532	6.0
97.10184	5.4
99.04469	5.1
99.08125	3.1
105.07042	41.8
107.04969	5.0
107.08606	41.4
109.02885	5.9
109.06522	12.6
109.10161	66.1
111.04442	4.2
111.08086	7.4
115.05464	3.0
117.07011	17.7
119.08583	40.3
121.06483	8.0
121.10130	29.9
123.08080	26.3
123.11721	17.5
125.02419	4.8
125.09628	4.2
127.03954	5.1
129.05496	4.7
129.07004	11.3
131.08589	24.9
133.10152	34.4
135.08076	8.9
135.11693	23.8
137.09634	6.7
137.13269	5.1
139.11198	4.2
143.08565	9.8
145.10127	26.6
147.08083	6.3
147.11711	19.0
149.09669	5.9
149.13269	19.2
151.11211	3.5
155.08597	4.4
157.10103	8.7
159.08081	3.5
159.11691	20.3
161.09673	3.2
161.13251	8.6
163.14825	4.2
167.08507	3.5
169.10089	7.0
171.11719	11.0
173.11781	8.1
173.13316	15.4
175.14864	10.7
177.12726	3.5
179.14326	26.8
183.11667	6.6
185.13269	9.2
187.14885	5.8
189.16371	5.4
191.14392	3.4
191.17946	3.5
195.11783	3.6
195.13776	3.9
197.13312	5.2
199.14838	9.7
201.16466	6.9
203.14323	4.0
203.17944	6.0
211.14737	5.9
213.16364	4.0
238.76176	3.3
241.19518	5.6
243.20912	3.9
259.17102	3.2
259.20486	6.3
261.22153	10.9
273.22232	4.5
275.19791	3.5
289.21707	3.4
303.23242	11.5
303.26514	3.6
331.26263	15.0
333.17538	5.7
349.27451	7.5
351.23190	5.5
369.24319	13.5
387.25235	14.9
405.26285	13.3
423.27182	30.0
423.31277	31.1
423.36331	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	423.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.6
54.46164	2.9
55.01866	8.4
55.05503	12.5
57.03432	7.5
61.02919	9.2
67.05508	18.1
68.99788	8.9
69.03126	3.4
69.03439	32.7
69.07066	6.3
70.06585	7.7
71.04996	5.3
71.29189	5.2
71.29533	3.2
72.08153	21.4
73.02920	6.6
79.05500	17.7
81.03424	42.2
81.07053	31.5
83.04977	13.7
85.02908	39.9
85.06537	4.5
86.09703	6.7
87.00840	25.9
91.05495	29.7
93.07063	18.9
95.04976	10.8
95.08615	17.0
97.02895	23.8
97.06531	8.5
99.04454	11.8
103.03951	18.3
103.05413	4.4
104.98019	2.8
105.01868	11.4
105.07037	94.4
107.04933	5.8
107.08603	16.7
109.02883	13.0
109.06554	5.8
109.10165	4.9
111.04442	7.9
115.03902	7.9
117.07006	15.5
119.08596	50.1
120.08131	5.8
121.06499	5.3
121.10139	6.3
123.04430	5.9
125.06020	5.2
127.03919	13.3
128.06192	8.6
129.01843	6.0
129.07027	15.5
130.07843	3.5
131.08582	68.1
133.10143	25.8
135.04451	7.8
135.11649	3.7
136.06148	5.7
141.05397	3.5
141.06955	5.7
142.07794	11.2
143.08563	37.4
144.09343	7.5
145.04990	4.9
145.06421	3.1
145.10130	47.2
147.02844	5.0
147.11685	9.1
149.13232	3.2
153.05493	4.8
155.08563	33.2
156.09306	4.8
157.10150	28.2
158.10966	7.4
159.02916	8.4
159.08006	3.5
159.11707	73.3
161.13277	54.4
163.14856	8.2
163.94766	3.4
164.11766	4.6
165.07011	4.9
167.07108	3.9
167.08580	6.0
168.09399	4.7
169.10101	18.7
171.11729	17.0
173.09694	4.3
173.13289	99.5
175.07602	4.3
175.11191	3.5
175.14825	34.8
177.12784	3.1
179.07079	3.8
179.08524	6.0
181.10144	9.6
182.10916	6.7
183.11763	10.7
185.13257	52.0
187.14836	19.5
189.04041	14.4
193.10419	3.7
195.11711	11.2
197.13316	25.3
199.14847	35.2
207.11797	3.2
209.13263	10.2
211.14783	11.8
213.16399	4.4
215.14323	10.5
217.10098	4.1
217.15894	3.9
221.13387	3.2
223.07532	3.1
223.14853	5.5
227.14404	4.4
229.15871	8.9
237.16241	7.3
241.15590	5.3
247.14836	8.2
265.15875	11.1
283.16980	6.5
301.17978	6.0
319.18951	3.6
337.20187	4.7
405.19455	8.4
423.20148	100.0
423.25900	20.9
424.20227	5.4
435.87613	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
61.19519	0.4
67.05502	0.8
67.83727	0.4
69.03430	0.5
69.07051	0.4
70.06583	2.0
70.87834	0.9
72.08154	2.0
74.06080	0.9
83.06042	0.4
84.04510	1.5
84.08141	0.9
85.02913	0.8
86.09679	0.6
91.05469	0.5
95.04958	0.6
97.02913	0.9
98.06090	0.5
101.07076	0.4
110.07169	0.4
111.86914	0.3
116.07088	0.6
117.76978	0.4
119.04964	0.4
120.08102	1.2
123.04441	0.8
127.03989	0.7
130.06554	0.9
136.07607	0.6
136.51451	0.4
139.11215	0.5
140.07010	0.5
147.04420	0.9
172.04289	0.5
173.05821	0.5
178.05882	0.4
194.79675	0.4
203.77019	0.4
208.98204	0.4
237.56841	0.4
261.13107	11.2
277.12018	0.5
423.18393	100.0
424.18631	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	423.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26481	0.4
53.03955	0.6
55.05507	1.7
60.53043	0.4
65.03931	1.3
67.05175	0.5
67.05514	6.1
68.14774	0.5
69.03379	0.6
69.07075	3.4
71.05019	0.7
71.16187	0.4
71.55701	0.5
79.05503	3.9
81.03407	0.5
81.07060	6.8
82.04192	0.6
83.04974	0.5
83.08629	1.8
91.05489	4.0
93.03414	0.5
93.07057	3.3
95.04955	0.7
95.08617	5.9
97.02896	0.8
97.06560	0.5
105.07028	3.1
106.07387	0.5
107.04994	1.1
107.08614	5.0
109.06493	0.6
109.10162	6.3
110.03672	1.6
115.05468	0.9
117.07026	2.0
119.05011	0.5
119.08603	4.0
121.06528	1.0
121.10154	2.6
123.08096	0.6
123.11736	1.2
125.06001	1.6
128.06223	1.8
129.06982	1.3
131.08578	2.0
133.02861	1.2
133.06488	1.3
133.10144	2.5
134.10434	0.6
135.11690	2.3
138.03131	9.3
143.08568	1.6
145.06500	1.5
145.10202	2.4
147.04413	1.2
147.08066	2.1
147.11684	2.7
149.13251	2.3
151.03906	1.5
153.05482	100.0
154.05855	1.6
157.10141	1.3
159.08055	1.5
159.11703	2.0
161.13287	1.2
163.14853	1.0
165.05489	1.1
165.09087	0.6
167.06972	0.5
169.09998	0.7
171.08083	1.5
171.11696	0.7
173.05989	4.5
173.11832	0.8
173.13315	1.2
175.07594	2.8
175.14867	1.1
177.05534	0.7
179.07042	2.4
179.14255	0.6
181.06439	0.6
183.11809	0.5
185.13303	0.8
187.07523	3.0
187.14803	1.1
189.05486	0.7
189.09268	0.5
189.16331	0.7
191.10777	0.8
191.17964	0.6
199.07532	3.6
201.05519	1.7
201.16515	0.8
203.07040	6.5
203.18054	0.7
213.16484	0.7
215.07063	6.2
215.18002	0.7
217.15916	0.6
218.16182	0.6
219.06464	0.7
223.14832	0.6
227.07060	2.8
229.12331	1.4
239.10616	0.9
255.20932	0.6
257.11758	26.2
258.12073	1.1
259.12210	0.8
271.13239	1.3
331.26334	0.7
339.12366	0.5
367.11795	32.2
368.12033	1.0
405.35623	0.7
423.18002	2.1
423.26889	1.7
423.31528	0.9
423.36923	4.1
431.39142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.01853	0.8
56.84349	0.6
57.02441	0.6
57.03425	0.8
58.99334	0.7
58.99587	8.7
60.76576	0.7
61.02935	0.8
66.14525	0.8
67.05508	8.0
69.03429	3.7
69.07071	17.5
71.04984	0.7
71.47697	1.2
73.02901	0.8
76.02224	3.2
81.03400	2.3
84.04459	0.6
84.08120	0.8
85.02913	8.4
93.07026	1.6
95.04950	2.0
97.02888	5.0
98.97574	2.1
99.02672	2.3
99.04447	1.2
101.04250	49.4
103.03959	0.7
109.02882	1.8
110.06021	0.7
112.07625	1.8
122.02696	1.0
127.02145	7.1
127.03896	2.1
127.05764	3.0
129.03717	2.8
136.07552	0.8
138.05498	1.2
140.07083	7.7
145.04980	1.2
154.08667	1.3
155.01610	1.6
158.99699	1.1
162.49309	0.7
170.06371	2.9
172.04283	100.0
173.04666	0.9
175.04271	0.8
180.04820	2.2
182.08142	3.1
197.07504	2.6
198.05859	5.1
214.05328	10.8
215.08415	3.9
244.06400	7.6
248.09248	0.8
257.09555	0.7
261.09085	16.2
284.11435	0.8
286.07574	1.4
303.10095	1.6
334.09921	0.8
339.10172	1.0
360.11246	1.1
377.13797	8.3
423.14371	56.6
424.14780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	9.3
58.45079	2.7
58.99585	5.2
67.05508	11.7
69.03439	8.5
69.07066	32.3
70.06590	4.3
70.25665	11.6
72.08149	9.5
76.02199	2.9
81.03412	4.8
84.08134	4.7
85.02914	20.9
97.02897	10.7
98.97598	25.9
99.02670	5.9
101.00892	12.0
101.04259	28.9
109.02835	3.2
110.97588	5.6
112.07623	5.0
113.00873	8.7
115.02430	4.2
116.98616	12.3
119.01941	17.1
127.02190	13.9
127.03918	4.1
127.65463	2.8
128.98579	5.6
129.03918	6.6
131.01910	28.4
133.03462	13.2
140.07104	16.4
143.00124	3.5
143.01874	17.1
145.03494	43.5
147.05016	4.3
155.01909	28.1
156.02676	5.7
157.03482	24.1
158.99707	6.1
159.05034	4.6
161.02939	18.8
161.06555	12.3
167.01897	5.4
169.03465	27.2
171.01135	6.8
171.05011	13.6
172.04272	59.9
173.02971	34.6
175.04506	10.3
177.00754	6.2
181.03476	6.6
182.08113	6.6
183.05020	6.6
185.02943	15.7
185.06648	6.6
187.04497	31.3
189.06076	6.5
197.02992	11.3
197.06551	3.4
198.05861	6.8
199.04579	8.2
201.06113	5.4
203.04068	15.7
203.07622	8.1
207.05066	6.5
209.03008	5.8
211.04597	7.0
213.06056	3.0
214.05328	6.9
215.05907	3.5
215.07700	6.9
219.01807	8.7
221.05032	40.0
223.04536	6.1
225.06151	4.4
227.04054	4.2
229.05586	4.7
235.06705	3.2
237.02820	9.9
244.04140	4.8
244.06409	16.0
245.05089	59.4
246.08147	3.1
255.07300	4.2
257.05057	47.3
259.06659	24.1
261.08987	23.5
263.06140	7.0
271.06601	30.7
273.08246	27.3
275.15457	2.8
289.07889	3.5
291.09216	4.2
293.10986	3.2
303.09454	8.6
305.07468	5.7
305.10751	23.3
310.37503	3.3
323.12003	6.9
333.10013	5.0
335.10309	4.1
350.05630	3.4
363.11450	44.9
377.13953	5.6
381.12537	74.7
382.12756	4.7
405.17166	3.3
423.07877	4.7
423.13861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1435
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
52.25068	0.6
55.01831	0.7
57.03420	0.8
58.99594	7.2
61.01126	0.7
61.02890	0.8
67.05506	6.5
69.03441	5.0
69.07075	17.9
70.71943	1.7
76.02215	2.5
81.03413	2.3
85.02916	9.6
88.03971	1.1
95.04968	2.3
97.02882	3.7
99.02705	1.7
99.04505	1.1
101.04255	44.9
109.02868	2.0
110.06046	1.4
112.07607	2.6
122.02741	1.0
127.02157	5.7
127.03886	2.2
127.05780	2.3
129.03705	2.7
129.10277	0.6
136.07573	0.8
138.05531	1.1
138.20988	0.7
140.07072	9.5
145.04893	0.6
155.01649	1.6
166.58376	0.6
170.06389	2.1
172.04288	100.0
173.04668	0.8
180.04817	1.2
182.08167	3.3
197.07484	4.4
198.05856	4.9
206.08228	1.0
214.05365	10.2
215.08505	6.2
238.05380	0.8
244.06403	10.1
257.09650	1.0
261.09085	19.7
286.07492	1.9
303.10123	2.7
313.92416	0.6
323.22409	0.6
334.09628	5.2
339.10330	1.2
350.32053	0.7
359.12848	0.8
377.13852	9.0
423.14371	55.6
424.14709	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.0
53.77234	3.7
55.01882	7.7
55.05496	9.3
57.03458	9.2
57.07066	4.5
67.05518	25.3
68.05041	5.9
69.03429	17.9
69.07070	19.6
69.48242	32.0
70.06593	46.9
71.04999	18.5
72.08164	33.8
77.19424	4.0
79.05500	12.3
81.03421	12.3
81.07060	42.6
81.70832	3.7
83.04983	17.4
83.08613	5.5
84.04523	20.0
84.08150	31.5
85.02915	38.0
85.06556	9.6
85.33209	4.6
86.09720	23.7
88.03988	5.9
91.05497	19.1
93.07051	26.0
95.04961	14.3
95.08609	29.5
97.02910	20.0
97.06518	24.0
98.06068	9.7
99.04462	75.3
99.08106	14.1
105.07030	15.0
107.04963	7.5
107.08586	28.3
109.02884	9.2
109.06527	16.6
109.10149	41.7
110.07213	9.0
111.04423	5.3
113.06030	4.1
115.03954	7.2
116.07101	5.6
117.07001	6.7
119.04942	5.9
119.08572	25.2
120.08106	9.6
121.10153	43.6
123.04432	6.0
123.08079	31.7
123.11742	12.1
124.04002	5.5
125.09641	5.9
126.05510	5.8
127.03920	15.9
127.07572	10.9
127.11176	6.0
128.07040	4.9
129.10225	5.5
130.05023	7.9
135.04446	5.0
135.08049	5.1
135.11736	13.4
136.07576	8.9
137.02426	5.4
137.05991	11.3
137.09586	23.1
137.13264	8.9
141.09090	6.2
145.04959	10.4
145.10184	9.6
147.04414	17.6
147.08075	5.9
147.11699	13.1
149.09642	25.0
151.07497	6.4
151.11195	11.5
159.04417	7.1
161.13292	13.9
163.11206	19.1
165.12770	13.8
167.07088	4.7
167.10661	6.7
169.08627	7.5
171.11665	4.2
174.09081	6.1
177.03279	9.5
179.14339	9.8
181.12245	30.5
183.13872	6.6
189.12729	25.5
190.08902	6.0
192.86642	4.4
207.13802	48.0
218.08170	10.2
225.14897	100.0
227.11806	5.2
240.08849	4.4
241.09706	5.5
242.08127	5.7
243.15959	16.5
246.07545	5.5
255.11343	18.3
258.07947	5.1
260.09177	14.5
283.10776	7.9
296.14981	6.4
301.11850	17.0
312.67191	4.4
314.16006	5.6
332.17038	9.6
378.08133	7.9
422.05945	12.1
422.23120	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	422.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.0
57.03436	4.4
58.57903	2.0
58.99590	17.5
67.05511	4.8
69.03426	4.2
69.07075	7.3
69.62079	11.9
70.06594	17.2
72.08158	5.6
74.00658	3.8
76.02232	89.1
76.03999	4.9
79.05493	9.5
82.06561	3.4
82.71078	2.6
83.06103	3.5
84.04510	33.9
84.08134	6.1
85.02906	6.9
85.04029	5.6
86.99031	4.0
92.01719	4.2
93.07024	3.1
96.04519	2.2
97.02882	5.4
97.06538	100.0
98.06914	3.2
101.07171	2.4
112.07608	2.8
116.01679	19.3
116.07115	16.8
124.03946	4.0
127.03942	12.4
128.04256	4.1
130.05019	22.5
131.04530	3.9
142.03229	10.6
144.01167	13.8
154.06859	6.4
162.02223	41.7
167.11931	2.1
170.02657	5.0
172.07962	5.0
177.03328	16.4
179.04861	85.3
187.05365	2.9
188.85745	2.4
209.03395	2.3
215.04723	2.5
233.05952	17.2
245.05899	6.9
257.09610	7.9
275.10767	4.9
308.09122	36.9
404.14816	2.9
422.14331	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	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01855	6.4
53.03004	5.8
55.01871	8.2
55.05507	13.6
67.05508	12.1
68.19673	8.0
69.03426	14.2
70.06602	49.0
70.88353	19.9
71.04983	7.1
72.08157	16.4
79.05496	11.2
81.03394	10.4
81.07069	46.0
83.04984	9.6
84.08150	14.1
85.02911	16.7
86.09700	15.3
88.51435	6.8
91.05477	12.9
93.07051	8.8
95.04976	89.8
95.08594	19.2
97.02894	16.4
97.06534	12.8
99.04452	55.3
99.08092	9.9
105.07032	12.5
107.08585	13.1
109.06468	10.7
109.10140	30.6
110.07131	7.0
116.68365	6.8
119.08598	10.0
121.10124	30.6
123.08069	25.3
123.92180	7.1
127.04019	7.3
127.07545	8.9
133.00587	8.5
133.06438	8.5
133.10104	16.8
135.04402	8.1
137.09569	16.3
137.13242	7.6
147.04434	10.0
147.11694	13.3
149.09618	17.9
151.07524	11.4
151.11119	7.6
152.08324	8.3
153.09102	36.9
161.13252	19.7
163.11131	17.8
163.49518	8.0
165.12720	7.5
167.07095	9.3
177.09050	8.7
177.82007	6.4
179.14230	7.3
181.12189	22.0
189.12784	21.7
195.10121	16.2
196.65329	7.4
207.13907	40.2
225.14888	100.0
286.02234	9.5
327.12329	8.4
341.71445	7.2
358.16571	19.3
398.82080	7.2
404.17212	16.4
422.18005	13.8
446.32559	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	422.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.1
57.85550	7.0
69.03413	11.6
69.07065	13.3
70.06580	21.6
71.28957	15.3
79.05501	11.9
81.07059	48.7
85.02901	24.1
85.06530	7.7
89.55574	6.4
93.07043	9.1
95.04970	21.5
95.08617	26.2
97.02920	8.2
97.27431	7.5
99.04452	29.1
99.08096	9.2
105.07036	14.5
107.08611	15.9
109.03910	8.9
109.06528	22.6
109.10178	15.8
111.06252	7.1
111.52901	7.5
119.08575	14.4
120.08105	9.3
121.06519	8.2
121.10152	25.8
123.04460	8.1
123.08067	28.1
133.06421	10.2
135.11681	10.4
137.09604	23.9
147.11737	12.9
149.09627	100.0
161.13249	20.9
163.11209	12.5
165.12709	16.0
167.07114	11.6
179.14320	12.6
181.12253	35.0
183.06508	10.2
187.92490	8.0
189.12779	27.0
195.10129	12.2
207.13872	63.8
225.14853	90.5
243.15947	12.0
358.16586	19.1
404.16824	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	421.3677
Annotation	3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane
Peak:m/z	Relative Intensity
50.69576	1.7
55.05268	2.5
55.05518	42.9
56.99264	1.6
57.03442	2.7
57.06821	3.4
57.07082	38.5
64.96103	1.9
67.05509	13.3
69.07076	48.8
69.55168	13.9
71.08642	26.0
79.05493	8.5
81.07062	28.3
83.04988	58.1
83.08624	27.0
85.06568	2.2
85.10202	15.2
89.06015	2.4
91.05486	9.5
93.07065	15.8
95.05020	2.4
95.08047	3.4
95.08618	37.5
96.69649	1.9
97.10188	15.9
97.54301	2.1
99.11773	1.7
105.07058	11.6
107.08597	14.8
109.06512	10.6
109.10159	18.7
111.08104	7.2
111.11746	8.0
119.08604	14.4
121.06541	3.0
121.10152	8.4
122.74709	1.9
123.04478	2.1
123.08080	15.9
123.11703	8.1
125.09631	2.1
133.10153	8.6
135.08090	13.3
135.11705	6.4
137.05980	33.3
137.09579	4.2
137.13255	2.6
139.07568	12.4
141.03442	1.9
143.08566	3.0
145.10159	2.4
147.07961	1.9
147.11700	8.4
147.96118	1.7
149.09671	4.8
149.13275	4.5
151.07581	8.4
151.11195	6.8
151.14836	3.0
155.07045	7.3
159.11797	2.3
160.09006	2.4
161.09639	28.8
161.13260	8.8
163.14816	2.1
165.09146	2.8
165.12794	5.7
171.11746	3.7
173.13284	3.2
175.11208	14.3
177.12733	4.5
179.10677	4.5
179.14290	3.7
189.12727	18.4
191.14275	3.4
193.12318	2.3
203.14362	5.1
207.13866	6.8
221.15454	2.0
236.63010	1.9
255.93806	1.8
259.20465	2.6
263.20261	2.2
273.71588	2.0
295.71991	1.9
357.35092	3.1
375.36273	41.2
385.34708	18.9
403.35751	87.5
404.36072	3.3
421.36807	100.0
422.37109	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3678
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03942	1.9
55.05516	21.9
57.07082	25.4
67.05515	9.2
69.03442	1.7
69.06719	3.0
69.07078	39.6
71.08636	16.5
71.56005	1.4
71.56410	2.2
79.05497	5.7
81.07066	21.8
83.01350	11.2
83.05012	2.7
83.08626	24.4
85.02919	4.6
85.10214	8.2
89.06049	2.5
91.05492	2.4
93.07046	8.8
95.08619	21.0
97.06541	5.2
97.10164	15.6
97.18144	1.3
99.04491	1.8
105.07030	6.4
107.08622	8.4
109.06551	12.1
109.10162	13.5
111.08102	5.0
111.11751	6.6
113.06014	2.3
119.08582	7.2
121.06545	2.4
121.10160	5.3
122.07143	1.6
123.08068	12.1
123.11693	8.3
125.05999	13.1
125.09668	2.5
125.13270	3.2
127.07601	2.3
131.08585	2.0
133.08604	2.3
133.10150	4.9
135.08046	2.5
135.11731	3.6
137.05972	11.4
137.09663	7.0
137.13196	2.3
139.07562	33.3
145.10147	2.0
147.11696	6.4
149.09625	4.3
151.07561	12.0
151.11214	5.0
153.09114	3.8
153.87753	1.7
155.07074	6.3
159.11763	3.0
161.13280	4.9
163.11166	2.0
163.14825	2.5
165.09178	6.4
165.12799	3.4
165.16321	1.7
167.10725	2.7
173.13448	1.5
175.11234	1.7
175.14796	1.6
177.12794	2.0
179.10735	5.2
179.14325	2.2
181.12318	5.4
189.12857	1.9
193.12364	5.4
195.13802	9.5
198.63696	1.6
203.17827	1.5
207.13799	8.0
207.17035	1.7
209.15343	3.0
221.15430	3.6
235.17131	2.4
249.18648	1.8
265.21774	2.7
277.21802	3.0
321.27884	2.1
333.28064	1.9
347.33270	3.4
375.36356	6.6
385.34772	3.1
403.35733	100.0
404.36276	2.7
421.36819	96.4
422.37247	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	421.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
54.88866	1.0
55.01874	1.6
55.05515	32.9
57.03442	3.4
57.07081	27.7
67.05507	10.3
67.44235	1.0
69.03455	2.8
69.07076	36.5
71.08636	14.5
71.20490	1.8
74.42570	0.9
79.05508	5.9
81.07069	19.7
83.04989	44.7
83.08625	19.6
85.10196	7.8
88.49287	1.0
89.06071	1.2
91.05469	6.0
92.13775	1.1
93.07056	11.4
95.04986	3.3
95.08613	24.0
97.06548	1.9
97.10172	12.2
99.04497	1.3
102.47468	1.0
105.07024	7.4
107.08614	10.0
109.06551	8.1
109.10172	13.3
111.08094	6.7
111.11739	7.1
112.78173	1.2
117.07047	1.6
119.08584	8.8
121.06535	2.7
121.10150	7.1
123.04457	1.3
123.08084	9.4
123.11707	5.5
125.09631	2.2
127.07623	2.0
131.08600	1.9
133.10147	9.6
135.08055	7.5
135.11714	4.0
137.06001	25.3
137.09653	4.7
137.13283	3.7
139.07538	9.6
143.08554	1.9
145.10165	2.6
147.08064	2.1
147.11728	5.6
149.09665	3.5
149.13283	2.7
151.07555	5.9
151.11223	4.5
151.14825	1.7
153.09155	1.1
155.07028	9.3
155.08176	1.2
157.10179	1.2
159.11766	2.7
161.09634	15.3
161.13266	5.4
163.11177	1.9
163.14894	1.7
165.09189	2.4
165.12846	4.8
169.08638	1.2
171.11748	2.2
174.10449	1.4
175.11229	7.7
175.14815	2.4
177.12769	3.0
179.10760	4.4
179.14342	2.6
187.14851	1.1
189.12753	11.1
189.16507	1.5
191.14468	1.5
192.05011	1.1
193.12392	5.3
193.15982	1.8
203.14398	2.2
205.15981	1.2
207.13937	3.9
217.15833	1.3
221.15521	1.6
242.35538	1.1
277.21793	1.6
347.29819	2.1
357.35303	2.0
367.33627	1.5
375.36200	21.4
385.34683	12.8
403.35730	50.7
404.36282	1.3
421.36865	100.0
422.37308	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	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
51.32422	1.7
51.99414	1.8
53.03942	2.5
55.05260	2.9
55.05513	38.9
57.03436	3.0
57.06823	2.7
57.07076	32.8
59.06108	2.4
67.05508	16.5
69.06721	3.5
69.07072	46.2
71.08633	20.4
71.44082	2.5
74.14066	2.4
79.05499	7.5
81.03087	2.1
81.07061	26.1
83.04987	52.2
83.08620	22.9
85.10184	11.5
87.87173	1.6
89.06062	2.2
91.05487	7.0
93.07043	19.8
93.63945	1.7
95.04958	2.7
95.08615	36.4
97.10175	14.1
99.44891	1.6
100.27235	1.8
103.34689	1.7
105.07022	11.7
107.08582	14.3
109.06532	8.0
109.10167	13.8
110.07143	2.1
111.08089	7.8
111.11723	5.2
112.08777	2.5
119.08601	13.1
121.06508	6.6
121.10155	8.9
123.08101	11.6
123.11755	4.7
131.08591	2.6
133.06564	2.3
133.10138	9.2
135.08083	7.3
135.11679	2.9
137.05988	25.7
137.09627	5.6
137.36836	1.9
139.07565	8.6
141.05473	1.9
143.63139	1.9
143.70949	1.8
147.11702	5.2
149.09648	4.4
149.13271	2.3
151.07576	9.5
151.11176	4.9
153.09067	2.5
155.07033	7.5
160.08897	1.8
161.09618	19.3
161.13289	4.9
163.14772	1.8
165.09076	3.8
165.12798	6.8
174.10484	2.4
175.11174	10.7
175.14803	2.3
177.12778	3.6
179.10675	3.8
189.12794	9.0
193.12257	4.0
207.13843	4.1
263.20123	2.1
375.36197	25.7
385.34601	13.6
403.35739	48.7
404.36209	3.4
421.36823	100.0
422.37778	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3675
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
51.36111	0.6
53.03937	1.7
55.01863	2.2
55.05515	8.7
57.07072	4.7
65.80851	0.6
67.05140	0.4
67.05501	11.1
69.06728	1.1
69.07072	12.4
71.05495	0.9
71.05823	0.6
71.08652	3.6
79.05485	1.4
81.07057	2.7
83.08625	8.3
83.19839	0.6
85.10197	1.4
91.05477	6.6
93.07044	34.5
95.04980	1.7
95.08609	20.3
97.06534	1.1
97.10186	4.7
105.04517	0.9
105.07005	1.0
107.08592	3.8
109.10173	2.1
111.08086	18.2
111.11716	1.7
112.08369	0.6
114.74453	0.7
115.73901	0.5
121.06511	2.9
121.10143	1.0
123.08051	1.0
125.09639	1.9
125.13261	0.7
127.07558	4.0
135.08099	1.3
135.11711	0.8
137.09631	1.0
139.07545	22.2
139.08630	1.1
149.09636	1.0
151.11163	0.8
153.09114	11.5
157.08615	2.1
167.10677	7.3
179.10701	1.2
181.12218	6.3
189.12732	0.7
193.12254	1.0
194.90715	0.7
195.13811	5.4
207.13844	2.2
209.15347	3.5
218.57677	0.6
221.15340	1.5
223.16978	1.8
235.17160	1.0
237.18523	1.1
251.20213	1.6
263.20108	0.8
265.21674	2.6
277.21609	1.6
279.23306	0.7
291.34662	0.6
293.24741	1.0
295.17279	0.6
321.27795	1.2
335.29541	1.0
403.35739	27.0
403.41125	1.5
404.35959	0.7
421.36768	100.0
422.37140	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	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
55.05519	24.0
57.03440	2.1
57.07086	21.7
59.04612	1.4
64.76456	1.8
67.05519	9.4
69.06726	2.3
69.07074	39.3
69.87375	8.2
71.08640	16.8
77.14240	1.4
79.05500	5.2
81.07063	19.7
83.01334	2.3
83.04984	33.3
83.08622	22.8
85.02912	1.9
85.10184	9.2
91.05489	5.2
93.07052	9.6
95.05023	2.5
95.08617	23.9
97.06536	1.9
97.10183	13.6
98.21439	2.4
105.07020	8.2
107.08610	11.7
109.06519	9.1
109.10169	15.3
110.47545	1.4
111.08109	5.3
111.11731	6.8
119.08600	8.1
121.06527	2.1
121.10165	9.1
123.08096	10.3
123.11712	6.2
125.05997	6.1
125.09585	2.0
125.13313	2.9
131.08498	2.3
133.10146	8.0
135.08041	7.5
135.11726	4.3
135.90678	1.5
137.05974	21.9
137.09656	4.9
137.13268	4.1
139.07556	18.0
143.08643	2.1
145.10149	3.2
147.11708	7.6
149.09656	3.9
149.13298	3.5
151.07535	9.1
151.11246	5.9
151.14725	1.6
153.09157	1.9
155.07062	4.6
159.11690	4.4
161.09625	20.0
161.13271	8.4
163.11249	1.7
163.14781	2.2
165.09134	3.2
165.12788	4.1
175.11174	13.7
177.12819	3.1
179.10724	4.9
179.14333	3.4
181.12225	3.3
185.13297	2.4
189.12700	9.9
193.12273	5.4
195.13797	3.9
207.13846	5.8
221.15450	2.4
221.19208	1.7
263.19986	1.8
265.21735	2.5
269.22849	1.6
275.27524	1.9
277.21768	2.3
305.24921	1.9
326.89709	1.6
347.29453	1.9
357.35315	3.6
367.84317	1.5
375.36203	27.7
385.34583	14.3
403.35754	89.6
404.36209	2.8
421.36810	100.0
422.37082	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64423	0.4
52.43633	0.4
53.03937	1.8
55.01869	2.1
55.05272	0.5
55.05517	8.7
57.03435	0.8
57.07083	4.9
65.03934	0.8
67.05172	0.7
67.05508	12.5
69.07075	14.3
70.69815	0.8
70.70170	1.0
71.08641	3.1
79.05492	1.6
81.07069	3.1
83.04994	0.9
83.08627	7.9
84.52741	0.4
85.10196	1.9
91.05482	7.2
93.07050	37.9
94.07382	0.5
95.04955	2.5
95.08611	24.6
97.06538	1.7
97.10171	4.5
105.07033	1.3
107.08595	4.7
109.06512	0.6
109.10152	2.9
111.08089	22.5
111.11710	1.4
119.08608	0.7
121.06516	3.5
121.10140	1.8
123.08102	1.3
123.11713	0.7
125.09630	2.0
125.13328	0.8
127.07560	4.3
133.10124	0.7
135.08081	0.9
137.09669	1.0
137.32887	0.4
139.07549	18.5
149.09619	0.6
151.11211	1.5
153.09119	12.2
157.08617	1.3
165.09123	0.7
165.12811	0.6
167.10687	8.7
175.14862	0.5
179.10692	0.7
181.12260	7.2
181.72365	0.4
193.12277	1.4
195.13840	5.5
207.13802	2.2
209.15405	3.0
221.15428	1.2
223.16911	1.6
223.45897	0.5
237.18495	1.5
251.20049	1.5
265.21573	2.4
277.21640	1.2
279.23334	0.6
291.23096	0.5
293.24738	0.9
307.26028	0.5
347.29507	0.7
353.25885	0.4
403.35733	23.5
404.35999	1.4
421.36792	100.0
422.37106	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	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.05515	21.9
57.06853	1.2
57.07076	12.3
57.94448	1.4
58.26397	1.3
67.05505	19.1
69.07070	40.9
71.08621	1.8
73.51669	1.3
78.48833	1.2
79.05474	8.0
81.07056	24.7
83.08621	27.8
91.05493	7.8
93.07034	12.9
95.08613	28.6
97.10174	6.3
98.21609	2.4
104.04601	1.3
104.47378	1.3
105.07035	18.6
107.08600	19.5
109.06543	1.3
109.10162	36.0
111.08055	2.6
111.11707	4.2
117.06995	2.3
119.08594	22.2
121.10164	14.7
123.08089	1.6
123.11708	8.4
129.07014	3.4
131.08563	13.1
133.10126	18.1
135.08067	1.8
135.11684	7.4
137.13274	4.4
142.07803	3.5
143.08578	11.5
145.10127	14.6
147.11678	9.3
149.09613	1.6
149.13254	5.5
151.14851	1.4
153.06927	1.5
155.08553	6.1
156.09355	2.8
157.10162	17.9
158.10945	2.0
158.93732	1.4
159.11719	17.2
161.13271	12.7
163.14893	1.8
165.07005	1.8
165.12833	1.6
167.08490	1.9
168.09377	2.9
169.10109	12.8
170.10989	2.2
171.11694	15.3
173.13268	15.6
175.14844	7.5
179.08598	2.3
181.10115	6.7
182.10878	3.1
183.11716	17.1
184.12476	1.9
185.13271	12.9
187.14822	10.6
189.12729	1.6
189.16454	5.3
191.14316	4.2
191.17941	2.0
193.10182	4.1
194.10899	2.4
195.11682	14.6
197.13287	18.1
198.13959	2.5
199.14815	10.7
201.16391	6.2
203.14339	3.2
203.17909	2.5
205.15962	4.3
207.11690	2.6
209.13263	13.6
210.14131	1.4
211.14854	8.3
213.16400	5.1
215.17996	5.2
216.65234	1.5
217.15923	4.7
217.19554	5.5
221.13275	5.6
223.14754	10.7
224.15533	2.7
225.16338	7.2
227.17998	3.9
229.19495	2.9
231.17409	1.6
235.14940	3.3
236.15558	2.3
237.16441	5.7
239.17982	3.7
243.17451	8.9
243.21143	4.3
249.16478	3.1
251.17937	8.3
253.19469	3.0
255.21207	2.2
257.19159	1.6
263.17957	2.0
265.19400	6.7
267.21075	4.4
269.19031	4.2
271.20627	3.0
277.19556	4.1
279.21176	1.5
281.22726	2.9
283.20517	4.5
285.22202	1.6
291.21011	3.5
293.22662	3.3
295.20596	6.2
295.23984	2.8
305.22705	1.8
307.24240	3.0
309.22159	21.5
309.25739	6.8
309.45215	1.4
319.24146	2.8
321.25919	2.3
323.23709	1.8
333.25803	3.9
335.27374	7.5
337.25262	3.3
347.27332	2.8
361.28842	1.6
365.28366	2.5
379.29791	1.8
403.33539	29.5
421.34659	100.0
422.34738	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
54.70758	1.9
55.01870	8.3
55.05517	21.3
56.81124	2.5
57.03439	10.1
57.07081	10.8
65.03933	3.0
67.05511	35.1
69.03432	4.8
69.07071	34.1
71.04989	4.6
71.08620	3.8
71.55344	1.7
71.55779	2.4
79.05495	28.3
81.03429	3.9
81.06579	3.0
81.07062	52.1
83.04981	7.2
83.08608	12.6
85.02934	2.1
85.06548	9.6
91.05500	17.2
93.07047	46.6
95.04982	5.5
95.08615	42.1
97.06548	16.1
97.10159	5.2
99.08095	3.0
105.07051	24.3
107.04917	1.9
107.08595	36.7
109.06525	21.6
109.10165	23.1
111.04453	6.8
111.08054	7.5
111.11767	1.9
117.07006	5.4
118.14091	2.1
119.04944	1.8
119.08588	20.0
121.10162	21.8
123.08060	12.9
123.11706	9.5
125.05980	6.8
125.09624	3.9
128.06267	2.9
129.07014	3.3
131.08571	11.1
133.10133	16.6
135.08058	25.5
135.11690	19.5
137.05963	19.6
137.09624	2.5
137.13297	3.0
142.07806	4.0
143.08534	4.5
145.10170	14.9
147.08057	2.2
147.11697	11.1
149.09625	6.5
149.13249	7.4
151.07512	9.3
151.11171	3.1
153.12798	3.6
157.10161	7.1
159.11696	11.9
161.09636	4.3
161.13290	9.3
163.11220	4.3
163.14807	4.2
165.12732	4.7
167.14339	3.6
169.10159	4.9
171.11668	6.7
173.13295	7.4
175.11194	3.1
175.14821	5.7
177.12775	7.7
177.16429	2.8
179.10768	2.2
179.14296	6.0
181.12283	8.2
183.11752	3.4
185.13255	3.5
187.14876	4.2
189.16354	3.0
191.14368	2.9
193.10371	1.8
193.12244	3.6
195.13861	3.1
197.13257	3.9
199.14842	5.1
201.16441	4.5
203.17969	3.2
213.16348	4.8
219.17339	2.7
221.19083	6.2
231.17514	2.4
235.20587	4.3
249.18439	3.0
255.72287	2.4
259.20673	3.3
263.20035	4.2
277.21564	2.5
287.23907	3.2
305.24762	78.0
319.26379	25.8
329.21173	4.1
329.24924	6.0
347.25803	100.0
358.97751	2.6
365.26904	8.2
393.29880	7.8
395.12930	2.3
403.24271	3.0
403.28824	2.9
403.33469	3.2
421.29379	54.0
421.34741	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	421.2583
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
52.85466	3.3
53.03938	9.0
55.01869	7.0
55.05520	31.5
57.03442	5.5
57.07075	6.8
65.03928	6.6
67.05508	100.0
69.03430	22.5
69.07069	30.7
71.04998	9.7
71.55650	4.4
79.05500	64.1
81.03419	24.2
81.07062	66.4
83.04979	13.1
83.08636	23.3
85.02885	7.3
85.06564	7.5
91.05492	82.8
93.07047	68.7
95.04958	26.2
95.08054	5.6
95.08611	58.7
97.02891	27.6
97.06515	8.1
97.10182	11.2
99.04469	9.6
105.07036	78.2
107.04942	13.8
107.08606	55.6
109.02885	6.5
109.06516	14.2
109.10168	65.1
110.52691	3.4
111.08081	10.1
117.07014	24.0
119.08582	63.4
121.06502	7.9
121.10146	35.6
123.04465	3.5
123.08110	4.2
123.11710	14.5
127.03941	17.9
128.06262	5.2
129.06984	19.7
129.49579	3.8
131.08557	46.4
133.06490	7.1
133.10138	55.9
135.08055	4.6
135.11729	25.6
137.09572	4.9
137.13336	3.9
137.14780	3.8
142.07822	6.1
143.08563	23.1
144.98907	3.8
145.06566	7.6
145.10130	28.4
147.08046	8.8
147.11726	41.3
149.09654	10.2
149.13271	17.5
155.08569	10.1
157.10110	18.5
159.08083	4.9
159.11710	24.2
161.09573	5.5
161.13269	16.0
163.11241	8.3
163.14850	5.0
165.12715	4.4
169.10130	9.5
171.04398	6.4
171.11670	21.7
173.09586	7.3
173.11859	7.5
173.13275	17.5
175.11201	10.3
175.14902	9.8
181.10252	4.0
183.11650	10.7
185.13300	16.2
187.14816	12.8
189.12784	4.0
189.16373	10.4
193.10133	5.0
193.12164	6.9
197.13280	8.5
199.14818	8.7
201.16379	8.5
203.10805	4.6
209.13362	4.5
211.14920	7.1
213.16327	9.8
217.15898	13.0
219.17671	4.5
225.16454	4.8
227.17992	7.7
241.19508	11.7
243.06566	4.5
257.11774	4.4
257.19086	7.4
259.20584	36.2
269.22662	5.1
275.20200	4.7
277.21622	12.0
301.21750	7.0
324.53403	3.7
328.99875	4.5
329.21027	19.4
355.22470	4.5
367.22839	9.7
385.23798	10.9
392.29425	4.1
403.24832	24.3
403.33792	5.3
421.25925	51.1
421.34656	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01880	7.4
55.05515	16.9
57.03440	10.6
57.07081	40.8
59.04998	3.1
65.03952	2.8
67.05171	2.5
67.05509	29.9
69.03434	4.9
69.07072	22.3
69.84525	10.0
71.04968	3.3
72.08160	1.9
74.77534	1.5
79.05487	20.9
81.03406	5.1
81.07065	42.4
83.04990	6.7
83.08617	10.0
85.06552	16.8
91.05477	18.4
93.07050	30.3
95.04986	9.7
95.08612	32.4
97.02884	2.6
97.06545	8.0
97.10173	7.6
98.20827	3.2
105.07040	24.9
107.08598	31.6
109.06529	20.6
109.10172	25.3
111.04482	3.6
111.08080	6.6
117.06989	9.0
119.08596	22.7
121.06514	4.1
121.10157	17.5
123.08083	14.9
123.11710	7.6
125.06022	2.8
125.09629	3.0
128.06110	2.2
129.07008	6.6
131.08601	9.7
133.10139	18.8
135.08051	22.0
135.11699	11.7
135.12572	1.9
137.05986	25.5
137.09624	3.7
137.13287	2.4
139.07533	4.0
141.50023	1.7
142.07811	2.0
143.08575	7.4
145.10124	17.9
147.08063	2.9
147.11688	11.8
149.02394	3.0
149.09633	6.4
149.13272	7.4
151.07526	9.9
151.11217	4.7
155.08560	2.6
156.09338	2.1
157.10123	10.2
158.10886	2.9
159.11726	12.7
161.09657	5.0
161.13269	6.8
165.12782	11.7
169.10194	4.6
171.11728	8.2
173.13272	7.4
175.11201	2.4
175.14818	5.2
177.12778	10.4
179.10620	2.5
179.14305	5.8
181.10046	1.9
183.11768	4.9
185.13289	7.6
187.14873	5.5
189.12776	2.4
189.16367	2.5
191.14311	2.7
193.05064	3.0
193.12299	5.3
195.11700	1.9
197.13362	5.1
199.14848	5.9
201.16403	6.3
207.11932	2.1
207.13829	7.2
211.14873	3.8
213.16429	6.1
223.14793	3.4
225.16422	2.7
227.17972	3.6
233.19011	4.4
237.16426	2.5
250.52344	1.8
256.26428	1.8
263.20041	8.0
267.21045	1.9
269.22549	8.4
277.18231	2.1
291.19528	2.2
301.25073	2.1
305.24658	2.8
319.26373	16.3
329.21259	2.9
329.24814	8.4
337.27307	5.8
347.25803	100.0
365.26797	21.6
368.90897	2.0
385.09235	2.4
393.30112	15.4
403.24240	3.1
403.28790	3.6
403.33112	3.5
421.29404	63.6
421.34738	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	421.2584
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03945	7.6
55.01875	9.4
55.05510	32.5
57.03437	11.1
57.07075	5.3
57.96951	1.7
61.02919	2.2
65.03935	5.5
67.05508	64.6
69.03437	17.6
69.07073	24.3
69.57264	11.3
69.82375	1.9
71.04997	9.5
71.31762	2.0
73.02916	4.4
79.05495	74.1
81.03422	26.9
81.07060	62.2
83.04979	8.2
83.08628	16.3
85.02911	16.9
85.06552	5.3
91.05483	92.3
93.07045	76.2
93.07632	4.0
95.04969	24.3
95.08611	51.8
96.08875	1.8
97.02890	13.4
97.06529	7.8
97.10181	6.6
98.20731	3.0
99.04464	6.3
99.08059	2.9
103.03950	3.2
103.05470	3.3
105.07037	100.0
107.04978	9.1
107.08592	44.5
109.02878	2.9
109.06529	9.2
109.10159	25.1
111.04443	7.4
111.08080	4.1
113.06051	2.0
115.05472	7.4
117.07021	45.5
119.08578	71.7
121.06506	9.1
121.10146	35.0
123.04432	3.7
123.08079	7.0
123.11720	6.2
125.09632	4.6
127.03929	3.6
128.06215	7.2
129.05533	3.1
129.07011	31.2
130.07811	3.5
131.04932	2.7
131.08575	63.9
132.09341	2.3
133.06506	6.7
133.10133	50.1
135.08061	10.0
135.11707	25.1
137.05998	3.1
137.09650	5.2
139.11057	2.5
141.06987	8.3
142.07797	5.9
143.08557	32.7
145.06491	6.0
145.10130	61.8
147.08054	8.2
147.11694	43.1
149.09619	6.5
149.13269	15.2
151.07530	2.9
153.05531	2.0
153.06952	2.5
153.09093	2.2
154.07780	2.3
155.08551	13.7
156.09293	2.2
157.06534	4.3
157.10141	26.8
157.11320	3.1
159.08072	7.1
159.11688	41.8
160.12451	2.2
161.09641	7.0
161.13268	26.3
163.07559	2.4
163.11232	5.7
163.14845	3.9
165.09158	3.1
165.12871	2.5
165.18877	1.9
167.08548	6.6
169.10124	15.6
171.08058	5.8
171.11696	25.2
173.09616	7.3
173.13251	30.2
175.11171	5.3
175.14861	11.0
177.12735	4.4
179.08560	2.2
181.10149	7.0
183.08034	2.8
183.11731	15.7
185.09692	4.1
185.13222	23.4
187.11194	7.1
187.14853	10.4
189.09012	2.4
189.12741	4.4
189.16447	4.0
191.14340	4.2
193.10205	2.9
193.12242	3.1
195.08051	2.2
195.11710	8.8
197.09714	2.7
197.13271	9.6
199.11249	4.7
199.14836	10.1
201.12859	6.6
201.16431	5.7
203.14441	4.3
207.11710	3.3
207.13609	2.6
209.13318	5.6
211.11211	4.6
211.14777	6.4
213.12798	4.3
213.16403	5.3
215.14334	3.9
217.15898	6.6
219.11879	2.4
221.13387	2.4
225.12851	2.6
225.16292	3.0
229.19550	2.7
231.17458	2.8
231.21101	3.8
237.12668	3.0
239.17986	5.0
241.19489	13.5
251.18030	3.5
253.19553	4.6
257.18994	16.2
259.20563	38.3
265.19363	2.0
269.19025	3.1
271.20602	11.2
273.22226	8.3
275.20068	11.0
277.21695	6.3
283.17023	2.1
283.20529	3.9
285.18500	2.1
285.22302	2.3
287.20142	6.3
289.21631	9.9
293.54947	2.1
299.16611	2.0
299.20184	2.5
301.21594	34.8
307.20572	2.9
311.20053	4.1
313.21695	10.1
315.23422	2.4
317.21140	3.5
319.22742	6.3
321.21878	3.0
323.20267	2.0
325.21796	5.5
329.21185	14.5
330.21924	2.0
331.22974	2.7
339.23242	8.4
343.22809	4.8
347.22134	4.9
349.21469	8.9
355.22519	2.6
357.24271	6.3
361.23724	3.3
367.22675	30.8
385.23721	38.5
403.24796	68.0
403.33325	2.5
403.39200	2.2
421.25882	82.7
421.34467	14.0
422.25894	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2587
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
51.02388	2.2
53.03939	5.9
55.01869	8.4
55.05516	28.5
57.03445	13.5
57.07073	3.4
59.05005	4.7
61.02946	2.0
61.78002	1.6
65.03945	3.4
65.66161	1.7
67.05510	100.0
67.12292	1.7
69.03428	8.4
69.06767	2.1
69.07077	19.8
69.29122	16.9
71.04988	6.0
72.08146	2.5
74.37117	1.6
79.05500	45.0
81.02972	3.6
81.03423	38.7
81.07059	53.5
83.05002	11.8
83.08628	20.5
85.02911	7.1
85.06541	3.3
87.04443	2.1
91.05489	54.8
93.07056	51.0
95.04974	67.3
95.08047	3.6
95.08617	44.1
97.02905	7.1
97.06545	8.5
97.10162	14.0
98.21465	3.5
103.05482	3.5
105.03400	3.1
105.07040	39.8
107.04966	25.6
107.08612	27.9
109.02828	3.2
109.06523	11.4
109.10171	53.4
109.10918	3.0
111.08095	7.0
115.05451	4.5
117.07031	20.1
117.07806	2.6
119.04956	4.3
119.08593	41.5
121.06516	26.3
121.10142	22.4
123.04523	2.0
123.08085	9.7
123.11721	4.1
125.09650	13.8
127.03996	2.2
128.06209	5.8
129.07004	19.5
130.07756	2.1
131.04906	3.3
131.08566	26.8
133.06511	8.4
133.10133	22.5
135.04437	2.7
135.08078	8.4
135.11691	10.2
137.05994	2.1
137.09662	7.3
139.11208	2.7
141.07001	7.8
142.07788	3.4
143.08563	12.9
145.06491	6.4
145.10135	18.9
147.08095	6.6
147.11702	15.0
149.09639	7.9
149.13303	6.2
153.05458	4.3
153.09122	2.5
155.08540	7.0
155.10666	4.0
157.06516	5.6
157.10124	20.9
159.08080	3.8
159.11688	14.7
161.09634	8.1
161.13283	5.4
163.11235	11.2
165.07013	2.4
165.09213	2.2
167.08488	3.8
169.10129	9.4
171.08087	2.3
171.11700	11.0
173.09589	3.4
173.11748	10.1
173.13297	8.5
175.11238	12.3
175.14824	5.0
177.12775	6.3
181.10165	3.2
183.11732	5.5
185.09634	4.5
185.13322	6.1
187.11214	7.5
187.14784	4.7
189.09158	8.7
189.11244	8.5
189.12640	4.4
189.16492	2.5
193.12267	18.1
195.11711	4.9
197.13269	2.8
199.11211	4.2
201.12753	4.3
201.16406	2.3
203.10783	10.5
203.12671	4.0
203.14456	4.4
205.12268	5.2
207.13928	2.6
209.13280	3.0
211.14896	2.8
213.12778	4.6
213.16461	2.4
215.14334	2.0
217.15965	2.3
219.13727	3.0
223.13231	5.2
227.17867	1.8
229.05067	3.1
231.13882	5.4
243.13841	2.8
246.89651	1.9
249.14839	7.9
255.20950	2.1
259.09695	3.5
267.21054	2.9
283.20715	3.0
293.19122	1.8
301.21667	7.6
305.17755	2.3
311.20078	17.7
329.21124	82.1
347.22150	12.7
377.23196	1.8
385.23495	9.1
403.24826	52.6
403.33258	3.8
421.25848	82.5
421.34427	21.4
422.25720	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
53.33604	0.5
55.01865	0.7
55.05524	2.5
57.01067	0.5
57.03442	0.7
57.07069	0.7
57.87875	0.5
65.03934	0.8
67.05510	4.9
68.99789	0.8
69.03435	8.7
69.07071	2.5
69.74058	3.0
70.04083	0.6
70.06577	1.1
71.04987	1.2
72.08158	1.7
78.07779	0.4
79.05502	7.1
81.03421	3.6
81.07059	8.4
83.05006	2.5
83.08636	0.8
84.04517	0.5
85.02934	2.6
87.00829	2.3
87.04450	0.5
91.05482	8.2
93.07055	4.8
95.04972	2.2
95.08611	2.5
97.02903	6.0
97.06516	2.2
99.04452	1.7
103.03960	0.9
103.05498	0.9
105.01835	0.8
105.07034	11.9
107.04963	4.3
107.08603	20.7
109.02892	5.1
109.06538	3.5
109.10172	6.6
111.08108	0.6
115.05474	2.3
117.06991	2.7
118.07819	0.7
119.06094	0.6
119.08597	5.5
121.06506	3.3
121.10152	13.5
122.07288	6.8
123.08055	1.5
127.03928	15.0
128.06223	0.7
129.06947	0.5
131.08577	3.5
133.10136	100.0
134.10484	1.7
134.40633	0.5
135.04428	0.8
135.08061	7.8
135.11719	1.4
137.05998	2.3
137.09624	59.1
138.09995	0.8
143.08554	1.3
145.04958	1.3
145.10095	2.2
147.04446	0.8
147.08049	0.9
147.11658	2.8
149.09641	2.2
149.13263	8.0
153.05486	1.2
158.10928	1.7
159.08145	0.6
159.11674	0.7
161.06013	0.9
161.09583	0.6
163.03867	0.7
163.07663	0.5
163.14891	2.5
171.11716	0.5
173.13272	7.3
175.14908	0.7
179.07114	1.0
181.08452	0.6
191.14311	44.6
192.14688	1.1
198.12018	0.5
213.04010	3.6
215.07109	1.2
231.05095	1.1
259.09540	1.1
317.17761	1.0
335.18451	0.8
403.17764	1.3
421.15607	0.7
421.34595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1343
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03446	1.1
69.03424	2.7
69.43493	4.5
75.41917	0.5
81.03416	0.6
82.06586	2.2
85.02901	4.3
87.04474	1.5
97.02900	1.9
109.02841	0.6
110.58856	0.5
115.03955	1.3
116.41939	0.5
127.03925	100.0
128.04239	1.1
133.05005	1.1
172.60843	0.5
289.09161	2.1
294.47186	0.5
421.16821	0.8
421.21634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01879	4.5
55.05500	2.5
57.03429	2.1
61.02901	0.9
65.03928	1.1
67.05509	9.1
68.99772	2.1
69.03437	8.9
69.07066	2.8
70.06589	3.0
72.08150	3.7
77.03937	1.1
79.05505	7.2
81.03423	8.2
81.07059	10.0
83.04981	4.4
83.08609	2.1
84.04517	0.9
85.02917	9.0
86.09705	1.5
87.00847	4.6
91.05478	11.2
93.03398	0.9
93.07060	5.7
94.04195	1.2
95.04980	13.8
95.08582	2.2
97.02905	14.8
97.06526	2.5
98.21484	3.7
99.04461	2.0
103.03925	1.3
103.05454	1.2
105.03403	1.8
105.07027	11.0
107.04959	18.6
107.08595	10.7
109.02895	5.6
109.06525	8.8
109.10167	40.2
111.04439	2.6
115.03957	5.8
115.05457	1.9
116.07080	1.0
117.07025	3.8
119.04962	10.5
119.08586	8.9
120.08099	3.0
121.02872	1.8
121.06527	6.6
121.10155	3.2
123.04474	1.8
123.08085	1.4
125.06005	2.0
125.09588	1.6
127.03954	4.3
128.06247	13.5
128.07153	1.7
129.07014	33.2
130.07800	1.5
131.04945	1.7
131.08568	13.9
132.08908	0.8
133.06473	3.1
133.09216	0.9
133.10123	5.9
134.72142	0.8
135.04419	5.9
135.08076	4.4
135.11685	1.0
137.05977	7.3
137.09624	1.8
139.11201	1.1
139.82262	0.9
141.07025	2.5
142.07742	1.4
143.08524	5.1
145.06509	5.4
145.10120	8.7
147.04495	1.6
147.08083	6.0
147.11646	2.1
149.05994	7.9
149.09607	2.5
151.07559	14.1
153.05496	1.1
153.06960	1.6
154.07845	2.1
155.06004	1.2
155.08521	6.9
156.09346	2.7
157.06537	5.7
157.10097	4.8
158.07254	3.4
159.02898	1.4
159.08105	7.8
159.11723	4.0
161.06030	4.7
161.09624	2.7
161.13338	1.1
163.07553	7.3
163.11165	1.8
165.07039	1.4
165.09116	2.0
167.07014	2.0
167.08502	1.0
169.10109	3.7
171.08051	2.7
171.11705	4.2
173.05922	1.0
173.09602	7.5
173.13240	9.5
175.07568	6.2
175.11104	1.2
175.14799	2.9
177.09161	2.2
179.07074	5.8
179.08441	1.6
181.10100	1.7
181.12242	2.0
182.07481	1.0
183.08069	3.5
183.11690	2.9
185.05994	79.4
185.09572	2.7
185.13263	2.9
186.06525	2.6
187.11182	3.1
189.05502	2.2
189.09099	2.0
189.12733	2.7
191.07039	3.4
191.14342	4.9
193.08592	2.1
193.10210	1.5
195.11835	1.8
196.12509	1.2
197.09622	2.6
197.13290	2.0
199.07541	5.5
199.11163	2.4
201.03978	1.1
201.09123	47.7
201.12776	2.9
202.09352	1.2
203.07043	15.4
203.10646	1.3
203.14340	3.1
205.12267	3.0
207.06535	1.8
207.13776	1.4
209.13184	1.1
211.14812	2.3
213.12756	5.7
215.10686	3.7
215.14310	1.0
217.08629	5.2
217.12097	1.6
219.13792	1.6
221.13329	1.3
223.11075	3.0
224.12050	1.1
225.09187	1.6
231.10194	1.8
233.11835	1.1
239.10530	1.2
239.14316	4.2
241.12236	6.0
243.10193	100.0
244.10474	2.6
245.15491	1.8
253.15912	1.8
257.15372	2.8
259.13394	2.3
261.11310	4.1
263.14279	1.6
271.16879	1.7
274.15643	1.1
275.16467	1.5
281.15384	4.3
283.08081	1.2
287.16568	1.2
299.16394	12.9
300.16824	1.0
307.08179	2.1
317.17453	9.8
321.09628	1.5
347.11395	4.4
349.18402	1.2
365.12308	9.8
403.17557	3.4
421.18680	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04785	2.0
55.01862	3.1
55.05502	3.1
55.16006	2.3
55.56112	2.4
55.75042	2.3
57.03440	18.6
61.02927	5.3
68.93045	3.0
69.03438	41.3
70.06586	7.9
71.13087	5.2
73.02914	17.7
81.03429	3.3
81.07054	3.3
85.02903	39.7
87.04483	24.9
91.05487	100.0
95.04955	7.8
97.02900	52.7
97.14624	2.6
98.06052	6.9
98.09711	4.6
98.21335	2.5
99.04491	2.8
105.07031	5.2
107.04995	5.3
108.27257	2.3
112.01211	2.8
115.03937	47.7
116.01679	5.3
127.03902	10.3
128.07120	5.0
133.04968	44.4
133.06500	5.0
137.09695	2.4
144.06601	4.3
145.04970	8.5
145.06404	2.9
150.07645	6.9
150.09087	3.3
161.04581	2.6
162.02223	6.3
163.06010	3.1
179.04915	2.4
179.05550	2.6
179.07028	24.7
190.88042	2.4
223.06059	3.0
223.09596	4.6
241.07057	3.2
246.39494	2.7
253.10931	3.3
259.11115	14.3
374.15891	10.8
420.16611	9.8
421.20123	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	420.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02284	0.7
53.03944	0.8
54.26083	0.7
55.05510	3.2
56.05041	3.3
64.48992	0.7
65.03941	1.0
67.05518	8.9
68.05025	2.2
69.07078	3.6
69.64625	4.5
70.06598	59.4
72.08169	0.8
75.85301	0.6
76.26609	0.7
79.05500	8.9
81.07062	7.4
81.36114	0.7
82.07366	0.9
83.08618	0.9
86.05591	0.8
86.06076	10.1
87.36094	0.7
88.04009	0.7
88.07629	1.3
91.05492	5.5
93.07044	9.4
95.04972	1.3
95.08619	6.0
96.08138	3.0
98.06084	0.8
102.05572	0.9
107.08612	4.5
109.10168	2.5
114.05541	26.9
114.09177	33.4
114.26413	0.7
117.07047	1.4
119.08592	2.3
121.10158	2.7
131.08559	1.3
133.10139	1.6
135.11639	1.0
142.08646	66.1
143.08821	1.1
145.10104	1.0
147.11649	0.7
149.13158	0.8
157.10139	0.9
160.09706	100.0
161.09982	1.1
226.87045	0.6
238.95604	0.7
284.80167	0.7
289.81723	0.6
299.93152	0.6
319.26346	3.4
374.30478	1.6
383.28705	0.7
420.31097	86.1
421.31390	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	420.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05289	0.5
53.03937	1.1
65.03934	0.6
66.98512	0.5
67.05491	1.0
69.03406	0.6
69.07062	0.5
70.04056	0.7
70.06599	4.4
72.08163	1.0
76.02217	0.6
79.05502	0.5
81.03415	0.8
81.07060	0.6
83.89210	0.4
84.04510	2.8
84.08137	1.6
85.02895	1.3
86.09686	0.8
89.03891	0.4
91.05484	6.2
92.80125	0.4
93.07037	1.6
95.04987	5.8
97.02892	1.0
98.06068	0.5
102.05553	0.9
103.05476	1.9
106.06568	0.5
107.04952	1.4
107.08540	0.7
109.06546	1.1
110.07172	0.6
112.03939	0.8
112.08760	1.0
116.94590	0.5
118.04227	0.5
119.03444	1.0
119.04964	3.2
119.08615	0.6
120.08121	3.2
121.06487	2.7
123.04432	11.2
127.03909	1.1
128.07062	1.5
129.13501	0.4
133.02858	0.5
133.10101	0.6
135.04401	0.7
135.06784	1.1
136.05185	0.9
136.07605	2.2
137.05983	1.5
140.04703	2.2
143.51692	0.5
147.04408	2.0
148.07562	2.2
149.02351	0.8
149.06010	1.2
149.08394	5.6
149.09558	1.0
150.09158	8.6
151.03925	0.6
153.05470	2.4
155.07053	4.8
162.09195	0.7
164.04678	1.8
164.10776	0.5
165.05461	3.3
166.06258	1.0
167.06989	1.4
174.09178	1.4
179.07043	100.0
180.07591	1.4
181.08557	1.6
183.06535	8.5
188.41170	0.5
192.04205	2.0
196.09691	0.8
197.11853	0.5
207.06564	2.9
218.16988	0.4
225.07588	13.3
259.10959	0.5
299.71713	0.5
332.13144	0.5
374.16013	33.7
375.16211	0.5
389.12167	0.6
420.16541	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
54.56351	2.0
55.01866	4.9
58.99589	2.7
60.42382	2.3
67.05516	4.8
68.05042	2.9
69.03434	4.5
69.73264	3.4
69.73689	12.1
70.06599	17.9
71.04990	6.3
72.08167	13.3
74.00670	5.3
74.08858	2.3
76.02234	10.2
81.03417	7.5
84.04513	19.9
84.08127	5.4
85.02914	8.3
85.04040	4.2
86.09712	4.6
86.99058	4.3
88.04018	3.8
91.05485	8.9
94.06561	2.8
95.04972	13.9
97.01148	2.9
97.02937	3.9
99.04488	2.6
103.05475	7.1
105.07109	3.1
107.04955	12.6
107.08569	2.6
108.08152	2.8
109.02925	3.0
109.19061	2.2
112.07690	2.8
113.06013	8.9
115.05455	3.4
116.01702	3.7
116.07107	5.5
117.07022	15.4
119.04987	2.8
121.06499	19.3
123.04424	15.9
124.07608	3.0
127.03928	6.1
128.07089	3.6
130.05005	9.5
131.04633	4.0
133.06499	6.8
135.08072	2.7
136.07661	3.1
137.05984	17.3
138.05513	4.4
140.04706	4.3
141.05464	2.5
142.03253	2.8
144.01074	2.5
145.06519	37.8
147.04402	9.4
147.08076	6.6
149.05992	52.4
150.09196	5.1
153.05489	6.7
155.07050	9.5
157.07658	2.5
159.09244	2.8
161.06041	8.0
161.08398	8.8
162.02255	7.8
162.09187	2.6
165.05461	4.9
167.07152	6.7
168.06555	4.2
169.03209	3.8
170.06303	2.8
171.04410	10.0
173.06003	11.0
173.08116	8.7
174.09238	3.2
175.03926	4.9
176.10721	100.0
177.03300	28.4
178.08679	6.7
179.04897	5.4
181.04916	15.5
183.06577	11.3
184.07671	3.5
188.07407	5.3
189.03346	2.3
189.05536	3.9
191.07040	27.4
193.04962	3.3
195.08127	4.4
196.09721	5.0
199.03900	3.0
202.08650	10.8
206.32367	2.2
207.06566	7.6
211.07571	2.8
217.05038	8.3
220.09740	3.0
222.11275	82.6
224.09190	4.1
225.07527	15.7
231.04663	3.3
235.05908	5.1
237.02679	2.2
241.08659	4.0
257.08109	25.6
266.10339	7.4
271.09683	3.5
283.09738	8.6
285.11240	4.6
291.10086	5.8
299.11740	2.3
301.10895	3.0
310.99155	2.1
311.09152	2.9
325.10825	3.6
327.12424	2.8
329.10367	4.1
343.11929	6.5
345.11099	7.0
356.14926	43.2
360.14536	7.9
371.11288	10.1
374.16037	36.4
402.15509	21.1
420.16599	82.6
421.16980	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	420.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61817	2.1
53.63670	2.0
55.01872	4.6
55.05512	3.6
55.09126	2.0
56.05030	3.2
57.03428	4.3
58.99598	6.4
69.03421	5.6
69.98340	5.2
69.98734	4.7
70.04086	16.5
70.06596	21.4
72.08173	10.7
73.02911	1.9
76.02235	9.4
79.05482	4.0
81.03416	2.7
81.07050	9.1
84.04492	7.6
84.08147	12.1
85.02900	9.7
86.00690	3.3
86.09718	8.5
86.99059	3.6
87.10057	2.6
88.03986	3.6
90.72254	1.8
91.05490	18.5
92.51807	1.9
93.07027	4.6
95.04989	6.6
95.08623	3.3
97.02898	10.7
98.06063	34.0
98.09702	7.3
98.21420	3.4
99.08151	3.9
102.05556	4.5
105.07074	5.4
107.04993	4.6
116.01684	11.3
116.07103	2.8
119.04954	7.2
119.08560	3.6
120.08100	4.9
121.10114	2.8
122.09682	2.6
123.04464	6.8
124.07639	4.3
127.03903	4.6
128.07106	3.7
130.06804	2.0
131.04915	3.0
131.08630	2.5
133.06508	5.4
135.07988	2.5
137.05981	26.0
141.15340	2.2
143.04849	2.5
144.01180	3.2
144.06573	12.1
145.06517	7.4
145.10175	3.3
146.06078	3.6
146.09666	3.5
147.04410	9.5
148.07603	4.8
150.09120	2.4
153.05507	5.6
155.07045	2.9
156.08432	7.5
156.10237	7.6
157.06752	2.5
159.06824	3.3
160.07600	3.5
161.05862	2.6
162.02197	11.5
162.09186	4.8
163.11235	4.0
167.07050	100.0
169.03128	4.5
171.04489	3.2
172.07602	3.5
174.09161	29.9
179.04855	5.2
179.07082	8.2
181.08722	4.1
190.08681	4.3
205.06572	3.5
216.06946	3.8
219.08206	2.6
220.09705	2.9
222.06787	3.3
233.06050	4.4
237.09140	5.0
240.13481	9.6
258.14587	12.9
259.11142	48.1
265.08649	8.5
293.07990	3.5
297.11401	5.5
309.11267	2.8
325.10678	10.7
328.15475	28.3
338.13882	4.3
343.12225	3.0
353.10251	5.2
356.15039	22.5
371.11230	3.8
374.16006	76.7
374.20578	4.6
402.15457	9.0
420.16629	91.4
420.26212	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3523
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
50.01840	1.0
51.02373	1.1
53.03942	3.4
55.05512	11.6
56.96312	1.2
57.06832	1.2
57.07084	18.6
65.03946	1.1
67.05515	7.8
68.99791	1.2
69.06725	1.6
69.07076	25.1
69.57771	7.6
71.08643	12.3
76.38478	0.9
79.05502	8.8
79.10315	0.9
81.03395	1.0
81.07066	15.5
83.04970	4.3
83.05405	1.0
83.08630	15.4
85.10184	5.0
91.05485	8.9
93.07057	7.5
95.04941	2.4
95.08604	11.9
97.10180	10.3
105.07024	5.3
107.04952	2.0
107.08597	5.2
109.06518	21.2
109.10145	5.1
111.04443	1.4
111.11732	7.1
117.07003	2.7
119.08575	3.6
121.06499	4.4
121.10147	3.9
123.08065	3.5
123.11697	3.4
125.06021	5.8
125.13228	1.9
131.08524	4.0
133.06494	1.3
133.08669	1.1
133.10178	2.3
135.04424	12.9
135.08049	4.9
135.11729	2.3
137.05989	100.0
137.09575	2.0
139.07535	1.1
145.10143	3.6
147.11684	1.4
148.08839	1.5
149.06009	6.3
149.09599	3.0
149.13283	1.8
151.07571	14.3
153.05438	5.1
155.07062	5.2
157.10136	1.5
159.08083	1.5
159.11665	3.9
161.09587	1.1
161.13272	1.4
163.07542	3.6
163.11166	3.4
165.09100	6.0
173.09633	2.7
173.13159	1.2
175.11157	1.9
177.09077	3.1
177.12747	1.9
179.08607	1.1
179.10672	6.7
187.11142	3.1
191.10660	4.7
191.14326	1.2
193.12273	9.7
201.12755	1.4
205.12254	12.1
205.15646	1.0
207.13797	4.0
219.13824	3.9
221.15422	1.4
233.15269	1.7
235.16953	1.5
247.17041	1.4
249.18538	2.8
261.18546	1.5
261.25653	1.3
263.20090	4.7
275.20120	2.1
276.98593	1.0
277.21530	1.5
289.21637	2.1
303.23535	1.2
305.24716	1.9
317.24765	1.3
319.26276	3.1
345.27701	1.6
373.34644	1.7
383.32938	3.2
401.34186	80.2
402.34534	1.6
419.21701	1.2
419.35223	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	419.3522
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
51.23398	1.4
53.03949	3.7
55.05515	16.2
57.07084	22.8
57.08700	1.5
65.03940	2.0
67.05505	11.6
69.07075	26.5
71.08638	17.9
79.05508	11.5
81.07062	18.4
83.04993	4.0
83.08626	19.5
85.10181	7.7
89.06052	3.4
91.05482	12.3
93.07040	7.4
95.04993	4.5
95.08623	11.7
97.06549	1.9
97.10176	13.7
99.04490	2.3
105.07061	6.6
107.04942	2.5
107.08612	10.0
109.06535	23.9
109.10189	5.7
110.14378	1.4
111.04438	3.1
111.11720	4.6
112.21995	1.4
113.55838	1.5
117.07044	3.3
119.08611	5.0
121.06503	4.9
121.10194	4.7
123.08067	3.5
125.05994	6.6
125.13279	2.0
131.08614	6.6
133.10182	3.2
134.64272	1.7
135.04436	13.2
135.08064	5.3
135.11719	2.3
137.05991	100.0
141.05504	3.5
145.10168	6.3
147.11676	1.6
149.02408	2.0
149.06015	7.5
149.09674	5.1
151.07565	15.5
153.05460	8.7
155.07072	3.8
157.10083	1.6
159.08138	2.4
159.11711	6.8
161.09586	2.4
161.13336	2.6
163.07584	3.2
163.11201	2.9
165.09123	7.6
169.10168	2.1
172.08914	1.6
173.09697	2.7
173.13290	2.6
177.09122	5.3
177.12759	4.7
179.10654	7.1
187.11186	3.7
191.10678	4.7
193.12270	12.2
205.12303	10.3
207.13857	3.9
219.13870	3.9
221.15405	2.5
221.33623	1.6
263.20062	4.4
275.20090	3.0
291.23117	1.6
305.24954	2.0
317.24890	1.8
319.26257	3.0
320.84033	1.6
333.27887	2.2
345.27783	3.0
373.34796	2.2
383.32950	1.7
401.34195	77.0
402.34399	2.4
419.22592	2.0
419.35071	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	419.3523
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
51.02391	0.7
53.03939	1.2
54.29118	0.7
55.01865	2.1
55.05521	5.3
57.07073	3.0
65.03935	0.9
67.05512	14.2
69.03445	1.1
69.07076	4.4
70.07592	0.7
70.07945	3.1
71.08636	2.9
78.43351	0.7
79.05500	2.0
81.07067	14.8
83.04993	1.2
83.08650	3.5
85.10167	0.8
85.61713	0.8
91.05500	7.8
93.07056	35.8
95.04975	2.1
95.08619	25.9
95.09225	0.9
97.10172	2.5
105.07031	1.5
107.08603	5.2
109.06524	0.7
109.10166	7.0
111.08091	18.9
111.11716	0.9
119.08585	0.8
121.06519	2.6
121.10139	1.5
123.11710	2.5
125.09667	1.2
127.07584	3.9
133.10133	0.9
135.11710	1.4
136.14427	0.8
137.09633	1.2
137.13388	0.9
139.07549	20.9
141.09131	0.7
153.09123	8.6
157.08629	2.2
161.13210	0.9
167.10706	6.2
173.13145	0.8
181.12225	5.2
195.13806	4.1
207.13750	1.5
209.15369	2.9
221.15355	1.0
223.17017	1.8
235.16803	0.9
243.86243	0.8
251.19946	1.0
265.21588	1.0
307.26428	0.9
321.28256	1.2
401.34018	4.2
419.35226	100.0
420.35483	4.9
427.44147	0.9
440.49338	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05814	0.4
53.09164	0.4
55.01873	0.8
57.07068	0.8
64.00185	0.4
69.07069	0.4
71.08653	0.6
85.10181	0.5
91.95104	0.4
99.00799	0.5
99.04470	3.4
111.04444	2.9
125.06004	10.0
141.05484	4.6
149.02354	1.0
153.05481	100.0
154.05759	1.1
173.54558	0.4
212.22476	0.4
302.58289	0.4
419.35239	32.6
420.35669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.352
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03941	1.8
53.51416	0.7
53.87235	0.6
55.05514	12.5
57.07077	6.9
65.03934	2.6
67.05505	4.2
69.03423	0.9
69.07075	19.7
69.25059	6.9
71.08292	0.7
71.08617	3.7
77.19931	0.6
79.05128	0.8
79.05502	9.2
81.07063	9.5
83.04989	4.9
83.08620	10.8
84.98621	0.6
85.10171	2.0
91.05489	10.7
93.07069	3.1
95.04965	1.9
95.08617	5.1
97.10165	5.2
98.20795	1.6
105.07014	3.0
107.04984	0.9
107.08559	2.0
107.52064	0.7
109.06522	27.8
109.07264	1.5
109.10135	1.9
111.08039	0.8
111.11703	2.5
112.99960	0.7
119.08584	2.2
121.06531	1.0
121.10136	1.4
123.08092	2.2
123.11720	1.4
125.06002	6.9
125.13263	1.0
131.08554	1.5
133.06351	0.7
133.10112	1.0
135.08064	1.5
137.05984	100.0
138.06277	0.6
139.07539	1.3
145.10094	1.4
147.11771	0.7
149.09604	1.3
151.07559	18.7
153.05521	1.6
155.07056	7.7
159.11641	1.4
163.07562	2.0
163.11212	0.7
165.09128	11.0
169.08696	0.7
173.23987	0.7
177.09135	1.4
177.12776	0.8
178.08609	1.2
179.10712	6.7
185.13277	1.1
191.10628	1.8
193.12231	7.5
205.12297	2.8
207.13792	3.4
219.13817	2.0
221.15399	2.8
235.09151	0.8
235.16899	1.8
249.18611	2.4
261.18552	0.8
263.20041	3.0
275.20111	2.1
277.21674	1.9
289.21683	0.9
291.23303	2.3
305.24591	0.8
319.26361	1.3
345.27823	1.3
347.72943	0.8
365.23264	0.8
383.32916	1.1
401.34183	31.5
402.34619	1.8
419.35226	86.2
420.35504	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	419.3519
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
51.74256	0.6
53.03952	1.5
55.05513	12.6
57.07080	5.6
65.03936	2.3
65.37796	0.6
67.05502	2.9
67.82149	0.6
69.07073	15.4
69.29580	6.3
71.08643	3.7
79.05494	6.9
80.50571	0.7
81.07065	6.5
83.04987	5.0
83.08630	8.5
85.10172	1.6
91.05482	10.0
93.07041	2.5
95.04990	1.9
95.08605	3.3
96.37054	0.7
97.10192	5.6
105.04539	0.7
105.07043	2.1
107.08614	1.6
109.06525	24.2
109.10169	2.0
111.11734	1.7
119.08595	1.0
121.10152	0.8
123.08083	2.2
123.11708	1.7
125.05992	6.3
135.08035	1.5
137.05986	100.0
138.06323	1.3
145.10095	0.9
147.11629	0.8
149.09639	1.4
151.07559	21.2
155.07018	3.3
159.11700	1.4
163.07574	1.9
165.09137	9.1
177.09166	1.1
179.10687	6.8
191.10640	1.2
193.12271	5.7
205.12276	3.2
207.13837	3.7
219.13948	1.4
221.15422	2.0
235.16949	1.9
247.17084	0.8
249.18481	1.7
263.20102	3.1
275.20007	1.0
277.21603	2.0
289.21832	0.8
291.23367	1.3
319.26312	1.4
333.27933	0.9
345.27823	1.3
369.77731	0.7
401.34171	30.0
402.34457	1.5
419.22925	2.4
419.35223	82.2
420.35699	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	419.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.7
55.01865	11.2
55.05504	10.0
57.03426	10.3
57.06865	2.1
57.07079	22.7
59.05010	13.0
61.02918	6.4
67.05502	17.6
68.99805	4.4
69.03079	3.2
69.03429	40.9
69.07085	13.1
69.30985	23.1
70.06577	8.9
71.04984	10.1
72.08147	11.0
73.02906	5.6
79.05486	7.2
81.03423	50.2
81.07069	15.4
83.04975	3.2
83.08633	6.6
84.08131	2.7
84.97181	2.9
85.02908	74.5
85.06541	14.5
86.09711	3.5
87.00822	25.3
87.04478	4.0
91.05472	9.7
93.07042	12.1
95.04954	5.1
95.08614	72.9
97.02902	35.5
97.06539	10.2
97.25710	2.4
98.09645	2.6
99.04451	19.7
99.08099	17.5
105.01878	23.3
105.06954	2.9
107.04918	5.9
107.08602	12.9
109.02870	43.8
109.06519	10.9
109.10157	22.0
111.08073	12.1
113.02332	2.5
113.09645	67.3
115.03961	4.4
116.58315	2.6
117.01866	3.6
119.08585	4.9
120.08118	3.7
121.10144	4.9
123.04440	5.4
127.03922	68.8
127.11192	10.4
131.08606	3.4
133.10168	4.8
134.88187	2.5
135.11687	16.2
137.06012	3.1
137.13251	10.7
145.04967	26.3
145.06116	3.5
145.06464	3.5
145.55197	2.3
147.02885	3.2
150.09171	5.3
153.12756	100.0
155.14307	22.5
159.02916	28.0
159.11687	4.1
163.03893	4.0
167.07043	11.2
168.07361	3.9
169.07645	3.7
171.13795	23.1
177.12630	3.3
181.05005	3.0
210.03976	4.0
213.04025	3.0
213.14735	4.2
220.02451	6.8
231.05089	13.6
231.10077	2.9
233.18742	3.0
241.09677	4.4
250.51166	2.4
264.23007	2.6
277.40826	2.9
285.08588	6.9
286.06934	2.6
291.06201	3.7
299.10278	2.8
373.14053	5.3
387.11887	6.6
401.16257	4.0
419.14160	17.8
419.18439	4.7
419.19711	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	419.3522
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
53.03948	3.1
55.01868	3.8
55.05518	21.3
57.03437	2.4
57.07083	11.2
65.56393	1.4
65.74237	1.8
67.05510	30.3
69.03445	1.9
69.07076	35.7
69.82236	9.4
71.08641	3.9
79.05499	8.6
81.07065	42.1
83.04999	2.2
83.08626	16.7
85.06551	3.4
91.05492	12.7
93.07053	63.8
95.04980	4.8
95.08616	72.2
97.06519	1.7
97.10150	7.8
98.21426	2.5
105.07056	8.6
107.08612	12.8
109.06525	5.1
109.10164	21.5
111.08088	27.4
111.11725	4.8
112.99984	3.2
113.01648	1.6
113.99437	2.2
117.07056	1.8
119.08637	8.0
119.49422	1.5
121.06528	6.3
121.10164	7.0
123.08082	10.8
123.11717	12.5
125.09634	2.6
127.07587	4.6
131.08595	3.8
133.10089	7.8
135.08054	2.3
135.11734	3.0
137.06017	4.7
137.09598	8.0
137.13269	5.4
139.07567	32.7
147.11723	3.7
149.13322	2.0
151.11180	11.0
151.14825	3.4
153.09122	21.3
157.08656	6.6
157.09955	2.4
159.11740	2.8
161.13260	2.4
163.11224	1.8
163.14857	2.0
165.09140	4.6
165.12796	4.5
167.10709	7.0
169.02600	2.0
171.11702	2.1
175.14807	1.8
179.10716	4.4
181.12288	13.2
187.11255	1.7
189.12767	3.6
193.12325	6.6
195.13789	21.0
197.13374	2.3
203.14304	2.4
207.13815	26.9
209.15422	4.7
213.16367	1.7
219.13788	1.7
221.15440	8.1
223.16937	2.0
235.14723	1.6
249.18504	2.1
251.20108	5.0
262.74908	1.5
263.20160	3.5
265.21689	7.2
275.20157	5.2
277.21719	4.8
279.23251	2.0
291.23380	3.4
305.24911	2.8
319.26346	2.3
321.27921	2.0
332.31534	1.7
335.29517	4.0
383.33112	2.6
401.34177	56.7
402.34653	2.9
419.17975	3.7
419.22775	5.3
419.35254	100.0
420.35416	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	419.17
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
55.01892	10.2
57.40533	7.3
63.28275	8.2
67.05518	9.9
69.03425	8.6
69.33506	25.8
69.33925	43.0
74.71165	6.7
77.36191	6.7
79.05477	17.5
81.03416	9.7
81.07043	31.5
84.08164	10.2
85.02895	10.5
91.05493	12.9
93.07044	12.7
95.04979	10.6
95.08612	16.0
97.02895	20.1
97.06508	10.0
101.95846	9.0
105.07014	17.6
107.04941	14.9
117.03240	8.2
117.06974	10.5
121.10142	9.7
123.04440	13.2
125.05928	10.4
131.04980	7.8
131.08553	13.7
137.05978	9.1
145.06412	12.3
159.07993	18.0
161.05989	15.3
163.07600	8.9
167.07056	95.4
168.07454	8.5
177.05444	19.6
181.04961	24.7
187.07535	11.4
190.06155	8.7
191.07037	10.8
191.59296	8.7
205.08620	20.8
208.05186	12.3
209.08101	20.7
217.08633	28.7
247.07489	10.1
247.09772	10.9
249.11281	18.0
269.08099	26.2
287.05417	9.1
315.08612	84.1
330.10974	100.0
343.11572	10.8
351.12451	11.5
363.59457	8.9
369.13129	7.8
401.16055	18.0
419.14767	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	419.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82801	5.5
53.03936	8.4
55.01866	11.9
57.03434	11.6
61.02941	7.7
65.96950	4.7
68.99798	11.1
69.03430	42.6
70.06591	19.6
70.49188	5.0
71.04998	6.4
71.54824	5.1
71.55206	6.5
72.08151	23.3
73.02914	12.8
73.92683	5.1
81.03429	37.6
84.04519	6.1
84.08139	13.2
85.02908	100.0
86.09702	19.1
87.00809	26.7
89.06034	30.7
90.06378	8.4
91.05475	8.1
95.04946	5.6
97.02906	57.2
99.04436	12.9
105.01875	24.7
107.04962	32.0
109.02879	43.1
111.04458	23.0
121.02876	10.6
123.04424	13.6
126.05544	8.0
127.03938	68.9
129.01804	8.9
132.63177	5.7
133.08563	9.6
134.08855	7.9
135.04414	9.9
139.03899	33.4
145.04961	29.3
147.02905	6.0
147.04433	6.0
149.02348	9.0
157.02957	5.2
159.02910	21.5
163.03922	40.8
171.06537	52.9
177.05519	6.0
181.04944	14.3
195.06516	35.6
209.08188	6.8
213.07597	20.7
218.64215	6.2
229.56358	5.7
231.05165	7.1
233.08099	11.8
237.07582	20.8
239.14923	20.4
240.15266	34.2
248.35721	4.9
261.07605	11.7
279.08655	18.3
283.81519	5.2
419.15350	25.2
419.19968	8.4
423.49094	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	419.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58420	4.4
53.03937	9.4
55.01883	10.1
57.03427	13.5
61.02906	12.4
65.03941	8.1
68.99796	7.7
69.03440	32.1
69.37416	10.4
69.37822	29.5
70.06580	15.7
71.05003	9.3
71.22959	4.4
72.08151	22.5
73.02911	12.0
74.06073	9.2
81.03429	34.2
83.04963	4.9
84.04506	11.1
84.08121	7.7
85.02905	100.0
86.09686	17.0
87.00828	34.0
89.06025	33.3
90.06366	10.4
91.03959	4.8
91.05478	7.5
95.04924	6.3
97.02901	43.2
99.04453	20.7
103.03915	4.5
105.01875	22.1
107.04961	31.1
109.02885	41.8
111.04409	20.4
117.01790	6.8
121.02890	14.6
121.06536	4.2
123.04414	13.6
124.54753	5.2
127.03905	55.9
129.01854	8.9
129.92465	4.1
132.10185	5.8
133.08580	17.9
134.08954	7.4
135.04420	5.2
137.06003	7.0
139.03908	43.5
145.05016	23.8
145.06001	3.6
147.02890	5.1
147.04317	5.2
149.02364	8.2
159.02943	23.2
163.03911	31.4
165.05467	5.8
169.03273	4.7
171.06531	45.6
177.03336	5.0
177.05492	8.5
179.69020	4.5
181.04930	15.4
189.03926	4.8
195.06485	31.0
207.06552	7.6
213.07590	19.6
231.05019	5.3
237.07619	21.0
239.15009	28.2
240.15262	37.5
240.49818	4.1
245.09305	4.4
261.07553	16.5
279.08578	23.9
331.12863	7.2
356.15256	5.0
356.62820	4.4
419.15268	13.4
420.16190	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	418.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.0
62.71179	0.7
69.03415	2.7
70.06590	1.1
71.05025	1.6
72.08161	1.2
81.03425	1.5
85.02916	6.1
85.42117	0.7
87.04478	1.0
89.06037	68.1
97.02296	0.9
97.02898	3.0
107.07045	0.9
109.02867	0.8
117.12476	0.7
133.08615	35.5
133.09628	1.7
145.04953	1.1
151.09674	3.1
177.11221	6.2
195.12318	2.4
239.14909	100.0
240.15309	1.2
428.87735	0.8
433.33807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71538	2.9
53.03946	3.1
55.05509	10.6
57.90852	3.3
58.47126	3.9
59.05019	3.6
59.49271	3.3
67.05516	13.8
69.03436	4.9
69.07070	10.9
71.00934	6.5
71.05003	4.8
79.05502	27.4
81.07071	32.5
83.04987	5.7
83.75614	3.2
85.90588	3.0
91.05495	34.5
93.07057	45.4
95.04976	8.9
95.08643	18.9
97.06538	4.5
103.05479	4.5
105.07040	100.0
107.08611	31.8
109.06533	75.9
109.10174	24.8
111.08093	12.4
115.05490	5.0
117.06987	15.7
119.08598	63.4
121.06532	10.2
121.10167	31.3
122.07257	3.9
123.08087	14.1
128.06227	8.7
128.65617	3.1
129.07016	17.3
130.07805	5.9
131.08569	36.0
132.09294	5.8
133.06453	4.9
133.10129	26.5
135.08089	15.2
135.11708	9.5
137.09618	17.3
139.07439	3.4
141.06960	7.6
142.07809	19.6
143.08574	36.1
144.09340	15.5
145.10133	66.9
146.11028	3.6
147.08061	15.0
147.11696	11.9
149.09651	6.0
151.11221	6.8
155.08582	15.4
156.09357	15.2
157.10147	49.0
158.10941	8.1
159.08060	7.7
159.11707	23.2
160.08842	4.1
161.09618	8.4
161.13223	6.1
165.06996	5.8
166.07860	5.2
167.08575	5.4
168.09354	7.1
169.10162	19.7
170.10965	7.6
171.11691	29.9
172.12503	4.3
173.09732	7.6
173.13300	14.7
175.11227	7.3
179.08543	9.1
180.09329	5.8
181.10159	15.0
182.10945	6.4
183.11710	26.4
184.12532	5.3
185.13348	15.5
187.11186	4.3
187.14842	7.1
189.12766	3.8
193.10130	13.3
194.10918	6.2
195.11659	20.3
196.12392	8.1
197.13298	20.5
199.11278	6.9
199.14903	8.1
200.12042	4.3
201.12811	5.2
206.10854	4.3
207.11659	10.1
209.13330	20.4
211.11353	4.1
211.14868	7.3
212.11989	3.5
213.12746	4.5
218.10803	4.0
219.11697	6.7
221.13338	10.9
223.14841	13.4
225.12662	4.7
235.14868	11.9
237.16411	11.0
242.96162	4.1
247.14992	5.7
249.16458	4.6
251.14429	4.8
265.15710	3.6
357.25803	6.9
374.15295	5.1
375.15881	5.2
385.25232	4.0
390.18326	7.5
403.15091	6.9
403.19922	4.3
418.16922	47.8
418.21545	11.3
418.28610	9.0
419.22272	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	418.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10862	0.9
53.94654	0.8
67.72797	0.9
69.03423	3.6
69.91811	0.8
70.06585	2.3
71.54383	1.1
71.54805	1.1
72.08155	3.9
77.09787	0.8
78.03460	1.8
79.05521	1.0
79.11649	0.8
80.05016	0.9
81.03417	1.5
81.04535	2.4
84.04503	1.5
84.08134	2.8
85.02892	3.2
86.09711	3.7
88.03970	0.9
89.06042	1.1
96.04536	1.2
97.02897	100.0
98.03218	1.2
98.97584	0.9
102.12952	0.8
106.02937	7.4
106.06559	1.4
109.02849	0.9
110.07104	1.3
114.05499	1.0
115.03976	1.4
116.07101	1.0
124.03960	16.2
124.07564	2.3
127.03938	2.2
127.05045	3.3
129.10242	1.7
140.07150	1.1
147.04425	1.4
152.07097	1.3
170.08186	0.8
178.03210	0.9
193.27675	1.1
217.07990	0.8
220.06052	20.7
238.07114	2.8
256.08279	3.0
256.11835	0.9
257.15045	5.7
319.04449	0.8
381.22440	0.8
400.12350	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	418.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
54.69981	1.1
55.05500	1.2
56.05036	1.4
56.96568	2.3
57.03415	1.8
61.02908	1.7
65.03942	2.8
67.05490	3.8
69.03435	11.5
69.56129	7.9
70.06579	4.5
72.08157	6.6
73.02898	3.2
74.06079	2.0
75.49171	1.0
79.05484	3.9
81.03418	6.8
81.07045	1.6
82.26475	1.2
83.04977	1.7
84.04492	2.1
84.08160	8.5
85.02904	10.3
86.09716	5.2
87.04465	1.7
91.05495	1.6
92.04995	2.6
94.06568	1.7
95.04939	1.7
96.08107	3.1
97.02892	9.6
98.06032	1.1
98.20775	2.3
98.97578	3.4
99.04453	1.5
106.02898	5.0
106.06568	30.8
107.04965	1.6
108.08121	100.0
109.02863	4.7
109.08488	1.3
110.06017	1.1
110.07158	1.6
116.07083	2.9
116.98613	2.3
119.04911	3.2
123.04478	1.5
123.06826	6.0
124.03941	3.4
124.07600	29.9
127.03939	7.1
127.96435	1.1
128.98625	1.0
129.10231	4.1
134.06021	17.2
135.04398	1.7
136.07591	18.4
137.05981	2.1
138.05481	4.5
145.04971	2.7
147.04424	17.1
148.07542	2.7
149.00568	1.4
152.07076	82.0
153.05464	3.2
154.08653	1.8
158.99611	1.7
166.08690	1.4
170.08142	24.0
170.09567	1.4
176.06982	2.2
177.00629	1.4
187.05981	2.6
190.04877	1.2
194.08072	1.9
219.01804	2.4
237.02722	2.1
238.07033	1.2
245.04962	1.3
255.03931	1.1
262.02872	1.2
314.12302	2.0
332.13400	6.1
338.12253	3.4
356.13388	11.2
374.14420	13.7
400.12439	13.1
402.84491	1.3
418.13394	48.2
418.25668	1.9
419.13583	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	418.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61787	1.2
58.63570	1.1
61.17225	1.2
67.05484	2.3
67.17980	1.2
69.07072	1.3
70.06582	4.2
70.52964	4.2
72.08144	4.6
79.05492	2.7
81.03410	1.8
81.07056	1.2
83.04958	1.9
84.08123	1.7
85.02903	2.8
86.09705	2.5
91.05477	3.4
93.07015	3.1
97.02880	5.9
97.06487	2.1
98.21505	1.7
98.91280	1.2
105.07031	1.6
107.08605	2.0
116.07079	2.2
124.07589	3.3
127.03904	2.3
131.08540	1.6
133.10141	1.5
135.04359	1.2
140.04918	3.4
154.06471	1.7
155.06047	18.9
167.05956	3.6
167.07034	4.9
168.07123	4.5
169.06239	2.3
169.07611	38.1
170.06000	2.6
174.06384	1.6
179.06018	13.7
181.05067	2.2
181.07593	3.1
182.05988	1.6
183.05559	17.9
183.09172	2.8
184.07521	2.5
185.07098	9.8
193.07596	12.8
195.02850	1.4
195.05551	26.3
196.06299	16.7
197.07115	27.8
198.05548	6.7
198.07338	1.2
201.06667	2.4
205.12112	1.6
207.05499	7.8
209.07095	5.2
210.07819	1.6
211.05000	3.4
211.08673	7.1
213.06589	23.7
221.07080	20.1
223.05005	2.5
224.99614	1.2
225.06592	50.7
226.07124	1.4
229.03917	1.6
229.06085	17.6
237.06540	6.8
238.07359	5.6
239.04533	2.5
239.08157	28.1
241.05978	4.4
243.07651	8.3
249.06589	10.7
251.08189	1.4
253.06073	9.6
255.07489	1.6
257.05685	6.5
265.06158	3.7
267.07660	20.0
269.05624	3.8
271.07132	34.9
277.06094	11.9
285.08704	34.5
285.11356	0.9
295.03912	1.9
295.07156	35.1
308.09946	1.2
312.09885	2.5
313.04599	2.7
313.08179	45.0
314.08551	1.9
331.09293	14.7
340.09265	6.6
354.10651	4.9
358.10349	44.5
359.10507	2.1
372.11926	3.9
382.10367	9.2
400.11386	57.2
401.11411	3.0
418.12354	100.0
419.12650	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	417.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01868	4.0
55.05261	2.7
55.05515	39.6
57.03442	26.4
57.07082	24.9
67.05188	3.0
67.05512	49.0
69.07072	68.8
69.29347	19.0
71.04996	4.3
71.08634	15.6
72.08164	2.6
73.06558	4.3
75.04464	6.0
77.43403	2.1
79.05497	25.7
79.39504	1.9
81.07064	66.8
83.04991	5.8
83.08620	44.7
85.02879	2.9
85.06541	5.4
85.10172	7.3
87.08134	2.1
91.05475	11.4
93.07044	35.0
95.04942	3.0
95.08617	56.8
97.02835	3.0
97.06544	18.6
97.10168	24.6
99.08095	3.8
101.06011	2.5
103.32429	2.1
105.07024	8.7
107.08604	29.5
109.06541	2.2
109.10156	39.8
111.08091	11.4
111.11723	6.1
113.05999	2.8
113.09627	2.5
115.07542	2.7
117.07003	2.9
119.08571	6.4
121.10154	30.6
123.11707	18.7
125.09623	9.2
125.13206	2.1
129.06918	2.0
131.07063	3.5
133.10147	9.5
135.08084	2.4
135.11697	28.7
137.13258	3.2
139.11192	12.5
143.10681	4.0
145.10097	2.3
147.11723	3.7
147.36485	2.1
149.09662	2.4
149.13257	20.1
151.11159	3.7
151.14720	2.3
153.12753	8.2
157.12315	2.7
163.14799	4.4
167.07027	8.4
167.14333	3.7
168.09918	1.9
171.13858	3.1
173.06007	2.2
181.04903	3.0
181.15916	3.5
187.14775	2.4
205.19548	23.7
215.17946	6.1
223.20624	24.2
233.07823	1.8
233.19017	6.1
251.20111	10.1
269.21185	5.6
287.22171	100.0
288.22653	2.6
290.14029	1.9
293.17712	2.1
325.23752	35.6
343.24826	49.4
399.27402	16.2
417.15967	4.2
417.28427	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	417.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41043	7.5
55.05504	23.1
67.05509	38.9
67.96609	6.3
69.03457	6.9
69.07088	35.3
71.55596	10.6
75.06803	7.3
75.30412	6.5
79.05497	37.0
81.07072	52.6
83.04996	9.5
83.08646	11.9
89.11110	7.8
91.05477	33.0
93.07050	51.2
95.04993	18.0
95.08618	56.5
97.10172	10.8
105.07045	74.6
107.08603	67.3
109.06513	71.8
109.10160	31.4
111.08091	10.8
117.07016	18.6
119.07921	8.6
119.08608	98.7
121.10158	59.1
123.08141	8.8
123.11701	28.8
127.13267	6.5
129.07018	13.5
131.08542	54.5
133.10130	74.3
135.08058	13.8
135.11732	43.1
137.05940	10.3
137.09709	6.7
141.07011	9.9
142.07805	33.0
143.08571	32.0
145.10138	54.1
147.08061	15.8
147.11685	25.4
149.13237	9.6
152.03333	7.3
153.07001	10.4
155.08540	18.0
157.10139	54.8
159.08078	11.9
159.11671	37.5
161.09653	13.0
161.13246	9.7
167.07054	42.3
167.08446	10.6
168.09447	7.4
169.10127	31.3
171.11739	39.3
172.77260	7.6
173.09586	9.4
173.13266	31.8
175.11206	12.1
175.14847	16.4
179.08566	12.6
180.09338	11.1
181.04916	14.6
181.10172	22.0
183.11682	33.2
185.09654	19.2
185.13322	19.7
187.11263	14.3
187.14720	12.8
193.10164	23.8
195.11774	17.8
197.13290	20.6
199.11217	12.6
207.11728	17.2
208.12483	8.4
209.13318	26.9
211.11307	8.5
211.14743	13.6
213.12910	10.3
213.16463	14.8
217.12245	7.8
219.11705	10.3
220.12529	8.2
221.13257	19.2
225.12656	9.6
227.14253	8.0
229.12103	8.2
233.13216	12.6
235.14833	16.7
237.12898	12.7
237.16405	14.0
239.14366	9.0
241.19418	8.6
251.14249	9.3
257.30295	8.7
259.14972	10.4
261.16467	10.9
287.17896	11.5
295.16791	11.2
356.16898	8.0
357.25623	10.4
375.26761	12.9
399.26840	28.0
399.31857	8.2
417.27701	100.0
417.32956	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	417.1548
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.02375	0.5
53.03944	0.9
55.01882	1.2
55.05508	0.8
63.94478	0.5
65.03953	3.1
67.05511	2.9
69.03422	1.7
69.07057	1.2
70.06589	1.1
70.59550	1.9
71.04974	0.5
72.08138	1.0
77.15879	0.5
78.04745	2.8
78.05089	0.6
79.05501	4.9
79.50579	0.5
79.54393	0.5
81.03420	1.1
81.07059	3.1
82.04214	1.2
83.08624	0.6
84.08149	1.4
85.02902	3.0
91.05495	2.9
91.43994	0.5
93.03422	0.8
93.07024	1.5
95.04976	2.8
95.08608	2.1
97.02895	2.1
97.06532	2.1
103.05476	5.0
105.03427	1.0
105.04462	0.6
105.07027	2.4
106.04179	1.4
107.04965	6.8
107.08608	1.0
109.06504	0.9
109.10155	1.1
110.03650	1.2
111.04469	1.2
115.05459	3.9
115.33977	0.5
117.07037	6.6
118.04146	1.5
119.04999	0.7
119.08577	1.2
120.80155	0.5
121.06534	0.8
121.10183	1.3
123.04446	7.8
123.08002	0.6
123.11712	0.7
124.05202	2.5
125.05995	2.0
127.03952	0.8
129.07036	0.8
131.04939	4.2
131.08549	0.5
132.05759	0.7
133.06482	1.4
133.10138	1.6
134.03603	0.9
135.04445	0.8
135.11682	0.5
137.02415	0.5
137.05965	1.2
138.03148	1.0
142.02591	1.6
145.06494	8.6
145.10103	1.2
147.08047	1.0
147.11656	0.6
148.05183	3.3
151.03911	1.4
151.07562	0.7
152.04678	3.4
153.05452	1.1
155.06044	3.5
155.09808	0.6
157.10144	0.7
161.05994	1.2
163.07570	3.8
167.07060	100.0
168.07381	1.3
171.06589	1.4
173.06004	15.6
174.06526	0.5
175.04048	0.7
175.07547	0.8
181.04973	45.2
182.05344	0.7
185.13435	0.6
185.87302	0.5
191.07054	13.5
191.08810	0.9
191.10692	0.7
193.05061	0.6
195.06531	1.4
201.05423	0.8
203.06831	0.6
205.06871	0.7
205.08569	3.1
217.08672	0.7
219.06517	0.8
228.31313	0.6
233.08131	7.6
234.99628	0.6
235.07639	0.9
235.09644	3.8
245.08128	0.9
251.79630	0.5
263.09085	0.7
271.06213	0.8
278.10217	1.0
285.07574	0.5
323.09277	0.6
325.10974	0.6
329.10312	1.0
339.12814	0.6
351.70410	0.6
367.11697	0.8
381.13507	1.2
385.12802	1.3
387.14444	14.9
399.10812	1.4
417.15527	29.6
418.16080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01870	1.1
55.05505	0.6
60.22646	0.4
62.63837	0.4
65.03936	4.4
67.05492	2.1
69.03420	2.0
69.07014	0.7
69.52735	1.3
69.53156	2.1
71.04988	0.8
78.04722	2.7
79.05499	5.0
81.03413	0.9
81.07047	2.3
82.04174	1.3
83.04991	0.6
84.08149	5.5
85.02909	2.3
91.05487	3.2
93.03377	1.2
93.07030	1.1
95.04971	2.9
95.08603	1.1
97.02878	2.1
97.06508	1.6
103.05479	6.1
105.03419	1.0
105.07058	2.5
106.04174	1.7
107.04298	0.6
107.04964	7.9
107.08608	0.9
107.62572	0.4
108.02099	0.8
108.38491	0.5
109.02856	0.5
109.06495	1.1
109.10154	0.6
110.03654	0.9
111.04441	1.5
115.05463	4.2
117.07021	4.8
118.04176	1.7
119.04967	0.6
119.08580	1.0
121.06538	0.7
121.10126	0.9
122.03667	1.0
123.00858	0.5
123.04432	7.7
124.05225	3.7
125.05991	2.1
125.09636	0.5
127.03889	0.6
130.04158	0.8
131.04945	4.7
132.89017	0.4
133.06483	1.8
133.10085	0.6
134.03650	0.6
137.05986	1.4
138.03146	1.0
140.73381	0.6
142.02635	0.9
144.05734	0.7
145.06485	9.2
145.10152	0.7
147.08051	0.6
148.05194	2.9
149.05948	0.7
151.03922	2.0
151.07539	0.7
151.11182	0.5
152.04749	2.5
153.05452	1.3
155.04993	0.6
155.06046	2.9
156.05682	0.7
157.06490	0.9
157.10120	0.7
161.06024	1.2
162.59300	0.5
163.07576	5.5
167.07050	100.0
168.07364	0.9
171.06570	2.6
173.05995	12.9
175.07625	1.0
179.07004	0.6
181.04970	50.4
187.07487	0.6
190.06270	0.9
191.07048	17.6
191.08788	0.9
192.07362	0.5
195.06567	1.8
200.25861	0.5
201.05464	0.8
205.08571	2.5
207.10083	0.6
209.07983	0.6
209.30879	0.6
217.08644	1.0
219.10094	1.1
233.08087	8.0
235.09644	3.1
279.10080	0.7
297.11157	0.8
317.28653	0.5
321.11191	0.6
325.10788	0.9
328.78387	0.6
329.10352	1.0
356.38522	0.5
381.13562	1.3
385.12796	0.8
387.14420	12.3
387.19208	1.0
399.14655	1.3
399.32019	1.2
417.15530	24.5
418.15689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.2
55.01867	4.7
55.05499	5.6
57.03430	2.5
59.04989	1.5
61.02934	6.4
65.03928	2.7
67.01882	1.3
67.05511	11.5
68.99797	7.7
69.03129	1.6
69.03436	17.6
69.07058	3.3
70.06593	3.9
70.88425	1.5
70.88747	2.4
71.01347	1.3
71.04993	3.2
72.08153	4.0
73.02914	1.6
79.05058	2.3
79.05497	34.6
81.03432	19.2
81.07064	33.1
83.04984	10.8
84.08163	2.3
84.49837	1.6
85.02897	8.6
85.06563	1.4
85.64679	1.2
86.09707	3.3
87.00838	7.1
91.04974	2.7
91.05480	32.4
93.07050	81.8
94.07391	2.0
95.04981	10.9
95.08601	17.0
97.02892	16.9
97.06520	4.1
97.10175	1.4
97.59533	1.2
99.04451	2.8
103.05457	2.5
105.04517	1.7
105.07037	25.7
107.04967	6.9
107.08598	28.2
109.02885	20.0
109.06523	13.8
109.10146	5.9
111.04450	3.3
111.08079	3.2
115.05447	2.0
116.06237	2.8
116.07049	1.7
117.07027	4.4
119.08594	13.4
121.02952	1.4
121.06552	7.9
121.10152	100.0
122.10471	1.5
123.04417	2.8
123.08067	4.3
123.11718	10.7
125.05987	5.9
125.09621	3.3
126.51461	1.3
127.03930	16.7
129.01846	6.2
129.07005	2.6
130.95776	1.5
131.08588	15.5
133.06458	2.2
133.10133	3.2
135.08040	4.6
135.11638	1.5
137.05951	5.4
139.11185	8.3
143.08563	2.8
145.06519	2.7
145.10159	1.5
147.02852	3.4
147.04460	2.4
147.08073	6.6
149.02280	2.6
149.05937	3.4
149.09627	38.6
151.03970	3.2
153.01797	2.9
157.10109	2.1
159.08026	4.3
159.11755	1.9
161.05901	2.8
161.09605	3.7
163.07561	4.9
167.07088	2.9
167.10699	9.5
169.10199	1.5
171.08043	1.9
173.05963	2.0
175.03978	2.4
175.07600	2.1
177.05592	1.7
179.03392	2.0
179.07074	1.8
181.04947	2.3
183.11708	2.3
187.07553	1.8
187.11162	3.2
191.07045	6.2
195.06551	3.0
211.11168	2.7
213.03995	2.7
215.10733	4.1
219.06496	4.3
227.35822	1.3
229.12225	5.7
229.34702	1.3
233.11754	2.2
239.10629	1.8
257.11777	4.9
258.09854	1.4
259.42892	1.3
273.11322	2.0
275.12735	3.1
371.07745	6.5
397.25626	2.5
398.34415	1.5
415.10544	1.7
415.15622	6.2
415.26733	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	416.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62336	1.5
55.05500	2.3
59.04706	2.1
59.04999	40.8
61.48923	1.3
64.13334	1.2
67.05486	2.4
69.03416	3.5
69.07069	2.5
70.06591	14.5
70.65072	3.6
71.04989	1.6
72.08166	14.9
73.06560	3.3
79.05492	2.2
81.03407	3.1
81.07059	2.4
82.06561	1.6
83.04961	2.2
84.08136	4.3
85.02906	5.1
86.09708	15.7
87.04479	17.4
89.06033	100.0
91.05473	2.9
93.07011	3.0
94.06620	1.8
96.08132	1.8
97.02879	6.2
97.03519	1.4
97.06530	2.7
98.06090	1.6
103.03310	2.0
103.03942	26.5
103.07588	3.2
105.07031	2.8
106.02906	1.9
107.07045	2.6
109.02876	2.0
109.10080	1.4
110.07169	2.7
116.07107	1.9
117.05496	26.8
120.08111	2.1
121.10088	2.0
122.06039	1.9
123.04517	1.7
123.08143	1.5
123.65861	1.7
124.03989	2.5
127.03857	3.0
127.35706	1.3
131.07028	5.3
133.08607	63.1
134.08974	1.5
136.06232	1.7
136.07582	2.3
137.05962	1.9
140.03360	1.4
140.07037	2.4
142.08633	1.9
143.11784	2.5
147.04413	2.8
149.09552	1.7
151.09674	1.7
154.04971	4.3
161.08095	4.4
163.09624	1.8
167.07001	2.6
175.09669	4.0
177.11238	19.8
181.04988	2.0
182.05441	1.7
192.62126	1.3
195.12296	2.3
200.13910	2.0
207.12283	2.5
209.13858	1.6
221.13918	3.2
239.14905	3.0
249.13417	1.6
255.06604	7.6
283.17517	21.1
395.63174	1.6
399.22232	10.0
416.10571	2.0
416.17896	7.1
416.23254	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	415.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
58.06590	1.2
67.05510	1.2
69.03434	2.1
69.07082	1.6
70.06601	3.6
70.65443	1.8
72.08163	5.8
73.06552	1.5
76.56331	0.8
79.05503	1.5
81.03416	1.4
81.07082	1.5
83.04950	0.7
84.08137	1.5
85.02910	2.1
86.06073	1.0
86.09715	6.2
87.04475	4.8
88.03928	0.7
89.06036	100.0
91.05488	1.4
93.07033	1.1
95.04986	1.6
97.02910	3.5
97.06519	2.3
105.07055	1.7
107.04977	1.2
107.07087	2.9
107.08555	0.8
110.09650	0.7
114.05566	1.2
116.07112	2.6
119.08581	1.0
120.08105	0.9
121.02892	1.3
121.10165	2.1
124.03947	1.3
127.03951	1.2
130.08621	0.7
131.07043	1.4
133.08611	51.4
133.81583	0.7
136.06209	0.9
137.05980	1.0
137.09550	1.4
137.10579	0.9
140.10718	4.3
143.08543	1.1
145.10049	0.7
147.08102	0.7
149.09647	4.0
151.03934	2.0
153.01843	1.9
159.11583	0.9
167.07088	1.5
177.09853	1.2
177.11256	12.4
179.03349	0.9
204.12442	0.9
221.13948	1.0
235.16956	1.0
253.15544	3.8
267.14914	3.1
297.07611	0.7
309.16003	1.3
313.15457	1.5
315.08707	1.4
325.07047	1.5
369.18155	2.7
371.07269	1.2
373.17560	1.3
382.68079	0.7
397.09186	1.1
415.10742	3.7
415.23068	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1001
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
50.73986	6.7
60.44947	7.6
63.76931	6.9
70.00357	6.3
70.06576	9.3
71.54764	11.3
72.08123	8.5
150.09161	7.9
207.23068	9.0
234.33736	7.9
246.84274	7.0
277.01712	6.9
415.10025	100.0
415.15057	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	414.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01871	1.1
55.05520	4.1
57.07067	1.4
59.04993	1.2
59.99274	0.6
67.05517	3.9
68.05026	3.9
69.03423	2.9
69.07059	2.8
69.25954	4.9
69.26365	1.1
70.06596	49.5
71.04994	2.5
72.08157	1.2
79.05504	5.8
80.05016	1.3
81.03345	0.7
81.05778	0.8
81.07063	7.8
83.04980	2.9
83.08611	1.9
84.04498	1.1
84.08144	1.8
84.13171	0.6
85.02891	0.9
85.06537	1.9
87.04478	1.4
91.05492	8.4
93.07047	11.1
94.06557	2.1
95.04966	3.4
95.08619	4.6
96.08135	6.4
97.02908	0.8
97.06564	3.8
98.06045	1.6
98.21468	1.2
100.07622	12.4
103.05491	1.2
105.07037	17.6
106.06567	1.0
107.08593	9.3
108.08118	1.7
109.06535	6.0
109.10140	5.7
111.08088	0.8
113.06030	0.8
113.09662	1.1
114.05524	6.3
115.05445	1.6
116.07101	3.4
117.07001	5.1
119.08590	20.4
120.08119	5.6
121.06548	1.8
121.10128	5.3
122.09701	3.2
123.08115	3.2
123.10434	0.8
123.11704	0.9
125.05975	1.5
125.09617	1.0
128.06241	1.6
128.07089	15.8
129.06996	3.8
130.07802	1.3
131.08582	9.8
132.08060	0.8
133.06529	0.8
133.10138	7.0
134.09668	2.3
135.08073	2.7
135.11696	1.1
136.11203	5.5
137.09608	3.6
140.10738	0.8
141.06963	1.1
142.07784	4.8
142.08696	0.7
143.08577	10.1
144.09340	1.9
145.10129	18.7
146.09615	1.6
146.10829	0.8
147.08093	4.1
147.10602	1.0
147.11694	5.9
148.11192	3.7
149.09639	1.6
151.06284	1.9
151.07475	1.1
154.08736	3.2
155.08562	3.4
155.10600	0.9
156.09323	4.2
157.10150	13.8
158.09688	0.8
158.10944	1.6
159.08064	1.5
159.10649	0.7
159.11739	5.1
160.11185	1.7
161.09676	2.1
161.13283	1.2
162.12785	4.8
163.11197	3.4
164.07066	1.3
165.09123	6.5
166.08640	2.5
167.08594	2.5
168.10229	33.2
169.10141	4.3
170.10936	2.0
171.11690	7.9
172.11154	0.9
172.12485	0.9
173.09663	1.5
173.13228	4.2
175.11177	5.0
177.07771	0.9
178.08623	7.6
179.08527	1.2
179.14435	0.9
181.10136	2.1
181.12325	1.6
182.10809	1.2
183.11687	5.0
184.12541	1.0
185.09714	0.8
185.13272	4.6
186.12842	1.0
187.11205	1.0
187.14845	1.5
188.14392	1.3
189.12810	1.6
190.15910	3.4
192.10225	2.5
194.11842	5.1
195.11707	3.4
197.13310	5.0
199.11101	1.6
199.14876	3.6
200.14172	1.0
201.12790	0.9
203.14305	3.9
206.11807	1.9
207.11745	1.0
208.12581	1.3
209.13356	4.2
211.14912	1.3
212.14354	0.9
213.16565	1.0
215.14322	4.2
218.11809	0.8
221.15373	20.2
223.14944	4.1
225.12711	1.3
225.16367	1.9
227.14342	1.6
230.11810	1.0
232.13448	2.0
234.14896	3.3
237.16447	1.1
244.13362	1.2
246.14899	1.6
258.14932	2.0
265.19501	3.6
281.19058	2.0
283.20441	1.1
291.63586	0.7
299.20081	3.0
301.21652	1.7
312.19791	1.0
313.20532	1.2
322.19864	0.9
340.19308	0.9
352.26154	0.8
356.22208	2.6
370.27435	8.2
396.25574	5.0
414.26407	100.0
415.26648	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	414.264
Annotation	Yesodine
Peak:m/z	Relative Intensity
55.05517	4.5
55.05908	1.1
57.07061	2.8
57.13233	0.8
60.47903	0.9
65.94521	0.9
67.05502	8.0
68.05025	4.8
69.03427	3.4
69.07069	5.3
70.06596	53.7
71.04990	1.5
71.29230	1.9
72.08139	2.3
79.05494	7.8
80.05006	1.7
81.07059	10.7
83.04985	3.9
83.08622	2.1
84.04483	1.0
84.08131	2.8
85.02921	1.3
85.06532	2.9
85.63786	0.8
87.04532	1.2
91.05473	11.3
93.07053	10.9
94.06599	2.3
95.04972	3.9
95.08605	3.6
96.08128	4.4
97.02873	1.0
97.06554	1.9
98.06053	1.9
100.07615	12.3
103.05502	2.4
105.07036	19.4
107.08604	9.5
108.08129	3.0
109.02985	1.1
109.06509	7.4
109.10153	8.4
111.08064	1.1
113.09605	1.3
114.05515	6.0
115.05466	1.7
116.07097	5.7
117.07005	4.6
119.08581	26.2
120.08089	5.5
121.10130	5.8
122.09682	4.5
123.08058	3.5
123.11718	1.5
124.11275	1.5
125.09647	1.3
126.05395	1.1
128.06219	3.0
128.07074	17.2
129.06998	5.1
130.07800	2.1
131.08577	11.2
133.10138	7.6
133.26460	1.0
134.09682	3.2
135.08076	3.4
135.11650	1.9
136.11176	5.6
137.09624	3.1
140.07010	1.2
141.06960	1.4
142.07762	5.4
143.08586	11.7
144.09331	3.5
145.10127	21.6
146.09610	1.3
146.10771	1.0
147.08072	2.8
147.10510	1.5
147.11699	5.2
148.11188	4.4
149.09729	1.0
149.11864	1.1
151.06308	1.7
154.08650	2.2
155.08542	2.8
156.09305	5.3
157.10118	13.0
158.10928	1.6
159.08064	2.1
159.11699	6.8
160.11209	3.1
161.09688	2.1
161.13316	1.2
162.12776	8.2
163.11226	2.9
165.09131	6.6
166.08646	2.8
167.08563	2.1
168.08897	2.0
168.10228	31.0
169.10159	3.3
171.11690	8.7
172.11183	1.5
173.09637	1.6
173.13271	4.6
175.11159	2.7
178.08644	7.2
181.05093	1.1
181.10023	1.9
181.12331	2.1
182.10831	1.9
183.11688	6.6
184.11142	1.0
185.09612	1.1
185.13287	5.4
186.12755	1.9
190.15948	2.3
192.10176	2.3
193.09979	1.4
194.11891	6.3
195.11658	4.5
197.13316	5.0
198.12920	1.5
199.11237	1.6
199.14847	4.3
203.14372	3.0
206.11856	1.6
207.11725	1.2
209.13286	4.5
214.15950	2.0
215.14299	2.8
221.13393	1.1
221.15364	17.6
223.14815	4.8
225.16379	2.0
226.15778	1.2
230.11749	1.2
232.13330	2.6
234.14839	3.0
237.16394	2.0
239.17918	1.2
241.15797	1.0
244.13254	1.1
246.15039	1.1
258.15067	2.7
259.15656	2.3
263.17941	1.4
265.19516	3.4
281.18918	1.5
299.20093	2.5
312.19540	1.8
320.18729	1.5
370.27496	13.7
371.24728	1.7
396.25436	8.7
414.26392	100.0
415.26563	3.3
421.51193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32480	0.8
53.03940	1.1
55.05505	3.7
57.03441	1.0
57.07069	2.6
62.19894	0.8
67.05502	5.5
68.05038	4.7
69.03423	3.2
69.07063	3.8
70.06597	50.0
70.13665	3.4
71.04988	2.4
79.05505	6.2
80.05006	1.3
81.07072	8.7
82.06573	2.0
83.04992	3.9
83.08635	2.1
84.04517	13.9
84.08136	2.2
85.02898	2.1
85.06546	2.2
87.04485	1.4
91.05482	9.8
93.07057	10.6
94.06567	1.8
95.04980	3.9
95.07339	1.0
95.08614	5.5
96.08128	6.1
97.02898	1.6
97.06499	2.4
98.06074	2.1
100.07627	13.1
103.03950	1.0
103.05480	1.3
105.07037	17.4
106.06569	1.4
107.08597	11.0
108.08144	2.0
109.06538	6.6
109.10172	5.8
111.08152	0.9
114.05529	5.3
116.07117	2.9
117.07048	5.4
119.07790	1.7
119.08591	22.9
120.08115	7.4
121.06493	1.1
121.10159	6.5
122.09671	4.8
123.08067	3.7
123.11744	1.6
124.11250	1.3
125.09624	1.0
126.05527	3.6
128.06221	3.5
128.07082	20.4
129.07018	3.4
130.07765	1.5
131.08583	9.5
132.08096	1.2
133.10123	7.6
134.09660	3.9
135.08055	3.2
135.11732	2.1
136.11192	5.7
137.09610	2.6
140.07001	0.9
141.06984	1.7
142.07767	7.1
143.08553	10.5
144.09360	3.1
145.10135	17.9
146.09660	2.4
147.08022	2.1
147.11700	9.2
148.11180	5.7
149.09644	1.9
151.06313	1.6
151.07590	1.2
154.08635	3.4
155.08575	3.5
155.10651	1.9
156.09337	4.1
157.10127	18.6
158.09633	0.9
158.10838	1.4
159.08020	2.2
159.11705	6.5
160.11275	1.6
161.09570	1.7
161.13289	2.2
162.12798	4.7
163.11191	3.1
164.07001	1.2
165.09085	5.0
165.12814	1.6
166.08679	3.3
167.08530	1.3
168.06558	1.0
168.10226	39.7
169.10188	3.3
170.10939	2.3
171.11702	8.9
172.11218	1.4
172.12547	1.6
173.09586	1.1
173.13312	5.4
174.12784	1.1
175.11168	5.6
178.08655	9.8
181.10170	2.7
181.12273	1.8
182.10880	1.8
183.11688	4.8
184.12537	1.3
185.13255	5.8
186.07649	1.7
186.12805	1.5
187.14786	1.2
188.14391	1.3
189.12772	1.0
190.15910	2.8
192.10219	3.9
193.10158	1.4
194.11903	6.9
195.11732	4.6
197.13280	6.7
199.14815	4.7
201.12801	1.0
203.14354	3.8
204.08669	1.2
206.11743	1.7
207.11690	1.3
208.12436	1.0
209.13290	3.3
215.14317	5.4
221.13368	0.8
221.15352	18.2
223.14905	4.1
224.73152	0.9
225.16426	2.5
227.14285	1.3
229.14320	1.0
232.13435	1.7
234.14868	4.6
241.15977	1.0
246.14803	1.6
258.14841	1.7
265.19501	4.0
270.14825	0.9
281.19104	1.4
283.20612	1.1
299.20166	1.8
301.21445	1.1
312.19568	1.6
313.20340	1.7
349.93860	1.0
352.26343	1.4
356.22244	2.5
367.27582	0.8
370.27380	7.4
394.82278	0.9
396.25348	4.1
414.26407	100.0
415.26770	2.1
430.91367	0.9
430.97372	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45649	0.4
53.03945	0.4
57.03441	5.0
59.05028	0.4
61.02937	0.7
69.03439	2.5
69.66033	2.4
70.06591	3.0
71.04992	1.4
72.08150	0.9
73.02924	0.5
79.05478	0.7
81.03413	1.7
81.07061	0.4
83.04974	0.4
84.08127	2.7
85.02911	6.6
86.09719	0.9
93.54836	0.3
97.02896	3.2
99.04473	2.2
103.07587	0.5
106.38038	0.4
109.02883	0.9
117.05526	2.6
119.03560	1.1
120.08050	0.4
124.07552	0.8
127.03925	2.1
131.04926	1.1
136.06197	100.0
137.04614	0.5
137.06558	0.8
138.09189	0.4
145.04953	1.1
147.04419	1.1
152.07056	0.4
163.03845	0.5
166.08664	0.7
204.55872	0.4
252.10831	2.6
275.13995	0.7
298.11517	1.1
326.00034	0.5
414.16345	9.2
415.16464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
54.72978	0.6
55.01875	0.7
55.05521	3.7
56.05028	0.7
57.07063	2.1
57.96661	0.6
59.04993	0.9
67.05508	5.7
67.39916	0.6
68.05026	3.7
69.03427	2.4
69.07063	2.9
69.28976	5.4
70.06597	47.3
71.04993	1.7
79.05512	5.6
80.04982	1.0
81.03439	1.1
81.07066	8.2
82.06580	1.4
83.04993	3.5
83.08627	1.9
84.08147	2.0
85.02912	1.0
85.06544	3.4
87.04472	0.8
91.05485	8.9
93.07063	9.1
94.06571	1.7
95.05002	3.5
95.08614	5.2
96.08144	5.0
97.02911	0.8
97.06530	2.5
98.06065	1.7
100.07626	14.1
105.06384	1.2
105.07044	16.1
107.07331	0.7
107.08605	8.3
108.08144	3.9
108.08756	0.8
109.06522	7.0
109.10156	5.6
111.08094	0.9
113.06062	0.9
113.09660	0.7
114.05540	5.4
115.05488	0.9
116.06367	0.8
116.07082	4.4
117.07031	5.2
118.06546	0.7
119.08587	20.2
120.08113	6.4
121.06504	1.1
121.08832	0.8
121.10155	5.9
122.09685	4.6
123.08078	2.7
123.11691	0.7
124.11241	1.1
125.05984	0.8
125.09640	1.9
125.58606	0.6
128.06224	2.6
128.07076	18.3
128.74701	0.7
129.07036	4.7
130.07788	2.5
131.08568	11.0
132.08118	0.9
133.09027	0.7
133.10141	9.2
134.09683	3.5
134.10544	0.7
135.08067	3.2
135.11705	2.0
136.11240	4.9
136.12114	0.8
137.09625	3.7
140.07056	1.0
140.10722	1.1
141.07007	1.7
142.07759	4.7
142.08669	0.8
143.08565	11.7
144.09348	3.3
145.06509	0.6
145.10130	18.5
146.09644	2.1
147.08057	2.4
147.10519	1.6
147.11693	6.6
148.11235	6.5
149.09642	1.2
149.12041	0.7
151.06274	1.5
151.07419	1.0
152.43895	0.7
154.08647	2.6
155.08585	4.1
155.10674	0.9
156.09348	4.3
157.10135	15.4
158.11018	1.0
159.08083	1.4
159.11717	5.7
160.11221	2.1
161.09633	1.2
162.12787	4.4
163.11194	3.2
164.07077	1.8
165.07027	0.9
165.09103	5.6
166.08687	3.5
167.07245	0.7
167.08604	1.1
168.10231	36.3
169.10103	4.3
170.10916	1.6
171.11711	8.9
172.11188	1.2
172.12502	0.9
173.09624	0.9
173.13310	3.4
175.11197	4.8
178.08655	8.4
179.08655	0.6
179.14233	1.1
181.10164	2.3
181.12253	1.8
182.10910	2.1
183.11725	5.7
184.11212	0.8
185.13269	4.3
186.12802	0.7
187.14841	1.1
188.14415	1.4
189.12762	0.8
190.15962	3.4
192.10255	3.8
193.10271	1.0
194.11842	6.9
195.11761	4.2
196.12538	0.7
197.13243	6.1
199.11101	0.8
199.14818	4.7
202.15990	0.8
203.14304	3.2
204.10239	0.7
206.11801	1.9
207.11995	0.8
207.13976	1.0
208.12598	1.4
209.13232	3.2
211.14882	0.9
212.14404	0.8
213.12683	0.7
214.15918	1.2
215.14267	4.1
221.15382	19.4
223.14819	4.7
225.12688	1.1
225.16446	1.0
227.14360	0.8
230.11789	1.0
232.13376	1.9
234.14946	3.8
237.16594	0.7
240.17619	0.8
241.15869	0.9
244.13307	0.8
246.15001	0.9
258.14944	1.5
263.18112	1.2
265.19583	3.6
268.20694	1.2
270.14877	1.0
272.16580	0.8
281.19083	1.4
283.20697	0.8
283.42191	0.8
284.16479	0.6
287.28995	0.7
298.17694	0.7
299.20129	1.4
301.21671	1.2
312.19742	1.3
313.20383	1.2
314.21097	0.7
352.26321	1.5
356.22220	3.4
370.27417	6.1
396.25320	4.9
414.26419	100.0
415.26688	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	414.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27394	0.8
57.03434	0.8
65.03926	1.2
69.03434	3.7
70.06597	6.3
71.54994	1.3
72.08153	2.0
73.02901	0.9
80.68150	0.8
81.03431	1.7
84.04537	0.9
84.08146	2.3
84.88315	0.9
85.02921	4.0
85.06569	1.1
86.06091	0.8
86.09708	2.6
87.04503	1.1
91.05471	5.0
97.02895	3.1
103.07571	1.2
110.06067	2.0
115.03937	1.0
119.04960	17.2
121.06483	1.0
122.02726	0.8
122.07168	0.8
127.03969	1.6
131.04941	1.2
136.06209	2.2
136.07596	1.8
145.04938	1.8
147.04424	100.0
163.03926	1.2
166.05026	1.2
166.07245	4.7
166.08549	1.0
168.04066	1.1
171.04527	0.9
175.07489	1.4
177.00897	0.9
203.06870	1.0
221.08101	1.3
221.19945	0.9
234.99020	1.4
239.08293	0.8
252.08665	5.6
281.86288	1.0
293.14920	1.0
386.14191	0.9
392.77118	1.0
414.12476	1.3
414.17331	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.7
55.05507	1.8
57.03431	1.0
59.04982	1.0
67.05489	2.5
69.03413	2.2
69.07060	1.5
69.42570	2.3
69.42997	3.6
70.06586	1.1
71.04956	0.8
72.08153	2.2
79.05482	1.6
79.18179	0.7
81.03399	2.3
81.07062	4.0
83.04978	1.9
84.08125	1.8
85.02882	1.7
91.05453	3.3
93.07039	3.1
95.04942	2.2
95.08596	2.1
97.02877	2.0
97.06502	2.2
105.07012	3.3
107.08561	2.1
109.02859	1.7
109.06538	1.5
109.10135	1.7
111.04443	1.6
116.39007	0.7
119.08565	1.4
121.10192	0.9
123.08087	0.9
123.11695	0.8
125.89498	0.8
127.03938	1.6
131.08543	1.1
133.10056	1.2
135.04443	0.7
135.11737	0.8
137.05949	2.1
137.76813	0.8
145.10112	1.3
147.11644	1.1
153.05486	0.8
159.08112	1.0
159.11676	1.6
161.05972	1.6
167.07051	0.8
175.07458	1.0
185.04269	8.0
249.09000	0.8
251.12575	100.0
252.12842	2.8
269.12344	1.9
339.12314	3.0
347.01559	0.8
369.18811	1.0
413.17844	68.3
414.18192	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.4
58.06618	0.4
58.99854	0.7
66.06616	0.4
67.99912	1.8
69.15871	0.3
71.53762	0.4
71.54138	0.4
72.08154	0.7
77.00906	1.2
79.05532	0.4
79.10392	0.3
86.00928	0.6
86.99332	0.4
91.05482	6.4
94.04204	1.8
95.04945	1.0
102.04050	0.7
107.04953	3.5
109.06506	1.5
110.07194	0.5
117.05754	0.7
118.03494	0.4
119.04951	6.1
121.06490	2.4
123.04435	0.5
126.04008	0.6
130.03468	0.4
131.01851	0.5
132.08067	0.5
135.06805	7.4
143.00639	1.0
144.05096	1.9
147.04413	1.3
148.07635	0.4
150.09146	100.0
151.09457	1.2
153.03943	0.5
156.05008	0.9
161.01701	5.8
165.04013	4.9
165.05441	0.9
167.05551	1.3
171.05016	0.7
172.03345	0.4
178.04794	0.6
179.05602	1.7
181.03477	1.5
182.03053	0.9
183.05020	4.0
185.06592	1.0
189.00406	0.4
189.03651	0.6
190.07127	6.1
192.08797	0.4
193.03470	1.3
194.06613	0.5
195.05038	0.7
195.46582	0.4
196.05899	0.5
196.09679	2.8
197.06622	2.3
200.02423	0.4
200.04027	2.0
200.05592	0.8
204.05101	0.7
205.03563	0.6
206.06674	0.7
207.01460	1.7
207.05037	1.3
208.08220	7.3
210.09496	1.8
211.04532	1.1
218.06607	6.3
219.07408	1.4
220.04546	0.8
222.06152	1.0
223.04489	1.0
225.06108	1.0
229.05685	0.5
232.04932	0.5
233.05112	0.7
234.06078	2.3
236.07683	49.2
237.08052	1.8
238.60320	0.4
241.05630	1.0
243.09807	0.6
245.07784	2.5
247.06937	1.2
249.08501	0.8
249.10820	0.6
250.05675	2.3
250.09326	0.7
251.06310	1.8
252.07333	0.6
254.08751	25.9
255.09221	0.7
259.09213	1.9
260.10074	1.1
261.10754	0.8
262.11667	0.4
263.06525	2.0
265.10452	0.7
266.05087	0.5
268.06659	3.4
269.07224	0.5
272.09787	11.6
273.10004	0.6
276.09589	2.3
277.10428	0.5
283.11264	0.7
288.09445	0.8
289.10318	1.1
291.08401	2.8
292.09045	3.1
293.07312	0.6
294.07977	0.6
305.09689	2.4
306.10641	1.4
307.11420	3.9
309.09265	3.2
320.08484	1.9
323.10922	1.4
324.11328	0.7
325.12552	1.8
336.10788	1.3
338.09412	14.5
349.14114	3.9
353.04752	0.7
354.11942	1.2
356.13434	1.5
364.10040	0.6
367.15121	3.0
372.12903	0.8
374.14560	1.1
377.13406	0.9
381.11850	0.4
382.11313	2.4
383.11935	0.4
385.16125	2.1
390.13812	0.7
395.14545	17.4
396.14938	0.8
400.12411	5.5
413.15576	28.2
414.15759	1.5
431.16650	49.8
432.17075	2.2
436.17136	0.5
436.68338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
58.06595	0.5
59.02241	0.5
59.40611	0.4
60.07885	0.7
60.08167	11.6
65.03925	0.7
69.03416	1.8
69.23334	1.7
69.23761	2.7
70.06590	3.8
72.08163	2.7
73.02913	2.4
75.81452	0.5
79.05503	0.4
81.03413	1.9
82.06588	1.1
84.08147	1.0
85.02907	2.3
86.09692	0.9
87.04464	0.7
91.05476	5.4
95.54095	0.4
97.02902	0.7
98.20774	0.9
99.04429	0.7
100.07634	3.3
104.10748	31.1
109.02882	1.0
110.07141	0.7
119.04952	15.4
122.02691	0.5
127.03898	0.8
133.06473	0.6
136.07610	0.8
147.04416	58.8
164.07103	0.6
165.05464	0.7
181.97528	0.5
190.58563	0.5
196.07372	0.6
289.05453	0.7
291.08536	0.9
347.14294	0.5
412.19681	100.0
413.20184	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	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.91790	0.5
56.05044	0.8
61.08687	0.4
64.63432	0.4
65.47829	0.4
66.90904	0.4
70.06612	0.6
70.99070	0.4
70.99404	0.5
74.06091	2.3
77.85390	0.4
102.05582	0.7
119.03564	3.4
120.06586	7.7
126.80812	0.4
130.08928	0.4
136.06200	100.0
137.04556	1.7
137.06592	0.5
147.04449	0.6
162.04129	62.5
268.10379	0.9
281.09958	49.7
294.08356	0.6
304.25516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	16.7
57.07052	4.6
67.05511	25.7
69.07071	18.2
71.57022	3.7
79.05492	21.3
81.03424	2.8
81.07059	49.2
83.08621	11.6
91.05481	13.6
93.07055	43.4
95.04964	4.4
95.08611	100.0
96.37379	2.3
97.10163	9.6
99.04474	5.2
100.77807	2.1
103.19253	2.0
105.07047	25.1
107.08604	62.9
109.09454	3.6
109.10160	42.2
111.08056	2.9
117.07055	2.8
119.08577	35.6
121.10138	52.0
123.11719	14.6
125.09583	2.5
127.03890	3.5
131.08566	7.8
133.10136	22.8
135.08014	2.2
135.11710	31.7
137.13293	5.8
143.08551	2.5
145.10146	13.8
147.11687	19.3
149.13251	24.9
151.07545	5.2
153.62405	2.4
157.10179	4.0
159.11700	11.7
161.13255	22.1
163.14824	46.1
171.11687	3.1
173.13249	5.5
175.14835	21.2
177.12813	2.5
177.16394	21.2
179.14328	4.4
185.13177	2.5
187.14859	11.1
189.16373	22.1
191.10681	2.6
191.17996	15.1
199.14893	2.9
201.16388	12.3
203.17947	25.8
205.15965	3.1
207.17407	4.4
209.89841	2.2
215.17992	10.2
217.19516	5.2
219.17513	8.2
227.17686	2.2
229.19608	4.2
231.21042	8.9
233.19034	5.1
243.21156	4.2
281.33484	2.3
297.25787	5.7
315.26907	4.7
393.35217	11.2
411.36331	55.8
412.36795	3.3
435.18790	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	412.1969
Annotation	His Gln Gln
Peak:m/z	Relative Intensity
53.03937	0.3
55.01898	0.3
57.03442	0.5
58.06601	0.9
60.08167	10.5
67.05484	0.3
68.39177	0.3
69.03437	1.5
70.06596	1.6
71.54812	0.4
72.08161	2.7
73.02928	2.2
79.05501	0.3
81.03423	2.4
83.05025	0.3
84.08154	0.5
85.02896	2.3
86.09663	0.3
87.04462	0.5
87.41832	0.3
90.09175	0.8
91.05486	4.2
97.02879	1.0
99.04440	0.8
104.10751	34.3
105.11121	0.4
109.02881	1.3
119.04950	12.2
120.86406	0.3
123.04457	0.3
127.03924	1.1
129.10229	0.4
136.06221	0.8
147.04417	59.6
148.04752	0.7
153.05374	0.4
163.03954	0.6
165.05511	1.0
215.12743	0.4
228.44794	0.3
245.10530	0.3
248.15071	0.4
291.08551	1.5
412.19675	100.0
413.19977	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	411.199
Annotation	Flumethasone
Peak:m/z	Relative Intensity
69.03429	1.5
69.07053	0.9
69.55282	2.2
69.55698	1.2
70.06595	1.3
72.08160	1.2
79.05476	0.8
81.03438	0.9
84.08128	0.6
85.02897	1.3
87.00841	0.7
97.02887	0.6
97.06492	0.5
99.04456	0.6
103.07561	0.9
105.01852	0.6
105.07067	0.7
107.04900	0.6
107.08617	0.7
108.82388	0.4
109.06506	0.4
121.06513	0.5
123.04424	0.6
127.03912	1.9
127.07484	0.6
147.04456	0.7
147.09212	3.8
163.03938	0.8
182.40910	0.5
191.08125	3.0
192.04056	0.6
199.24309	0.5
203.05307	2.4
219.58548	0.5
231.13626	0.6
238.04620	0.8
252.06238	1.1
262.04666	0.8
279.07135	0.8
281.14999	2.2
325.13885	4.3
347.13538	1.3
365.14703	1.4
393.13950	1.9
411.19919	100.0
412.20285	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	410.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
57.07080	100.0
59.05008	17.8
67.05498	3.0
69.07062	2.5
70.02042	5.2
70.06561	1.4
71.08636	92.4
78.51785	1.5
79.05493	1.8
81.07067	3.2
83.08607	2.7
85.10188	85.3
89.06038	53.3
93.07039	3.9
95.08625	1.6
96.08981	2.0
99.11731	8.2
103.07582	3.9
105.07053	3.7
107.07050	2.5
107.08564	2.4
108.08905	1.5
108.77416	1.4
116.73482	1.2
119.08585	1.8
119.25195	1.3
120.08968	1.4
121.06527	1.4
121.10082	1.6
130.08656	2.1
131.07031	1.6
133.08601	18.6
134.10556	1.4
138.30922	1.4
141.16359	9.5
148.06062	1.8
177.11252	23.0
195.12289	22.3
199.20602	10.7
232.67270	1.9
235.15446	3.7
239.14911	3.9
253.16446	2.4
361.45090	1.5
364.32242	1.4
393.32013	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	409.3832
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
52.47411	1.5
53.03943	3.2
55.05268	1.6
55.05515	23.4
57.07082	16.4
62.33870	1.4
67.05511	31.1
68.18147	1.4
69.07073	67.4
70.95850	4.5
71.08630	5.7
77.96680	1.4
78.26022	1.6
79.05505	18.0
81.07062	89.8
83.08624	26.2
87.87366	1.7
91.05490	14.3
93.07055	35.7
94.07362	1.6
95.08612	94.5
97.10185	14.4
105.06351	1.1
105.07036	29.7
107.08602	51.0
109.10164	64.2
111.11721	6.3
117.07019	5.1
119.08591	33.9
120.23310	1.7
121.10155	42.7
121.11028	2.3
123.11723	36.2
131.08586	12.4
133.10138	33.2
135.11708	31.9
137.13264	22.9
143.08595	2.6
144.09361	1.7
145.10118	20.6
147.11705	27.0
149.13255	27.4
151.07549	1.9
151.14847	5.4
157.10178	5.9
159.11719	23.9
161.13268	25.8
163.14825	17.9
165.16504	2.2
171.11710	6.1
173.13277	21.8
175.14827	16.8
177.16374	11.8
184.60164	1.6
185.13272	5.6
187.14806	13.0
189.16425	14.0
191.17943	5.9
199.14864	5.1
201.16428	13.3
203.17998	16.1
205.19608	4.6
213.16473	3.9
215.17987	13.5
217.19542	9.2
227.18019	6.6
229.19534	10.5
231.21098	7.2
241.19579	2.7
243.21173	6.3
245.22701	3.9
255.21149	2.8
257.22595	7.6
259.24271	5.1
269.22543	2.2
270.23969	1.4
271.24249	8.5
283.24164	2.0
285.25797	5.0
297.25470	1.9
299.27502	4.2
311.27350	1.9
313.28860	2.8
325.28992	3.7
327.30499	6.7
339.30457	4.3
353.32016	4.5
366.25662	1.6
367.33704	2.2
381.50406	1.6
409.38330	100.0
410.38779	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	409.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.5
57.07082	6.4
63.33333	2.4
67.05504	24.1
67.47799	2.4
69.07075	55.4
71.05153	5.1
71.08640	6.3
78.33351	2.4
79.05489	11.9
81.07060	100.0
83.08606	21.5
91.05498	8.6
93.07056	28.1
95.08613	79.2
96.12025	2.2
97.10168	8.9
105.07043	20.2
107.08592	30.7
109.10157	50.3
111.11725	4.6
117.07066	2.9
119.08585	30.6
121.10145	42.7
123.11708	26.7
123.79487	2.7
125.13349	2.6
131.08588	9.2
133.10129	20.5
135.11696	26.3
137.13284	20.3
145.10107	11.9
147.11681	25.4
149.13235	26.1
151.14944	4.4
159.11690	19.2
160.12482	2.6
161.13271	23.6
163.14856	13.8
171.11751	2.8
173.13293	15.8
175.14821	14.5
177.16409	13.1
183.00328	2.4
187.14851	15.1
189.16438	10.8
191.18004	6.4
201.16455	9.9
203.18001	13.4
205.19522	3.5
210.89226	2.7
213.16296	3.5
215.17955	13.7
217.19554	8.7
227.17918	2.7
229.19501	19.7
231.21121	5.4
243.21181	3.1
245.22638	3.4
257.22705	5.8
259.24301	4.8
271.24277	9.6
283.23920	2.9
285.26053	4.1
299.27304	6.1
327.30505	5.9
353.31949	5.2
409.38364	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54532	4.7
55.05513	17.7
57.07068	16.5
67.05521	24.3
69.07071	28.9
71.56461	9.9
77.54855	5.1
79.05491	20.4
80.07665	6.5
81.07069	61.6
83.08621	22.6
87.04425	5.0
89.06075	8.4
91.05491	27.4
93.07051	35.7
95.08052	9.7
95.08609	100.0
105.07032	40.5
107.08601	61.6
109.10166	56.1
111.08071	6.6
112.99988	5.4
117.07030	8.4
119.08577	52.1
119.64198	5.1
121.10140	53.1
123.11718	27.1
131.08571	22.0
133.08604	6.5
133.10123	34.5
135.11688	46.4
137.13289	18.7
143.08629	5.9
145.10139	25.5
147.11658	36.3
149.13263	22.4
151.14807	28.5
157.10201	12.5
159.11719	24.4
161.13272	20.3
163.14845	14.5
171.11757	14.6
173.13266	22.3
175.14841	22.7
177.16428	22.3
183.11755	6.7
185.13280	17.1
187.14784	34.1
189.16389	24.4
191.17961	16.1
195.12195	7.3
196.12675	8.6
197.13423	6.2
199.14883	10.1
201.16408	18.4
203.17943	19.0
213.16400	5.6
215.17908	9.3
217.15952	6.6
217.19504	6.4
227.17897	5.8
231.21089	8.1
241.19414	7.8
255.21097	9.4
297.25955	6.1
391.33563	24.6
398.91165	5.2
405.82394	5.5
409.34534	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
50.10334	2.7
53.03935	5.1
55.01873	18.6
55.05515	43.6
55.62957	2.7
57.07079	55.1
67.05508	33.4
69.07072	94.8
69.71172	18.4
70.50206	2.4
71.05003	3.4
71.08638	31.1
73.20137	2.9
77.03935	3.4
79.05500	18.7
81.07058	78.1
83.08628	59.0
85.06577	3.0
85.10206	15.2
89.06032	5.6
91.05485	21.1
93.07052	43.5
95.04980	4.4
95.08612	100.0
97.06547	8.9
97.10173	36.2
98.21479	6.3
99.04474	3.7
105.07049	27.0
107.08600	50.6
109.02867	4.0
109.06507	5.1
109.10163	75.7
111.08095	5.1
111.11740	21.7
112.49369	2.7
119.08575	29.2
119.23212	2.7
121.06506	4.9
121.10146	48.1
123.08060	8.2
123.11713	31.3
125.02348	32.6
125.06045	4.9
125.09564	2.8
125.13269	8.0
127.03913	29.5
129.82512	2.5
131.08595	15.0
133.10139	25.1
135.08069	6.2
135.11693	27.5
137.09607	4.7
137.13264	20.1
139.03848	3.1
139.07562	16.7
141.05544	3.1
145.10147	15.9
147.11684	22.6
149.09625	14.0
149.13277	33.5
151.07535	3.2
151.11177	3.3
151.14830	6.2
153.05504	4.1
157.10153	3.4
159.11757	13.9
161.13268	25.3
163.07532	4.5
163.11249	3.7
163.14854	15.1
165.09073	3.6
165.12839	3.4
167.07047	6.6
169.08611	19.4
173.13275	9.1
175.14909	13.1
177.09088	25.5
177.12700	3.8
177.16397	9.1
179.10667	3.9
179.17937	2.5
181.08537	3.5
183.10193	12.6
187.14838	8.9
189.16408	11.6
191.17961	23.3
195.10184	25.2
197.11674	4.3
201.16454	8.5
203.14464	3.2
203.17995	11.2
205.19557	12.3
209.11812	4.1
215.18027	5.3
217.19525	16.7
219.65009	2.7
229.19405	3.9
231.21109	4.2
233.15538	3.9
237.14940	5.8
243.21143	4.8
245.22653	4.3
251.16495	3.9
253.18115	3.0
255.21159	3.3
257.22656	10.8
259.24066	4.0
265.17960	7.1
271.24225	12.3
279.19531	4.9
293.21082	3.5
309.24075	2.9
311.27417	4.0
313.29196	2.6
327.30377	8.1
335.25949	3.9
345.31531	14.1
347.32953	3.2
355.29810	6.1
373.31012	33.5
391.27225	6.1
391.32080	76.8
409.38440	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15411	1.1
53.03948	5.8
55.01877	6.9
55.05518	13.2
57.03439	5.9
57.07081	14.5
65.54636	1.0
67.05501	3.2
69.07071	24.5
71.08635	9.7
71.21368	2.6
80.58689	1.1
81.03419	10.8
81.07072	5.6
83.08148	1.3
83.08622	20.4
85.10184	6.4
90.35667	1.1
91.05448	1.0
93.07066	2.6
95.08614	6.0
97.10164	11.4
99.04449	2.1
99.11694	1.4
107.08579	1.5
109.02886	35.9
109.10168	6.5
111.11716	5.8
115.03939	7.0
121.10143	1.4
123.04431	2.6
123.08071	1.8
123.11718	2.6
125.13264	4.5
127.03922	100.0
133.06584	1.0
139.14819	2.1
141.05449	5.9
155.07007	2.5
169.08621	7.3
183.10196	17.7
195.10110	5.4
197.11754	6.7
209.11717	3.9
211.13307	3.7
223.13313	2.5
225.14859	4.5
237.14885	4.5
239.16382	8.0
251.16447	4.1
253.17957	11.1
265.17990	6.5
267.19537	4.8
279.19589	4.6
281.21063	5.2
293.21072	2.8
295.22641	4.1
307.22565	3.3
309.24484	5.1
321.24127	3.0
323.25903	1.6
335.25793	3.5
391.32050	32.0
392.32700	1.6
409.33203	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	409.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	4.3
53.03932	4.6
55.01863	13.6
55.05513	55.3
57.06820	5.0
57.07080	58.1
67.05502	32.2
69.07076	100.0
71.04998	4.4
71.05594	8.6
71.08636	44.6
79.05495	16.8
81.03419	7.1
81.07064	70.5
83.05061	3.3
83.08626	59.7
85.10203	18.4
89.06093	4.4
91.05466	17.6
93.07044	36.3
95.04953	6.2
95.08614	87.1
97.06522	7.6
97.10185	35.4
105.07021	25.4
107.01422	3.3
107.04974	3.9
107.08587	49.2
109.06518	7.8
109.10153	52.0
111.08052	5.2
111.11703	20.3
119.08594	22.8
121.10154	36.3
123.08051	9.6
123.11723	26.6
125.02366	41.8
125.06026	5.8
125.09651	3.2
125.13329	5.6
127.03911	34.0
129.07042	4.0
131.08572	14.4
133.10153	26.0
135.08037	5.4
135.11676	18.7
137.13266	17.8
139.03949	4.5
139.07558	15.4
145.10136	13.7
147.11702	20.7
149.09607	17.5
149.13254	24.9
151.07602	6.0
151.11215	4.2
151.14790	5.3
157.10043	4.4
159.11682	7.3
161.13264	17.0
163.14806	15.1
165.09146	5.9
165.12729	3.9
167.07117	5.7
169.08626	27.1
173.13248	7.0
175.14888	7.3
177.09085	26.8
177.16287	6.7
179.10622	4.1
181.08643	8.8
183.10197	8.1
185.13309	3.5
187.14873	6.5
189.16394	9.5
191.17961	19.5
195.10164	24.3
197.11691	3.7
199.14990	4.2
201.16394	9.3
203.17911	13.0
205.12102	5.0
205.19473	5.2
209.11801	4.4
217.19531	13.9
225.14801	4.7
229.15816	4.4
243.21288	3.4
251.16463	6.9
253.17873	6.1
257.22656	10.6
265.18094	5.5
315.10529	3.4
327.30627	5.3
335.25635	4.1
345.31610	12.1
355.29999	10.6
373.31122	34.2
391.32095	72.5
409.38498	38.5
431.14233	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2737
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03938	4.9
55.01878	3.3
55.05515	18.9
57.07067	8.4
59.05001	4.1
65.03934	2.6
67.05508	25.2
67.92924	1.9
69.03428	6.6
69.07056	9.2
70.52135	4.4
70.52488	3.0
71.05009	3.7
77.03943	2.1
79.05497	20.9
81.03427	3.3
81.07064	33.4
83.04978	7.8
83.08643	4.0
85.06522	3.0
87.88221	2.3
91.04968	3.1
91.05491	36.9
93.07053	45.5
95.04977	49.4
95.08617	36.1
97.06547	11.5
103.05446	4.4
105.07042	100.0
107.04926	2.4
107.08612	26.1
109.06567	13.5
109.10171	13.8
111.08082	4.4
115.05428	3.1
117.07011	14.4
119.04955	3.0
119.08591	63.2
121.06513	23.6
121.10165	18.2
123.08093	18.0
127.32619	2.2
128.06233	5.5
129.07002	5.5
130.07805	4.1
131.08562	22.3
133.06497	6.0
133.10132	21.6
135.08067	17.2
135.11740	5.2
137.09576	9.8
141.07008	4.2
142.07808	13.7
143.08586	20.7
144.09329	3.3
145.06415	3.3
145.10136	37.5
147.08046	15.7
147.11713	35.7
148.75150	2.6
149.09618	14.2
151.07562	23.5
155.08565	9.8
156.09312	6.6
157.10115	23.3
158.07121	2.5
158.10913	4.0
159.08051	7.0
159.11679	15.9
161.09636	8.2
161.13229	4.4
163.11209	5.1
165.09128	32.0
167.08582	4.2
168.09354	7.3
169.10104	12.3
170.10880	3.8
171.11690	11.9
173.09602	5.6
173.13310	11.2
173.52921	2.5
174.10307	3.1
175.11206	22.5
177.09175	4.5
179.08553	2.5
181.10187	7.4
181.12209	3.8
182.10843	4.0
183.11711	14.8
185.09636	3.2
185.13272	9.1
187.11143	5.4
187.14876	3.8
189.12741	11.1
191.14360	3.1
193.10251	4.1
195.11719	7.0
196.12489	4.3
197.13287	6.2
199.11211	3.7
201.12794	8.2
201.16269	2.3
203.14339	16.0
207.11789	4.8
207.13843	10.2
209.13293	4.2
209.15295	4.2
211.11377	2.6
211.14856	8.1
213.12750	4.5
213.16310	2.7
215.14261	3.2
219.13823	4.1
220.12418	2.5
221.13422	4.1
221.15364	68.0
223.14777	3.2
229.15886	6.8
233.15385	5.1
234.16202	10.7
239.14540	2.6
253.15968	5.0
286.19345	2.7
287.20078	9.8
300.20853	3.6
329.20929	5.0
335.20258	2.6
391.26166	9.8
409.27338	54.7
410.27646	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.5
53.03952	3.5
55.05513	18.8
57.07076	7.7
59.05001	3.0
65.03933	3.0
67.05505	17.5
67.77792	1.4
68.24799	1.5
69.03420	5.8
69.07081	8.5
69.57552	10.1
71.04983	1.6
71.08630	2.3
79.05497	18.0
81.03400	1.6
81.07062	31.0
83.04977	3.6
83.08609	3.7
85.06529	3.0
91.05490	33.8
93.07051	44.3
95.04973	45.6
95.08051	2.4
95.08614	30.5
95.52062	1.7
97.06535	5.2
97.10191	2.2
98.21536	2.8
103.05476	3.0
104.18548	1.7
105.07037	100.0
107.08611	26.5
109.06522	9.7
109.10165	8.7
111.08083	2.4
115.05445	2.6
116.06187	1.5
117.07022	10.9
119.04967	1.9
119.08588	64.7
120.09286	1.7
121.06525	13.6
121.10147	21.5
123.08060	12.3
123.11720	1.6
125.09650	1.8
128.06201	5.3
129.06996	7.0
130.07808	3.7
131.08571	19.9
132.09366	1.9
132.51007	1.6
133.06500	3.0
133.10150	17.1
135.08075	11.7
135.11685	8.0
137.09598	6.6
141.06973	4.2
142.07779	11.8
143.08586	11.1
144.09366	2.3
145.06648	1.5
145.10121	32.0
147.08066	15.1
147.11702	39.5
149.09624	11.4
149.13257	2.1
151.07562	14.1
153.06943	1.7
155.08565	6.3
156.09364	4.6
157.10153	16.3
158.10864	2.0
159.07973	3.4
159.11693	13.9
161.09650	4.3
161.13280	7.9
163.07585	1.8
163.11208	4.1
163.14821	2.4
165.09120	26.9
167.08583	2.5
168.09299	3.6
169.10152	7.7
171.11652	7.6
173.09607	4.3
173.13312	9.7
175.11198	30.4
175.14861	3.4
177.09117	2.6
177.16411	2.4
178.09904	3.2
179.08554	1.5
181.10150	2.9
182.10983	1.9
183.11806	7.0
185.09465	1.9
185.13287	4.9
187.11218	3.9
187.14844	6.4
189.12778	4.4
189.16431	4.7
191.14357	3.7
191.17987	3.2
195.11662	4.5
197.13283	4.3
199.14856	3.9
201.12828	9.1
201.16443	5.2
203.14339	11.1
203.17982	2.2
207.11873	1.5
207.13821	5.6
209.13292	3.5
209.15372	3.4
211.14783	3.2
215.14331	1.7
216.15089	1.9
219.13808	4.7
221.13551	1.8
221.15381	44.5
222.15666	2.2
225.16296	1.7
227.18007	2.0
229.15982	4.2
231.13736	3.4
233.15439	2.9
234.16145	12.7
267.17572	1.6
286.19348	2.8
287.20038	5.8
300.20877	3.6
329.20990	4.5
391.26486	2.6
391.33582	4.1
409.27380	32.4
409.34097	11.1
410.27591	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
53.06966	1.8
55.01870	2.7
55.05516	19.5
57.07077	11.4
59.05000	4.3
65.03948	2.8
67.05518	21.8
67.09711	1.8
67.16940	1.7
69.03434	7.4
69.07082	11.1
69.64108	12.5
70.06591	3.6
79.05495	23.1
81.03441	2.1
81.07069	36.7
83.04974	4.8
83.08633	3.7
85.06555	6.1
90.78891	2.3
91.04964	3.0
91.05492	32.2
93.07055	46.7
95.04980	47.6
95.08618	35.4
96.08946	2.5
97.06531	9.6
102.05551	2.5
103.05488	3.0
105.07040	100.0
107.08606	32.5
109.06540	11.8
109.10150	15.3
115.05502	4.0
117.07008	11.4
119.04974	3.1
119.08595	67.1
121.06525	23.3
121.10159	21.7
123.08096	17.6
123.11726	6.6
128.06252	7.0
129.06998	9.5
130.07829	3.6
131.08574	27.0
133.06503	2.2
133.10153	20.8
135.08064	14.8
135.11716	10.3
137.09612	8.3
137.13252	3.2
141.06999	5.6
142.07747	12.1
143.08568	16.3
144.09349	3.9
145.06430	3.1
145.10139	37.4
146.07329	2.5
146.10693	2.3
147.08054	15.2
147.11708	39.1
149.09634	12.7
149.13286	3.4
151.07587	19.7
151.76709	1.9
153.09088	2.4
155.08556	8.9
156.09349	4.6
157.10138	19.5
159.08090	6.2
159.11697	16.2
161.09662	10.1
161.13274	9.2
163.11174	5.9
163.14810	2.1
165.09158	25.2
167.08521	3.2
168.09351	4.1
169.10201	9.6
171.11700	11.0
173.09637	4.7
173.13255	7.8
175.11176	24.1
175.14874	4.4
177.09119	5.3
181.10168	3.2
181.12309	2.3
183.11713	10.1
185.09624	2.1
185.13307	5.5
187.11205	3.9
187.14853	7.2
189.12808	7.8
191.14410	3.7
191.17928	3.1
195.11717	4.1
197.13293	3.7
201.12775	9.5
201.16386	6.6
203.14337	11.8
207.11716	4.2
207.13835	12.4
209.13388	2.6
211.11272	2.1
211.14862	6.1
213.16463	2.5
219.13821	3.9
221.13470	2.2
221.15373	60.6
222.15746	2.9
223.11351	1.9
229.15894	4.0
231.13754	3.3
233.15436	4.4
234.16199	13.1
239.18011	2.1
247.14819	2.2
253.19609	2.0
273.18665	2.7
281.48065	1.9
286.19156	3.0
287.20041	7.2
299.20593	2.5
300.20859	3.8
329.21024	5.1
350.17017	2.1
391.26248	4.1
393.14795	2.0
409.27371	42.3
409.34427	7.9
410.27600	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.3
54.14245	1.8
55.01857	3.6
55.05515	18.7
57.07064	7.4
59.04993	3.1
65.03946	3.0
67.05511	25.7
69.03424	8.5
69.07059	11.0
69.21439	3.4
69.21848	17.7
71.05012	2.6
79.05495	27.3
81.07063	44.9
83.04977	5.4
83.08646	4.8
85.06525	3.2
88.78623	2.4
91.05485	43.8
92.01463	2.2
93.07050	50.0
93.07627	3.2
95.04976	55.0
95.08614	40.1
95.09174	4.0
97.06531	7.6
103.05477	4.9
105.04546	2.2
105.07040	100.0
106.66447	2.0
107.04936	3.4
107.08599	29.7
109.06511	14.5
109.10155	17.2
115.05502	3.4
117.07058	14.2
119.04971	3.8
119.08587	69.8
121.06523	19.0
121.10130	19.1
123.08083	19.3
123.11681	2.2
125.09626	2.7
127.03892	4.3
128.06235	6.7
129.07021	10.3
130.07784	5.0
131.08566	28.5
133.06496	7.7
133.10139	26.7
135.08081	12.9
135.11691	7.9
137.09634	9.3
141.06999	6.0
142.07791	15.5
143.08588	18.4
144.09412	5.6
145.06509	3.2
145.10133	39.2
146.07324	3.6
147.08029	14.3
147.11699	38.1
148.91296	2.4
149.09639	9.2
149.13303	3.3
151.07590	19.4
153.09102	2.5
154.07663	2.3
155.08583	7.8
156.09282	5.7
157.10120	26.8
158.10933	2.3
159.08054	5.2
159.11699	17.1
161.09616	9.7
161.13252	6.4
163.11160	3.4
163.14812	2.8
165.09119	30.7
167.08575	3.9
169.10104	13.3
170.10895	2.2
171.08087	2.2
171.11693	13.2
173.09659	5.6
173.13280	8.0
175.11220	22.5
175.14772	2.9
177.09203	3.5
178.09848	2.8
179.08609	2.4
181.10127	6.5
183.11714	11.7
185.09610	2.9
185.13312	5.4
187.11124	5.7
187.14812	5.4
189.12782	9.2
191.14398	2.6
195.11691	5.9
197.13283	4.5
199.11275	2.9
199.14909	3.0
201.12740	6.3
201.16435	3.3
203.14352	13.6
207.11859	3.4
207.13824	9.5
209.13287	3.3
209.15225	2.5
211.14787	4.6
213.12807	2.9
215.14381	3.2
219.13806	4.0
221.13373	4.1
221.15372	67.2
223.14813	3.4
225.16306	5.1
227.14311	3.0
229.15916	7.3
231.13869	4.0
233.15411	3.7
234.14211	2.6
234.16182	15.8
255.21262	2.4
286.19290	3.1
287.20120	7.0
300.20901	7.8
329.21048	8.5
391.26132	5.3
393.09897	3.4
394.10571	3.8
407.11191	4.5
408.12000	6.1
409.08551	2.3
409.13068	40.6
409.22421	3.7
409.27362	43.4
409.34625	8.0
410.13678	11.5
418.05972	2.5
427.14011	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05495	0.9
57.03427	0.5
67.05511	0.5
69.03416	0.8
69.07055	1.4
69.45867	0.9
69.46265	2.9
70.06590	2.9
72.08148	1.9
78.64722	0.5
79.05510	1.1
81.03405	0.6
81.07066	1.2
83.08604	0.6
84.04509	0.9
84.08147	1.3
85.02902	1.2
85.06504	0.5
86.09677	1.5
89.03947	0.5
91.05480	1.9
93.07056	1.0
95.04967	0.6
95.08607	1.1
97.02883	1.0
97.06532	6.2
98.21523	0.8
98.97587	0.5
105.07041	0.9
107.04958	0.5
107.08669	1.0
109.10173	0.9
110.07182	0.5
116.01664	0.8
116.07109	0.6
118.01212	0.4
119.04980	0.5
119.08581	1.7
120.08114	0.7
121.06503	0.7
121.10185	0.4
123.11783	0.5
133.06445	0.4
133.10132	0.9
135.04457	0.6
135.11656	0.4
136.07578	1.6
136.78674	0.4
137.05956	0.5
145.10143	0.5
146.05991	1.0
147.04434	1.1
148.04738	0.6
151.03845	0.5
159.04466	0.5
159.08301	0.7
161.02344	1.5
162.02158	0.9
162.05504	1.1
163.03908	3.3
173.02386	1.7
175.14824	1.7
177.05606	0.5
187.05106	0.6
193.15903	0.8
201.06651	0.6
203.05295	0.6
211.17117	0.7
213.57991	0.6
215.07051	3.9
231.10188	0.7
243.07692	1.3
247.05588	0.7
257.09204	0.7
259.09668	6.1
262.11041	1.0
264.09985	0.7
284.92355	0.5
285.08627	1.8
289.08179	1.0
297.08844	0.7
313.08087	2.1
315.09857	0.9
331.09210	2.3
331.12769	0.9
349.10248	3.3
359.08560	1.1
377.09909	0.5
391.11392	0.8
409.11810	5.4
409.18329	100.0
410.13232	0.5
410.18448	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
55.05518	23.6
56.05037	1.7
56.05843	5.3
57.05348	1.4
58.99588	13.4
59.99903	1.4
61.01101	1.3
69.03443	1.1
70.06584	2.5
71.14086	1.7
72.08141	3.3
73.01110	1.5
76.02237	5.8
76.03987	3.1
78.01794	2.3
81.07026	3.3
83.06121	1.5
83.08628	22.7
84.04510	16.7
84.08136	2.5
84.08945	13.5
85.04828	5.0
86.99070	10.3
87.99418	1.4
88.02198	2.1
91.56062	1.0
97.02888	1.4
97.06536	2.8
98.09680	1.6
102.05544	2.0
110.47428	1.1
115.05727	1.2
116.01681	39.4
117.02065	11.3
118.01228	3.2
120.08112	1.5
129.06610	4.1
130.05002	5.2
142.03180	2.0
144.01154	17.4
145.01579	6.5
145.06078	1.2
146.00684	1.7
156.08398	1.2
159.08392	15.6
160.08723	11.3
162.02216	60.8
163.02574	28.3
164.01741	3.6
166.55779	1.2
177.09358	1.4
177.21078	1.2
198.07759	1.8
199.08786	1.7
211.08679	4.3
213.10310	3.1
215.06989	2.3
215.11909	1.3
217.09648	1.9
225.10190	4.0
227.08270	1.4
229.09798	2.3
239.08125	6.1
239.11826	3.0
240.08847	1.7
241.09769	5.4
243.07613	1.3
243.11400	7.4
253.09731	7.8
257.09262	2.6
259.10645	4.0
260.11453	1.4
261.10971	3.8
262.11066	23.9
263.11435	30.0
267.07684	3.1
267.11285	3.9
268.08398	5.5
271.10779	27.6
273.12402	1.4
275.10165	2.4
277.11774	4.6
279.13736	4.6
280.14066	10.3
281.09146	2.4
285.08667	2.9
285.12289	4.1
289.11777	2.7
295.10754	4.0
300.10971	1.4
303.13092	1.3
313.11823	6.8
317.11456	2.9
323.10349	6.6
327.13336	1.4
333.14816	2.2
334.15210	12.5
335.12387	3.2
341.11310	16.3
341.66071	1.1
345.14420	3.0
349.14261	1.4
350.29800	1.4
355.12820	3.9
359.12344	3.6
373.13934	13.2
391.10370	1.7
391.15009	23.7
409.16040	100.0
410.16418	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	408.2747
Annotation	Blacknidine
Peak:m/z	Relative Intensity
50.82462	0.9
51.57428	0.9
53.03962	0.9
55.05515	4.8
55.05724	0.9
56.05029	3.9
57.04328	0.9
57.69958	1.0
64.73058	1.0
67.05511	13.0
69.07063	4.8
70.06602	1.6
70.61732	1.9
70.62132	2.2
70.71863	0.9
73.67757	1.0
79.05492	13.5
81.07059	17.7
83.08610	1.8
84.04506	100.0
85.02903	2.3
91.05467	7.2
93.07042	17.1
95.04952	2.0
95.08607	12.9
100.07607	2.0
102.05543	35.1
105.07026	8.8
107.08591	11.9
109.06527	1.0
109.10166	5.4
117.07007	3.0
119.08582	6.9
121.10131	9.1
123.11713	4.0
129.07002	1.1
130.05008	66.6
130.08606	1.6
131.08583	4.6
133.10146	5.4
135.11668	6.8
137.13188	1.0
143.08589	1.0
145.10172	5.2
147.11693	3.7
148.06052	80.0
149.06377	1.6
149.13246	5.1
154.08655	3.0
159.11679	2.8
161.13275	2.7
163.14810	3.1
173.13248	3.4
175.14783	1.1
177.16396	1.9
187.14900	1.6
194.11844	2.1
201.16379	1.4
243.21159	3.8
261.22150	12.7
316.22803	5.8
317.24716	2.4
408.28717	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50995	2.4
55.05507	4.0
57.07081	37.5
59.05004	14.6
62.60583	2.7
64.47655	2.1
67.05502	5.6
69.07072	5.3
69.24899	26.0
69.34885	2.1
71.08640	26.3
79.05478	3.2
81.07058	10.1
85.10189	25.6
89.06041	81.3
91.05459	3.3
93.07061	4.7
95.08627	8.4
96.08954	3.2
99.11727	3.7
105.07037	9.2
107.07078	8.8
107.08637	4.8
109.10164	7.9
110.10464	3.0
113.00026	18.8
117.09158	5.9
119.08602	4.1
121.10143	4.5
133.08606	38.2
133.10115	2.9
135.70007	2.3
138.56076	2.5
145.10155	3.6
146.64229	2.5
151.09663	6.1
169.02673	12.7
170.02975	6.0
177.11234	7.0
195.12300	100.0
213.22179	4.0
223.76559	2.5
271.26434	4.8
327.60309	2.6
391.34116	4.8
408.37204	14.2
409.35010	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94320	1.4
55.01867	5.5
55.05489	4.3
57.03429	4.2
63.15368	1.3
67.05502	3.1
69.03417	2.9
69.07083	7.5
69.07405	1.3
70.06602	9.7
71.04996	1.9
72.08161	12.9
79.05508	7.5
80.25510	1.4
81.03401	4.3
81.07032	3.0
83.04995	1.8
84.08124	3.0
85.02901	4.1
86.09708	9.7
89.03905	2.5
91.05469	5.3
93.07028	2.3
94.06574	2.1
95.04964	3.6
97.02896	3.1
97.06540	47.7
98.20702	2.5
98.33233	1.5
100.07612	1.6
107.04942	2.6
107.08586	2.0
109.02886	3.1
114.09129	1.9
117.03391	2.4
119.04945	3.7
119.08518	1.3
120.08078	6.5
121.02856	2.6
123.04432	2.4
124.03933	1.4
124.07572	2.8
127.03910	4.5
131.04910	2.3
132.10170	1.5
133.02847	1.7
135.04430	8.2
136.07593	15.8
142.50998	1.4
145.02834	3.3
147.04393	10.1
148.04791	3.7
149.02365	2.0
154.04993	2.3
159.04381	3.4
159.11317	6.7
160.07564	2.4
161.01175	1.8
161.02293	10.5
161.05899	2.4
163.03911	20.9
166.08691	2.5
173.02342	16.4
173.07137	2.0
175.07571	2.3
177.05368	1.9
187.05043	13.0
189.05440	2.6
189.12410	2.2
190.08659	2.0
193.09747	7.8
195.07971	2.8
197.07230	3.1
198.07909	1.9
200.07123	2.4
201.06572	6.9
202.07312	2.7
203.10669	1.7
205.09824	1.6
211.05045	3.4
211.08679	7.0
213.06680	2.7
213.08922	2.5
215.07027	16.6
215.08440	5.4
217.06163	1.7
221.09203	2.5
223.10757	1.7
225.06581	6.1
226.07347	3.1
227.08142	3.4
229.06270	9.5
230.06779	1.8
231.07703	2.7
231.10176	6.4
233.09163	5.0
239.08182	16.9
241.06018	2.4
241.09618	4.4
243.07661	27.0
245.09102	1.8
247.10834	1.9
251.10359	2.5
253.06107	6.1
254.06877	4.1
257.09201	16.5
259.07117	3.4
259.09634	29.2
261.08710	12.7
262.08792	1.6
262.12857	1.8
267.07660	15.6
268.08194	2.1
269.09235	9.5
271.07150	21.8
273.08722	5.5
285.08691	55.1
286.09219	1.7
287.10165	3.3
289.08197	39.7
295.07077	6.5
297.08734	11.9
303.09769	16.2
305.10529	1.5
307.09286	7.8
313.08215	69.0
314.08560	2.8
315.09738	25.2
317.07870	2.0
321.05969	1.8
331.09265	100.0
332.09879	2.4
333.10809	21.9
335.08563	1.8
341.07730	5.5
349.10312	89.1
350.10620	2.1
359.08749	20.4
367.11383	16.5
373.10468	1.6
377.09802	37.7
391.11307	33.2
391.19370	2.4
395.10843	1.5
409.12305	52.2
409.18121	3.7
410.12604	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	408.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85985	1.1
53.03935	2.2
55.01881	3.2
55.05510	4.3
57.03418	2.1
61.02923	2.1
62.91163	1.1
64.40498	0.9
67.05508	12.2
69.03434	4.8
69.07065	8.6
70.71135	2.3
70.71497	1.7
71.01810	1.0
71.04971	2.6
72.90152	1.0
75.01310	1.0
79.05503	7.2
81.03405	2.9
81.07063	42.0
83.04980	4.0
83.08620	4.2
85.02902	14.9
85.06557	2.3
91.03954	1.2
91.05487	11.7
93.07055	6.6
95.04959	1.3
95.08602	9.5
97.02898	6.1
97.06548	4.2
99.08086	1.8
105.07034	20.3
107.08594	8.8
109.02872	1.1
109.06525	2.9
119.07773	2.0
119.08576	18.0
121.10155	15.1
123.08073	2.3
123.11716	24.5
124.22838	1.1
127.03893	2.6
127.07534	4.1
137.13301	1.9
143.76164	1.3
145.04970	3.9
147.11697	64.2
148.12018	1.4
154.68315	1.2
157.10112	1.3
165.12764	48.7
175.11221	1.8
180.08681	4.7
183.13812	20.9
193.12280	5.7
211.13277	10.1
221.57896	1.3
229.14371	100.0
277.88422	1.1
307.97595	1.1
324.35742	1.2
408.37225	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2128
Annotation	Glu Leu Phe
Peak:m/z	Relative Intensity
54.50846	1.1
55.05499	1.5
56.05034	2.7
68.05023	4.9
69.05811	3.0
69.07076	3.4
70.06589	5.4
70.76554	2.5
70.76907	1.3
72.08166	6.7
79.05484	2.3
81.07034	1.8
84.04510	48.2
84.08148	2.9
85.02921	3.5
86.09711	100.0
91.05481	3.2
93.07076	1.9
95.05024	1.5
96.04482	2.1
97.02927	1.7
97.06535	8.2
98.09682	1.7
98.21487	1.3
102.05555	22.4
103.05457	3.7
105.06973	1.3
107.04961	1.8
110.07183	1.7
113.07107	2.7
115.08673	1.3
119.04891	2.8
120.08115	91.4
129.06589	8.4
131.04953	1.7
132.10216	1.7
135.04395	1.8
136.07614	5.5
139.03833	1.5
141.06598	6.1
147.04391	4.3
149.06012	2.0
150.07712	2.3
152.10689	3.9
161.05934	3.6
163.03911	4.9
166.08649	65.6
167.09036	1.8
167.36916	1.2
170.11787	8.0
174.09149	2.1
181.04996	1.7
186.09207	1.5
196.46577	1.3
197.11171	2.2
197.12865	27.1
203.07050	3.2
215.06979	1.8
215.13919	57.0
220.09691	2.0
225.12331	8.5
231.11031	1.2
243.13374	11.9
249.12288	4.2
249.16177	1.4
259.09824	3.2
277.10849	1.5
279.17050	3.6
287.08868	1.4
311.12830	1.3
408.21509	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	408.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05514	28.3
56.05051	1.0
58.99585	14.5
61.01160	1.3
64.43741	0.8
70.24197	2.7
73.01151	1.3
76.02235	5.6
76.03995	3.6
78.01818	0.8
81.07037	2.3
83.06119	1.4
83.08625	40.6
84.04513	18.1
85.01128	1.3
86.98596	1.0
86.99059	11.1
88.02206	3.2
98.09688	1.0
98.21403	1.1
99.05604	1.0
101.09634	2.1
107.08614	1.0
115.05760	1.0
116.01685	52.6
129.02266	0.8
129.06581	3.5
129.07402	1.5
130.05017	4.2
141.07320	1.4
142.03217	3.4
144.01147	26.7
145.06053	1.7
159.07054	1.0
159.08400	38.2
162.02213	100.0
163.02583	1.3
176.11044	4.8
181.06102	1.0
187.07886	1.2
205.08958	1.0
244.09947	1.6
261.10822	2.3
262.11099	48.1
263.11414	1.2
279.13788	20.7
307.94055	0.8
333.14807	10.0
357.73718	1.0
391.15036	1.1
408.18015	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	408.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01657	0.8
55.05514	32.9
56.05040	1.6
57.78873	0.7
58.99592	16.5
61.01145	1.3
63.05486	0.7
64.17709	0.7
67.18502	0.6
69.54266	0.7
70.06606	0.8
71.19691	1.7
73.01128	1.9
76.02232	7.3
76.04018	3.8
81.07038	2.3
83.06106	1.5
83.08625	39.7
84.04510	23.3
85.01127	1.3
86.99053	11.3
87.02686	0.7
88.02206	3.5
99.05557	1.6
101.09641	1.9
102.05598	1.1
103.02187	1.2
107.08681	0.7
113.04317	0.8
115.05772	1.5
116.01682	56.5
129.06590	2.7
129.07404	1.3
130.05008	5.2
141.07330	1.3
142.03230	3.5
144.01149	23.9
145.06099	1.8
156.10172	1.0
159.07039	1.1
159.08401	37.5
162.02211	100.0
163.02588	0.8
170.02672	1.1
176.11089	4.2
179.04970	1.0
181.06085	1.4
187.07855	1.7
199.07179	0.9
202.18051	0.7
205.08830	1.3
244.10014	1.8
245.05916	1.1
261.10886	2.6
262.11099	44.1
263.11365	0.7
279.13763	18.3
333.14819	9.9
390.17307	0.8
408.17923	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	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
52.83320	1.4
55.05515	10.0
57.07064	5.3
58.22051	1.2
67.05508	13.8
69.07072	29.6
69.25367	15.3
71.08622	1.9
76.75013	1.5
79.05505	7.1
81.07065	31.2
82.63307	1.5
83.08627	8.3
91.05475	6.8
93.07045	12.4
95.08612	37.6
97.10172	3.1
98.21117	7.4
105.07044	17.1
107.08611	22.4
109.10167	34.1
109.10915	1.6
111.11729	4.0
112.99992	2.4
116.07414	1.4
117.07001	3.0
118.90891	1.3
119.08588	18.2
121.10162	15.6
123.11716	23.3
131.08612	6.7
133.10139	14.2
135.11693	15.2
137.13280	12.0
143.08549	4.5
145.10135	10.6
147.11690	10.3
149.13263	8.9
149.66681	1.4
157.10156	7.5
159.11690	10.0
161.13297	12.7
163.14807	5.1
165.16553	1.7
169.02638	2.7
169.15823	1.4
171.11716	6.6
173.13271	10.7
175.14851	8.1
177.16356	3.0
183.11688	3.5
185.13275	7.5
187.14848	9.2
189.16397	9.5
191.17958	6.2
197.13303	4.6
198.92952	1.5
199.14774	7.8
201.16362	7.4
203.18025	6.8
205.19464	2.1
211.14822	4.8
213.16385	5.7
215.17987	7.8
217.19537	4.8
220.11746	1.3
225.16420	3.1
226.17294	2.0
227.17946	7.5
229.19571	4.8
229.55505	1.4
231.21043	2.0
239.17894	2.8
241.19548	7.1
243.21008	3.0
245.22725	1.9
253.19531	5.6
255.21140	5.8
257.22662	3.9
269.22690	10.9
271.24167	3.0
281.22687	5.0
283.24246	4.9
295.24173	4.5
296.24930	2.9
297.25745	10.8
311.27258	1.4
323.27444	2.3
325.28909	6.7
337.28915	5.2
351.30411	3.4
365.32175	1.7
384.36401	1.8
407.36740	100.0
408.37048	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03948	2.3
55.05507	10.0
57.07081	7.7
67.05508	19.0
67.64371	1.1
69.03413	1.8
69.07069	19.9
69.84595	2.7
69.85012	4.1
71.08647	1.7
73.55137	1.0
76.68802	1.2
79.05497	8.6
81.02069	1.1
81.07060	40.8
83.08624	10.6
85.10192	1.6
85.63248	1.1
86.06068	3.7
88.39217	1.3
89.06079	1.2
91.05476	9.1
93.06470	2.0
93.07051	20.5
95.04992	1.6
95.08610	59.8
96.08129	5.0
97.10166	5.5
100.42346	1.3
103.32161	1.2
105.07038	18.9
107.07878	1.6
107.08596	26.0
109.10168	40.1
109.10920	1.9
111.11721	2.2
117.07005	3.5
118.70659	1.1
119.08583	22.8
121.10143	25.4
123.11720	15.1
129.07039	1.9
131.08560	14.2
133.10135	15.7
135.11707	16.3
137.13290	10.5
143.08571	4.4
145.10138	19.8
147.11703	16.8
149.13242	16.2
151.14848	1.6
155.08673	1.2
156.10228	11.9
157.10147	7.4
158.10794	1.4
159.11699	18.4
161.13261	13.0
163.14763	5.8
163.45009	1.1
166.74118	1.4
169.10036	1.3
170.11122	1.1
171.11708	6.6
173.13258	9.7
175.13525	1.5
175.14825	7.2
177.16418	4.3
181.09816	1.3
183.11659	2.4
185.13281	3.8
185.34546	1.2
187.14853	10.7
189.16379	10.7
191.17955	13.6
199.14873	4.8
201.16409	14.6
203.17993	13.3
205.19514	5.8
213.16380	6.9
215.17946	12.1
217.19560	8.3
225.16418	1.5
227.17967	4.0
229.19525	6.8
239.17894	1.8
241.19537	4.4
243.21112	5.1
245.22862	1.2
249.40576	1.2
253.19438	2.3
255.21107	6.7
257.22668	14.4
267.21234	1.7
269.22665	15.5
271.24258	1.9
281.22458	1.7
283.24280	4.6
295.24161	2.1
297.25656	3.0
299.27448	1.5
309.25821	2.0
323.27252	3.3
325.29095	1.8
337.29181	2.6
351.30359	5.8
362.23376	2.1
407.36758	100.0
408.27441	2.5
408.37125	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	407.3676
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05513	11.0
57.07081	9.8
62.34283	1.6
62.76369	1.5
65.03937	2.4
67.05506	21.7
67.05837	3.0
69.07074	27.2
71.08607	3.8
71.55880	2.2
71.65734	1.7
79.05500	11.3
81.07068	43.9
83.08606	11.2
91.05483	12.4
93.07057	29.9
95.04978	5.9
95.08617	71.8
96.08952	3.0
97.10189	6.8
98.09708	2.0
105.07038	26.1
107.08604	38.4
109.10170	39.5
111.11764	3.5
117.07013	5.3
119.08594	29.1
121.06512	2.0
121.10149	32.8
123.11720	18.4
129.07045	3.2
131.08595	12.7
133.10146	19.6
135.11703	20.4
137.05966	2.2
137.13293	16.0
141.07036	1.8
142.07828	1.7
143.08607	8.4
145.10133	23.0
145.11148	2.2
147.11722	20.2
149.13286	14.6
151.14806	2.1
157.10138	11.6
159.11699	20.4
161.13271	17.9
163.14888	9.7
169.10208	3.7
171.11736	11.3
173.13289	15.2
175.14790	10.4
177.16420	7.6
181.10104	2.2
183.11787	3.7
185.13228	10.6
187.14825	14.8
189.16360	9.5
191.18007	15.4
197.13272	4.5
199.14896	9.1
201.16437	13.8
203.17972	16.5
205.19618	3.8
211.14861	4.1
213.16412	7.6
214.17197	2.3
215.17963	12.5
217.19560	6.6
221.53758	2.1
225.16510	2.7
227.17984	5.7
229.19560	10.5
231.21248	3.3
241.19475	2.9
243.21188	4.7
249.18509	24.9
253.19373	2.7
255.21080	9.2
257.22650	28.3
269.22739	15.2
271.24292	4.1
281.22656	2.2
283.24249	4.5
295.24136	4.1
297.25980	2.8
308.32922	2.4
311.27628	2.2
316.22842	5.0
337.28870	2.8
351.30579	2.3
407.36853	100.0
408.36954	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03934	1.6
55.05519	12.8
55.82167	1.5
57.07056	5.7
57.09674	1.4
66.62555	1.5
67.05180	1.6
67.05509	21.8
69.07078	22.8
70.18148	3.2
70.18543	2.5
71.08611	1.8
72.08151	4.4
79.05494	11.4
81.07063	49.0
83.08627	12.2
89.06181	1.3
91.05481	11.0
91.18468	1.5
93.07051	28.8
95.04951	3.4
95.08614	85.1
97.10160	6.0
105.07030	28.4
107.04945	1.6
107.08602	38.2
109.10165	47.4
110.10530	1.3
111.11714	4.3
117.06995	4.1
119.07796	2.5
119.08588	33.7
121.10152	36.3
123.11723	25.8
129.06990	2.0
131.08574	9.8
133.10136	30.1
135.11693	22.5
137.13239	20.1
143.08556	4.7
145.10120	18.3
147.11696	23.2
149.13263	20.5
157.10141	4.5
159.11720	23.3
161.13278	20.6
163.14824	13.4
165.16322	1.6
169.10098	1.7
170.11769	2.2
171.11731	5.2
173.13232	10.8
175.14871	12.7
177.16420	18.2
179.17879	2.6
183.11656	2.2
185.13278	4.3
187.01735	1.5
187.14847	12.4
188.30887	1.7
189.16385	18.2
190.59650	1.9
191.17952	15.9
199.14847	4.1
201.16397	22.6
203.17961	26.8
205.19505	7.2
206.05493	1.6
213.16328	2.4
215.18034	13.2
217.19572	19.8
227.17947	5.8
229.19498	13.5
231.21069	6.1
241.19502	4.9
243.21165	7.0
255.21040	13.1
257.22601	9.3
269.22656	11.7
271.24136	4.5
272.81540	1.4
283.24194	5.2
296.18417	2.2
297.25729	5.0
311.27335	1.8
365.32220	1.8
407.27744	4.2
407.36728	100.0
408.27350	4.0
408.36740	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	407.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.05510	10.5
57.07061	4.3
63.74694	1.1
67.05508	19.3
69.07074	19.4
71.08630	1.3
71.14662	2.0
79.05496	9.5
81.07061	40.8
83.08634	9.8
91.05489	8.1
93.07046	18.7
95.08614	75.3
96.08910	1.3
97.10169	5.0
105.07039	20.2
107.08607	35.4
109.10165	45.4
111.11703	4.3
117.07018	3.7
118.82296	1.2
119.08586	25.4
121.10152	33.0
123.11716	22.2
129.07002	1.8
131.08582	7.3
133.10135	26.4
133.56351	1.3
135.11714	19.6
136.33902	1.2
137.13254	14.7
143.08539	3.7
145.10127	15.1
147.11687	17.9
149.13254	14.7
151.14847	2.3
157.10106	4.0
158.10809	1.9
159.11728	15.8
161.13275	21.3
163.14830	14.1
165.16365	1.2
169.32262	1.1
171.11652	5.7
173.13280	9.9
175.14862	11.6
177.16403	15.4
179.17900	1.8
185.13249	3.0
186.14175	1.7
187.14812	9.6
189.16382	18.1
191.17969	15.5
197.13335	1.4
199.14807	4.8
201.16394	17.1
202.60670	1.3
203.17978	24.7
205.19551	9.4
211.14914	1.9
213.16434	3.7
215.17917	10.1
217.19540	18.1
219.21107	1.9
227.17993	5.0
229.19508	11.7
231.21111	5.1
241.19487	4.2
243.21068	5.9
245.22585	2.2
255.21080	12.1
256.89536	1.2
257.22705	7.7
269.22687	9.5
271.24432	2.1
283.24219	3.8
297.25784	4.6
307.73019	1.2
311.27136	2.0
312.74127	1.2
323.27112	2.4
337.28979	1.5
351.30292	1.5
365.32001	1.8
407.36734	100.0
408.37076	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	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03957	2.2
55.05513	10.2
56.10078	1.4
57.07074	6.2
64.30825	1.6
67.05513	21.1
69.07069	20.0
69.75720	9.0
72.08131	1.5
79.05489	9.8
81.07065	39.9
82.85491	1.5
83.08611	8.7
91.05478	9.1
93.07050	23.0
95.08612	80.2
97.10176	5.8
98.83860	1.4
105.07030	24.5
107.08600	34.4
109.09459	3.0
109.10160	44.7
111.11710	2.6
115.24489	1.5
117.07000	3.0
119.07788	2.6
119.08594	31.6
121.09296	3.1
121.10143	34.2
123.11723	23.1
129.07031	2.9
131.08582	6.2
131.09523	1.1
133.10133	30.6
135.11696	24.9
137.13258	16.1
137.43100	1.3
143.08569	2.3
144.09373	1.7
145.10124	12.6
147.11714	21.0
149.13266	17.5
151.14835	2.5
155.08763	1.6
157.10158	4.7
159.11681	15.1
161.13278	15.9
163.14803	12.1
171.10353	1.4
171.11732	6.3
173.13284	12.1
175.14842	10.2
177.16418	13.1
179.17970	3.1
185.13272	3.6
187.14836	10.0
189.16406	20.8
191.17957	15.9
199.14835	6.0
201.16389	16.9
203.16118	1.0
203.17972	27.8
205.19551	5.4
213.16454	4.7
215.17944	12.8
217.19542	18.2
225.16435	1.8
227.18060	4.3
229.19557	10.3
231.21083	3.4
241.19498	4.1
243.21068	7.3
245.22633	3.4
255.21204	12.9
257.22717	8.7
269.22635	13.3
271.24268	4.1
283.24219	5.6
297.25894	3.3
407.24472	5.8
407.36731	100.0
408.36841	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05516	10.7
57.07084	6.5
59.19134	1.0
59.80199	1.2
67.05174	1.3
67.05510	16.4
69.07075	16.7
71.08600	1.3
71.20185	1.7
71.20522	1.7
79.05495	10.4
81.07063	44.8
83.08620	8.7
91.05493	8.1
93.07053	18.3
95.08614	70.6
95.99918	1.0
97.10169	5.7
105.07047	21.5
105.76271	1.1
107.08598	37.1
109.10161	42.8
111.11732	3.1
117.06998	3.1
119.07793	2.0
119.08588	26.8
121.10164	25.8
123.11706	21.4
129.06921	1.2
131.08562	6.8
133.10141	24.0
135.11707	19.3
137.13258	15.9
143.08592	3.7
145.10124	14.0
147.11690	17.1
149.13272	15.8
151.14818	3.5
157.10138	5.1
159.11696	14.9
161.13271	19.1
163.14822	11.8
171.11676	4.0
173.13269	10.0
175.14850	10.9
177.16388	16.2
179.17981	2.7
185.13286	3.8
187.14885	8.9
189.16400	15.6
191.17960	14.6
199.14847	4.9
201.16391	17.9
203.17986	25.4
205.19543	6.0
211.14824	1.3
211.42456	1.1
213.16383	4.7
215.17993	11.3
217.19521	13.7
219.21147	1.7
226.17027	1.5
227.17986	4.4
229.19527	11.3
231.21051	5.7
241.19603	4.3
243.21140	6.8
245.22597	2.3
255.21091	11.6
257.22614	10.7
269.22675	12.6
271.24261	3.5
283.24255	4.9
285.25696	1.1
297.25726	4.1
311.27179	1.8
323.27417	3.4
337.29025	2.0
364.31180	1.3
365.32285	2.3
407.36749	100.0
408.37033	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	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03942	2.3
55.05515	13.2
57.07075	6.6
67.05171	2.6
67.05515	25.1
69.07073	50.9
71.33286	3.1
79.05499	14.6
79.43576	2.5
81.07063	79.2
83.08612	11.4
91.05467	12.2
93.07048	25.9
95.08617	59.6
95.09145	1.8
97.10168	6.4
105.07040	29.6
107.08607	42.0
109.10168	40.1
111.11734	3.9
113.00023	3.9
117.06988	3.6
119.08597	38.9
121.10143	26.5
123.11719	21.3
129.06982	2.5
131.08601	13.2
133.10139	22.0
135.11699	19.1
137.13243	12.6
143.08574	6.1
145.10143	22.7
147.11678	22.6
149.13315	13.5
157.10147	13.1
159.11702	23.4
161.13281	19.8
163.14893	9.5
169.10147	3.4
171.11699	13.2
173.13251	16.6
175.14813	9.6
177.16405	11.3
183.11769	2.8
183.75575	2.5
185.13277	8.0
187.14798	12.9
189.16423	9.0
191.18033	4.0
199.14799	5.8
201.16374	11.1
203.18034	9.8
205.19505	2.8
213.16426	8.5
215.17949	9.6
217.19579	5.5
227.17973	6.8
228.24133	2.0
229.19466	11.3
231.21100	3.3
239.18071	3.4
241.19551	5.9
243.17221	2.1
243.21089	3.4
255.21158	5.2
257.22711	6.7
269.22653	6.3
271.01111	2.4
271.24222	4.0
281.22672	2.4
283.24365	6.0
295.24234	2.7
297.25821	6.8
318.40765	2.2
325.29037	5.1
337.28827	3.4
351.30493	4.9
407.36774	100.0
408.37231	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	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03947	1.4
55.05516	12.7
57.07069	4.5
57.43575	1.2
67.05509	21.8
69.07072	25.0
70.41843	4.4
75.14086	1.1
79.05495	11.6
81.07065	48.6
83.08627	10.6
91.05473	10.1
93.07061	23.7
95.04940	2.5
95.08616	88.4
97.10181	7.0
101.93302	1.1
105.07039	27.2
107.08604	40.2
109.10165	56.7
111.11720	3.5
117.07030	3.6
119.08592	35.1
121.09312	2.4
121.10155	34.8
122.38589	1.1
123.11723	26.4
131.08586	9.7
133.10146	33.8
135.11694	22.0
137.13263	18.6
143.08580	4.3
144.09366	2.2
145.10118	17.1
147.11694	21.8
149.13264	18.5
151.14862	2.9
154.35298	1.2
157.10161	5.1
157.65118	1.2
158.10912	2.0
159.11700	19.1
160.12477	1.8
161.13269	19.7
163.14835	11.4
170.14696	1.4
171.11716	4.7
173.13263	12.7
175.14859	11.3
177.16408	14.2
179.18002	1.8
183.11691	1.5
185.13283	5.2
187.14882	8.1
189.16405	19.5
191.10840	1.2
191.17961	16.1
197.13362	1.4
199.14856	4.9
201.16411	14.8
203.17958	21.5
205.19536	6.7
213.16400	4.5
215.17950	13.5
217.19551	23.6
227.17970	7.3
229.19441	10.5
229.21204	1.1
231.21094	5.2
241.19534	5.8
243.21115	7.4
245.22711	1.6
255.21068	12.8
257.22650	11.8
269.22665	12.2
271.24310	3.7
283.24271	4.6
297.25748	3.5
311.27304	2.7
323.27417	2.1
351.30545	1.7
407.24362	12.8
407.36746	100.0
408.37033	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	407.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	18.1
57.06861	1.8
57.07090	19.5
67.05516	9.6
68.79138	1.5
69.07082	27.2
71.08633	14.7
71.22431	2.9
79.05496	5.1
81.07066	26.8
83.04989	1.6
83.08639	15.4
85.10204	7.6
89.06018	3.7
89.11455	1.5
89.96732	1.7
91.05495	4.2
93.07054	7.2
95.04974	2.9
95.08614	23.9
97.10194	10.6
99.04466	77.3
105.07043	7.3
107.08613	6.6
107.87410	1.5
109.06540	7.4
109.10177	10.4
111.11733	6.3
113.06039	5.5
119.08596	7.7
121.06568	2.4
121.10155	4.9
122.25384	1.7
123.08078	5.9
123.11736	6.7
125.06009	100.0
125.13292	3.4
131.08586	2.8
133.10159	5.8
135.08076	2.3
135.11702	2.4
137.05998	7.2
137.09700	1.8
137.13313	2.3
139.07559	2.1
141.05748	1.5
143.08614	1.9
144.80327	1.7
145.10118	2.1
147.11732	4.2
149.09645	1.8
149.13293	2.3
151.07550	3.0
151.11159	2.5
151.14900	2.5
153.09113	1.7
157.10153	1.7
159.11797	2.5
161.09668	3.8
161.13336	2.5
165.09157	2.1
171.11774	2.1
173.13341	2.3
175.11198	6.5
177.12779	3.1
179.10719	3.2
179.14439	2.4
181.12260	1.8
189.12703	3.6
193.12302	7.1
207.13731	1.8
255.00937	1.6
268.34607	1.6
289.54462	1.9
299.51724	1.6
334.07541	1.7
365.34235	7.0
371.33102	8.3
389.34183	72.4
390.34674	2.7
395.21851	1.8
407.35410	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	407.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01861	2.0
55.05517	18.9
55.24211	1.1
57.03435	1.3
57.06833	1.6
57.07083	20.7
67.05505	13.8
69.07075	33.2
69.29078	11.0
71.05004	2.1
71.08638	12.5
79.05499	8.6
81.07066	37.4
83.04964	3.3
83.08628	23.6
85.10191	7.4
89.06033	1.6
89.23271	1.1
89.87238	1.0
91.05476	6.7
93.07043	15.3
95.04982	2.4
95.08612	41.7
96.08950	1.1
97.10180	13.1
99.04462	75.1
100.89461	1.0
105.07038	13.8
107.08597	17.2
109.06525	5.0
109.10162	25.1
111.04443	1.9
111.08096	1.3
111.11736	6.6
113.00003	4.7
113.05999	4.0
117.07017	2.1
119.08583	14.5
121.06536	2.1
121.10155	13.4
123.08089	5.3
123.11729	9.0
125.06004	100.0
125.13288	2.9
131.08585	2.9
133.10153	14.3
135.07997	2.5
135.10844	1.2
135.11691	7.6
137.05989	7.6
137.09567	2.3
137.13255	4.9
139.07521	3.5
141.05412	1.2
142.07713	1.5
143.08603	2.4
145.10162	7.5
147.11708	9.4
149.09613	1.4
149.13261	7.9
151.07556	2.0
151.11180	2.1
151.14870	1.9
153.09167	2.4
157.10156	4.2
159.11702	6.5
161.09570	3.0
161.13281	8.5
163.11162	5.0
163.14819	4.7
165.09105	4.6
165.12738	2.1
169.02594	2.8
173.13266	4.0
175.11201	7.3
175.14793	5.6
177.12787	2.9
177.16377	2.7
179.10678	3.7
179.14297	2.2
181.12140	1.7
183.81102	1.0
185.13228	2.0
187.14850	2.9
189.12711	2.9
189.16370	5.2
191.14333	1.4
191.17981	4.8
193.12259	7.3
199.14893	2.2
201.16379	2.9
203.17938	4.8
207.13893	1.7
209.15433	1.2
213.16383	1.4
215.18034	3.2
217.15811	1.6
217.19563	4.6
227.17938	1.5
229.19551	1.5
245.22664	1.5
249.18536	1.3
255.21112	1.3
257.22751	1.6
269.22726	1.6
277.05182	1.1
283.24176	1.5
288.42694	1.1
317.28488	2.2
347.32944	1.7
365.34186	3.1
371.33176	9.1
377.17520	2.1
389.34158	77.6
390.34467	3.7
391.19565	1.2
392.20010	2.2
407.22269	11.2
407.36096	26.5
408.36716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3521
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
55.01883	1.1
55.05514	4.0
57.03445	4.4
57.07081	17.0
65.03936	1.1
67.01862	6.2
67.05174	1.2
67.05510	18.4
68.44431	0.7
69.03436	12.3
69.07078	6.4
71.04994	1.8
71.08640	12.1
71.40600	1.2
79.05495	4.6
81.03362	0.7
81.07063	18.3
83.08624	4.6
85.02893	0.9
85.10191	6.4
87.04465	1.8
89.06017	1.3
91.05466	2.7
93.07063	5.3
93.76482	0.6
95.04977	14.5
95.08610	13.0
97.06523	1.1
97.10174	3.2
105.07027	3.7
107.08592	4.6
109.06530	10.5
109.10168	7.9
111.08104	1.3
111.11758	1.6
113.06011	4.1
115.03886	0.7
119.08611	4.0
121.06480	0.7
121.10152	3.7
123.04434	20.9
123.08091	4.7
123.11719	3.3
125.06004	2.2
131.08546	1.2
133.10141	4.2
135.08044	1.7
135.11674	1.6
137.06007	3.9
137.09604	5.5
137.13261	1.0
139.07539	0.7
141.05478	18.0
145.10143	1.4
147.08061	0.8
147.11684	3.5
149.09633	1.4
149.13330	1.0
151.07549	3.5
151.11238	3.1
155.07030	9.6
159.06535	1.7
159.11731	1.4
161.13306	2.3
163.14912	0.9
165.09128	2.6
165.12752	1.6
169.08595	7.2
175.11075	0.8
175.14790	1.6
179.10689	2.5
179.14357	1.1
183.10220	7.5
183.11641	1.2
187.14850	0.9
193.12282	1.1
197.11742	6.6
201.16322	0.9
203.17934	1.2
207.13815	1.0
211.13223	4.9
225.14842	4.2
231.34720	0.6
239.16457	2.7
253.18042	3.6
267.19522	3.4
269.22775	0.6
281.21078	3.3
295.22656	2.3
303.50540	0.6
309.24158	1.6
323.25974	1.3
337.27441	1.5
351.28952	2.3
371.33047	1.4
389.34219	7.2
407.35214	100.0
408.35602	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	407.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
54.97239	0.4
55.05507	3.4
56.05035	4.5
57.03427	0.5
57.07081	0.7
65.03957	0.5
67.05505	9.8
69.03442	0.4
69.07076	2.9
71.04996	0.7
71.55920	0.7
77.03880	0.5
79.05495	10.0
81.03407	0.7
81.07061	11.2
83.06108	29.7
83.08608	1.0
83.89217	0.4
84.04507	87.5
85.02906	1.4
85.04858	0.6
85.06551	0.5
91.05484	6.7
93.07047	11.7
95.04953	1.3
95.08606	8.4
97.06516	0.6
97.10181	0.8
101.07142	10.0
102.05541	5.4
105.07030	5.2
105.23265	0.4
107.08599	6.6
109.06494	0.6
109.10141	3.5
115.05492	0.4
117.07025	2.2
119.08573	3.6
121.10152	5.0
123.08064	0.4
123.11739	1.3
129.06607	38.2
129.36201	0.4
130.05008	100.0
131.05354	0.7
131.08585	3.5
133.10155	2.3
135.11700	4.4
137.13245	0.8
143.08534	0.5
145.10135	3.0
147.07651	36.1
147.11642	2.1
149.13272	2.2
159.11690	1.7
161.13264	2.1
163.14825	1.3
169.02873	0.4
171.07840	0.5
173.13237	2.0
177.16402	0.6
177.59206	0.5
187.14859	1.5
191.14325	0.5
201.23114	0.4
215.17883	0.5
233.22748	0.6
243.21057	2.0
261.22180	8.3
278.24942	0.7
316.26480	0.5
327.23495	0.5
333.15109	0.5
344.25833	0.7
357.22888	0.4
389.26874	1.3
390.26416	0.8
407.28232	0.6
407.37225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.01870	9.8
55.05505	12.7
57.03442	5.5
57.07074	19.0
67.05507	22.6
68.44162	1.9
69.07069	29.1
71.06252	5.8
71.08629	13.7
77.62390	2.3
79.05505	10.2
81.03416	11.6
81.07057	72.6
83.08610	14.8
85.10142	5.6
89.06024	6.6
91.05481	7.3
93.07060	14.6
95.04980	3.2
95.08614	61.1
95.09225	3.2
97.10199	11.2
99.04460	2.4
105.07022	10.2
107.08595	13.7
109.02884	28.1
109.10159	39.5
111.11711	8.4
113.00031	15.9
115.03925	8.2
119.08587	11.7
121.10148	14.4
123.08071	1.9
123.11702	24.2
125.05987	9.5
125.13263	3.1
127.03916	100.0
131.08559	5.1
133.08633	2.4
133.10132	9.0
135.11691	9.8
137.13263	17.4
141.05490	7.5
145.10117	6.7
147.11684	7.6
149.13264	4.9
151.14838	3.5
155.01180	2.5
155.07123	2.5
157.10156	4.0
159.11700	9.9
161.13284	8.6
163.14845	5.0
169.02650	18.7
169.08725	5.3
169.10114	2.4
171.11771	4.4
173.13275	4.8
175.14813	5.5
177.16426	3.9
183.10155	7.4
185.13203	2.7
187.14752	5.9
189.16365	5.2
195.10199	3.0
195.12126	2.4
197.11702	5.8
199.14909	4.5
201.16418	4.1
203.17949	3.4
209.11845	2.8
211.13139	2.9
211.32436	2.3
213.16412	4.0
215.17996	5.1
217.19449	3.0
225.14780	2.2
227.17955	2.5
229.19444	2.9
239.16397	2.7
253.18001	3.9
255.21243	2.7
257.22559	2.4
265.17975	2.8
267.19473	2.5
269.22745	5.2
279.19727	3.5
297.25836	4.6
309.24289	4.6
333.24048	2.9
362.30695	2.1
389.30527	15.2
407.22433	11.1
407.31494	28.5
407.36694	37.4
408.31787	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	407.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.0
56.05030	4.0
62.75058	2.1
67.05505	28.1
69.07048	7.2
69.54068	15.4
71.04981	3.2
72.21031	1.8
72.93813	1.8
79.05501	22.2
81.07057	28.8
83.06113	25.9
83.08607	4.6
84.04505	95.2
87.94091	2.1
91.05486	28.5
93.07052	27.3
95.08610	20.5
97.10154	2.7
101.07131	9.9
102.05552	3.6
103.05398	2.3
105.07031	29.1
107.08629	11.4
109.10141	9.0
117.07040	10.6
119.08586	21.7
121.06506	4.1
121.10133	9.9
123.11697	3.5
129.06593	37.2
129.28947	2.0
130.05005	100.0
131.08568	22.0
133.06470	2.4
133.10132	12.5
135.11708	9.4
143.08566	7.4
145.10104	11.1
147.07637	38.9
147.11682	5.4
149.13280	2.9
155.08530	3.9
157.10085	4.6
159.11673	7.8
161.09563	2.2
161.13235	3.5
163.14790	2.4
167.08638	3.1
169.10075	3.4
171.11749	3.2
173.13228	2.4
181.10301	2.3
187.14737	3.8
190.85387	2.1
197.13239	2.6
209.13292	2.7
211.14853	3.9
239.04095	2.0
261.22226	9.4
269.18936	1.9
335.23691	3.1
343.26447	2.7
353.24780	8.5
371.25809	15.0
389.26819	39.9
407.37375	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	407.2792
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
55.05506	11.0
56.05030	4.0
62.75058	2.1
67.05505	28.1
69.07048	7.2
69.54068	15.4
71.04981	3.2
72.21031	1.8
72.93813	1.8
79.05501	22.2
81.07057	28.8
83.06113	25.9
83.08607	4.6
84.04505	95.2
87.94091	2.1
91.05486	28.5
93.07052	27.3
95.08610	20.5
97.10154	2.7
101.07131	9.9
102.05552	3.6
103.05398	2.3
105.07031	29.1
107.08629	11.4
109.10141	9.0
117.07040	10.6
119.08586	21.7
121.06506	4.1
121.10133	9.9
123.11697	3.5
129.06593	37.2
129.28947	2.0
130.05005	100.0
131.08568	22.0
133.06470	2.4
133.10132	12.5
135.11708	9.4
143.08566	7.4
145.10104	11.1
147.07637	38.9
147.11682	5.4
149.13280	2.9
155.08530	3.9
157.10085	4.6
159.11673	7.8
161.09563	2.2
161.13235	3.5
163.14790	2.4
167.08638	3.1
169.10075	3.4
171.11749	3.2
173.13228	2.4
181.10301	2.3
187.14737	3.8
190.85387	2.1
197.13239	2.6
209.13292	2.7
211.14853	3.9
239.04095	2.0
261.22226	9.4
269.18936	1.9
335.23691	3.1
343.26447	2.7
353.24780	8.5
371.25809	15.0
389.26819	39.9
407.37375	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	407.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.4
57.07087	1.1
63.36200	0.5
63.90786	0.5
64.88147	0.7
67.05511	6.1
69.07078	5.9
70.06564	1.0
72.08144	1.7
79.05495	3.3
81.03414	1.2
81.07061	11.2
83.08604	2.8
84.79855	0.6
91.05499	3.6
93.07056	6.2
95.04999	1.0
95.08614	15.5
97.10187	1.3
98.09701	0.8
105.07035	6.5
107.08604	9.5
109.02894	0.7
109.10172	11.3
111.11710	0.9
112.07597	0.6
117.07053	1.1
117.17020	0.6
117.60561	0.6
119.08592	8.6
121.10141	8.4
123.08107	0.7
123.11734	4.8
131.08578	2.5
133.10146	7.9
135.11716	5.1
137.13246	2.8
141.07097	0.6
143.08556	1.5
145.10147	3.3
147.11703	6.0
148.77007	0.6
149.13214	3.6
157.10159	2.5
159.08136	0.7
159.11702	3.8
161.13246	4.1
163.14838	2.6
171.11713	1.4
173.13274	2.4
175.14818	2.0
177.16382	3.2
185.13303	1.2
187.11221	0.8
187.14854	1.9
189.16418	3.9
191.17899	3.2
199.14842	0.7
201.16431	3.5
203.17963	5.3
205.19551	1.3
215.17990	2.3
217.19534	5.1
227.18028	1.1
229.19557	2.5
231.21082	1.2
236.30963	0.6
241.19513	1.1
243.21062	1.6
255.21068	1.6
257.22711	1.7
269.22635	2.5
283.24359	1.1
289.05502	0.6
319.18863	0.8
321.16724	5.6
394.39209	0.7
407.24075	100.0
407.36490	20.1
408.24075	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	407.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19000	1.3
65.03946	1.8
69.03426	1.3
69.07085	1.7
70.06593	4.6
71.44174	2.3
72.08167	10.0
81.03410	2.9
82.31499	1.3
83.75009	1.2
84.08147	2.6
86.09698	5.7
91.05466	2.2
94.06612	1.2
95.04989	1.3
97.02905	1.2
97.06541	2.8
98.09676	3.4
108.04498	2.0
110.07192	1.3
119.04951	1.9
120.04475	6.1
131.08510	1.2
138.05522	5.3
143.63942	1.1
145.02908	2.7
147.04417	6.0
152.07121	2.1
154.05054	1.7
162.05551	1.5
178.04977	10.7
179.04863	1.8
183.08052	1.3
188.03447	11.2
192.06505	1.6
196.06042	6.8
199.08656	2.9
206.04536	2.9
211.08849	1.9
213.10313	2.4
223.08701	4.4
224.07063	2.4
224.09419	1.6
225.10300	2.8
227.08203	11.7
237.10243	11.7
239.11830	4.9
239.79643	1.3
241.09763	12.4
245.09300	3.5
251.08170	9.4
253.09735	1.9
255.07677	9.8
255.11461	3.7
265.09744	14.6
266.08102	3.0
266.10568	2.7
267.07742	1.3
267.11267	5.6
267.17908	1.4
268.09711	3.8
269.09250	36.9
270.09802	1.5
272.09314	1.5
273.08664	13.6
279.07632	18.6
280.08435	2.3
283.10739	7.0
284.09222	3.9
285.12244	2.3
287.10312	2.9
293.09210	21.5
295.10913	3.0
297.08710	52.2
301.11841	1.5
302.10187	1.6
311.10193	10.0
312.08459	2.3
313.11877	7.7
314.10486	2.6
315.09811	26.0
315.13370	2.8
319.09399	1.6
321.08795	10.7
325.11655	6.8
329.11398	6.7
330.09723	3.1
332.11386	1.6
333.10806	19.0
339.09769	32.9
343.12982	9.0
347.12161	1.4
357.10831	17.3
358.09232	1.9
371.12393	16.9
375.11786	4.7
389.13455	100.0
390.12387	4.8
407.08560	1.5
407.14038	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	407.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25203	1.2
53.03952	1.4
56.05020	1.7
57.03434	1.6
65.03934	2.5
67.05502	1.4
69.03444	1.3
69.07057	1.8
70.06590	5.7
70.71759	1.1
71.54244	1.2
71.54639	1.9
72.08143	6.9
76.02242	1.2
79.05482	2.3
81.07048	1.4
83.04984	1.5
84.04482	1.1
84.08141	5.2
85.02895	2.0
86.09701	3.7
91.05480	2.0
93.07069	1.3
94.06559	2.0
95.04982	1.8
97.02914	1.9
97.06512	1.5
98.09679	2.5
101.64839	1.1
105.07047	1.3
107.08609	1.4
108.04475	2.4
120.04477	4.3
120.08084	2.7
125.09641	1.6
128.96277	1.2
129.10252	1.8
136.44823	1.2
138.05492	5.2
147.04404	6.6
152.07083	2.8
154.05005	2.0
162.05501	2.6
174.05420	1.3
178.04958	9.5
179.04820	1.4
188.03442	9.8
188.90852	1.5
192.06502	1.2
194.08174	1.1
196.06032	7.3
196.07576	1.4
199.08791	2.5
206.04541	3.7
213.10260	2.6
223.08743	5.0
224.09213	1.7
225.10283	1.3
227.08151	13.2
227.11636	2.0
234.64812	1.2
237.10233	12.6
238.10939	2.4
239.08154	2.0
239.11832	4.7
241.09773	11.4
243.11166	1.7
245.09215	4.0
251.08160	13.8
252.08891	1.4
255.07750	7.7
255.11354	2.9
260.11569	1.4
265.09702	13.8
266.08063	2.0
266.10608	1.7
267.11365	3.2
268.09760	1.5
269.06500	2.3
269.09247	37.4
269.12195	2.2
270.09729	1.4
271.10831	1.9
273.08707	10.4
279.07718	20.1
280.08344	2.8
283.10785	6.6
284.09073	1.9
285.12292	3.2
287.10275	2.5
288.11557	1.4
293.09204	22.5
295.11023	1.6
297.08734	51.5
298.08994	1.4
299.10202	1.5
301.11874	2.4
311.10233	8.4
312.08691	2.0
313.11856	5.1
315.09763	22.8
316.10211	1.8
317.11432	2.0
321.08765	12.8
325.11835	7.9
329.11267	5.7
333.07141	1.9
333.10846	20.8
339.09775	37.9
340.10071	1.7
340.62631	1.1
343.12936	10.1
345.10721	2.8
347.12411	2.0
357.10925	11.9
358.09213	1.5
361.14069	1.4
364.17957	1.2
371.12402	19.5
375.11850	3.1
376.57187	1.2
377.12601	1.2
389.13431	100.0
390.13528	2.7
403.19241	1.2
407.14551	13.5
410.18164	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.1
70.06586	22.0
70.89893	17.2
71.04969	9.5
72.90037	9.6
78.58237	9.6
81.07056	24.3
83.04989	18.0
84.04506	17.3
85.02899	17.7
86.16344	8.9
93.07061	13.2
95.04977	24.1
97.06544	13.2
105.07024	24.6
107.08622	25.4
109.06518	29.2
109.10165	20.4
115.05408	9.7
116.07119	15.3
119.08588	13.5
121.10136	13.6
125.09590	11.8
131.08615	15.4
133.10129	38.4
145.10159	11.1
147.11679	18.9
151.11179	21.1
152.95494	8.7
166.84247	10.8
167.14270	14.8
173.13252	34.5
175.14838	32.9
191.14374	22.9
192.20908	11.8
209.15378	100.0
226.11148	10.9
227.16327	11.5
259.11118	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05517	3.7
57.07066	1.8
58.06584	0.8
59.32883	0.8
67.04264	6.5
67.05507	6.9
68.02574	0.8
69.03411	3.8
69.07059	2.0
70.48447	1.7
70.48805	1.7
71.08614	0.7
79.05505	6.0
80.05023	1.4
81.07057	5.3
82.06585	100.0
83.06918	0.7
83.08612	1.2
88.04005	7.4
89.22713	0.7
91.05476	3.3
93.07052	9.7
94.53504	0.7
95.05018	0.8
95.08621	7.8
100.07619	23.5
100.08266	1.4
100.94186	0.7
101.15292	0.7
105.07055	2.6
107.08601	2.8
109.10156	1.8
111.08095	1.1
118.08679	1.6
119.08592	1.5
121.10159	1.7
122.10487	1.1
123.11726	1.0
126.05521	1.2
128.07088	44.9
135.11708	1.3
138.82262	0.8
139.07541	1.3
145.10155	1.8
146.08125	21.5
157.10117	1.1
159.11687	1.0
203.22826	0.7
244.40366	0.8
256.25821	0.9
406.29565	62.0
406.37457	8.9
407.29865	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05569	1.1
55.01882	1.3
56.05027	1.9
58.99588	1.2
60.04538	1.7
67.05513	2.0
69.03417	2.0
69.07072	2.6
69.54080	1.5
69.54488	6.5
70.06595	13.6
71.04996	2.2
71.64128	1.1
72.08154	2.8
76.02231	4.1
76.14132	1.0
79.05509	2.6
81.03426	3.2
81.07071	3.0
83.04987	1.9
83.08620	1.1
84.04497	4.2
84.08151	3.8
84.27819	1.0
85.02920	2.9
86.09712	100.0
87.10023	1.7
91.05486	4.2
91.52654	1.0
93.07043	2.9
94.06621	1.2
95.04997	3.2
95.08617	1.5
96.08116	1.5
97.06515	1.9
98.97574	2.8
98.98216	0.9
105.03386	1.1
105.07030	4.5
105.74539	1.2
107.08618	5.1
109.06563	1.3
110.07148	1.5
112.03947	2.0
112.07627	1.8
117.07014	2.1
119.04974	1.4
119.08621	2.5
120.08118	2.5
121.06544	1.3
121.10133	4.1
122.02695	1.4
123.04418	1.4
124.07629	2.3
125.06073	1.7
127.03971	1.3
129.10252	1.5
131.04977	1.0
131.08524	2.3
132.08118	1.4
133.10156	4.7
135.08051	1.4
135.11687	1.5
136.07610	5.7
137.09682	1.5
143.07054	1.5
143.08566	1.2
147.04427	4.0
147.11678	4.1
149.13237	1.5
151.03899	1.7
156.10239	1.2
158.99707	1.4
160.07596	9.0
162.05504	14.3
163.14833	1.4
165.05540	2.1
166.08659	1.3
167.07097	2.4
169.06409	1.1
171.04514	1.6
173.13289	5.7
175.14792	2.5
182.08104	5.6
188.07280	1.2
189.05559	3.0
191.14345	3.1
193.12297	1.7
197.12814	1.2
199.08693	1.4
205.09811	1.9
206.08183	5.2
216.06813	1.2
225.12482	7.1
226.08623	3.9
241.09720	1.8
244.09741	9.5
247.10873	2.6
251.10446	1.7
255.11366	1.3
259.11136	7.2
267.15887	2.0
269.09268	2.8
283.10901	1.8
285.12381	2.6
293.11447	10.1
295.16583	1.9
297.08664	4.9
315.09711	1.7
317.09607	4.2
321.08331	1.3
323.11594	1.4
333.10825	2.2
339.09781	3.1
360.13678	2.2
388.18518	1.8
389.13489	14.5
406.14655	2.9
406.19641	9.2
407.14526	2.3
417.20462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.7
55.05500	1.9
56.05038	5.6
57.03444	3.9
58.99585	12.7
61.01124	1.3
68.05020	1.0
69.07037	1.6
70.68407	1.3
70.68740	1.4
73.01141	2.0
74.00655	1.7
76.01834	1.4
76.02231	21.9
76.04004	2.0
79.05504	4.3
80.05002	1.0
81.07059	16.3
82.06538	0.7
83.06049	1.0
84.04506	27.4
84.08148	0.8
85.01125	3.3
85.58216	0.8
86.00665	4.5
86.99050	7.1
87.02689	5.0
88.02200	2.7
94.06557	0.9
95.08598	3.5
96.08139	1.6
97.06525	1.9
98.09695	12.4
98.72025	0.7
99.05586	1.4
99.08099	5.1
101.00631	0.7
102.05544	5.0
105.07010	1.8
110.09652	1.8
111.11110	0.7
112.03980	3.4
113.04238	6.9
114.05482	0.8
115.05789	2.6
116.01677	20.5
122.09653	2.4
123.08111	1.4
127.05811	1.3
129.06566	3.0
130.04999	7.8
130.06857	3.8
130.08597	1.7
139.05746	2.1
140.86101	0.6
142.03215	2.6
143.02789	1.0
144.01152	9.9
145.05975	1.3
156.08421	19.0
156.10197	11.5
157.06819	8.4
162.02205	21.2
170.02722	1.0
172.79370	0.8
174.09503	14.1
179.04865	7.7
184.07884	0.8
189.03271	1.5
210.11269	2.9
213.10684	0.8
216.06940	6.4
233.05913	1.5
242.08432	0.8
245.05991	1.0
259.11124	100.0
260.09106	1.1
260.11447	2.4
277.12100	1.1
285.12820	1.6
291.06635	1.3
313.12222	2.5
331.13315	5.6
343.13474	1.2
388.15067	1.8
392.02750	0.7
406.16306	2.3
418.58777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3728
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03952	2.0
55.01876	2.1
55.05508	2.5
57.06826	0.5
57.07082	8.0
65.03902	0.4
67.05509	13.0
69.03425	0.8
69.07064	1.6
69.36611	3.4
71.08640	5.8
77.03927	0.4
79.05489	1.3
81.07050	1.7
83.04970	0.6
83.08620	1.3
85.06561	0.6
85.10199	2.5
86.22398	0.3
91.05487	7.7
93.07052	39.8
95.04973	2.3
95.08613	25.5
97.06529	1.6
105.04529	0.4
105.07042	1.0
106.72118	0.4
107.08613	3.6
109.06493	0.5
109.10187	1.9
109.10830	0.4
110.01551	0.4
111.08091	21.2
119.08585	0.5
121.06535	3.2
121.10135	1.4
123.11759	0.5
125.09645	2.1
127.07552	2.6
135.08093	0.4
135.11678	0.8
137.09612	0.5
139.07545	15.4
140.56702	0.4
140.99294	0.4
149.09624	0.6
153.09116	9.0
157.08632	2.2
167.10693	7.2
169.54613	0.4
181.12257	5.4
195.13821	3.9
209.15404	2.7
223.17014	2.0
232.66365	0.4
237.18535	1.7
251.20119	0.9
265.21649	1.0
279.23230	0.8
293.24789	1.0
307.26431	0.8
321.28052	0.6
335.29440	0.6
387.36121	0.9
405.37299	100.0
406.37622	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	406.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
51.57924	0.3
53.03947	0.4
55.01873	0.4
56.96558	1.5
57.03439	0.5
58.99587	0.5
61.02914	0.8
65.03933	0.4
67.05502	0.8
69.03430	1.6
70.06583	1.5
71.04967	0.3
72.08152	1.5
76.02223	0.6
77.03933	0.7
81.03448	0.7
84.04511	0.4
84.08140	1.6
85.02905	3.7
88.03971	0.5
95.04977	1.1
97.02880	1.6
98.97598	1.5
100.02262	0.5
104.01151	0.4
105.03387	1.5
109.02876	0.8
109.21665	0.3
116.98627	0.8
119.01900	0.4
122.02733	8.1
123.04435	100.0
124.04783	1.2
127.03964	0.9
127.05017	0.6
128.07062	0.5
129.10254	0.6
137.05972	0.5
140.07033	0.5
145.02768	0.6
145.04942	0.4
155.01654	1.2
158.99667	0.9
177.05515	0.9
209.75546	0.4
219.01839	0.6
222.69540	0.4
230.14948	0.4
237.02710	0.5
243.13423	0.4
244.06413	1.5
251.02478	0.4
258.81583	0.4
269.03467	1.9
280.10959	0.4
283.04950	0.7
287.04379	1.7
311.04474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2637
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03938	8.3
55.01873	13.5
55.05263	2.8
55.05514	36.5
57.03429	9.1
57.07067	4.6
61.02931	3.2
61.79116	2.1
65.03926	5.2
67.05510	78.0
69.03429	28.8
69.07071	31.3
69.93535	10.0
71.01373	5.0
71.04980	9.5
73.02902	5.0
73.06554	2.5
75.79675	2.1
79.05493	68.1
81.03419	27.0
81.07062	83.3
83.04981	20.3
83.08634	14.2
85.02914	13.0
85.06541	4.4
87.04465	2.4
91.05486	77.5
93.07050	75.0
95.04964	14.4
95.08609	67.0
97.02892	11.2
97.06537	12.2
97.10165	7.3
99.04449	6.3
103.03952	2.6
103.05482	3.5
105.07043	80.2
107.04981	12.8
107.08600	52.6
109.02918	3.6
109.06516	13.8
109.10168	27.2
109.74921	2.6
111.04445	16.0
111.08077	6.4
115.05473	4.9
117.07024	46.0
119.08591	63.6
121.06493	11.9
121.10143	36.9
123.04421	6.4
123.08060	8.0
123.11706	8.9
125.09644	6.3
127.03924	4.9
128.06219	8.7
129.05482	4.4
129.07011	27.2
130.07848	3.6
131.08582	62.9
133.06520	11.0
133.10126	44.8
135.08043	13.1
135.11687	20.5
137.09642	5.3
137.13213	2.5
139.11182	3.0
141.06975	8.0
142.07755	6.9
143.08574	30.1
145.06490	10.0
145.10124	45.5
147.08047	8.5
147.11693	31.8
149.09592	9.6
149.13280	14.7
151.07521	5.0
153.06949	3.0
153.09036	2.8
155.08557	13.2
156.09360	3.6
157.06502	6.0
157.10143	20.7
159.08066	9.9
159.10403	4.5
159.11682	38.6
161.06004	2.7
161.09657	9.2
161.13243	18.0
163.07527	3.9
163.11165	4.3
163.14853	5.4
165.07048	2.8
167.08571	6.3
167.10764	2.7
169.10176	15.3
171.08022	6.5
171.11697	21.4
173.09608	7.9
173.13234	24.3
175.11189	7.8
175.14790	6.7
177.12709	2.7
177.88374	2.6
181.10104	5.1
183.08015	4.6
183.11717	11.5
185.09595	6.5
185.13329	18.0
187.11171	8.9
187.14819	9.2
189.12738	5.6
195.11703	8.6
197.09622	3.7
197.13286	8.8
199.11179	5.4
199.14842	10.3
201.12749	8.0
201.16420	4.3
203.14336	5.3
209.13287	5.3
211.11273	3.7
211.14841	5.4
213.12843	5.0
213.16457	4.2
215.14256	4.2
217.15910	3.8
221.13367	3.4
223.14919	2.5
225.12834	4.2
225.16464	3.6
227.14296	5.7
253.19643	2.8
259.20584	8.6
267.21179	2.9
271.20599	7.6
273.18823	2.8
273.22153	8.0
277.21634	6.5
285.22025	6.5
287.19998	3.0
289.21735	9.6
291.23175	4.4
299.23444	2.8
301.18686	3.0
301.21591	13.5
303.23285	11.1
313.21576	5.3
315.23117	13.5
317.24832	2.9
319.22711	9.9
323.23630	4.7
327.23022	12.7
331.22595	8.4
341.24667	14.9
343.22803	3.0
345.24307	12.1
351.23318	15.3
359.25867	5.7
369.24286	57.5
370.24496	2.8
387.25348	48.0
405.26382	100.0
405.35117	5.2
406.26611	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	405.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.3
55.01873	13.5
55.05263	2.8
55.05514	36.5
57.03429	9.1
57.07067	4.6
61.02931	3.2
61.79116	2.1
65.03926	5.2
67.05510	78.0
69.03429	28.8
69.07071	31.3
69.93535	10.0
71.01373	5.0
71.04980	9.5
73.02902	5.0
73.06554	2.5
75.79675	2.1
79.05493	68.1
81.03419	27.0
81.07062	83.3
83.04981	20.3
83.08634	14.2
85.02914	13.0
85.06541	4.4
87.04465	2.4
91.05486	77.5
93.07050	75.0
95.04964	14.4
95.08609	67.0
97.02892	11.2
97.06537	12.2
97.10165	7.3
99.04449	6.3
103.03952	2.6
103.05482	3.5
105.07043	80.2
107.04981	12.8
107.08600	52.6
109.02918	3.6
109.06516	13.8
109.10168	27.2
109.74921	2.6
111.04445	16.0
111.08077	6.4
115.05473	4.9
117.07024	46.0
119.08591	63.6
121.06493	11.9
121.10143	36.9
123.04421	6.4
123.08060	8.0
123.11706	8.9
125.09644	6.3
127.03924	4.9
128.06219	8.7
129.05482	4.4
129.07011	27.2
130.07848	3.6
131.08582	62.9
133.06520	11.0
133.10126	44.8
135.08043	13.1
135.11687	20.5
137.09642	5.3
137.13213	2.5
139.11182	3.0
141.06975	8.0
142.07755	6.9
143.08574	30.1
145.06490	10.0
145.10124	45.5
147.08047	8.5
147.11693	31.8
149.09592	9.6
149.13280	14.7
151.07521	5.0
153.06949	3.0
153.09036	2.8
155.08557	13.2
156.09360	3.6
157.06502	6.0
157.10143	20.7
159.08066	9.9
159.10403	4.5
159.11682	38.6
161.06004	2.7
161.09657	9.2
161.13243	18.0
163.07527	3.9
163.11165	4.3
163.14853	5.4
165.07048	2.8
167.08571	6.3
167.10764	2.7
169.10176	15.3
171.08022	6.5
171.11697	21.4
173.09608	7.9
173.13234	24.3
175.11189	7.8
175.14790	6.7
177.12709	2.7
177.88374	2.6
181.10104	5.1
183.08015	4.6
183.11717	11.5
185.09595	6.5
185.13329	18.0
187.11171	8.9
187.14819	9.2
189.12738	5.6
195.11703	8.6
197.09622	3.7
197.13286	8.8
199.11179	5.4
199.14842	10.3
201.12749	8.0
201.16420	4.3
203.14336	5.3
209.13287	5.3
211.11273	3.7
211.14841	5.4
213.12843	5.0
213.16457	4.2
215.14256	4.2
217.15910	3.8
221.13367	3.4
223.14919	2.5
225.12834	4.2
225.16464	3.6
227.14296	5.7
253.19643	2.8
259.20584	8.6
267.21179	2.9
271.20599	7.6
273.18823	2.8
273.22153	8.0
277.21634	6.5
285.22025	6.5
287.19998	3.0
289.21735	9.6
291.23175	4.4
299.23444	2.8
301.18686	3.0
301.21591	13.5
303.23285	11.1
313.21576	5.3
315.23117	13.5
317.24832	2.9
319.22711	9.9
323.23630	4.7
327.23022	12.7
331.22595	8.4
341.24667	14.9
343.22803	3.0
345.24307	12.1
351.23318	15.3
359.25867	5.7
369.24286	57.5
370.24496	2.8
387.25348	48.0
405.26382	100.0
405.35117	5.2
406.26611	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	405.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.7
55.01875	5.7
55.05517	50.5
60.54777	3.6
67.05514	74.1
69.03429	7.4
69.07071	48.8
69.84837	19.3
71.04983	8.2
73.06558	4.7
76.43159	3.8
79.05498	57.6
81.07060	89.6
83.04977	6.2
83.06081	4.5
83.08622	30.9
84.04496	13.5
85.02917	4.8
85.06549	4.1
85.94904	3.8
87.28271	3.9
91.05491	86.0
93.07054	63.2
95.04971	11.8
95.08051	5.0
95.08614	45.7
97.02878	5.7
97.06535	10.0
97.10167	6.9
103.05473	5.7
105.07038	77.6
107.04990	6.3
107.08608	34.6
109.06519	7.0
109.10158	18.9
111.08091	11.3
115.05463	8.7
117.07030	69.2
119.04919	4.8
119.08589	37.8
121.06480	7.3
121.10161	31.8
123.08101	6.7
123.11740	4.7
125.09644	4.0
128.06215	13.7
129.07025	67.0
130.05028	15.7
130.07840	3.5
131.08585	100.0
132.13403	4.0
133.06519	11.1
133.10158	27.2
135.08061	6.6
135.11690	10.9
139.11191	9.6
141.06961	21.4
141.09114	4.3
142.07780	6.3
143.08557	41.8
145.06494	10.1
145.10135	35.0
147.07857	14.6
147.11656	8.7
149.09592	7.9
149.13335	5.2
151.11206	4.2
154.07777	4.4
155.08556	44.2
157.08861	5.4
157.10149	25.7
159.08080	7.0
159.11714	17.1
161.09647	10.0
161.13258	5.1
163.11253	5.2
167.08594	15.3
169.10121	18.6
171.08102	4.4
171.11723	13.9
173.09755	4.0
173.13293	7.7
175.09747	7.6
175.11186	8.2
175.14793	3.7
177.12735	8.8
179.08531	5.7
181.10143	19.3
183.11746	10.6
185.09666	4.0
185.13301	13.0
185.43408	3.5
187.11177	7.2
187.14934	4.7
189.12744	4.2
193.10126	6.5
195.11761	15.9
197.13222	8.3
199.14864	5.6
201.12675	3.6
203.14484	4.2
207.11795	6.3
209.13290	17.2
211.14835	8.3
213.12814	7.0
219.11656	3.9
219.13733	6.3
221.13281	15.3
223.14886	15.4
225.16403	5.0
227.14468	5.1
231.17574	3.6
233.15460	17.7
235.14928	5.3
239.14325	8.6
241.15959	8.9
245.15448	5.2
249.16489	4.0
253.15805	5.8
257.15338	9.0
259.17068	6.7
259.20593	7.4
271.16873	11.1
305.22592	5.3
323.23611	7.3
333.22119	17.2
341.24863	14.5
351.23248	43.0
359.25983	5.4
369.24295	29.4
387.25308	39.8
405.26480	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	405.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.0
55.05266	0.8
55.05513	10.6
57.03442	4.6
57.07090	5.0
57.07325	1.1
67.05510	7.2
69.07074	12.2
69.25008	7.3
69.56315	0.9
71.08626	3.3
73.55336	0.7
79.05498	3.4
81.07050	8.8
83.08620	9.3
85.10191	1.7
91.05484	2.4
93.07043	8.7
95.08616	7.7
97.06541	2.1
97.10172	5.8
105.06995	1.1
107.08621	3.6
109.10156	2.1
111.08097	3.1
111.11714	2.7
113.00022	98.9
119.08575	1.8
121.10155	4.9
123.11707	1.4
131.01048	0.9
133.10143	0.8
135.11687	3.8
137.13214	2.0
139.07565	1.8
143.08604	1.0
145.10098	1.0
147.11685	1.1
149.13303	1.6
153.09142	1.3
167.10648	1.1
169.02625	100.0
219.21152	1.6
237.22134	5.8
405.37320	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	405.2639
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
51.02376	2.1
53.03949	8.5
55.01874	14.8
55.05264	2.7
55.05517	37.1
55.84182	1.4
57.03447	11.7
57.07081	7.8
62.03123	1.3
65.03933	5.9
67.05512	73.7
69.03079	2.1
69.03438	30.3
69.07076	31.3
70.08568	2.9
70.08958	3.1
71.01343	3.4
71.05003	9.0
71.08644	1.8
73.02909	5.1
73.06581	1.4
77.03934	1.7
79.05500	68.3
81.03424	32.0
81.07064	86.4
83.04984	16.4
83.08618	14.1
85.02917	11.9
85.06535	5.0
87.04467	3.2
91.05490	79.5
93.07053	83.8
95.04974	17.0
95.08617	63.7
97.02909	13.7
97.06522	10.9
97.10176	6.6
98.21471	2.8
99.04481	7.5
99.08109	1.9
103.03972	2.1
103.05498	4.4
105.04585	2.0
105.07042	75.4
107.04981	11.0
107.08606	44.3
109.02898	4.8
109.06541	11.7
109.10167	25.6
111.04452	14.5
111.08103	8.5
111.11671	1.5
115.03960	2.5
115.05458	4.3
116.06255	1.9
117.07028	41.3
119.08589	60.8
121.06521	11.6
121.10151	27.4
123.04461	4.6
123.08098	7.7
123.11730	9.0
125.09655	3.7
127.03920	4.7
127.07578	2.5
128.06224	9.8
129.05470	4.2
129.07013	23.6
130.07770	3.3
131.04930	3.6
131.08583	57.8
133.06514	10.0
133.10141	44.3
135.08084	10.3
135.11702	24.9
137.05988	3.1
137.09621	4.8
137.13275	2.0
139.07559	6.1
139.11212	2.2
141.07025	8.1
142.07794	4.9
143.08568	30.6
144.09308	2.1
145.06488	9.2
145.10135	46.3
146.07303	1.5
147.08041	11.9
147.11693	33.3
149.06035	1.8
149.09647	8.7
149.13316	12.6
151.07565	2.4
151.11238	3.9
153.07027	1.6
153.09073	2.8
154.07787	2.1
155.07292	2.0
155.08562	13.5
156.09364	3.1
157.06522	3.8
157.10152	22.7
159.08087	8.0
159.11705	37.2
161.06027	2.7
161.09648	8.0
161.13271	18.3
163.07477	2.4
163.11215	4.4
163.14879	3.2
165.06990	2.4
165.09082	1.7
165.12701	1.9
167.08560	5.0
167.10774	2.2
168.09358	1.8
169.10124	13.5
171.08076	6.1
171.11700	19.2
172.12407	1.8
173.09639	5.7
173.13287	24.1
175.11159	7.4
175.14842	7.6
177.09085	1.8
177.12726	2.8
177.16322	1.4
179.08525	1.7
181.10132	4.1
182.10966	2.3
183.08192	3.1
183.11673	11.3
185.09659	6.3
185.13235	13.7
187.07587	1.7
187.11227	5.8
187.14786	11.6
189.09152	2.2
189.12706	6.8
189.16394	2.5
191.10713	2.8
193.10136	1.7
195.11705	7.2
195.13519	1.6
197.09560	1.4
197.13307	9.2
199.11232	5.4
199.14836	10.3
201.12735	4.1
201.16356	5.0
203.10759	1.5
203.14354	4.2
207.11792	3.3
207.13860	1.8
209.13315	4.3
211.11252	2.7
211.14842	5.6
213.12796	6.0
213.16475	6.7
215.14372	2.4
217.12267	2.3
217.15987	2.8
221.13293	2.8
221.15308	1.6
223.14877	3.0
225.12906	1.8
225.16360	2.2
227.14400	3.0
227.18056	2.5
229.12212	1.7
231.13791	2.8
233.15430	3.4
235.17050	1.9
237.16516	2.4
239.14333	1.6
241.19576	3.4
243.13832	2.4
245.15442	1.8
247.17010	2.2
253.15945	2.1
253.19771	2.2
255.21140	3.2
257.19040	2.5
259.20541	7.3
261.22177	3.1
267.21146	2.0
271.16956	1.7
271.20572	10.0
273.22223	6.7
275.20126	2.8
277.21686	7.5
283.20621	2.3
285.22168	5.7
287.23672	1.7
289.21548	9.4
291.23288	5.6
295.20627	1.9
297.22137	3.9
299.20273	2.3
299.23846	2.8
301.21619	15.1
303.23135	10.6
309.22101	2.1
313.21741	6.1
315.23196	14.0
317.24899	2.0
319.22672	7.9
323.23749	4.3
327.23178	7.8
331.22693	5.0
333.22015	1.7
341.24817	13.8
343.22748	1.7
345.24188	10.4
351.23227	18.2
357.24002	2.2
359.25952	4.5
369.24286	55.2
377.26712	1.6
387.25314	46.2
388.25644	2.7
405.26398	100.0
405.37695	14.9
406.26761	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	79.7
57.03440	24.2
67.05504	91.0
68.24412	17.0
69.07064	38.8
69.95313	14.6
70.06591	36.9
71.08631	53.1
71.55762	18.1
72.08152	21.0
79.05487	90.4
81.03429	19.2
81.07070	100.0
81.90469	13.6
83.08609	25.2
84.04532	13.2
84.08131	17.3
91.05486	63.7
93.07066	81.5
95.08626	49.8
97.10185	38.0
99.08092	52.1
104.48457	18.1
105.07023	22.0
107.08610	52.1
109.10217	14.2
111.08128	17.8
119.08625	23.2
121.10160	35.3
125.09631	36.6
127.07531	16.0
133.10187	30.5
135.11646	19.6
140.14363	41.0
145.10110	21.0
147.11719	18.6
149.13318	24.3
159.11758	25.2
173.11771	35.7
227.12794	26.8
229.14447	18.6
245.13802	33.7
260.94696	18.1
269.17493	41.3
277.21582	25.9
286.20139	45.6
290.83563	15.5
351.25336	24.1
368.28036	21.6
386.23886	18.4
386.28677	22.0
388.32028	96.3
404.24579	19.0
404.32895	51.5
405.34903	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	13.7
55.05512	56.9
57.03440	21.6
67.05511	73.5
69.07058	33.3
71.08630	48.7
71.55599	16.5
78.41862	10.8
78.80052	10.3
79.05495	62.6
81.07064	100.0
83.04991	11.9
83.08617	35.2
83.62109	11.2
91.05486	32.8
93.07040	75.2
95.08620	49.1
97.01167	11.6
97.06540	15.3
97.10165	28.4
99.08100	33.6
105.07012	36.2
107.08602	36.7
111.04418	14.0
111.08112	12.2
114.14246	11.9
115.04089	12.4
117.07004	23.0
119.08588	36.9
121.10143	25.0
125.09637	29.9
129.07005	20.8
131.08551	19.5
133.10152	20.0
135.11638	13.3
145.10150	20.2
147.11743	15.1
149.13316	23.0
151.11203	23.6
155.08644	10.9
159.11696	29.5
161.13252	15.0
189.11212	19.4
195.13956	16.6
212.70885	14.1
227.12813	20.3
259.20529	19.1
269.17526	86.8
277.21710	23.9
286.20010	18.7
351.25363	52.6
386.24139	11.5
387.25381	15.0
388.32190	17.1
404.25067	48.0
404.34036	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01866	3.5
55.05513	15.7
56.05040	1.1
57.03434	3.2
57.46879	0.9
61.02909	1.0
67.05506	9.5
68.05025	2.2
69.03444	5.7
69.07080	3.6
70.06597	16.5
71.04997	82.8
71.55370	1.1
72.08160	3.3
73.02914	1.5
79.05498	15.6
81.03411	2.9
81.07059	9.2
83.04977	2.5
83.08629	4.2
84.04494	1.8
84.08144	9.1
85.02906	3.2
85.06544	1.1
85.08486	1.3
86.06071	4.1
86.09724	2.2
88.03994	3.6
91.05490	6.8
93.07056	6.1
94.06579	1.1
95.04964	2.9
95.08605	2.7
96.08131	9.0
97.02900	5.0
97.06553	1.8
97.10176	8.5
98.06056	3.8
102.05553	1.3
105.07053	3.1
106.06577	1.5
107.04956	1.8
107.08586	6.7
109.02906	1.7
109.10159	2.1
110.06054	2.5
110.07198	1.4
111.08087	4.6
112.07581	4.7
114.05444	1.0
117.07041	3.3
119.05039	0.9
119.08587	2.2
120.08119	2.1
121.10145	1.4
122.02680	1.0
123.04443	0.9
123.08097	3.3
124.07587	4.3
125.09636	6.6
127.03947	1.6
128.07071	2.7
129.07001	1.1
131.08580	1.2
133.10115	1.4
135.08052	6.1
137.06001	1.2
138.05515	1.9
142.07701	0.9
142.08678	1.3
145.10159	1.4
148.07632	1.0
153.09125	2.5
157.05019	1.0
158.08150	1.9
167.07024	1.2
328.21219	3.5
398.58722	1.0
404.22833	100.0
405.23065	3.5
418.25027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01879	1.6
55.05500	5.4
56.05027	5.3
57.03458	3.3
59.03016	1.4
60.04533	1.8
61.02958	1.6
67.05510	21.5
68.05030	2.3
69.03089	2.7
69.03438	45.2
69.07067	12.4
69.33577	10.8
69.33991	3.8
70.02956	8.1
70.06587	6.3
71.04997	3.1
72.04500	2.8
72.08160	3.7
79.05510	10.6
80.05012	4.3
81.03423	7.8
81.07069	12.9
82.06583	6.1
83.04993	3.5
83.08617	3.1
84.04514	13.6
84.08152	22.5
85.02914	2.5
86.06073	8.4
86.09713	2.3
87.04476	34.0
88.03996	11.4
91.05491	12.7
93.07053	12.4
94.06561	4.8
95.04980	5.3
95.08630	10.1
96.04496	3.7
96.08159	2.8
97.02934	9.3
97.06514	5.2
98.06044	5.1
98.20780	3.7
100.03971	2.1
102.05563	21.2
105.07039	4.7
107.04948	3.0
107.08583	5.3
108.08112	2.3
109.06496	2.2
109.10164	14.9
110.06038	2.7
112.07619	100.0
114.05511	1.9
116.07114	1.9
116.10747	9.5
117.07059	2.0
119.08574	7.7
120.06632	2.7
120.08113	2.0
121.06448	2.1
121.10151	3.5
124.07578	3.3
128.07109	3.2
130.04970	2.6
131.08563	5.2
132.08910	1.6
133.10144	4.3
136.06137	2.0
137.05981	3.0
137.09624	2.8
138.05479	2.9
138.09053	2.1
140.07079	77.9
145.10097	3.1
147.11678	2.0
148.07478	1.8
149.09622	3.8
149.13257	1.9
150.61092	1.5
153.05498	4.7
154.05865	1.8
155.10631	1.9
158.08141	19.9
162.12772	2.6
163.11172	4.9
166.08597	1.4
167.07019	3.2
168.07404	3.1
169.10023	1.8
173.11763	5.6
174.07658	2.3
177.05437	2.1
180.13847	6.4
182.15413	1.9
190.12227	3.4
193.12299	3.1
198.14792	1.8
208.13321	2.7
229.14363	7.3
232.11839	3.4
257.13864	2.2
267.16049	2.4
268.15253	2.0
312.17993	2.3
333.13397	5.3
358.22433	1.8
368.20468	5.5
386.21667	35.2
404.22763	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	404.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25453	0.8
51.69777	0.7
53.03946	3.2
55.05507	1.4
55.32519	0.8
60.12832	0.9
69.03430	8.7
70.06590	5.7
71.04989	2.3
71.21155	1.1
72.08161	1.9
76.75130	0.8
78.03455	12.5
80.05012	1.9
81.02982	1.2
81.03420	14.3
83.04993	2.6
84.04529	1.8
84.08154	5.6
85.02912	9.8
86.06065	3.3
86.09689	3.8
93.07112	0.9
96.04497	4.1
97.02890	5.1
97.06537	1.0
99.04470	1.9
101.06031	3.6
106.02923	46.0
108.76280	0.9
109.02873	9.1
110.07204	3.3
114.05563	1.2
119.07366	1.2
124.03961	100.0
127.03905	4.6
128.07104	1.6
129.10242	1.7
147.04413	1.0
152.06920	0.8
156.10262	1.0
166.05060	2.2
175.03940	0.8
175.11920	1.0
187.99924	0.9
189.08734	1.0
207.06639	2.5
217.08176	1.7
232.06042	4.6
242.13910	1.5
250.07141	14.0
268.08182	48.5
270.13171	1.3
286.09268	4.0
316.13434	1.3
358.14520	1.5
404.15207	5.2
413.38367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10646	1.0
53.03936	1.7
55.01867	3.5
55.05265	1.2
55.05515	18.0
56.05022	1.3
57.03426	2.5
59.04972	1.0
67.05509	10.5
68.05014	1.9
69.03429	5.7
69.07078	4.2
69.43554	5.0
70.06595	9.9
71.04998	86.3
72.08156	2.3
79.05498	12.9
80.33992	0.9
81.03418	2.6
81.07055	6.3
82.06593	1.3
83.04990	2.5
83.08629	7.2
84.04498	1.5
84.08131	5.7
85.02915	1.6
85.05321	0.9
86.06064	3.5
86.09719	1.0
88.03981	3.8
91.05489	14.1
93.07062	6.1
95.04961	2.6
95.08603	2.0
96.04510	1.0
96.08134	10.4
97.02876	2.9
97.06533	1.7
97.10175	9.5
98.06058	3.9
99.04449	0.9
102.05552	0.9
105.07014	2.8
106.06545	1.7
107.04977	1.2
107.08599	10.3
109.06541	1.8
109.10149	2.8
111.08131	4.9
112.07616	3.7
113.92242	0.8
114.05509	1.3
116.07076	1.2
117.07019	2.1
119.08593	1.6
121.10120	1.5
123.08121	2.2
124.07587	4.1
125.09669	5.5
131.75850	0.8
135.08092	5.8
137.05983	2.4
142.08627	1.8
145.10149	1.2
145.54634	0.9
148.07591	1.2
153.09120	3.0
158.08102	3.3
163.11171	1.3
167.07082	1.4
181.05064	1.1
225.70302	0.8
242.10353	16.1
243.10835	0.9
249.04916	1.1
328.21179	3.7
368.78159	0.9
387.14767	1.0
404.22809	100.0
405.23230	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
56.05022	1.5
57.03437	2.1
58.99589	18.4
67.05503	2.2
67.17638	1.1
69.03427	3.3
69.07089	6.2
69.82483	3.5
70.06587	3.1
72.06577	1.0
72.08150	3.0
74.06079	2.7
76.02233	100.0
76.03999	3.8
79.05502	8.3
80.05000	1.3
83.06126	1.3
84.04510	33.9
84.08156	4.7
85.02908	3.9
86.09722	5.1
86.99049	3.4
87.05576	1.0
88.02219	3.0
88.03988	1.5
95.05008	1.5
96.04529	1.6
97.02911	1.1
97.06538	87.6
98.06047	1.2
102.05569	1.4
114.03700	1.2
116.01682	23.3
121.06505	2.2
124.03962	6.9
126.05482	2.5
129.10310	1.0
130.05011	18.8
134.04642	1.0
134.09727	1.2
138.05554	1.2
142.03226	10.5
144.01151	12.7
145.06201	1.1
147.04399	1.2
162.02211	40.7
170.02718	4.7
172.04274	1.1
172.07959	1.4
179.04866	67.8
187.05469	1.2
208.09772	1.1
215.04919	1.3
224.12918	1.0
225.13164	1.4
233.05922	19.8
242.10313	1.5
245.05919	4.8
268.08179	4.1
290.08160	1.7
291.06418	2.3
308.09116	20.2
404.14899	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	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
53.03941	1.7
55.05505	1.2
55.13232	0.5
57.03434	1.4
57.39176	0.5
58.24881	0.5
61.02920	0.5
63.84030	0.5
68.81422	0.4
69.03432	6.3
70.06583	0.6
70.77007	1.1
71.04983	2.1
78.03460	9.0
80.05020	2.6
81.02983	0.9
81.03423	11.2
83.04973	1.7
84.08131	0.9
85.02914	7.0
96.04501	3.6
97.02870	2.8
99.04462	1.4
101.06023	2.8
106.02921	43.5
109.02884	6.5
119.07040	1.0
124.03960	100.0
125.04289	0.6
127.03914	5.0
131.04843	0.5
137.08107	0.9
145.04973	0.6
166.04999	0.9
200.12993	0.5
226.06993	0.6
231.28967	0.5
232.06053	3.6
242.13852	1.0
243.10837	0.6
249.73447	0.6
250.07111	12.1
268.08170	54.7
269.08563	0.9
346.06281	0.6
404.15189	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	403.3571
Annotation	delta-Tocopherol
Peak:m/z	Relative Intensity
53.03937	2.5
54.16070	0.5
54.62559	0.6
55.01874	0.9
55.05499	2.1
57.06822	0.9
57.07081	11.0
59.25300	0.6
65.03939	2.7
67.05511	1.7
69.07066	2.6
70.86098	1.3
71.08636	7.2
79.05489	7.1
81.07068	5.0
83.04971	4.6
83.08620	1.3
85.10189	4.3
91.05486	12.1
93.07032	1.6
95.04968	2.0
95.08614	1.8
97.10197	1.2
99.96537	0.6
105.07040	1.7
107.08607	0.8
109.06526	29.2
119.08538	0.6
123.08089	0.9
125.06011	6.2
129.01865	1.1
133.10121	0.9
135.08064	0.8
137.05986	96.8
139.07536	0.7
146.62387	0.7
147.11586	0.7
151.07562	17.2
151.08791	0.8
155.07039	5.8
161.13348	0.8
165.09123	9.9
178.08653	1.4
179.10672	7.4
193.12254	5.8
196.23883	0.7
207.13794	4.9
221.15424	2.0
235.16965	1.9
249.18588	2.2
263.20126	2.6
277.21646	3.4
291.23337	2.4
305.24789	1.9
313.07535	0.8
319.26321	0.9
333.28101	1.0
347.29492	2.2
385.34637	0.9
403.35733	100.0
404.36121	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3572
Annotation	delta-Tocopherol
Peak:m/z	Relative Intensity
53.03936	1.6
55.05510	1.3
57.06828	0.7
57.07081	12.5
65.03928	2.6
67.05492	1.3
69.03407	0.8
69.07056	2.0
71.04203	1.5
71.08638	7.9
79.05499	9.4
81.07059	6.7
83.04983	5.6
83.08621	1.4
85.10188	4.1
91.05488	10.9
93.07026	1.6
95.04964	1.3
95.08603	1.9
97.10162	0.6
99.89415	0.6
105.07016	1.2
107.08596	1.2
109.06522	30.7
112.71075	0.6
123.08053	1.5
125.06002	7.1
125.98238	0.7
129.01855	1.0
133.10121	1.1
137.05984	100.0
151.07547	19.3
155.07019	4.8
159.42186	0.7
161.13235	0.9
165.09137	9.1
178.08524	0.7
179.10675	6.7
185.08110	1.0
193.12257	4.8
207.13829	3.9
218.50612	0.6
221.15352	3.4
235.16911	1.6
249.18480	1.7
263.20074	1.8
277.21646	1.8
291.23154	1.5
305.24832	1.2
319.26486	1.2
333.27817	0.8
347.29568	2.2
403.35721	79.7
404.36172	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3572
Annotation	4beta-Hydroxycholesterol
Peak:m/z	Relative Intensity
53.03957	2.1
55.01868	2.8
55.05515	12.3
57.03428	1.3
57.07088	7.2
63.00029	0.8
65.03941	0.8
67.05174	1.3
67.05511	16.0
69.03425	1.0
69.07072	27.9
69.59721	5.1
71.08634	4.4
74.78200	0.7
79.05482	2.5
81.07069	6.1
83.04970	1.4
83.08615	12.9
85.10186	2.3
87.69801	0.8
90.74307	0.8
91.05492	10.6
93.07051	47.4
95.04980	3.3
95.08614	31.8
97.06508	1.4
97.10210	4.2
101.36765	0.8
102.48540	0.9
105.04510	1.0
105.07011	3.3
107.08610	5.9
109.06501	2.2
109.10165	2.3
111.07364	1.6
111.08090	24.4
111.11693	1.4
119.08577	2.2
121.06505	4.6
121.10160	2.3
123.08091	2.4
123.11720	1.7
125.09620	2.2
127.07566	3.2
129.01865	2.8
130.02043	0.8
131.08607	1.4
133.10126	2.3
135.08043	1.5
135.11732	1.2
137.09608	1.4
139.00230	0.9
139.07544	24.1
145.10153	1.5
149.09711	1.1
151.11156	1.1
151.48192	0.8
153.09111	15.8
153.10321	1.0
157.01385	1.3
157.08607	5.0
159.11702	1.1
165.09116	1.8
165.12801	1.4
167.06895	1.2
167.10695	8.4
179.10588	1.7
181.12248	7.8
185.08247	0.9
193.12222	2.0
195.13853	9.6
201.16423	0.8
207.13821	6.1
209.15376	5.0
221.15335	2.0
223.16896	2.3
237.18607	1.8
251.20192	3.6
263.20087	1.3
265.21652	6.5
274.83929	0.8
277.21701	2.3
279.23257	2.3
291.23367	1.1
335.29495	2.1
347.29654	1.7
376.90747	1.0
403.35739	100.0
404.36179	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	403.248
Annotation	Macrolactin I
Peak:m/z	Relative Intensity
53.03939	3.8
55.01860	9.0
55.05265	3.9
55.05514	70.9
57.03434	3.1
57.92893	2.3
62.83211	2.6
65.79189	2.9
67.05508	43.1
69.03423	6.1
69.07073	17.9
71.56017	2.3
79.05071	2.9
79.05506	48.2
81.07062	44.0
83.04980	5.5
83.08631	36.8
85.06518	4.3
91.05489	33.1
93.07064	21.0
95.04943	5.8
95.08614	14.4
97.10173	59.6
99.15269	3.0
103.05463	22.2
105.03399	3.1
105.07038	16.2
107.04962	3.5
107.08609	38.0
109.06543	2.6
109.10165	12.8
114.89111	3.0
115.05479	7.0
117.07027	24.1
119.08575	9.8
121.10144	5.6
123.08075	4.8
125.09638	57.9
128.06166	3.1
129.07013	25.9
131.04918	10.1
131.08572	18.8
133.06511	4.0
133.10103	5.3
135.08089	13.3
141.06958	11.2
143.08539	12.3
145.06488	10.3
145.10117	7.4
149.09601	5.9
153.09106	7.4
155.08534	12.1
157.06523	3.0
157.10091	8.9
159.11639	3.8
167.08545	4.0
167.86525	3.4
169.10104	10.3
171.08076	2.9
171.10197	6.0
171.11703	7.5
173.13245	4.5
181.10141	5.9
183.11714	4.6
185.13240	5.0
187.11237	2.9
187.14848	7.8
189.11211	38.2
193.10150	2.8
195.11740	7.3
197.13231	16.2
209.13274	4.5
213.12805	13.2
215.14333	88.5
223.11183	7.1
223.14903	3.0
225.12883	5.1
231.13835	5.7
241.12198	13.2
259.13269	5.7
321.22238	6.9
328.44571	3.2
339.23154	8.6
344.99536	3.0
349.21707	27.7
367.22711	100.0
385.23804	59.2
386.24188	4.1
403.25070	18.7
403.33615	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	403.248
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
55.01865	11.2
55.05514	83.3
57.03446	4.5
67.05511	40.6
69.03429	8.4
69.07063	19.0
70.61736	6.5
71.05002	4.9
72.08160	2.6
77.36509	2.1
79.05500	53.4
80.12727	2.6
81.07059	42.3
83.04984	7.6
83.08619	38.2
91.05476	25.8
93.07059	19.5
95.04983	6.6
95.08611	15.3
97.02904	3.0
97.06568	2.3
97.10174	64.3
103.05479	13.6
105.03430	5.1
105.07041	21.9
107.04993	4.1
107.08605	33.0
108.28729	2.4
109.10184	14.0
115.05442	6.5
117.07016	33.8
119.08623	11.8
121.06502	2.6
121.10157	7.3
123.08038	4.9
125.09632	57.1
128.06215	3.9
129.07002	17.2
131.04932	12.6
131.08554	16.6
133.06487	6.4
133.10117	9.3
135.08046	10.3
135.11693	4.2
137.09615	2.9
141.07002	7.0
143.08580	12.1
143.10562	2.3
145.06537	12.3
145.10130	11.3
147.11661	4.1
149.09636	6.9
149.13226	2.8
152.83704	2.4
153.09126	4.3
155.08586	9.7
157.06526	6.0
157.10115	6.3
159.08055	4.4
159.11710	7.7
161.09578	2.5
165.06921	2.4
167.08601	6.7
169.10107	8.8
171.10263	3.2
171.11723	6.8
173.13275	3.3
181.10144	4.7
185.09550	3.9
185.13271	6.0
187.14816	17.9
189.11223	51.3
195.11674	4.8
197.13191	12.9
199.14842	2.8
213.12733	7.7
215.14322	100.0
223.11186	4.5
231.13821	3.7
233.15395	8.8
241.12228	9.7
241.19675	2.5
259.13242	12.7
331.20581	3.2
339.23199	7.2
349.21750	22.9
354.60498	2.4
367.22672	65.6
385.23718	69.4
403.19971	3.8
403.24930	38.8
403.33344	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	403.2479
Annotation	Macrolactin G
Peak:m/z	Relative Intensity
53.03938	5.9
55.01871	6.2
55.05519	77.6
55.25504	4.6
57.07086	7.1
66.06248	5.1
67.05513	43.8
69.03435	12.6
69.07063	19.6
69.85999	22.4
71.05022	4.5
79.05495	43.6
81.07063	46.7
83.04980	5.7
83.08613	39.3
91.05478	26.9
93.07048	21.5
95.08034	4.0
95.08608	18.4
97.09614	7.5
97.10181	62.4
101.09622	4.5
103.05464	16.0
105.07036	23.0
107.08604	32.1
109.02953	4.6
109.10154	12.8
113.00002	4.8
115.05423	7.0
117.06991	25.1
119.08595	16.5
121.10136	6.9
125.09637	50.2
129.06990	25.8
131.04947	6.4
131.08572	15.1
133.10168	8.7
135.08052	12.9
137.09694	5.6
137.52409	4.4
141.07014	12.5
143.08607	16.4
145.06491	9.4
145.10107	17.4
149.09697	5.5
153.09116	6.5
155.08580	12.1
157.06517	4.9
157.10179	8.8
159.08084	5.9
159.11658	9.8
169.10130	9.3
171.11661	8.6
175.11266	4.3
181.10181	7.8
183.11772	6.4
185.13208	7.0
187.14803	9.8
189.11235	43.8
195.11719	9.1
196.12605	5.2
197.13252	21.6
201.94707	4.8
209.13321	7.2
213.12775	15.1
215.14333	100.0
221.13274	4.7
223.11200	7.4
225.12883	4.9
241.12209	10.7
331.50278	4.6
339.23114	8.0
349.21851	32.1
367.22681	88.3
367.26358	3.3
385.23721	76.3
403.25021	25.6
403.33517	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92022	12.3
55.01868	14.0
55.05501	35.1
57.03435	17.2
67.05514	89.8
69.07072	78.8
70.61385	22.4
79.05499	69.5
81.03433	14.0
81.07075	100.0
83.04966	16.9
83.08613	32.9
91.05476	65.0
93.07052	75.8
95.04978	23.0
95.08598	56.3
97.10143	30.7
105.07021	49.3
105.62948	12.1
107.08597	57.8
109.10149	21.6
117.06973	19.1
119.08593	38.6
121.10139	43.5
125.09625	28.7
131.08560	25.8
133.10127	39.9
135.08000	10.5
135.11693	24.0
143.08562	12.9
145.10135	21.4
147.11670	18.0
149.13280	20.0
157.10167	13.7
159.11694	22.2
189.11206	20.2
227.12839	15.7
255.15881	48.4
257.86740	13.6
269.17508	72.2
274.70438	12.3
275.20062	49.7
286.20056	43.8
349.23801	40.1
384.27341	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	403.2481
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
53.03949	5.0
55.01880	7.0
55.05516	17.4
57.03428	6.1
57.07085	2.3
59.05006	1.9
61.02917	1.8
63.35824	1.1
65.03944	1.8
67.05511	28.1
67.92177	1.2
69.03432	10.0
69.07073	14.7
71.04985	5.3
73.02937	1.4
74.75011	1.1
79.05045	2.5
79.05497	25.4
81.03427	11.9
81.07061	30.0
83.04977	6.7
83.08617	8.8
85.02917	5.4
85.06538	2.3
91.05488	36.5
93.07054	25.5
95.04992	6.3
95.08618	19.5
97.02905	7.2
97.06525	5.2
97.10180	3.1
99.04494	2.2
103.05450	3.2
105.04593	1.6
105.07039	39.3
106.07347	1.5
107.04949	4.3
107.08607	14.9
109.02882	2.7
109.06531	2.7
109.10191	7.5
111.04447	7.4
111.08089	2.5
113.02380	1.9
115.05473	4.2
117.07030	29.9
119.04935	3.5
119.08594	23.9
121.06503	6.0
121.10169	8.7
123.08053	2.3
123.11718	3.0
125.09617	1.7
127.03959	1.5
128.06218	7.5
129.05548	1.7
129.07021	24.9
130.07811	2.7
131.04927	2.3
131.08583	39.9
133.06512	6.7
133.10144	14.8
135.08095	4.1
135.11681	4.3
137.05951	1.7
137.09625	2.5
139.11145	1.8
141.06989	9.2
142.07777	6.1
143.08574	23.2
144.09364	2.2
145.06534	7.6
145.10136	29.9
147.08029	7.7
147.11713	11.4
149.05977	2.1
149.09634	3.6
149.13272	1.8
151.07559	1.6
153.07043	5.7
154.07796	3.8
155.08585	16.1
156.09346	3.2
157.06543	4.4
157.10147	22.5
159.08090	8.0
159.11702	21.7
161.09647	5.7
161.11903	1.6
161.13283	6.1
163.07610	1.9
163.11183	3.8
163.64082	1.4
165.06979	2.6
166.07974	1.3
167.08578	7.2
168.09361	3.7
169.06470	2.3
169.10138	14.0
171.08049	4.5
171.11714	16.8
173.09631	7.8
173.13261	9.6
175.11224	3.5
175.14725	1.6
178.07874	1.4
179.08557	2.5
181.10146	7.7
183.08134	4.0
183.11703	10.5
185.09570	7.8
185.13277	13.0
187.11229	5.0
187.14883	3.7
189.09117	2.1
189.12770	2.7
195.08070	2.9
195.11697	7.4
197.09589	3.5
197.13321	8.8
199.07744	1.6
199.11206	5.0
199.14876	5.8
201.09036	2.3
201.12825	4.6
201.16403	2.0
207.11745	2.0
209.13304	7.8
211.11256	2.4
211.14842	6.2
213.12798	3.3
213.16322	1.6
215.10660	3.4
215.14230	1.6
221.13271	3.1
223.11150	1.7
223.14841	2.7
225.12805	3.2
227.14391	3.3
229.19621	1.7
231.13834	1.6
239.14308	2.8
239.17931	2.5
240.83768	1.4
241.12186	1.8
241.19568	1.5
243.13869	1.8
253.19427	1.7
255.13943	1.5
257.18997	5.5
259.20749	2.2
265.19678	1.8
269.19107	3.9
271.20654	5.0
275.20044	4.3
283.20541	5.1
285.18802	2.6
285.22079	2.8
287.20026	2.8
289.21591	4.2
295.20511	2.6
297.22229	1.4
301.21671	5.5
307.20435	1.5
311.20178	2.2
313.21683	9.4
315.22977	1.7
317.21198	2.4
325.21649	3.6
327.23630	1.7
329.21024	4.0
339.23157	6.9
343.22678	8.3
349.21625	7.0
355.22787	2.2
357.24271	7.0
367.22681	31.4
367.26807	2.6
375.25153	1.5
385.16397	1.7
385.23730	35.8
385.28406	2.2
386.24088	1.9
403.24835	100.0
403.33499	3.8
404.25174	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91648	11.6
55.05501	66.5
67.05502	74.8
69.07056	32.0
70.06587	27.4
70.75491	22.3
70.75835	26.0
72.08146	19.0
79.05477	56.2
81.07059	100.0
83.04971	24.3
83.08629	37.7
91.05474	47.1
93.07029	61.7
95.08588	31.8
97.06529	14.4
97.10175	31.8
101.06023	16.4
105.07019	42.5
107.08575	55.3
109.02883	19.5
109.06515	20.6
109.10149	33.9
117.06976	38.5
119.08572	41.2
121.10115	31.2
125.09594	31.4
129.07001	19.8
133.10101	21.4
135.11668	20.4
145.10170	16.7
153.58440	14.6
159.11664	26.7
165.37538	13.7
173.08089	23.9
176.11499	14.8
189.11200	32.6
203.09053	15.2
215.14296	47.8
255.15869	30.2
256.26389	35.8
269.17398	33.2
349.23706	18.0
367.22656	29.7
385.23624	37.1
402.31827	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	65.5
55.91822	12.8
56.13810	13.2
57.03436	25.7
63.06428	12.8
67.05512	100.0
69.07066	71.5
72.08152	15.4
73.95731	15.0
75.39482	14.8
77.58096	14.1
79.05502	70.6
80.00708	13.7
81.03419	15.4
81.07062	98.1
83.08610	25.7
85.26623	14.3
90.92034	13.0
91.05483	65.7
93.07049	77.3
95.04935	16.5
95.08618	43.4
97.02941	16.5
97.06531	14.0
97.10171	43.1
101.11105	14.1
105.07030	58.5
106.12791	14.7
107.08624	69.2
109.10148	29.9
117.07058	16.4
119.08598	57.4
121.10155	24.3
122.51666	13.0
125.09650	27.8
131.08582	36.1
133.10126	29.8
135.11720	21.4
144.86964	12.6
145.10127	27.7
147.11688	15.8
154.49078	15.3
157.10126	26.1
159.11690	31.0
171.10135	16.0
189.11296	26.8
219.92502	12.5
227.12851	36.3
229.14450	25.1
245.13864	19.1
255.15825	17.6
268.19354	17.2
269.17572	29.4
275.20041	43.4
286.20148	44.8
323.42731	14.4
349.23807	32.0
385.23596	18.0
403.24643	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01859	2.2
55.05272	1.4
55.05513	18.5
57.03432	6.8
57.07079	100.0
65.03932	1.0
67.05506	35.5
69.03432	23.8
69.06726	1.9
69.07072	24.3
69.39128	2.8
69.39553	5.6
71.04987	2.5
71.08635	79.3
73.02891	1.9
79.05496	3.9
81.02981	2.0
81.03426	25.1
81.03907	1.4
81.07062	51.3
83.08144	2.1
83.08624	34.0
84.42638	1.0
85.02913	32.9
85.06540	1.3
85.10188	42.1
88.07585	1.4
89.06063	1.6
91.05479	1.6
93.07037	4.3
95.08612	76.8
97.02894	16.8
97.10178	18.8
99.04456	9.5
99.08075	1.4
99.11736	4.5
101.02414	1.6
105.07012	1.8
106.38757	1.1
107.08588	4.3
109.02881	10.5
109.06481	1.7
109.10163	36.4
111.11729	6.7
119.08590	1.9
121.10141	1.9
123.08086	1.1
123.11720	15.5
125.13298	5.1
127.03928	24.1
127.14921	1.3
131.08612	1.6
133.10139	1.6
133.62518	1.1
135.08022	1.2
135.11658	2.0
137.05989	1.6
137.13263	9.0
138.08891	1.0
139.14810	2.5
145.04959	9.7
149.09573	1.5
151.14809	3.0
165.16409	2.8
171.46997	1.0
178.13043	1.1
190.52435	1.2
205.67926	1.1
212.23122	1.1
221.22685	4.9
239.23717	46.5
242.44678	1.2
257.24744	5.2
266.97409	1.2
276.09137	1.1
309.81284	1.1
341.26904	2.5
383.27896	9.3
401.28552	3.2
401.33990	3.3
401.38248	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	401.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.9
55.05501	12.6
57.07062	11.3
65.03938	2.9
67.05502	23.3
69.07071	19.9
70.96824	4.1
70.97164	6.6
71.04995	14.3
74.16908	2.6
79.05491	12.8
80.49287	2.4
81.07055	42.8
83.08604	15.2
85.06562	3.2
87.62719	2.9
91.05499	16.9
92.43336	2.8
93.07056	37.9
95.08613	70.2
97.10138	3.4
101.55514	3.2
105.07028	38.6
107.08592	50.7
109.10167	49.0
111.11752	3.5
117.07014	3.6
119.08595	46.1
121.10148	38.2
123.08041	3.2
123.11684	15.5
127.11179	6.5
131.08571	8.7
133.10147	34.8
135.11707	39.9
137.09564	3.9
137.13254	46.2
143.08592	4.0
145.10115	13.8
147.11694	31.5
149.13249	14.7
151.14769	5.2
155.14294	12.3
157.10149	5.2
159.11661	15.1
161.13275	21.8
163.14804	4.3
173.13242	9.2
175.14848	10.3
179.14308	2.9
185.13280	3.1
187.14877	13.4
189.16406	10.6
191.14360	4.2
191.17982	16.3
193.15913	15.2
199.14948	4.3
201.16321	13.6
203.17970	100.0
204.18242	4.3
211.16862	3.7
215.17943	5.7
217.19556	17.7
227.18073	5.4
229.19495	3.4
230.50781	2.8
241.19553	3.0
256.96555	2.8
281.22714	3.0
283.24271	4.3
306.99417	3.1
348.58859	3.2
365.31830	4.2
383.33118	53.2
385.14474	14.5
386.15042	12.0
399.16019	3.7
400.16992	3.2
401.17816	80.1
401.34125	46.7
402.18518	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01863	1.5
55.05513	2.1
57.03437	1.2
60.04519	0.9
61.02925	0.8
67.05513	1.4
68.05020	1.0
69.03442	3.9
69.07056	1.1
70.04079	76.0
70.06597	4.3
71.05013	0.8
71.55042	0.7
72.08153	8.2
73.37105	0.5
79.05491	2.1
81.02962	0.6
81.03433	2.5
81.07061	2.5
83.05000	0.6
83.06094	0.9
84.04510	1.4
84.08139	2.6
84.99583	0.5
85.02908	7.0
85.06570	0.5
86.06062	3.5
86.09716	9.6
87.05587	2.9
88.03999	0.6
91.05496	1.6
93.07067	3.0
93.07574	0.5
94.06627	0.7
95.04976	1.8
95.06106	1.3
95.08614	8.4
97.02891	2.7
97.06549	0.5
98.06100	0.8
99.04449	1.3
99.08114	1.6
103.05474	3.3
106.02930	1.0
107.04975	2.4
107.08595	4.2
109.02882	1.4
109.06511	4.8
109.10122	0.6
110.07183	5.4
111.08072	2.2
115.38682	0.6
116.07160	1.5
117.58889	0.6
118.06587	1.2
119.04942	1.1
119.07353	2.7
119.08605	1.0
120.08103	1.1
122.02749	1.3
123.00774	0.8
123.04443	0.8
123.08060	9.4
124.01109	0.7
124.03963	1.5
124.07542	0.8
125.09650	2.7
127.03931	1.3
129.10242	0.9
131.04930	14.2
134.06006	1.7
135.06804	1.4
135.08046	1.1
136.07562	3.0
137.05949	1.0
138.09120	0.7
141.01862	0.9
141.06613	0.7
141.09114	11.0
141.10187	1.2
141.35820	0.6
146.06033	1.2
147.04390	0.8
153.09123	2.5
154.08604	2.0
156.07686	0.7
165.05463	0.6
166.08656	0.9
169.09766	1.0
175.11906	1.0
181.04971	4.5
182.05312	4.4
183.11261	0.8
186.12296	0.7
190.05008	0.6
209.02632	0.7
209.08060	0.9
210.12473	2.8
214.11928	2.0
222.12494	1.1
228.13541	1.6
235.07607	1.3
237.09717	0.8
240.13443	100.0
241.13794	1.9
252.10136	1.1
254.11768	1.6
268.08258	0.8
268.15213	0.8
269.12897	4.4
270.11267	0.8
276.35822	0.6
298.10629	0.9
306.06818	2.0
315.13425	2.5
338.20593	0.7
343.66501	1.0
356.16586	0.7
357.14587	5.2
384.21240	2.3
402.17386	0.7
402.22116	2.4
403.14847	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93890	1.5
53.03949	4.0
55.05517	16.3
57.03433	5.5
57.07079	100.0
59.68948	1.6
66.22744	1.5
67.05507	38.7
69.03433	27.0
69.07075	29.5
70.06483	4.3
70.06879	3.0
71.05000	3.1
71.08635	76.0
73.16053	1.9
79.05496	4.6
81.03417	24.9
81.07064	45.5
83.08619	34.7
85.02906	26.9
85.06556	1.9
85.10189	41.7
91.05507	2.3
93.07040	6.3
95.08612	72.5
97.02901	16.6
97.10161	16.2
98.21438	1.9
99.04461	9.9
99.11751	3.8
105.07000	3.6
107.08579	3.4
109.02888	11.8
109.10161	36.2
109.79939	1.7
111.11745	5.5
119.08572	5.1
121.10132	3.4
123.11707	15.7
125.13283	4.5
127.03909	19.5
129.07021	1.8
132.00208	1.9
133.10135	2.3
135.11728	2.6
137.13271	7.2
139.14740	2.2
143.08588	1.9
145.04924	8.5
145.10101	3.7
151.14876	4.1
155.08588	1.8
165.16464	2.7
169.10307	1.7
182.04489	1.6
221.22713	3.1
239.23700	38.8
240.24129	2.3
257.24741	3.2
260.56616	1.8
327.37360	1.8
383.28104	9.7
401.28854	4.8
401.33942	3.7
401.38394	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	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12063	1.8
53.03929	5.1
55.01859	6.4
55.05516	10.8
57.07079	85.4
58.19664	2.0
64.16111	1.7
67.05512	25.3
69.03428	11.8
69.07068	22.6
70.06609	2.1
71.01354	2.2
71.04984	6.0
71.08636	63.5
73.02933	2.6
79.05489	4.9
81.03413	14.7
81.07062	34.1
82.30576	1.9
83.08619	29.8
85.02903	3.8
85.10191	35.0
88.07638	2.0
91.05473	2.5
93.07043	2.6
95.08614	52.2
97.02897	94.5
97.10176	14.3
99.04458	25.0
99.11711	2.8
105.07054	2.0
109.02881	14.5
109.09462	2.5
109.10155	31.3
111.11705	6.1
113.13295	3.0
119.08530	1.6
123.11714	18.8
125.13263	5.7
127.03926	40.0
130.88388	1.9
137.13258	7.4
139.14838	2.6
145.04982	5.2
151.14783	4.4
165.16356	1.9
221.22585	6.7
239.23701	100.0
240.23953	1.9
242.73048	1.7
257.24829	2.5
285.61484	1.9
319.20612	1.8
331.60538	1.8
335.25699	2.9
382.80276	1.9
383.27716	2.8
401.28577	4.2
401.38190	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	401.284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95185	3.9
53.03936	5.1
55.05503	10.4
57.07071	6.2
67.05502	18.7
69.07056	14.3
69.54086	18.1
69.54491	6.5
71.04987	9.7
71.08630	3.7
79.05507	27.9
81.07059	39.2
83.08605	8.1
91.05488	48.7
93.07059	52.3
95.04942	11.1
95.08607	28.6
103.05460	4.6
105.07032	100.0
107.08591	50.8
109.06518	61.9
109.10163	19.1
111.08060	9.7
115.05469	7.0
116.06229	4.6
117.07026	29.6
119.07794	6.1
119.08592	90.0
121.10154	23.6
128.06201	13.6
129.07005	19.1
130.07813	9.1
131.08589	63.8
133.10139	78.9
135.08047	15.1
135.11687	23.9
137.09613	6.9
141.06987	13.4
142.07808	33.9
143.08569	47.7
144.09322	8.4
145.10129	96.8
147.08066	7.7
147.11731	20.1
149.09622	4.5
153.06976	3.8
155.08629	17.7
156.09346	24.2
157.10139	63.7
158.10979	16.2
159.11731	40.4
161.13216	8.2
165.07027	8.1
167.08574	11.4
168.09398	6.7
169.10159	23.9
170.10880	12.9
171.11723	26.2
172.12474	6.5
173.13275	38.2
175.11150	5.0
175.14841	15.0
179.08546	14.1
180.09325	5.6
181.10133	15.9
182.10934	8.0
182.93335	3.3
183.11688	27.2
184.12437	4.3
185.13264	17.2
187.14798	36.3
192.09419	4.0
193.10130	14.2
194.10902	12.6
195.11682	25.4
196.12410	5.8
197.13194	18.6
199.14824	18.8
201.12715	8.8
201.16228	4.0
205.10092	3.4
206.10872	9.3
207.11665	11.9
208.12476	4.8
209.13278	26.7
210.14236	4.0
211.14792	7.7
213.12668	5.4
213.16400	3.5
213.55611	3.3
221.13332	18.6
223.14844	7.6
225.07123	3.7
225.16316	4.1
233.13290	7.0
235.14755	7.7
237.16403	8.0
245.13284	4.1
249.16412	5.3
259.14880	4.6
261.16452	5.7
265.19635	6.8
287.17883	3.8
343.24066	5.5
387.73080	3.8
401.13766	16.6
401.17654	20.3
401.22147	5.0
401.22964	4.0
401.28329	38.0
402.18491	5.6
402.28604	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33221	1.0
55.05516	1.2
55.48141	0.9
57.03436	1.0
69.03429	1.7
70.06583	4.5
70.70865	1.0
71.10653	2.2
72.08157	7.7
73.08495	1.7
80.05033	0.9
81.03427	1.6
81.43667	0.9
84.04513	2.7
85.02917	2.1
86.09709	2.8
88.03987	2.9
91.05495	2.3
93.05795	0.9
95.04976	1.1
97.02917	1.3
112.64925	1.1
116.07056	1.0
119.04981	1.3
123.05580	3.3
126.03742	15.6
130.04977	1.0
137.35789	0.9
147.04411	2.9
148.41269	0.9
150.09268	1.0
152.07184	1.2
165.07016	2.6
167.08551	4.7
171.08130	1.8
177.07013	2.1
178.07799	5.7
179.08549	3.3
181.04945	3.7
181.06474	1.3
181.10149	1.7
182.07031	0.9
184.08807	1.0
191.08542	12.2
193.10165	5.0
194.07251	2.3
195.08043	7.0
197.07706	1.0
197.09705	1.8
197.42563	1.2
201.06856	1.3
202.07785	1.5
203.08569	4.4
205.42703	1.0
207.08098	2.9
208.08881	1.9
209.09709	5.8
213.09033	1.0
214.00824	1.0
217.08838	2.0
219.06226	0.7
219.08073	17.6
221.09724	8.1
223.07484	4.5
225.09106	3.4
226.12265	2.4
227.07159	3.1
235.09969	2.9
236.08649	1.3
236.10722	6.8
237.09151	3.8
237.11600	1.7
238.12292	12.6
239.13060	3.2
240.10190	10.2
241.08543	1.1
243.45421	1.0
247.07480	2.3
250.12282	10.1
252.13890	10.9
254.11694	12.1
263.02249	1.2
265.08630	7.3
267.10327	2.0
267.14932	68.0
268.13284	21.3
269.08066	3.4
278.11850	2.4
282.11307	10.9
284.12955	1.0
296.12778	10.4
309.16016	13.2
311.09180	2.7
313.15466	40.7
314.13531	1.8
324.12335	4.1
337.22784	1.2
338.50708	1.1
342.13397	5.8
355.16528	100.0
356.16901	3.3
359.16049	19.7
367.92938	1.0
383.18930	1.5
401.17139	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
55.01862	2.0
55.05509	4.0
57.03427	2.1
65.03925	2.6
67.05498	7.6
69.03429	6.7
69.07063	6.2
69.73916	11.5
70.06590	5.0
71.04962	3.2
72.08153	4.3
78.04680	2.0
79.05489	21.2
81.07076	13.7
83.04985	1.8
84.31818	2.0
85.02912	2.7
91.05484	12.2
93.07047	10.1
95.04959	7.7
95.08600	8.0
97.02891	22.6
97.06522	8.7
97.10190	3.5
98.03228	2.9
98.21507	2.4
103.05418	2.6
105.07025	9.0
107.04954	36.7
107.08614	4.2
109.06495	4.4
109.10140	5.2
111.04428	1.9
115.05460	5.5
116.06242	3.0
117.06986	5.6
119.04971	2.2
119.08559	7.7
120.08118	1.9
121.06525	4.3
121.10133	5.1
123.04446	9.0
123.11678	2.5
124.05218	8.1
125.05981	5.5
125.33422	2.0
127.03864	1.8
128.06209	4.0
129.06987	8.2
130.07796	1.9
131.04881	2.1
131.08592	12.7
131.43356	1.9
132.05678	3.4
132.93379	1.9
133.10130	2.8
136.07610	10.8
137.06004	2.6
141.06981	5.8
143.08521	4.4
144.05688	6.6
145.06456	4.8
145.10161	3.2
147.04388	3.6
147.08034	3.3
148.07509	2.0
149.02400	2.4
151.03879	3.3
151.07596	2.1
152.04677	5.4
153.01852	7.0
153.05475	14.7
155.08557	2.4
156.05692	12.2
157.06483	4.9
157.10124	2.4
158.07275	4.4
159.08034	16.8
161.05992	3.0
161.13297	2.0
163.03918	3.2
163.48595	1.8
164.07036	9.8
165.09077	3.6
167.07051	100.0
171.11899	2.0
172.05318	2.1
173.05962	4.3
175.07513	4.4
179.07025	3.1
181.04956	4.5
181.08582	3.9
184.05246	4.4
186.06790	4.4
187.07503	12.0
189.07086	2.3
191.06963	4.0
193.06567	3.3
193.08623	4.6
195.06535	3.7
202.06192	4.8
202.07869	2.9
203.08614	4.0
204.14128	2.0
205.06682	3.6
205.08569	16.1
206.11221	1.9
207.06415	5.1
207.08180	2.4
207.10043	2.2
208.05190	23.5
208.08817	2.7
210.06702	2.4
211.07608	2.8
213.05547	2.8
217.08606	36.0
218.07230	2.3
219.08047	12.1
219.10216	7.9
220.08931	4.3
221.05962	6.6
223.07585	2.3
224.04799	2.2
225.05420	2.5
226.05962	1.8
229.08632	5.0
230.07317	3.4
231.08031	5.8
231.10159	3.6
232.09262	3.5
233.05956	3.1
233.09633	3.1
234.06693	2.6
235.07516	5.0
235.09528	2.2
236.04660	7.0
236.08362	4.2
238.06261	2.6
239.07008	3.9
240.04231	3.4
243.62363	2.0
247.07487	16.8
247.09712	22.6
248.08296	11.0
249.05516	2.7
249.09076	4.5
250.06381	2.4
251.07076	3.3
251.10632	3.3
254.05769	10.1
255.06329	2.7
257.04398	3.4
260.08865	4.0
261.08990	4.3
262.09863	2.7
263.07019	2.5
263.10629	9.9
264.07849	7.0
265.08575	4.5
266.05765	3.0
266.09991	2.1
267.06509	8.0
268.03683	3.4
269.08130	24.6
271.09647	8.2
272.06711	3.5
275.06955	8.0
276.07831	8.6
277.08621	6.1
279.10144	7.6
281.08115	2.9
282.05557	4.5
282.08856	17.3
287.09152	3.0
290.09256	3.0
291.06851	3.8
291.10150	13.0
292.07315	2.9
293.08005	7.2
295.09491	2.0
299.09177	5.9
300.06314	2.8
300.09985	2.0
301.07083	4.0
304.07465	3.0
305.07962	5.1
305.11313	2.6
307.09647	9.1
308.10373	7.1
310.08322	7.3
311.09100	2.3
311.12811	3.4
315.08615	83.9
316.09286	3.1
319.09692	7.0
320.10535	3.0
321.07520	5.9
321.11246	2.8
323.12744	14.2
324.10233	2.4
328.09482	6.3
330.10965	94.0
331.11777	14.0
336.09924	5.9
337.10547	7.0
339.12262	10.6
341.10132	2.6
343.11804	17.3
351.12222	24.9
352.12888	4.9
353.10147	6.8
355.11755	2.4
356.12589	3.6
368.12476	8.5
369.13333	3.6
371.14862	5.6
377.36487	2.2
383.15002	62.1
401.11621	4.8
401.15857	19.5
401.26810	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21442	2.0
65.03948	2.2
67.05499	2.8
67.55531	1.8
67.55903	2.3
69.03382	2.0
69.07088	1.9
70.06593	7.1
70.70740	4.6
71.05003	2.2
72.08147	5.6
79.05496	16.3
81.03425	3.3
81.07048	6.6
83.08617	2.0
84.08138	2.3
85.02875	2.4
86.09708	5.4
91.05477	10.2
93.07059	5.1
94.06515	2.2
95.04977	3.8
95.08615	3.8
97.02898	34.6
98.03220	10.0
98.68781	1.8
105.07033	6.2
107.04962	34.1
107.08599	4.0
109.06468	3.2
109.10179	2.7
115.05494	2.7
116.06250	2.6
117.07021	1.8
119.08557	3.3
122.06096	3.7
123.04411	3.2
124.03979	3.2
124.05234	5.2
125.04349	2.5
125.05950	2.8
128.06255	3.4
128.07143	1.9
129.07025	6.4
131.04922	2.6
131.08574	9.0
133.06483	3.5
135.04451	2.2
135.11688	3.3
137.05983	5.3
141.06966	5.2
144.05717	8.1
145.06497	5.8
145.10150	2.0
146.03682	2.3
147.04402	3.4
149.05949	4.9
151.03941	2.0
151.07568	2.8
153.01799	3.3
153.05478	2.7
153.84891	2.1
156.05656	12.4
157.06453	2.2
158.07271	2.4
159.08076	13.5
161.06024	4.4
163.03941	3.0
167.07050	100.0
169.06470	2.6
173.06020	4.3
174.06709	2.1
177.05573	2.2
180.09286	2.6
181.04988	4.7
184.05170	4.1
186.06796	4.4
187.07513	10.2
190.07697	2.6
194.08113	6.0
195.06549	3.0
202.06281	5.9
202.07924	2.8
203.06978	2.7
205.06865	2.9
205.08575	14.1
207.06541	5.7
208.05193	19.3
211.07558	3.6
217.08597	31.9
218.07193	2.9
219.08061	9.2
219.10274	5.7
220.05972	2.4
220.08838	5.5
221.06218	8.5
229.08652	3.4
231.08083	7.7
231.10199	3.6
232.08838	2.7
233.05911	2.5
233.09607	5.7
235.07501	3.6
236.04741	5.5
236.08339	4.8
238.06479	3.4
239.07236	1.9
240.04253	2.9
243.49319	1.9
245.09729	2.0
247.07487	12.8
247.09709	17.1
248.08301	11.7
249.09120	5.2
250.06444	3.1
251.10704	3.4
254.05640	9.1
259.07562	2.4
261.09140	7.2
262.09833	3.1
263.07144	5.4
263.10666	8.6
264.07791	6.5
265.08633	6.3
267.06509	6.7
268.03622	4.0
269.08112	21.0
271.06232	2.3
271.09653	8.0
272.06830	6.6
273.08899	2.4
275.06973	5.7
276.07797	7.8
277.08563	5.9
278.05911	2.4
279.10126	7.2
281.08105	3.7
282.05713	4.9
282.08917	14.6
290.09360	6.9
291.10190	13.4
292.07324	4.7
293.08124	10.0
293.43661	2.5
297.07532	2.9
299.09076	4.1
301.07086	3.2
305.07867	2.6
307.09592	11.7
308.10501	7.0
310.08435	7.2
311.12750	2.5
315.08630	68.5
316.09210	4.2
319.09726	7.5
321.07611	2.3
321.11038	2.6
322.08224	3.1
323.09476	3.2
323.12759	15.8
328.09293	5.7
330.10992	80.1
331.11691	10.6
336.09814	6.0
337.10645	6.6
339.12329	9.7
341.14917	5.7
343.11771	18.0
351.12308	30.7
352.12723	4.3
353.10138	3.3
368.12582	8.7
369.13513	5.8
371.14963	3.1
383.10175	4.4
383.14941	63.3
384.15158	2.6
401.16498	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
55.05503	11.3
61.01147	5.3
67.05506	30.9
69.03423	5.2
69.07073	13.7
69.41249	34.3
70.06201	5.1
70.06596	100.0
71.04977	16.6
72.08160	20.9
79.05491	25.0
81.03418	8.3
81.07066	31.7
83.04970	4.3
83.08628	6.9
84.08138	29.5
85.02894	9.4
85.06535	4.6
86.09716	26.4
91.05484	22.7
92.55087	4.5
93.07050	11.5
95.04974	8.9
95.08609	25.4
97.02892	32.0
97.06513	6.9
98.03223	5.9
99.04463	3.8
101.07212	4.1
103.05469	5.5
105.07011	11.8
107.04963	31.4
107.08601	15.8
109.10174	8.6
110.07206	3.9
115.05473	4.5
117.07051	6.5
118.06886	13.4
119.04982	4.9
119.08597	6.6
120.08125	8.6
121.06497	5.5
121.10147	9.1
123.04435	6.1
123.11723	5.2
124.05224	5.3
124.07681	4.8
125.06030	4.4
125.91003	4.0
127.03924	5.5
129.06982	7.1
129.10231	10.9
131.08553	18.5
132.05708	5.6
132.08160	3.8
133.10182	4.5
135.04395	4.7
136.07552	17.0
137.05988	6.7
141.07022	6.2
144.05630	5.5
145.06537	8.7
145.10135	5.5
147.04453	8.6
149.06021	6.0
153.01791	6.5
153.05527	7.8
156.05701	15.9
159.08083	11.4
159.09204	11.9
163.03873	11.5
163.11243	4.8
164.07065	16.6
167.07048	95.0
169.06483	5.5
169.25774	3.8
173.05943	5.2
177.05525	4.5
181.04987	10.4
187.07547	13.5
203.08742	4.7
205.08635	21.6
207.06529	7.5
208.05199	16.0
209.45891	3.6
210.06772	6.6
217.08586	37.7
219.08131	9.7
219.10194	10.0
220.08704	4.8
221.06204	5.8
229.08774	5.0
231.07979	9.3
236.04677	5.1
245.09633	5.3
247.07521	13.9
247.09731	25.5
248.08482	13.6
251.10738	4.9
251.20293	4.3
254.05766	5.0
260.09085	4.0
261.09158	7.2
262.09747	4.2
263.07147	4.5
263.10638	9.3
264.07822	7.5
265.08563	7.1
266.14133	5.6
267.06528	6.3
269.08041	19.2
271.09683	11.8
272.06818	4.4
274.12341	4.8
275.07016	7.0
276.07715	6.0
282.08865	13.3
285.07538	4.2
290.09232	5.5
291.10187	15.5
293.08069	9.6
299.09195	9.2
307.09610	9.4
308.10452	5.2
310.08194	10.1
313.37848	4.4
315.08569	53.8
319.09857	5.9
321.07483	4.9
323.12695	12.8
330.10971	68.4
331.11780	16.8
337.10785	10.9
339.12173	7.8
343.11801	16.0
351.12180	23.8
353.10080	6.8
356.12729	6.0
368.12720	8.8
369.13324	4.2
383.14969	56.6
400.03003	4.5
401.11539	7.4
401.16025	23.6
401.21350	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	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66776	4.5
59.13734	5.1
65.03949	4.7
67.64540	4.1
69.03414	6.8
70.00804	19.5
76.16531	5.1
79.05502	8.3
81.07053	10.0
84.08148	8.6
91.05485	12.1
92.46329	4.9
95.04945	10.4
97.02901	38.4
98.03214	6.3
98.21491	7.7
99.46938	4.5
99.84216	4.2
100.51233	4.3
107.04961	33.3
115.43350	5.2
116.18198	4.5
118.85152	4.8
121.06451	7.5
123.04440	6.9
124.05209	9.0
129.07024	9.2
131.08575	18.0
136.07579	17.1
137.06015	5.3
144.05719	7.6
153.05501	13.9
156.05728	19.8
158.07297	7.0
159.08075	18.0
161.05984	6.2
163.03914	5.3
164.07065	19.9
167.07068	100.0
179.06963	5.1
181.04921	7.3
184.05255	7.6
187.07516	13.1
195.06526	5.3
202.06247	5.2
205.08672	15.9
208.05190	21.2
217.08629	42.2
219.08102	15.8
219.10118	8.1
220.09793	6.6
221.06142	12.5
231.08034	11.7
233.09813	6.1
236.04634	7.6
245.09569	6.8
247.07500	7.4
247.09602	27.3
248.08795	8.0
260.09079	10.2
263.10443	6.3
264.07901	12.1
267.06500	7.0
268.03659	7.1
269.08011	23.6
271.09631	12.2
276.07944	11.4
277.08475	9.7
279.10162	12.4
282.08884	17.2
290.09320	6.8
291.10175	15.6
292.72241	5.6
293.08029	8.8
301.06732	6.8
307.09537	10.4
308.10455	5.6
309.07605	6.3
315.08685	61.9
319.09552	9.1
323.12784	13.3
330.10986	73.1
331.11731	11.2
336.09677	6.6
339.12402	10.9
343.11725	16.2
351.12268	25.4
356.12347	6.0
368.12524	15.7
383.14960	68.5
401.15900	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	401.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53370	2.0
56.96561	7.8
65.18553	2.0
67.88396	1.8
70.71796	6.3
71.95270	3.6
98.97588	100.0
110.58266	2.2
116.98628	79.1
134.99663	40.0
142.29285	1.9
153.00764	4.9
171.09799	9.8
177.00937	2.6
179.00792	2.2
189.10988	2.9
219.02055	5.1
232.96500	5.2
234.99919	4.7
240.98761	4.2
243.01805	2.3
252.97495	2.0
256.96429	3.8
258.99780	71.4
261.00015	4.5
261.03107	13.7
262.03247	3.7
263.03088	6.6
274.97543	39.7
275.97958	6.9
276.97681	9.6
277.00793	84.2
278.00970	4.2
279.00690	3.2
282.01236	3.6
282.99918	11.9
284.99725	7.0
292.98529	20.3
294.98831	5.1
300.02182	3.6
301.00955	19.8
302.01245	3.1
303.00894	10.3
331.11838	6.4
343.02322	2.7
383.00186	6.4
401.01227	23.2
402.01041	2.8
418.97702	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.9
61.50205	3.0
65.03925	3.9
67.05495	6.1
69.03425	6.5
69.97575	11.8
70.06592	21.8
71.05000	5.0
72.08177	18.2
72.22028	3.2
74.95488	3.9
79.05503	21.4
81.03403	4.5
81.07061	7.2
81.96831	4.2
83.08563	3.1
84.08138	7.0
85.02888	7.1
86.09724	20.0
91.05476	9.0
93.07034	6.9
95.04949	5.7
95.08597	5.3
97.02903	20.6
97.06470	3.8
105.07026	6.2
105.45528	3.9
107.04961	37.5
109.02892	3.9
111.04419	5.4
111.08091	4.7
117.07048	3.9
119.04923	5.3
119.08613	4.6
123.04436	8.0
124.05255	5.6
124.07581	4.1
125.06059	3.8
128.06221	4.9
129.07011	8.0
131.08578	16.2
133.10187	4.0
136.07556	6.9
136.08775	3.6
137.06024	6.7
141.06996	5.1
142.94148	3.8
144.05745	9.8
145.06560	5.7
145.10170	5.5
147.04448	12.0
149.02324	5.9
153.05421	5.2
154.08638	22.0
156.05728	12.5
157.06522	4.8
159.08031	19.5
161.05843	4.7
164.07092	5.7
167.07043	100.0
167.08434	6.6
173.06122	3.9
175.11806	5.0
181.04988	6.6
181.12190	4.7
184.05150	5.3
187.07579	15.5
191.10658	4.1
202.06291	8.5
202.07896	4.0
205.06828	3.9
205.08586	17.5
207.06496	8.4
208.05232	19.4
210.06726	4.6
217.08572	48.4
218.07178	4.1
219.08081	17.9
219.10027	5.0
221.06085	8.4
229.08492	5.4
231.08089	9.3
232.08817	4.5
233.09708	5.6
235.07704	5.1
236.04732	7.8
247.07535	12.4
247.09677	24.9
248.08330	13.8
249.05562	3.7
254.05792	8.7
259.07336	4.7
260.08414	4.0
261.08936	3.9
263.10672	9.7
264.07874	8.6
265.08542	5.4
267.06506	7.7
269.08096	21.2
271.09644	11.0
275.07144	6.6
276.07895	6.6
277.08749	5.1
279.10031	9.3
281.08203	4.4
282.08926	13.2
285.07584	3.6
291.10202	14.2
292.07327	5.2
293.08096	10.8
299.09103	6.9
300.06479	3.5
304.07166	4.0
305.08008	4.7
307.09549	11.5
308.10541	5.9
309.11252	4.7
310.08350	6.0
311.12622	3.5
315.08636	57.7
319.09564	9.5
321.07639	4.9
323.12738	15.8
328.09222	4.8
330.10965	76.4
331.11679	15.0
335.09024	4.0
336.09967	6.0
337.10648	8.5
339.12280	11.3
343.11700	15.5
351.12222	25.0
353.09943	8.8
368.12314	10.2
369.13120	3.8
371.14935	6.4
383.14941	67.2
401.16733	21.2
401.23575	22.4
409.03592	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	400.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49531	0.3
53.03947	0.3
55.01882	0.6
56.05029	0.4
57.03434	1.8
69.03432	3.4
69.46117	0.2
70.00662	1.3
70.06594	0.9
71.01359	0.4
72.08160	1.9
73.02913	1.1
79.65041	0.2
81.03426	0.5
84.08143	0.5
85.02908	2.5
87.04437	0.3
88.03976	0.5
89.06031	0.3
94.04051	0.4
95.04947	0.3
97.02899	4.7
99.04453	0.5
100.07623	0.3
109.02884	0.3
110.02428	0.3
115.03931	0.9
119.03543	1.0
124.03913	0.4
124.41474	0.3
127.03912	0.4
132.08061	0.3
133.04979	1.3
135.04424	0.3
135.69081	0.3
136.06192	100.0
137.04607	0.9
137.06625	0.6
148.06161	0.4
151.07550	0.7
152.07083	1.2
157.04921	0.5
160.07619	0.9
190.08646	1.0
192.10187	8.8
193.10487	0.3
220.05896	0.6
236.09113	0.4
238.10751	8.8
268.10434	8.4
324.05597	0.3
354.15469	0.3
400.15472	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	400.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55163	1.2
53.68753	1.2
55.01858	6.1
55.05495	2.5
56.05013	3.4
57.03439	12.3
59.01686	1.2
61.02930	6.9
67.05493	3.2
68.05006	5.3
69.03432	20.4
69.07062	2.3
70.06600	10.1
70.82082	1.4
71.04982	2.3
71.55173	1.7
72.08145	3.0
73.02921	41.9
73.38669	1.4
79.05475	4.1
81.03426	9.3
81.04523	1.7
81.07040	2.9
82.05318	2.2
83.04960	2.9
83.05720	1.4
83.06111	18.0
83.08629	1.5
84.08125	2.7
85.02911	58.6
86.09695	1.9
87.04465	3.5
87.81413	1.5
91.03929	2.9
91.05474	2.6
93.04548	10.6
93.07027	2.7
95.04945	2.6
95.06104	10.0
95.08604	1.7
97.02898	40.0
97.06497	4.3
99.04443	3.6
101.68657	1.5
103.03923	1.6
105.07040	2.4
107.06082	2.1
108.06865	2.9
109.02877	4.2
109.06451	3.7
109.07634	5.3
110.07175	27.9
114.05562	2.4
115.03944	16.2
116.07091	9.7
119.06072	2.3
119.08551	1.6
120.08111	1.9
121.07648	10.9
121.10139	3.1
124.03982	2.8
127.03916	20.6
131.08546	1.8
133.04956	20.2
136.08708	100.0
137.08963	1.9
137.44026	1.7
145.04973	25.0
147.08029	1.6
154.08589	1.5
156.07661	1.6
163.06007	12.4
166.23161	1.4
182.09264	46.9
182.10896	2.3
193.04984	1.4
193.12103	1.7
195.72571	1.5
217.06963	1.8
220.06003	2.7
223.05946	3.2
241.07040	3.6
245.22437	1.4
251.14752	2.1
254.17422	1.7
259.08206	4.0
267.15829	1.5
303.16739	1.6
308.19495	5.4
336.19226	12.6
338.23117	1.5
354.20309	10.3
356.20776	1.6
382.05731	1.7
382.22000	7.8
400.16330	3.5
400.20697	51.5
401.20776	2.2
411.18268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.6
55.05517	16.0
57.07067	5.1
57.34225	1.4
59.04999	1.9
61.39636	1.5
67.05511	21.6
69.07082	15.4
70.74120	4.7
70.88282	1.7
71.05008	2.7
73.05762	1.5
77.31861	1.3
79.05505	13.0
81.07065	46.4
83.04983	3.3
83.08632	10.2
85.06542	5.7
90.22135	1.9
91.05470	11.6
91.32724	1.5
93.07056	38.6
95.08620	100.0
97.06534	2.2
97.10173	4.5
99.04473	3.4
101.06018	7.1
105.07037	25.4
107.08603	54.6
108.08884	1.4
109.06562	3.1
109.10170	39.1
111.04516	1.7
115.07605	1.7
117.07058	1.7
119.08591	27.3
121.10157	44.1
123.11713	15.0
127.07563	1.9
131.08557	9.2
133.10141	25.1
135.08049	4.6
135.11710	53.4
137.13264	6.7
143.08565	1.6
145.10149	9.0
147.11700	24.8
149.09669	2.6
149.13280	34.1
151.14862	1.5
153.09090	4.4
157.10159	1.8
159.11728	10.2
161.13289	14.0
163.11160	2.7
163.14827	10.0
165.12778	2.6
167.10728	2.3
169.10095	2.2
171.11673	1.7
173.13246	10.1
175.14821	5.0
177.12767	15.5
177.16417	5.1
181.12282	5.1
185.13298	1.8
187.14908	3.1
189.12778	2.8
189.16422	11.4
189.20667	1.6
191.14354	8.5
191.17967	78.0
192.18346	1.9
193.12245	2.4
195.13860	17.2
199.14923	1.8
201.16467	2.3
203.18001	15.9
205.19511	7.5
207.13828	12.8
209.15396	27.0
215.17979	1.6
217.19548	14.8
231.21040	2.7
243.21223	1.8
249.18674	2.2
257.22714	2.3
261.18631	2.1
263.20212	1.7
276.52417	1.6
303.23013	2.5
304.13791	1.7
315.23184	1.7
381.31583	2.9
399.27625	1.9
399.32584	48.1
400.32861	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	399.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07092	0.3
58.06595	1.9
63.33816	0.2
69.03419	0.6
69.73331	1.5
70.06592	2.0
71.08640	0.5
72.08156	6.4
72.08540	0.6
74.68090	0.3
76.07645	9.3
81.03407	0.4
84.04503	0.5
84.08134	0.9
85.02908	0.8
86.09717	0.5
89.10800	0.4
90.94889	0.3
91.05505	0.7
96.04500	0.3
97.02914	1.0
98.06071	0.6
98.20826	0.6
100.07568	0.3
101.06028	0.4
105.07040	0.5
107.04940	0.6
110.02402	2.3
110.07219	0.3
111.04458	0.4
116.89516	0.3
119.03566	1.1
119.04958	0.7
121.02823	0.3
123.04412	0.3
129.05496	0.4
130.22955	0.3
130.81581	0.3
136.06190	100.0
137.04568	0.9
137.06544	0.8
145.02940	0.3
147.04419	0.9
152.07106	2.5
162.04117	22.4
169.09760	1.3
176.87146	0.3
177.05464	0.9
193.08531	0.3
219.16034	0.3
237.10950	48.4
238.11172	0.7
250.09622	0.3
254.97858	0.4
381.17981	0.9
399.18985	1.2
399.23785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01855	0.9
55.05500	1.9
57.03440	6.3
61.02909	3.8
61.18795	0.8
62.66719	0.7
64.36822	0.9
67.05505	1.2
69.03439	11.3
69.07065	1.2
70.06596	9.1
70.28018	1.7
71.04991	1.4
72.08159	59.0
73.02907	2.9
74.34054	0.9
77.47153	0.8
78.41133	0.8
80.05016	0.8
81.03421	6.5
81.07029	1.1
84.08141	2.9
85.02912	24.4
86.09699	4.0
87.04467	2.3
88.04001	1.0
89.03941	1.1
89.10828	4.0
91.05482	5.5
95.04953	2.7
97.02287	1.1
97.02895	16.8
98.02412	1.8
99.04446	2.6
101.06020	0.9
102.04686	1.4
103.03956	3.0
103.05473	45.9
105.03394	0.9
105.07039	2.1
107.04271	0.8
107.04945	3.0
109.02869	5.3
110.02406	19.5
110.07173	2.0
115.03901	1.2
116.07120	1.7
117.05495	1.0
117.07012	1.5
119.04948	6.3
120.08073	0.9
124.03983	1.2
124.07625	1.1
127.03928	9.6
128.03366	1.1
129.05452	0.9
129.10207	1.0
130.04114	1.8
131.04935	100.0
132.05351	1.3
133.06557	0.9
136.06146	1.7
145.02827	2.4
145.04967	3.6
145.06453	1.0
147.04410	3.4
148.05208	9.4
152.07077	18.7
160.05208	1.4
161.05978	4.5
163.07553	49.3
169.09729	13.5
170.08095	3.8
175.07631	1.3
177.05515	4.8
187.07668	1.0
189.09103	1.5
201.09084	1.7
202.22049	1.0
212.08366	3.0
213.09082	2.4
237.07678	1.5
237.11182	2.0
250.09459	1.0
267.08969	2.0
279.27209	1.0
370.31259	0.9
381.18073	9.7
382.16562	1.8
399.19382	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	399.1916
Annotation	CHEBI:67517
Peak:m/z	Relative Intensity
55.05511	1.3
69.03444	0.5
69.67395	3.5
70.06602	1.8
72.08160	100.0
73.08509	0.6
82.02952	1.2
85.02907	1.2
86.09714	0.8
89.10796	6.5
91.05479	6.3
97.02905	1.1
98.02427	2.0
99.00823	2.6
103.05449	0.6
107.04964	1.8
110.02409	34.5
110.95821	0.6
119.04948	8.9
128.03447	1.0
131.04860	0.7
136.06305	0.5
145.06493	0.5
147.04398	4.9
152.07077	33.3
167.08571	0.8
169.09746	20.8
169.11154	1.1
169.13358	0.6
170.08142	8.3
177.06967	0.6
187.10793	0.7
195.08096	1.5
198.56320	0.6
212.08369	4.2
213.09085	3.5
218.11838	1.0
226.25584	0.5
235.14458	1.8
355.02457	0.6
364.15384	1.0
381.18115	17.5
382.16382	2.8
399.19193	20.4
400.20044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
57.03434	1.4
59.04987	2.5
61.04029	0.9
67.05506	1.5
69.03419	2.4
69.07062	1.7
69.28974	1.6
69.29381	5.5
70.06604	7.0
71.05009	1.3
72.08166	6.1
74.38419	0.9
79.05489	1.2
81.03419	1.9
81.07047	1.9
83.05013	1.0
83.06107	1.3
84.08157	1.8
85.02924	4.3
86.09699	3.1
86.10188	0.8
89.03926	8.4
91.05471	2.2
93.07037	1.7
95.06103	0.8
95.08619	1.1
96.04482	0.8
96.66747	0.8
97.02905	9.9
97.06506	0.8
98.21556	1.6
99.04473	0.7
103.03963	0.8
105.07014	1.1
106.84394	0.8
107.04938	0.8
107.08607	0.9
108.04421	0.8
109.02852	1.4
110.02393	1.2
110.07140	2.7
113.84820	0.7
116.07091	0.9
117.03384	20.7
119.04933	1.2
119.08586	1.5
120.08051	0.7
121.06526	1.1
121.10125	0.9
122.06059	1.2
123.08056	0.8
123.11684	1.5
124.03945	0.8
126.05505	1.2
127.03931	2.2
131.08582	0.9
133.10168	1.4
134.03659	0.9
135.04456	1.7
136.06160	1.0
136.08739	5.2
144.06467	1.4
145.02855	51.8
147.04420	1.2
149.06010	6.4
152.07098	1.6
163.04031	0.9
169.09901	1.0
177.05489	100.0
178.05841	1.3
182.09288	3.2
191.07182	0.8
197.58417	0.8
207.13803	0.9
250.09450	1.1
291.17297	0.8
292.65891	0.7
315.75583	0.8
336.19400	1.2
339.10699	4.2
354.20215	0.9
367.16977	0.8
399.15970	1.2
399.20868	1.0
400.20822	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	398.269
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03935	2.1
53.70281	0.9
55.01887	0.9
55.05511	6.8
58.87948	0.8
67.05515	9.3
68.05029	9.5
69.07068	6.6
70.06596	47.9
70.95805	2.4
71.04985	2.5
72.08157	1.4
79.05506	8.8
80.05000	2.3
81.07060	12.6
82.06587	1.0
83.08606	1.7
84.08139	1.3
89.99344	1.0
91.05486	26.3
93.07051	13.6
94.06562	4.5
95.04360	1.8
95.04973	34.3
95.08623	6.8
96.08115	4.5
97.02847	1.5
97.06524	1.0
98.06029	1.5
100.07613	11.5
103.05467	1.9
104.06216	1.1
105.07038	43.7
106.06545	1.2
107.07365	1.6
107.08596	8.0
108.08125	8.3
109.06493	2.1
109.10133	4.5
112.07620	2.2
113.29533	1.0
114.05542	15.4
115.05415	1.7
116.06312	1.4
116.07085	13.9
117.07037	16.7
118.06567	1.4
119.08588	76.3
120.08104	7.8
121.10161	12.0
122.09672	13.6
123.08070	1.2
123.10441	2.6
128.06203	3.3
128.07080	13.1
129.07019	8.5
130.07790	9.4
131.08582	19.3
133.10130	17.1
134.09668	2.4
135.11714	1.4
136.11234	8.6
137.09604	1.3
138.03127	1.6
139.03481	1.3
140.06987	1.6
140.10690	2.5
141.06979	1.9
142.07761	2.6
143.08589	13.4
144.09381	5.5
145.06377	1.0
145.10129	53.0
146.09590	1.4
147.04408	1.6
147.11674	11.9
148.11235	7.5
151.06279	3.4
152.07042	1.3
153.05463	13.7
154.05853	6.2
154.08650	5.0
155.08617	2.4
156.09262	1.5
157.10158	7.4
158.10826	2.1
159.08127	1.1
159.11693	3.4
160.11224	1.7
161.09607	2.6
161.13264	1.8
164.07127	1.9
166.08687	2.8
167.08543	1.4
168.10220	80.9
169.10210	4.3
171.11719	2.5
172.11157	1.3
173.13252	7.4
175.14854	2.5
178.08635	15.7
179.08517	1.2
180.10246	1.5
181.10115	2.7
182.10771	1.1
183.11737	5.1
185.09666	1.1
185.13246	3.9
186.12740	1.7
187.14844	2.1
188.14314	1.4
192.10217	3.7
194.11900	11.8
195.11778	2.2
197.13197	3.2
199.14854	2.1
200.14458	2.0
206.11778	1.6
208.13269	1.8
209.13206	6.3
211.14839	1.3
214.15894	3.7
216.17528	1.2
223.14561	1.0
225.16264	1.1
231.10196	1.8
232.10506	4.8
232.13278	1.3
234.14728	1.0
239.17978	2.5
244.13324	3.3
258.14896	8.7
259.15604	4.3
260.13669	2.4
260.16470	51.1
265.19464	2.8
267.21002	1.4
274.18002	1.1
287.18744	1.1
288.19598	5.2
380.25861	97.9
381.26233	3.4
398.26889	100.0
399.10638	3.8
399.27765	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	398.2692
Annotation	3,4-Dihydroxy-2-methy-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide
Peak:m/z	Relative Intensity
53.03925	0.8
55.05516	3.4
57.07074	1.3
62.40326	0.6
67.05502	3.6
68.05045	4.4
69.03438	0.9
69.07061	2.6
70.06598	21.9
71.04945	0.7
71.06910	0.7
71.20510	1.6
79.05493	5.4
80.05005	1.5
81.05803	0.7
81.07072	6.6
82.46167	0.7
86.40744	0.6
91.05489	9.8
93.07045	8.8
94.06554	1.8
95.04974	10.9
95.08611	4.3
96.08158	3.2
98.06033	0.9
98.10538	0.7
100.07633	6.6
103.05455	1.5
105.07034	20.8
107.08597	8.3
107.41766	0.7
108.08131	3.9
109.06528	1.3
109.10159	2.7
114.05531	7.2
115.05466	1.0
116.06319	1.2
116.07100	7.9
117.07012	7.9
119.08585	31.1
120.08118	5.1
121.10153	5.4
122.09650	5.5
123.10414	0.7
128.06223	2.1
128.07083	8.0
129.07007	2.8
130.07751	3.6
131.08585	10.2
132.08069	0.8
133.09013	1.1
133.10130	7.9
134.09657	2.3
135.07996	1.2
136.11224	2.6
140.07086	1.1
140.10704	1.2
141.07082	0.7
142.07755	0.9
142.08690	1.1
143.08549	5.9
144.09328	1.4
145.10135	21.1
145.11288	1.0
146.09665	1.5
147.08168	0.7
147.11713	5.2
148.11200	6.9
149.11998	0.7
149.55244	0.8
151.06291	2.3
153.05515	0.8
154.08611	1.6
155.08556	2.3
156.09337	1.3
157.10110	5.9
158.10834	0.9
159.11708	2.9
160.11223	1.8
160.39694	0.6
161.09692	1.3
162.12868	0.8
166.08594	2.0
167.08530	1.1
168.10233	35.5
169.10207	2.9
171.11688	2.7
173.13274	5.3
174.12798	0.8
175.14825	2.7
178.08630	9.4
181.10118	2.0
183.11739	4.0
185.13295	2.1
186.12831	1.2
187.14877	1.2
192.10201	2.0
194.11845	10.6
195.11769	1.7
197.13315	2.0
199.14813	2.2
206.11763	1.3
209.13167	3.1
214.15964	2.0
220.13324	0.7
223.14816	1.4
225.16519	0.8
230.11864	0.8
232.13402	1.3
234.14766	1.2
235.14929	0.9
237.16507	0.9
239.17790	1.2
244.13358	1.9
248.34239	0.7
258.14960	2.5
259.15674	1.5
260.16476	18.5
261.17130	0.8
265.19565	1.4
288.19528	2.1
306.20642	3.5
380.25882	33.5
381.26093	1.1
398.26917	100.0
399.10806	1.2
399.27182	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	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	7.1
57.03431	21.2
61.02928	11.5
67.05498	5.4
69.03432	49.3
69.07071	30.3
69.70998	3.6
70.06601	9.8
71.06849	7.6
72.08157	10.0
73.02921	64.0
74.06034	4.7
84.08222	4.4
85.02910	100.0
85.03382	3.7
86.09693	6.8
87.04469	13.1
91.03923	5.6
96.08129	4.7
97.02896	64.2
99.04496	8.7
109.02888	12.7
111.08083	8.1
115.03931	42.6
124.07602	25.2
127.03920	31.7
133.04980	59.3
133.22778	3.8
145.04968	45.9
149.95734	4.0
152.07121	9.5
154.08611	5.4
163.06059	28.0
223.05971	4.6
241.07076	10.0
259.08099	17.4
259.14365	8.3
277.15546	7.3
295.10382	5.0
308.12009	4.2
328.54749	5.0
343.60815	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	398.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97342	0.5
54.85351	0.4
55.01845	1.6
55.05474	0.5
55.42429	0.4
56.05002	0.5
57.03443	3.0
61.02892	1.0
67.05473	0.8
69.03423	2.4
69.07037	0.7
70.06602	4.3
71.01315	0.8
71.04965	1.0
71.54455	0.6
72.08166	5.3
73.02885	1.7
80.04990	0.6
81.03377	1.5
83.06102	0.8
84.04488	0.9
84.08115	1.6
85.02905	5.1
86.09667	1.7
87.04433	0.7
91.05459	0.9
93.07010	0.7
96.06847	0.9
96.08108	0.6
97.02911	2.7
97.07629	0.9
103.05444	1.7
106.06544	0.5
109.02841	1.0
109.07623	0.8
110.02388	1.3
110.06004	0.5
110.07134	2.1
111.04424	0.7
113.02361	3.9
115.03865	0.9
116.07060	0.6
119.03532	1.0
119.04937	1.2
119.08504	0.6
120.08082	0.5
121.02829	0.7
122.05977	0.6
124.07573	1.4
127.03904	1.4
128.07072	0.6
130.08617	0.6
131.04909	2.3
132.04466	2.6
133.04857	0.5
135.06665	2.3
136.06194	14.5
136.07425	0.8
136.07610	0.7
137.04568	1.1
138.09053	0.8
146.04628	0.5
147.04398	2.0
150.07722	0.5
151.06209	0.5
152.07024	0.8
156.73624	0.5
160.06210	1.2
161.04562	1.3
162.07756	35.2
163.07529	0.9
164.07086	0.5
174.04271	0.5
177.05392	0.5
178.07231	2.0
188.05679	33.8
206.06735	21.2
206.08698	0.8
216.05128	0.8
220.08325	6.7
236.09145	0.7
236.12849	0.8
248.07870	3.8
259.14371	1.0
266.08850	100.0
267.08997	1.4
276.57123	0.4
277.15628	1.1
354.23828	0.5
398.13092	24.8
398.22501	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	397.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01873	4.6
55.05514	18.0
57.03442	6.4
59.05001	1.3
61.02930	11.5
67.05516	5.8
69.03432	30.9
69.07067	4.7
70.06598	4.5
71.04987	3.4
71.55034	1.4
72.08150	6.7
73.02921	4.2
79.05495	7.5
81.03424	14.9
81.07067	12.3
83.01330	1.6
83.04987	4.7
83.08623	1.4
84.08170	2.1
84.68040	1.1
85.02908	62.0
85.06570	6.2
86.09718	2.4
87.04458	6.1
91.03962	4.9
91.05479	9.5
93.07062	8.4
95.04941	6.9
95.08625	7.2
97.02892	29.2
97.06522	5.0
99.04435	5.5
103.05441	2.5
105.07037	14.0
107.04968	3.4
107.08606	7.4
109.02898	8.4
109.06519	4.3
109.10157	4.5
115.03947	1.2
115.05479	1.7
117.07021	3.7
119.04980	2.7
119.08564	13.2
120.08114	2.1
121.06509	4.5
121.10169	9.7
122.03658	1.8
123.08066	4.1
123.11713	1.7
125.06006	4.5
127.03933	16.4
128.06277	1.7
129.07024	4.4
131.04967	1.7
131.08559	6.0
133.06509	3.2
133.10147	15.2
134.14476	1.3
135.08072	5.6
135.11720	2.4
137.05989	21.0
137.09613	3.4
141.07089	1.4
142.07776	2.7
143.08572	3.6
144.09476	1.3
145.04955	12.6
145.06113	1.3
145.06522	1.7
145.10117	5.9
147.04419	4.1
147.08044	8.6
147.11676	6.2
149.05992	2.1
149.09642	15.8
151.07561	3.5
151.11214	1.3
153.05478	2.6
155.08557	1.8
156.09462	1.6
157.06526	2.1
157.10133	5.9
158.07378	1.1
159.08043	2.3
159.11693	6.3
161.05972	4.9
161.09636	22.6
161.13333	1.6
162.10413	11.0
163.11177	5.9
165.09128	1.3
169.06387	1.2
171.08105	2.0
171.11739	3.0
173.09674	1.4
173.13261	4.1
175.11192	5.5
175.14832	4.5
179.10680	25.7
182.07227	1.5
184.12550	1.5
185.09624	1.8
187.07642	1.8
187.11227	2.4
187.14972	1.4
189.09039	1.2
189.12682	1.3
189.16473	2.9
191.07018	1.3
195.08026	1.1
198.06819	3.7
199.07552	2.4
199.14833	4.2
202.13483	1.4
211.07620	1.8
213.09132	5.2
215.10718	2.2
217.15889	100.0
218.07405	1.3
218.16350	2.7
225.09158	3.9
235.16936	22.5
243.10185	4.0
247.07610	1.7
273.11255	10.9
277.08856	1.4
291.09933	1.7
307.09647	2.3
317.11646	1.5
332.74927	1.3
335.20624	1.5
349.14267	1.9
351.12555	1.4
354.14706	2.1
379.15442	3.1
379.21222	2.3
397.16550	15.3
397.22253	40.1
398.17291	1.2
398.22610	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	397.2224
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03941	5.3
55.01871	3.4
55.05511	18.1
57.03431	6.8
59.05003	2.1
61.02932	11.3
63.48460	1.4
67.05498	5.8
69.03433	29.0
69.07067	2.3
69.32069	11.1
69.32472	2.2
70.06590	5.3
71.04992	4.7
72.08138	5.2
73.02906	5.8
79.05498	10.4
81.03411	15.6
81.07047	13.5
83.04984	5.4
84.08144	2.4
85.02910	69.5
85.03431	3.3
85.06550	4.4
86.09719	2.4
87.04469	6.2
91.03968	3.2
91.05486	13.5
93.07055	13.1
95.04964	6.7
95.08606	6.6
97.02898	29.2
97.06525	8.4
98.21541	2.3
99.04446	6.7
103.05480	2.3
105.07044	16.4
107.04953	2.3
107.08602	12.3
107.85606	1.4
109.02901	8.9
109.06512	4.4
109.10157	4.7
115.05473	2.5
117.07028	2.8
119.05041	3.3
119.08587	10.8
121.06539	3.4
121.10143	20.8
122.03580	2.0
123.04416	1.6
123.08086	4.8
125.05982	7.1
127.03926	20.1
128.06155	2.5
129.07018	3.2
131.04933	2.5
131.08528	8.1
133.10112	18.4
135.08076	4.8
135.11711	2.4
137.05983	32.4
137.09570	3.4
141.07002	1.6
142.07742	3.6
143.08582	4.7
145.04974	12.6
145.10132	5.7
146.07260	2.6
147.04439	4.1
147.08081	9.6
147.11725	3.6
149.05931	1.7
149.09622	18.8
151.07538	4.8
153.05450	1.9
155.08566	4.4
157.10156	7.1
158.07352	1.5
159.08044	2.5
159.11731	5.7
161.06046	7.5
161.09642	19.7
161.13219	1.8
162.10446	8.5
163.11177	5.6
168.05678	1.7
171.08044	1.5
171.11809	2.3
172.08778	2.2
173.09671	2.0
173.13272	3.1
175.07506	1.7
175.11192	4.9
175.14809	3.2
179.10658	22.2
183.08128	1.5
184.12523	2.2
185.06036	2.7
185.09624	4.0
187.07547	2.2
187.11224	2.1
189.12758	2.8
189.16283	2.2
191.07060	3.8
197.05949	2.4
197.09618	4.4
198.06776	6.3
199.07520	3.6
199.14873	4.3
200.08339	1.8
203.10495	1.7
211.07541	2.1
213.09146	8.5
215.10680	2.4
217.08652	2.4
217.15889	100.0
219.17471	2.1
225.09102	6.2
235.16911	17.0
243.10146	8.5
255.10118	3.5
261.09006	2.6
273.11237	27.1
277.08542	3.1
278.12448	2.0
289.08368	3.2
291.10193	2.3
292.07144	1.6
293.08273	1.8
305.11484	1.8
307.09720	2.9
308.10464	4.5
321.11148	3.0
335.12512	2.8
339.65259	1.6
351.12268	5.2
354.14587	4.8
379.15576	5.4
397.16473	33.6
397.22198	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	397.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
53.35288	0.3
54.57890	0.4
55.01862	1.0
55.05500	1.2
57.03440	0.7
65.03943	1.2
67.05486	1.6
67.19872	0.4
69.03428	0.6
69.07042	1.1
69.91353	0.7
69.91765	1.5
70.06580	1.0
72.08144	0.9
79.05488	2.9
81.03420	1.2
81.07049	1.7
82.04211	0.9
83.01345	0.7
83.04956	0.6
84.08143	0.7
85.02911	4.1
85.06522	0.5
91.05479	5.1
92.72137	0.4
93.03385	1.0
93.07039	2.0
95.04971	1.0
95.08594	1.3
97.02905	0.9
97.06541	0.7
98.20831	0.6
103.05455	0.5
105.07036	3.2
107.04957	1.0
107.08593	1.7
109.10183	0.9
110.03657	1.5
115.05471	1.0
117.07028	2.3
119.04948	4.3
119.08566	3.0
121.06512	0.6
121.10141	0.8
123.08089	0.4
123.11712	0.5
125.05987	1.9
128.06223	1.5
129.07008	2.7
131.04932	0.4
131.08569	1.8
133.06490	1.4
133.10133	1.2
137.06007	1.1
138.03120	12.2
141.07011	1.0
142.07784	6.2
143.08563	7.9
145.06479	1.7
145.10126	1.1
147.04424	6.3
147.08037	1.0
147.11671	0.7
149.09634	0.6
151.20157	0.4
152.06184	0.6
153.05472	100.0
154.05800	1.3
157.06511	0.6
157.10144	4.9
159.08044	4.1
159.11691	0.8
161.05977	1.5
161.09581	0.7
165.06958	0.5
166.07816	0.5
167.07071	0.9
167.08597	2.0
169.06430	0.8
170.07234	0.9
171.08052	2.2
175.07536	0.7
175.11221	1.3
179.07040	3.1
185.09605	2.8
187.07542	1.3
187.11220	0.4
187.14841	0.5
188.08353	0.9
189.05495	1.4
189.07634	0.4
189.09079	2.6
189.12837	0.4
195.06490	1.4
195.08109	1.3
196.69199	0.4
197.05934	0.4
198.06682	1.1
199.14806	0.5
203.10680	2.3
205.08612	0.9
211.11061	0.4
213.09100	5.7
215.10699	0.9
229.12253	0.4
231.10165	41.0
232.10489	1.0
239.10568	0.6
239.93613	0.4
245.11809	1.3
257.11798	0.7
379.15518	0.9
397.16556	10.8
397.27356	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.3
55.91513	1.8
57.07082	48.2
59.05003	14.8
67.05505	2.9
68.08210	1.9
69.07053	2.6
69.64486	12.0
69.64794	3.0
71.08636	100.0
72.08157	3.2
79.05488	2.1
81.07064	4.1
85.10186	60.1
89.05487	2.5
89.06038	50.4
91.05471	2.1
99.69188	1.8
103.07595	4.5
116.57916	2.2
119.08599	4.0
127.14810	9.2
133.08630	24.0
177.11227	19.3
185.19009	10.9
191.30901	2.0
195.12320	18.2
239.14981	9.7
284.92175	2.2
295.14740	1.9
379.30530	9.0
399.20740	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	397.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
54.52671	0.4
55.01872	0.7
55.05498	0.9
57.03438	0.9
60.03544	0.4
65.03947	0.6
67.05510	1.1
69.03413	0.6
69.07059	1.0
70.06595	0.5
71.36330	0.7
72.08133	0.7
74.27695	0.5
76.67097	0.4
79.05502	2.9
81.03408	0.5
81.07051	1.6
82.04221	0.6
83.39444	0.4
85.02914	3.0
91.05492	5.1
93.03429	0.9
93.07051	1.2
95.04962	1.7
95.08611	0.8
97.02885	0.7
97.06528	1.0
105.07030	3.2
107.04951	0.9
107.08578	1.0
109.06554	0.5
109.10155	0.9
110.03654	1.8
111.04434	0.5
115.05442	1.2
117.07027	1.9
119.04948	4.8
119.08583	3.2
121.06493	0.5
122.05251	0.4
125.06029	1.4
128.06230	1.8
129.07013	2.4
131.08588	2.2
133.06483	1.0
133.10117	0.6
137.06003	1.1
138.02122	0.9
138.03131	11.2
141.07039	1.2
142.07797	5.5
143.08562	8.1
144.05814	0.4
145.06506	1.8
145.07730	0.4
147.04410	6.5
147.08125	0.9
147.11691	0.9
149.09654	0.6
151.07648	0.4
152.06194	0.7
153.05473	100.0
154.05815	1.0
155.80338	0.4
157.06506	0.8
157.10132	5.0
159.08072	3.8
161.05997	1.6
162.52620	0.5
163.11171	0.5
167.07152	0.6
167.08614	1.3
169.06450	0.7
170.07254	0.9
171.08047	2.6
173.05946	0.7
175.11212	0.9
177.05406	0.4
179.07008	2.6
185.06003	0.7
185.09625	3.3
187.07565	1.1
187.54865	0.5
189.09148	1.9
195.06538	1.0
195.08089	1.8
198.06787	1.1
203.10667	1.8
213.09140	5.7
215.10732	0.8
231.10172	42.8
232.10577	0.5
245.11760	1.0
257.11832	1.0
371.76645	0.5
379.15570	0.7
397.16626	9.8
397.27512	1.0
398.17316	0.6
424.43076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01875	0.7
55.05505	0.9
57.03426	1.1
59.04988	0.3
60.05784	0.3
65.03938	1.2
67.05499	1.2
69.03429	0.6
69.07055	0.9
70.06587	0.9
71.04977	0.3
71.55328	0.5
72.08155	0.9
73.17925	0.4
79.05505	2.5
81.03427	0.9
81.07056	1.9
82.04174	0.5
83.04982	0.8
83.08599	0.4
85.02921	3.2
85.06557	0.3
91.05492	4.4
91.33621	0.3
93.03418	0.9
93.07034	1.8
95.04973	1.7
95.08605	0.9
97.02904	0.6
97.06518	0.6
100.83232	0.3
103.05484	0.7
105.07030	3.3
107.04965	1.3
107.08595	1.4
109.02892	0.4
109.06544	0.9
109.10168	0.7
110.03672	1.4
115.05460	1.2
117.07031	2.2
117.07706	0.4
119.04943	4.8
119.08589	2.6
121.06556	0.5
121.10172	1.0
123.04448	0.5
125.06007	1.9
128.06216	1.9
129.07010	2.0
131.08571	1.9
133.06503	1.3
133.10133	1.1
135.08055	0.4
135.11703	0.7
137.06033	0.8
138.03136	11.6
141.07005	1.0
142.07793	5.6
143.08566	6.2
145.06464	1.6
145.10109	0.9
146.07172	0.5
147.04422	5.8
147.08060	0.7
147.11668	1.0
151.07516	0.5
152.06204	0.7
153.05476	100.0
154.05824	1.5
155.08601	0.7
157.06483	0.6
157.10146	4.8
159.08078	3.6
159.11720	0.5
160.08801	0.4
161.04820	0.3
161.05936	1.7
161.09634	1.0
161.13229	0.4
163.03853	0.4
165.05450	0.4
165.06993	0.5
166.07722	0.4
167.07069	1.1
167.08592	1.9
168.88686	0.3
169.06528	0.6
169.10098	0.3
170.07257	0.7
171.08044	1.8
173.06020	0.4
173.09625	0.5
175.07504	0.5
175.11212	1.3
177.05467	0.5
177.09245	0.5
179.07065	4.1
179.08546	0.6
185.09628	3.8
187.07516	1.6
188.08340	0.7
189.05489	1.4
189.09120	2.5
195.06531	1.3
195.08092	1.4
197.06096	0.5
198.06763	0.7
203.10658	2.5
205.08678	1.1
212.18704	0.3
213.09128	4.9
215.10706	1.1
216.07819	0.5
226.13928	0.4
231.10184	39.0
232.10487	0.8
239.10585	0.5
245.11784	1.0
257.11771	1.1
276.89752	0.3
350.35522	0.4
379.15433	0.6
397.16595	9.0
397.22607	0.6
397.27512	0.9
398.16708	0.4
415.17398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56246	0.6
55.01868	0.7
57.01128	0.6
59.16038	0.6
60.08154	1.8
62.65884	0.7
69.03429	1.0
70.06587	1.6
71.03925	0.9
71.04239	0.7
71.04978	1.1
72.08147	2.5
82.63445	0.6
83.35986	0.5
84.08145	1.0
85.02903	1.4
89.21255	0.6
97.02906	4.4
99.04446	0.9
99.49500	0.7
102.55290	0.6
106.50700	0.5
118.06535	1.1
120.08128	2.3
123.05573	3.9
130.06505	1.2
135.04381	0.8
136.35091	0.6
144.07996	0.6
147.04399	1.2
163.03923	1.3
170.06012	1.3
172.07611	0.6
182.05981	1.0
184.07532	0.7
185.06068	0.6
186.05426	0.7
187.08655	0.7
187.12421	0.7
199.08656	1.8
200.07097	1.1
200.09413	3.2
201.10204	1.1
211.08670	3.2
212.09526	1.6
213.10280	5.4
214.10992	1.2
215.08270	0.6
215.11855	10.8
215.14050	0.9
217.09695	1.9
221.02946	1.1
223.12344	1.1
225.10216	6.4
226.11069	1.1
227.08257	1.3
229.09738	2.0
231.11258	1.9
239.08194	4.0
239.11780	3.2
240.08940	2.3
241.09801	3.9
241.13426	4.3
242.10532	5.3
243.07645	1.0
243.11320	7.3
245.09273	1.1
246.07587	2.0
251.11765	1.0
253.09752	7.1
254.10541	0.9
256.12070	1.0
257.09183	5.7
257.12973	1.4
259.10751	4.8
263.10272	3.3
267.11270	2.7
268.08304	1.6
269.03613	1.0
269.12878	5.5
271.10806	30.0
272.11411	1.5
275.10437	4.1
285.08932	1.2
285.12347	6.2
286.06219	1.2
286.09277	1.0
287.13947	3.4
295.10867	2.2
297.12323	8.1
303.09827	1.4
303.13507	1.7
304.10812	0.6
313.11859	8.2
314.12500	0.8
315.13416	6.3
318.09644	1.4
321.10934	3.1
323.10184	3.2
331.13004	3.6
332.06882	1.8
333.14450	1.8
336.10773	2.9
341.11362	7.8
349.13919	2.7
359.12442	13.5
377.13422	22.3
378.13763	0.7
395.14496	100.0
396.15036	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	394.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
58.06575	0.7
67.05520	1.8
70.06597	100.0
71.05000	9.1
79.05494	1.7
79.71128	0.5
81.07067	1.5
88.07100	0.6
88.07636	11.2
88.08156	0.8
91.05495	1.1
93.07033	2.2
94.93285	0.4
95.04984	0.8
95.08612	1.2
105.07027	1.3
107.08595	1.4
109.10154	1.2
116.07101	85.3
119.08590	1.5
121.10153	1.1
131.08540	0.8
133.10153	0.7
134.08133	14.1
145.10095	0.7
157.10089	0.5
170.69958	0.5
261.22198	0.6
394.29224	1.3
394.34473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97763	3.8
58.36980	4.2
62.26968	3.5
70.93429	8.4
87.25590	3.6
94.28238	4.5
125.34649	3.8
147.01891	4.0
178.24341	3.8
181.75240	4.1
200.81522	4.1
241.60191	3.7
395.09473	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1317
Annotation	Jasmolactone B
Peak:m/z	Relative Intensity
60.08169	1.4
60.67065	0.9
64.00314	0.9
69.03417	2.2
69.45862	0.9
70.06589	3.7
71.00493	2.0
71.00845	1.6
72.08151	3.2
73.17334	1.1
73.62077	1.0
74.06107	5.0
75.41834	0.8
84.04514	1.0
84.08125	1.6
85.02890	3.1
86.09736	1.0
91.05467	1.0
97.02891	2.3
116.07103	2.8
117.07417	1.2
118.06553	1.3
120.08098	3.6
122.06053	1.0
122.65045	1.0
127.03922	1.5
130.05016	1.2
130.06551	3.7
146.15492	1.0
147.04433	1.8
154.06528	1.6
158.06007	2.0
163.03862	1.4
170.06001	2.3
172.07599	1.0
182.06042	2.0
200.07101	4.1
233.15050	2.0
246.07663	1.6
318.09723	2.3
336.10800	5.6
340.31686	1.0
378.10901	1.0
395.13174	100.0
396.13199	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	394.259
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
53.03953	5.8
55.05506	1.2
57.03440	10.4
61.65286	1.0
63.69767	0.8
67.05499	2.9
67.05843	0.8
68.05014	3.6
69.03439	11.2
70.06595	10.8
71.03727	1.9
71.04992	10.2
72.04541	1.0
72.08158	2.0
79.05499	1.9
80.05002	1.2
81.03410	2.6
81.07056	4.3
82.06590	5.3
83.04968	1.3
86.06072	36.0
91.05479	1.7
93.07037	3.1
95.08618	1.7
95.18262	1.0
96.08138	58.6
98.06059	4.3
98.09705	1.6
99.06832	2.3
100.07623	11.5
105.07056	1.0
107.04976	1.7
107.08620	1.2
109.06487	1.2
110.06050	7.6
110.09676	2.3
112.07520	1.1
123.08047	1.8
136.07576	3.7
138.09132	3.6
148.99011	1.0
149.13339	1.1
150.36023	0.9
156.10211	100.0
157.10521	2.2
196.59856	0.9
229.46982	1.2
270.17105	1.6
318.20697	2.1
319.21594	1.1
348.21704	14.6
376.24957	1.6
394.25897	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2589
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
53.03954	5.5
55.01854	0.9
55.05511	1.8
57.03441	9.0
58.06596	1.5
65.93756	0.9
67.05511	4.1
68.05032	2.6
68.42085	1.0
69.03434	9.5
69.07080	1.0
70.06595	10.2
71.03729	1.9
71.04992	17.1
71.20810	1.1
72.08144	3.1
79.05492	3.4
80.05004	1.4
81.03424	6.5
81.07059	4.4
82.06585	4.5
83.04990	0.9
83.07369	1.5
85.06535	1.2
86.06071	33.7
91.05482	1.5
93.07043	3.6
94.06509	1.2
95.04941	2.3
95.08621	2.7
96.08134	51.7
98.06055	4.7
98.09695	1.5
99.06857	2.9
100.07631	9.6
105.07024	1.6
107.04964	2.0
107.08584	0.8
109.06509	1.6
109.10203	0.9
110.06046	10.0
110.09672	3.7
119.08577	1.4
120.08105	1.3
121.06535	0.9
123.08099	1.9
124.07584	1.2
129.06967	1.0
131.08577	1.0
134.09605	1.1
135.11723	1.4
136.07581	3.5
138.09161	3.2
143.08591	1.1
145.06465	1.4
149.13237	1.2
156.10210	100.0
157.10617	1.4
159.11729	2.0
160.43309	0.8
187.11208	1.8
198.14250	0.9
223.13310	1.5
318.20703	2.8
320.22128	2.6
348.21707	24.7
349.22061	1.1
376.24734	1.4
394.25903	55.7
395.26297	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	394.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.01848	1.0
55.05510	4.3
57.03440	2.2
60.04517	1.1
67.05502	6.9
69.03433	4.0
69.07066	6.2
69.94955	2.7
70.06584	6.0
72.08151	2.4
72.93797	0.8
76.69666	0.9
79.05491	5.3
79.21547	0.9
81.03408	3.8
81.07058	11.8
83.05003	1.9
83.08627	2.8
85.02912	7.7
85.06541	1.7
87.00813	1.4
88.03975	2.8
91.05481	3.5
93.04502	1.0
93.07049	6.2
95.04990	1.1
95.08606	13.0
97.02926	2.7
97.06546	9.6
98.09688	1.2
99.08075	1.3
102.05560	5.1
105.01871	1.3
105.07032	6.9
107.08607	4.9
109.02868	2.0
109.06545	1.3
109.10175	1.4
111.08064	1.4
118.43562	1.2
119.03603	1.0
119.08580	7.7
120.05616	1.2
120.08099	1.0
121.06528	1.0
121.10159	4.3
123.04433	1.7
123.08057	2.1
127.03918	4.1
131.08595	1.7
133.10092	5.4
135.06688	1.5
135.08063	1.1
135.11755	4.8
136.06194	46.4
137.09621	1.1
137.13255	3.5
139.59189	0.9
141.09154	0.9
145.05078	4.4
145.10149	2.1
147.11676	1.0
148.06032	4.6
150.07788	1.7
153.05481	1.1
159.11743	1.1
161.13269	16.8
162.07755	100.0
163.08032	1.5
163.11227	1.7
173.09532	1.1
179.14328	20.4
190.07220	1.4
197.15379	8.6
215.16440	1.2
236.07774	1.2
244.22826	2.0
376.19885	1.4
394.20834	12.8
394.25800	2.7
394.31644	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	394.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52834	6.1
54.25840	6.5
56.96562	7.3
68.05029	6.0
69.03410	21.7
69.07064	6.4
70.06597	40.7
70.71632	13.4
72.08147	22.8
74.06101	6.5
79.05483	8.3
81.03430	7.3
84.04502	22.5
84.08151	46.3
85.02910	32.5
86.06058	8.1
86.09691	9.1
90.74950	6.3
91.05470	26.2
97.02874	24.4
98.97583	11.3
107.04941	17.5
110.07156	6.5
116.07069	18.1
116.98554	6.3
119.04959	59.4
120.08121	11.6
121.06479	8.9
123.04437	7.1
127.03917	10.4
132.83037	6.6
135.04420	21.2
137.05984	57.9
147.04422	100.0
149.05975	8.6
151.07533	11.0
167.07088	33.2
179.07062	95.4
197.08057	12.2
244.10431	9.5
256.38474	6.5
311.11145	9.1
325.86368	6.2
346.25018	6.1
349.72238	6.5
351.97452	5.8
394.16568	7.6
394.21118	11.4
394.34198	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	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.3
55.05519	1.9
56.05074	2.0
58.55471	1.8
67.05495	2.0
68.52927	1.5
69.03428	3.4
70.06593	10.4
70.33172	6.6
71.04981	2.0
72.08150	13.2
80.25359	1.6
81.03423	2.3
81.07063	15.4
84.04498	3.4
84.08144	3.8
85.02894	4.9
86.09706	8.1
87.00809	2.2
95.04958	2.0
97.02894	2.1
99.04464	2.4
105.07023	2.1
109.06522	8.3
109.10139	2.4
109.34864	1.8
112.46195	1.8
119.04936	1.7
120.08100	10.0
125.05990	6.3
127.03929	4.8
127.07507	2.0
133.10101	3.1
137.05989	100.0
137.09590	2.7
140.55899	1.7
142.14758	1.7
147.04446	3.5
161.09659	3.0
166.08603	2.9
179.10670	45.1
183.11374	1.9
197.11739	66.6
201.12338	2.1
214.15898	1.9
394.21713	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	394.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13330	0.6
55.01862	0.8
55.05482	1.9
67.05500	2.6
69.03413	0.8
69.07047	1.7
69.64787	3.4
70.06606	4.4
71.04969	1.1
71.06891	0.6
72.08144	1.7
79.05495	3.7
80.04959	0.5
81.03419	4.4
81.07059	4.1
83.04987	1.1
84.08128	0.6
85.02894	1.1
88.03967	1.5
91.05462	1.9
93.04555	0.9
93.07050	3.2
95.04983	0.8
95.08588	2.0
97.02886	1.0
97.06544	2.8
100.34277	0.5
102.05524	1.9
105.07024	1.8
107.04940	0.9
107.08596	2.0
109.06488	0.8
109.10151	0.7
111.05569	0.6
117.07011	0.6
119.03561	1.9
119.08576	1.8
120.05550	1.4
120.08103	0.5
121.06538	0.9
121.10126	1.0
123.04422	2.0
125.09581	0.7
127.03883	0.9
131.08572	1.8
133.10086	0.9
134.09569	0.9
135.04463	0.9
135.06636	1.3
136.06192	85.0
137.04576	2.5
137.05954	0.9
140.10710	3.4
145.05128	3.0
145.10135	1.6
146.09607	0.8
147.04471	0.7
147.08054	0.6
147.15213	0.6
148.06033	2.8
156.23677	0.6
156.63806	0.6
162.07759	100.0
163.04016	0.8
163.08138	0.7
163.11220	2.0
173.09676	1.5
178.12244	1.5
190.07259	3.5
191.10756	0.7
209.11772	0.6
220.08376	1.4
236.07867	1.0
285.07614	0.6
294.38477	0.6
298.47354	0.6
344.17444	2.1
350.21469	0.6
376.19754	3.1
394.20953	26.2
394.26169	5.4
395.11411	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90926	0.8
53.03947	6.0
55.01876	12.3
55.05512	2.8
57.03445	5.4
57.07080	22.0
67.05489	1.5
69.07075	5.3
70.61939	1.1
70.62264	1.6
71.08640	19.3
81.03423	15.0
81.07058	1.3
83.08628	3.3
83.13506	0.8
85.10191	9.6
85.78365	0.8
88.99677	0.8
95.04947	1.1
95.08574	2.0
97.02887	0.8
97.10165	1.5
99.04455	1.7
99.11714	1.2
109.02888	36.5
109.10184	0.9
111.11762	0.9
113.13309	1.5
115.03944	9.5
123.04444	2.4
127.03926	100.0
128.04280	1.0
141.05481	4.9
155.07054	2.0
169.08620	4.4
183.10176	8.9
197.11722	7.1
211.13391	4.3
225.14879	5.6
239.16418	6.6
253.17986	9.4
267.19629	9.3
281.21115	7.5
295.22638	6.0
309.24231	5.9
323.25864	4.7
337.27423	4.9
393.33649	19.5
393.38910	0.8
394.33868	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.9
53.03947	6.0
55.05520	19.6
57.07076	13.5
59.04998	2.8
60.17456	2.5
65.03939	3.6
67.05219	3.2
67.05511	32.6
69.03429	5.7
69.07073	18.8
69.99674	12.7
71.08637	6.5
77.99399	2.7
79.05496	35.8
81.07056	54.1
83.04965	3.8
83.08618	10.2
85.06532	5.5
89.45837	2.4
91.04910	2.9
91.05486	57.9
93.06476	5.1
93.07048	79.2
94.07363	2.9
95.04977	56.5
95.08609	51.5
95.09168	4.3
97.06553	7.1
98.98476	8.9
103.05480	4.6
105.07038	100.0
107.04988	3.9
107.08605	44.0
109.06525	18.0
109.10175	25.1
115.05471	7.6
117.07027	20.8
119.04951	3.7
119.08592	97.4
120.08965	3.0
121.06503	17.5
121.10157	37.4
123.08052	8.3
123.11704	11.9
125.09692	4.7
128.06245	9.0
129.07028	18.0
130.07745	6.0
131.08588	38.8
133.06491	5.4
133.10135	46.8
134.10597	3.4
135.08044	5.3
135.11691	19.3
137.09630	4.3
138.74387	2.7
141.06987	6.7
142.07784	29.4
143.08572	34.8
144.09258	8.9
145.06548	3.6
145.10138	63.8
146.10579	7.4
147.08131	6.8
147.11708	21.7
149.09599	4.0
155.01044	12.8
155.08600	16.2
156.09378	11.3
157.10156	46.4
158.10861	6.2
159.08067	6.5
159.11723	39.0
161.09631	10.8
161.13263	7.8
163.11214	5.8
165.07021	3.8
167.08655	7.3
168.09343	3.5
169.02603	3.0
169.10115	19.7
170.10822	5.0
171.07968	4.4
171.11716	25.5
172.12526	3.7
173.09612	3.7
173.13278	20.5
175.11211	8.1
175.14836	13.7
181.10185	9.0
182.10907	5.3
183.11703	16.3
184.12477	3.8
185.09692	2.9
185.13321	9.8
187.11255	6.4
187.14809	10.4
193.10175	8.6
194.10890	6.6
195.11713	11.7
197.13268	13.3
199.14839	8.4
201.16403	7.7
205.10164	3.1
206.10910	4.7
207.11699	4.7
209.13255	14.6
210.13994	4.5
211.14821	11.0
213.16411	4.0
215.14215	3.2
221.13243	6.2
223.14787	6.7
225.16441	5.1
235.14815	9.0
239.14130	4.1
239.18182	3.4
253.16013	6.6
253.19325	5.1
255.17114	3.4
256.26410	3.0
301.36124	3.1
375.26602	4.5
393.27527	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	393.2484
Annotation	Turpinionoside C
Peak:m/z	Relative Intensity
50.51505	5.6
51.48845	5.3
52.68767	5.9
55.05523	9.2
69.07069	12.4
69.44966	40.8
70.06605	20.5
79.05491	11.4
81.07066	25.3
83.08609	6.3
85.02875	7.5
93.07074	28.1
95.08624	46.3
107.08629	33.4
109.10164	21.2
121.10179	36.7
123.11764	10.2
135.11699	15.9
149.13254	6.3
164.37636	5.9
165.16412	6.6
168.83742	5.7
177.16400	100.0
183.17525	7.7
195.17473	42.4
196.17586	5.6
213.18556	19.9
231.19662	32.5
311.15952	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	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96498	0.6
55.05500	1.1
57.07088	5.5
57.71505	0.6
58.07410	1.0
58.82392	0.6
66.10950	0.6
67.05495	1.6
69.07063	0.7
70.07452	2.9
71.07915	0.8
72.08151	1.7
81.07050	2.1
83.08598	0.8
91.05489	1.4
92.55355	0.7
93.07031	0.9
95.05010	0.8
95.08620	1.5
105.07041	1.6
107.08605	1.0
109.10214	1.0
112.98760	0.7
119.08624	1.6
121.10152	0.7
131.08598	1.2
133.10176	0.9
145.10141	0.8
154.75694	0.7
159.11702	0.8
163.28563	0.7
189.80267	0.6
195.12138	0.6
195.43217	0.6
224.13969	0.9
224.26924	0.7
301.21652	0.8
308.19809	0.9
309.19989	3.9
375.24701	4.1
393.26138	100.0
394.26315	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11749	1.2
53.03949	2.0
55.05507	5.5
67.05512	25.5
69.07056	5.9
70.02961	16.2
70.35715	4.6
71.14554	1.4
74.02444	26.5
79.05500	16.4
81.07064	32.3
83.08620	2.8
83.12836	1.3
87.05598	72.7
88.03999	70.0
90.05556	2.9
91.05497	7.4
93.07057	18.8
95.04904	1.4
95.08609	24.2
95.52389	1.3
105.07046	7.8
107.08596	9.1
109.10169	15.4
116.03489	8.5
117.07060	1.7
118.43597	1.3
119.08596	7.4
121.10174	7.9
123.11706	6.6
129.07037	1.7
131.08545	4.6
133.06100	100.0
133.10123	3.8
135.11685	5.5
137.09576	2.3
137.13271	2.6
145.10123	4.0
147.11685	4.1
149.13255	5.7
157.10167	1.7
159.11743	2.6
161.13322	2.2
163.14830	2.1
173.13300	2.4
243.21182	3.8
261.22147	7.8
288.23117	1.5
302.24948	1.6
313.21741	2.2
330.24246	2.1
341.21164	2.0
358.24146	1.4
376.24750	8.8
393.27435	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	393.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.0
57.03424	3.5
57.07081	35.6
65.18996	1.1
67.05501	16.2
69.07076	11.0
71.08637	28.6
71.45232	1.3
71.55839	1.8
79.05473	1.9
81.07058	19.8
83.08621	13.7
85.10194	14.5
91.05491	2.9
93.07043	3.6
95.04987	2.2
95.08607	28.1
97.06539	1.6
97.10162	4.8
98.98472	67.9
105.07021	3.0
107.08589	3.8
109.10165	13.1
111.11749	2.1
119.08593	3.0
119.45461	1.4
121.10136	3.5
123.11746	6.9
125.13287	1.9
133.10086	2.2
134.83444	1.3
135.11678	1.6
137.13312	2.6
141.75912	1.3
145.10202	1.8
155.01050	100.0
157.10112	1.7
171.11691	1.4
187.14619	1.4
191.90794	1.4
195.12102	1.6
239.23676	7.4
375.32626	1.9
393.34775	2.4
408.91818	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2484
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
55.05502	9.1
57.07075	4.3
64.58136	2.2
67.05499	9.0
68.59992	2.6
69.03415	5.3
69.07084	13.3
70.06590	5.0
71.04990	3.9
71.13364	5.2
72.08176	13.2
77.39404	2.9
79.05484	8.7
80.56699	3.0
81.03421	6.2
81.07058	24.4
83.04961	3.3
83.08614	10.3
84.04497	3.6
84.08138	3.2
85.02915	8.7
85.06533	7.7
86.09731	3.7
91.05479	5.1
93.07052	19.2
95.08621	34.4
97.02881	4.7
97.10191	3.5
99.08092	3.5
105.07056	3.5
107.08604	28.3
109.02838	3.7
109.10187	15.9
120.08116	4.9
121.10148	38.2
123.11713	4.0
127.03874	3.9
135.11708	9.0
137.13257	5.2
145.04898	3.0
149.13245	3.6
149.95885	2.7
160.46298	2.8
165.16444	3.9
177.16388	77.4
183.17406	5.6
195.17451	31.1
204.08784	4.3
208.77641	2.6
213.18530	10.0
216.08826	100.0
217.09099	4.2
218.10457	4.3
225.06496	11.3
226.07292	3.0
230.10382	8.8
231.19492	15.2
240.08844	53.3
241.09488	3.2
243.10135	2.7
246.09763	6.4
268.08313	5.0
272.11270	3.2
300.10928	51.8
343.11563	3.1
361.12619	4.0
375.14038	5.9
393.15048	23.3
414.56506	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2133
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.59442	0.3
60.19241	0.3
67.05524	0.3
69.07057	0.4
69.44740	1.4
69.45148	0.4
70.06575	0.5
71.24385	0.3
72.08161	0.6
79.05508	0.7
79.47466	0.3
81.03431	0.5
81.07050	1.1
83.04989	0.3
85.02904	0.4
85.06554	0.4
86.09713	6.4
87.05598	1.7
91.05473	0.8
93.07068	1.8
95.04985	0.5
95.08604	0.5
97.06535	0.5
103.05490	2.9
105.07035	0.5
107.05001	0.3
110.07204	0.4
115.05074	1.4
119.08562	0.4
120.08112	100.0
121.08443	1.1
121.10149	0.7
123.08089	0.3
127.03930	0.4
132.10211	1.3
147.11702	0.4
161.13324	0.3
167.10686	0.9
176.09315	0.4
177.10278	1.2
200.14034	0.3
205.09816	0.7
207.12070	0.3
217.09814	0.9
234.12486	0.6
262.11914	4.0
279.17041	4.7
294.39087	0.3
375.20523	0.4
393.16006	0.3
394.21024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03068	0.8
51.58861	0.9
51.75317	0.8
53.03947	1.0
55.01862	2.1
55.05513	6.8
55.76279	0.8
57.03435	1.9
57.98821	1.2
58.99588	22.0
61.01132	1.3
61.02911	0.9
65.03920	1.1
66.24257	0.8
67.05231	0.8
67.05508	9.3
69.03422	3.0
69.07060	6.4
70.03558	4.5
70.06580	2.5
71.04981	3.5
71.55688	0.9
72.08173	6.0
73.01136	1.3
76.02237	9.2
76.03996	3.1
79.05149	0.8
79.05503	8.0
81.03402	2.9
81.07059	18.6
83.04989	2.1
83.08622	4.2
84.08115	1.5
85.02872	1.9
85.06543	4.7
86.09681	2.8
86.99055	19.1
88.02235	4.3
91.05494	6.4
93.07066	7.0
95.04961	2.5
95.08057	1.4
95.08612	23.1
97.02897	2.6
97.06542	10.1
97.10175	1.6
98.20746	1.7
99.08099	2.4
105.07031	6.8
107.04991	1.9
107.06086	0.9
107.08597	3.8
109.02901	1.9
109.06551	1.2
109.10136	3.6
111.04375	1.0
111.08190	1.6
113.09644	0.9
115.05433	1.1
116.01683	68.3
116.37966	1.0
119.08586	12.5
120.08117	6.7
121.06528	1.1
121.10117	3.7
123.08049	1.5
125.07111	1.0
127.03914	1.8
127.07567	1.2
130.04988	1.6
131.08566	1.9
133.06468	1.5
133.10141	6.0
135.04416	1.8
135.11710	4.7
135.69109	0.9
137.05983	2.6
137.09619	1.3
137.13280	4.3
140.97162	0.9
142.15836	0.8
144.01149	25.4
147.04343	1.8
149.13220	1.0
150.07730	2.3
161.13258	18.4
162.02208	100.0
171.02899	1.1
178.84949	0.9
179.04837	2.0
179.14328	16.8
185.09584	1.6
189.05469	1.4
197.15392	17.4
201.05412	0.9
201.09077	1.0
215.16435	3.1
229.12553	1.3
243.10217	1.0
255.14113	1.5
272.16751	2.8
273.15164	4.1
282.69315	1.1
301.14325	1.0
340.15683	4.0
358.16943	4.7
375.18384	1.5
376.17749	6.9
388.93259	0.8
393.19485	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	391.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	2.7
57.07083	4.8
65.03954	0.5
67.05510	0.6
69.07080	5.1
69.23301	2.5
69.23715	1.3
71.08640	5.3
78.11060	0.3
79.05499	0.8
81.07043	1.6
83.08631	3.2
85.10190	0.7
89.06024	1.5
91.05471	0.5
92.68185	0.3
93.07030	1.0
95.08614	1.5
97.10181	1.6
99.04461	2.7
105.07024	0.6
107.04946	0.7
107.08569	0.7
109.06541	0.6
109.10164	0.9
111.04466	0.4
111.11718	0.8
119.08591	0.7
121.02886	1.1
121.10165	0.4
125.06004	100.0
126.06342	1.1
127.03930	1.7
133.08626	0.4
133.10117	0.6
145.10120	0.6
149.02359	19.4
163.11230	0.7
167.03455	1.6
195.12233	0.5
284.42545	0.4
370.97867	0.4
383.00903	0.4
391.30838	0.8
391.35779	10.9
405.20166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03162	0.8
51.18663	0.7
53.00290	0.7
53.03949	5.8
53.04154	1.1
53.26224	0.7
54.72203	0.7
55.01627	0.9
55.01876	12.7
55.05268	1.6
55.05515	22.8
56.65693	0.8
57.03433	5.4
57.07079	29.3
67.05515	8.7
69.03430	1.4
69.07071	47.1
71.04987	2.4
71.08633	19.7
71.56244	1.5
74.85218	0.8
79.05507	4.9
81.03415	11.5
81.07063	16.6
83.04990	1.8
83.08624	33.5
85.10197	9.4
89.06022	2.8
91.05470	4.1
93.07044	11.3
95.04972	2.7
95.08611	14.3
97.02928	1.4
97.06520	3.1
97.10171	18.2
99.04468	2.4
105.07050	5.8
107.04985	0.9
107.08614	9.6
109.02885	19.2
109.06528	3.5
109.10165	9.8
111.08073	3.1
111.11724	10.4
113.06003	1.7
115.03922	6.5
119.08583	4.5
121.06523	2.8
121.10133	6.6
123.04444	2.9
123.08063	3.0
123.11733	4.8
125.02380	7.4
125.05987	1.9
125.09625	3.1
125.13261	3.0
127.03924	100.0
131.08575	3.7
133.10120	2.9
135.08060	2.7
135.11682	3.5
137.09654	1.5
137.13281	1.8
139.03850	1.4
139.07571	6.1
139.11136	0.8
141.05443	5.4
145.04951	1.4
145.10080	3.1
147.11685	2.8
149.02347	12.4
149.05899	1.0
149.09628	6.2
149.13237	1.8
151.07501	1.5
151.11188	2.3
153.05484	1.9
153.09099	1.6
155.07025	2.5
159.11719	3.2
161.13202	1.4
163.07610	1.0
163.11208	3.0
163.14833	1.5
165.09172	1.7
165.12770	0.9
167.07022	2.7
167.10681	2.1
169.08614	8.7
173.13277	2.6
174.81573	0.8
175.14754	1.1
177.09132	10.4
177.12740	1.7
179.10747	1.4
181.08678	1.8
183.10176	12.6
190.42078	0.9
191.10602	1.4
191.14255	1.1
195.10199	13.1
195.12111	1.7
195.13881	1.3
197.11768	5.9
201.16367	1.0
205.15860	1.9
207.13881	0.9
209.11748	2.8
211.13255	2.1
215.14317	0.8
223.13312	2.0
225.14920	2.4
237.14851	2.9
239.16435	3.0
247.17061	1.0
251.16437	2.2
253.18011	4.4
265.17953	3.2
265.71432	0.8
267.19470	1.3
279.19574	2.4
281.21271	1.1
295.22818	0.9
299.27158	1.0
309.05566	0.8
309.24298	1.9
321.24301	0.9
335.25784	1.3
345.31491	2.3
355.29660	1.2
373.31079	10.2
391.31943	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	391.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94410	0.7
53.03948	4.4
55.01878	10.8
55.05514	14.1
57.03434	4.8
57.07081	13.0
57.90559	0.8
64.76035	0.9
67.05495	3.9
67.66463	0.8
68.04705	0.8
69.07070	32.6
69.47044	6.6
71.08639	10.8
81.02978	1.3
81.03419	11.7
81.07066	4.3
83.08144	1.6
83.08624	19.9
85.10198	6.7
91.05481	1.3
93.07037	1.9
95.04964	1.6
95.08624	5.4
97.02899	1.4
97.10176	13.5
98.21493	1.9
99.04443	1.2
99.11744	1.1
105.07050	1.8
107.08559	2.7
109.02881	30.4
109.10159	6.8
111.11721	6.7
113.06046	0.9
115.03938	8.9
123.04427	1.6
123.08109	1.2
123.11724	2.1
125.13241	4.2
127.03922	100.0
128.04254	1.6
131.08601	0.9
139.14821	2.4
141.05463	5.6
147.93347	0.8
149.02327	1.9
149.09602	1.7
151.11200	1.3
153.05531	0.9
155.07043	2.9
169.08672	5.1
183.10164	18.5
195.10204	7.1
197.11740	8.9
209.11723	2.9
211.13333	4.5
223.13373	2.7
225.14790	4.2
225.83835	1.0
237.14842	3.9
239.16438	5.1
250.65233	0.9
250.67848	0.9
251.16481	4.6
253.17979	8.7
265.17941	5.1
267.19571	3.4
279.19580	4.1
281.21185	2.4
292.84406	0.9
293.21072	2.1
295.22601	2.5
307.22699	2.0
309.07611	0.8
309.24167	3.2
321.24170	1.6
335.25635	2.4
367.52243	0.9
391.27179	1.7
391.32071	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
53.16615	3.0
55.01896	3.4
55.05512	16.9
57.07074	9.8
63.08595	3.2
65.03927	4.1
67.05505	19.0
69.03453	4.1
69.07056	11.6
70.62637	10.5
77.03936	3.7
78.39137	3.7
79.05506	33.1
81.07053	41.7
83.04993	5.0
83.08606	3.4
85.06554	5.8
91.05476	41.4
93.07042	43.9
95.04976	46.7
95.08581	25.9
97.06544	3.9
97.10193	3.5
103.05470	4.2
105.06369	6.2
105.07037	67.7
107.08593	29.4
109.06513	8.1
109.10137	5.6
112.21664	2.9
115.05452	9.0
117.07023	17.5
119.08580	50.5
121.06498	13.4
121.10143	24.3
123.08028	5.7
123.11687	5.7
125.46474	3.2
128.06218	11.0
129.07011	11.5
130.07800	8.8
131.08591	25.0
133.10135	18.2
135.08080	6.6
135.11736	5.3
141.06998	7.7
142.07793	14.5
143.08551	34.1
144.09325	9.2
145.10132	41.4
147.08018	9.3
147.11703	10.7
149.02339	38.3
149.09689	4.7
153.07040	3.8
155.08536	13.7
156.09349	13.1
157.10129	34.7
158.10902	4.5
159.05318	3.5
159.08055	7.8
159.11714	18.5
161.09616	10.8
165.07014	10.1
166.07726	6.5
167.03365	4.3
167.08571	10.9
167.10672	3.7
168.09334	5.7
169.10133	23.7
170.10992	8.3
171.11684	17.1
173.09628	10.8
173.13300	14.3
175.11198	4.0
179.08574	10.1
180.09352	8.1
181.10138	21.2
182.10912	8.9
183.11691	22.1
184.12381	4.6
185.13292	10.5
191.14290	7.9
192.09331	5.9
193.10139	15.6
194.10915	9.2
195.11710	20.0
196.12343	5.6
197.13309	21.5
199.11182	9.1
199.14844	7.7
201.16373	4.9
203.14365	5.3
205.10207	6.9
206.10913	9.3
207.11601	21.8
208.12498	7.1
209.13306	16.6
211.14807	6.4
213.12674	8.3
215.14275	4.5
216.09224	3.7
217.10188	4.4
217.15921	3.6
218.10838	3.5
219.11736	8.0
220.12526	6.0
221.13240	13.0
222.13922	7.3
223.11154	4.3
223.14833	13.9
225.12776	4.3
227.14369	8.2
231.11511	3.9
232.12480	4.7
233.13245	10.4
233.15375	5.1
234.14021	6.7
235.14893	10.3
236.15411	4.2
237.12683	4.5
245.13440	6.3
246.01593	3.9
247.14674	6.0
249.16461	11.7
251.18036	7.1
261.16266	5.1
263.17868	5.7
267.17361	5.1
282.19785	7.0
286.16925	3.5
289.49487	3.9
291.17273	5.5
293.18970	5.9
295.20346	4.3
297.18561	5.0
303.17413	3.4
335.20233	4.2
373.25253	18.4
391.15479	4.8
391.26303	100.0
391.36249	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79363	0.6
57.07077	0.8
60.25357	0.7
67.05501	1.0
69.07101	0.7
69.51790	5.0
69.80849	0.6
70.06585	1.0
71.08620	2.0
71.40337	0.6
72.08113	0.8
78.19640	0.6
79.05492	1.5
81.07040	1.7
82.83960	0.6
85.08123	0.6
91.05489	0.9
93.07045	1.2
97.06535	0.8
105.06988	1.5
107.08598	1.7
119.08583	0.8
121.02845	0.9
121.10162	0.9
121.97447	0.6
135.11703	0.8
145.10118	0.8
149.02351	11.4
167.03418	1.3
209.13364	0.7
391.24561	100.0
391.35617	2.1
392.24899	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50327	0.6
55.01858	0.6
55.05501	0.8
56.21863	0.7
57.07084	3.9
57.79006	0.6
58.06584	1.0
67.05482	1.5
69.07051	1.1
69.57269	2.1
69.57700	2.5
70.06252	0.7
70.06599	7.9
71.06922	1.6
71.08623	2.7
72.08146	2.8
81.07046	2.3
84.08187	0.7
86.09701	1.2
88.07634	4.9
89.07961	0.8
91.05489	1.0
93.07033	1.8
95.04984	0.8
95.08589	1.3
98.20765	1.4
102.09210	3.0
105.07027	1.8
109.06554	0.6
109.10093	0.8
119.08562	1.2
121.10139	1.0
131.08481	0.8
132.10208	2.3
133.10117	0.9
146.11794	1.9
149.02362	10.2
157.10098	1.2
165.12820	0.9
167.03397	1.1
173.13245	0.7
181.09911	0.7
205.25700	0.6
238.88322	0.6
284.29495	4.0
285.29871	12.2
321.17072	0.8
328.32120	2.2
329.32489	9.9
373.35019	1.1
390.35913	3.8
391.24579	100.0
391.36072	46.0
392.24905	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23711	0.6
55.05521	0.9
57.07061	2.4
67.05502	1.4
69.07059	1.7
70.06600	5.3
71.06908	1.0
71.08616	1.8
71.29232	0.8
71.29557	0.7
72.08142	1.8
79.05491	1.1
81.07046	2.2
83.04955	0.7
83.13303	0.5
88.07642	1.3
88.79930	0.5
91.05461	1.5
93.07030	1.5
95.04990	1.1
95.08595	1.9
98.09674	0.8
102.09201	0.6
105.07024	0.9
107.08551	1.4
117.06953	0.8
119.08601	1.4
121.10123	1.1
123.11856	0.6
124.82893	0.6
127.20815	0.6
131.07126	0.6
131.08568	0.6
132.10228	1.7
133.10266	0.7
139.58844	0.6
145.10112	1.0
146.11801	1.9
147.11978	0.7
149.02345	10.7
157.10123	0.9
161.09615	0.6
185.13263	0.6
186.61649	0.6
285.29816	3.1
321.16730	1.5
322.59674	0.7
328.32300	0.9
329.32504	9.2
369.19507	0.7
390.35458	1.4
391.24564	100.0
391.36008	26.3
392.24899	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	391.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83170	2.6
55.05516	14.3
56.05036	3.7
57.03436	6.0
57.07093	3.3
57.76040	2.9
58.99590	3.3
59.04993	3.0
61.01151	3.1
61.02932	6.1
65.03934	4.6
67.05506	10.4
67.21059	3.0
68.43112	3.3
69.03432	25.4
69.07069	9.4
69.32919	27.9
70.06594	27.3
71.04996	9.0
71.08645	5.8
72.08157	42.6
79.05508	15.4
81.03426	15.2
81.07061	25.4
83.04984	3.4
83.06104	13.2
83.08603	7.0
84.04507	40.9
84.08141	11.4
85.02909	48.0
86.09695	13.4
86.99068	5.9
89.10788	6.9
91.05489	19.7
93.07061	22.3
95.04977	11.6
95.08609	15.8
96.04524	5.0
96.08125	3.5
97.02921	22.1
97.06542	6.0
98.06000	4.0
98.09691	8.2
99.04474	5.1
99.08083	3.9
101.07147	3.9
102.05515	3.3
105.07035	18.3
107.04960	5.0
107.08617	25.6
108.04436	3.1
109.02870	7.9
109.06529	12.1
109.10147	13.1
111.04429	3.3
111.08089	5.0
116.01653	15.5
116.07102	8.8
117.07030	4.6
118.06535	8.9
119.08601	16.0
120.08126	8.3
121.10136	24.0
123.04412	3.3
123.08080	4.7
123.11720	14.8
124.07574	3.0
125.09583	5.8
127.03914	14.8
129.10248	3.0
130.05026	28.1
130.06526	4.5
131.04958	5.2
131.08534	3.8
132.10231	5.3
133.10129	18.8
133.18974	2.7
135.11694	10.0
136.07558	4.7
137.05962	5.9
137.09668	3.6
142.05054	5.5
144.01186	5.1
145.04973	4.3
147.04427	7.5
147.07693	9.7
147.11755	4.7
149.02374	32.2
149.09648	7.5
149.13300	5.2
151.09964	5.2
151.11192	100.0
152.07062	3.8
153.05482	5.8
157.07652	8.0
158.06012	4.6
162.02217	17.2
163.11192	7.1
167.08298	5.1
167.14177	3.0
169.12251	80.3
175.08875	3.0
175.14815	24.9
178.53641	3.1
183.32333	2.7
184.13332	4.1
186.09236	4.4
188.05710	3.4
192.10271	7.0
193.12247	4.3
193.15910	30.0
201.06514	4.0
211.16974	20.4
213.09161	6.7
214.09999	4.8
229.17986	74.1
241.08606	4.4
250.14368	5.3
253.09702	4.1
257.07684	7.2
262.16492	7.0
330.22552	3.4
331.18527	4.9
338.15921	8.8
356.17267	3.1
369.14478	3.0
373.13934	3.2
373.18561	7.9
391.15356	14.6
391.20596	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	391.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.0
55.05504	8.1
57.07072	10.9
61.02911	6.6
67.05495	20.8
69.03429	17.0
69.07069	8.8
69.76021	22.1
70.06586	9.3
71.05006	27.8
71.08637	10.3
72.08152	17.9
73.02913	5.9
79.05496	11.2
81.03439	28.2
81.07056	18.6
83.04995	12.7
83.08587	6.8
85.02914	41.3
85.06521	7.6
87.00849	13.0
89.10770	6.3
91.05477	13.6
93.07033	16.6
95.04956	28.3
95.08585	13.1
96.08138	17.4
97.02895	15.1
97.06546	6.5
97.10144	11.7
98.21431	6.8
105.01868	12.7
105.07027	17.9
107.08622	34.7
109.02910	18.7
109.06551	6.3
109.10161	13.6
111.04390	6.5
119.08559	12.4
121.10145	7.0
125.09663	62.5
127.03934	25.6
133.18382	5.1
137.09688	8.9
143.10686	67.8
145.04947	7.6
145.10123	6.3
149.02367	100.0
159.02917	10.6
159.11725	7.9
161.09549	6.5
163.03873	8.7
167.03333	5.7
167.10649	16.8
168.13863	6.0
171.08066	6.1
233.11595	6.3
276.07068	5.8
372.44363	5.7
391.25803	11.6
391.33926	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	391.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51472	1.1
53.03943	2.4
55.01878	7.5
55.05261	2.4
55.05514	27.7
57.03427	5.5
57.07079	12.5
67.05511	22.0
68.74069	1.2
69.06731	2.0
69.07076	33.2
70.27894	3.6
70.28234	1.5
71.08636	8.2
79.05495	11.8
81.07061	29.2
83.04999	2.2
83.08147	1.9
83.08624	28.7
85.06541	2.8
89.01871	1.2
91.05461	3.0
93.07047	15.6
95.04961	1.5
95.08608	20.4
97.06519	6.0
97.10167	18.6
98.98470	93.3
99.08046	1.2
105.07013	3.3
107.08594	10.3
108.48454	1.2
109.10171	7.8
110.24658	1.2
111.08065	4.6
111.11694	5.0
116.99494	2.3
119.08552	4.3
121.10145	17.7
123.11707	4.6
131.08501	2.1
133.10204	2.4
135.11703	14.1
137.13252	3.0
139.11150	1.6
145.10101	2.2
149.02373	16.9
149.13275	6.2
155.01053	100.0
155.07013	1.3
163.14857	1.8
167.12718	1.4
169.10028	2.4
173.13237	1.8
183.11691	1.5
185.13208	1.5
187.14726	1.5
195.11842	1.5
219.21111	10.5
221.32321	1.3
237.22128	24.8
292.90106	1.4
309.89661	1.6
317.18039	2.0
391.19199	3.2
391.26431	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	390.1548
Annotation	N,O-Dimethyloxostephine
Peak:m/z	Relative Intensity
56.05022	2.7
65.03948	2.9
69.03437	2.2
70.06602	17.5
70.42054	3.8
70.42416	3.8
72.08151	8.4
79.05470	4.5
81.03411	2.8
81.07051	4.5
84.04510	5.4
84.08161	13.3
85.02898	4.8
86.09718	8.0
88.04007	4.6
89.06087	2.1
91.05486	9.7
93.03402	7.3
93.07075	3.6
95.05006	4.7
96.08143	6.6
97.02907	3.4
98.21336	2.1
102.05546	2.6
103.05454	5.8
105.07029	3.5
107.04951	5.2
109.06546	2.3
111.04451	8.8
111.26393	2.0
115.05447	5.3
117.07028	11.9
119.04972	3.4
120.08101	2.5
120.90327	2.1
121.06561	9.1
123.04410	5.0
124.07597	44.5
125.06017	15.5
127.03920	2.7
128.07118	2.1
131.04945	4.6
132.10182	2.0
133.06512	5.0
134.37187	2.1
137.06010	12.4
141.07001	3.1
142.08621	17.8
143.05011	3.1
145.02757	2.0
145.06490	26.5
147.04414	12.8
147.08075	4.3
149.05981	34.9
150.09180	9.5
151.03920	31.2
151.05086	3.5
153.05475	50.4
153.06726	3.0
155.04912	3.1
155.06081	1.9
161.06021	4.9
161.08354	6.3
163.03990	2.3
163.07571	3.6
165.05579	3.7
165.07025	4.2
167.08585	3.4
169.06541	3.8
171.04398	13.6
173.05992	9.6
175.03963	5.4
176.10722	70.3
177.05505	16.2
177.06912	2.4
178.08627	4.4
181.06465	2.7
184.07578	3.8
189.05524	5.0
191.07036	25.5
191.08586	2.8
193.04970	6.7
193.06514	3.5
195.06540	18.3
195.08116	5.0
196.09767	10.9
197.06055	5.6
199.03932	5.6
199.07545	2.0
202.08652	8.6
210.06799	2.6
210.11174	3.7
211.07541	6.6
212.04677	4.6
213.08942	2.6
217.04993	9.7
220.09618	2.9
221.05925	12.2
222.09119	3.4
222.11269	65.2
223.07565	6.4
224.09035	2.0
225.05492	3.4
225.09232	3.3
227.07022	36.2
228.12459	2.7
229.08568	4.3
235.06021	7.3
238.06290	2.9
239.07050	3.0
240.07976	3.1
241.08624	8.0
242.09361	7.1
243.10089	12.5
253.08655	16.3
255.10100	11.0
257.08118	3.1
266.10306	5.7
271.09692	4.6
281.08099	7.4
284.12878	7.3
295.09698	6.4
299.09106	12.0
326.10153	2.1
326.13867	50.7
330.13425	29.3
341.10156	9.0
344.14957	42.8
359.11099	2.3
372.14508	24.1
373.14749	2.2
390.15503	100.0
390.20383	3.8
391.15540	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	390.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
53.24124	0.4
55.01872	0.7
55.05505	1.3
60.04526	0.8
67.05512	0.5
68.05029	0.6
69.03425	0.9
69.07048	0.4
70.06609	2.7
70.82243	0.9
70.82574	0.5
71.04983	0.4
72.08166	2.5
79.05501	4.5
79.05912	0.6
80.05022	1.5
81.03412	1.9
81.05815	5.0
81.07072	3.4
82.06582	0.5
83.04993	0.6
84.04497	0.5
84.08133	1.8
85.02912	1.6
86.09708	2.9
87.10047	1.0
88.03983	1.3
91.05486	3.1
92.05809	0.6
93.07018	0.5
94.04202	0.5
94.06567	1.7
95.05015	0.9
96.08138	17.3
97.02896	1.0
97.06576	0.7
100.07605	0.5
103.05484	0.6
106.06557	3.1
107.04971	1.2
107.08566	0.5
109.02882	1.0
109.06527	0.7
115.05434	0.9
116.07095	1.1
117.07050	1.4
119.04971	2.9
119.08551	0.5
120.08134	1.2
121.06557	0.7
122.03648	2.0
123.04436	0.9
124.07602	100.0
125.06000	1.9
125.07925	1.3
125.09649	0.5
127.03906	0.9
130.05020	0.5
130.06548	0.9
131.04944	0.9
133.06519	1.8
137.02385	1.1
137.05989	38.8
138.06316	0.7
142.08653	0.9
144.08113	0.5
145.06551	2.3
147.04420	2.0
148.07545	1.1
149.05988	1.3
150.09187	1.2
151.03958	0.5
151.07556	1.9
153.05493	5.0
153.06676	0.7
159.04465	0.9
159.06729	0.5
160.07591	1.3
161.06001	0.9
161.08345	0.9
162.09152	2.0
163.03946	1.5
165.07098	0.8
167.01619	0.8
170.75020	0.4
171.04497	1.4
174.09149	4.6
175.03978	0.6
177.05562	0.8
179.08527	1.1
181.06575	0.7
182.06468	0.5
183.08026	0.8
184.07607	0.4
189.05502	0.6
189.07803	0.9
190.08763	2.1
191.03586	0.6
192.10234	0.7
195.06526	1.1
196.09718	0.7
202.08676	1.3
207.08072	3.6
209.02704	0.8
211.07585	1.3
213.05547	1.3
213.09190	0.8
219.08084	0.5
225.09149	0.5
228.06927	0.7
228.12242	0.6
232.85939	0.5
234.11256	0.6
235.07571	6.5
236.09047	1.5
237.09134	0.5
239.07050	0.9
239.10750	1.0
241.08713	0.9
242.09367	1.0
249.09236	0.6
255.03241	0.8
262.06271	0.6
263.07092	1.7
267.10104	3.2
269.11914	1.3
271.09717	2.1
277.08737	0.6
279.10196	0.6
280.07373	0.6
280.12173	0.6
281.11691	0.6
283.12070	0.9
285.07452	0.5
291.99899	0.5
295.09702	5.9
298.14413	21.7
299.14688	0.8
312.12491	1.1
313.10846	2.8
323.09152	1.5
326.13943	4.3
341.10278	1.3
344.14948	29.2
345.15320	1.2
359.11234	1.3
372.14612	2.5
372.18954	0.4
390.15515	30.8
391.15863	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
56.05035	2.1
65.03947	3.9
68.05007	2.6
69.03426	4.4
69.77304	4.3
69.77715	7.9
70.06600	13.1
72.08147	5.8
79.05495	5.3
81.03400	3.5
81.05795	3.1
81.07041	6.0
82.06555	2.4
83.05009	2.8
84.04503	6.0
84.08152	10.3
85.02895	6.2
86.09714	6.3
88.03986	5.0
89.06040	2.5
90.99961	1.9
91.05486	9.1
93.03412	6.8
93.07050	2.0
94.06545	2.3
95.04993	4.2
95.08528	2.1
96.08131	10.6
97.02909	3.3
98.06060	2.0
99.04486	3.3
102.05536	3.0
103.05466	5.0
105.07034	2.9
106.06532	2.3
107.05007	4.1
109.02870	4.3
111.04456	8.1
114.05499	2.3
115.05464	3.1
116.07091	2.2
117.07018	11.5
119.04958	6.8
119.08598	3.4
121.06515	11.5
123.04418	2.7
124.07591	68.8
125.05983	16.2
131.04962	2.3
132.10190	3.4
133.06506	4.0
135.08011	2.1
136.07585	2.6
137.05974	13.1
142.08629	23.6
145.06483	28.2
147.04408	16.0
147.08051	7.0
148.06033	1.8
149.05994	32.3
150.09203	13.8
151.03893	30.4
151.04971	3.0
153.05478	48.9
155.05014	2.0
158.09592	2.1
160.07741	2.2
161.05980	6.5
161.08311	5.3
163.07590	3.2
165.05544	3.5
165.07050	2.9
167.01646	4.1
167.08611	3.0
169.06520	5.1
171.04398	13.0
173.06007	10.3
175.03957	6.3
176.10712	70.7
177.05452	14.2
178.08669	5.4
184.07578	3.3
189.05510	5.4
191.07028	25.5
191.08563	4.1
193.03380	2.8
193.04980	7.7
193.06418	4.4
195.06560	17.7
195.08095	4.9
196.09720	10.2
197.05981	3.1
199.03941	5.9
202.08667	6.2
210.06876	3.8
210.11278	3.1
211.07547	5.7
212.04747	4.9
217.04985	13.2
220.09712	3.6
221.06073	10.9
222.11263	66.5
223.07562	4.6
224.09044	2.6
225.09163	5.1
225.53111	2.0
227.07031	35.8
228.16762	2.5
229.08623	3.4
235.05972	6.2
238.06076	2.9
239.07130	4.4
241.08656	8.5
242.09424	4.8
243.10164	12.4
253.08620	17.1
255.10129	9.2
257.08121	5.4
258.11429	1.9
266.10193	5.9
271.09628	3.9
281.08051	6.6
283.02832	2.3
284.12918	9.3
295.09726	5.7
299.09235	16.4
313.10788	5.2
326.13892	49.5
330.13409	36.2
341.10196	8.8
344.11240	4.1
344.14990	39.9
359.11011	2.7
372.14413	19.2
390.15521	100.0
390.20401	6.6
391.15958	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05494	1.5
60.04519	1.8
62.44369	1.2
63.49611	1.3
65.03937	6.0
67.05519	2.6
68.05019	1.5
69.03427	2.4
69.07069	2.6
69.50323	3.1
69.50733	7.8
70.06579	4.6
71.05003	1.9
72.08152	4.4
79.05495	3.1
81.03418	3.7
81.07067	2.2
84.08131	2.7
85.02906	4.1
86.09682	3.6
88.03996	1.5
91.05492	13.0
93.03407	14.9
93.07032	2.9
95.04964	4.1
97.01096	2.9
97.02933	1.8
97.06544	2.6
100.07616	2.8
103.05415	1.8
105.07072	1.8
106.05043	1.8
107.04955	3.1
109.06525	1.6
110.03634	1.9
111.04455	14.4
119.04956	10.8
120.08099	1.5
121.06517	4.8
122.76040	1.2
123.04460	3.7
124.02195	8.8
124.07607	15.7
125.06010	34.9
125.06953	1.7
127.03900	2.4
134.03607	2.3
135.04424	1.9
135.06786	1.6
137.05989	4.4
142.03253	4.5
147.04408	8.5
148.07634	4.4
149.05997	100.0
149.08411	8.2
150.09143	22.0
151.07559	2.2
153.05479	84.2
154.05827	1.5
161.06076	1.7
162.06831	3.0
163.03964	1.7
165.05466	7.0
177.05470	7.8
193.12270	2.6
195.06546	74.0
196.06842	1.6
196.09769	1.8
244.11644	2.1
280.25070	1.3
298.14450	1.8
305.63409	1.8
308.23956	1.5
344.14975	46.6
356.74881	1.4
390.15494	64.0
391.15915	2.7
396.94742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
54.81704	0.3
55.01877	0.5
55.05513	0.7
58.99581	0.4
68.05023	0.4
69.03432	0.5
69.07055	0.6
69.78028	1.6
70.06588	0.9
71.04997	0.5
72.08139	1.1
77.53050	0.4
79.05493	4.2
80.05024	1.1
81.03427	1.0
81.05801	5.1
81.07062	3.0
82.06563	0.6
84.08140	0.9
85.02910	1.2
86.09720	0.4
87.00836	0.4
90.01365	0.4
91.05461	1.0
94.06557	1.1
95.04974	0.8
96.08134	16.6
97.02892	0.4
97.06552	0.8
99.04499	0.4
105.07037	0.7
106.06562	2.6
107.04979	0.7
109.02916	0.5
116.88927	0.4
117.07044	0.4
119.04967	1.1
122.03617	0.5
122.06060	0.4
124.07597	100.0
125.05991	1.1
125.07942	1.5
133.06502	0.4
137.02406	0.4
137.05991	12.9
142.08676	0.8
145.06528	0.6
146.06018	0.4
147.04417	0.9
148.07599	0.5
149.05991	0.9
150.09116	0.6
151.07565	0.4
153.05464	1.8
159.03021	0.4
162.09190	0.7
163.03926	1.0
167.01660	1.3
171.04430	0.7
174.09140	1.5
177.05510	0.5
183.08110	0.4
190.08641	0.8
192.10265	0.4
195.06549	0.7
196.09496	0.4
202.08708	0.8
207.08060	1.0
209.02669	0.7
213.09106	0.6
234.11334	0.5
235.07538	2.2
236.09196	0.5
238.10371	0.4
242.09378	0.4
263.07187	0.5
267.10236	1.0
271.09512	0.4
280.12021	0.9
281.11542	0.5
283.11908	0.6
295.09637	2.1
298.14423	7.1
312.12366	0.8
313.10724	0.7
326.13766	2.1
341.10251	0.6
344.14960	9.7
372.14529	0.8
373.05838	0.5
374.02109	0.4
374.13663	0.4
390.15448	9.5
391.15881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
55.32397	1.0
63.88676	1.1
64.33005	0.9
67.05518	1.6
69.07086	1.5
70.80613	3.6
74.97240	1.1
79.05515	1.2
81.07068	1.2
81.66218	1.0
83.08627	1.2
93.07001	1.9
95.08602	1.9
105.07041	2.5
119.08620	1.8
121.10179	1.3
126.70382	1.0
131.08580	1.3
366.14200	3.3
389.22977	100.0
390.23294	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	390.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.01869	1.0
55.05485	0.6
56.05016	0.6
57.03445	0.8
61.02905	0.9
67.05492	0.9
68.98007	0.5
68.99774	0.9
69.03438	4.4
69.54365	2.8
70.06603	4.2
71.04987	0.9
72.08163	2.7
73.02914	1.0
79.05489	1.0
80.05032	0.7
81.03426	5.2
81.07051	1.3
84.04506	1.1
84.08160	1.6
85.02907	6.8
85.06517	0.5
86.09692	1.5
87.00835	2.3
91.03937	0.6
91.05479	2.7
93.07057	0.9
95.04965	0.9
97.01122	34.9
97.02870	2.7
97.06559	0.9
98.09717	0.6
99.04440	1.5
100.07646	3.3
105.01867	2.0
105.07021	1.1
106.02904	1.4
107.08624	0.6
109.02889	3.5
110.07123	0.6
118.08688	1.0
119.04955	4.9
119.08607	0.9
120.08120	0.6
121.06490	0.5
122.02730	1.8
123.04408	1.1
123.08080	0.5
124.02182	100.0
124.03917	2.6
125.02551	0.7
125.06021	0.8
127.03936	4.8
128.07050	0.6
133.10156	0.8
142.03230	56.4
143.03625	0.6
145.04964	1.4
145.10066	0.7
147.04425	11.5
149.05997	0.5
153.05489	1.6
159.02939	1.6
161.06007	1.2
162.06392	1.2
163.03925	0.7
167.07054	1.7
168.07326	0.6
175.07576	0.8
188.07961	0.9
190.05815	0.5
195.06560	0.7
205.08632	1.4
206.08932	1.9
228.10277	0.8
238.10735	0.5
244.11864	3.8
250.07228	0.7
255.11395	0.7
268.08322	1.2
269.12726	1.2
312.56647	0.6
328.21344	1.1
336.17029	0.5
372.07837	0.7
372.12979	0.5
372.19263	0.6
372.24042	2.1
390.08215	0.8
390.13947	2.7
390.19919	1.2
390.24512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03949	2.8
55.01876	0.8
57.03434	1.5
57.47330	0.6
61.02898	0.7
67.06213	0.5
69.03436	9.7
70.06584	2.4
70.44513	1.9
71.04985	1.0
72.08154	2.3
73.02934	0.7
78.03455	13.1
80.05012	2.1
81.03419	14.9
84.04507	2.0
84.08134	2.0
85.02912	8.7
86.09720	1.3
87.04462	1.1
96.04505	4.2
97.02898	5.5
99.04455	3.4
104.85252	0.6
105.05512	0.9
106.02923	55.5
109.02889	9.5
117.07011	0.7
121.06525	0.6
122.06051	0.6
123.04430	1.2
124.03961	100.0
124.07568	3.2
125.04288	1.3
125.06054	0.7
126.05602	0.5
127.03928	6.3
151.04063	0.7
153.05438	0.7
162.09129	0.5
165.05450	1.0
166.05019	1.8
172.04185	1.0
180.54694	0.5
195.08112	0.7
228.12323	0.9
232.06073	3.7
250.07138	17.2
250.09764	0.9
268.08176	45.7
344.14874	1.1
390.13928	3.8
395.81693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01867	11.4
55.05509	13.4
56.05033	6.4
57.03431	6.2
61.02918	8.9
63.12024	4.5
67.05503	20.9
68.05035	8.8
68.99819	5.4
69.03426	15.6
69.05803	21.3
69.07073	12.7
70.06601	39.2
71.04980	8.3
71.06924	6.5
71.35088	8.6
72.08160	32.4
78.61617	5.0
79.05486	22.1
81.03407	17.2
81.07043	23.7
83.04977	9.7
83.08636	7.4
84.04504	13.9
84.08140	20.0
85.02895	30.7
86.09707	100.0
86.61256	4.5
91.03915	8.2
91.05508	36.7
92.05798	6.0
93.07056	23.1
95.04959	26.9
95.08601	19.0
97.02887	21.9
97.06518	23.2
100.07652	6.6
103.05502	9.5
105.07040	25.3
107.04954	8.3
107.08602	16.3
108.21036	4.8
109.02832	9.1
109.06530	19.1
109.10154	15.2
111.04453	7.3
111.08035	5.0
115.05393	5.8
119.04935	8.9
119.08602	15.3
120.08131	24.8
121.10114	29.4
123.04441	10.7
123.08054	6.2
125.09685	6.0
127.03938	12.1
129.06979	6.7
131.04956	13.3
131.08591	13.6
133.06474	6.0
133.10165	37.1
135.08102	5.1
135.11681	7.8
137.05983	23.4
137.11919	6.1
145.10089	6.6
147.04431	21.2
147.11667	17.4
149.06026	7.5
149.13286	7.2
153.05466	11.5
153.09087	14.6
156.96942	5.2
157.06630	5.3
157.13338	11.7
161.06001	14.0
163.07529	11.0
163.11218	5.2
166.08646	9.7
167.07051	9.1
173.13246	17.1
174.09114	8.9
179.06737	6.3
181.04922	8.6
185.13025	5.5
188.07069	13.4
191.14323	17.1
203.07040	28.4
209.15390	59.1
220.09676	33.3
222.08449	12.0
227.11246	6.6
227.16486	20.9
232.09700	6.9
241.09764	5.4
249.12389	52.9
265.09833	7.2
293.09058	12.7
297.08646	10.4
311.10071	6.3
329.11292	17.6
339.09805	8.8
357.10843	14.8
362.20599	34.4
367.70886	5.5
384.52643	5.4
389.13351	22.2
389.23590	17.8
390.20114	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.217
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.18798	13.7
53.27768	11.2
55.70941	13.9
70.90104	26.8
70.90446	19.5
81.07019	15.2
85.06491	13.0
86.63803	12.0
91.05495	17.9
93.07032	21.9
95.08610	29.2
99.08086	21.2
107.08601	50.2
109.06506	15.1
109.10182	20.7
114.41178	13.8
115.79603	12.2
121.06548	15.3
121.10142	20.8
123.08137	22.8
133.10178	20.6
135.08116	23.4
135.11664	12.8
139.08264	14.1
149.09647	70.5
149.13272	20.5
151.11235	31.2
163.14812	43.3
173.13400	21.1
191.14323	93.5
209.15428	100.0
217.27426	13.4
237.29399	13.5
351.29144	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	388.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49717	0.7
55.67602	0.6
57.12029	0.7
61.04052	0.8
67.05500	1.2
69.03427	1.8
69.07056	0.8
69.62435	4.0
70.06590	3.1
71.04989	0.9
72.08188	1.3
73.06563	1.1
79.05518	1.2
81.03424	1.3
81.07069	1.4
82.13093	0.6
84.04520	1.5
84.08140	2.6
85.02904	1.6
86.09722	2.9
87.04469	5.4
87.04967	0.7
89.06038	100.0
91.05495	2.1
91.07563	0.9
93.07065	1.0
95.04976	1.4
95.08564	0.9
96.08148	3.3
97.02908	12.9
105.07036	1.8
106.02919	2.4
107.07066	1.7
107.08595	2.1
108.52503	0.8
109.02872	0.7
109.06521	0.7
110.07172	1.7
120.08107	0.8
121.06526	3.1
121.10193	1.0
124.03973	4.4
131.04909	1.2
131.07054	1.7
133.08615	59.0
142.05046	0.9
147.04320	0.8
157.10213	0.7
163.07597	0.6
163.14828	1.1
168.06572	0.7
173.13258	1.9
176.07245	0.7
177.11237	22.5
191.14348	1.1
208.14185	1.0
209.15417	1.8
220.06035	3.2
221.13861	2.8
226.10954	2.0
238.07037	1.1
239.14960	1.7
265.16461	0.7
283.17667	2.2
327.20169	2.5
370.11417	0.9
370.22101	0.9
371.22781	20.6
388.18127	1.4
388.23334	3.5
389.13321	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1617
Annotation	benzyladenine-9-N-glucoside
Peak:m/z	Relative Intensity
50.74668	0.3
53.03995	0.3
53.75143	0.2
54.76556	0.3
55.01863	0.3
55.32744	0.2
57.03436	0.5
59.05001	0.3
61.02925	0.7
65.03934	1.1
67.05511	0.6
69.03432	2.1
69.50320	1.7
70.06593	3.2
70.44933	0.2
71.05002	0.5
72.08156	0.4
73.02932	0.5
79.05497	0.4
81.03431	0.8
81.07076	0.4
81.52391	0.3
85.02915	2.6
86.09745	0.3
87.04417	0.3
91.05486	66.5
92.05828	0.7
97.06506	0.3
99.04433	0.3
105.07043	0.4
107.08575	0.3
109.02863	0.5
111.04441	0.3
121.10164	0.6
127.88746	0.3
137.06020	1.9
137.75092	0.2
138.06328	1.3
145.04993	0.3
147.04323	0.3
148.06177	1.0
153.05545	0.2
167.07002	0.5
181.04999	0.3
190.06282	0.3
209.08316	0.5
212.14104	0.3
221.08157	1.5
226.10890	100.0
227.11240	2.3
236.16638	0.3
249.36951	0.3
254.17645	0.4
268.11740	0.3
320.30115	0.3
328.21176	0.8
339.68311	0.3
358.13663	0.4
370.22549	0.3
388.16171	38.4
388.23160	3.9
389.16425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44365	0.7
52.94257	0.6
53.03939	2.8
55.01871	1.6
55.05523	1.1
57.03443	8.7
57.61832	0.7
65.03935	2.5
67.05511	0.9
68.99795	2.2
69.03082	0.9
69.03436	13.1
69.94287	4.2
70.06597	1.2
71.04992	1.8
72.08156	0.9
73.02892	1.6
79.05490	1.1
81.03413	10.8
81.07089	0.9
85.02907	15.0
85.53500	0.7
86.01274	0.8
87.00813	1.8
89.00636	0.9
91.05486	60.5
97.02904	17.9
99.04452	5.4
101.02386	42.8
101.93417	0.9
105.07053	1.5
108.04494	1.6
109.02890	12.8
115.03969	0.9
117.07014	0.9
117.52444	0.7
119.03423	100.0
120.03733	0.9
126.05495	1.2
127.03920	21.8
127.04809	1.5
131.03404	3.3
137.05981	6.9
138.06334	4.2
145.04961	6.9
149.05618	1.1
151.03911	2.5
151.04999	0.8
153.05478	2.2
153.68973	0.8
161.04456	1.9
167.07083	2.6
168.07382	1.1
173.04463	5.5
175.07547	0.9
177.05513	0.9
181.04944	3.7
182.05324	2.1
191.07065	2.4
192.07417	1.8
199.07549	0.9
203.05457	0.8
209.08171	0.9
227.05585	2.2
234.68100	1.0
245.06551	8.9
263.07736	2.0
266.08759	0.8
388.14923	4.4
389.16049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
60.04534	16.4
61.04051	20.1
65.03961	2.2
65.66652	1.9
67.05508	21.8
69.03439	6.4
70.06593	13.3
70.70634	1.9
71.05003	2.5
71.14312	4.5
72.08150	4.2
80.05022	3.7
80.28777	1.7
81.03433	9.4
81.12231	1.7
84.04506	4.0
84.08143	6.4
85.02908	9.7
86.09688	2.1
89.06052	10.9
91.05456	1.9
93.07066	2.1
95.04967	14.9
97.02909	12.4
98.06026	3.1
99.04432	2.2
103.05074	2.1
108.04485	28.5
109.02856	9.7
110.06086	2.9
110.07169	2.6
112.08790	2.5
114.05573	2.1
114.68491	1.7
120.04515	2.2
122.06002	3.4
123.04443	3.1
124.07562	3.8
126.05545	9.3
127.03908	9.2
129.06592	2.6
133.08650	2.6
138.05508	79.1
139.76074	1.8
140.07027	2.7
144.06493	1.7
147.04440	2.8
149.05954	1.8
151.05080	3.2
151.09662	7.6
152.03415	2.7
163.03966	2.5
166.05006	100.0
178.61017	1.8
184.06102	9.6
187.91225	1.8
198.07504	2.4
198.12366	2.1
208.13927	1.7
209.13872	17.4
226.07173	2.2
226.10739	3.0
239.72678	2.0
241.10767	1.9
254.13742	4.1
290.67001	1.7
309.10788	3.5
310.09216	6.9
327.11951	3.4
328.10672	1.9
329.11798	1.7
342.15649	3.8
388.27435	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	387.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
54.51301	1.5
55.01872	4.0
55.05516	19.7
57.03425	1.5
57.07066	6.9
65.03944	2.0
67.05511	34.4
69.03400	4.3
69.07072	33.6
71.05002	16.3
71.08626	2.2
71.56745	3.0
79.05491	25.5
81.03412	6.8
81.07063	81.0
82.07390	1.7
83.04976	2.0
83.08636	13.3
84.93567	1.6
85.06550	91.3
91.05067	1.6
91.05495	20.3
93.07052	43.9
95.04961	2.8
95.08612	100.0
96.08940	2.1
97.02870	3.8
97.06520	8.7
97.10194	8.5
105.07037	20.4
107.08599	47.6
108.08927	3.0
109.06533	4.4
109.09466	2.9
109.10160	42.5
111.04454	3.1
111.08058	5.3
111.11723	4.9
117.07012	7.0
119.08589	16.5
121.06483	2.3
121.10155	30.8
123.04468	3.9
123.11710	22.9
129.07016	4.2
131.08627	8.3
133.06497	2.7
133.10112	9.8
135.11719	24.2
136.12085	2.1
137.05957	2.6
137.13246	14.2
142.15359	1.9
143.08588	3.3
145.06519	3.2
145.10138	6.0
147.08020	2.7
147.11693	8.1
149.13268	23.4
151.14835	3.5
155.08524	1.9
157.10159	4.1
159.11707	3.6
161.09485	2.0
161.13297	4.0
163.14841	20.7
169.04900	2.3
169.10158	2.3
171.11728	3.6
173.13181	2.2
175.14832	2.7
177.16321	3.7
181.15881	6.4
185.09535	2.2
191.17891	4.2
193.15909	3.0
193.19487	1.9
205.19514	2.8
341.24615	4.0
351.23273	3.8
369.24319	16.6
387.15891	2.2
387.25269	24.3
387.30432	2.4
387.31754	2.1
387.36212	11.0
388.25623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.253
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
53.03942	5.3
55.01868	5.8
55.05515	19.7
57.03440	3.7
57.07077	2.0
65.03942	2.0
67.05172	1.9
67.05510	29.9
69.03433	7.8
69.07073	15.8
70.06584	4.4
71.04988	3.9
71.55906	1.7
78.72234	1.2
79.05496	25.9
81.03414	20.0
81.07061	27.6
83.04981	6.0
83.08640	8.3
85.02908	2.4
85.06548	1.7
87.04443	1.2
91.05482	31.6
91.13866	1.2
93.07049	26.0
95.01349	2.8
95.04980	9.9
95.08611	23.3
97.02879	6.8
97.06530	3.5
97.10178	3.2
99.04448	3.4
103.05466	2.7
105.07030	31.3
107.04953	8.3
107.08597	15.7
109.02872	1.3
109.06516	4.4
109.10173	10.2
111.04441	5.9
113.06016	1.6
115.05474	4.0
115.08694	5.1
117.07026	25.5
119.04900	1.5
119.08583	23.4
121.06497	4.8
121.10137	11.9
123.04460	9.3
123.08086	2.3
123.11739	1.4
125.09660	1.4
128.06236	7.7
129.07004	21.8
130.07835	2.0
131.04926	2.7
131.08577	27.8
133.06459	6.6
133.10138	16.6
135.08066	5.0
135.11740	6.3
137.05948	2.7
137.09636	2.2
141.06979	7.7
142.07756	4.6
143.08562	23.2
145.06441	6.4
145.10130	22.7
147.08060	7.8
147.11670	10.6
149.06012	2.5
149.09625	3.0
149.13258	2.8
151.07484	3.0
153.06998	2.5
154.07759	2.3
155.08551	11.1
156.09351	2.9
157.06549	6.2
157.10139	14.3
159.08040	7.5
159.11726	12.7
161.05981	4.2
161.09602	5.8
161.13290	4.9
163.11171	2.1
163.33527	1.2
165.09148	2.2
167.08592	5.0
168.09303	1.7
169.06461	1.7
169.10178	11.5
171.08006	7.3
171.11697	14.9
173.05936	1.5
173.09619	5.9
173.13251	9.4
175.07533	4.1
175.11232	3.6
177.09137	1.6
181.10150	3.9
183.08064	4.8
183.11661	8.0
184.08850	2.0
185.09637	4.9
185.13246	8.4
187.07605	2.5
187.11182	4.5
187.14825	5.2
189.09097	4.1
189.12769	3.0
193.10112	2.9
193.12326	1.5
195.11679	4.9
197.09662	3.2
197.13275	4.9
199.11229	5.0
199.14833	5.4
201.09169	1.5
201.12708	3.4
203.10658	2.8
205.12280	1.7
207.11711	2.4
209.13206	3.8
211.11194	4.0
211.14825	3.1
213.12717	3.6
213.16406	2.7
214.44142	1.4
215.14371	2.0
217.12210	1.9
221.13400	1.8
223.14824	2.5
225.12749	3.7
225.16418	1.7
227.14307	3.2
229.12256	1.6
230.10628	1.5
231.13739	2.3
237.16402	1.6
239.14421	2.6
243.13861	3.0
249.16383	1.7
255.17662	2.1
257.15442	1.5
259.20679	1.5
271.17111	1.5
271.20490	2.0
277.21643	3.4
283.20514	2.7
289.21677	3.4
291.23404	1.5
297.22015	3.2
299.16611	1.7
299.19983	1.9
301.21542	2.6
303.23251	2.9
309.22202	2.6
311.20041	1.3
313.21533	3.3
315.23151	2.5
323.23703	4.9
325.21671	1.6
327.23163	7.2
330.78271	1.3
333.22000	1.8
341.24820	13.0
343.22778	1.6
345.24121	1.7
351.23160	15.5
359.25867	3.6
362.74631	1.3
369.24258	75.8
387.25293	100.0
388.25992	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	387.2531
Annotation	Atranone E
Peak:m/z	Relative Intensity
53.03939	2.9
55.01875	6.1
55.05271	1.3
55.05514	17.5
57.03431	3.4
57.07057	2.7
58.74833	1.2
59.39590	1.3
64.26886	1.3
65.03938	3.0
66.56959	1.1
67.05170	2.0
67.05508	27.2
69.03420	6.5
69.06723	1.4
69.07072	14.3
70.06596	3.8
71.01340	1.5
71.04983	3.9
71.55431	1.4
74.85558	1.1
79.05054	2.1
79.05493	27.6
81.03424	15.7
81.07063	34.3
83.04999	6.8
83.05397	1.1
83.08628	7.9
83.19984	1.1
85.02905	3.7
85.06552	1.5
91.05488	29.5
91.91316	1.4
93.06485	1.5
93.07055	27.2
95.01337	2.4
95.04974	13.1
95.08058	1.7
95.08618	20.6
97.02873	5.9
97.06532	4.1
97.10162	3.6
99.04459	2.3
103.05479	2.5
105.06394	2.1
105.07043	29.5
107.04936	6.7
107.08591	16.3
109.02847	2.6
109.06516	4.7
109.10172	7.5
111.04440	6.7
111.08100	1.6
115.05476	3.6
115.08688	5.0
117.07023	27.3
119.08582	20.3
121.06510	6.4
121.10151	9.1
123.04437	9.5
123.08080	3.9
123.11712	2.1
125.09614	2.5
128.06212	7.9
129.07021	22.7
131.04903	2.3
131.08575	28.7
133.06485	5.6
133.10136	14.9
135.08038	4.9
135.11687	4.7
137.05980	2.7
137.09583	1.5
141.06989	7.7
142.07774	4.8
143.08553	21.4
144.09308	2.7
144.11414	1.2
145.06483	8.8
145.07463	1.4
145.10135	19.8
147.04390	1.8
147.08070	8.3
147.11685	9.4
149.06033	2.4
149.09625	4.6
149.13251	3.3
151.07549	3.5
153.05586	1.2
153.06940	3.2
154.04396	1.2
154.07738	1.6
155.08543	10.4
156.09308	2.5
157.06587	7.1
157.10127	14.7
158.07280	1.8
159.08075	7.8
159.11688	13.2
161.05992	3.3
161.09636	4.6
161.13242	5.1
163.07538	1.9
163.11177	2.1
165.06979	2.2
165.09091	1.8
167.08569	5.7
168.09349	2.2
169.10106	10.9
171.08046	9.7
171.11705	13.4
173.09618	6.4
173.13278	10.2
175.07565	5.0
175.11246	3.1
179.08594	3.8
181.10118	5.8
183.08099	5.4
183.11728	8.3
184.08815	1.5
185.09593	8.4
185.13283	8.0
187.07555	3.7
187.11179	3.6
187.14825	3.6
189.09076	2.6
189.12846	2.6
193.10147	1.7
195.11717	3.5
197.09615	5.0
197.13278	5.5
197.98013	1.1
199.11188	4.0
199.14795	6.2
201.09212	2.3
201.12685	4.1
203.10638	3.0
205.12274	1.4
207.11751	1.6
209.13266	5.3
211.11172	4.5
211.14801	3.9
213.12746	5.4
213.16280	3.3
215.10915	1.9
215.14288	2.4
217.12280	2.8
221.13362	2.0
223.14803	2.0
225.12775	1.7
225.16408	2.0
227.14328	5.3
229.12212	1.9
229.16032	1.5
231.13739	1.6
237.16510	1.9
239.14322	2.8
243.13959	1.8
257.15421	2.6
259.20547	1.7
273.22177	1.7
275.19925	1.8
277.21674	4.3
283.20697	2.8
285.22095	1.7
287.19971	1.7
289.21414	2.4
297.22064	1.7
299.16602	1.9
299.23758	2.2
301.21677	3.2
303.23105	1.6
309.22171	2.3
313.18121	1.8
313.21716	3.9
323.23792	4.1
325.21567	2.1
327.19672	2.0
327.23093	7.6
331.22720	1.6
333.22195	3.1
341.24722	12.2
343.22574	1.8
345.24655	1.7
351.23172	16.0
357.24100	1.7
359.25708	2.5
369.24249	66.8
370.24594	1.7
387.25305	100.0
388.25494	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	387.2531
Annotation	Atranone E
Peak:m/z	Relative Intensity
50.34496	0.8
53.03943	3.3
55.01630	1.0
55.01876	6.9
55.05271	0.9
55.05516	14.8
57.03428	2.8
57.07069	2.0
60.02666	0.8
65.03937	3.1
66.01379	0.9
67.05508	27.5
69.03429	7.3
69.06731	1.1
69.07074	13.6
71.00571	1.2
71.00896	1.2
71.04988	3.0
73.06488	0.9
79.05497	20.9
81.03423	16.1
81.07066	25.3
83.04975	6.5
83.08629	7.5
85.02906	3.4
85.06536	1.4
91.05489	27.9
93.07052	24.2
95.01332	2.1
95.04980	10.1
95.08614	19.3
97.02899	6.9
97.06530	3.9
97.10173	2.6
99.04444	2.5
99.08092	2.5
103.05470	2.2
105.07038	29.2
107.04964	7.6
107.08604	16.2
107.73072	0.8
109.02870	3.0
109.06519	2.7
109.10175	8.3
111.04449	7.3
111.08047	1.2
115.05460	5.0
117.07031	20.3
118.51511	1.0
119.04920	1.1
119.08587	19.9
121.06529	5.4
121.10159	9.2
123.04451	8.6
123.08051	2.2
123.11707	2.0
125.06011	1.7
125.09647	1.9
128.06224	7.5
129.07022	20.2
130.07793	2.1
131.04956	2.7
131.08591	25.2
133.05237	1.1
133.06493	7.7
133.10149	14.2
135.04381	2.2
135.08084	4.3
135.11713	5.4
137.05977	2.0
137.09616	1.9
141.07025	5.9
142.07762	5.8
143.08572	20.3
145.06505	6.8
145.10144	21.3
147.08058	7.6
147.11719	7.6
149.04776	1.5
149.06004	2.9
149.09631	2.8
149.13300	2.4
151.07584	2.0
152.06113	1.0
153.07011	2.2
153.09093	1.4
154.07796	1.4
155.08571	8.9
156.09360	1.8
157.06573	4.6
157.10144	15.2
158.07262	2.1
159.08066	6.5
159.11728	14.2
161.05986	3.3
161.09628	4.7
161.13243	4.4
163.06294	4.1
163.07539	2.4
163.11247	1.6
164.07170	1.9
165.07014	2.6
165.09082	1.5
166.07822	1.9
167.08606	4.5
168.09340	1.5
169.06447	2.0
169.10123	10.7
170.07227	2.0
171.08061	6.9
171.11702	12.5
173.06035	1.1
173.09651	4.9
173.13266	9.3
175.07643	4.4
175.11237	3.5
175.14868	2.4
177.09135	1.7
177.12785	1.0
179.08606	1.8
181.10153	5.1
183.08075	3.0
183.11708	8.0
184.08836	1.1
185.09624	7.4
185.13268	10.4
187.07600	2.2
187.11200	6.0
187.14873	4.0
189.09105	3.0
189.12691	2.7
191.10675	2.1
193.10159	2.5
194.08148	2.1
194.10727	1.1
195.11668	4.4
197.09599	4.4
197.13295	5.1
199.11165	5.0
199.14879	6.0
201.09114	2.0
201.12758	3.3
201.16458	1.0
203.10687	2.9
203.14362	1.8
205.12291	1.6
207.11668	1.4
209.13184	4.5
211.11201	2.5
211.14830	3.2
213.12776	5.0
213.16397	2.8
215.10658	1.0
215.14400	2.9
217.12277	2.3
221.13255	2.4
223.14835	2.5
225.12727	2.6
225.16571	1.1
227.14299	3.9
229.12354	1.6
229.15865	1.6
231.13817	1.6
239.14349	2.4
241.15794	1.3
243.13943	1.6
249.16327	1.3
253.16040	1.6
253.19460	1.4
259.20514	1.9
265.19415	1.2
269.18839	1.0
271.16895	1.5
275.19852	1.4
277.21619	3.9
283.20657	1.6
285.22141	1.9
287.20181	1.4
289.21732	2.9
297.22180	1.9
299.16855	1.1
299.20197	1.9
299.23596	1.4
301.21661	2.8
303.23141	2.0
309.22070	2.1
313.18320	1.3
313.21741	4.8
313.24875	1.2
315.23239	3.6
317.24792	1.7
323.23776	3.1
325.21280	1.1
327.19620	2.1
327.23105	9.0
331.22891	1.1
333.22162	3.0
341.24783	13.6
343.22662	2.0
345.24167	1.4
351.23203	17.0
351.27109	1.4
352.23468	1.1
357.24161	1.9
359.25821	3.6
369.24271	63.8
370.24493	2.3
387.25323	100.0
388.25604	4.3
389.50903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
53.03950	1.1
54.56685	0.9
55.01873	2.5
55.05514	1.9
57.03429	2.4
57.05839	0.7
59.05000	0.8
61.02917	2.6
62.36755	0.8
65.03954	0.9
67.05505	4.2
69.03433	11.2
70.06596	6.5
71.04974	2.3
71.21841	1.6
72.08158	4.3
73.01189	0.7
77.73143	0.7
79.05494	4.3
81.03420	3.2
81.07067	4.1
83.04990	3.8
84.04496	1.6
84.08161	2.4
85.02902	15.6
86.09705	3.9
87.04459	2.2
91.05482	4.2
93.07034	3.7
95.04969	100.0
95.08596	5.0
96.05295	1.0
97.02898	9.7
97.06540	1.3
99.04455	3.0
105.07027	4.3
107.05005	1.2
107.08628	4.2
109.02875	2.4
109.06530	9.4
109.10152	3.1
112.11284	0.7
113.06030	2.3
115.03936	9.9
115.05505	1.3
115.07546	1.4
117.07025	3.8
119.08561	2.2
121.10111	2.0
121.19248	0.8
123.08038	4.0
127.03915	2.6
131.04916	1.1
131.08537	1.7
133.10143	2.6
135.08061	5.3
136.07570	1.2
137.05919	0.9
137.09605	1.3
139.07491	1.1
145.04977	2.4
145.10150	1.1
147.11714	1.7
149.06012	1.0
149.09633	4.6
151.07552	10.7
153.09113	2.8
160.10226	0.7
161.13245	2.2
163.03951	1.1
163.14674	0.9
164.07059	1.2
165.12817	1.5
167.07040	3.1
169.08609	31.6
171.11708	2.4
173.13235	0.9
177.12769	0.9
189.12691	2.8
191.08568	1.6
191.14333	1.7
193.03273	0.9
195.07997	1.0
195.13780	1.2
207.13832	10.8
209.15341	8.9
219.08020	2.1
225.14847	34.4
236.10719	1.9
238.12148	0.7
253.13376	3.4
254.11629	1.2
267.42755	0.8
282.11301	2.4
291.22595	0.9
295.14337	0.9
299.13867	3.4
306.91156	1.0
324.12488	1.1
341.14951	3.4
345.14407	1.2
387.12070	1.3
387.16843	1.5
387.23303	1.7
387.90125	0.9
410.60208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05503	0.8
57.03419	0.8
61.02914	1.7
67.05512	1.1
67.05885	0.6
67.77180	0.7
69.03135	0.7
69.03431	8.1
69.07063	1.3
70.02020	3.3
71.04993	1.1
79.05489	1.2
79.30762	0.6
81.03404	2.4
81.07038	1.7
83.04967	1.3
83.51771	0.7
85.02902	9.4
91.05479	2.1
93.07034	2.7
95.04971	6.7
95.08641	1.0
97.02909	2.8
99.04460	5.5
105.07032	2.0
107.08596	1.9
109.02883	1.4
109.06525	15.5
109.10165	1.4
111.04436	1.0
119.08581	1.5
121.06477	0.8
121.10142	2.1
123.08131	1.2
127.03911	1.8
135.08067	1.1
135.11682	1.7
137.06036	1.0
147.11700	1.9
149.09624	100.0
150.09889	1.2
151.07587	1.1
153.09109	1.5
161.13283	0.9
163.11154	0.8
167.07069	2.9
167.10706	1.4
189.12810	2.5
207.13803	23.1
225.14847	6.4
381.90714	0.9
387.15891	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
52.60207	1.2
53.03942	1.5
55.01863	1.5
55.05511	1.9
57.03425	2.9
61.02916	2.6
65.03933	1.4
67.05495	4.4
69.03436	8.4
69.07056	2.3
70.06609	1.9
70.34335	2.3
70.34663	1.6
71.04991	3.3
72.08145	2.6
79.05483	2.7
81.03414	4.0
81.07040	4.0
83.04990	3.5
84.08129	2.6
85.02898	17.8
86.09689	3.4
91.03973	1.2
91.05497	1.9
93.07042	3.7
95.04975	100.0
95.08588	1.7
97.02875	6.5
99.04471	8.4
105.07036	4.1
107.08604	6.2
109.02892	2.9
109.06536	4.1
109.10146	3.7
111.08070	1.6
115.03922	1.5
117.07054	1.7
119.08567	4.2
121.10139	5.8
123.04417	1.6
123.08055	2.5
123.11684	2.0
127.03915	5.5
131.08585	1.6
133.10123	1.6
135.08116	2.7
137.05968	1.5
137.09637	2.4
141.09160	1.3
145.04967	2.2
145.10103	1.7
147.11636	6.5
149.06044	1.7
149.09622	6.6
151.07555	2.4
153.09106	34.6
158.24222	1.2
161.13242	3.2
163.11221	3.4
165.12735	1.9
167.03107	1.2
167.07054	19.7
189.12738	4.3
193.08577	1.3
207.13782	12.2
225.14850	16.5
294.17621	1.3
387.16089	5.4
387.20743	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	387.2016
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
51.79461	8.8
52.63508	10.7
57.03437	12.2
59.04987	9.7
61.02909	10.9
61.04046	23.7
67.05506	17.4
69.03425	33.2
69.07095	13.5
69.46941	79.3
70.06608	47.1
72.08160	69.1
79.05504	19.8
81.03420	15.2
81.07076	30.5
83.06100	15.4
83.08635	10.0
84.04482	12.5
84.08150	17.5
85.02904	35.7
85.06577	10.3
86.09692	44.8
91.05482	18.0
93.07045	31.1
95.04976	17.4
95.08618	20.7
97.02877	14.6
99.04459	13.4
105.07023	31.9
107.08617	54.1
109.02862	11.4
109.06528	20.1
109.10133	16.5
110.07188	66.9
111.07504	19.7
119.08598	38.4
121.10143	18.6
123.08083	30.9
127.03954	21.5
131.08588	12.7
133.10138	21.9
135.11690	26.7
137.05984	16.4
137.09634	100.0
145.04883	10.8
146.64185	10.2
147.04343	10.4
147.11671	17.7
149.09648	22.1
151.07549	34.4
156.07745	12.8
161.13330	17.5
163.11188	13.7
167.07030	16.3
169.09726	13.6
189.12704	17.6
207.13890	47.7
225.14923	29.8
242.29117	10.2
244.29416	9.6
258.58771	10.4
268.65906	10.8
323.21689	20.3
352.21097	29.8
369.23853	55.7
387.19125	21.0
387.23932	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	387.1551
Annotation	GS-1
Peak:m/z	Relative Intensity
69.03416	3.0
69.84361	0.9
70.06590	2.5
71.28789	1.9
72.08147	2.7
73.02917	1.7
79.50081	1.0
80.64524	1.0
81.03396	1.0
81.07049	0.9
84.08173	1.2
85.02901	7.6
86.09684	1.8
97.02882	3.7
100.07581	1.1
106.32918	0.9
109.02832	0.9
109.06509	1.6
109.10052	1.1
115.03962	1.0
116.07063	1.1
124.03905	1.1
127.03947	2.1
145.04935	1.9
147.11760	1.2
149.09613	9.7
153.06952	1.2
156.60834	0.9
165.07008	4.3
167.07094	2.5
167.08545	14.1
171.08070	2.2
177.07005	5.0
178.07762	5.4
179.07103	1.2
179.08580	4.0
181.10149	2.0
183.07980	1.8
184.44897	0.9
190.07841	1.2
191.08560	34.7
193.06480	1.1
193.10167	5.9
194.07320	2.8
194.09726	1.0
195.08052	14.0
197.09747	1.2
201.06905	1.7
202.07794	3.9
203.08606	5.8
205.06361	2.0
206.07297	1.1
207.08076	2.7
207.13763	4.4
208.08875	3.4
208.11183	1.0
209.09624	4.8
212.10704	4.0
217.08829	1.3
218.07240	2.0
218.09618	1.6
219.05934	2.0
219.08058	39.5
220.08565	1.8
221.09657	10.9
222.09198	1.4
223.07562	8.0
224.10779	2.2
225.09161	3.4
227.06990	2.7
229.07655	3.6
235.09900	1.2
236.10707	36.9
237.09096	3.5
238.12254	20.7
240.10176	25.8
247.07568	1.9
251.07129	1.8
253.13356	96.0
254.11719	19.1
254.13872	1.4
264.10242	3.7
265.08585	11.0
267.10217	1.5
269.08057	4.1
278.11877	1.9
282.11237	45.3
283.11636	1.8
286.10858	2.1
293.08212	1.0
295.14386	24.1
299.13901	73.7
300.12347	4.3
323.13751	2.6
324.12378	6.1
327.13376	1.3
328.11801	15.0
341.14960	100.0
342.12796	5.0
345.14468	28.0
346.12790	1.2
370.12845	2.8
387.15768	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	387.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	15.6
55.05498	15.1
57.03417	11.7
60.83010	9.5
61.02933	12.1
61.04042	39.3
67.05492	32.5
69.03424	34.8
70.06586	37.2
71.04999	12.0
72.08151	35.0
73.02892	9.7
79.05514	22.8
81.03418	16.6
81.07048	18.1
83.04955	14.6
83.06091	17.7
84.04496	13.6
84.08128	18.5
85.02917	57.4
85.06526	18.7
86.09730	45.6
91.05475	36.4
93.04523	24.6
93.07050	20.0
95.04988	24.3
95.06077	18.4
95.08614	77.3
96.06296	8.6
97.02914	27.0
99.04445	19.2
105.07056	31.5
107.04951	14.9
107.08578	19.9
110.07182	92.0
111.05544	10.8
111.07486	31.7
119.04890	12.6
119.08600	22.3
121.10151	19.2
123.07222	8.7
123.08078	48.7
123.11747	14.8
133.06505	10.9
133.10188	11.1
135.11710	10.6
137.09616	11.3
145.05016	17.5
147.04376	12.5
147.11739	23.4
149.09625	20.4
151.07539	21.6
156.07724	17.6
163.11122	18.4
165.12737	10.4
167.07024	33.0
171.11743	11.7
175.04042	10.7
179.07065	14.7
189.12766	25.2
207.06546	27.2
207.13779	100.0
225.14825	18.6
226.10863	16.1
229.39851	11.9
236.10834	19.0
253.13467	18.1
271.16663	10.5
309.90683	11.1
323.21643	16.3
341.15042	23.5
369.22470	51.0
387.15503	18.2
387.23404	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	Kenusanone D
Peak:m/z	Relative Intensity
55.05505	1.1
67.05492	2.8
69.03439	0.9
71.05002	1.1
71.56031	1.1
79.05491	2.3
81.07052	2.1
83.08627	0.8
91.05498	1.5
93.07027	1.2
95.04966	2.0
95.08611	2.0
97.02820	0.9
97.06551	0.9
102.67858	1.1
105.07063	1.7
107.08587	1.6
110.03704	1.3
121.10115	1.2
123.04406	0.9
125.06004	1.2
131.08589	1.3
137.05994	1.6
138.03125	6.6
153.05472	100.0
159.11708	1.2
165.01773	4.6
167.07146	1.2
169.18018	0.9
179.03398	2.6
183.02956	2.6
191.03433	5.0
200.67439	1.0
256.45660	1.0
270.05307	1.6
285.07474	1.5
286.96176	0.9
298.04718	1.4
313.07056	36.3
331.08130	45.4
332.08853	1.1
358.74918	0.9
369.13434	1.7
387.14334	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.0
57.50274	1.2
59.78430	1.2
60.06813	1.2
67.31921	1.6
69.03423	5.5
70.06588	6.2
70.88783	2.2
72.08167	6.6
73.02914	3.7
81.03444	2.2
84.04536	1.5
85.02923	8.1
86.09705	2.8
91.05484	2.2
93.07044	1.1
95.04934	3.3
97.02878	4.8
99.04463	1.7
105.07030	1.7
106.03014	1.3
109.06512	2.0
110.56956	1.4
115.03972	1.6
116.07111	2.7
119.08565	1.7
120.18027	1.3
127.03892	2.1
133.10080	2.0
135.47145	1.4
137.09569	1.3
145.04951	2.5
149.09621	9.8
165.06972	3.8
167.03438	1.5
167.07060	4.3
167.08560	14.7
177.06969	5.4
178.07729	6.1
179.08545	3.4
181.10164	1.9
182.11690	1.4
191.06909	2.2
191.08572	35.8
193.06415	1.7
193.10143	7.7
194.07217	1.4
195.08073	13.0
197.09543	1.9
201.07053	2.2
202.07776	4.2
203.08527	4.6
205.06413	2.7
207.08073	3.4
207.13826	5.0
208.08818	4.0
209.09650	5.6
210.09123	1.9
212.10715	4.2
217.08871	2.2
218.07422	2.8
218.09621	2.2
219.08084	36.4
221.09695	9.3
223.07544	6.3
224.10771	2.7
225.09079	4.3
225.14668	1.5
227.06993	2.4
229.07631	3.9
236.10695	37.3
237.09088	3.8
237.11194	1.8
238.12277	22.1
240.10202	26.8
243.58415	1.2
247.07596	2.6
251.06973	2.1
253.13373	94.7
254.11685	18.0
254.13773	1.6
264.10187	4.0
265.08582	8.6
267.10168	2.0
269.08160	3.1
278.11774	1.9
282.11243	44.9
284.12689	1.6
286.10641	2.3
295.14417	25.7
296.12692	1.5
299.13901	62.6
300.12201	4.1
324.12271	8.1
328.11771	14.6
341.14978	100.0
342.13071	2.8
343.13577	1.8
343.54672	1.5
345.14465	24.1
370.12744	4.0
387.16101	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	387.1438
Annotation	Kenusanone D
Peak:m/z	Relative Intensity
53.03949	0.9
55.01893	0.8
55.05513	2.3
61.09468	0.4
65.03919	1.1
67.05507	4.0
69.03421	0.9
69.07066	1.6
73.58377	0.4
79.05503	4.7
81.03424	3.9
81.07070	4.4
83.04972	0.7
83.08633	1.0
91.04999	0.6
91.05475	3.2
92.98727	0.5
93.07037	3.1
95.04968	1.7
95.08608	1.6
97.02904	0.8
97.06537	0.5
97.10164	0.5
103.05488	0.8
105.07054	3.7
107.04971	1.4
107.08614	1.0
109.06479	0.5
109.10168	1.8
115.05419	0.8
117.07097	0.6
119.08577	1.6
121.10152	2.8
125.05978	1.5
129.07027	1.0
131.08582	1.7
133.10155	1.8
135.04442	0.9
137.05962	2.6
138.03145	6.6
139.04054	0.5
141.01909	0.5
141.06892	0.6
143.04977	0.6
145.06499	0.9
147.04427	0.9
147.11687	1.4
149.06058	0.7
149.09627	1.6
153.05482	100.0
154.05829	1.1
157.06467	0.9
157.10104	0.7
159.04475	1.8
161.02373	1.4
161.09583	0.5
163.03943	4.4
165.01848	3.7
165.12746	0.5
167.07056	1.2
171.04451	0.5
173.02313	2.2
173.05949	0.9
175.03963	0.8
175.07594	0.6
175.11177	0.7
179.03403	3.0
181.05045	0.8
183.02899	1.8
183.04391	0.7
185.05971	1.0
187.03931	2.6
191.03413	5.2
193.12250	1.2
199.03920	1.9
201.05522	1.2
213.05446	2.9
217.05026	0.7
221.11757	0.5
225.05557	0.8
253.04974	0.9
267.13864	3.9
270.05341	1.4
283.13330	0.9
285.07596	1.8
293.11774	1.3
298.04755	2.0
311.12891	2.9
311.16013	0.7
313.07089	33.4
313.21680	0.5
314.07443	0.7
315.08597	0.7
327.15839	1.0
331.08163	38.2
331.11530	1.6
332.08392	1.1
337.14313	1.7
355.15427	4.5
369.13336	1.4
369.24280	0.6
387.14362	5.6
387.25409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
50.01529	0.6
53.68459	0.5
55.01860	1.6
55.05496	1.3
56.84966	0.5
65.03930	2.2
66.04704	0.9
67.05494	2.6
68.99776	0.9
69.03423	1.3
69.07052	0.9
70.46613	0.6
70.46976	1.8
71.04987	0.8
71.91467	0.6
72.08152	1.2
77.03897	0.6
78.04723	0.8
79.05508	3.4
81.03394	1.4
81.07047	2.0
82.04214	0.6
84.19274	0.6
85.02892	2.0
91.05484	4.3
93.07031	1.4
94.04208	2.8
95.04972	2.0
95.08630	1.2
97.02898	0.6
97.06550	1.4
99.04417	0.7
103.05464	4.2
105.03402	1.9
105.07066	2.8
107.04957	3.8
107.08609	1.7
108.02120	0.9
109.02880	1.9
109.06512	1.1
109.10137	0.9
110.03632	0.7
111.04429	0.8
114.03749	0.7
115.05470	2.5
117.06995	3.1
119.04908	1.2
119.08601	2.4
121.10142	0.8
122.03651	8.6
123.04411	2.5
124.05247	0.7
125.06006	1.5
125.09572	0.6
129.07013	1.5
131.04948	3.7
131.08597	0.8
133.02890	1.8
133.06506	1.4
133.10184	0.9
135.04434	1.6
135.08090	1.2
137.05984	100.0
138.03099	3.3
138.06346	1.3
139.03844	0.8
141.05479	1.1
142.02676	0.9
143.04935	4.0
143.08586	1.0
145.06497	3.5
145.10109	1.6
147.04416	1.4
147.08072	3.0
148.05180	2.0
149.05983	1.1
151.03920	12.4
151.05064	0.9
152.04715	0.9
153.05475	36.6
154.05739	0.8
155.06029	1.2
155.08592	1.4
157.06476	0.6
159.08072	0.8
160.05182	0.9
161.06000	1.8
163.03867	1.3
163.07553	3.0
165.05469	1.6
167.07048	23.4
169.04959	2.0
171.11716	0.9
173.06026	4.6
173.09595	1.8
175.07542	3.6
177.05557	1.5
177.09103	2.7
179.03397	0.7
179.07068	0.8
181.04958	25.9
183.08061	0.8
191.07031	13.2
193.05139	0.7
193.08633	0.6
195.06523	0.7
201.05527	1.2
201.09151	6.0
203.07027	3.3
205.06728	0.7
205.08626	2.4
207.06493	0.6
215.06981	1.0
217.08571	0.6
219.10225	1.0
221.08096	2.0
229.08607	2.4
233.08080	1.4
235.09697	2.3
235.17047	0.6
252.07584	0.6
253.08836	0.7
265.08841	0.9
267.10052	0.7
275.07089	0.8
293.08191	1.2
304.07394	0.8
307.09595	0.7
313.06992	1.3
321.07520	0.9
327.12775	0.6
331.08102	1.3
336.09894	0.9
337.10684	2.5
339.12390	1.1
341.13934	2.3
351.12311	4.1
355.11877	1.8
357.13394	12.5
357.17603	1.1
369.13388	11.7
387.14456	35.6
388.14908	1.1
413.61996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25057	0.9
54.70136	1.0
55.05508	2.0
56.05018	2.4
57.03433	1.4
57.32705	1.1
63.51245	1.2
69.03416	5.2
70.02969	1.2
70.06600	7.6
71.04995	1.3
71.53852	2.0
72.08151	5.9
74.02447	15.9
77.36558	1.3
79.05503	1.4
81.03407	3.1
81.04539	3.9
81.07045	1.6
83.04964	1.6
84.04527	2.6
84.08127	3.2
85.02917	9.7
86.09697	1.9
88.02237	1.5
88.03976	5.2
91.05473	2.7
91.46545	1.0
92.05013	4.0
95.04985	3.3
97.02879	5.1
99.04444	1.4
100.86147	1.3
103.05498	1.3
105.07027	1.2
106.01102	1.3
107.04948	1.5
108.04487	1.9
109.02902	1.8
110.06046	100.0
111.04425	1.6
112.07560	1.6
113.03477	1.6
116.03425	2.4
116.07047	1.6
119.04900	2.4
121.06505	1.1
122.06007	1.2
124.03967	1.3
124.90316	1.1
127.05027	2.1
134.05997	5.3
136.03909	1.6
138.53278	1.2
140.07063	1.7
147.04346	2.0
149.09631	3.1
151.02078	1.9
152.03769	1.7
152.07115	1.7
161.07144	8.3
162.01331	1.6
163.03871	1.8
167.01866	1.1
167.03375	3.7
167.07111	7.5
167.08359	1.7
175.03854	1.9
179.01642	3.6
179.08168	9.6
179.11807	5.0
190.00793	2.6
190.05061	1.5
191.06964	1.4
191.08597	1.4
192.06525	5.1
194.04471	1.6
194.07945	1.7
207.07539	10.6
207.09264	2.3
208.01775	2.3
211.04202	1.7
219.08090	2.1
223.04233	31.4
225.08743	52.2
225.12241	18.4
242.98485	1.7
253.13373	3.5
254.11729	4.8
256.09418	1.3
267.10101	2.1
292.15961	1.4
297.03207	3.2
299.13803	1.6
300.12152	2.6
341.14911	4.4
387.16171	1.7
404.66876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01870	1.2
57.03426	1.0
58.06580	1.6
59.04996	0.7
61.02912	1.7
69.03127	0.6
69.03434	6.0
70.06584	1.4
71.04877	1.0
72.08158	0.8
73.02912	1.0
79.05480	0.8
81.03400	2.1
85.02905	14.4
87.04453	0.8
91.05480	3.0
93.07029	0.7
97.02897	5.1
99.04437	1.0
103.05457	4.1
104.10754	0.6
105.07029	14.4
107.04953	2.2
109.02883	1.5
117.07047	0.8
118.05943	0.5
118.06561	5.1
119.07295	0.8
120.08110	10.3
121.02882	1.1
121.06485	0.5
121.60237	0.5
122.64201	0.6
123.04399	0.6
127.03936	3.1
127.04726	0.5
128.06233	1.8
130.06497	0.6
130.91780	0.6
131.04927	1.8
131.07310	1.4
131.08562	0.5
132.08057	1.1
136.07504	0.8
138.09190	0.6
143.08557	2.5
145.04951	1.3
147.04420	0.7
160.11223	55.5
161.11600	1.1
163.03951	0.7
164.07104	1.0
165.05396	0.6
165.50067	0.6
167.07063	0.8
178.12279	53.0
179.12630	0.8
206.11761	8.7
224.12819	100.0
225.13141	2.3
246.84261	0.5
248.12720	0.7
266.13953	0.7
272.11301	0.8
350.16013	0.8
386.18082	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	387.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
56.05020	5.7
56.91713	1.2
60.04522	1.5
61.02909	2.4
62.77032	1.1
63.66553	1.2
67.05484	2.4
69.03437	8.6
70.06596	18.6
70.56612	1.2
70.88558	1.5
71.04993	3.4
71.54037	1.8
72.08172	6.6
77.42304	1.1
79.05494	3.5
80.61142	1.3
81.03400	3.4
81.07058	2.7
82.06583	1.5
83.04988	2.5
84.04514	19.8
84.08126	4.3
85.02919	11.0
86.06055	1.7
86.09707	8.3
88.03998	14.8
89.06041	2.1
91.05472	3.8
93.07070	1.6
95.04374	2.0
95.04979	33.4
95.06048	1.3
95.08605	1.5
96.04542	2.5
97.02881	5.8
98.06091	1.9
101.00607	7.3
105.07034	3.8
107.04938	1.5
107.08588	3.0
109.02908	2.2
109.06527	3.2
109.10125	1.8
112.03926	1.9
115.03917	4.5
115.08656	1.3
116.07070	1.7
119.08617	2.3
121.10177	2.2
122.06018	1.7
123.04415	4.0
123.08075	1.8
127.03957	1.9
129.00075	3.5
130.05013	11.7
131.08600	1.7
134.05989	1.7
135.02643	2.5
136.07602	2.3
137.05940	2.0
145.04999	2.4
146.06001	4.8
147.02632	3.8
147.04411	1.9
149.00586	21.8
149.08372	3.7
149.09601	4.5
150.03790	3.6
151.02127	5.4
151.07516	5.3
151.09705	1.7
162.02249	1.8
162.05482	3.2
163.02150	10.6
163.06303	1.5
164.07033	13.1
166.00803	2.1
167.03360	1.7
167.07072	10.3
169.03195	2.0
169.08614	10.3
175.02155	4.5
176.05333	18.8
176.06847	1.8
177.03699	4.5
177.05518	1.5
177.07869	15.7
178.03195	6.6
178.08649	16.3
179.01634	6.7
179.04062	2.1
179.06950	1.5
179.09431	16.4
179.34251	1.6
180.02486	3.6
181.03189	5.1
182.06419	6.6
189.12613	2.4
190.03351	2.0
191.01573	2.7
191.08669	1.5
192.02451	2.1
196.04294	2.6
197.05090	4.9
201.05350	1.5
201.76595	1.5
204.04848	9.3
205.03214	15.8
207.04791	3.2
207.13861	7.4
209.02644	13.1
209.15479	2.9
210.05850	21.0
212.07419	32.7
219.08119	1.9
221.04980	7.3
222.05830	3.6
223.04242	3.4
223.08403	9.4
224.03772	10.9
225.14864	13.3
229.08685	1.4
233.02811	2.0
236.07416	52.1
237.07703	1.5
238.08995	3.2
238.12186	1.5
241.03932	2.0
251.03740	12.0
254.08427	2.6
256.06403	6.1
258.07956	12.3
268.06317	2.0
282.07999	24.4
282.10986	2.7
299.10687	14.4
299.13928	2.3
300.08957	1.6
305.09418	2.4
323.10846	1.7
339.20691	1.5
341.11670	100.0
342.12589	2.1
345.11224	16.1
351.10098	2.0
369.11298	2.0
387.12210	68.2
387.16180	3.1
387.23300	4.3
387.27628	2.8
388.12436	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	386.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76414	0.6
55.53450	0.5
56.96564	0.8
57.03428	0.9
60.08159	1.4
61.02911	0.8
67.05509	0.9
69.03433	4.1
69.49256	1.3
69.49661	2.6
70.06585	2.7
71.04983	0.6
72.08150	2.4
81.03412	1.8
83.05038	0.6
84.08141	1.0
85.02916	6.4
85.06542	1.1
87.04475	0.7
88.03986	6.1
95.05002	0.7
97.02899	2.6
98.97589	1.6
110.07135	1.4
114.05560	0.7
116.98553	0.8
119.04990	0.9
123.04459	1.3
127.03941	1.0
129.10353	0.9
132.08070	2.8
134.00562	0.5
136.06198	2.4
137.05986	5.2
139.03908	1.0
146.99731	0.6
147.04428	1.1
149.06018	0.9
150.09146	0.6
150.93059	0.5
160.07608	5.0
163.06316	0.8
165.05440	1.0
176.07077	12.1
177.00896	0.5
177.78273	0.7
178.08641	100.0
179.09062	1.5
189.05872	1.3
206.08508	0.7
208.05038	0.9
222.07474	1.4
223.96039	0.6
224.09201	81.6
224.11281	4.6
225.09499	2.0
237.02731	0.6
247.44257	0.6
340.13910	3.0
371.79248	0.7
386.14423	71.0
387.14758	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
55.05519	2.3
64.28585	0.9
67.05505	3.3
68.05049	1.0
69.03439	7.7
69.07072	3.9
70.06590	1.7
71.05003	1.3
71.55398	1.2
75.91262	0.8
79.05508	2.6
81.03423	2.0
81.07059	3.1
83.08629	1.2
84.04506	1.1
84.08144	4.3
85.53412	0.8
86.09700	1.4
87.00833	2.9
88.03985	2.6
88.27646	0.8
88.49875	0.9
91.05492	3.3
93.07036	2.1
95.04975	1.4
95.08600	2.0
97.01124	1.9
97.02892	2.0
97.06515	1.4
100.03975	1.2
103.05474	3.6
105.07034	3.5
106.07342	1.1
107.04987	1.8
107.08598	2.7
109.02885	1.0
109.10153	1.8
110.02371	1.1
111.02668	7.4
112.07612	12.8
117.07072	1.4
119.08579	2.3
121.06512	1.2
121.10146	3.3
122.03661	1.6
123.04391	1.7
124.03950	2.0
127.03811	1.2
128.03477	4.8
129.06973	1.4
131.04936	8.3
131.08548	1.1
133.10144	5.5
135.08096	0.9
135.11671	1.8
137.05991	14.2
138.06361	1.1
139.07535	1.0
140.07076	9.6
141.00043	5.5
144.01175	2.8
145.06509	1.6
146.04529	1.0
147.11700	1.2
148.12163	0.8
149.09641	1.1
151.03922	1.9
151.11171	1.2
153.05466	13.6
153.07346	0.9
153.16666	0.8
154.03203	1.0
154.05815	3.6
155.01617	20.1
156.01118	1.9
156.02919	4.8
159.08046	1.0
159.11682	1.2
161.09657	2.6
163.11223	1.0
164.14384	0.9
165.07317	1.5
167.07076	4.4
167.08913	1.7
173.06133	1.2
174.03998	3.7
179.10712	3.9
181.04987	3.4
181.10475	2.4
191.07095	2.1
193.10454	1.0
195.08421	5.6
207.08371	11.0
208.11684	1.0
213.09445	8.0
219.06563	1.7
220.06889	2.3
224.11092	1.1
225.09438	15.7
236.11050	12.7
246.67371	0.8
254.12109	100.0
255.12503	1.8
263.05511	7.1
273.11044	0.8
280.10034	10.1
282.11606	1.5
283.09897	4.2
298.11298	2.3
300.12665	8.2
304.10007	7.6
322.11078	31.0
326.10532	1.6
340.12161	71.1
341.12643	1.3
350.10449	1.4
357.13269	1.0
368.11661	20.3
368.22916	1.9
369.13000	1.5
386.12741	21.6
386.21750	3.3
387.14407	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	385.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.3
62.31253	4.5
67.05516	35.6
69.07088	34.8
71.04990	9.9
71.08595	5.8
71.21961	4.7
79.05495	15.2
81.07065	53.9
83.08627	15.5
85.06553	100.0
89.60326	4.1
91.05461	16.9
91.12283	3.7
93.07059	39.0
95.06052	5.0
95.08618	92.5
97.06573	5.2
97.10186	10.5
105.07021	32.7
107.08610	57.0
109.10165	46.3
110.05080	5.1
111.11761	4.2
115.59926	5.3
117.07071	4.9
119.08586	37.9
121.10148	51.7
123.11787	23.3
125.09609	10.8
131.08589	9.7
133.10139	27.7
135.11717	35.9
137.13278	15.9
145.10181	23.0
147.11679	19.3
149.13261	27.8
159.11697	12.2
161.13284	18.4
163.14857	17.4
168.57074	5.6
169.02431	4.7
173.13281	8.4
175.14830	13.4
177.16496	9.2
187.14861	9.7
189.16449	8.2
191.17975	33.4
201.16379	6.3
203.17993	12.7
215.18112	5.3
217.19496	32.4
243.21066	9.8
247.20618	8.8
257.22681	15.6
262.25409	5.2
285.25763	5.2
296.99274	5.2
299.27200	8.1
320.07449	4.6
327.81354	4.8
385.29388	73.0
385.34720	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01874	4.1
55.05520	2.3
56.05049	0.9
57.03437	3.4
61.02921	3.5
61.04042	1.6
67.05497	1.8
69.03432	13.5
69.07063	1.1
70.04089	1.0
70.06587	7.9
70.51705	2.3
71.04996	2.0
72.08151	4.0
73.02893	2.5
79.05505	3.9
81.03429	5.5
81.07062	3.9
83.01352	1.5
83.05004	1.7
83.08606	4.0
84.04494	2.2
84.08137	3.8
84.08997	1.2
85.02912	40.8
85.03436	1.9
86.03247	1.0
86.09694	2.1
87.04471	4.3
91.03989	1.2
91.05508	4.8
93.07059	3.4
95.04969	2.3
95.08616	1.8
97.02890	12.9
98.06049	1.5
99.04455	5.0
100.07620	1.8
105.07033	9.9
107.04958	5.7
107.08608	8.5
109.02875	5.2
109.06513	1.9
109.10135	1.4
110.07156	2.6
111.04454	3.1
115.05508	1.3
117.06999	5.6
119.08595	8.6
121.02840	1.1
121.06528	7.1
121.10136	4.1
123.04432	2.7
123.08050	1.2
125.05963	5.2
127.03929	7.9
129.07072	1.5
131.08588	4.3
133.06470	2.6
133.10144	1.8
135.04436	3.0
135.08095	7.7
135.11725	1.2
136.06171	1.4
137.02376	1.3
137.06009	4.2
137.09529	1.1
139.07530	2.6
144.09373	1.4
144.13988	1.0
145.02853	1.5
145.04967	3.9
145.10117	1.2
147.04468	1.9
147.08076	3.4
147.11714	4.0
149.05989	2.8
149.09615	9.5
151.03857	1.5
159.08073	1.3
159.11694	6.6
161.05986	5.6
161.09589	1.7
163.03926	10.9
163.07545	15.6
165.05588	1.2
165.16928	0.9
166.08705	1.1
167.07059	3.0
175.07579	3.2
177.09129	5.4
177.12759	1.8
179.10687	10.9
181.05035	1.1
190.10010	1.5
201.05490	6.2
205.12251	100.0
206.12616	2.7
207.13869	2.3
213.08997	1.1
221.08136	1.1
222.11655	1.2
222.13531	1.1
223.13332	81.9
224.13832	3.7
231.06593	1.5
240.98061	1.2
385.18649	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	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26737	2.9
53.03939	3.7
55.01871	5.4
55.05510	29.8
57.07074	7.7
57.08569	2.9
67.05508	47.4
69.03432	6.9
69.07071	12.3
71.04992	5.3
71.08619	12.5
71.55140	3.6
71.55525	4.5
72.08144	4.5
79.05498	30.9
81.03413	3.7
81.07064	42.0
83.04980	8.1
83.08620	10.8
85.02910	4.2
85.06533	9.0
91.05487	25.2
93.07066	34.5
95.04948	19.2
95.08624	30.2
96.05735	3.7
97.02886	13.4
97.06518	9.5
97.10158	13.0
99.04430	4.2
99.08083	8.2
105.07034	25.6
107.04975	4.1
107.08580	16.0
109.06511	20.3
109.10163	16.4
110.07246	3.7
111.04430	16.5
111.08052	4.0
113.06044	5.7
117.07008	12.4
119.05941	3.1
119.08600	16.0
121.06525	21.0
121.10146	16.7
123.04434	8.0
123.08062	9.2
123.11693	5.1
124.36719	3.2
125.05923	3.8
125.09622	12.4
129.06993	4.2
131.08592	21.3
133.10123	11.1
135.08043	9.9
135.11717	6.4
137.05978	6.0
139.11177	5.2
141.06993	6.3
142.07701	3.6
143.08556	6.3
145.10103	10.7
147.08055	5.3
147.11679	6.4
149.02356	9.8
149.09607	13.8
151.11186	4.3
153.05505	10.6
155.08569	3.8
157.10078	7.0
159.11705	6.0
161.09653	5.2
161.13245	6.1
163.11172	4.7
165.12790	18.2
167.10646	4.8
169.10083	5.0
171.11650	5.7
173.13226	4.4
177.12706	5.4
179.14270	3.8
181.12251	100.0
189.12787	5.1
191.14293	5.5
193.05049	8.5
197.13205	7.9
199.11360	4.1
213.12767	4.9
214.42285	3.8
215.14392	17.4
219.10110	5.0
241.12163	3.7
275.20142	4.3
289.21609	12.8
293.21155	37.3
305.21039	20.9
349.21475	5.2
351.25327	62.9
367.22339	17.6
385.09259	10.3
385.23517	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	385.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80834	0.3
53.03949	0.4
53.50656	0.3
55.01864	1.2
55.05507	0.9
57.03442	0.4
59.40139	0.3
64.03158	0.3
65.03938	1.8
65.22398	0.3
67.05511	1.5
68.99776	0.6
69.03432	0.7
69.07063	0.8
69.73306	0.4
69.73719	1.3
70.06585	0.3
72.08157	1.2
73.08469	0.4
79.05506	3.2
79.31323	0.3
81.03429	0.8
81.07049	1.5
82.04172	0.5
83.04977	0.4
83.08629	0.4
84.08165	0.4
85.06545	0.4
91.05486	6.0
93.07030	1.0
95.04964	0.9
95.08601	1.0
97.02885	1.0
97.06533	1.2
99.04446	0.4
103.05431	0.4
105.07042	1.7
107.04951	1.3
107.08605	1.0
109.02875	0.4
109.06535	0.5
109.10149	0.4
109.31826	0.4
110.03673	1.6
111.04516	0.4
115.05450	1.3
116.06223	0.4
117.07045	0.7
119.04955	5.7
119.08595	1.1
121.06502	1.4
121.10146	0.5
123.04477	0.4
123.11777	0.6
125.06000	2.4
128.06248	0.5
129.07028	1.0
130.07787	1.0
131.08589	3.4
133.06508	1.7
133.10130	0.5
135.08025	0.5
135.11713	0.4
137.05968	0.7
138.03134	12.1
141.07019	1.6
143.08566	1.4
144.05678	0.9
145.06526	0.8
145.10150	0.9
147.04428	11.1
147.08047	0.6
147.11716	0.7
149.05881	0.4
153.05476	100.0
154.05869	1.5
155.08574	0.8
157.10153	0.5
158.07253	1.9
159.08072	2.8
161.06032	1.5
161.09584	0.4
163.03912	0.3
163.07613	0.3
165.01895	0.9
167.07123	1.8
167.08363	0.5
169.06467	2.0
171.07977	0.4
173.05986	0.5
173.09610	1.2
175.07530	0.5
177.05530	0.7
179.07021	2.5
183.02916	0.4
185.09572	0.4
186.06789	2.0
187.07538	3.2
189.05489	2.4
191.07072	0.5
191.10681	1.0
192.99214	0.3
198.06825	0.4
201.05518	1.1
201.09149	4.1
203.07082	0.9
204.07791	2.6
205.08658	0.7
213.09158	0.6
217.08691	0.6
219.10181	27.4
220.10550	0.7
233.08105	0.7
233.11780	0.9
245.11699	0.4
297.03857	0.6
307.09506	0.5
309.84711	0.4
329.06570	2.8
357.13538	0.4
367.11765	2.9
385.12738	8.0
385.16730	2.5
385.23749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
54.43655	0.4
55.01859	0.5
55.05510	0.7
57.03434	0.5
57.59669	0.3
65.03938	2.1
67.05502	1.4
69.03413	0.5
69.07061	0.9
70.06582	0.5
70.67205	0.4
70.67534	0.9
71.04969	0.8
71.16909	0.3
78.04710	0.4
79.05499	3.0
81.03410	1.2
81.07054	2.1
82.04191	0.3
85.02898	0.7
85.06524	0.3
91.04967	0.6
91.05491	7.5
93.03397	0.5
93.07045	1.6
94.82332	0.4
95.04964	1.4
95.08614	1.2
97.02906	0.9
97.06536	1.2
105.07016	1.4
107.04958	1.5
107.08607	1.4
109.02837	0.6
109.06485	0.6
109.10161	0.6
110.03671	1.9
112.80658	0.4
115.05437	1.4
116.06239	0.9
117.07023	1.3
118.04217	0.4
119.04962	6.3
119.08604	1.3
120.08058	0.4
121.06509	1.3
121.10197	0.7
123.04443	0.7
123.11691	0.4
125.05990	1.9
127.03963	0.8
128.06258	0.8
129.07001	1.1
130.07739	0.6
131.04984	0.6
131.08601	3.5
133.06514	1.0
135.11745	0.6
137.05972	1.0
138.03136	12.2
141.07016	1.5
143.08560	1.3
144.05701	0.7
145.06522	0.9
145.10120	1.0
147.04427	11.6
147.11652	0.7
153.05479	100.0
154.05818	1.5
155.08511	0.6
157.06569	0.6
157.10133	0.5
158.07288	1.6
159.08058	3.6
161.05994	1.8
161.13283	0.4
162.58989	0.4
163.03903	0.8
165.05521	0.5
167.07051	0.9
169.06488	2.4
169.07678	0.4
173.06000	0.5
173.09630	1.0
175.07576	0.9
177.05450	0.5
179.03418	0.5
179.07083	3.3
181.04939	0.4
185.06088	0.4
185.09641	0.7
186.06729	2.5
187.07573	4.0
189.05534	2.3
189.09204	0.5
191.07031	0.7
191.10739	0.8
201.05455	1.1
201.09167	3.1
203.07063	0.9
204.07826	2.3
205.06685	0.4
205.08549	0.8
212.13689	0.4
213.09201	0.5
215.06973	0.5
217.08669	0.7
219.06746	0.8
219.10190	29.3
220.10558	0.9
233.08035	0.8
233.11743	1.0
239.07243	0.4
245.08034	0.5
245.11877	0.5
282.48172	0.4
307.09573	0.5
364.07916	0.4
367.11792	4.1
367.22723	0.5
385.12259	4.2
385.17252	3.3
385.23669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1281
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
55.01873	2.5
55.05499	0.4
60.14265	0.3
61.07711	0.3
67.05500	0.6
68.99786	1.2
69.03421	0.6
69.07050	0.3
70.95899	0.8
73.39497	0.3
79.01869	0.5
79.05496	0.6
81.03411	0.7
81.07046	0.8
83.04948	0.4
91.05482	0.7
93.07040	0.5
95.04938	0.4
95.08604	0.7
97.02899	0.5
97.06548	0.3
99.00811	0.8
105.06993	0.3
107.08598	0.4
107.92299	0.2
109.02876	0.5
109.10097	0.3
111.04557	0.3
112.07576	0.4
119.04952	0.4
119.08568	0.5
119.92877	0.3
122.20218	0.3
123.00793	1.2
123.04434	0.5
125.05982	0.3
126.45603	0.3
133.02867	0.5
133.06471	0.2
137.02333	1.9
139.07591	0.3
141.00739	0.5
141.01836	8.1
147.04367	0.2
150.03131	1.7
153.05489	2.3
160.16545	0.3
161.05933	0.4
165.01845	41.5
165.05530	0.8
167.06993	0.5
183.02902	21.5
225.13120	0.5
230.05766	0.5
241.32173	0.3
257.04617	0.4
269.04568	0.6
296.03174	8.6
301.07065	0.4
311.05518	15.0
312.05948	0.4
313.03397	0.5
314.04187	4.7
329.06564	100.0
330.06873	3.0
385.07913	0.6
385.12793	11.0
385.17676	0.5
385.23849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1282
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
55.05505	2.0
58.81966	0.8
67.05517	4.5
67.53896	0.7
69.07073	2.0
70.06582	1.6
70.90730	1.9
79.05501	2.9
81.03436	1.2
81.07074	4.8
83.08632	0.9
85.06564	1.3
90.55212	0.8
91.05464	3.1
93.07053	3.2
95.04964	1.4
95.08620	3.3
97.02879	1.2
97.06528	1.7
105.07031	2.9
107.04979	0.9
107.08583	2.7
109.06526	1.1
109.10159	1.7
117.06969	1.6
119.04956	1.3
119.08615	1.8
121.10124	1.9
125.09673	1.5
131.08575	2.1
133.06473	0.8
133.10153	2.4
134.03659	1.7
135.08032	1.1
135.11742	1.4
136.26538	0.8
138.03091	1.2
143.08569	0.9
145.10164	1.4
147.04417	2.3
147.08084	1.3
153.05476	14.1
159.08034	2.0
165.09174	0.9
181.10201	1.0
187.07478	1.3
193.04982	1.0
197.05930	0.9
201.05498	2.4
201.09209	1.2
203.03455	1.8
207.02847	0.8
211.90027	1.0
219.06602	1.0
219.10202	3.3
221.04448	1.7
221.11673	1.5
253.05278	1.0
253.08514	1.2
265.05069	0.9
267.06616	2.2
270.05203	1.5
275.19897	1.0
277.08694	1.1
281.08194	3.2
282.05246	1.3
293.03979	0.9
293.21115	2.7
295.06046	1.7
295.09351	1.0
297.07532	2.3
298.04794	11.0
298.07867	1.6
307.09720	1.6
309.07779	4.4
310.04855	2.0
313.07065	24.2
313.10709	1.6
314.07379	1.0
321.07452	1.0
324.06491	1.0
325.07230	4.6
325.10654	1.3
329.06479	2.1
334.08405	2.4
337.07068	10.5
338.07852	2.4
339.08295	1.4
339.12302	1.2
349.10617	3.5
351.08710	1.5
352.05399	1.6
352.09415	15.7
367.11777	100.0
368.12128	4.0
385.12549	4.6
385.17014	1.9
385.23724	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	385.0318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50032	0.5
56.15254	0.5
56.96564	5.0
71.95264	1.3
92.05878	0.5
98.97588	42.7
99.97923	0.9
100.98008	1.0
101.00894	1.0
116.98630	38.5
117.98945	1.0
119.01928	6.5
134.99669	20.2
135.09538	0.7
137.02957	1.8
140.00201	0.9
153.00742	2.8
158.01239	0.7
158.99879	0.8
177.00958	14.6
178.01088	1.0
182.99850	0.6
195.56166	0.6
201.00937	1.3
203.33485	0.7
217.04083	2.9
219.02025	24.5
220.02200	1.7
225.00893	3.3
234.99902	2.1
236.99797	1.0
240.98712	1.5
242.98604	1.4
243.01987	9.1
244.02190	0.9
255.01102	0.7
258.99789	18.6
260.00009	4.3
260.99704	17.5
261.03098	100.0
262.03201	6.2
263.03036	0.7
275.04651	1.5
276.98114	0.5
277.00842	24.5
278.01065	6.0
279.00656	24.7
283.00031	2.6
284.00928	1.0
284.04642	2.9
284.99829	3.3
300.02539	0.8
301.00998	5.5
302.01468	1.8
303.00931	4.5
325.01273	0.8
343.02054	1.8
361.01013	1.3
367.02393	1.9
385.03329	15.3
386.03372	1.5
402.99921	2.6
403.04929	15.2
404.04593	1.2
408.04584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01877	3.7
57.96075	1.1
61.02925	1.9
65.03924	1.8
67.05505	1.7
69.03423	3.3
69.56106	6.0
69.56513	2.4
70.06605	4.0
72.08152	3.6
73.78592	1.3
79.05505	6.0
81.03431	1.8
83.01334	2.4
85.02904	5.0
89.06005	1.7
91.05493	4.7
95.04974	3.2
97.02896	4.4
103.05452	9.7
105.07034	60.0
107.04974	1.8
109.02885	1.6
115.03934	2.1
115.05449	14.8
116.07088	2.0
117.07021	2.6
118.04172	3.7
119.04976	1.5
123.04449	6.2
127.03915	2.0
131.04944	3.4
133.06497	61.0
134.02702	1.7
136.06151	2.3
137.05943	2.6
140.04616	2.2
143.03459	1.6
143.04945	1.8
143.06052	5.3
145.06468	6.6
147.04393	2.8
150.05524	1.1
151.03909	1.8
155.07065	4.4
157.06499	1.9
159.04448	1.8
161.05991	100.0
162.06406	2.9
162.07750	3.2
163.03975	1.5
163.07994	2.4
167.04770	1.7
167.07056	24.7
169.06491	1.6
173.06027	4.8
175.03825	1.5
175.06128	1.7
175.07578	3.7
177.05511	2.2
179.07005	1.3
183.06538	3.6
187.03819	1.7
189.05504	2.3
190.06175	1.5
191.07091	3.3
192.07809	1.9
193.08620	59.1
201.05484	3.4
203.07072	2.7
205.08650	5.4
207.06537	9.3
208.07410	1.1
217.08748	2.1
219.06577	3.6
220.07387	1.6
221.08052	2.9
229.05003	2.9
231.06500	5.2
233.04547	6.6
233.08028	6.9
235.06302	2.8
235.09654	1.4
245.08223	1.5
249.07716	1.9
251.09154	19.5
252.07204	6.0
253.07515	9.5
259.06100	1.6
259.09650	2.3
261.07581	9.9
263.09134	2.5
275.09012	2.4
277.07092	1.5
279.08578	2.3
289.06985	2.6
291.08755	1.6
293.10226	3.7
307.08069	4.1
385.11264	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	384.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.3
55.69212	0.4
56.05025	1.6
59.34359	0.5
59.41873	0.4
67.05500	1.8
68.05031	1.2
70.06581	0.5
70.95023	1.0
72.08146	0.5
79.05498	1.7
80.05019	1.7
81.03445	2.4
81.04546	2.3
81.07057	1.7
82.05329	1.1
83.05000	0.7
83.06113	11.1
83.08618	1.1
85.02895	1.8
91.05466	1.1
93.04532	6.6
93.07053	0.6
95.04984	0.6
95.06097	14.5
95.08615	1.2
97.02837	0.5
105.07044	1.1
106.06582	0.6
107.06078	6.5
107.08554	0.6
109.06400	1.2
109.07619	0.9
110.07174	44.8
110.34841	0.5
111.05571	2.2
111.21462	0.4
112.08717	1.4
113.07159	1.4
119.06054	1.3
119.08590	0.5
120.05614	1.7
121.07643	2.6
122.07177	1.1
123.09175	0.9
128.94466	0.4
131.06064	3.5
133.07632	3.1
134.07138	0.8
145.07585	0.7
147.11763	0.5
148.08694	2.4
149.07120	0.8
149.09538	1.0
150.10237	1.0
156.07709	5.0
157.07616	0.7
157.10181	0.7
159.09198	0.7
179.61758	0.5
190.03168	0.5
193.12308	0.6
194.09373	0.5
211.13297	0.7
256.18222	0.5
257.16550	1.4
275.17496	3.3
284.17618	1.2
285.15970	2.1
292.20242	0.5
293.18622	12.7
302.18701	3.4
320.19656	6.7
323.19772	1.5
338.20764	26.4
339.19287	1.8
340.22476	0.7
366.20297	6.0
373.98087	0.5
384.21310	100.0
385.21872	2.7
391.18878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58610	0.4
55.05509	1.1
56.05035	1.1
56.07943	0.5
57.03445	0.9
60.19098	0.4
64.23771	0.4
67.05492	1.0
68.05023	0.9
69.59406	2.8
70.06591	0.8
71.04986	0.6
72.08151	0.8
79.05495	1.4
80.05018	0.6
81.03426	1.9
81.04536	1.0
81.07072	2.5
82.05338	1.2
83.05003	0.7
83.06105	13.5
83.08623	0.8
84.04508	0.5
85.02904	3.4
91.05476	1.8
93.04002	0.6
93.04533	8.3
93.07054	1.5
95.05009	0.9
95.06094	12.3
95.08611	0.8
99.76287	0.4
105.07025	1.5
107.04941	0.6
107.06087	1.7
107.08621	0.5
109.06438	1.0
110.07172	67.5
111.05585	2.2
112.08742	2.8
113.07140	1.3
119.08600	1.0
121.07618	0.6
121.10189	0.9
123.08088	0.6
131.06075	0.7
131.08594	0.5
133.07631	1.1
137.06006	1.0
148.08777	0.9
156.07712	6.8
201.32402	0.4
211.13297	0.4
275.17603	0.9
284.17615	1.0
285.15741	0.5
293.18582	4.9
302.18668	1.8
311.19861	0.5
320.19739	4.5
323.19681	1.3
338.20743	36.8
339.19547	0.8
340.22443	1.1
353.93658	0.5
366.20111	2.8
384.21304	100.0
385.21686	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.331
Annotation	17-(4-cyclopropylidene-1-methyl-butyl)-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Peak:m/z	Relative Intensity
53.03942	5.0
55.05516	19.0
57.07072	9.2
59.97330	3.0
67.05511	49.5
69.03433	3.5
69.04559	5.5
69.07079	27.1
71.04965	4.5
79.05497	18.8
81.03428	7.4
81.07060	78.6
81.20620	3.6
82.72754	3.4
83.04992	4.4
83.08619	13.2
85.06548	23.4
91.05479	31.8
93.07050	58.1
95.04955	5.4
95.08616	100.0
97.06539	4.4
97.10153	6.3
98.21533	6.9
105.06392	7.0
105.07043	93.4
107.08604	72.7
109.06493	4.1
109.10167	60.2
111.08116	3.4
111.11706	4.4
117.07012	7.3
119.08585	84.2
121.10144	47.7
123.11715	23.3
127.03853	4.9
129.55748	3.7
131.08575	20.0
133.10132	35.4
135.11694	40.9
137.13237	9.6
143.08568	7.4
145.10144	29.4
147.11693	39.1
149.13271	29.4
155.08493	3.6
155.68198	3.5
157.10107	9.9
159.11684	28.4
161.13260	76.9
163.14812	20.7
165.12798	3.3
171.11739	7.9
173.11852	6.8
173.13268	24.6
175.14830	42.6
177.16411	14.4
179.14290	8.5
185.13164	10.1
187.14847	20.7
189.16364	27.6
191.14301	10.6
191.17998	38.2
193.15865	7.0
197.13266	4.7
199.14851	6.4
201.16364	18.3
203.17949	22.4
205.15985	5.3
205.19443	4.7
213.16409	6.9
214.80844	3.6
215.17937	11.5
217.19591	7.0
227.17879	5.5
229.19516	10.5
241.19473	8.9
243.21068	5.9
255.21065	6.8
297.25958	10.7
309.25696	4.2
365.32013	30.4
383.28860	7.0
383.33200	88.4
384.33765	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	383.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.01889	2.5
55.05302	1.8
55.05518	16.1
57.07084	12.9
57.07326	3.2
58.29610	2.0
59.04987	5.1
65.03928	4.0
67.05179	2.8
67.05509	34.1
69.03430	14.5
69.07069	10.9
71.04986	7.1
71.55829	3.5
79.05493	30.7
79.89555	2.4
81.03400	2.7
81.07056	40.0
83.04976	5.3
83.08601	5.4
85.06544	6.3
91.05483	47.0
93.07053	100.0
95.04974	25.6
95.08044	4.0
95.08610	46.2
97.06544	12.8
103.05481	4.5
105.07038	82.2
107.04958	3.7
107.07956	4.1
107.08599	41.7
109.06513	23.8
109.10165	24.7
111.08081	7.3
115.05438	4.3
116.06284	2.8
117.07034	11.1
119.08578	50.9
121.06481	17.4
121.10155	49.7
122.07281	3.6
123.08096	27.0
126.15785	2.5
128.06207	11.5
129.07010	10.4
130.07846	3.6
131.08583	32.4
133.06487	10.2
133.10156	28.0
135.08055	26.6
135.11729	6.1
137.05957	3.1
137.09630	12.8
141.06998	4.0
142.07802	17.1
143.08569	20.4
144.09328	4.7
145.10146	33.2
147.08076	25.0
147.11694	17.4
148.08800	4.6
149.09613	29.3
149.13235	3.0
150.10307	4.0
151.07549	34.7
153.09091	3.0
155.08528	8.9
155.10611	2.8
156.09349	8.0
157.10138	38.4
158.10825	3.6
159.08046	6.3
159.11690	15.2
161.09634	19.7
161.13286	9.3
163.07498	2.6
163.11154	7.0
165.09119	39.0
169.10109	6.3
170.10875	6.0
171.11693	8.1
173.09662	12.0
173.11827	4.8
173.13289	12.0
175.11140	17.8
175.14827	8.0
177.09117	14.5
178.09860	2.6
179.08549	3.3
179.10590	2.1
181.10144	3.2
181.12186	2.1
183.11699	5.5
185.09721	4.4
185.13278	16.3
187.11197	4.8
187.14914	5.1
189.09068	2.3
189.12740	9.3
193.10144	3.1
195.11713	4.4
197.13226	3.1
199.11116	4.3
201.12769	12.9
203.10666	2.2
203.14308	23.7
205.16031	2.5
206.07922	2.1
207.11903	4.1
207.13794	12.2
209.13235	6.6
209.15276	4.1
211.11023	2.7
213.12723	3.9
213.16368	3.1
215.14264	4.6
219.13789	7.7
221.13573	3.1
221.15375	72.9
223.14865	2.6
227.14331	5.5
231.13670	5.2
233.15375	5.1
234.16180	19.2
237.14944	3.1
239.94853	2.8
241.15858	4.1
243.13765	4.0
274.19421	2.8
281.18994	5.1
283.16751	2.7
286.19351	4.5
287.20013	6.9
299.19788	2.4
303.19540	9.2
317.60126	2.8
347.23776	4.6
365.24814	10.2
383.25784	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	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03957	2.9
55.01863	4.8
55.05506	15.1
57.03453	3.5
57.07072	9.6
59.04991	7.0
67.05214	3.7
67.05516	34.0
69.03430	12.1
69.07073	10.4
70.69572	7.1
71.04990	6.4
79.05502	34.7
81.07067	39.7
83.04980	7.9
83.08630	4.6
83.31079	2.7
91.05487	46.5
91.06018	4.6
93.07049	100.0
95.04985	24.5
95.08611	32.4
97.06567	14.5
105.07032	76.0
107.08597	41.0
109.06522	27.2
109.10165	18.3
111.08085	8.4
115.05467	4.5
117.07009	14.6
119.08587	54.1
121.06508	16.0
121.10160	47.9
123.08080	34.8
128.06264	8.5
129.06999	11.6
130.07773	3.1
131.08572	29.9
133.06487	8.1
133.10138	36.9
135.08044	19.4
135.11745	6.0
136.49474	2.5
137.05910	2.7
137.09644	12.8
141.06984	4.9
142.07806	22.6
143.08551	24.6
144.09363	3.4
145.10132	38.8
147.08075	28.1
147.11728	16.9
148.08838	3.2
149.09633	29.3
151.07549	46.5
153.09123	4.4
155.08539	8.5
155.10674	3.6
156.09361	10.4
157.10152	47.3
159.08115	7.7
159.11742	19.2
160.08856	4.9
161.09647	28.5
161.13252	11.5
163.11194	9.1
165.09116	38.3
168.09341	5.2
169.10188	8.2
170.10945	5.6
171.11714	11.8
173.09647	14.7
173.13303	8.7
175.11223	25.3
175.14810	10.4
177.09082	16.3
179.08675	3.2
181.10234	2.8
183.11743	5.7
185.13312	18.8
187.11229	7.9
187.14789	4.1
189.12695	14.3
191.14334	3.9
195.11621	3.6
196.55676	3.1
197.13321	7.4
199.11240	4.2
199.14807	4.1
201.12804	12.8
203.14363	27.7
207.11813	4.0
207.13818	12.3
209.13347	4.6
209.15344	5.9
211.11208	3.3
211.14839	4.0
213.12738	4.1
215.14354	9.7
219.13840	10.7
221.13487	3.0
221.15379	73.6
225.12715	3.6
227.14409	4.3
231.13857	5.3
233.15300	8.0
234.16196	19.1
243.13803	3.8
273.74017	3.1
279.49091	2.9
281.19077	5.1
286.19144	7.7
287.20135	11.1
299.20044	6.5
303.19485	8.9
309.18338	2.9
347.24048	3.1
365.24777	8.5
383.25824	88.1
384.26346	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03946	5.8
55.05510	15.4
57.07072	12.6
59.04999	5.2
67.05508	28.6
69.03445	15.9
69.07055	8.9
69.86143	3.0
70.80759	6.0
70.81088	4.3
71.04532	3.0
71.04987	8.9
75.26773	3.1
79.05492	34.1
81.07060	38.8
83.04964	8.9
83.08591	6.6
85.06534	8.2
91.05482	50.7
92.73523	3.2
93.07047	100.0
95.04990	25.8
95.08618	36.4
97.06522	16.8
105.07028	82.2
107.08597	48.6
109.06541	24.7
109.10178	22.2
111.08074	12.1
113.09673	3.3
117.07021	13.5
119.08590	56.3
121.06509	14.0
121.10148	41.9
123.08065	29.4
128.06190	11.3
129.06978	15.3
130.07773	6.4
131.08580	34.1
133.06482	6.9
133.10146	29.3
134.80276	3.4
135.08064	28.1
135.11751	3.7
137.09598	10.9
141.07042	5.2
142.07788	23.8
143.08545	25.7
144.09276	3.5
145.06415	5.7
145.10139	35.2
147.08038	24.7
147.11729	20.9
148.08784	3.9
149.09610	28.5
151.07550	37.9
153.07039	3.6
155.08559	9.9
155.10625	3.8
156.09329	7.8
157.10144	42.4
158.10706	4.5
159.08054	10.6
159.11684	21.8
161.09598	21.7
161.13206	5.3
163.11218	9.4
165.09138	38.0
167.08524	4.1
168.09299	4.3
169.10117	5.5
170.10927	7.4
170.93242	3.2
171.11700	10.0
171.36809	3.6
173.09656	10.2
173.13235	14.0
175.11223	20.4
175.14856	7.3
177.09119	13.1
178.09735	3.3
179.08653	3.3
181.09999	5.3
181.12294	4.4
183.11685	5.9
185.09639	3.7
185.13252	20.4
187.11143	7.1
187.14841	5.8
189.12770	9.1
191.14337	5.5
194.10979	3.6
197.13295	10.6
201.12737	10.5
203.14394	23.1
207.11792	3.5
207.13800	14.8
209.13263	8.3
209.15367	9.2
211.14731	4.6
213.12764	4.8
213.16515	3.9
215.14331	11.9
221.13383	3.3
221.15350	68.0
225.12854	3.6
227.14278	6.8
231.13780	5.8
233.15407	9.0
234.16074	20.6
237.14740	6.4
241.15849	3.6
264.63004	3.3
270.90701	3.2
286.19284	7.7
287.20065	11.3
299.20123	3.6
303.19522	8.4
307.20956	4.6
308.63803	3.3
365.24771	14.4
383.25809	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
53.32275	2.6
55.01862	8.2
55.05506	21.2
57.03430	9.9
57.07076	4.6
59.04992	4.9
65.03937	3.5
67.05505	100.0
69.03410	8.3
69.07075	19.5
71.04980	7.1
71.55672	3.3
73.51128	2.7
79.05492	42.7
80.39747	2.8
81.03413	11.0
81.07056	66.1
83.04969	11.9
83.08614	11.7
85.02904	6.2
85.06507	5.3
91.05473	52.7
93.07045	59.1
95.04969	19.3
95.08607	33.8
97.06505	7.7
97.10143	4.1
99.08040	3.7
103.05421	3.6
105.06386	4.6
105.07033	55.7
107.04945	9.3
107.08589	44.4
109.06496	14.7
109.10155	88.6
111.04420	3.1
111.08056	10.8
116.06213	4.4
117.07003	13.5
119.08578	35.8
121.06490	12.9
121.10167	25.1
123.08070	13.0
123.11720	5.6
125.09632	5.3
129.07022	6.6
131.03401	3.3
131.08591	16.3
133.06485	15.0
133.10132	42.6
135.08055	15.3
135.11691	12.5
137.05920	4.1
137.09581	13.6
139.07530	3.3
142.07759	3.2
143.08557	10.1
144.09348	3.8
145.06496	3.6
145.10132	18.4
147.08000	8.4
147.11668	12.6
149.09627	21.3
149.13387	3.7
151.07526	6.6
151.11188	18.0
152.23846	2.9
155.08600	3.1
157.10115	10.4
159.08060	6.4
159.11700	8.9
161.09634	15.9
161.13203	3.3
163.11250	5.0
165.09125	8.6
165.12747	2.8
171.07921	3.1
171.11722	7.1
173.09550	6.9
173.11736	14.1
173.13196	6.3
175.11125	9.7
177.09111	12.7
179.10628	2.9
185.09616	4.1
185.13304	4.3
187.11176	3.3
189.16359	20.8
201.12746	5.0
203.14313	8.9
207.13844	4.7
207.17552	4.0
209.13376	2.8
213.16368	3.0
215.14441	3.5
221.15343	13.2
227.14259	3.1
227.17947	3.3
234.16234	5.6
245.18985	9.4
251.12697	3.3
253.14352	9.5
263.20041	5.4
269.13879	6.7
271.15442	9.8
273.18552	31.9
286.19678	2.6
290.89047	3.0
291.19519	46.5
365.23270	32.9
383.24997	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75249	2.3
50.94591	2.1
52.94114	1.9
53.03934	6.3
55.01867	3.4
55.05510	16.5
57.03429	2.6
57.07072	10.5
59.05000	5.4
63.61878	2.0
65.03944	4.0
67.05509	31.1
69.03433	15.2
69.07066	10.1
70.69496	4.3
70.69836	2.6
71.04988	7.0
79.05491	34.8
81.03441	3.6
81.07059	32.2
83.04959	6.1
83.09724	2.1
85.06544	11.8
91.05481	44.5
93.07045	100.0
95.04965	29.1
95.08609	40.9
96.05837	2.2
97.06535	11.2
103.05463	4.2
105.07033	88.3
107.08594	46.9
109.06511	23.0
109.10154	25.2
111.08067	8.5
115.05495	4.6
116.06239	2.8
117.07018	11.7
118.41167	2.1
119.08583	59.6
120.09390	4.2
121.06507	12.4
121.10145	45.1
122.07281	2.0
123.08074	28.8
123.11774	2.5
128.06184	9.7
129.07010	13.4
130.07759	4.1
131.08569	38.9
133.06525	14.5
133.10144	31.0
133.11102	3.6
135.08067	24.0
135.11684	7.2
137.06017	2.6
137.09630	14.3
141.07001	6.2
142.07813	15.6
143.08575	25.6
144.09332	5.2
145.06474	4.5
145.10109	36.7
147.08047	24.5
147.11662	15.7
148.08812	2.2
149.09619	34.6
150.10306	3.3
151.07549	39.1
153.09134	2.1
155.08537	8.2
156.09373	8.1
157.10126	37.6
158.10880	2.9
159.08057	10.3
159.11694	17.1
160.08937	2.3
161.09631	18.3
161.13254	8.3
163.11197	8.0
164.30226	2.0
165.07039	3.2
165.09116	43.6
169.10110	4.5
170.10918	7.5
171.11740	11.4
173.09645	10.4
173.11876	2.4
173.13254	9.5
174.10437	2.4
175.11189	21.1
175.14847	10.9
177.09097	17.4
177.12759	3.0
178.09897	3.2
179.08607	2.4
181.10080	4.0
181.12376	2.4
182.10870	3.1
183.11723	7.3
185.09679	3.8
185.13264	19.3
187.11162	6.4
187.14864	6.8
189.12717	9.8
191.14278	2.7
193.10149	3.1
194.10931	3.5
195.11630	4.5
197.13293	4.3
198.10431	2.2
199.11145	5.0
199.14763	2.7
201.12791	9.6
203.14320	33.6
207.11987	2.7
207.13834	15.5
208.12624	2.3
209.13286	6.4
209.15387	6.6
211.11223	2.8
213.12718	6.2
215.14359	8.7
216.15129	3.8
219.13792	13.2
221.13380	2.7
221.15358	79.0
227.14359	4.2
231.13782	5.2
233.15408	7.8
234.16164	21.1
265.16107	2.8
267.17596	3.5
274.19226	2.6
281.18912	3.3
286.19290	4.4
287.20029	7.4
291.19720	2.2
299.19955	4.4
303.19440	10.5
309.18546	5.1
327.19537	2.3
347.23871	2.7
365.24719	11.8
383.25775	76.0
383.33035	3.0
384.25626	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	382.999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98646	0.5
56.96569	10.5
59.82038	0.3
71.42483	0.4
71.95277	2.7
72.08150	0.7
91.05818	0.4
98.97588	85.3
99.97952	0.5
116.98627	73.3
117.98889	0.3
134.99666	42.6
136.27705	0.4
139.49492	0.3
140.00183	1.8
149.01263	0.7
153.00723	6.7
158.01266	1.8
176.02301	0.4
177.00957	0.8
181.97266	0.3
192.98790	0.7
216.98795	0.9
219.01968	0.9
220.02028	0.4
234.99910	2.4
236.00084	0.6
240.98647	6.0
258.99789	76.4
260.00046	3.1
261.00339	0.5
261.02994	1.7
263.02856	0.8
273.01379	1.3
274.97757	0.4
275.97784	0.5
277.00836	100.0
278.01010	4.5
279.01111	0.5
282.01389	2.4
283.00003	4.2
284.00171	0.7
284.99792	0.7
291.02277	2.3
292.91525	0.4
295.01849	1.2
300.02414	4.6
301.01062	6.3
302.01279	1.2
303.00812	1.1
316.98895	0.5
317.98981	0.9
319.02191	0.4
334.92593	0.5
341.98911	0.5
357.22644	0.3
358.92545	0.4
359.00732	1.6
360.00198	1.0
364.99176	0.4
376.93481	0.4
377.02649	0.5
382.99771	2.6
400.93338	0.7
401.01132	9.9
402.01230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83076	1.3
55.01849	1.5
57.03442	3.4
61.02929	3.5
69.03431	7.8
69.68105	5.9
69.68513	3.3
73.02898	2.9
74.02445	1.7
81.03430	7.7
85.02908	32.4
97.02897	9.6
98.20753	3.1
99.04496	1.5
103.03950	2.8
109.02908	3.5
117.05800	1.8
118.06546	7.9
127.03928	5.4
130.06537	63.2
132.04451	19.9
132.08089	6.4
142.06503	2.2
144.08089	28.7
145.05072	2.2
145.07623	22.9
146.06009	11.2
148.07562	5.1
152.63478	1.4
154.06528	4.6
156.06812	2.3
156.08105	4.3
157.07632	57.7
158.06024	49.6
159.09184	8.0
160.07570	3.9
169.07632	9.6
170.06012	3.4
170.08397	2.2
171.06822	1.9
171.09152	10.0
172.07590	12.1
173.10776	2.0
174.05522	6.8
175.08687	53.7
176.07056	3.3
181.07588	3.4
182.08383	2.4
183.09193	13.0
184.06091	2.2
184.07584	3.7
185.07156	12.5
186.05521	4.3
186.07896	4.3
187.08615	2.1
196.07564	2.8
197.06931	1.7
199.08717	10.0
200.07092	17.6
203.08171	100.0
204.06595	3.6
204.08447	3.8
207.09245	2.9
209.07130	9.0
215.08163	2.8
216.08936	3.0
217.09744	31.2
221.09232	51.2
225.10201	1.6
227.08110	11.7
228.06636	3.2
231.07709	8.5
238.08667	3.0
239.07840	1.9
245.09207	26.9
263.10275	41.8
268.99677	1.5
269.09149	2.4
274.10754	2.4
299.10187	7.1
301.11890	1.9
311.10373	2.8
329.11334	4.6
347.12274	11.0
348.10666	9.3
365.13470	26.5
383.14511	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	7.3
55.01877	14.1
55.05519	29.9
57.03437	22.0
59.04999	6.3
59.76360	2.8
60.04541	3.9
62.02299	2.5
65.03948	4.7
67.05513	100.0
68.91219	2.5
69.03425	7.1
69.07082	16.4
69.28984	5.1
69.29388	21.9
71.04992	7.1
71.49514	3.0
79.05502	33.1
81.03399	6.5
81.07058	44.5
83.04981	4.9
83.08614	13.1
84.08131	2.9
85.06556	22.4
86.45212	2.6
91.05480	22.0
91.35514	2.5
93.07050	32.6
95.04975	39.3
95.08611	18.9
97.02912	2.9
97.06535	5.8
97.10165	10.0
105.07042	27.4
107.04935	9.5
107.08628	21.1
109.06542	36.7
109.10162	60.8
111.08080	7.9
113.06013	39.9
117.07037	14.3
119.08581	27.6
121.06501	10.6
121.10125	16.5
123.08072	11.0
123.11691	4.2
125.09644	9.6
128.06238	3.9
129.07011	8.0
131.04979	2.9
131.08589	15.0
133.06471	4.5
133.10129	14.9
135.08075	27.6
135.11679	6.4
137.09583	5.6
143.08536	12.0
145.10159	14.8
147.08064	9.2
147.11716	7.0
149.09645	7.1
149.13249	4.6
151.11108	4.1
153.05472	16.3
155.08450	2.6
157.10147	8.3
159.08089	3.4
159.11722	11.8
161.09596	7.1
163.11211	4.1
165.09155	2.6
169.09958	3.2
171.11708	5.0
173.11729	15.6
173.13126	4.3
177.12682	4.3
177.48068	2.9
181.10252	3.1
183.08064	2.8
185.09682	2.7
185.13185	3.9
187.11168	2.8
189.11217	5.5
189.16431	2.7
197.09663	3.4
199.14798	3.8
216.36913	3.3
217.15947	12.0
224.12805	4.5
227.17967	3.8
229.19997	3.0
245.18991	3.3
255.17445	5.2
255.21359	3.1
273.18503	27.2
291.19565	61.5
347.22278	5.4
365.09824	3.7
365.23169	21.3
365.27716	5.2
383.11151	8.4
383.15274	5.6
383.24286	21.2
383.29333	5.4
384.23645	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64479	2.9
53.03938	9.1
55.01861	9.4
55.05517	31.8
57.03426	15.0
57.07071	3.9
59.04985	5.8
60.39661	2.4
65.03951	5.8
67.05513	100.0
69.03431	7.6
69.07082	17.2
69.66644	2.8
69.83264	13.3
71.04984	3.9
72.08163	3.5
79.05505	42.9
81.03418	8.2
81.07067	60.3
83.04986	9.6
83.08630	21.3
85.02918	7.2
85.06538	3.8
91.05497	43.0
93.07049	37.2
95.04948	16.1
95.08620	26.6
97.02908	5.6
97.06528	6.4
97.10161	12.0
98.20736	3.0
105.06489	3.1
105.07058	33.6
107.05000	6.8
107.08614	25.4
109.06514	11.3
109.10177	64.8
111.08100	5.8
117.07007	13.2
119.06091	2.7
119.08592	29.6
121.06453	5.0
121.09412	2.7
121.10105	14.0
123.08067	11.4
123.11739	3.9
124.20193	2.7
125.09617	12.1
129.07030	5.5
130.96310	2.6
131.08562	18.0
133.06453	6.2
133.10152	25.5
135.08028	10.2
135.11691	8.3
137.09618	8.4
138.03194	3.9
141.06960	3.2
143.08514	7.7
145.06531	2.7
145.10141	13.5
147.08049	9.3
147.11691	6.5
149.09612	11.4
151.07581	3.5
151.11160	9.7
152.12396	3.0
153.05493	22.1
155.08510	3.7
157.10136	5.2
159.08125	4.4
159.11674	3.6
161.09615	7.8
165.09094	4.3
171.11755	6.4
173.09596	3.5
173.11827	15.6
173.13115	4.8
175.11194	6.2
177.09120	7.8
181.10025	2.8
189.11215	3.8
193.12270	5.6
219.10216	11.7
223.13295	7.9
245.19081	7.8
253.14542	3.2
263.20187	4.5
271.15234	3.2
273.18509	30.4
291.19528	77.4
347.22321	3.4
365.23309	42.0
370.13095	3.4
383.24619	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.7
55.05511	22.3
57.06823	3.6
57.07081	47.3
59.05004	21.8
65.28921	2.3
67.05506	14.9
69.07073	40.5
70.74226	4.4
71.04996	3.8
71.08642	28.7
77.13403	2.2
79.05492	6.5
81.07068	23.1
83.04982	6.5
83.08618	27.0
84.98598	2.5
85.06534	3.9
85.10181	18.0
87.04471	57.3
91.05492	6.5
93.07050	19.6
95.04980	6.8
95.08612	27.7
97.06538	7.6
97.10184	23.0
101.02390	45.9
105.07052	4.9
107.08601	14.8
109.06514	2.3
109.10165	17.4
111.04455	5.7
111.08049	16.4
111.11740	9.9
113.06020	17.2
119.08594	3.3
121.10148	10.5
123.11758	10.7
125.09646	7.2
125.13283	4.9
135.11713	7.5
137.13251	3.6
139.07561	5.2
145.10144	4.1
149.09654	3.4
149.13249	6.8
153.09134	3.9
158.49022	2.5
163.14874	5.8
167.10661	6.6
177.16364	2.9
182.82797	2.9
187.14966	2.7
233.22572	3.3
303.30566	2.9
307.30124	4.4
321.31497	27.8
345.31509	3.4
355.50476	2.6
363.32629	8.2
381.33701	100.0
382.34103	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	382.1708
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.07053	2.5
58.19500	1.5
61.44984	1.5
66.05052	1.7
67.05482	2.3
69.07064	3.3
70.02942	2.9
70.06584	3.5
71.27634	2.1
71.27972	1.5
72.04501	8.8
73.02909	2.2
85.02906	4.3
85.06541	5.1
86.09693	2.5
90.05560	56.2
94.25924	1.5
95.04952	3.4
98.02422	9.1
100.04004	1.8
103.07575	3.2
112.15804	1.4
113.06021	1.4
113.36624	1.4
116.03472	4.3
120.08051	2.0
124.07615	9.2
142.08644	4.9
148.21017	1.5
160.09680	1.8
166.08652	2.4
184.09703	9.5
192.03915	1.5
192.06583	2.1
202.10765	21.8
204.77203	1.6
220.11816	100.0
232.67627	1.5
242.79329	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.05517	3.0
57.07083	0.9
67.05505	4.9
68.05022	2.4
69.07071	7.9
69.90649	2.9
70.06595	17.2
72.08166	0.8
79.05495	7.3
80.05017	0.6
81.07054	9.1
83.08608	2.2
91.05484	7.9
93.07042	10.5
94.06558	1.9
95.04986	1.1
95.08616	8.2
96.08128	3.8
97.06545	0.9
98.06058	0.6
98.21431	0.8
100.07635	5.2
103.05463	0.8
105.07034	21.0
106.06552	1.4
107.07319	1.0
107.08610	7.3
108.08118	1.9
109.10161	3.7
114.05522	4.9
115.05464	0.7
116.07095	9.5
117.07011	3.2
119.08589	19.1
120.08097	5.1
121.10145	5.6
122.09671	3.0
123.11722	1.8
128.07080	7.3
129.07018	2.1
130.07774	1.0
131.08569	5.5
132.08109	1.1
133.09036	0.9
133.10135	8.4
134.09631	1.6
135.11653	1.1
140.07030	0.7
140.10825	0.7
141.07011	0.7
142.07777	1.5
143.08588	5.0
144.09282	1.2
145.10124	10.0
146.09625	1.1
147.11661	4.1
148.11217	7.7
149.09534	0.8
149.12038	1.4
149.13167	0.6
151.06291	2.0
152.07118	0.7
154.08632	1.7
155.08522	2.9
155.62085	0.6
156.09352	2.8
157.10118	5.2
159.11696	5.6
160.11221	1.1
161.13277	2.0
162.12851	1.0
164.07118	1.6
166.08620	1.2
168.10211	20.6
169.10130	2.7
170.10954	0.7
171.11690	5.2
173.13280	3.1
175.14857	3.9
177.16411	2.7
178.08640	7.3
180.10132	0.9
180.24382	0.7
182.10770	0.7
183.11769	2.9
185.13219	3.6
187.14801	1.4
188.14197	0.8
189.16321	2.9
192.10222	3.5
194.11775	14.9
197.13252	3.3
199.14812	2.1
200.14374	1.0
201.16382	1.1
206.11775	1.8
208.13452	0.8
209.13266	1.3
211.14828	3.2
213.16302	1.2
232.13292	1.4
234.14894	1.3
237.16385	2.3
241.19553	1.1
246.14920	0.8
267.04529	0.6
267.21054	1.4
269.22672	1.2
278.61118	0.6
290.21210	5.8
322.16675	0.6
352.22794	0.9
367.24698	0.7
382.27414	100.0
383.27649	3.9
399.43539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34052	7.3
55.01869	19.6
55.05507	17.7
55.59883	6.8
57.03420	6.8
57.06870	5.9
57.07077	63.5
58.39857	8.3
59.04985	26.3
59.05261	7.3
67.05497	18.4
69.07070	56.5
69.86484	40.5
71.08630	54.1
79.05484	14.7
81.07049	40.1
83.08611	29.0
85.10183	21.9
87.04478	73.5
93.07039	29.7
95.04958	13.4
95.08595	33.5
97.06546	10.3
97.10155	31.5
101.02370	49.4
105.07016	10.2
107.08598	25.8
109.10148	27.5
110.73994	8.3
111.08064	16.1
111.11713	12.8
113.05978	24.2
119.08588	9.3
121.10124	14.2
123.08064	10.0
123.11678	11.6
125.09669	11.6
126.12719	8.0
132.39490	7.7
135.11700	11.8
139.07526	14.8
149.13255	9.2
167.10735	9.3
286.67981	9.2
321.31659	38.0
363.32718	16.8
381.11636	11.9
381.33667	100.0
382.12793	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	380.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
55.05508	0.8
56.94042	0.4
58.68088	0.4
60.62678	0.5
65.51940	0.4
67.05504	1.4
69.07061	1.2
70.06577	0.8
71.55291	0.4
72.08150	1.5
73.86182	0.4
74.02435	0.7
79.05491	1.8
81.03418	4.0
81.07059	1.4
83.04987	0.6
83.08631	0.4
85.02906	0.8
88.04011	1.0
91.05476	1.1
93.04528	1.0
93.07040	1.3
94.04038	0.6
95.08594	1.0
97.02876	1.2
97.06535	3.0
107.04924	0.7
107.08585	0.9
109.05117	0.4
109.10197	0.4
109.29391	0.5
111.05584	0.6
119.03543	2.6
119.08576	0.6
120.05571	0.7
121.06481	0.4
121.10143	1.0
123.04396	1.0
134.04533	1.9
135.06630	0.8
135.11696	0.8
136.06192	93.2
137.04630	2.1
145.05080	3.0
145.10143	0.7
150.07735	2.0
157.74294	0.4
159.11774	0.4
161.09554	0.5
162.07755	100.0
163.08115	0.9
163.11153	1.2
173.09631	0.8
177.88559	0.4
190.07253	0.7
191.10632	0.4
209.11774	0.6
219.10193	0.7
220.08261	0.7
236.07777	1.1
310.40414	0.4
316.17685	1.2
334.18665	0.8
344.16977	3.2
362.18091	2.9
362.21909	0.5
380.19238	26.4
381.19275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26515	5.5
88.03545	1.3
89.77938	1.4
101.37931	1.6
125.03823	1.5
189.60735	1.6
201.01724	2.5
219.02704	4.2
381.07938	100.0
382.08383	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01871	0.3
55.05507	0.6
57.03439	0.2
63.35488	0.2
65.03945	1.1
67.05499	0.9
69.03415	0.3
69.07076	3.0
70.06589	0.2
71.55210	0.3
71.55669	0.2
72.08150	0.4
79.05503	2.3
81.03442	0.4
81.07059	0.9
82.04203	0.3
83.04964	0.2
91.05491	1.1
93.03414	0.3
93.07053	0.7
95.04972	0.8
95.08598	0.8
97.06549	0.2
105.07063	0.9
107.04953	0.6
107.08607	0.6
109.10154	0.5
110.03686	1.8
111.04458	0.2
117.07041	0.4
119.04951	0.7
119.08588	0.6
121.10160	0.4
123.08092	0.3
123.11688	0.2
125.06003	1.9
125.18232	0.2
129.06953	0.3
131.05005	0.9
131.08577	0.4
133.02904	0.3
133.06523	0.4
133.10110	0.7
135.04430	0.2
135.08081	0.4
135.11682	0.2
138.03133	10.8
143.08540	0.2
145.06496	0.5
145.10187	0.5
147.04430	1.9
147.11703	0.3
149.09589	0.3
151.03856	0.3
153.05479	100.0
154.05829	1.4
157.06473	0.4
159.04469	1.1
159.11786	0.4
161.05974	0.8
161.13246	0.2
169.10075	0.2
173.06000	2.8
177.05482	1.2
179.07051	3.3
185.06046	1.5
187.07614	0.3
197.09752	1.2
215.10696	15.9
216.11009	0.4
229.07628	0.2
229.12268	0.5
241.12317	0.6
289.17990	0.3
325.10645	1.4
327.64392	0.2
364.00064	0.2
377.14236	0.2
381.16956	0.9
381.24179	0.3
381.31601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03450	0.6
55.01842	0.4
68.05017	0.5
69.03427	0.4
69.37796	0.6
69.38205	2.5
70.06570	1.6
71.08176	0.4
72.08152	1.8
72.43310	0.4
79.05481	0.4
81.03397	0.4
84.04482	0.7
84.08100	0.6
85.02870	0.6
86.09690	1.0
87.88924	0.4
91.05452	0.7
93.06999	0.4
94.06532	0.5
100.47775	0.4
124.05060	1.1
130.04997	1.2
135.04449	0.4
140.07019	0.4
147.04442	0.6
149.04573	1.4
164.03473	0.4
166.07277	1.5
189.06433	0.9
189.10101	0.6
201.06447	1.6
202.07288	3.1
203.08069	3.3
204.08823	10.4
211.75726	0.3
214.07028	0.5
215.08043	1.9
216.08821	100.0
217.09550	4.7
218.08261	0.4
218.10384	9.1
218.64442	0.3
225.06454	5.3
226.07335	2.3
227.07954	1.6
228.08798	1.4
229.09552	1.0
230.10402	10.9
240.08813	23.1
241.09506	1.9
242.10403	5.2
244.08289	2.2
246.09888	13.9
255.10027	0.9
257.11435	0.4
258.09863	6.8
268.08319	1.3
283.09369	2.2
286.09366	29.4
287.09729	0.5
311.08801	0.5
315.12091	2.6
329.10098	1.3
333.13040	3.1
343.11923	0.8
347.10999	3.2
361.12729	5.0
379.13672	38.4
380.13983	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1577
Annotation	Abafungin
Peak:m/z	Relative Intensity
55.93530	0.5
56.05030	0.5
60.04508	0.4
62.63335	0.4
69.03430	0.7
69.61365	1.1
69.61774	1.7
70.06585	1.7
72.08160	2.2
74.06094	3.7
79.93778	0.4
84.08130	1.3
85.02921	0.8
86.09711	1.4
87.27022	0.4
89.10790	0.4
90.94828	0.8
91.05501	0.8
95.38105	0.4
97.02894	0.9
98.06039	0.6
110.07174	0.9
116.07114	0.7
122.02757	1.4
125.51563	0.4
127.03859	0.6
130.06528	1.6
132.10153	0.7
132.95821	0.6
147.04457	1.2
157.07660	0.8
158.97456	1.2
176.98457	0.7
182.28442	0.4
216.97919	0.8
217.10501	9.9
233.15039	2.8
234.98982	3.5
289.03635	1.0
379.15768	100.0
380.16235	3.0
380.20367	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.9
57.03447	0.5
57.11600	0.3
61.01186	0.3
61.02931	0.6
67.05506	1.7
68.87424	0.4
69.03440	0.6
69.07068	0.9
69.46866	0.5
70.06600	1.2
71.04996	0.5
71.55534	0.5
72.08154	2.1
73.02943	0.4
74.02457	1.3
79.05502	1.1
81.03416	1.0
81.07069	1.3
83.04982	0.4
85.02916	1.0
87.48469	0.3
88.04000	2.4
91.03969	0.6
91.05492	0.8
93.04545	0.4
93.07062	1.1
94.04073	0.8
95.08621	0.8
97.02892	0.6
97.06545	4.8
97.43850	0.4
98.06110	0.5
98.06794	0.3
98.09734	0.4
105.07009	0.6
107.05002	0.4
107.08614	1.0
109.04015	0.7
109.06528	0.5
109.07635	1.0
109.10119	0.3
111.05578	0.8
115.05534	0.4
116.03477	0.8
116.99568	0.4
119.03564	1.7
119.08604	1.3
120.05621	1.5
120.08154	0.4
121.10113	0.6
123.04462	1.6
124.07578	0.4
126.30320	0.3
128.41902	0.3
131.08589	0.4
134.04509	4.0
135.06686	1.0
135.11707	0.7
136.06194	48.0
137.04561	1.7
137.06364	0.3
138.06551	0.4
143.08585	0.4
145.05096	3.1
145.10155	0.8
147.04504	0.4
150.07768	5.4
159.11684	0.4
162.07755	100.0
163.08139	0.4
163.11250	0.4
175.07532	0.6
177.05473	0.4
219.10097	1.9
236.07784	1.2
274.10757	0.7
316.17673	1.6
334.18594	1.4
344.17044	1.1
362.18164	1.0
362.21829	1.5
380.19131	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	378.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69808	0.3
53.03949	0.7
55.01867	0.7
55.04256	0.6
55.05502	1.0
57.03447	1.4
60.51911	0.3
67.05505	3.7
68.05025	2.0
69.03423	0.5
69.05815	4.4
69.07074	0.6
70.06591	17.7
70.16050	1.2
71.04980	1.0
72.08154	1.2
79.05486	2.1
80.05025	0.5
81.03426	2.9
81.07064	2.8
82.06575	0.8
83.04952	0.6
83.07358	6.1
83.08636	0.8
84.04483	0.5
84.08146	1.2
85.06541	1.8
91.05478	2.5
93.07054	1.8
95.04975	3.5
95.08609	1.7
97.02882	0.3
97.06516	0.9
105.07043	1.7
107.04951	1.3
107.08595	0.9
109.06506	1.2
109.10135	0.6
110.06037	0.3
110.09687	0.4
111.08065	0.6
112.11249	2.2
112.96407	0.3
113.06006	3.2
117.07006	0.7
119.04936	0.4
119.08602	0.9
121.06505	0.7
121.10149	0.6
123.04432	0.3
123.08098	0.6
129.06996	0.7
131.08563	0.9
133.06516	0.7
133.10136	0.7
135.04492	0.4
135.08041	0.5
135.11693	0.5
137.05977	2.3
138.09190	0.3
140.10703	100.0
141.11047	1.1
145.06497	0.3
145.10120	0.8
147.04370	0.3
147.11734	0.4
149.09642	0.6
149.11128	0.3
157.10114	0.5
159.11679	0.4
161.05998	0.7
161.09645	0.3
169.10205	0.3
175.07643	0.5
175.11090	0.5
187.07657	0.4
193.12305	1.8
201.09142	0.3
203.16238	0.4
217.29526	0.3
291.19357	0.6
311.16269	0.3
317.17444	0.6
329.17392	0.8
343.18930	0.7
361.20120	1.3
361.25446	0.8
378.26385	48.1
379.26654	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	27.7
57.03434	23.8
57.07077	24.8
60.01552	6.0
67.05507	38.8
69.07067	20.3
69.53644	41.5
71.08619	14.6
77.00620	8.5
79.05489	41.5
81.02621	5.8
81.07062	57.6
83.08624	24.6
84.67670	6.0
85.06549	10.2
85.10194	10.3
88.07648	21.7
89.06042	70.3
91.05480	46.4
93.07056	59.9
95.04968	9.4
95.08603	47.1
97.06566	7.1
97.10185	9.3
101.29157	6.3
105.07039	61.7
107.08598	35.0
109.06522	15.3
109.10160	18.8
117.07058	9.7
119.08604	59.7
121.10158	29.3
123.08084	8.1
123.11724	9.0
125.09644	6.3
129.07033	12.0
131.08598	34.8
133.08603	26.0
133.10161	43.6
135.11723	15.2
137.09651	10.9
139.04234	10.5
143.08569	14.9
145.10135	26.9
147.11705	29.2
149.09616	21.2
151.11105	8.7
157.10204	8.1
159.11690	39.1
161.13300	11.1
163.11247	9.6
169.10184	7.6
171.11678	7.7
173.13283	13.4
177.11227	7.4
183.11722	10.7
185.13301	30.4
195.12244	22.3
197.13217	8.0
201.16449	13.7
203.14377	26.2
219.17442	100.0
229.19418	10.5
239.17999	23.1
257.19019	27.2
275.20065	96.6
277.21661	8.5
312.94693	6.8
359.29391	19.3
377.25128	7.4
377.30426	9.6
378.30023	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	378.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05524	1.2
57.03428	0.5
62.13431	0.2
65.69897	0.2
67.05508	2.0
69.03422	0.7
69.07074	0.8
70.06588	0.8
71.04975	0.3
71.55763	0.2
72.08165	0.7
75.17798	0.2
79.05485	1.5
81.03426	6.7
81.07068	2.1
83.04974	0.8
83.08624	2.2
85.02892	0.4
85.06550	0.3
86.09715	0.4
88.07624	0.2
88.73576	0.2
91.05489	2.3
93.07059	1.3
94.04101	0.2
95.04966	2.8
95.08623	0.8
97.02913	0.6
97.06546	0.7
97.10180	0.4
102.48979	0.2
103.05550	0.2
105.07047	1.8
107.08586	1.0
109.02892	0.2
109.06499	0.5
109.10152	0.4
111.08083	0.8
119.03555	1.3
119.04985	0.3
119.08590	1.5
121.10148	0.8
127.07574	0.2
129.06996	0.9
131.08586	1.0
133.06534	0.4
133.10083	1.0
136.06197	100.0
137.04607	0.9
137.06636	0.5
145.10172	0.3
146.10443	0.3
147.04478	0.2
147.08057	0.2
147.11717	1.0
149.09639	0.7
152.05714	0.3
157.10121	0.9
159.04523	0.2
174.07866	0.3
175.11147	1.2
193.12248	4.7
193.13875	0.4
225.14816	1.4
244.09184	0.3
257.12680	0.2
328.17725	0.3
329.17593	0.3
360.20401	1.1
360.24838	0.2
361.20242	0.3
378.21411	10.3
378.26599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01865	1.9
55.05272	1.1
55.05518	14.2
67.05513	6.4
69.03427	2.2
69.07059	3.0
70.06606	12.2
70.11974	0.8
70.90394	1.9
72.08162	42.9
79.05480	5.8
80.05009	1.2
81.03399	2.5
81.07062	6.8
82.06622	1.4
83.04985	2.7
83.08620	6.7
84.08179	1.4
91.05479	5.0
93.07053	3.0
94.06570	8.9
95.04963	1.3
95.08602	3.8
97.02909	1.5
97.06555	2.2
97.10184	13.5
105.07031	3.7
106.06622	1.4
107.08612	4.8
109.02873	1.2
109.10170	1.6
117.07012	2.0
119.08582	3.2
120.08130	1.8
121.10133	1.5
122.09681	1.2
123.08078	1.1
125.05991	1.1
125.09655	5.4
127.03925	1.1
129.07005	1.0
131.08545	1.4
132.08096	6.6
133.08904	2.1
133.10162	2.2
134.09673	14.6
135.08080	1.6
135.10410	1.1
136.11220	14.3
137.05980	1.6
138.12811	3.2
140.10718	3.7
143.08604	1.5
145.10143	3.0
146.09647	7.0
147.10434	20.7
147.11601	1.9
148.11229	12.8
150.09003	1.1
153.05476	3.5
157.10156	1.5
159.07959	0.9
160.11237	7.6
161.12064	1.7
162.09096	1.1
162.12823	3.5
165.09175	1.2
169.10194	1.2
173.09666	1.1
174.12817	9.6
174.37251	0.9
175.13486	2.1
176.14319	1.9
176.95160	1.0
188.14342	5.6
189.15138	10.5
190.15927	44.7
203.08640	1.0
270.18658	2.5
272.20050	1.1
288.19601	5.8
290.21097	3.0
304.19061	1.4
306.20627	12.3
308.22098	2.6
314.24847	2.0
318.20642	3.1
324.23447	1.4
332.25833	1.2
342.24295	11.5
351.67215	0.9
359.26920	2.0
360.25351	100.0
361.25616	3.5
377.28024	84.8
378.27487	3.2
378.32309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3213
Annotation	Docosatetraenoyl Ethanolamide
Peak:m/z	Relative Intensity
55.05523	0.5
56.05037	0.8
56.88948	0.3
58.06606	98.9
59.06936	0.5
59.11448	0.4
69.90561	1.6
81.07072	0.4
82.06601	0.9
83.07366	5.1
95.08655	0.3
98.09702	23.5
116.10737	0.8
120.69961	0.3
122.72399	0.3
132.37074	0.4
239.52634	0.5
248.46895	0.4
376.32120	100.0
377.32458	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	377.1456
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
50.64033	0.8
53.03941	1.5
57.03446	8.3
58.52502	0.8
58.54154	0.7
59.04999	1.1
61.02932	3.8
69.03440	13.8
71.01353	2.2
71.04980	2.4
71.34557	1.6
72.08162	1.7
73.02918	2.1
74.08613	0.8
75.04481	1.9
76.32714	0.7
81.03438	4.0
87.04457	1.0
87.38877	0.7
93.07040	0.8
99.04469	4.9
103.05434	0.9
107.08897	0.7
117.05501	1.0
125.23875	0.7
137.05994	2.9
145.07579	2.3
155.66478	0.9
170.07156	1.5
172.08713	33.1
178.09280	0.8
190.09790	1.1
198.06592	7.4
200.08226	5.9
214.09767	1.2
216.07722	17.2
218.09383	1.0
220.51289	0.9
243.08798	76.4
244.07106	1.0
244.09291	1.3
285.50925	0.8
359.13641	3.8
377.14566	100.0
378.14990	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	5.5
53.03945	7.6
55.05509	17.3
57.07080	7.0
58.06609	30.0
58.60758	4.0
61.18263	4.2
67.05515	28.2
69.07069	19.4
69.07418	4.1
71.08624	5.4
71.56596	4.3
76.34806	4.5
79.05489	41.1
80.06268	10.4
81.07063	57.4
83.08616	6.8
86.97816	4.5
88.11278	9.0
91.00727	4.4
91.05071	4.1
91.05494	47.8
92.05783	5.6
93.07048	79.5
94.07840	4.5
95.04977	47.9
95.08595	41.4
97.06540	5.1
98.09692	6.1
103.05495	5.3
105.07037	100.0
106.07317	7.9
107.08599	54.8
109.06504	16.9
109.10161	23.5
115.05420	7.2
117.07010	24.5
119.08584	86.9
120.09436	7.4
121.06522	11.0
121.10144	37.9
123.08065	9.5
123.11729	9.9
125.50649	4.7
128.06221	12.5
129.07016	29.9
130.07796	9.8
131.08585	48.1
132.09349	6.9
133.10127	52.0
135.11702	17.5
141.07013	11.1
142.07800	15.9
143.08575	50.0
144.09340	31.5
145.10139	88.7
146.10739	10.7
147.08070	7.6
147.11661	17.4
149.13335	5.5
155.08563	13.6
156.09303	14.4
157.10136	58.6
158.10846	13.8
159.08083	5.6
159.11687	47.7
160.12257	6.3
161.09576	12.4
161.13268	11.5
163.11154	5.5
165.06915	4.1
165.12766	8.9
167.08591	6.2
168.09360	7.0
169.10127	33.0
170.10963	7.9
171.11736	28.7
173.09560	5.2
173.13239	17.3
175.14853	11.5
179.08510	4.5
180.09306	5.6
181.10179	13.8
182.10851	8.9
183.11731	20.8
185.13289	18.0
187.14886	10.6
193.10132	4.8
195.11737	18.3
196.12363	5.4
197.13272	24.5
198.13957	6.4
199.14842	9.0
201.12596	5.4
208.12422	5.7
209.13245	19.2
211.14821	14.8
221.13252	5.8
222.33545	4.3
223.14825	10.4
225.16391	8.0
235.14856	5.7
238.17378	4.3
253.15736	5.0
253.19557	11.1
266.20355	6.4
267.21063	8.9
268.21820	6.5
293.22620	10.1
308.21024	5.3
343.24466	6.1
361.25308	9.3
376.27414	50.5
376.32141	40.9
376.37073	13.2
377.27957	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	375.2894
Annotation	15-HTPE
Peak:m/z	Relative Intensity
55.01871	7.3
55.05524	19.8
56.30730	3.1
57.07065	7.2
57.70954	3.7
67.05515	40.3
69.07074	19.1
71.08638	5.8
71.16328	6.7
79.05487	26.8
81.03430	6.4
81.07060	40.7
83.05003	7.1
83.08621	7.5
85.73343	3.4
87.56941	3.8
91.05492	26.4
92.51862	3.3
93.07052	30.7
95.04980	9.3
95.08618	35.6
97.06553	5.6
97.10185	4.8
103.05452	3.9
105.07058	25.7
107.04948	10.5
107.08586	22.6
109.06444	4.7
109.10181	19.7
111.08108	3.9
117.07011	10.9
119.08590	23.7
119.36071	3.3
121.06502	8.1
121.10150	13.9
123.08048	4.4
129.07027	8.3
131.08591	13.5
133.10138	16.4
135.08037	8.2
135.11697	8.9
143.08485	7.2
145.10136	9.1
147.08026	5.7
147.11684	7.5
149.09627	5.2
149.13243	4.7
149.15320	3.8
157.10129	5.2
159.11722	8.3
161.13246	6.8
165.47107	3.5
171.11751	6.3
175.11205	6.0
177.12779	5.0
179.14349	4.8
187.14847	5.4
189.16396	4.5
215.17867	4.6
217.15837	4.6
241.54810	3.5
329.28311	14.3
339.26810	10.0
357.23508	7.8
357.27866	100.0
375.28903	12.0
389.54404	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	376.1393
Annotation	Tiagabine
Peak:m/z	Relative Intensity
55.01875	2.6
67.05515	2.7
69.03431	3.4
70.06599	31.3
70.73021	7.0
70.73388	3.5
72.08173	12.6
81.03410	5.4
84.04523	9.9
84.08150	6.0
85.02898	5.6
86.09715	12.7
88.03995	7.4
91.05489	8.4
95.04990	3.1
97.02899	2.6
98.02422	3.0
102.05587	4.6
107.04967	8.3
109.02929	4.7
115.05480	5.0
117.07011	2.8
119.04980	19.7
120.08122	2.7
121.06598	3.2
123.04438	68.9
127.03922	19.3
128.04256	11.8
128.07097	3.5
131.04906	3.1
132.10146	3.8
135.04431	17.0
136.07526	3.0
137.06015	9.2
139.03981	5.0
145.06522	10.7
147.04440	5.5
148.07570	5.6
149.05949	2.5
149.08220	2.9
150.00099	2.4
150.09166	4.2
151.07585	7.6
159.04416	3.4
160.07521	2.6
162.09146	8.6
163.03917	13.3
165.05423	3.1
165.06944	2.6
174.09116	8.0
179.07114	3.5
179.08583	8.1
181.06357	4.2
183.08092	4.3
189.07913	3.4
190.08643	6.0
199.07298	5.0
205.05124	2.9
207.08101	13.4
211.07629	3.5
217.08258	4.5
225.09120	4.2
235.07495	13.8
236.09184	5.9
245.07774	3.0
253.08662	21.1
257.08087	13.5
263.07089	9.1
265.32861	2.7
281.08133	28.7
284.12827	100.0
299.09155	7.6
309.07715	3.9
312.12299	20.2
327.08679	5.6
330.13406	97.8
345.10004	4.3
358.12851	11.8
376.13928	81.1
377.14041	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	376.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	5.5
53.03945	7.6
55.05509	17.3
57.07080	7.0
58.06609	30.0
58.60758	4.0
61.18263	4.2
67.05515	28.2
69.07069	19.4
69.07418	4.1
71.08624	5.4
71.56596	4.3
76.34806	4.5
79.05489	41.1
80.06268	10.4
81.07063	57.4
83.08616	6.8
86.97816	4.5
88.11278	9.0
91.00727	4.4
91.05071	4.1
91.05494	47.8
92.05783	5.6
93.07048	79.5
94.07840	4.5
95.04977	47.9
95.08595	41.4
97.06540	5.1
98.09692	6.1
103.05495	5.3
105.07037	100.0
106.07317	7.9
107.08599	54.8
109.06504	16.9
109.10161	23.5
115.05420	7.2
117.07010	24.5
119.08584	86.9
120.09436	7.4
121.06522	11.0
121.10144	37.9
123.08065	9.5
123.11729	9.9
125.50649	4.7
128.06221	12.5
129.07016	29.9
130.07796	9.8
131.08585	48.1
132.09349	6.9
133.10127	52.0
135.11702	17.5
141.07013	11.1
142.07800	15.9
143.08575	50.0
144.09340	31.5
145.10139	88.7
146.10739	10.7
147.08070	7.6
147.11661	17.4
149.13335	5.5
155.08563	13.6
156.09303	14.4
157.10136	58.6
158.10846	13.8
159.08083	5.6
159.11687	47.7
160.12257	6.3
161.09576	12.4
161.13268	11.5
163.11154	5.5
165.06915	4.1
165.12766	8.9
167.08591	6.2
168.09360	7.0
169.10127	33.0
170.10963	7.9
171.11736	28.7
173.09560	5.2
173.13239	17.3
175.14853	11.5
179.08510	4.5
180.09306	5.6
181.10179	13.8
182.10851	8.9
183.11731	20.8
185.13289	18.0
187.14886	10.6
193.10132	4.8
195.11737	18.3
196.12363	5.4
197.13272	24.5
198.13957	6.4
199.14842	9.0
201.12596	5.4
208.12422	5.7
209.13245	19.2
211.14821	14.8
221.13252	5.8
222.33545	4.3
223.14825	10.4
225.16391	8.0
235.14856	5.7
238.17378	4.3
253.15736	5.0
253.19557	11.1
266.20355	6.4
267.21063	8.9
268.21820	6.5
293.22620	10.1
308.21024	5.3
343.24466	6.1
361.25308	9.3
376.27414	50.5
376.32141	40.9
376.37073	13.2
377.27957	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	375.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.05515	100.0
57.03434	12.1
65.03952	3.4
67.05507	22.4
69.07070	12.8
69.79996	12.1
71.04998	3.5
75.15192	2.1
79.05493	25.2
81.07066	38.0
83.04994	2.6
83.08146	3.2
83.08624	53.8
83.89778	2.4
91.05488	35.6
93.07044	39.5
95.04967	14.4
95.08619	31.1
97.06535	9.3
103.05476	2.2
105.07028	57.5
107.08593	25.7
109.06535	11.8
109.10172	13.6
117.07043	12.1
119.08590	47.6
121.06493	8.2
121.10147	26.5
123.08066	8.0
125.09622	2.6
128.06270	3.7
129.07008	8.3
130.07797	4.7
131.08585	29.9
132.66470	2.6
133.10135	27.1
135.08031	2.9
135.11694	8.7
141.06990	3.6
142.07819	3.9
143.08545	11.9
145.10130	28.0
147.07965	2.7
147.11703	13.2
149.09616	7.7
154.07726	2.6
155.08572	5.4
157.10130	14.4
159.11696	24.2
161.09604	3.8
161.13283	8.6
163.11108	2.8
165.07066	2.4
168.09308	2.7
169.10190	5.7
171.11620	5.7
173.13301	11.1
174.35576	2.4
175.11208	3.1
175.14766	2.6
181.10100	4.2
183.11693	7.9
185.13263	12.1
187.14810	5.6
195.11649	3.3
197.13277	3.1
201.16339	7.3
203.14348	6.5
207.11588	2.7
209.13237	4.5
219.17479	44.5
221.13400	3.2
221.15399	4.5
226.23764	2.4
229.19678	2.9
239.17944	6.2
257.19049	10.4
275.17294	4.3
275.20090	61.6
293.21136	4.6
303.23184	8.6
357.27798	8.6
358.28595	2.2
375.26352	4.1
375.29178	2.3
379.78259	2.5
386.85291	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	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	4.4
53.03943	10.8
55.01860	4.0
55.05517	28.3
57.07079	6.3
63.81467	3.6
67.05511	30.9
69.03427	5.0
69.07059	16.1
72.35446	3.5
74.27888	3.7
79.05500	42.7
81.07063	65.5
83.04990	7.1
83.08617	15.4
91.05485	60.8
93.07047	81.0
95.04979	46.7
95.08048	5.4
95.08613	54.8
97.06525	17.6
98.21518	8.7
103.05463	7.7
105.07034	100.0
107.08599	48.2
109.06531	14.9
109.10159	28.6
115.05483	5.6
117.07030	24.6
119.08588	93.6
121.06536	19.2
121.10146	66.6
122.67468	4.3
123.08046	7.0
123.11709	10.6
128.06233	9.2
129.07004	17.5
130.07779	10.2
131.05028	3.8
131.08562	47.7
133.10118	45.0
135.11693	16.2
141.06987	8.5
142.07787	22.6
143.08528	27.1
144.09334	9.4
145.10139	50.2
146.84067	3.8
147.11674	17.9
149.01187	4.2
149.13245	4.4
153.07016	7.4
154.07770	5.5
155.08565	9.2
156.09436	6.1
157.10130	42.5
158.10863	5.4
159.07982	4.1
159.11710	31.5
161.09631	15.1
161.13248	7.3
163.11226	5.8
167.08612	4.7
169.10112	18.4
170.10855	7.5
171.11731	18.3
173.11887	4.1
173.13271	22.1
175.11244	3.6
175.14836	10.8
179.08508	8.2
180.09384	5.4
181.10092	10.0
182.10939	5.2
183.11723	17.0
185.13281	14.9
187.14828	12.9
193.10106	5.9
194.10898	4.3
195.11700	8.8
197.13280	11.8
199.14822	8.8
207.11716	5.1
209.13298	15.5
211.14861	7.5
213.16441	5.6
219.11732	4.7
223.14841	7.5
235.14680	5.9
249.16545	4.3
253.15923	5.2
257.99545	4.1
265.39392	3.6
275.20096	7.4
303.23117	8.1
332.35068	3.8
375.26563	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	375.2378
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03940	7.3
55.01859	10.7
55.05510	23.9
57.03432	8.4
57.07071	7.6
59.04991	3.4
61.02917	11.2
65.03936	3.1
67.05507	17.9
69.03437	40.6
69.07065	51.3
70.06589	9.6
70.68805	5.6
71.04986	13.2
72.08163	25.6
73.02927	6.2
79.05503	11.6
81.03413	20.3
81.07057	35.0
83.04966	11.1
83.08614	9.0
84.08148	3.8
85.02908	93.4
85.06541	31.0
87.04461	6.0
91.03992	5.4
91.05486	9.3
93.07060	17.4
95.04978	7.1
95.08611	42.0
97.02892	30.7
97.06516	10.8
97.10164	13.2
99.04470	11.2
99.08109	23.4
105.07016	6.0
107.04893	4.0
107.08606	31.9
109.02866	19.0
109.10155	17.8
111.08118	5.6
111.11724	10.2
113.09637	8.2
119.08575	4.9
121.06527	4.2
121.10144	38.5
122.03641	3.4
123.04430	4.1
123.11729	9.8
125.09630	11.2
127.03925	49.1
131.08609	3.5
135.07866	3.2
135.11710	16.3
137.05957	9.5
137.13242	23.7
139.11177	6.6
145.04955	17.0
147.11644	3.3
149.13264	5.6
151.14841	9.0
153.12733	10.5
159.11664	4.4
167.07092	6.1
177.16402	100.0
195.17479	41.5
213.18512	45.3
283.40750	3.3
307.83777	3.2
362.31802	3.9
375.14273	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	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	45.4
66.63395	13.1
67.05509	100.0
69.07063	30.6
69.68674	73.9
71.04988	93.3
78.30149	11.9
78.53210	14.1
79.05474	40.5
81.07053	83.6
83.08620	27.7
88.95531	12.2
89.53886	11.2
91.05468	44.2
92.46059	13.3
93.07034	48.8
95.08591	33.2
97.06516	14.8
97.10149	27.5
105.07007	48.1
107.08595	84.5
109.10174	63.3
110.03470	14.7
117.06998	16.8
119.08564	29.1
121.10141	38.6
125.09624	25.6
131.08554	41.3
133.10074	27.6
135.11658	22.6
145.10109	27.3
159.11664	35.5
173.11803	64.3
173.13072	17.4
177.12691	37.2
185.53143	13.0
187.13283	42.4
190.43071	14.3
203.12779	26.1
241.17984	53.0
275.20056	49.8
277.19974	12.4
374.19351	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	375.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
54.34893	0.2
55.01858	0.7
57.03423	0.4
57.78073	0.2
61.02912	0.4
61.89827	0.2
68.99783	0.2
69.03432	2.2
69.80460	0.4
69.80862	0.8
70.06577	0.3
71.01337	0.2
71.04975	0.2
72.08160	1.0
73.02917	0.7
81.03426	3.1
83.04956	0.2
84.08101	0.3
85.02910	4.4
86.09722	0.4
87.00840	1.8
91.03937	0.3
97.02897	1.6
98.20750	0.4
99.04469	0.8
105.01884	1.1
106.02950	0.5
107.03214	0.3
109.02884	3.0
117.01812	0.3
124.03984	0.7
125.04317	0.5
127.03922	100.0
128.04250	0.9
135.80618	0.2
137.25401	0.2
145.04964	1.1
147.02979	0.3
154.59477	0.2
159.02888	1.6
178.05823	0.2
195.06526	0.2
231.05132	0.3
265.09448	0.2
269.08487	0.3
282.67200	0.2
286.04227	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	375.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01869	3.4
55.05503	6.1
56.05029	3.5
57.03423	2.5
61.51390	1.2
67.05490	4.9
69.03431	11.3
69.07072	5.4
70.02946	1.6
70.06592	10.8
70.32662	2.6
70.33053	2.9
71.04974	3.2
72.08155	9.4
79.05484	7.6
81.02974	2.1
81.03423	23.2
81.07051	5.5
83.04975	8.8
83.08603	3.9
84.04508	78.2
84.08145	7.0
85.02905	7.7
85.04877	1.3
86.09711	8.2
87.00845	1.4
87.04443	1.7
91.05512	7.6
93.07035	7.1
95.01339	1.4
95.04986	7.1
95.08612	2.3
96.04496	2.9
97.02899	6.5
97.06525	2.3
97.10165	1.3
98.06056	3.4
98.09702	1.3
99.04433	2.7
101.07137	6.7
102.05539	3.0
105.07036	5.6
107.04949	4.3
107.08572	3.0
109.02876	5.0
109.06477	2.5
109.10142	1.9
111.04447	3.3
111.08037	1.9
115.05433	1.7
117.07012	2.3
119.04956	1.7
119.08569	4.8
119.36032	1.3
120.08102	4.4
121.02862	1.3
121.06531	1.5
121.10114	4.0
123.04440	3.1
124.03936	1.5
124.07578	1.5
127.03923	16.7
129.06990	2.5
129.10223	1.5
130.05009	100.0
131.05013	1.6
131.08623	2.8
133.10110	1.7
135.08035	1.9
136.07564	1.5
137.05991	7.6
145.06400	1.5
147.04465	2.3
147.07655	98.1
147.11630	2.3
148.06041	3.7
149.09631	4.4
151.07619	1.3
157.10136	3.3
159.08199	1.6
164.07080	4.9
165.58707	1.4
167.07072	7.3
175.11176	4.4
177.05453	2.5
181.09657	2.0
184.13412	1.5
187.07568	2.7
191.07031	2.3
193.12227	9.5
211.13326	23.1
222.11365	1.5
222.15068	1.5
238.17998	1.7
250.14383	10.2
268.15378	4.6
277.08582	1.4
290.42645	1.4
295.13849	1.3
331.18475	1.7
375.15744	4.8
380.34167	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	35.3
57.55891	10.1
61.05519	8.5
67.05509	100.0
69.03445	11.2
69.07072	45.8
70.61552	25.6
71.05003	61.1
72.08152	20.6
79.05482	52.5
81.03409	10.0
81.07066	50.6
83.08629	25.7
91.05477	27.0
93.07053	50.9
95.08607	41.7
97.06551	17.0
97.10176	26.8
99.27869	9.1
105.07036	21.9
107.08621	60.5
109.06490	13.3
109.10169	91.3
117.06940	12.2
119.08575	26.9
121.10159	23.6
125.09653	22.7
131.08560	20.5
133.10165	17.0
145.10107	15.2
147.11716	10.2
149.09599	11.1
155.10660	20.5
159.11760	19.8
173.11752	92.7
176.09154	10.4
177.12785	12.0
187.13318	71.4
195.13945	11.8
203.12819	35.6
241.17975	25.7
275.20035	31.6
289.21579	16.8
321.55618	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	374.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.9
61.02927	2.6
62.08926	0.9
69.03429	4.2
70.06593	7.3
71.11766	1.6
72.08147	3.0
73.02918	1.0
81.03416	3.4
83.06073	2.0
84.04498	4.3
84.08154	4.9
85.02918	12.7
86.09711	8.9
87.04473	1.2
88.03990	1.9
89.06039	58.4
97.02895	4.0
97.80245	0.9
107.04994	1.5
107.07087	6.4
107.07701	1.1
109.02908	1.3
110.07172	1.3
113.03506	1.3
120.08092	1.2
123.04470	1.1
127.03928	6.2
129.10316	1.6
131.04974	0.9
133.08609	20.2
135.04425	1.5
137.05971	1.6
139.03880	1.4
145.02817	1.4
145.04997	1.4
147.04472	1.2
149.06004	1.0
151.09669	5.2
153.05487	1.3
164.04475	1.4
164.07022	1.8
166.08635	5.3
177.05437	3.0
177.11243	4.2
194.04491	1.8
194.08289	1.3
195.06522	2.1
195.12294	100.0
196.12651	1.8
212.09184	8.1
226.08099	1.4
231.56894	1.1
242.07648	1.8
251.90576	0.9
328.11606	2.0
356.19330	1.0
372.16266	0.9
374.11911	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01877	0.7
56.96575	0.5
57.03420	1.5
57.05811	1.4
57.09563	0.5
57.97037	0.5
58.06600	0.9
58.89658	0.6
60.53831	0.5
61.02916	2.6
65.03931	0.8
69.03428	6.1
70.06594	0.6
70.91189	1.6
71.04989	0.7
72.08144	0.8
73.02905	0.7
81.03411	2.2
84.08137	2.2
85.02912	13.4
86.09701	1.2
87.04471	1.4
88.03995	3.2
91.03949	0.6
91.05487	0.7
93.03392	1.6
97.02908	6.1
99.04436	0.6
107.04945	4.4
109.02888	2.3
111.04439	5.0
119.01851	0.5
119.04934	1.1
120.08112	1.3
123.04441	1.3
125.05994	0.6
126.05487	0.6
127.03906	2.8
129.10257	0.8
130.16064	0.6
135.04427	13.9
136.07559	0.7
137.05995	1.5
139.03905	23.7
145.04974	1.8
148.07573	1.7
150.09151	1.4
151.06186	0.6
163.03926	3.4
166.08650	50.2
167.08965	0.9
181.04977	17.9
194.08151	2.0
194.72986	0.5
196.09735	0.6
211.14459	0.6
212.09192	100.0
213.09499	2.2
314.07214	2.5
328.13892	1.6
374.09628	1.0
374.14423	8.3
374.23975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01864	1.1
55.05495	0.5
56.05024	0.8
57.03427	2.0
57.05806	1.3
58.06598	1.2
61.02931	3.6
65.03937	0.7
69.03432	8.1
69.28727	4.1
70.06596	1.5
71.04991	1.2
72.08139	1.1
73.02919	1.9
81.03425	3.8
84.04506	1.0
84.08128	2.0
85.02907	16.6
86.09703	1.3
87.04449	1.7
88.04003	4.0
91.03941	0.9
91.05478	1.6
93.03398	1.6
97.02908	6.9
99.04445	0.8
101.00907	0.5
107.04967	5.4
109.02892	2.7
111.04439	6.0
115.03956	0.7
119.01910	1.1
119.04949	1.0
120.08082	1.3
123.04440	1.4
125.05997	1.1
126.05524	2.3
127.03927	8.8
133.03529	0.5
135.04428	14.8
137.05959	1.9
139.03912	25.0
145.04964	1.6
147.04395	1.1
148.07594	1.8
150.09135	0.5
151.06313	1.1
163.03918	5.7
166.08646	61.5
166.47003	0.4
167.09015	0.8
181.04965	19.3
194.08136	0.5
196.79152	0.5
212.09190	100.0
213.09503	1.7
221.05118	0.6
245.04941	0.5
247.03059	0.5
277.08972	0.7
295.09698	1.8
328.14066	0.8
374.14548	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	Unknow
Peak:m/z	Relative Intensity
55.01873	9.9
55.05501	21.8
56.05042	9.0
59.02109	6.0
65.03957	8.0
67.05506	36.6
69.03418	18.6
69.07059	32.9
69.38182	49.0
70.06586	22.0
71.04995	9.3
72.08161	34.1
72.08487	5.6
79.05508	28.7
81.03416	17.1
81.07063	51.3
82.01051	6.6
83.04992	21.6
83.08618	8.2
85.02906	27.5
85.06541	14.4
86.09698	26.3
91.05480	24.1
93.07039	19.3
95.04948	12.0
95.08599	46.5
97.06519	31.9
98.09727	7.9
102.05513	5.3
103.05504	8.6
105.07024	18.5
107.04958	16.0
107.08605	37.9
109.02889	7.4
109.06533	8.8
109.10158	90.3
111.08072	7.5
115.05479	6.2
119.08585	54.1
121.10172	19.4
123.04446	14.2
123.11695	11.5
129.07007	11.3
131.04951	16.4
131.08582	7.8
133.10127	25.7
135.11713	98.3
137.06012	40.4
137.09637	17.2
145.10115	9.7
147.04405	7.4
149.13260	14.4
151.14838	10.3
153.05458	20.0
161.05933	8.3
161.09770	8.3
163.03931	7.0
163.07558	20.0
165.06978	6.8
167.07053	100.0
168.94679	6.4
173.52431	6.1
175.14780	43.0
177.12859	8.1
187.07634	8.0
193.15927	54.2
199.07492	7.2
200.13972	10.5
201.05467	20.3
211.16902	43.0
213.05473	10.9
225.10176	6.3
252.14131	9.8
270.16895	8.2
283.21338	5.9
311.12335	7.7
313.11548	11.4
325.10486	7.7
345.13531	6.0
355.11560	10.4
355.15433	7.8
364.71436	7.2
373.13565	35.3
373.18469	28.0
390.56427	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	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28370	0.6
55.01865	1.5
57.03422	1.7
61.02913	2.4
63.02378	0.8
63.94339	0.7
69.03436	4.8
70.06579	2.5
70.61023	2.4
72.08150	1.1
81.03406	3.0
84.04482	0.8
84.08156	2.6
85.02913	14.5
89.03925	4.7
91.05439	0.9
97.02908	4.0
107.04919	0.8
109.02849	0.8
117.02625	1.2
117.03392	17.9
120.08118	0.9
127.03908	2.5
134.03625	2.0
135.04393	1.7
144.10081	0.9
145.02858	43.6
145.04941	3.8
146.03214	1.2
149.06026	8.8
153.05441	1.2
156.83943	0.7
163.03958	3.5
166.08577	0.8
177.05481	100.0
178.05772	1.9
180.08737	1.4
195.06546	44.5
196.06924	0.8
212.09125	1.0
218.84619	0.8
293.85907	0.8
317.92297	0.7
348.78412	0.8
374.13135	0.9
374.21487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01861	3.8
57.03427	3.2
61.02914	2.6
65.03928	2.1
69.03439	13.2
69.44575	8.9
70.06583	5.3
71.04990	3.1
72.08142	3.1
73.02917	2.9
81.03415	9.5
82.94164	1.1
84.04526	2.5
85.02906	42.0
86.09703	13.6
87.00835	19.4
91.05485	100.0
91.15435	1.2
92.05805	2.0
97.02895	13.9
98.50853	1.1
99.04448	6.3
100.92139	1.4
102.05531	1.7
105.01867	30.6
105.07044	2.2
108.04498	1.8
109.02873	13.0
111.04406	1.3
127.03922	34.6
129.01849	2.3
129.07025	1.8
132.10178	2.8
133.06494	1.8
145.04958	15.1
145.06096	1.8
147.02888	2.1
149.10820	1.4
157.33121	1.3
159.02902	7.7
175.07465	1.6
189.03944	2.9
192.00314	1.3
197.12875	2.4
199.07469	2.8
213.04042	2.3
215.13896	3.3
231.05051	8.3
243.13454	1.8
249.06224	2.7
381.02667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.7
55.01876	6.3
55.05311	1.2
55.05521	15.8
55.85307	1.5
57.03440	6.6
57.07065	1.4
61.02908	2.2
65.03933	2.2
67.05512	33.3
69.03082	2.5
69.03437	38.2
69.07073	21.7
70.06599	7.6
71.04990	8.3
71.55247	1.5
72.08138	4.7
73.02891	1.6
79.05495	20.8
81.03425	67.9
81.07064	96.7
83.05006	7.0
83.08622	9.3
84.08138	2.3
85.02913	27.0
85.06521	8.1
91.05483	36.9
93.07055	18.9
95.04968	6.0
95.08614	17.2
97.02901	11.8
97.06541	10.6
98.09689	2.0
99.04459	7.9
99.08083	6.1
101.06008	2.0
103.05499	1.7
103.78567	1.3
105.07044	50.5
107.04957	1.9
107.08610	15.2
109.02894	21.2
109.06544	6.6
109.10162	5.4
111.08057	3.2
113.06035	1.8
117.07007	2.2
119.08590	44.0
121.10155	31.7
123.04433	1.7
123.08058	5.5
123.11723	37.8
127.03929	23.6
127.07593	6.9
129.07002	2.9
131.04938	1.9
131.08580	3.4
133.10143	6.5
135.04510	1.4
135.08073	1.7
137.05988	2.9
138.03165	1.9
141.07036	1.3
141.09131	1.9
145.05043	1.4
145.06418	2.0
145.10214	1.9
147.04419	3.6
147.11702	100.0
153.05466	15.1
157.10132	2.2
160.07581	1.6
161.02295	1.6
163.03893	6.4
163.07597	1.8
165.05595	2.6
165.12770	70.1
167.07051	3.3
173.02382	2.4
173.05965	2.1
175.07491	1.8
175.11185	4.1
177.05461	2.0
183.13824	13.4
185.09677	1.3
187.03920	3.0
193.12263	9.0
199.03947	3.0
201.05482	5.6
207.10196	2.8
211.07402	1.8
211.13347	2.2
213.05470	4.7
222.10030	1.4
229.14378	19.5
267.13776	2.7
269.13666	2.3
286.17804	1.5
301.10825	1.7
311.12817	4.0
329.35141	1.4
337.16428	1.8
348.63306	1.5
355.15024	3.2
355.17606	3.9
355.23642	5.2
373.13419	5.4
373.24197	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1907
Annotation	Biocytin
Peak:m/z	Relative Intensity
53.03963	0.5
55.01886	0.7
55.05513	1.4
56.05043	3.5
59.35397	0.5
65.03957	0.5
66.97836	0.5
67.05503	1.3
69.03435	0.9
69.07064	1.2
70.06597	7.1
71.53801	0.4
72.08160	15.8
73.04758	0.8
73.79198	0.5
76.02229	0.5
79.05492	0.8
81.03422	3.7
81.07076	1.3
82.06586	0.8
83.04981	0.6
83.08644	0.6
84.04517	3.3
84.08148	100.0
85.02912	2.2
85.06536	0.6
85.08490	1.0
86.09715	8.5
87.05592	0.5
88.04004	0.8
89.10810	2.6
91.05811	1.6
93.05485	0.7
93.07032	0.9
94.06527	0.6
94.37477	0.4
95.05004	1.3
97.01096	1.2
97.02859	0.9
97.04041	3.5
98.09702	11.4
100.02198	0.6
101.07069	0.5
104.60165	0.4
105.07050	1.8
107.04988	0.8
107.08591	0.9
108.08115	0.6
110.06091	0.6
116.07130	0.5
117.03441	0.6
119.08622	0.5
123.02674	2.5
125.07153	1.2
129.10233	0.8
130.04991	4.6
130.08643	3.8
133.10193	0.6
135.04482	1.0
136.02165	1.2
137.06079	0.8
139.05807	1.7
145.02814	0.9
146.06030	0.9
147.04477	0.6
147.07640	3.6
147.11426	0.7
149.00580	1.1
149.04266	0.8
149.05933	0.7
150.05455	0.6
151.08699	0.7
153.05495	1.0
162.03729	1.7
163.03964	1.4
163.06348	0.9
164.01660	1.8
164.07100	1.4
166.06891	2.8
166.08530	0.5
167.05325	1.5
171.02026	1.0
171.10030	0.6
177.03979	0.6
177.05466	2.9
181.03380	0.6
181.04976	0.7
184.07887	1.6
190.03246	1.1
193.12288	1.5
195.06552	0.6
196.04335	2.0
198.09189	0.9
199.09076	2.6
199.18111	1.1
201.05452	1.3
205.03242	1.8
209.02719	1.3
209.07306	3.0
210.02258	1.1
211.02357	0.9
222.05756	2.6
227.08505	42.9
227.17555	0.7
228.08777	0.7
238.18051	1.1
251.03732	1.4
267.16092	0.8
268.06442	2.1
272.80103	0.6
310.15839	39.1
311.16156	0.6
327.10156	5.1
330.22708	1.7
331.09659	0.9
355.26013	0.9
356.24371	0.5
373.19037	59.8
373.26907	2.8
374.19348	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	373.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.03958	6.8
55.01865	6.0
55.05517	11.2
57.03454	2.8
57.07056	1.5
59.04996	1.9
61.02935	1.4
61.59815	1.2
62.59803	1.2
65.03928	2.6
67.05172	2.3
67.05507	33.4
69.03084	1.8
69.03435	33.7
69.07071	18.5
69.36249	2.7
69.36646	11.0
69.86323	1.3
70.06609	7.6
71.04990	8.1
72.08144	4.3
73.06558	1.2
73.65520	1.3
79.05499	21.8
81.03423	59.6
81.07060	86.0
81.61603	1.3
82.18324	1.4
83.04990	8.4
83.08615	9.6
84.08166	1.9
85.02908	23.9
85.06532	7.5
91.05480	32.5
93.07057	17.9
93.15742	1.4
95.04967	5.9
95.08608	17.4
97.02885	14.9
97.06552	10.2
97.10153	2.6
98.09657	1.8
99.04461	13.7
99.08104	3.8
101.06063	1.5
103.05460	1.2
105.07039	48.9
107.04927	2.7
107.08608	18.3
109.02889	21.5
109.06519	7.5
109.10159	5.6
113.09866	1.2
117.07019	3.1
117.88642	1.4
119.08587	37.7
119.20587	1.4
120.05720	1.3
121.06494	2.5
121.09324	2.3
121.10155	32.4
123.04461	3.2
123.08086	2.8
123.11713	37.4
127.03930	21.3
127.07553	3.0
128.06230	1.7
129.06969	3.5
131.04890	2.3
131.08575	2.3
133.10126	4.7
137.05981	4.5
137.09644	1.6
137.13306	1.5
141.07021	1.5
141.09015	1.7
145.04982	2.7
145.06493	3.4
145.10126	3.3
147.04417	5.2
147.11696	100.0
148.11957	1.8
149.09628	2.4
153.05484	15.8
154.06001	1.5
157.06496	1.6
157.10092	3.6
159.04401	2.5
160.07552	2.4
161.05995	3.9
163.03926	3.9
163.07529	1.8
165.05588	1.7
165.12761	60.4
167.07033	4.7
173.02338	2.2
173.05969	2.7
175.11200	5.4
177.12744	1.5
181.05025	1.7
181.06488	2.0
183.13797	10.3
185.05898	1.7
187.03842	2.4
189.05563	1.8
193.08609	1.6
193.12134	6.6
199.03960	2.6
199.07520	2.4
201.05408	4.1
207.10213	2.7
211.13235	1.5
213.05536	7.0
223.07497	1.6
229.14360	14.2
236.87683	1.4
237.12572	1.4
239.07144	1.7
267.13870	4.3
269.13651	1.9
283.13245	2.3
286.18036	2.6
311.12762	2.9
313.11450	2.2
318.20264	1.5
337.16794	2.5
355.15387	4.2
355.23550	6.2
373.13342	4.7
373.17636	1.7
373.24710	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	373.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.0
53.15330	2.0
55.01874	4.7
55.05513	15.4
57.03433	7.1
67.05164	3.8
67.05506	37.5
69.03432	31.5
69.07069	18.1
70.06615	3.5
71.04989	7.0
71.56266	4.4
72.08159	5.0
79.05502	20.0
81.03419	55.4
81.07060	92.1
83.04974	6.0
83.08626	8.5
85.02915	16.2
85.06554	6.5
91.05483	30.0
93.07047	18.4
95.04967	6.8
95.08607	24.7
97.02863	13.3
97.06529	9.1
98.09720	3.6
99.04453	8.0
99.08086	4.9
105.07040	42.5
105.07684	1.7
107.08591	13.9
109.02876	18.7
109.06516	6.9
109.10188	9.6
111.04404	2.7
115.03966	1.9
117.07017	2.0
119.08576	40.5
119.09349	2.8
121.10140	27.5
123.08041	5.4
123.11707	36.6
127.03925	19.3
127.07489	2.5
129.07050	2.4
130.50266	1.9
131.08577	4.0
133.10155	6.5
137.09560	2.8
137.13283	4.0
138.03142	2.4
141.01758	2.5
143.08464	2.5
145.10118	5.6
147.11688	100.0
153.05469	22.2
157.10156	5.5
163.03961	3.8
165.12775	59.0
175.11296	2.2
183.13841	8.3
193.10362	1.9
193.12277	7.0
207.10196	5.8
211.13342	2.4
229.14302	13.8
276.01370	2.1
317.10388	3.0
355.17340	6.4
363.78931	2.2
373.18423	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	373.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39960	0.7
55.01862	0.9
55.05510	1.7
57.31184	0.8
57.32573	0.7
60.19267	0.8
65.03929	1.2
67.05493	2.9
68.03008	0.8
69.07072	29.4
71.10602	1.8
71.10956	0.8
79.05499	4.3
81.03426	1.9
81.07047	2.9
82.04182	1.1
83.08614	1.1
91.05489	3.9
93.07047	3.0
94.10262	0.8
95.04971	2.0
95.08622	1.1
97.01112	1.1
97.06537	1.7
98.09710	0.9
99.79651	0.8
103.05362	0.9
105.07008	2.7
105.77437	0.8
107.08592	2.4
109.10146	1.9
110.03631	0.8
111.04431	0.8
112.34085	0.7
117.07054	1.2
119.04938	2.3
119.08578	1.9
121.10172	0.8
123.04450	1.0
125.05975	1.1
129.06975	1.8
131.08528	1.6
133.06465	1.4
133.10083	0.9
135.11725	1.1
138.03120	9.2
139.03906	16.3
147.04434	3.9
147.11674	2.6
149.05870	0.9
151.03952	3.0
153.05475	100.0
154.05806	1.9
159.04405	1.2
163.03888	2.0
165.05505	3.9
167.07042	1.5
173.02316	1.4
175.11203	0.9
176.11981	1.8
177.05428	2.4
177.50751	0.8
179.07021	3.2
187.03960	1.5
189.09105	1.3
199.03819	1.3
204.02800	0.9
207.10173	23.4
213.05486	1.5
227.10959	0.9
252.14307	1.0
267.13736	0.8
317.10193	7.0
337.14301	2.2
343.07990	1.1
355.15717	1.1
373.12958	2.2
373.17880	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	373.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.8
55.01855	2.1
55.05513	14.4
57.03443	16.0
57.07078	3.7
59.04993	3.5
63.99137	1.3
67.05508	66.8
69.03082	2.7
69.03436	44.8
69.07082	3.9
71.04994	9.7
71.08617	1.5
71.56524	1.7
73.02940	2.8
79.05486	5.3
81.03420	47.8
81.07050	14.0
83.04983	20.6
83.08640	8.5
85.02908	17.1
85.06535	2.4
85.51772	1.5
87.04458	5.0
91.05493	10.1
93.07076	7.4
95.04981	4.4
95.08600	9.7
97.02901	25.7
97.10155	5.2
99.04465	10.1
101.02417	2.3
105.07047	1.9
107.08606	6.4
109.02906	13.8
109.10161	61.5
111.04433	10.1
111.08127	2.6
114.53719	1.6
117.07013	1.7
119.08567	7.4
121.10152	2.0
125.09622	4.3
127.03915	22.4
129.05492	6.4
131.08554	2.3
133.10159	2.3
135.08040	2.6
137.09619	3.4
139.11143	1.4
143.08575	2.0
155.10640	8.7
159.11673	2.4
173.04453	4.7
173.11749	55.2
183.06596	1.9
189.11232	7.6
209.11778	3.4
229.14330	9.7
266.86313	1.7
273.16437	1.9
299.14957	12.1
355.17438	3.8
373.18579	100.0
373.25092	9.5
374.19168	1.9
381.77994	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	372.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01863	0.8
56.05032	0.8
57.03437	1.9
59.05563	0.4
59.55760	0.5
61.02921	2.1
64.81592	0.5
69.03439	6.9
69.94483	2.5
70.06609	2.9
71.04995	0.8
72.04528	1.2
72.08143	1.1
73.02915	1.3
73.04752	1.8
79.05476	0.7
79.40340	0.5
81.03417	3.2
82.06606	0.5
83.60770	0.5
84.04513	1.1
84.08150	2.0
85.02907	15.7
86.09705	1.6
87.04482	1.2
90.01652	0.5
91.03975	1.2
91.05430	1.8
91.05816	2.5
92.05707	0.7
95.12785	0.5
96.87459	0.6
97.02894	5.9
99.04438	0.8
103.05450	2.7
105.07019	4.3
106.39456	0.5
107.04979	1.3
108.08102	0.6
108.53556	0.5
109.02877	2.3
117.05729	0.6
117.07034	1.9
118.06534	2.1
119.07339	3.4
119.08566	0.7
120.08126	5.8
122.07081	0.8
124.07639	0.6
127.03908	3.6
128.39307	0.6
129.07019	3.4
130.06487	0.6
131.04939	2.0
131.07278	1.0
136.06134	0.6
138.05475	0.9
144.08083	0.7
145.04961	2.2
146.09665	6.0
164.10719	100.0
165.11076	2.0
174.09169	0.8
178.04747	0.5
185.06982	0.8
192.10199	1.4
210.11259	92.9
210.62225	0.5
211.11598	1.9
211.14424	0.6
237.02843	0.5
258.62134	0.6
269.97888	0.7
285.01001	0.7
286.00861	1.3
336.14490	0.7
337.19391	0.5
354.15430	0.7
356.07159	0.9
372.16510	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	371.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01870	3.3
55.05505	13.1
57.07067	9.9
67.05507	26.1
69.06731	2.1
69.07074	26.8
70.77920	2.0
70.89590	4.2
71.04993	4.2
71.08636	2.8
79.05499	17.3
79.68921	2.3
81.03407	2.4
81.07060	74.2
83.08614	12.5
85.06516	7.1
87.04462	3.0
89.06064	2.6
91.05430	14.6
93.07052	52.2
95.05002	3.6
95.08614	97.4
97.06540	5.7
97.10150	4.2
99.08105	2.6
105.07024	25.0
107.08604	100.0
109.06526	2.1
109.10157	54.7
111.08086	30.5
111.11689	2.5
116.65605	2.0
117.07005	3.7
119.08587	34.7
121.09325	4.3
121.10153	73.2
123.07969	2.3
123.11707	43.4
125.09620	6.2
131.08548	6.9
133.10139	26.0
135.11705	38.3
137.13263	21.2
145.10069	10.6
147.04420	3.8
147.11702	19.0
149.13268	34.6
151.14867	2.1
153.05426	7.1
153.12766	3.0
154.44221	2.2
157.10133	3.5
159.11763	11.1
161.13269	22.5
163.14804	31.3
167.14330	8.9
173.13266	5.9
175.14819	11.2
177.16374	10.6
179.14328	17.1
181.15887	6.6
185.13286	3.0
187.14772	2.8
188.15858	2.7
188.97255	2.6
189.16396	15.2
191.17955	56.1
198.09148	2.1
199.92789	2.1
201.16376	6.1
203.17921	25.2
205.19502	10.0
213.65117	2.1
215.17955	4.2
217.19533	24.0
229.19542	2.2
233.19112	2.7
243.21097	6.1
247.20456	2.8
257.22614	5.2
261.01297	2.1
261.50491	2.2
316.52295	2.6
353.32056	6.4
371.27682	56.7
371.33072	62.5
371.40646	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87889	3.8
51.77718	3.1
52.19483	3.2
53.03947	3.8
55.05519	24.5
57.03444	5.2
57.07067	7.3
67.05511	34.2
69.03440	5.0
69.07055	16.0
69.39326	14.9
69.39754	17.2
74.67448	3.6
79.05495	31.8
81.07066	47.4
83.04963	13.1
83.08610	9.2
91.05460	40.5
93.07050	100.0
95.04936	9.6
95.08615	66.5
97.06546	20.9
97.07082	3.6
98.20751	7.3
101.05987	8.4
105.07035	64.5
107.08619	47.4
109.06526	9.0
109.10154	32.7
111.08154	5.0
117.07034	9.4
119.07786	6.6
119.08590	81.2
121.10153	45.6
123.08078	9.9
123.11689	12.8
128.06230	4.5
129.05505	4.9
129.07004	11.6
130.07755	5.3
131.08586	32.0
133.10153	45.3
135.08075	9.0
135.11667	18.3
139.07556	57.6
141.06992	5.4
141.09055	5.1
142.07809	19.0
143.08598	23.1
144.09259	4.2
145.10132	60.0
147.08047	8.9
147.11693	14.6
149.09622	11.7
149.13243	8.5
151.11214	4.1
153.05461	8.0
155.08522	7.9
156.09357	6.4
157.10159	36.2
159.11691	33.3
161.09595	9.0
161.13226	8.0
169.10126	10.8
171.11691	16.9
173.13271	22.4
175.11159	8.7
175.14821	15.4
179.08572	5.0
181.10196	4.4
182.10841	5.7
183.11696	12.3
185.13257	14.4
187.14822	17.8
189.16382	8.8
193.10110	6.6
195.11674	11.8
197.13283	11.7
199.14737	6.9
209.13225	8.9
211.14857	7.6
213.12759	7.7
219.11713	3.7
221.13295	4.9
223.14830	6.4
225.16354	7.7
265.19562	7.2
268.26334	7.3
271.20670	4.3
283.20544	6.0
335.23605	3.8
353.24622	7.8
366.41156	4.2
371.25800	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	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01863	7.0
55.05268	2.7
55.05514	43.1
57.03444	19.9
57.07076	8.8
59.04983	2.2
65.03934	2.0
67.05510	100.0
68.05821	2.1
69.03435	3.5
69.07073	68.7
70.29723	7.5
71.05000	4.8
71.08633	4.2
79.05498	38.3
81.03405	2.5
81.07061	95.3
82.07417	1.8
83.04997	8.7
83.08611	18.4
85.06538	6.3
91.05461	15.6
93.07054	47.9
95.04993	2.3
95.08615	62.4
97.06548	14.1
97.10164	16.2
101.06020	2.0
105.07030	9.8
107.08585	26.8
109.06523	2.5
109.09469	3.1
109.10163	45.3
111.08091	5.5
117.07011	4.7
117.47611	1.7
119.08585	5.9
121.10149	30.1
123.11739	15.3
125.09605	5.9
129.06973	1.6
131.08565	9.8
133.10129	8.5
135.08017	3.1
135.11719	14.9
137.09633	2.4
137.13234	9.9
139.11203	11.0
145.10095	3.4
147.04356	2.5
147.11668	7.7
149.09637	4.1
149.13231	7.6
151.14815	2.9
153.05466	9.8
153.12788	3.7
155.10619	2.1
159.11642	4.3
161.13171	3.3
163.07474	1.7
163.11182	2.6
163.14845	3.9
164.46942	1.6
167.07237	1.5
173.11740	13.3
173.13269	5.2
176.11455	2.8
179.14331	2.7
187.07314	1.8
187.14809	4.4
189.11156	2.7
195.13829	3.4
203.12753	5.0
205.08559	2.8
209.15402	2.3
219.21170	2.1
229.14243	1.9
233.22551	2.0
243.21111	5.0
261.22141	13.9
279.23196	28.2
315.08450	1.9
335.25754	2.1
353.26999	13.5
371.14798	4.7
371.28015	50.1
372.28140	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
55.01868	3.1
55.05498	2.4
61.02916	3.0
67.05515	2.8
68.05044	1.9
69.03436	5.6
69.07056	3.2
69.90118	10.0
70.06600	14.0
71.04982	4.4
72.08154	9.7
73.04742	7.2
73.80761	1.9
79.05472	2.6
81.03427	3.3
81.07050	4.2
81.61921	2.1
83.04977	4.4
84.04526	3.1
84.08121	6.9
85.02908	13.7
86.09719	3.2
91.05843	19.0
93.07043	6.4
94.06538	2.1
95.04974	100.0
95.08585	3.5
97.02882	8.4
99.04448	19.6
107.04962	3.0
107.08587	4.8
109.02869	2.4
109.06516	3.2
109.10108	3.2
111.04379	3.3
116.07087	2.8
117.02105	1.9
119.08546	2.9
121.10150	13.0
123.04485	2.4
129.05464	2.6
129.10297	2.4
133.10136	6.3
135.08205	2.6
135.11662	2.7
136.07536	2.5
147.04405	2.5
147.06516	3.8
147.08075	1.9
149.09671	2.4
150.05493	1.9
153.05583	2.0
153.09103	31.3
164.07051	2.6
167.07059	2.2
169.09935	1.7
173.13179	4.8
190.06235	2.4
191.06987	3.2
191.14296	6.9
209.04433	7.1
209.15355	27.4
217.08630	2.0
221.08104	2.9
222.67172	2.0
268.97952	6.0
285.00912	6.6
355.06885	6.8
371.12137	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	371.2067
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03949	2.3
54.74922	1.5
55.01876	3.3
55.05502	7.1
57.03440	2.2
57.07088	3.3
59.05002	1.6
61.02918	5.7
62.61737	1.6
64.06324	1.4
65.03947	3.8
67.05500	7.8
69.03436	21.0
69.07063	6.1
69.44215	3.0
69.44632	9.4
70.06613	8.3
71.04996	2.8
72.08157	21.9
73.02876	1.9
79.05499	11.3
81.03432	11.3
81.07064	12.3
83.04978	7.1
83.08636	2.7
84.04499	3.3
84.08147	16.1
84.08916	1.5
85.02908	31.3
85.06538	3.4
86.06068	1.8
86.09708	8.8
89.06049	9.8
91.05435	12.7
93.07051	9.6
95.04982	16.9
95.08614	10.6
97.02898	13.5
97.06522	4.7
99.04453	6.1
99.08099	2.0
100.07637	1.8
100.11249	2.2
101.05997	2.4
103.05488	2.7
105.07050	10.9
107.04955	10.1
107.08603	14.4
107.88338	1.7
109.02896	4.8
109.06539	8.2
109.10143	7.5
111.04450	3.2
111.08087	1.8
114.05572	1.6
115.05468	4.6
116.07116	2.2
117.07040	4.3
119.04948	3.8
119.08561	8.3
120.08096	3.4
121.06493	4.0
121.08468	2.3
121.10125	13.3
123.04437	5.0
123.08083	7.2
123.11700	4.3
124.05248	1.8
125.05986	2.4
125.09667	2.2
127.03916	6.2
129.05511	2.3
129.07022	6.9
131.04945	5.0
131.08549	4.9
132.05710	1.9
133.06451	3.2
133.08630	3.2
133.10132	8.4
135.08073	4.8
135.11745	3.2
137.05994	12.6
137.09627	13.5
138.03116	3.2
139.11110	1.7
143.08559	2.3
145.05017	3.8
145.06512	2.1
145.10098	2.8
147.04401	7.0
147.07999	2.0
147.11682	5.6
149.05957	1.7
149.09644	15.3
149.13263	7.1
151.03902	3.6
151.07581	4.5
151.11197	18.2
152.04688	1.9
153.05484	29.5
153.09012	3.0
156.05702	2.8
157.06523	3.4
159.08093	6.4
160.05157	2.0
161.06001	6.0
162.06700	2.1
163.03879	2.2
165.09219	2.0
165.12772	40.6
167.07068	34.2
172.05043	1.9
173.05981	2.1
173.13202	5.8
174.06747	2.3
175.03935	2.7
175.07535	8.2
177.05473	4.4
179.07028	2.3
181.04985	8.8
187.07600	11.8
189.05560	1.7
189.09122	4.7
190.07758	2.5
191.06989	3.7
191.14328	18.7
192.07820	2.9
199.07619	3.3
205.04991	1.9
205.08586	7.1
207.06525	2.4
208.13571	1.8
209.15390	100.0
210.15738	3.7
217.04950	3.8
217.08644	6.5
218.07466	1.6
219.08070	2.0
221.06136	1.6
231.08060	2.0
233.05986	2.0
233.09639	1.9
234.06841	3.1
237.10307	2.2
249.09123	6.0
260.08368	1.9
261.09128	3.9
263.07230	2.5
265.09058	2.2
277.08569	3.5
278.09406	2.8
280.07297	1.9
281.11829	2.9
285.00922	2.6
285.07678	3.2
293.11697	3.2
300.09991	3.5
301.10770	1.6
306.08795	1.8
307.09683	2.8
309.11102	7.2
311.09772	2.0
321.11227	7.1
341.13956	3.0
351.18567	1.7
353.13937	9.6
353.24445	3.7
354.22757	2.5
371.07419	3.8
371.15280	28.0
371.25308	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	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.1
55.01863	8.2
55.05495	14.1
58.04236	6.8
61.22774	6.0
63.62108	5.6
65.03958	5.7
67.05515	27.6
69.03436	48.6
69.07062	24.5
70.06581	21.9
71.04983	11.2
71.55454	4.6
72.08150	16.7
73.02910	18.3
73.04779	5.6
79.05498	29.3
80.05453	8.3
81.03414	15.2
81.07063	37.7
82.06603	5.3
83.04989	13.7
83.08608	9.9
84.08147	6.3
84.27370	5.6
85.02912	26.6
85.06583	8.8
86.09707	10.3
87.04476	12.8
89.06036	80.4
91.05415	32.4
93.07038	26.7
95.04973	41.5
95.08601	25.1
96.31984	6.2
97.02894	24.7
97.06538	12.1
99.04450	7.9
103.05489	5.9
105.07043	28.0
107.04960	26.0
107.08614	32.0
109.02887	17.5
109.06522	20.1
109.10174	20.8
111.04404	11.5
111.08068	7.6
113.42539	5.8
113.67503	5.8
115.05463	12.0
119.04988	11.5
119.08591	24.6
120.08098	9.0
121.10151	20.7
122.03609	6.7
123.04503	11.8
123.08063	9.3
123.11755	8.2
125.06014	9.2
125.09648	15.9
128.06204	8.5
129.07002	24.6
131.04950	6.8
131.08577	25.0
133.06549	7.4
133.08626	30.0
133.10136	43.5
135.04417	9.4
135.08087	18.8
135.11731	7.8
137.05984	51.9
137.09576	17.5
138.03125	10.3
139.11240	8.2
143.08582	6.7
144.05699	5.9
145.06487	10.5
145.10117	8.9
147.04443	35.0
147.08037	7.0
147.11694	9.7
149.05984	9.8
149.09656	12.8
149.13271	9.8
151.03973	10.6
151.07539	9.4
153.05470	93.6
153.09100	13.0
155.09886	6.2
156.05634	10.9
157.06532	11.8
157.10182	10.9
158.07382	8.4
159.04416	6.3
159.08066	16.1
161.06035	12.2
161.13237	8.3
163.03909	6.4
163.07590	9.8
163.11195	8.1
165.05505	10.7
167.03426	7.8
167.07045	67.8
169.06471	7.9
169.55933	5.3
173.13326	17.5
174.06828	6.2
175.07541	11.9
177.05460	8.9
177.11151	12.6
181.04939	16.2
187.07556	36.9
189.07187	6.1
189.09155	12.2
191.07027	6.8
191.14308	82.7
199.07625	6.9
205.08646	21.5
209.15359	60.4
217.08568	34.7
218.07327	8.0
219.08003	11.5
221.08081	8.8
231.10176	13.0
233.09573	9.5
235.07367	8.0
247.07472	6.9
247.09746	7.4
249.09070	16.5
251.10788	6.0
261.09079	17.0
263.06985	8.7
264.07938	6.9
277.08673	7.6
278.09219	7.7
281.07962	6.2
281.11786	7.4
285.00922	9.9
285.07578	10.0
287.08969	6.7
293.08444	8.2
293.11658	9.7
297.07526	12.5
300.09875	10.9
307.09631	8.5
308.10294	6.2
309.11127	15.3
311.09158	7.1
315.08530	9.0
321.11221	16.2
326.11288	8.2
339.12338	12.5
341.13797	10.9
353.13696	26.0
353.20453	7.0
371.15222	100.0
371.22418	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01863	3.1
55.05508	6.7
55.63545	0.8
57.03435	1.7
57.07064	0.8
65.03916	1.6
67.05492	3.0
69.03429	5.3
69.07064	1.7
69.87402	3.5
70.06596	3.9
71.05003	5.0
72.08154	6.3
78.04714	0.9
79.05492	5.3
81.03413	2.7
81.07048	3.6
82.06567	1.2
83.04976	2.5
83.08621	4.5
84.04527	0.9
84.08126	2.3
85.02905	8.7
85.06532	2.8
86.06049	0.9
86.09716	1.2
89.20220	0.9
91.05428	4.9
93.07041	3.8
95.04973	100.0
95.08579	2.2
97.02882	3.5
97.06581	1.5
98.09631	0.8
99.04460	22.2
99.07996	0.8
100.07613	1.5
100.11266	13.8
100.83992	0.8
103.05438	2.8
103.96839	1.0
105.07043	8.9
107.04955	6.7
107.08588	2.6
109.02887	1.7
109.06507	1.8
109.10187	2.0
110.06047	1.1
111.04417	2.3
111.08107	1.9
112.33296	0.7
115.05438	2.3
117.06994	2.2
117.13892	0.7
118.04145	1.2
119.08576	4.3
121.06490	2.8
121.10155	2.0
123.04415	3.5
123.08036	1.3
124.05186	1.4
125.05977	1.0
127.03906	2.7
128.06194	2.0
129.05463	0.9
129.07002	4.4
130.04175	1.0
131.04916	3.0
131.08557	1.2
132.05743	1.8
133.06482	3.6
133.10172	5.5
135.04474	1.1
135.08046	1.8
135.11649	1.0
137.06039	4.9
137.09602	1.6
141.11485	1.2
145.04936	1.3
145.06473	1.5
145.10130	0.9
147.04379	2.6
147.08044	2.6
147.11594	1.2
149.05966	1.9
151.03938	1.4
151.11185	1.7
153.05525	4.1
153.09108	33.0
153.10352	1.7
155.07014	2.5
157.06477	1.8
159.08081	2.6
160.05162	1.5
160.68753	0.9
161.05978	5.1
162.06624	1.0
163.07532	1.9
163.11147	1.2
167.07056	51.3
168.07497	1.0
169.06377	1.3
172.05148	1.0
173.05989	1.0
173.13257	3.2
175.07574	14.0
176.07892	0.9
177.05501	2.3
177.09105	1.1
178.07726	1.2
181.04948	1.3
181.08534	1.1
182.15369	4.5
185.06035	1.1
187.07576	10.0
189.09084	1.4
190.06259	1.3
190.07761	1.1
191.07045	4.3
191.14299	3.0
192.07857	1.0
193.08615	3.8
193.15967	0.8
199.07637	4.0
202.07689	0.9
203.08496	1.5
205.08641	1.8
206.07352	0.9
209.08122	1.3
209.15309	24.4
210.14861	4.6
213.17880	1.6
217.04880	1.6
217.08560	2.2
218.07286	1.3
219.08003	1.6
221.07910	4.8
221.09859	1.2
227.17564	4.8
233.09593	1.3
234.06685	1.1
235.07582	2.0
248.08380	1.0
249.09079	3.5
260.08310	0.9
261.09106	2.2
263.06958	1.6
266.09467	1.1
276.72757	5.5
277.08597	1.7
277.23053	1.2
278.09491	2.0
279.06491	0.9
281.11789	4.0
289.08606	2.1
293.08145	0.8
293.11359	1.1
294.08862	1.1
309.11255	4.8
310.11774	1.4
312.14294	1.5
321.11230	3.3
326.11462	1.8
338.11624	1.3
339.12442	1.0
340.26154	1.0
341.13861	4.2
343.30634	3.2
353.13821	3.8
353.25543	3.3
362.27237	3.3
362.77301	1.6
371.15381	5.1
371.19531	1.0
371.25488	1.4
372.23996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41220	1.0
67.05515	2.4
69.03437	2.3
69.35474	3.7
69.35902	5.8
71.04993	3.6
74.07587	1.1
81.03417	1.7
81.07071	1.7
85.02902	7.5
86.69265	1.1
89.06027	6.2
93.07076	1.3
95.04974	100.0
96.05316	1.3
97.02921	1.7
98.20792	2.3
99.04459	21.4
106.06973	1.1
107.08589	1.3
133.08607	3.3
133.10127	4.1
135.08086	1.7
144.49022	1.0
149.47963	1.1
151.11264	1.5
153.09114	35.2
171.91139	1.0
173.13277	3.1
183.64882	1.2
191.14323	5.8
209.15387	28.8
333.06531	1.1
363.72769	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03957	0.6
53.28203	0.4
55.05508	1.8
57.03436	0.7
65.03953	0.4
67.05504	0.7
69.03419	2.4
69.07085	0.7
70.06597	3.4
70.24810	0.9
70.25193	0.9
71.04965	0.5
72.08163	2.2
76.73838	0.5
79.05499	5.1
81.03407	1.0
81.07041	1.8
82.06575	0.5
83.04966	1.6
83.08616	1.3
84.04499	0.7
84.08141	1.4
85.00320	0.5
85.02912	3.1
86.09694	1.8
89.06040	1.7
91.05405	2.8
93.07038	5.8
95.04971	3.8
95.08641	1.1
97.02905	1.4
99.04455	1.0
100.07619	2.1
100.11264	3.4
103.05480	1.4
104.10793	0.8
105.07035	11.3
106.07827	1.1
107.04956	4.0
107.08592	1.0
109.06515	3.3
109.10199	0.6
111.04469	2.6
116.07086	0.8
119.04922	0.5
119.08564	2.5
121.06509	3.9
121.10148	18.6
123.08076	2.7
123.11729	1.2
126.09225	0.5
127.03927	0.7
128.07069	1.4
129.10202	0.5
131.08582	1.7
133.06555	0.5
133.07634	1.5
133.08566	0.7
133.10121	1.0
137.06006	1.3
140.07089	0.7
145.04953	0.5
147.04384	1.1
149.09627	100.0
150.09995	2.4
151.11159	1.9
153.09090	0.8
159.32292	0.4
161.05984	0.8
162.05444	0.5
163.03931	1.0
167.07018	1.1
171.89755	0.6
173.13223	0.5
177.05502	1.1
178.06267	0.9
182.15431	4.3
190.06305	1.8
191.14314	35.9
192.14694	1.1
193.08723	0.9
194.02167	1.4
209.04463	1.9
209.15196	2.2
210.14908	6.4
221.08131	6.8
227.17598	1.9
244.20233	1.3
285.01151	0.7
323.33002	0.5
336.22882	0.7
337.21335	2.9
349.30875	0.5
353.13892	0.7
354.23862	3.1
371.16660	0.7
371.26807	0.7
372.15662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	CHEMBL1689340
Peak:m/z	Relative Intensity
53.03928	1.5
53.56318	1.1
55.01861	1.1
55.05496	1.4
55.89257	1.1
65.03937	3.3
67.05503	2.4
68.99778	1.8
69.03421	1.8
69.07075	15.4
70.06583	1.3
70.84608	2.0
70.84950	2.1
72.08154	2.5
79.05490	6.2
81.03415	2.5
81.07053	5.3
91.05471	14.1
93.03423	1.9
93.07044	3.0
95.04979	7.4
95.08612	2.4
97.06552	1.7
98.52702	1.0
103.05494	2.7
105.03422	1.2
105.07052	4.0
107.04954	7.2
107.08589	3.2
109.02883	9.8
109.06535	2.2
109.10143	2.4
110.03683	2.7
111.04433	1.5
115.05452	2.5
116.06222	1.6
117.07021	1.3
119.04956	13.2
119.08595	3.2
121.06507	1.2
121.10159	3.1
122.03625	1.7
123.04429	4.5
123.11742	1.8
124.05251	1.0
125.05994	2.5
128.06223	2.0
129.07028	4.5
131.04913	1.3
131.08574	7.0
133.02899	3.9
133.06468	3.0
133.10158	1.4
135.04431	7.3
135.11691	1.4
137.05980	14.7
138.03143	11.0
141.05501	1.6
141.07002	2.1
142.07796	1.4
144.05740	3.5
145.06471	4.6
145.10127	1.3
147.04417	32.7
147.11684	1.5
149.02350	4.7
149.05978	2.1
151.03934	2.7
153.05476	100.0
156.05730	4.1
157.06464	1.3
157.10187	1.6
159.08067	10.7
161.06038	2.5
161.09625	1.7
163.03897	2.9
165.05496	3.5
165.09125	2.1
166.06238	1.4
167.03381	5.2
167.07068	17.0
169.04993	9.6
169.06421	2.4
172.05167	1.3
173.05870	1.4
174.06750	1.3
175.03940	3.8
175.07587	3.5
177.05490	5.2
177.09123	1.3
179.06969	6.0
184.05243	1.1
185.09694	2.3
186.06810	1.4
187.07544	17.8
189.05516	1.2
189.09081	2.8
190.06239	2.0
190.07738	1.3
193.04976	1.7
198.06775	1.4
199.07542	2.3
201.09172	2.1
202.57652	1.1
203.08627	1.9
203.10651	1.6
205.06693	1.2
205.08603	35.1
206.07100	1.4
209.06047	1.4
212.04706	1.3
213.05498	1.6
213.09317	2.0
217.08627	10.3
218.07318	2.1
219.10182	2.3
221.09683	1.8
225.05327	1.2
226.06412	1.8
231.08061	2.1
231.10187	18.6
233.09697	2.3
234.06831	2.1
235.07475	1.5
237.05574	2.6
239.07098	3.6
241.08549	3.3
246.06645	1.8
247.09680	3.4
249.09096	2.8
251.07101	1.5
251.11580	1.3
252.07864	1.4
254.05757	1.3
255.06613	2.6
260.08328	1.4
261.09146	3.8
263.07117	2.9
269.08017	2.9
277.08612	3.5
278.09314	2.0
281.11697	2.2
282.05377	3.1
285.07571	5.3
287.09106	10.0
293.11816	3.4
294.08963	1.3
297.07556	22.8
300.09915	8.5
306.08694	2.0
307.09589	1.9
309.11267	3.6
311.13373	1.4
313.10721	2.0
315.08588	13.2
321.11212	6.6
323.09280	2.0
326.11584	3.4
336.11841	1.4
338.11523	2.1
339.12366	3.1
341.13879	3.0
347.08304	1.2
353.13840	14.9
371.14963	75.4
372.15451	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	370.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06134	17.6
67.05486	41.7
68.04552	18.5
69.07061	22.1
69.54638	100.0
69.55058	44.4
75.88329	17.4
79.05490	30.2
81.07058	25.8
91.05462	28.7
95.08627	21.2
98.21474	28.1
100.11221	25.8
109.10175	29.5
119.08528	16.9
120.97675	17.3
151.48694	21.3
170.62584	20.1
199.67409	17.6
308.34045	19.0
370.24350	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.3317
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
55.05511	40.8
56.05024	12.3
57.07083	61.9
61.36772	4.7
61.87222	5.2
67.05494	24.2
69.07075	75.8
70.06564	5.3
71.08643	42.1
71.16875	9.1
74.02435	39.7
79.05510	13.3
81.07053	52.4
82.06599	9.7
83.08633	48.8
84.04496	25.3
84.08140	29.4
85.10191	17.5
85.22955	5.5
93.07043	13.8
95.08615	40.0
96.08121	14.3
97.10157	37.4
97.55028	5.9
102.05524	9.3
107.08603	18.0
109.10160	26.1
110.09634	8.9
111.11721	19.8
121.10118	9.4
123.11709	12.0
135.11673	6.5
149.13274	7.4
152.14304	7.8
175.14839	6.5
241.92639	5.1
282.31561	17.8
292.29800	6.1
306.31525	43.0
324.32596	9.1
352.32120	100.0
353.32504	6.4
354.55469	5.9
370.33215	65.2
370.43124	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99401	4.9
55.01866	10.9
55.05516	30.3
57.03438	8.4
57.07080	7.7
62.46818	4.4
65.03957	5.8
67.05508	67.0
69.07064	18.6
71.08638	36.6
77.12559	4.5
79.05492	53.8
81.03426	8.2
81.07066	62.2
83.04991	11.4
83.08619	12.5
91.05484	42.8
93.07052	69.6
95.04971	12.2
95.08631	41.4
97.06543	8.2
97.10157	6.1
99.08111	27.7
99.71832	4.9
105.07058	39.8
106.33833	4.9
106.89700	4.8
107.04993	7.0
107.08595	45.9
109.06555	10.3
109.10164	30.1
113.09628	6.3
117.07032	9.9
119.08617	24.2
120.45621	4.8
121.06561	7.1
121.10157	29.7
123.11687	6.4
123.13772	5.4
125.09603	9.2
129.07048	7.0
131.08562	15.8
133.10104	24.3
135.11697	34.1
137.05989	12.4
137.09668	7.6
143.08604	12.5
145.10124	11.4
147.11729	10.8
149.13295	10.2
151.11182	19.4
157.10205	6.5
157.30241	5.1
159.11710	11.4
161.13271	15.7
163.11223	7.7
165.12784	8.2
173.11743	4.9
179.14331	100.0
181.12393	6.8
189.11226	8.8
189.12859	8.3
189.91240	5.2
191.08165	5.8
259.20612	10.9
277.21661	55.1
351.25455	41.6
369.24020	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72235	4.1
55.01856	8.8
55.05513	46.2
57.03430	29.1
57.07056	7.0
59.04993	6.5
65.03924	5.3
67.05505	88.6
69.07059	48.1
69.46884	20.9
69.47319	13.2
71.01622	4.5
71.08639	12.8
79.05495	69.7
81.07064	97.3
83.04996	10.9
83.08626	21.7
85.06536	9.8
89.81813	4.4
91.05485	47.6
93.07046	82.3
95.04980	14.1
95.08605	69.6
97.06532	16.8
97.10178	26.3
98.20748	8.9
99.08097	10.1
105.07037	48.9
107.08604	58.5
109.06532	8.0
109.10153	43.3
111.11723	7.8
117.07020	17.5
119.08587	41.9
121.10162	57.9
122.32037	4.0
123.08051	10.7
123.11742	9.8
125.09679	10.7
128.06212	6.4
129.07008	34.2
131.07007	6.1
131.08571	34.3
133.10136	29.8
135.11687	36.2
137.09636	5.3
141.07031	8.1
142.07811	4.6
143.08554	38.4
145.10126	32.3
147.11674	28.8
149.13243	13.8
149.99396	4.0
151.11137	8.1
155.08548	9.7
156.09377	5.9
157.10141	32.6
159.11716	26.8
161.13254	21.2
163.11270	5.9
165.12784	5.7
169.10141	19.9
171.11710	32.5
173.13290	13.4
175.14888	10.3
179.14343	12.3
181.10062	4.6
183.11713	24.0
184.12358	4.2
185.13301	25.0
187.14857	31.4
189.11191	9.9
197.13280	7.5
199.14822	23.0
205.15884	10.0
211.14813	7.2
213.16393	14.3
221.15402	7.5
221.19026	6.2
227.12679	7.7
227.17976	8.4
241.19528	15.8
259.20520	21.1
277.21646	59.9
299.19934	7.8
313.06900	6.5
313.21609	8.3
351.25327	43.9
369.24173	10.0
369.28006	100.0
370.28070	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
55.01879	7.1
55.05511	32.8
57.03444	18.6
57.07063	3.0
59.05011	3.4
65.03952	8.1
67.05511	100.0
69.07072	33.7
69.56776	17.6
71.04995	10.9
71.08618	3.1
72.37885	3.1
79.05065	3.5
79.05502	53.6
81.03435	8.9
81.07064	77.7
83.04977	7.5
83.08630	16.7
83.09058	2.7
85.06573	6.5
91.05490	33.6
92.05827	3.4
93.07055	66.8
95.04973	10.6
95.08613	57.7
97.02868	4.0
97.06549	12.6
97.10180	9.4
99.08087	4.2
105.07046	37.5
107.04938	4.9
107.08609	40.4
109.06538	7.8
109.10171	31.8
111.08085	6.9
113.09675	3.8
115.05435	5.4
117.07040	13.3
119.08598	26.2
121.06515	4.8
121.10146	31.9
123.08118	5.1
123.11714	5.8
125.09626	5.4
128.06235	3.9
129.07021	4.6
131.08580	17.2
133.06502	5.4
133.10132	18.7
135.08028	5.4
135.11720	23.0
137.06018	3.0
137.09621	5.9
138.03114	5.6
139.11208	5.4
145.10141	11.8
147.04448	6.1
147.08035	4.2
147.11710	19.2
149.09634	5.6
149.13298	11.1
151.07645	3.6
151.11246	3.2
153.05472	92.9
154.05794	4.2
155.03749	2.8
157.10141	10.7
159.08134	2.7
159.11697	12.0
159.71411	3.0
161.06000	17.0
161.09595	4.4
161.13210	7.3
163.11218	4.9
163.14865	3.2
167.26241	2.7
169.10156	4.2
171.11728	9.3
173.05997	6.7
173.11761	6.3
173.13197	6.7
175.11270	6.0
175.14836	4.2
177.83305	2.7
183.11703	3.3
185.09686	2.9
185.13271	7.6
187.03914	3.1
187.14824	4.0
189.12814	8.5
191.14293	3.2
195.11732	3.0
199.14864	5.9
203.07275	3.3
203.10698	31.6
207.13838	4.2
213.05518	3.2
217.12274	8.5
259.20575	8.0
269.17416	4.3
277.21564	19.0
311.20386	2.7
313.07040	6.8
313.10751	22.9
351.25201	8.5
369.13113	6.6
369.17032	22.0
369.26855	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	2.0
51.02592	1.8
53.03940	5.5
53.19733	1.8
55.01857	6.4
55.04511	1.9
55.05514	33.0
55.07584	2.0
56.03628	1.8
57.03186	3.1
57.03442	39.8
57.07073	3.1
58.36316	1.9
59.04992	7.6
65.03924	7.1
67.05509	94.2
69.03419	3.9
69.07068	27.5
70.61526	5.8
71.04996	39.0
77.45467	2.0
79.05499	80.6
81.07060	100.0
83.04973	6.1
83.08633	14.6
85.06524	6.9
89.06002	3.1
89.25580	1.7
91.05482	53.8
93.06476	4.2
93.07050	79.7
95.04984	12.7
95.08610	89.7
97.06542	9.4
97.10169	7.3
98.21418	2.4
99.08099	7.4
105.07039	43.8
107.04942	2.4
107.08604	48.8
109.06507	4.6
109.10159	30.0
111.08090	7.0
112.16702	1.8
117.07019	14.6
119.08595	32.4
121.09315	3.6
121.10148	49.1
122.59254	2.0
123.08047	6.0
123.11687	8.6
125.09645	7.0
127.07576	2.5
129.06990	3.7
130.35455	2.0
131.08592	20.0
133.10126	20.8
134.23387	1.8
135.11690	24.6
137.09642	4.0
143.08559	6.0
145.10132	15.7
147.11685	18.4
149.09691	3.7
149.13239	13.6
151.11192	4.3
153.05447	6.8
157.10130	4.4
159.11720	13.2
159.12845	1.8
160.55693	2.2
161.09579	3.1
161.13231	11.3
163.11197	4.0
163.14835	5.2
165.12752	3.5
171.11644	7.0
173.11870	2.6
173.13271	12.7
175.14792	5.4
176.12045	2.4
177.12816	2.7
185.13274	5.2
187.03899	2.1
187.14836	11.6
189.16368	6.4
191.14381	4.0
193.15901	2.2
199.14871	4.4
201.16388	2.4
205.08617	5.8
205.15871	7.5
207.17464	3.4
219.17509	3.3
221.18951	2.5
241.19563	5.3
259.20581	14.9
269.17581	2.2
271.22147	2.6
277.21631	25.6
351.25421	11.7
369.13083	4.4
369.26727	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Cortol
Peak:m/z	Relative Intensity
55.01865	9.9
55.05511	34.8
57.03442	6.7
57.07097	7.9
57.92307	5.4
67.05511	32.7
69.03401	5.9
69.07079	32.4
69.73350	29.1
71.08615	15.4
79.05513	27.6
81.03421	10.6
81.07059	50.4
83.08630	13.2
91.05492	25.2
93.07044	31.8
95.04940	11.6
95.08611	44.5
97.06536	5.4
97.10172	9.7
99.08115	14.0
105.07045	30.3
107.08596	27.3
109.06525	16.6
109.10175	14.9
117.07002	15.4
119.08607	36.2
121.06499	17.6
121.10178	20.6
123.08037	9.9
125.30098	4.8
128.06229	5.5
129.07007	12.6
131.08572	32.0
133.10132	20.4
135.08015	13.1
135.11652	12.3
142.07822	5.8
143.08559	10.8
145.06482	6.5
145.10127	23.2
147.04361	6.2
147.08064	6.7
147.11679	24.0
149.13251	8.6
155.08569	7.5
157.06503	6.9
157.10143	10.7
159.08069	6.6
159.11676	19.3
161.13321	10.5
162.97195	6.4
163.14824	7.4
165.12769	42.7
167.08638	7.4
169.10158	14.6
169.15176	5.0
171.07990	12.3
173.09572	7.8
173.13176	8.1
177.12735	10.9
179.45688	5.0
181.10240	5.6
181.12265	7.8
181.15869	14.3
183.11661	7.4
185.09650	12.9
189.16502	5.7
189.40671	4.9
197.09541	7.3
197.13301	6.7
253.19594	5.6
261.22168	18.1
289.21652	53.7
307.22702	20.2
333.24365	29.5
351.25647	63.3
369.24188	100.0
369.31512	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	4.5
53.03934	12.2
54.23468	4.2
55.01867	10.3
55.05516	51.1
57.03435	13.9
57.07071	7.9
67.05172	6.7
67.05508	100.0
69.03428	5.9
69.07051	34.2
69.71895	13.2
69.72311	12.2
71.04993	7.8
71.08635	70.6
79.05493	74.4
79.34914	4.1
81.02972	4.0
81.03412	21.2
81.07057	80.5
83.04979	20.5
83.08621	24.0
85.06558	8.7
91.05470	51.6
92.93805	4.7
93.07039	66.3
95.04962	29.8
95.08607	56.6
97.06524	12.4
97.10177	25.6
99.08096	65.5
105.07021	38.6
107.04978	6.0
107.08600	46.2
109.06545	7.1
109.10169	28.2
111.08129	5.2
117.07007	9.6
118.90173	4.0
119.08601	30.7
121.06454	6.1
121.10123	23.5
123.08083	7.7
123.11667	9.4
125.09618	30.5
127.11178	4.8
129.06992	5.6
131.00024	4.7
131.08560	13.8
133.10136	22.0
135.08076	6.1
135.11693	17.6
137.09607	7.7
143.08603	7.5
145.10135	13.2
147.11679	21.0
149.09552	6.0
149.13269	10.3
151.11194	86.0
153.05424	9.6
157.10159	7.2
159.11670	11.7
161.09563	7.2
161.13235	24.1
163.11174	16.6
165.12738	11.9
167.10655	4.9
171.11632	8.3
173.02412	4.5
173.11800	27.5
173.13107	7.1
175.11230	7.1
175.14799	7.0
179.14311	20.1
185.13309	7.8
187.03868	14.4
189.00578	9.1
189.11266	30.6
189.12727	7.0
201.05342	4.4
227.12726	17.1
231.21153	5.3
241.19498	10.3
245.13809	16.5
253.17986	17.0
259.20624	20.3
269.17877	4.8
277.21631	76.2
295.22662	7.8
299.15204	4.5
351.25308	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01867	13.7
55.05268	3.8
55.05515	69.3
57.03437	22.5
57.07071	4.4
59.05001	3.9
65.03952	4.5
67.05508	93.3
69.03114	2.0
69.03430	13.7
69.06734	4.0
69.07075	56.8
69.90295	4.5
69.90691	5.2
70.06575	3.4
71.04999	10.7
71.08635	27.4
72.08165	4.9
78.64694	2.4
79.05061	3.6
79.05499	53.8
81.03421	17.1
81.06580	4.9
81.07059	100.0
83.04971	12.9
83.08619	32.5
85.02901	6.4
85.06539	10.1
91.04984	2.4
91.05492	44.4
93.07057	54.5
95.04976	20.8
95.08045	4.1
95.08611	49.7
96.28503	2.3
97.02875	7.2
97.06544	23.4
97.10190	13.1
99.04438	2.9
99.08102	25.4
104.06205	2.0
105.07040	43.1
107.04940	8.6
107.08599	34.9
108.08965	2.7
109.02894	4.8
109.06500	9.5
109.10164	45.9
111.08104	13.8
111.11671	2.8
113.09627	6.4
115.05456	2.3
117.07021	6.9
119.04934	4.6
119.08585	29.8
121.06503	5.6
121.10139	32.4
123.04427	4.2
123.08073	8.0
123.11744	17.2
125.05956	5.0
125.09634	12.7
127.11182	4.6
128.06239	3.8
129.06990	7.0
131.04935	3.7
131.08583	12.2
133.06496	6.2
133.10139	24.4
135.08076	5.6
135.11690	18.2
137.05983	13.4
137.09621	8.9
138.03122	9.0
139.03883	3.0
139.11205	11.5
142.07780	3.0
143.08557	5.5
145.10135	11.8
147.04391	11.5
147.08031	6.4
147.11673	30.7
149.09595	6.1
149.13277	17.2
151.11209	19.1
153.05473	68.8
153.12790	3.4
155.10667	3.2
157.10155	8.0
159.11717	8.9
160.06172	3.4
161.05942	3.7
161.13234	12.3
163.11195	11.1
163.14865	2.8
165.06955	2.8
165.12769	18.6
167.07077	11.7
167.14333	2.8
169.10219	3.3
171.08080	3.8
171.11609	6.0
173.11740	13.7
173.13292	6.7
174.06844	2.5
175.03891	4.8
175.07512	3.5
175.11176	3.0
175.14854	5.9
177.05443	6.0
177.12814	3.7
179.14325	5.8
181.04872	3.1
181.12265	3.3
185.06032	3.0
185.13284	4.3
187.07567	2.7
189.09088	8.6
189.11163	8.3
189.12689	3.6
189.16423	2.4
193.12193	2.9
195.13675	2.6
199.07552	2.7
199.14856	4.5
201.16356	3.5
203.07008	5.2
205.08611	2.7
207.06383	11.8
207.13802	3.2
211.07648	3.6
213.05426	5.9
217.19542	2.8
219.08090	5.2
229.14397	4.3
231.08029	3.5
231.21040	3.7
234.06755	3.0
241.19519	6.8
249.08987	4.3
249.22099	7.3
259.20618	8.9
267.06702	2.8
269.17609	2.9
276.07767	2.7
277.08578	3.0
277.21637	58.7
287.47150	3.0
294.08984	2.7
295.22791	12.5
298.04669	6.4
305.24612	2.8
307.06104	2.5
307.09583	4.0
309.11362	4.3
313.07092	34.9
315.08487	3.3
315.23657	2.5
333.24207	4.0
337.10645	9.8
339.08331	2.7
339.12366	2.8
351.12024	5.1
351.25305	10.1
369.13382	52.0
369.17566	4.4
369.26462	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01875	10.3
55.05516	52.5
57.03449	21.7
57.07074	7.9
65.03930	4.6
67.05508	99.3
69.03441	4.8
69.07073	37.1
71.04995	7.7
71.08636	29.0
71.55325	3.9
72.04531	7.0
79.05502	56.2
79.82126	2.8
81.03418	17.0
81.07065	100.0
83.04974	17.0
83.08621	35.6
85.06538	8.7
91.05482	51.5
93.06475	5.6
93.07050	77.7
95.04974	27.8
95.08619	52.0
97.06541	18.3
97.10177	12.7
99.08112	29.8
105.07044	42.6
107.04974	7.1
107.08601	42.6
109.06532	10.2
109.10165	24.8
111.08096	10.9
112.98869	3.2
117.07046	17.3
119.08590	28.2
121.06464	3.7
121.10128	26.4
123.08109	7.7
123.11694	8.6
125.09618	11.2
129.07002	9.8
131.08583	19.4
133.10139	27.7
135.08035	5.5
135.11703	19.0
137.05960	4.2
137.09613	4.2
139.07590	3.5
139.11212	4.8
142.98000	3.5
143.08583	7.3
145.10147	9.3
147.11708	15.0
149.09627	3.4
149.13261	30.0
151.11203	42.1
155.08626	6.1
157.10152	8.1
159.11710	18.0
161.09665	4.2
161.13268	14.8
163.11206	10.8
163.14859	6.9
165.12804	9.5
169.10088	4.5
171.11711	6.1
173.11751	7.6
173.13159	6.5
175.11200	4.4
175.14818	4.8
177.12790	8.6
179.14342	12.8
183.11581	4.0
185.13312	4.2
189.11238	15.8
189.12715	4.0
195.13802	15.0
199.14865	5.6
217.19875	3.1
227.12784	5.8
241.19513	7.6
245.13788	3.8
253.18010	3.9
259.20596	11.3
262.51248	3.6
269.17502	48.5
277.21652	61.0
316.92654	3.3
351.25461	24.0
369.24408	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2426
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
55.05507	29.7
59.04961	12.3
64.61879	8.4
65.24221	9.9
67.05504	49.0
69.07058	27.2
71.05000	12.3
71.55774	8.2
79.05498	38.6
81.07064	46.5
83.04996	18.8
83.08628	16.4
85.06577	8.1
91.05479	43.0
92.67147	8.9
93.07059	66.1
94.83642	9.4
95.04974	25.9
95.08607	80.7
105.07034	64.3
107.04905	8.9
107.08604	63.9
109.06510	13.1
109.10176	59.2
111.08087	26.1
115.08720	11.4
117.07062	20.0
119.08595	100.0
121.06458	10.3
121.10154	62.8
123.08098	15.8
128.06264	18.9
129.07053	17.7
131.08597	57.8
133.08495	8.4
133.10161	63.8
135.11678	29.2
137.05968	55.2
137.09596	9.6
142.07851	13.8
143.08554	44.9
144.09378	12.0
145.10110	58.7
147.08086	19.8
147.11679	34.2
149.09621	25.8
155.08591	19.6
157.10133	55.2
159.08078	13.4
159.11723	50.6
161.09654	10.2
161.13208	13.1
163.11150	9.7
169.10184	17.5
171.08154	10.3
171.11690	41.3
173.13295	25.4
175.14845	38.2
181.10033	10.4
183.11673	36.3
185.13310	13.9
187.14853	26.1
193.10141	15.7
195.11772	14.3
197.13295	25.5
199.11246	11.1
199.14885	23.0
201.16521	11.3
202.62732	9.6
204.20990	9.9
205.15898	10.8
209.13297	18.1
211.11220	15.5
211.14917	17.0
213.05684	9.5
213.16438	14.6
223.14917	10.3
235.14807	10.7
257.15555	11.8
277.64380	10.1
297.44995	8.8
351.23221	31.5
369.09824	9.8
369.24292	73.0
369.43146	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	369.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
53.14589	0.8
55.01869	1.0
55.05501	2.3
56.05021	1.1
57.03429	3.4
57.07080	1.0
61.02917	1.8
61.48740	0.7
67.05496	3.8
69.03088	1.1
69.03434	19.4
69.07068	1.5
69.60591	2.2
69.61002	3.6
70.06584	5.1
71.04982	2.7
72.08163	5.4
73.02916	2.2
76.80036	0.9
78.03458	1.9
79.05486	3.0
80.05006	2.3
81.03419	8.3
81.07064	12.7
82.06563	1.3
83.04965	2.0
84.04476	1.1
84.08126	4.0
85.02908	79.3
86.09694	3.0
87.04484	1.4
91.05480	6.6
93.07030	1.8
95.04976	2.5
95.06044	1.1
95.08611	3.3
96.04457	1.9
97.02895	100.0
98.09683	2.1
99.04473	5.0
105.07040	6.0
106.02925	12.0
107.08604	2.5
108.08092	2.4
109.02868	5.5
109.06540	2.4
109.10146	3.4
110.07195	2.2
111.04478	1.3
115.03933	1.4
117.03345	1.5
117.06998	1.1
119.04976	6.0
119.08560	6.3
121.06515	1.5
121.10116	2.1
123.04557	0.8
123.08031	1.9
123.11711	56.8
124.03962	21.2
124.07591	1.3
124.11211	1.5
124.12029	1.1
125.06030	5.5
127.03935	7.6
129.06992	1.4
131.08551	2.2
133.06491	2.5
133.10109	2.0
136.07619	1.1
137.05959	2.5
137.09569	0.9
137.36104	0.9
139.07593	4.5
143.08519	1.3
145.02818	4.2
145.04921	1.9
145.10106	6.1
147.04428	4.7
147.08037	1.9
147.11661	6.5
149.09612	3.8
151.07542	3.9
156.09297	1.9
157.03961	1.1
159.07953	0.8
161.13266	0.9
162.05499	1.4
163.03941	1.1
167.03363	1.4
170.67259	0.9
171.11726	2.5
173.03780	1.7
174.10408	0.9
175.03906	6.9
177.05472	5.6
177.09073	0.9
177.12665	1.0
179.10594	1.4
186.77191	0.8
189.12753	19.9
195.07890	1.0
203.06932	0.9
207.06485	13.9
207.13802	22.0
213.12686	1.1
220.06056	17.5
225.14897	1.6
238.07123	1.9
254.06558	6.1
333.17007	12.2
351.10971	1.9
351.18069	9.7
369.14508	1.7
369.19101	10.8
369.23593	4.2
370.11288	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	369.1334
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
50.79678	0.5
51.16619	0.5
53.03920	2.1
55.01874	2.5
55.05518	8.4
57.03445	2.5
57.07056	0.5
60.05572	0.5
61.02902	0.6
65.03916	1.0
67.05508	13.7
68.99781	0.6
69.03445	3.5
69.07072	5.2
69.37246	1.8
69.37678	2.5
70.06583	0.7
71.04971	1.6
71.08636	4.3
72.04440	0.6
72.08149	0.9
79.01859	12.2
79.05497	14.5
81.03419	4.5
81.07058	15.7
83.04974	2.7
83.08636	6.4
85.02917	3.8
85.06499	1.8
89.03930	0.6
91.05483	13.5
93.07052	14.4
95.04980	4.7
95.08617	8.3
97.02895	2.5
97.06547	3.0
97.10138	1.9
99.04430	0.9
99.08099	5.0
105.07034	10.6
107.04922	1.6
107.08601	5.6
109.02859	2.8
109.06487	2.2
109.10136	3.3
111.08041	2.2
113.09643	0.7
115.05407	0.9
117.03334	0.9
117.06991	2.1
119.04936	1.2
119.08588	6.7
121.02877	1.1
121.06494	1.8
121.10165	3.8
123.08027	1.4
123.11665	2.0
125.09595	1.5
127.03938	4.4
128.06174	1.7
129.07027	4.3
131.04974	1.0
131.08524	1.8
133.06454	0.5
133.10139	4.1
134.03651	3.4
135.08072	1.1
135.11693	2.5
137.02316	0.8
137.05959	1.7
137.09593	0.7
138.03067	1.6
139.11134	1.2
141.06979	1.1
143.08562	2.0
145.10141	3.1
147.04387	1.8
147.08070	1.1
147.11693	10.3
149.09631	0.8
149.13246	2.4
151.03821	0.7
151.11194	2.4
153.05472	9.7
154.02580	0.7
157.02814	0.9
157.06427	0.7
157.10132	1.1
159.11700	1.5
161.05991	1.0
161.09567	0.9
161.13277	3.7
163.03868	0.6
163.11220	0.9
163.14836	0.8
165.12732	2.4
167.07063	2.5
167.14241	0.7
169.06490	0.7
171.08054	0.5
171.11678	4.6
172.05144	0.7
173.13283	0.9
175.03899	2.7
175.07562	1.0
175.11124	0.8
175.14859	0.7
177.05487	1.2
179.07036	0.6
179.14308	0.6
185.13171	0.6
186.06717	1.2
187.07544	1.6
189.09134	0.9
189.12711	1.5
191.11800	0.8
197.05949	1.5
199.03905	2.1
199.07614	1.0
201.09097	0.9
203.07030	0.9
205.08620	1.0
207.06532	2.3
207.13811	5.3
211.03897	1.0
213.05540	0.9
214.06136	0.8
215.07054	1.7
225.05490	1.5
228.04199	0.7
229.05127	0.6
229.08656	0.7
235.07503	0.6
241.04924	1.8
242.05754	2.4
243.06425	1.2
253.04945	3.4
259.20560	0.8
259.26364	0.5
262.06290	0.6
270.05209	5.7
276.82764	0.6
277.08517	1.0
277.21606	5.5
281.04324	3.3
282.05109	0.6
283.05872	1.0
289.07114	3.8
295.22778	0.7
297.07452	0.8
298.04721	13.9
309.11816	0.8
313.07068	100.0
314.07443	3.1
323.09204	0.6
324.66592	0.7
337.10782	2.3
339.12387	0.9
351.11804	0.9
351.25485	1.0
354.10980	0.7
369.13351	71.4
369.26285	3.6
370.13721	1.7
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	Isoglycycoumarin
Peak:m/z	Relative Intensity
53.98266	0.4
55.01870	0.7
55.05479	2.0
67.05492	4.0
69.03403	0.6
69.07037	2.1
70.06574	0.7
70.46040	1.7
71.04991	0.5
79.01854	13.3
79.05498	4.5
81.03397	1.4
81.07065	2.8
83.04945	0.7
83.08588	1.0
84.08138	0.6
85.02890	0.8
91.05474	3.2
93.07050	5.4
95.04942	1.8
95.08583	2.2
96.15411	0.6
103.30097	0.5
105.07035	3.5
107.04888	0.5
107.08562	2.3
109.02858	1.2
109.06521	1.0
109.10152	1.0
115.05437	0.6
117.03390	0.8
117.06995	0.6
119.08582	3.1
121.10108	0.9
127.03867	1.5
128.06224	0.7
129.06941	2.2
131.08577	1.3
133.10123	1.6
134.03645	4.6
135.11624	0.6
141.06952	1.0
143.08514	1.1
145.10086	1.7
147.11716	2.9
148.67734	0.5
149.05923	1.2
153.05452	0.7
157.02892	0.8
157.06416	0.6
157.10143	0.7
159.11678	0.7
161.09590	0.7
161.13203	1.4
165.01767	1.2
169.06458	1.0
171.11685	2.6
175.03865	1.7
181.06575	0.5
183.04382	0.7
185.09601	0.6
186.06787	0.6
187.07492	1.0
189.12697	1.2
197.05920	1.5
197.13287	0.7
199.03905	2.5
207.13797	2.2
211.03860	1.0
213.05370	0.7
214.06192	0.8
215.07117	1.3
225.05530	1.8
228.04063	0.7
238.28200	0.5
241.05003	1.3
242.05853	2.8
243.06482	1.7
253.04974	4.1
270.05255	4.9
271.06079	1.3
281.04468	2.8
281.07333	0.5
283.06039	0.6
289.07047	4.2
297.07584	4.0
298.04736	15.9
299.05359	0.9
313.07056	100.0
314.07596	2.7
354.10901	0.6
369.13333	72.4
369.23447	3.7
370.13638	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	368.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72551	20.0
55.05495	20.5
67.05503	48.8
69.07068	29.6
70.19688	82.6
79.05489	40.0
81.07069	35.9
85.74522	18.8
91.05489	59.3
93.07031	58.5
95.08612	68.3
98.20811	22.9
105.07046	56.5
107.08567	53.7
110.10500	20.0
113.43589	22.7
119.08584	46.7
120.08913	23.9
125.30121	20.1
133.10153	37.9
134.10442	28.4
145.10085	41.1
146.10507	24.9
161.09644	29.5
171.11589	24.7
229.83965	21.9
237.61115	20.5
248.01675	21.0
264.89993	21.1
368.42422	100.0
369.24173	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	369.1333
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
51.01221	0.3
56.30495	0.3
67.05466	0.6
69.03399	0.3
79.05456	0.4
81.07018	0.4
91.05439	0.3
95.08598	0.3
98.21457	0.6
99.75625	0.3
105.06934	0.4
106.04171	0.5
131.08420	0.3
134.03632	2.3
143.08557	0.4
151.03780	0.3
165.01804	0.9
185.09612	0.3
195.11444	0.3
213.05438	0.8
214.06223	0.6
241.04916	4.1
242.05843	1.7
253.05098	0.4
256.03461	0.3
269.04446	1.0
270.05240	4.0
285.07739	0.3
297.04010	0.7
297.07538	1.3
298.04733	39.0
299.05029	0.7
309.07547	0.3
313.07071	100.0
314.07397	2.3
336.10016	0.4
351.12317	4.2
351.23209	0.5
369.13370	8.9
369.17773	0.6
369.24115	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	368.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08375	1.6
55.05509	8.7
56.05029	2.2
56.20883	1.3
57.07078	8.6
60.08167	22.5
65.03908	1.6
67.05511	11.3
69.07080	7.5
69.25855	6.1
69.26289	8.9
70.06591	2.5
71.08633	3.8
73.62968	1.4
74.02446	13.2
74.58053	1.4
77.71201	1.6
78.75011	1.3
79.05515	8.0
81.07070	15.4
81.59861	1.6
82.06567	2.7
83.08617	3.4
85.10194	2.0
87.55319	1.4
91.05506	5.9
91.53362	1.9
93.07053	10.2
95.08646	7.9
97.10154	1.7
100.11238	1.4
105.07045	4.7
107.08598	5.5
109.10157	4.2
114.12833	2.3
119.08585	3.7
121.10148	5.0
123.08068	1.5
133.10188	2.1
135.11713	3.5
147.11685	2.5
154.12257	4.1
154.15866	1.9
159.11633	1.7
161.13329	2.7
171.11549	1.4
180.60135	1.7
190.90335	1.4
290.24783	10.9
308.25793	9.1
308.38785	1.4
318.24313	5.1
322.27353	10.2
327.34500	1.8
336.25351	5.9
350.26813	12.1
368.27893	12.7
368.42554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01867	5.2
55.05264	1.6
55.05515	25.8
56.05024	1.4
57.03430	4.0
57.07062	1.6
57.56861	1.1
58.06602	8.2
59.04987	1.4
60.04529	28.9
67.05172	1.7
67.05508	23.1
69.03423	6.3
69.07072	15.4
70.06592	3.3
70.21577	5.4
71.05007	8.7
71.96386	1.1
72.08137	1.4
73.08331	1.2
73.26050	1.1
79.05502	23.7
80.05005	2.4
81.03412	4.6
81.07056	26.1
83.04977	2.7
83.08621	11.6
84.04493	1.9
84.08143	10.9
85.06547	4.5
86.09214	2.6
86.09711	36.0
88.07623	3.9
91.05486	12.0
93.07050	18.4
94.06596	2.9
95.04971	7.8
95.08608	10.3
96.08131	3.8
96.08942	1.7
97.06553	8.6
97.10178	23.5
98.20783	1.5
100.07626	3.2
102.03967	1.3
105.07039	13.1
106.07350	1.7
107.04951	3.7
107.08610	11.4
108.08119	2.1
108.08908	1.3
109.06524	6.8
109.10139	4.8
110.06026	3.2
111.08118	2.3
112.06829	1.7
112.07613	34.6
113.06014	3.3
114.09094	1.6
117.07030	5.3
119.08598	7.6
121.06531	3.1
121.10159	13.4
122.09688	8.6
123.08070	5.0
124.07580	2.3
125.09631	18.2
128.09782	2.5
128.10725	36.0
129.06996	2.2
130.08667	2.5
131.08557	6.8
132.08083	1.4
133.06485	1.4
133.10153	4.5
134.09663	1.4
135.08075	4.9
135.11705	4.8
137.09631	2.3
138.12781	3.1
141.06964	1.4
143.08582	1.9
145.06502	1.9
145.10123	3.4
147.08028	1.4
147.11707	2.4
148.11195	2.0
149.09668	2.5
153.05460	4.8
154.08691	8.0
156.10216	2.5
157.10127	2.9
159.08105	1.3
159.11728	3.7
161.09567	1.9
163.11137	2.3
171.10222	1.4
171.11792	1.5
172.09708	11.6
177.12758	2.1
180.13852	16.0
189.11220	13.7
195.13803	2.1
198.15002	1.5
199.07832	1.1
217.15894	1.3
221.15385	3.3
223.13313	4.5
224.16476	1.8
272.20114	1.6
273.18594	6.6
276.20435	3.7
277.21814	1.6
288.19925	1.3
290.21133	11.8
291.19489	9.3
308.22244	13.4
313.07034	1.6
332.22202	2.6
350.23297	24.2
368.24341	100.0
369.13345	3.5
369.24692	3.8
387.12982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
54.86063	0.3
55.01877	0.3
57.03445	0.5
61.02931	1.1
62.13802	0.3
62.32802	0.3
63.68066	0.3
69.03434	2.4
70.78732	0.6
72.08140	0.3
73.02946	0.3
74.05875	0.3
74.43015	0.3
81.03438	1.6
85.02907	6.5
91.03970	0.6
94.51664	0.3
95.09380	0.3
97.02885	2.0
109.02918	0.5
127.03932	1.2
132.04463	8.1
132.05414	0.6
136.36328	0.3
145.04964	1.2
160.03923	0.3
178.05011	69.9
179.05344	1.6
188.07071	0.5
206.04501	100.0
207.04843	2.1
280.66370	0.3
288.54889	0.3
306.60587	0.3
368.09592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18073	2.4
53.01425	2.9
53.03925	3.8
53.26020	2.8
55.01859	7.2
55.05517	31.2
56.05035	14.4
56.05819	3.2
57.03418	12.4
57.05811	5.8
57.07077	5.9
58.06585	4.3
60.04527	13.7
67.05174	3.2
67.05507	50.0
68.05021	4.9
68.05808	4.1
69.03415	6.2
69.07072	20.3
70.06593	7.0
71.04967	3.5
71.08629	14.5
71.30740	5.3
72.08961	3.7
76.73777	2.7
79.05068	3.7
79.05497	54.9
80.05012	14.9
80.05810	5.4
81.03403	12.0
81.07059	40.4
82.06564	8.4
82.07371	5.2
83.04966	8.9
83.08614	12.3
83.81236	2.7
84.04513	18.1
85.06520	3.1
91.05489	32.6
93.07047	43.2
94.06548	6.3
95.04967	9.6
95.06049	3.2
95.08611	26.1
96.04481	5.2
96.08144	6.1
97.06543	4.2
97.10159	20.5
98.06055	7.8
98.09679	4.3
99.06865	3.1
99.08078	9.8
105.07036	20.3
107.04947	9.9
107.08586	24.0
108.08097	7.1
109.06503	4.0
109.07628	3.2
109.10162	13.5
110.05997	5.9
110.07150	10.9
110.09694	3.7
117.07026	7.3
118.69416	2.4
119.08579	18.3
120.08106	6.8
120.08900	3.0
121.06536	4.3
121.07662	3.2
121.10147	25.6
122.09656	4.2
123.08067	4.4
124.07588	3.4
125.09617	17.4
126.09984	3.8
127.38945	2.9
129.07002	4.3
131.08582	19.4
133.10121	11.3
135.08038	4.3
135.11670	5.9
136.08691	22.5
137.09612	3.5
138.12767	10.9
145.10083	7.9
146.79555	2.6
147.11603	7.9
148.11201	9.1
149.09615	16.5
151.11147	4.4
157.10037	3.3
159.11737	6.5
161.13370	3.0
163.11209	3.7
165.81693	3.3
166.12282	40.5
171.11674	4.1
177.12804	3.4
178.12184	2.8
180.13872	3.4
182.09251	7.8
189.11192	11.1
189.12712	3.2
204.13840	5.2
206.15305	5.5
208.13330	100.0
222.14937	3.6
223.13216	7.8
224.16396	6.8
257.18930	7.9
274.21545	4.9
275.20126	24.9
276.20496	6.9
290.21243	4.9
291.19644	6.0
292.19916	4.3
292.22720	33.9
294.21457	20.8
308.22107	3.8
326.23209	5.8
350.22852	4.5
368.24377	69.4
368.31348	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	367.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91459	2.8
55.05508	19.9
57.07074	9.5
62.80862	2.9
67.05211	3.1
67.05511	30.6
69.03421	5.6
69.07071	32.2
69.82002	5.3
69.82412	11.4
71.04967	2.6
71.08642	30.7
79.05510	16.0
81.07068	50.2
83.04988	6.6
83.08609	13.1
85.06554	3.5
91.05480	20.8
93.07050	21.7
95.04968	12.5
95.08614	30.9
97.06547	7.9
99.08102	23.7
105.07040	28.6
107.05019	4.2
107.08593	23.8
108.13933	2.9
109.06532	32.6
109.10153	15.9
111.08083	5.9
117.07014	6.1
119.08589	22.9
121.06536	13.3
121.10146	11.9
121.92365	3.0
123.08011	7.0
123.11708	9.0
131.08568	8.4
133.10132	12.8
135.08049	6.0
135.11688	7.9
137.13295	3.9
139.11198	3.4
143.08603	3.3
145.10110	10.6
147.11711	14.8
151.11087	3.1
153.12698	3.0
157.10126	7.4
159.11714	8.0
161.13277	8.2
163.11136	6.7
163.14777	3.7
165.12775	57.0
173.13254	4.9
175.11166	3.9
175.14774	4.0
177.12729	9.2
179.08633	3.0
185.13162	2.8
189.16562	3.8
191.18024	3.8
209.19038	16.9
237.18613	3.6
241.30624	2.9
251.19954	3.4
288.62857	3.2
289.25241	23.5
293.21405	2.8
307.26331	7.9
317.21060	5.5
317.24786	100.0
335.25824	28.6
349.27393	62.6
349.31314	5.4
350.27756	3.6
367.25861	6.5
367.30255	6.8
386.83905	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01873	5.3
55.05512	24.8
57.03446	4.1
57.07071	11.1
59.04991	4.2
61.74285	2.9
65.03946	7.0
67.05505	44.1
69.03422	8.0
69.07072	27.0
69.61789	2.8
71.04993	6.7
71.08620	3.7
71.56685	3.7
74.63163	2.9
79.05504	40.5
80.08613	3.1
81.03433	3.1
81.07061	65.7
82.73331	2.8
83.04987	6.3
83.08620	15.2
85.02924	2.8
85.06535	9.7
91.05486	56.5
93.07049	81.4
95.04977	41.8
95.08610	56.5
95.09172	5.3
95.40657	3.0
97.06519	14.5
97.10123	3.3
103.05512	4.3
105.07035	91.4
107.08607	63.1
109.06518	12.1
109.10161	53.1
111.08096	4.7
115.05397	6.1
117.07018	24.1
119.08585	100.0
121.06503	11.2
121.10146	48.6
123.08101	10.0
123.11715	17.9
128.06221	14.2
129.07011	23.3
130.07808	9.0
131.08585	63.5
131.44749	3.0
133.10139	62.3
135.08080	18.0
135.11699	25.4
137.09660	7.2
141.06996	9.5
142.07820	22.2
143.08565	32.0
144.09319	9.2
145.06439	6.4
145.10141	81.6
146.07259	8.5
146.08456	2.8
147.08040	9.0
147.11688	22.1
149.09607	18.4
149.13245	9.4
153.06914	3.9
155.08588	17.7
156.09302	14.8
157.10141	53.8
158.10930	9.7
159.08096	7.0
159.11710	42.5
161.09627	41.0
161.13292	13.3
163.11148	5.4
163.14825	3.6
165.07048	4.8
167.08620	11.7
168.09460	4.4
169.10162	21.7
170.10947	9.2
171.08121	4.2
171.11726	26.6
172.12604	3.0
173.09642	6.0
173.13271	32.1
175.11214	8.3
175.14824	22.4
179.08623	8.8
180.09346	4.6
181.10172	13.3
182.10887	8.9
183.08058	4.4
183.11693	22.8
184.12512	3.9
185.09607	5.6
185.13261	21.1
187.14902	17.6
193.10184	5.6
194.10950	11.0
195.08047	4.9
195.11743	19.8
196.12494	6.8
197.13293	21.3
198.13940	3.2
199.11200	3.6
199.14821	13.3
201.12788	4.8
201.16353	6.6
203.10483	3.2
207.11665	6.3
208.12357	6.0
209.13284	22.7
211.11273	3.7
211.14799	10.0
213.12910	3.6
213.16418	8.6
215.14323	5.4
221.13225	5.9
223.11154	3.5
223.14917	7.9
225.16438	4.5
227.14345	13.3
229.15851	3.7
237.16385	4.7
239.17995	9.6
251.14232	4.0
251.17940	5.5
255.17505	6.1
257.18991	7.3
265.19537	5.8
267.17526	4.0
269.19034	3.1
283.20364	6.2
331.24200	4.3
349.21411	7.4
349.25116	5.7
367.22415	26.4
367.26633	14.8
367.30093	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.05513	24.7
57.07072	9.2
59.04993	2.4
65.03936	4.7
67.05510	47.7
69.03433	8.2
69.07072	26.3
69.24803	9.6
69.25226	13.1
71.04996	5.4
77.03986	2.3
79.05499	41.8
81.07062	55.8
83.04981	4.8
83.08618	9.1
85.06547	9.5
91.05484	63.2
93.07053	81.5
95.04977	35.5
95.08611	56.6
95.50726	2.1
96.08910	2.3
97.06556	13.7
97.10165	2.5
103.05485	3.5
105.04489	4.0
105.07036	95.1
107.05010	2.9
107.08604	59.3
107.32361	2.2
109.06520	20.4
109.10161	37.8
111.08083	4.5
115.05466	6.2
116.06237	3.8
117.07012	20.3
119.08590	100.0
121.06493	10.0
121.10149	46.6
123.08071	8.7
123.11726	14.2
128.06206	11.4
129.07013	20.9
130.07800	4.7
131.08577	56.2
133.10133	63.2
135.08063	12.0
135.11687	23.0
137.09558	6.0
139.11128	2.3
141.07010	9.2
142.07782	22.5
143.08575	41.6
144.09344	11.7
145.06451	3.0
145.10129	76.8
146.07315	3.3
147.08051	12.5
147.11703	22.5
149.09650	20.1
149.13307	4.0
151.11176	2.7
153.06964	4.8
154.07864	3.0
155.08522	13.8
156.09341	14.0
157.10126	54.7
158.10867	8.2
159.08066	5.0
159.11714	37.0
161.09644	40.1
161.13255	10.5
163.11189	4.9
165.07022	3.1
167.08598	9.1
168.09383	7.8
169.10121	17.0
170.10876	6.5
171.11685	27.5
172.12425	3.8
173.09633	6.7
173.13293	22.9
175.11256	7.1
175.14861	22.5
179.08583	9.6
180.09280	3.7
181.10129	12.1
182.10954	5.6
183.11699	24.8
184.12483	5.3
185.09619	5.5
185.13271	15.4
186.14017	2.7
187.11133	3.9
187.14812	14.2
189.12709	5.2
191.14273	2.8
193.10187	4.2
194.10947	9.0
195.11688	12.3
196.12419	4.3
197.13268	17.7
198.13980	3.3
199.11121	4.6
199.14854	15.1
201.12766	4.7
201.16431	8.3
207.11771	6.4
208.12576	3.3
209.13274	23.6
211.14825	11.1
213.12735	4.5
213.16388	6.3
215.14253	3.2
223.14771	7.6
225.16469	5.9
227.14301	16.7
229.15955	3.4
229.19600	2.3
235.14867	2.7
237.16356	7.1
239.17960	7.9
249.16261	3.1
253.19505	2.8
255.17497	5.4
257.19043	5.3
265.19415	4.7
269.19061	4.7
271.20444	4.3
291.21091	2.7
349.25351	12.0
367.26303	13.8
367.30179	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82019	1.5
53.03943	7.7
54.45282	1.6
55.01878	22.3
55.05262	3.1
55.05513	42.5
57.03438	20.7
57.07070	6.4
58.11089	1.7
58.15272	1.5
59.05006	2.9
60.04539	11.2
63.42431	1.5
65.03933	4.7
67.05508	100.0
69.03423	5.7
69.06709	3.0
69.07066	25.9
69.49295	12.0
69.98116	1.5
71.05006	9.1
71.08640	10.2
73.08474	1.6
79.05497	56.2
81.03414	13.2
81.07060	82.2
82.07387	2.5
83.04987	20.6
83.08621	20.0
85.02892	2.3
85.06550	8.6
85.10211	1.9
88.03985	5.7
91.05484	74.9
93.07049	49.3
95.04978	23.6
95.08611	42.0
97.02898	4.9
97.06532	10.0
97.10181	6.2
99.04441	2.9
99.08099	8.9
105.07035	62.2
106.05019	17.2
107.04884	9.6
107.08601	43.6
109.06521	11.7
109.10159	48.7
111.04475	2.3
111.08078	5.5
113.09687	3.4
117.07037	9.5
119.08598	23.4
121.06503	8.3
121.10151	16.4
123.04382	2.5
123.08053	13.3
123.11694	12.8
125.09654	11.0
127.07563	2.3
128.06271	1.9
129.07007	2.9
131.08598	15.0
133.06535	2.5
133.10138	77.8
134.10397	1.5
135.08102	8.0
135.11699	14.7
137.09625	15.1
139.11269	2.0
139.32346	1.4
141.07080	1.6
143.08549	6.4
145.10158	14.9
147.08073	4.3
147.11723	10.1
149.09633	11.5
149.13301	6.0
151.11188	43.8
153.12779	3.9
155.08528	1.6
157.10056	4.1
159.07982	1.8
159.11673	9.1
161.09546	2.9
161.13272	4.0
163.11185	14.6
163.14841	5.2
165.09134	6.6
165.12898	2.3
169.10094	3.2
169.12251	4.9
173.09689	2.5
173.13264	6.0
175.11179	1.9
177.12770	7.5
179.10709	2.0
179.14372	2.2
183.11656	2.0
188.44177	2.0
189.12807	2.1
191.10681	2.6
191.14389	2.1
193.12212	3.1
195.13715	1.8
205.12166	3.4
209.11777	3.9
229.19640	2.2
247.15533	1.7
247.20610	7.8
253.14369	4.8
257.19162	1.9
275.20059	32.6
293.21097	10.7
349.23828	5.4
367.24866	32.9
376.01758	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.9
55.01667	2.5
55.01879	32.5
55.05265	3.2
55.05515	39.8
57.03440	16.1
57.07081	2.4
65.03931	3.2
67.05510	62.9
69.03423	6.3
69.07069	42.7
71.04984	5.0
71.08626	7.5
71.10699	5.5
72.08175	2.9
79.05498	71.2
81.03427	8.5
81.07063	100.0
83.04988	9.1
83.08625	23.1
85.02878	2.5
85.06554	8.0
91.05486	55.1
93.07047	58.0
95.04981	17.3
95.08612	48.4
97.06536	36.8
97.10157	15.3
99.08097	7.5
105.04450	2.3
105.07042	55.2
107.04960	26.0
107.08599	47.3
107.22707	2.4
109.06513	16.0
109.10165	26.4
111.08097	8.0
115.05483	2.4
117.07011	15.2
119.08600	39.2
121.06519	9.7
121.10148	21.9
123.08090	7.9
123.11719	12.5
125.09629	17.3
129.07024	4.3
131.08589	22.0
133.06525	2.8
133.10139	37.1
133.11115	4.3
135.08061	9.3
135.11696	13.1
137.09608	5.4
139.11139	2.3
141.06995	3.2
143.08528	4.4
145.10130	29.6
147.08055	2.8
147.11687	25.8
149.09631	37.4
149.13255	7.4
151.11191	5.0
153.09085	2.5
155.08618	3.9
157.10158	6.5
159.11699	20.0
161.09695	3.0
161.13274	8.6
163.11154	19.0
165.09085	4.2
165.12782	5.7
169.10146	3.2
169.12129	3.0
171.10300	4.1
171.11761	6.9
173.13280	8.7
175.11209	2.9
175.14841	4.2
177.12766	8.6
179.14304	4.4
183.11664	5.6
185.13263	3.0
187.11140	3.2
187.14812	2.4
189.11235	9.4
189.12733	2.7
191.14328	4.4
197.13309	5.2
215.17999	3.4
227.12808	4.8
229.19516	7.6
239.17990	5.3
247.20605	9.2
257.19067	11.5
263.20154	3.2
275.20074	96.6
276.20264	3.9
293.21164	21.3
349.23801	37.9
367.24832	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
53.68421	3.7
55.01866	21.9
55.05513	57.2
57.03433	12.5
65.03923	4.8
67.05505	66.1
69.03422	5.2
69.07060	17.7
71.04991	9.1
71.29025	9.8
76.82148	3.6
79.05060	8.1
79.05495	100.0
81.03409	6.2
81.07059	68.0
83.04972	20.2
83.08612	19.8
85.02855	4.4
85.06526	5.7
91.05482	54.6
93.07050	57.2
95.04975	12.0
95.08617	34.3
96.48042	4.3
97.06532	17.5
97.10166	27.1
105.06382	6.8
105.07031	67.1
107.04967	37.8
107.08594	76.7
109.10147	34.3
111.08089	10.9
117.07026	15.0
119.08578	46.5
121.06509	4.6
121.10133	30.0
123.08114	7.3
123.11679	12.0
125.09631	19.1
131.08600	24.7
133.10159	34.3
135.08012	13.7
135.11656	8.0
143.08575	9.3
145.10114	23.8
147.11699	24.9
149.09628	67.7
149.13307	5.2
155.08623	6.5
157.10138	8.9
159.11757	14.4
161.13271	8.0
163.14854	7.6
165.48874	4.4
169.12328	7.0
171.11668	8.8
173.13330	8.7
185.13232	6.7
189.00774	5.3
189.11209	16.4
225.25230	5.0
227.12756	10.1
229.19501	12.1
245.13957	6.7
247.20547	6.1
257.18939	21.4
275.20087	76.7
307.24628	5.4
349.23813	46.3
367.11526	5.8
367.22705	5.6
367.29971	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01876	6.6
55.05271	2.0
55.05513	24.5
57.03445	8.0
57.07051	1.4
61.02934	8.3
65.03958	1.3
67.05513	19.6
67.49570	1.2
69.03416	4.4
69.06737	1.8
69.07078	25.4
70.80942	1.5
70.81293	2.9
71.08638	24.4
72.93787	1.3
73.02904	4.0
79.05492	16.1
79.35461	1.2
81.03390	3.8
81.06648	1.6
81.07062	18.9
83.04968	4.2
83.08589	5.9
85.02908	7.6
85.06558	1.6
86.03294	1.2
91.03978	6.4
91.05489	7.5
93.07045	13.1
95.04985	5.7
95.08612	11.4
97.02880	4.3
97.06538	2.0
97.10198	8.0
99.07512	1.2
99.08104	19.3
105.07012	4.8
105.78083	1.4
107.04961	2.5
107.08591	8.5
109.06522	3.9
109.10172	8.0
117.06986	2.3
119.08575	4.0
121.06534	2.1
121.10159	5.7
123.08097	1.5
123.11715	1.4
125.09674	7.2
127.03926	1.6
130.99991	1.5
131.08569	1.6
133.10132	1.8
135.08046	2.7
135.11679	2.7
139.11154	2.9
140.98453	1.2
145.10149	2.8
147.11604	2.1
149.09612	1.9
149.13211	1.7
151.11191	1.5
155.00082	1.8
157.01518	1.4
159.11748	2.9
161.09587	1.4
163.11230	1.6
164.98466	1.5
167.10652	2.7
176.96907	1.6
177.12704	1.5
189.11255	3.4
231.50400	1.2
239.84175	1.2
247.20558	2.0
275.20111	8.4
289.63522	1.2
293.21118	100.0
294.21494	2.7
334.15430	3.0
367.24896	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64949	3.0
51.34439	3.1
53.03932	4.8
53.23277	2.7
55.01865	11.9
55.05302	2.7
55.05517	34.2
57.03444	15.9
57.03670	2.6
57.07082	3.2
65.03947	4.6
67.05170	5.2
67.05507	63.1
69.03413	9.0
69.06777	2.8
69.07076	33.2
70.10480	10.3
70.10876	5.3
71.04971	5.3
71.07011	2.5
71.08611	3.7
79.05499	49.9
81.03423	14.5
81.06578	5.5
81.07059	100.0
83.04977	16.2
83.08620	12.8
85.06545	6.7
91.05488	44.6
93.07053	36.3
95.04976	10.4
95.08620	34.8
97.06545	14.6
97.10153	5.0
99.08092	5.5
105.07037	44.4
107.04951	11.4
107.08604	30.1
109.06535	11.8
109.10156	16.6
111.08083	6.1
117.07024	16.6
119.08584	29.4
121.06510	7.0
121.10139	20.7
123.08109	5.1
123.11669	6.3
125.09576	5.1
128.06128	3.6
129.07001	8.1
130.07756	3.6
131.00096	3.1
131.08568	24.0
133.10158	26.0
134.84627	2.9
135.08018	7.4
135.11684	10.5
137.09602	8.5
141.06975	5.0
143.08551	6.9
145.06526	3.7
145.10121	15.1
147.08070	3.4
147.11681	20.2
149.09671	13.8
149.13275	6.4
153.06992	4.5
155.08582	7.0
157.10188	7.6
159.08083	3.8
159.11758	9.1
159.60854	2.9
163.11157	7.5
165.07048	3.4
165.12784	7.4
165.39822	2.7
166.07774	3.3
167.06972	5.1
167.08386	2.7
169.10138	3.3
171.11716	5.7
173.13228	4.9
175.11224	3.5
179.08636	4.5
179.14270	3.5
181.10078	8.6
183.08067	4.6
183.11739	5.7
187.11179	3.0
193.10083	3.9
195.08011	4.9
195.11685	6.3
195.13676	3.1
197.09761	4.1
197.13231	5.2
209.09718	3.8
211.11285	6.6
223.11195	4.1
223.14828	3.6
227.12727	3.0
229.19510	5.4
235.17087	2.9
247.20592	5.9
257.19016	9.7
275.20059	56.9
278.77411	2.7
293.21063	13.6
339.23029	6.0
349.23758	10.8
367.22888	36.8
382.39902	2.8
385.17200	2.7
394.35675	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	367.2481
Annotation	15-methyl-15R-PGE2
Peak:m/z	Relative Intensity
53.03942	2.8
54.15141	1.5
55.01874	9.2
55.05516	29.8
56.82198	1.5
57.03443	14.7
57.07080	2.3
67.05508	47.2
69.03432	3.6
69.07077	20.1
71.05000	2.9
71.08632	22.5
72.08165	2.5
79.05495	34.0
81.03417	4.6
81.07062	42.5
83.04990	13.8
83.08634	14.3
91.05472	24.9
93.07051	33.5
95.04974	9.8
95.08608	26.7
97.06531	10.8
97.10178	11.8
99.08102	16.5
105.06388	2.7
105.07041	34.1
107.04955	7.6
107.08595	24.6
109.06504	11.2
109.10167	15.6
109.98119	1.6
111.08060	3.2
117.07024	11.8
119.08595	19.8
121.06514	10.6
121.10127	12.4
123.08080	5.1
123.11727	3.1
125.09633	7.9
129.07001	5.1
131.08563	20.2
133.06451	2.3
133.10141	19.7
135.08032	6.8
135.11705	7.0
137.09618	5.1
139.11197	6.3
140.98450	2.4
141.07063	2.3
143.08545	4.7
145.06468	2.1
145.10112	16.8
147.08081	4.0
147.11700	10.6
149.09608	6.8
149.10709	2.0
149.13268	5.6
151.11171	8.0
155.08603	2.9
157.10173	5.3
159.11697	12.9
161.09634	5.0
161.13278	3.5
163.11140	8.4
165.12749	1.9
169.10124	2.5
171.11736	3.5
173.09695	3.9
173.13252	6.4
175.11139	3.2
177.12813	4.3
183.11806	2.7
187.11150	2.5
189.00612	3.5
189.11206	4.0
197.13216	2.7
201.12773	4.2
203.14426	2.0
207.13795	3.0
208.13406	2.2
219.13770	2.6
239.17984	3.1
247.20578	3.6
257.19006	14.7
275.20074	100.0
276.20367	3.0
293.21082	38.2
349.23798	25.5
367.24969	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01878	16.0
55.05520	28.7
57.03443	20.0
59.05006	2.2
60.46606	1.9
65.03933	4.5
67.05511	61.9
69.03436	6.7
69.07072	38.1
71.04997	4.8
71.20657	3.0
79.05495	48.4
81.03405	5.1
81.07063	100.0
83.04993	9.9
83.08627	14.7
85.06549	4.0
91.05482	39.7
93.07051	43.9
93.07624	3.8
95.04987	13.8
95.08611	45.5
96.94757	1.9
97.06541	22.1
97.10183	8.2
105.07034	39.4
107.04958	11.5
107.08598	31.5
109.06521	12.0
109.10157	19.8
111.08088	5.9
117.07023	15.6
119.08584	30.4
121.06519	4.4
121.10151	17.4
123.08059	7.5
123.11694	7.4
125.09651	10.4
128.06201	2.6
129.07034	5.7
130.19046	2.3
131.08577	19.1
133.10147	28.4
135.08043	8.4
135.11652	10.6
137.09631	4.2
143.08597	3.8
144.60893	2.3
145.10143	16.4
147.11708	20.8
149.09621	13.9
149.13292	8.5
151.11215	2.5
153.05515	6.4
157.10156	4.0
157.19516	2.3
159.11653	12.2
161.13300	7.8
163.11234	11.0
165.12788	3.8
169.10066	2.6
171.10167	4.6
171.11638	2.8
173.13342	4.6
177.12686	4.0
179.14336	3.0
183.11685	4.2
189.11227	7.0
227.12865	4.5
229.19513	4.8
239.18056	4.8
247.20558	4.5
251.20049	2.2
257.19070	11.1
269.17398	4.9
275.20087	57.4
293.21124	8.7
298.14557	2.6
349.23898	21.4
367.24979	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
54.58839	1.7
55.01878	10.2
55.05513	52.0
57.03436	22.3
57.07080	2.7
59.05004	2.6
59.98162	1.6
65.03928	2.9
67.05510	62.1
67.44440	1.7
69.03429	5.7
69.07066	20.6
69.95012	9.1
71.04987	4.0
71.08635	54.5
79.05495	44.5
81.03418	6.7
81.06581	2.8
81.07057	54.3
82.58082	2.0
83.04965	10.2
83.08623	21.1
85.02902	2.4
85.06535	5.1
86.76532	2.3
91.05479	24.4
93.07053	31.0
95.04970	13.9
95.08613	27.3
97.06533	5.2
97.10174	27.3
99.08099	41.9
105.07035	21.3
107.04963	6.4
107.08601	26.9
109.06534	7.2
109.10162	18.8
110.07119	2.0
111.08092	3.8
117.07061	9.7
119.08611	15.6
121.06494	4.9
121.10143	8.8
123.08080	4.3
123.11704	4.7
125.09631	25.5
128.06172	2.3
129.07063	4.1
131.00024	2.7
131.08537	10.3
133.10127	15.1
135.08072	8.0
135.11710	7.2
136.08690	4.3
137.05963	2.6
137.09634	3.1
139.11171	4.9
143.08578	3.2
145.10120	8.7
147.11705	4.2
149.09579	4.7
149.13304	4.6
151.11205	4.9
153.09042	3.8
157.10126	6.3
159.11703	6.2
161.09669	2.2
163.11200	4.7
165.12794	7.8
167.08606	2.2
171.10211	1.9
171.11684	2.0
173.13277	4.9
177.12819	6.3
181.10217	2.3
182.09261	2.5
187.14816	1.9
189.00609	2.9
189.11232	16.3
191.14209	2.1
195.13832	2.3
197.13297	4.9
203.02213	2.7
208.13330	5.2
211.15007	2.1
229.19579	3.0
247.20541	3.3
257.18979	3.4
267.15869	3.2
275.20074	24.9
293.21118	100.0
294.21375	2.9
313.21762	2.9
315.26996	2.1
349.14313	2.8
367.25201	22.8
368.24280	5.6
368.70255	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01868	4.3
55.05266	1.7
55.05514	22.2
57.03447	9.0
57.07055	1.5
57.27384	1.0
66.34914	0.9
67.05509	24.5
69.03416	4.1
69.07071	17.7
69.79342	2.4
69.79758	3.3
71.04993	1.4
71.08634	39.6
72.08160	2.0
75.27998	1.2
79.05499	16.2
81.03423	8.2
81.07057	20.3
83.04975	4.5
83.08622	7.8
85.02887	1.1
85.06551	1.2
91.05473	8.5
93.07052	12.6
95.04980	8.4
95.08611	11.7
97.02919	1.1
97.06521	2.6
97.10175	10.8
99.07495	1.9
99.08100	29.2
105.07029	8.0
107.04942	2.8
107.08601	11.4
109.06505	2.7
109.10155	6.8
111.08089	3.0
117.06993	3.4
119.08553	5.6
121.06494	4.2
121.10164	3.6
123.08083	1.5
123.11768	1.2
125.09643	9.8
130.99982	1.1
131.08569	3.4
133.10158	4.5
135.08028	3.4
135.11661	2.4
136.08751	1.6
139.11179	1.7
141.09126	1.1
143.00026	1.0
143.08618	1.1
145.10118	3.6
145.96396	1.1
147.11679	2.7
149.09613	3.1
149.10709	1.5
149.13237	3.8
151.11188	2.5
153.05490	1.4
157.10165	2.0
159.11678	2.3
163.11177	1.3
165.12761	1.8
167.10695	2.5
177.12744	3.0
189.11230	6.4
193.12253	1.3
195.13943	1.4
237.28061	0.9
257.19012	1.3
271.06308	2.0
275.20090	11.5
293.21115	100.0
294.21429	2.3
349.14517	1.6
349.23627	1.3
367.24841	29.6
368.25027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.3
55.01878	47.9
55.05519	42.5
57.03448	16.8
57.07070	3.5
58.46414	3.6
61.02927	4.7
66.80244	3.6
67.05511	68.2
69.03457	4.1
69.07078	46.3
69.96336	17.0
71.05001	3.9
71.08605	4.2
78.84687	3.5
79.05502	59.9
81.03419	18.6
81.07071	81.8
83.04983	15.2
83.08630	16.1
83.70448	3.3
85.02898	4.8
85.06542	5.5
91.05484	58.5
93.07050	58.4
95.01340	5.8
95.04981	23.4
95.08618	59.2
97.02879	4.4
97.06541	70.3
97.10181	10.9
98.20728	3.4
99.08090	6.2
105.07034	71.2
107.04963	29.1
107.08615	32.8
109.06532	11.8
109.10181	21.5
111.04451	3.6
111.08094	6.1
117.07030	19.8
118.98068	4.9
119.08588	35.5
121.06499	9.5
121.10162	16.3
123.08085	10.0
123.11710	4.3
125.09639	17.0
128.65643	3.9
129.07063	5.3
131.08592	21.6
132.99522	4.7
133.06505	5.1
133.10146	49.8
135.08072	7.4
135.11679	10.9
137.09657	17.1
143.08586	7.5
145.10158	27.9
147.11696	16.6
149.09648	24.0
149.13257	7.0
151.11195	10.3
157.10104	6.9
159.11742	20.5
161.13251	6.5
163.11249	14.2
165.09215	7.0
165.12766	4.3
169.10184	3.9
171.11742	5.5
173.13281	5.7
177.12794	11.0
179.14314	14.4
183.11667	5.3
187.11211	5.0
189.12814	4.7
229.19475	5.6
247.20520	8.6
257.19098	7.0
275.20062	100.0
293.21204	11.7
349.23837	32.7
367.12094	9.7
367.25195	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
53.38952	1.6
55.01877	4.5
55.05516	2.3
57.03450	3.4
67.05502	3.4
69.03433	6.5
69.07064	2.5
70.06588	11.9
71.54358	3.0
72.08163	17.2
81.03413	3.3
82.06607	1.9
84.04490	2.2
84.08141	7.9
85.02904	5.9
86.09710	7.3
87.91387	1.7
89.33749	1.9
91.05466	5.9
95.01334	30.4
95.04984	2.2
97.02892	4.4
103.05472	6.0
105.03397	2.0
105.07044	11.4
107.04946	4.0
109.02853	2.5
110.07156	2.5
113.02364	12.8
114.56763	1.9
115.05463	7.9
117.07019	6.3
119.04948	1.8
120.08123	4.5
121.06536	2.1
121.08405	2.0
123.04457	2.1
124.07591	2.2
128.06210	9.4
128.07080	4.2
129.07039	3.7
129.10281	1.8
130.05016	2.1
131.04951	12.1
131.86752	1.6
133.06503	10.0
135.04436	1.9
136.07597	2.7
141.06960	4.2
143.08583	4.2
144.05753	2.8
145.06519	9.3
147.04416	6.8
147.08139	3.0
147.09164	11.1
148.05159	3.3
149.06000	4.2
152.06148	3.2
153.07007	4.1
156.05710	2.4
157.06439	4.8
159.04457	2.9
160.05179	4.1
161.05974	11.4
163.09761	1.9
165.05495	3.2
167.07062	24.2
169.06485	4.6
170.07237	2.8
171.08037	7.5
172.05191	3.0
173.06027	5.8
175.07486	3.6
176.04752	5.0
177.05519	7.5
179.07156	2.2
181.05008	2.0
181.06503	2.6
184.05237	5.7
185.06000	7.0
187.07582	3.7
189.05490	3.4
190.06256	4.9
191.06999	10.3
193.08624	20.5
194.05753	5.0
197.06035	2.8
198.06804	2.4
199.07645	11.0
201.05530	4.8
203.07043	2.6
205.08492	3.5
207.06567	5.0
208.07582	2.0
209.08159	9.0
212.04700	3.4
213.10399	2.2
215.07100	3.6
217.08575	3.6
218.05904	2.0
219.06514	3.6
221.08136	4.0
227.07051	15.0
227.11786	3.3
231.06622	3.6
231.10127	3.1
233.08116	6.2
243.06638	2.3
244.07370	2.7
245.08109	3.3
251.09097	2.4
259.09711	9.2
261.07510	4.2
281.15030	14.4
282.05234	2.0
287.09201	3.7
295.06247	2.4
305.10226	11.5
321.09625	2.1
323.11295	100.0
324.11609	2.7
339.10684	2.0
367.10452	4.0
367.18381	2.7
382.75244	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	367.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62228	0.1
69.67354	0.3
69.67766	0.4
80.94181	0.1
82.99408	0.1
82.99876	0.3
101.00888	1.4
119.01931	7.4
119.51131	0.1
122.85550	0.1
134.99907	0.7
137.02971	2.2
140.98843	0.3
142.03474	0.1
153.00960	0.3
156.20418	0.1
158.99913	0.9
165.99654	0.2
175.03064	0.3
177.00967	19.4
178.01108	1.0
179.00584	0.1
182.99948	0.4
193.04105	0.5
195.02046	0.3
200.02573	0.3
201.00946	1.1
216.98999	0.1
217.04105	3.1
217.99037	0.1
219.02025	24.9
220.02187	1.0
221.01747	0.3
225.00879	2.3
225.03033	0.1
226.01044	0.2
233.03598	0.3
234.00702	0.2
234.43559	0.1
235.00061	0.6
236.00117	0.5
236.99849	0.3
242.03583	0.4
243.01994	7.3
244.02249	0.3
253.01152	0.2
254.01073	0.2
256.95090	0.3
259.00049	1.1
260.00168	1.2
260.04688	0.3
261.03076	100.0
262.03220	4.5
263.03406	0.6
266.03568	0.3
275.04605	1.7
277.01044	1.1
278.01123	1.1
279.00891	0.5
282.99951	1.9
284.00162	2.5
284.04675	3.1
284.99863	1.0
285.04825	0.2
286.00110	0.2
301.01056	3.0
302.01187	4.7
303.00882	1.6
304.01071	0.2
319.02188	0.2
320.02155	0.3
324.94113	0.2
325.00937	0.2
326.01050	0.3
342.95215	0.5
343.02054	0.4
344.02292	2.2
345.02023	0.1
357.75665	0.1
362.03177	0.5
363.51224	0.2
364.01019	0.3
364.51236	0.2
367.01932	0.7
372.51761	0.1
373.01572	0.3
382.99844	0.2
385.03207	4.8
386.03271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.1
57.03449	0.4
59.14240	0.4
60.04528	63.6
63.62012	0.4
65.03934	0.4
67.05168	0.8
67.05509	10.5
69.06767	0.3
69.07075	2.7
69.87986	1.6
70.02962	2.0
71.04984	0.6
71.49840	0.4
74.15105	0.5
79.05498	11.2
81.06578	0.8
81.07059	10.3
83.04983	0.4
83.08616	1.5
85.10015	0.4
88.03997	33.2
91.05489	5.7
93.06476	0.9
93.07049	13.6
95.04972	1.1
95.08608	7.6
97.06562	0.6
98.20793	0.5
98.62737	0.5
105.07044	3.8
106.05033	100.0
107.08595	6.3
109.06518	0.4
109.10169	3.8
117.06995	1.6
119.08588	3.1
121.10151	5.3
123.11732	1.7
131.08568	2.8
133.10117	2.5
135.11708	3.2
143.53035	0.5
145.10127	1.5
147.11679	1.5
149.13251	2.2
149.36469	0.5
154.40775	0.4
159.11719	1.3
161.13243	1.3
163.14816	1.4
170.49731	0.4
173.13242	1.7
177.16464	0.5
187.14813	0.7
233.22598	0.6
240.34293	0.4
243.21040	1.8
257.11758	0.4
261.22150	6.1
348.25333	1.0
366.26239	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	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14297	3.1
55.01883	4.2
55.05502	8.6
56.05027	4.0
60.04531	30.3
67.05505	21.9
69.07060	6.7
69.32572	28.0
70.06589	14.4
71.04997	31.5
72.08151	10.0
79.05496	7.7
81.07058	24.5
83.04992	4.1
84.08132	5.5
85.02907	9.3
85.06554	39.0
86.09696	10.3
91.05483	18.5
93.07046	12.7
95.08592	10.1
96.08154	3.2
97.02893	7.6
97.06544	4.9
97.49221	2.9
103.94058	3.2
105.07054	16.0
107.08608	12.5
109.02908	3.7
109.06495	4.3
109.10162	23.9
119.08523	3.4
120.08123	7.2
123.11718	5.9
130.94633	3.2
131.08554	3.6
133.10153	47.1
135.11775	4.9
138.05576	3.9
140.07132	3.5
141.05534	3.9
142.08704	3.6
151.11223	31.9
169.12228	40.7
173.12964	3.5
187.13289	100.0
187.14966	5.6
222.07573	3.9
243.14105	7.4
322.19519	3.8
330.17270	4.2
366.11557	4.0
366.22485	12.6
366.28619	22.3
366.74838	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	366.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.3
55.05518	36.5
56.05018	13.6
57.03422	6.3
57.07064	8.0
58.06600	6.6
60.17311	5.6
65.03927	6.0
67.05171	8.2
67.05505	96.1
68.04995	6.7
69.07069	44.7
69.54705	37.5
70.06580	9.5
72.08144	15.5
72.37988	5.3
74.02444	93.3
79.05489	66.3
80.05029	27.5
81.07063	96.1
82.06606	26.2
83.08611	12.8
84.04461	5.3
84.08147	15.4
85.06567	5.7
91.05486	71.2
93.05789	13.8
93.07035	74.1
94.06590	27.6
95.04955	13.6
95.07349	7.3
95.08607	65.3
96.08130	7.1
97.06523	15.6
97.10126	7.3
105.07037	76.0
106.06571	6.7
107.08590	60.9
108.08112	17.8
109.06465	8.3
109.10147	30.0
110.09696	10.5
112.07602	7.2
112.11240	11.7
117.07012	20.4
119.08585	36.6
120.08081	7.2
121.10141	33.8
122.09650	18.9
123.08006	7.4
123.11694	13.7
125.09624	6.5
129.06999	8.6
131.08604	28.2
133.10124	30.0
134.09651	7.1
135.08055	12.9
135.11673	8.7
141.81352	5.1
142.08638	6.0
145.10083	16.8
147.11693	22.9
149.13261	9.8
150.12794	5.5
153.83282	6.3
157.10132	8.9
159.11705	20.2
161.13261	11.2
163.11174	7.8
171.11746	11.0
173.13298	13.9
175.14885	6.9
183.11737	9.2
185.13155	6.8
187.14909	9.9
200.16382	12.6
248.20201	9.4
250.17903	6.3
250.38283	6.5
271.20447	8.9
288.23294	44.3
290.21072	9.5
291.22989	6.8
298.21606	11.5
299.19992	7.6
303.23172	11.3
306.24265	62.0
316.22720	20.1
320.25903	51.6
330.23972	8.3
334.23734	51.1
348.25397	71.3
366.26303	100.0
366.33554	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	366.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80268	0.8
54.38840	0.8
60.04527	21.1
67.05508	0.9
69.07063	1.9
69.34366	6.7
70.02953	1.9
70.06577	2.8
72.04502	1.0
72.08138	2.5
81.03407	1.5
81.07047	1.6
84.04510	1.0
84.08147	1.5
84.34657	0.8
85.02896	1.6
86.09707	74.0
86.51548	0.8
87.05593	16.4
91.05463	1.9
92.04994	1.0
93.07016	1.4
97.02872	1.0
103.05462	1.3
117.87267	0.9
118.06537	3.1
120.08112	36.8
126.09190	1.2
128.10727	10.0
131.04906	1.0
132.08095	1.4
132.10123	1.2
134.09677	1.3
136.06161	4.9
137.05762	1.3
144.08018	1.7
147.04166	0.9
162.07996	0.8
162.09116	4.5
166.08647	14.1
173.12862	100.0
175.07872	1.2
201.12352	23.8
202.15933	1.1
207.11284	6.4
213.35245	0.9
219.13277	1.2
230.15378	4.3
235.10611	1.4
274.15234	0.9
279.16925	1.6
292.19061	10.3
366.22949	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	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14297	3.1
55.01883	4.2
55.05502	8.6
56.05027	4.0
60.04531	30.3
67.05505	21.9
69.07060	6.7
69.32572	28.0
70.06589	14.4
71.04997	31.5
72.08151	10.0
79.05496	7.7
81.07058	24.5
83.04992	4.1
84.08132	5.5
85.02907	9.3
85.06554	39.0
86.09696	10.3
91.05483	18.5
93.07046	12.7
95.08592	10.1
96.08154	3.2
97.02893	7.6
97.06544	4.9
97.49221	2.9
103.94058	3.2
105.07054	16.0
107.08608	12.5
109.02908	3.7
109.06495	4.3
109.10162	23.9
119.08523	3.4
120.08123	7.2
123.11718	5.9
130.94633	3.2
131.08554	3.6
133.10153	47.1
135.11775	4.9
138.05576	3.9
140.07132	3.5
141.05534	3.9
142.08704	3.6
151.11223	31.9
169.12228	40.7
173.12964	3.5
187.13289	100.0
187.14966	5.6
222.07573	3.9
243.14105	7.4
322.19519	3.8
330.17270	4.2
366.11557	4.0
366.22485	12.6
366.28619	22.3
366.74838	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
53.03941	0.6
55.01859	0.6
55.05520	4.3
57.03429	1.5
57.07071	2.4
57.61180	0.6
59.78250	0.5
64.98017	0.6
65.43469	0.5
67.05510	5.2
68.49877	0.5
69.03416	0.9
69.07072	4.9
69.85960	3.0
71.04989	0.9
71.08626	1.5
75.95363	0.6
79.05504	4.0
81.07063	7.0
83.04961	1.0
83.08599	1.4
85.06541	2.1
91.05450	2.6
93.07064	4.9
94.80851	0.5
95.04969	2.2
95.08601	4.8
97.06541	2.2
97.10204	0.7
98.21445	0.9
105.07035	3.4
107.08622	4.6
109.06531	2.6
109.10163	2.8
111.04478	1.0
111.08090	0.9
113.06026	0.5
114.98423	0.5
117.07013	1.4
119.08578	2.8
121.10168	2.5
121.10912	0.6
123.08065	6.2
123.11729	0.7
124.08826	1.0
125.06011	1.1
127.54398	0.6
129.06923	0.6
131.08556	1.5
133.10130	2.2
135.08090	1.7
135.11722	2.3
137.05989	1.5
137.09618	1.3
138.06735	0.5
143.08572	0.8
145.10129	1.7
147.11743	1.1
149.09615	1.0
151.07552	3.9
151.11201	0.9
152.08302	3.4
157.10150	1.0
159.11668	0.9
161.09622	0.8
161.13263	1.2
163.11223	0.6
165.09131	14.3
165.12779	1.0
166.09880	1.4
169.10190	0.5
171.11633	1.1
173.13243	0.7
175.11180	1.0
177.09113	0.6
179.10738	2.6
185.13295	0.7
187.14804	0.6
189.11163	0.7
193.10303	0.5
193.12231	1.6
195.11739	1.2
195.13799	1.1
199.14738	0.7
208.14627	1.3
221.15454	3.3
221.18825	0.6
249.18581	0.7
263.20172	1.5
273.18512	1.2
291.19559	2.8
305.24780	5.6
319.26367	5.1
347.25845	51.3
348.26205	1.2
365.26941	100.0
366.27362	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.1
55.01876	8.6
55.05512	2.2
56.67359	1.0
57.03446	5.7
61.02925	4.9
62.02072	0.9
64.93866	1.0
68.99797	2.4
69.03430	40.0
70.68636	3.0
71.04996	5.8
73.02934	5.8
81.02984	1.8
81.03422	24.3
81.07063	1.6
82.17963	0.9
83.08594	1.1
85.02909	100.0
87.00834	43.8
91.03941	1.1
91.05441	1.2
93.07050	1.2
95.08586	1.4
97.02896	29.5
99.04455	13.0
102.06086	1.0
103.03976	1.2
105.01873	64.6
107.08534	1.3
108.04442	3.0
109.02882	28.5
110.07143	2.3
111.08118	1.1
115.03940	1.2
117.01858	3.3
123.08044	1.2
127.03923	66.5
129.01826	3.8
136.06201	30.0
137.06543	1.3
139.07495	1.0
141.09155	2.2
145.04965	31.8
147.02939	1.9
151.07555	1.2
151.85805	1.1
159.02908	14.9
185.77895	1.0
189.03944	2.8
209.11757	4.1
213.03828	2.4
225.85332	1.1
231.04979	15.9
248.07787	1.4
249.06023	2.5
295.11823	4.9
324.82718	1.0
348.20078	2.7
366.21225	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	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.35115	0.4
53.03955	0.8
53.49336	0.5
55.01886	1.2
55.05518	4.4
55.98888	0.4
57.03433	1.1
57.07080	7.1
60.04535	2.1
65.03925	1.0
67.05506	7.1
69.03442	1.5
69.07063	3.4
71.05003	1.1
71.08672	0.8
71.55993	0.5
79.05492	5.3
81.07072	6.6
81.85276	0.5
83.04985	1.8
83.08650	1.6
85.06551	4.5
88.04015	0.7
91.05482	7.7
91.05985	0.6
93.07056	7.8
95.04973	8.6
95.05541	0.6
95.08614	8.4
97.02920	0.6
97.06559	2.0
97.10184	0.9
103.05527	0.8
105.07033	8.5
106.05014	3.5
107.04964	0.6
107.08598	7.4
109.06537	4.0
109.10182	4.8
115.05469	0.9
117.07067	2.3
119.08599	9.9
121.06559	1.4
121.10134	4.1
123.08050	6.2
123.11722	0.9
124.08913	1.5
128.06285	1.4
129.07059	2.5
130.07794	0.7
131.08569	4.2
133.06563	0.7
133.10141	5.2
135.08041	4.6
135.08800	0.5
135.11743	1.7
137.06064	0.6
137.09712	1.2
141.07022	1.0
142.07823	2.1
143.08559	4.7
144.09453	1.5
145.10132	5.8
147.08113	1.6
147.11766	1.8
149.09698	1.3
151.07520	3.6
152.08357	7.3
153.07013	1.1
154.07848	0.9
155.08554	3.1
156.09396	2.7
157.10146	7.7
158.10960	1.4
159.08162	1.2
159.11688	5.0
161.09735	1.6
161.13300	1.8
163.11359	0.6
163.14755	0.6
165.07095	1.3
165.09134	10.3
165.10468	0.6
165.12822	0.7
166.07835	0.7
166.09949	0.6
167.08635	2.0
168.09419	0.6
169.10107	3.8
170.11015	1.9
171.11707	4.8
172.08885	0.6
172.12540	0.6
173.09724	1.7
173.13283	3.0
175.11249	1.1
175.14917	0.7
177.12865	0.9
178.07950	0.9
179.08624	2.1
179.10765	2.1
179.14426	0.7
180.09488	1.3
181.10226	3.5
181.12292	0.6
182.10931	1.4
183.11710	4.3
183.13152	0.7
184.12531	0.9
185.09846	0.5
185.13269	4.4
187.11230	2.0
187.14812	2.7
192.09517	0.7
193.10144	2.6
194.11041	2.1
194.13130	4.0
195.11697	3.8
195.13684	0.6
196.12363	1.2
197.13319	3.8
198.14082	0.6
199.14922	1.3
201.12856	0.9
203.14391	0.7
205.15971	1.0
206.11079	1.8
207.11798	4.8
207.13931	2.0
208.12616	1.1
209.13292	4.6
210.13988	0.9
210.29413	0.6
211.14960	2.3
213.12782	2.6
217.10349	1.0
219.11720	0.8
221.13359	3.1
222.14041	1.5
223.14900	3.3
225.12927	0.9
225.16429	0.8
227.14276	0.7
233.13422	1.6
234.14178	0.6
235.14943	1.6
235.17007	0.7
236.15816	0.8
237.16595	1.9
238.17549	0.6
239.14575	0.6
239.18047	1.0
245.13393	0.7
247.14902	1.6
248.15678	0.8
249.16475	1.7
249.18607	1.3
250.17403	0.7
251.18050	2.0
253.16071	0.9
255.17639	0.8
261.16452	0.7
263.14493	0.5
263.17917	1.2
263.20203	3.8
265.19830	0.8
267.17609	1.1
269.19122	0.9
273.16290	0.9
277.16016	0.8
281.19000	0.6
289.19589	0.8
291.19861	0.8
307.20712	1.0
319.26544	1.1
323.24124	0.7
329.22424	0.7
347.26218	17.8
348.26321	0.8
365.27075	100.0
366.27362	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	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.8
53.03949	3.7
55.01863	2.0
55.05518	16.1
57.03433	3.3
57.07076	8.5
65.03937	4.5
67.05508	30.9
69.03428	8.0
69.07070	20.9
70.28103	4.7
71.04997	2.8
79.05500	24.4
81.07065	29.4
83.04994	4.7
83.08628	5.8
85.06569	5.8
91.05492	33.5
93.07056	34.9
95.04974	49.1
95.08615	34.7
97.06538	6.9
97.10175	3.7
98.04269	1.9
103.05476	2.1
105.06380	4.0
105.07037	44.1
107.04957	4.0
107.08610	35.7
108.71028	1.9
109.06540	11.3
109.10147	18.6
110.06112	1.8
115.05415	2.7
117.07019	15.5
119.08590	48.0
120.08916	3.4
121.06521	5.3
121.10180	16.8
121.62682	1.8
123.08076	7.4
123.11711	3.1
128.06265	5.8
129.07010	12.3
130.07834	3.3
131.08575	29.7
133.10144	21.5
135.08052	18.1
135.11722	10.8
137.05971	2.4
141.07024	7.1
142.07805	13.9
143.08571	30.0
144.09337	11.8
145.10132	32.0
147.08102	6.8
147.11697	8.8
149.09619	4.4
152.06218	2.2
153.06966	2.1
154.07733	3.7
155.08575	13.9
156.09326	14.5
156.10352	1.6
157.10143	37.8
158.10924	6.8
159.08084	5.7
159.11705	35.3
161.09619	8.6
161.13319	11.3
165.07018	7.8
166.07846	2.7
167.08588	8.4
168.09390	5.7
169.10158	22.7
170.10915	13.8
171.08055	2.7
171.11690	30.1
172.08861	3.1
172.12473	5.4
173.09639	10.6
173.13287	14.3
175.11272	5.5
179.08562	12.3
180.09369	7.9
181.10123	19.8
181.14227	2.0
182.10951	6.9
183.11716	31.5
184.12495	3.8
185.09654	3.5
185.13295	22.2
187.11185	17.1
187.14793	15.6
189.12756	4.7
191.14410	3.3
192.09352	4.2
193.10168	15.4
194.10875	10.4
195.11713	28.8
196.12520	9.3
197.09573	2.5
197.13255	20.3
198.13997	2.6
199.11208	3.8
199.14870	8.8
201.12827	4.8
203.14326	6.2
205.10181	4.2
205.15877	10.4
206.10936	11.5
207.11717	25.9
208.12431	16.1
209.09630	2.3
209.13264	27.5
210.14026	5.4
211.11278	4.1
211.14873	10.8
213.12782	14.5
213.16415	3.4
214.13542	2.3
217.10165	3.0
217.15854	3.3
218.10916	3.3
219.11697	7.6
220.12505	5.8
221.13268	20.9
222.14032	8.0
223.11371	3.0
223.14909	23.0
224.15506	3.9
225.12750	6.1
225.16415	4.8
227.14368	4.2
227.17862	2.3
229.15929	2.1
231.11740	3.4
233.13313	11.0
234.14110	5.9
235.11185	2.2
235.14818	13.4
236.15665	3.7
237.16438	14.5
238.17102	4.5
239.14316	7.9
239.18135	2.9
241.15956	4.3
243.11572	3.1
245.13280	4.5
247.14859	7.7
248.15497	3.4
249.12703	4.0
249.16347	14.1
250.16956	2.2
251.17973	13.0
253.15842	3.3
255.17349	2.3
256.18164	2.9
259.14825	4.1
261.16330	3.6
263.14578	3.3
263.18063	10.1
264.18710	5.6
265.15994	6.0
265.19513	7.7
267.17462	6.9
269.19052	7.3
273.16418	3.3
275.17917	3.1
277.15979	3.3
277.19479	3.2
279.17661	3.3
281.19037	4.8
283.20313	2.5
288.18710	2.1
289.19510	5.9
291.16980	3.9
291.19714	8.4
296.05466	2.1
299.18121	3.9
306.21585	2.5
309.18576	4.7
314.20346	2.1
319.24347	3.3
329.22665	3.5
332.21344	3.2
337.25128	2.8
347.23639	31.6
365.24792	100.0
366.25079	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	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.7
55.01875	2.2
55.05514	18.4
57.03432	2.7
57.07073	6.3
59.04981	2.9
64.46906	1.9
65.03954	2.5
67.05172	3.0
67.05508	36.0
69.03425	8.1
69.07073	15.0
70.29367	3.6
70.29731	4.1
71.05005	2.4
72.08144	2.1
73.65248	1.9
79.05501	23.9
81.07053	28.3
83.04987	5.4
83.08623	7.1
85.06541	6.5
91.05497	37.6
93.07045	37.9
95.04973	49.8
95.08612	39.1
97.06542	6.6
97.10174	4.5
103.05461	3.0
105.07039	46.0
107.04965	2.9
107.08608	32.1
109.06551	10.3
109.10160	20.2
115.05464	5.3
117.07050	13.6
119.08589	42.0
121.06509	5.5
121.10143	19.4
123.08059	7.5
123.11726	4.6
125.09593	2.2
128.06226	7.9
129.07007	13.8
130.07813	7.6
131.08574	28.2
133.06566	2.7
133.10138	26.3
135.08076	16.6
135.11671	10.1
137.09607	3.4
141.07011	6.4
142.07790	14.3
143.08580	24.2
144.09386	12.2
145.10121	31.3
147.08057	7.3
147.11690	10.5
149.09639	4.9
149.13289	2.6
153.07010	5.4
154.07785	2.9
155.08571	12.2
156.09361	11.7
157.10143	40.4
158.07187	2.4
158.10910	5.5
159.08104	4.2
159.11716	41.7
160.12112	2.1
161.09644	8.4
161.13289	9.7
165.06985	5.4
166.07813	5.2
167.08568	11.1
168.09351	5.9
169.10139	25.3
170.10919	12.8
171.11726	27.2
172.08801	3.7
172.12396	4.2
173.09630	9.3
173.13277	13.3
175.11182	4.4
175.14867	3.4
177.12755	2.2
179.08533	11.9
180.09413	7.9
181.10133	23.0
182.10970	8.6
183.08154	2.2
183.11697	30.2
184.12541	6.4
185.09677	2.5
185.13249	23.0
187.11241	15.7
187.14813	19.4
189.12807	4.7
192.09352	5.7
193.10124	18.1
194.10988	9.4
195.11740	32.1
196.12419	11.5
197.13269	20.6
198.13974	2.9
199.11290	4.8
199.14841	10.4
201.12827	6.0
201.16328	2.4
203.14331	3.3
205.10201	3.5
205.15805	8.9
206.10927	9.7
207.11699	23.6
208.12480	10.4
209.09747	2.4
209.13277	27.9
210.14067	5.3
211.11270	3.4
211.14798	10.6
213.12776	11.7
213.16328	3.5
215.14223	3.8
217.15828	3.5
219.11754	6.9
220.12471	5.1
221.13272	19.5
222.14072	6.2
223.14865	20.3
224.15587	4.8
225.12827	7.2
225.16455	7.0
227.14403	4.7
227.17960	2.5
229.16002	3.3
231.11829	3.7
232.12444	2.5
233.13205	10.2
234.14084	4.3
235.14801	14.0
236.15666	5.9
237.16388	12.8
238.17253	5.0
239.14328	4.6
239.17918	3.3
241.15993	8.2
243.11752	3.5
244.12616	2.2
245.13245	3.7
247.14886	5.5
248.15688	4.4
249.12799	2.5
249.16394	17.8
250.17123	4.2
251.14316	3.5
251.17931	13.5
253.15985	3.6
255.17462	6.2
256.18256	2.3
258.14069	3.7
259.14822	4.7
260.15710	2.5
261.12762	2.4
261.16321	5.2
263.14301	2.6
263.18021	9.3
264.18759	5.6
265.15936	6.3
265.19507	4.1
267.17523	7.8
269.19022	7.5
273.16412	5.4
275.17950	3.6
277.15909	2.9
277.19531	2.6
279.17535	2.6
281.19147	6.3
282.19830	3.4
289.19391	3.4
289.40955	1.8
291.17429	10.1
291.20050	4.0
307.20627	2.6
309.18600	4.0
314.20306	3.7
319.24356	2.3
329.22546	3.2
332.21548	2.8
337.25378	2.3
347.23709	30.6
347.27753	2.0
351.12747	1.9
365.24811	100.0
366.25446	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40177	3.4
53.03943	8.1
55.01867	16.3
55.05515	47.4
57.03439	28.0
65.03942	6.6
67.05505	77.5
68.22581	2.8
69.03431	14.1
69.07070	84.7
70.06573	6.1
71.04985	6.8
71.12778	2.9
71.55482	4.2
72.08138	6.0
79.05056	5.2
79.05491	67.3
81.03407	11.7
81.07056	72.3
83.04977	14.8
83.08617	15.7
85.02895	8.3
85.06525	3.8
91.05481	69.3
93.07050	58.5
94.73429	3.2
95.04978	23.7
95.08612	38.2
97.02903	25.5
97.06551	16.3
97.10165	21.2
97.39151	2.9
99.04479	2.8
105.07031	65.0
107.04980	18.0
107.08589	39.3
109.06496	19.4
109.10172	20.6
109.40327	2.9
111.04433	3.2
111.08076	7.3
115.05440	7.9
116.06186	2.8
117.07008	28.8
119.03265	3.1
119.08578	46.2
121.06510	11.2
121.10112	18.3
123.08044	15.0
123.11682	3.5
125.06062	6.7
125.09650	18.6
127.07607	5.9
128.06218	11.0
129.06975	19.0
130.07758	4.8
131.08563	42.6
133.06473	9.6
133.10127	31.5
135.08070	16.3
135.11665	11.6
137.05936	3.2
137.09589	10.2
139.11186	5.3
141.06964	5.9
142.96390	3.3
143.08597	30.4
145.06468	4.8
145.10120	42.7
147.08087	16.1
147.11723	15.6
149.09613	12.3
149.13268	7.2
151.11169	6.0
155.08572	4.3
157.10143	17.1
159.08070	8.4
159.11694	15.9
161.09615	12.2
161.13206	6.0
163.11201	6.1
165.09108	4.4
169.10098	9.1
171.11682	11.6
173.09651	3.5
173.13280	6.8
175.11171	8.9
177.12717	4.5
181.10214	4.9
181.12144	3.1
183.11757	3.4
185.13327	4.1
187.14984	3.3
189.11224	7.3
189.12779	4.9
195.11687	7.1
199.11293	5.4
199.14964	3.4
205.12227	3.8
209.13283	4.5
217.15892	5.4
223.07520	3.4
223.13229	15.6
227.17970	4.2
237.16309	8.0
245.18982	8.4
253.14279	3.6
255.17424	8.6
263.20074	3.6
267.78745	3.1
273.18491	57.6
277.08960	3.3
291.19547	100.0
321.16702	3.4
347.22244	11.6
365.13953	8.3
365.19260	22.3
365.23239	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01873	10.0
55.05268	2.1
55.05515	28.9
55.82454	1.5
57.03439	21.3
61.02926	2.2
65.03930	2.2
67.05508	48.6
69.03432	13.7
69.07072	67.7
70.06572	6.3
71.04989	3.8
71.55820	2.9
72.08147	3.6
72.51449	1.4
79.05062	2.7
79.05498	39.7
81.03416	8.9
81.07059	44.5
82.07366	1.5
83.04987	8.7
83.08613	11.2
84.08141	2.2
85.02915	3.0
85.06541	4.5
91.05482	28.3
92.80116	1.4
93.07047	31.8
94.96593	1.7
95.04967	16.9
95.08617	22.4
97.02895	22.4
97.06523	8.9
97.10175	17.8
98.00146	1.3
99.08078	2.1
103.05435	2.4
105.07024	24.0
107.04983	12.8
107.08594	21.1
109.02880	1.9
109.06522	15.6
109.10149	17.3
111.04414	3.2
111.08083	3.6
113.05997	2.2
115.05436	2.7
116.06224	1.9
117.07018	13.8
119.04952	2.8
119.08579	24.9
121.06512	7.5
121.10159	11.4
123.08071	8.6
123.11677	2.6
125.05968	1.8
125.09629	12.8
127.07563	3.8
128.06233	2.4
129.07001	7.2
130.07811	2.5
131.04819	2.0
131.08566	15.5
133.06483	5.3
133.10130	11.2
135.08034	10.5
135.11676	6.5
137.06004	2.9
137.08011	1.6
137.09618	4.5
141.07082	2.5
143.08568	6.4
145.06456	2.8
145.10135	13.2
145.62195	1.7
147.08046	10.4
147.11685	8.2
149.09593	3.8
149.13251	5.0
151.07669	1.7
151.11237	2.1
153.09106	2.1
155.08594	2.4
157.10153	5.6
159.08086	2.0
159.11676	6.6
161.05983	3.1
161.09608	9.4
161.13248	3.4
163.11168	5.2
165.09097	4.3
169.10104	2.5
171.07961	2.0
171.11656	4.2
173.09618	2.5
173.13237	3.5
175.07581	2.2
175.11188	2.9
177.12793	3.7
183.11642	1.9
185.13187	3.0
187.11154	4.5
189.11215	6.5
189.12781	1.8
189.16223	1.6
193.12285	2.7
195.13777	3.3
199.14784	2.9
201.12781	2.2
201.16220	1.7
203.10651	1.6
203.17786	1.9
205.12286	3.2
209.13303	2.0
215.10779	2.0
217.15965	2.5
223.13280	16.7
227.17880	2.1
231.65990	1.6
245.19179	2.3
249.14845	2.4
255.17320	2.5
273.18503	34.4
287.12967	1.8
291.19543	100.0
306.20700	1.9
307.41406	1.7
315.12387	3.1
321.16412	2.6
333.13373	5.9
347.22226	3.2
360.49811	1.7
365.10165	2.3
365.19275	15.4
365.23260	43.7
366.23505	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24817	1.6
52.79309	1.4
53.03944	4.5
55.01883	12.4
55.05264	2.4
55.05515	35.4
55.93517	2.1
57.03440	13.4
64.30130	1.5
65.03930	3.2
67.05509	44.9
69.03434	13.9
69.07073	64.7
69.85591	1.4
70.06599	1.8
70.69348	3.8
71.04995	3.0
72.08154	2.9
72.93790	3.8
79.05501	37.2
81.03431	8.1
81.07063	36.1
83.04985	5.9
83.08608	11.3
89.20957	1.5
90.94804	1.7
91.05496	23.9
93.07044	29.9
95.04980	14.9
95.08623	19.8
97.02892	14.7
97.06543	10.7
97.10173	13.5
105.07043	19.7
107.04948	10.4
107.08609	18.7
109.06517	5.2
109.10174	16.6
111.08102	3.7
115.05451	2.3
117.07017	10.5
117.77234	1.5
119.04964	3.6
119.08575	16.7
121.06525	5.4
121.10159	10.6
121.98505	1.6
123.04426	1.6
123.08077	5.4
123.11730	2.3
125.09637	14.4
129.06996	5.4
131.08572	14.1
133.06529	3.6
133.10161	9.5
135.08061	8.5
135.11678	4.2
137.09607	4.8
137.13171	1.7
143.08554	4.6
145.06578	2.2
145.10133	10.4
147.08060	8.8
147.11671	6.3
149.09615	4.1
149.13287	3.1
151.11230	2.0
155.26062	1.5
157.10118	5.1
159.08083	3.4
159.11748	6.0
161.09651	6.4
161.13261	3.9
163.11267	2.9
165.09149	4.5
169.10133	1.6
171.10240	1.7
171.11679	2.9
173.13210	1.6
175.11188	4.3
177.12643	1.8
179.10782	2.4
183.11700	1.7
185.13258	1.8
189.11255	8.4
189.12791	2.0
193.12274	2.4
195.13905	2.7
205.12117	1.6
221.15450	1.9
223.13292	25.6
227.12794	2.0
237.16518	2.1
245.19034	5.1
255.17445	3.0
263.20261	1.8
273.15622	1.4
273.18494	27.1
279.08319	1.5
291.19571	100.0
347.13025	16.7
365.14221	5.3
365.23245	63.9
365.27921	3.2
365.32358	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01876	7.3
55.05515	31.4
56.96550	1.3
57.03189	1.0
57.03441	12.3
57.07074	1.3
57.83292	0.8
59.05003	1.7
60.08216	0.8
65.03941	1.2
67.05508	39.2
69.03430	14.8
69.07070	44.1
69.82503	3.9
70.06603	1.3
71.04986	3.0
79.05496	32.9
81.03406	6.4
81.07059	29.1
83.04975	5.8
83.08624	12.6
85.02877	1.2
85.06562	1.8
91.05482	23.5
93.07043	26.9
95.04973	10.4
95.08607	16.1
97.02893	19.6
97.06541	5.3
97.10165	14.9
105.04539	0.8
105.06331	0.7
105.07031	17.9
107.04962	11.6
107.08602	19.3
109.06550	6.5
109.10154	12.1
111.04493	1.0
111.08076	3.5
115.05499	1.1
117.07021	8.6
119.04939	1.2
119.08580	14.6
121.06522	5.5
121.10137	6.7
123.08060	6.7
123.11714	1.2
125.09633	15.6
128.06268	2.3
129.05498	1.4
129.07019	4.6
131.04974	0.9
131.08577	11.1
133.06487	2.6
133.10153	8.2
135.08070	6.8
135.11737	4.0
137.09612	3.8
139.11218	1.3
143.08577	4.1
143.10703	0.8
145.10146	7.5
147.08022	6.3
147.11700	3.4
149.09673	2.5
149.13268	2.5
151.11201	1.4
157.10158	3.9
159.08083	1.7
159.11700	4.9
161.09685	4.9
163.11201	2.8
165.09111	3.5
169.10101	1.2
171.10286	1.0
171.11742	2.6
173.09639	1.7
173.13194	1.1
175.11226	1.9
177.12782	3.7
179.10715	1.4
183.11716	1.2
185.09622	1.3
185.13286	0.9
187.11177	1.0
187.14767	1.1
189.11185	8.5
189.12672	1.4
193.12231	1.2
195.11868	1.4
195.13852	2.5
199.14848	1.8
203.10696	1.1
203.14244	1.7
205.12285	3.4
213.12915	1.0
219.36139	0.9
223.13290	32.3
223.15440	1.6
227.12939	1.7
227.17908	1.9
245.19125	2.4
249.14848	1.1
255.17511	2.3
263.19977	1.3
269.10522	1.0
273.18518	21.0
291.19550	100.0
292.19937	3.5
347.22122	1.9
365.23279	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
54.17883	1.5
55.01876	12.7
55.05520	14.6
57.03442	56.8
57.07076	1.9
59.04997	1.5
64.88445	1.8
65.03935	3.3
67.05510	60.1
69.03427	6.2
69.07076	12.7
70.06598	3.0
71.05000	8.7
79.05061	2.5
79.05501	37.1
81.03407	4.5
81.07063	36.2
82.73394	1.3
83.04985	6.5
83.08618	6.2
84.08141	1.7
85.06551	41.3
91.05486	40.9
93.07048	29.0
95.04979	58.4
95.08614	20.7
95.30694	1.7
97.02909	9.1
97.06539	16.1
97.10189	3.8
98.21542	2.8
99.08102	3.3
103.05487	1.7
105.07036	29.0
107.04957	15.3
107.08598	24.3
109.06525	55.4
109.10161	7.6
111.04496	1.7
111.08088	3.8
113.06014	100.0
115.05495	3.0
117.07027	17.5
119.04951	2.2
119.08587	23.6
121.06495	10.6
121.10161	11.7
123.08059	8.3
123.11659	2.0
125.09658	2.6
128.06219	4.5
129.07002	8.0
131.08583	16.9
133.06488	4.2
133.10135	14.0
135.08063	44.6
135.11694	10.4
137.05974	2.5
137.09630	1.8
140.23956	1.6
142.07809	2.1
143.08551	11.3
145.06468	2.0
145.10133	18.3
147.08072	7.3
147.11679	6.8
149.09602	8.7
149.13281	4.9
151.11194	2.6
155.08572	2.2
157.10133	11.1
159.08017	3.3
159.11703	8.3
161.09650	12.8
161.13261	3.6
163.11177	6.5
169.10138	2.8
171.11702	7.2
173.09627	3.7
173.13287	6.4
175.11201	5.6
177.12767	4.4
181.10161	2.4
183.11673	2.6
185.09555	2.4
185.13239	3.4
187.11176	2.7
187.14781	2.0
189.16342	2.8
195.11760	1.8
197.13321	1.7
199.11154	2.5
199.14873	4.7
201.12712	1.8
203.14398	2.5
209.13354	1.9
215.10640	2.5
217.15904	18.0
227.17984	3.4
233.15451	2.2
237.16560	2.6
245.19008	4.2
255.17398	5.0
263.20245	2.5
273.18524	44.3
291.19586	32.6
347.22244	5.0
365.10416	7.4
365.15326	2.1
365.19312	9.7
365.23315	20.6
365.28229	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.3
53.03940	2.4
55.01876	7.2
55.05515	11.7
57.03440	44.5
57.07075	3.7
65.03941	3.4
66.04922	1.1
67.05508	45.0
69.03424	5.5
69.07069	10.6
70.06599	4.9
71.05000	5.9
71.44409	2.6
72.08151	4.4
79.05493	26.4
81.03417	3.4
81.07066	27.4
83.04985	4.7
83.08621	4.7
84.08135	2.4
85.02905	2.4
85.06549	38.2
87.56168	1.2
88.07628	1.5
91.05486	25.8
93.07047	29.5
95.04974	53.5
95.08606	18.9
97.02902	20.9
97.06540	7.3
97.10181	3.2
99.04465	2.2
99.08089	1.3
105.07033	27.3
107.04965	10.7
107.08603	19.7
109.06524	50.4
109.10150	7.9
111.04494	1.2
111.08073	3.7
113.06013	100.0
114.06286	1.2
115.05482	2.1
117.07029	13.8
119.04926	1.6
119.08586	19.1
121.06502	9.2
121.10144	8.3
123.08079	5.7
123.11716	2.1
125.05973	1.6
125.09605	2.9
127.07607	1.4
128.06238	1.8
129.06992	8.1
130.07790	1.9
131.04930	2.0
131.08574	20.4
133.06502	3.6
133.10133	12.3
135.08063	35.7
135.11697	8.4
137.05951	3.5
137.09630	2.5
141.06985	3.1
141.09094	1.1
143.08578	8.7
145.06500	3.0
145.10120	18.8
147.07991	5.6
147.11716	6.1
149.02327	5.1
149.05927	1.9
149.09660	7.5
149.13228	2.5
151.11206	1.9
155.08556	2.9
157.10103	8.9
159.08043	4.8
159.11707	10.2
161.09596	9.6
161.13246	3.1
163.07588	2.0
163.11174	8.4
165.09100	2.3
169.10130	2.7
171.08116	1.2
171.11719	6.2
172.08635	1.3
173.09680	3.9
173.13254	4.5
175.07561	2.6
175.11189	4.6
177.12772	2.9
181.10057	1.9
183.11717	3.6
185.09660	2.2
185.13203	2.8
187.07553	1.3
187.11171	3.5
187.14784	2.9
189.12773	2.4
189.93665	1.2
191.08676	1.2
191.10664	2.1
193.05009	6.9
195.11742	2.3
199.11171	2.0
199.14867	3.9
200.20119	4.6
201.12794	2.8
203.10754	1.9
208.31848	1.3
213.16428	1.4
215.10698	2.8
217.15913	15.3
227.18045	1.9
233.15492	1.7
245.19063	3.0
255.17509	3.7
273.18503	28.5
274.19049	1.4
283.13330	1.7
291.19556	35.3
329.13715	1.5
350.07938	1.5
365.10144	4.5
365.16083	2.5
365.19601	2.1
365.23392	13.3
365.27893	2.9
366.22729	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.9
55.01872	25.7
55.05510	37.8
57.03432	24.3
57.07079	5.9
59.05004	29.1
65.03933	5.8
67.05178	5.2
67.05510	97.0
69.03425	6.3
69.07072	35.3
70.01395	12.7
71.04983	6.4
79.05492	74.6
81.03396	10.9
81.07057	98.8
83.04997	23.7
83.08614	15.5
85.06517	7.5
91.05486	100.0
93.06472	5.6
93.07047	79.8
95.01297	4.0
95.04980	22.1
95.08598	41.3
97.02900	3.7
97.06522	11.9
103.05462	5.1
105.06316	4.3
105.07034	77.9
107.04955	23.5
107.08607	60.9
109.06535	15.8
109.10168	49.7
111.08060	9.2
113.06066	3.5
115.05518	4.1
115.11185	3.5
117.07027	24.6
119.08604	30.2
121.06502	13.2
121.10149	23.9
123.04412	4.2
123.08073	11.6
123.11688	12.2
125.05945	2.9
125.09645	3.8
128.06207	6.3
129.06999	11.0
131.08568	34.5
133.06503	21.1
133.10133	93.5
135.08063	22.6
135.11699	13.7
137.06003	3.2
137.09618	6.5
139.07539	6.0
141.42361	2.8
143.08549	8.4
145.06491	3.1
145.10130	15.7
147.08040	10.8
147.11662	9.6
149.09633	28.3
151.11195	54.6
155.08585	4.7
157.10156	8.3
159.08058	8.3
159.11673	7.0
161.09650	17.2
161.13229	5.7
163.11192	4.0
164.03183	3.0
165.09027	3.2
165.78606	2.7
169.12218	5.9
171.11678	6.5
173.13152	3.7
175.11188	6.4
177.09102	13.3
177.12718	4.4
179.10612	4.4
183.11751	3.4
185.13179	4.9
189.12721	7.5
199.11131	4.0
211.06467	3.6
215.12889	4.7
217.12181	4.8
218.07584	2.9
218.55609	3.1
241.17918	2.9
245.19029	10.0
251.12975	3.8
253.14392	35.4
255.17523	7.4
263.20044	9.0
269.13821	10.1
273.18539	48.8
291.19580	29.5
307.42822	2.9
322.22913	3.1
347.22107	6.0
365.23242	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.9
55.01872	25.7
55.05510	37.8
57.03432	24.3
57.07079	5.9
59.05004	29.1
65.03933	5.8
67.05178	5.2
67.05510	97.0
69.03425	6.3
69.07072	35.3
70.01395	12.7
71.04983	6.4
79.05492	74.6
81.03396	10.9
81.07057	98.8
83.04997	23.7
83.08614	15.5
85.06517	7.5
91.05486	100.0
93.06472	5.6
93.07047	79.8
95.01297	4.0
95.04980	22.1
95.08598	41.3
97.02900	3.7
97.06522	11.9
103.05462	5.1
105.06316	4.3
105.07034	77.9
107.04955	23.5
107.08607	60.9
109.06535	15.8
109.10168	49.7
111.08060	9.2
113.06066	3.5
115.05518	4.1
115.11185	3.5
117.07027	24.6
119.08604	30.2
121.06502	13.2
121.10149	23.9
123.04412	4.2
123.08073	11.6
123.11688	12.2
125.05945	2.9
125.09645	3.8
128.06207	6.3
129.06999	11.0
131.08568	34.5
133.06503	21.1
133.10133	93.5
135.08063	22.6
135.11699	13.7
137.06003	3.2
137.09618	6.5
139.07539	6.0
141.42361	2.8
143.08549	8.4
145.06491	3.1
145.10130	15.7
147.08040	10.8
147.11662	9.6
149.09633	28.3
151.11195	54.6
155.08585	4.7
157.10156	8.3
159.08058	8.3
159.11673	7.0
161.09650	17.2
161.13229	5.7
163.11192	4.0
164.03183	3.0
165.09027	3.2
165.78606	2.7
169.12218	5.9
171.11678	6.5
173.13152	3.7
175.11188	6.4
177.09102	13.3
177.12718	4.4
179.10612	4.4
183.11751	3.4
185.13179	4.9
189.12721	7.5
199.11131	4.0
211.06467	3.6
215.12889	4.7
217.12181	4.8
218.07584	2.9
218.55609	3.1
241.17918	2.9
245.19029	10.0
251.12975	3.8
253.14392	35.4
255.17523	7.4
263.20044	9.0
269.13821	10.1
273.18539	48.8
291.19580	29.5
307.42822	2.9
322.22913	3.1
347.22107	6.0
365.23242	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68194	0.8
53.03942	2.7
55.01885	8.5
55.05513	28.9
56.01877	0.8
57.03442	10.4
57.07071	1.7
65.03931	1.7
67.05509	31.9
69.03432	13.2
69.07073	42.0
70.06594	1.3
70.22886	3.3
71.04989	2.0
72.08150	1.6
79.05498	28.1
79.05960	1.7
81.03416	5.1
81.07063	26.4
83.04976	6.2
83.08620	10.4
85.06526	1.2
91.05485	18.8
93.07051	20.6
94.04163	0.9
95.04969	6.8
95.08611	15.9
97.02894	18.7
97.06543	4.6
97.09631	1.4
97.10187	17.2
105.07033	14.5
107.04963	8.1
107.08601	16.4
109.06543	2.4
109.10161	11.1
111.04441	1.3
111.08062	3.1
115.05470	1.4
117.07025	8.9
119.04906	1.1
119.08590	13.8
121.06519	2.5
121.10168	6.8
123.04404	1.2
123.08078	6.1
123.11714	1.3
125.09632	13.4
128.06181	0.9
129.07011	3.9
131.08574	9.8
133.06477	3.0
133.10146	6.4
135.08054	4.2
135.11687	3.1
137.09671	4.7
141.06984	1.1
143.08559	3.5
145.10146	8.0
147.08064	5.7
147.11641	4.3
149.09636	2.7
149.13286	2.5
151.11172	0.9
153.09074	1.4
155.08481	0.8
157.10161	2.7
159.08128	1.1
159.11710	3.6
161.09604	3.8
162.10448	1.1
163.11255	2.2
165.09117	2.7
165.18819	0.8
169.10100	1.6
171.10222	1.2
171.11652	2.2
173.13159	1.4
173.55365	0.9
175.11125	2.6
177.12706	1.6
179.10622	1.1
184.38173	0.9
185.13289	1.1
187.14861	1.3
189.11208	6.8
193.12263	1.2
195.11871	0.9
195.13828	2.7
203.05019	0.9
205.12234	4.2
223.13309	35.3
227.12813	1.3
227.17822	1.0
230.27286	1.0
230.61128	0.9
245.18993	2.8
255.17256	1.3
258.70728	1.1
263.20126	2.2
273.18500	19.0
287.17599	2.8
291.19559	100.0
292.19846	3.2
305.18594	1.2
347.22156	1.4
365.23227	75.6
366.23492	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01870	7.5
55.05516	13.0
57.03442	49.8
57.07065	2.6
65.03952	2.6
67.05508	45.3
69.03432	3.8
69.07067	15.3
69.23287	1.5
70.17770	2.9
70.18176	5.8
71.04995	4.9
79.05495	28.8
79.29698	1.9
81.03435	3.0
81.07059	34.4
83.04990	2.8
83.08616	5.0
85.06544	33.9
86.69424	1.7
91.05483	21.8
93.07055	25.1
95.04977	49.9
95.08620	16.9
97.02911	4.6
97.06543	3.5
97.10169	2.8
105.07042	18.5
107.04976	9.9
107.08611	17.4
109.02849	1.5
109.06519	40.4
109.10168	6.6
113.06011	100.0
117.06995	8.0
119.08585	11.5
121.06503	3.9
121.10157	9.4
122.15723	1.9
123.08065	6.3
125.09669	3.4
129.07036	6.8
131.08546	12.1
132.95819	2.1
133.06522	2.1
133.10146	9.8
135.08069	29.8
135.11693	8.9
137.09666	2.5
141.06990	2.5
143.08606	6.3
145.10152	9.5
146.97415	2.0
147.08083	4.9
147.11635	2.6
147.42078	1.7
147.98148	1.6
149.09650	3.4
149.13272	4.6
157.10162	7.6
159.08061	2.0
159.11702	8.1
161.09552	8.0
161.13232	3.4
163.11200	5.1
165.09111	2.2
169.10136	1.8
171.11723	5.4
173.13231	4.0
175.11247	3.2
177.12740	2.9
197.13417	1.9
198.21176	2.1
199.14867	3.6
206.11079	1.8
216.97873	2.1
217.15854	14.0
223.13342	3.7
233.15364	2.5
235.17009	2.3
245.18814	2.2
255.17433	3.3
273.18469	24.9
277.21667	4.1
291.01398	1.7
291.19556	40.7
326.15967	1.7
333.13290	4.0
347.22247	2.2
365.11179	4.8
365.23138	37.7
365.27539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	14.2
55.01870	21.4
55.05295	2.9
55.05514	33.2
57.03437	30.5
57.07078	5.4
60.04515	3.6
61.35366	2.8
65.03938	5.0
67.05507	95.8
69.03415	12.6
69.07069	30.1
70.06598	3.9
71.04974	9.0
71.12946	4.0
71.13268	3.9
72.08150	11.0
77.83313	2.6
79.05495	84.4
81.03407	13.3
81.06581	6.3
81.07058	100.0
83.04990	27.7
83.08620	21.2
85.02862	3.3
85.06526	8.7
90.25632	2.8
91.05482	88.1
93.07047	79.0
95.01294	2.9
95.04968	57.0
95.08611	49.8
97.02876	8.3
97.06535	16.7
97.10168	5.7
103.03984	4.0
103.05462	5.1
105.07032	72.2
106.05054	3.6
107.04943	28.7
107.08595	60.3
109.06528	19.8
109.10162	32.6
111.04403	4.4
111.08058	19.0
113.05983	4.3
114.74207	2.8
115.05453	3.4
117.07014	21.9
119.08578	38.8
121.06507	19.7
121.10159	32.5
123.08063	9.9
123.11708	10.4
128.06161	5.7
129.07004	9.6
131.08585	37.5
133.06505	23.0
133.10136	62.2
135.08052	29.5
135.11673	17.7
137.09610	5.8
139.07530	3.9
139.11128	5.0
141.06979	5.2
143.08565	15.5
145.10129	21.6
147.08044	12.9
147.11710	17.5
149.09634	28.1
149.13235	6.4
151.07556	3.4
151.11192	27.4
153.09131	3.1
155.08627	3.1
157.04955	3.6
157.10121	11.5
159.08046	11.0
159.11716	13.5
161.09627	15.7
161.13234	8.6
162.10373	3.9
163.07545	4.0
163.11148	7.6
165.09036	4.9
169.10205	4.7
171.11649	9.5
173.13292	7.4
175.11209	7.5
177.09111	9.7
177.12776	6.2
183.11674	3.9
185.13225	5.8
187.11279	4.7
189.16429	5.6
199.14777	3.6
213.16429	4.7
217.16187	3.3
227.17937	7.0
245.19109	13.2
251.12839	5.7
253.14363	17.6
255.17433	3.5
263.20132	18.8
269.13843	8.0
273.18463	53.4
291.19510	30.4
321.24301	5.5
347.22226	12.0
365.19012	5.7
365.23267	98.6
365.31909	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
54.80060	1.0
55.01873	8.2
55.05513	30.2
57.03439	9.2
59.05012	1.1
65.03921	1.0
67.05508	32.5
69.03087	1.3
69.03436	15.6
69.07073	41.1
69.29214	9.4
71.04982	3.0
79.05496	27.8
81.03417	7.7
81.07066	23.5
82.11398	0.9
83.04993	5.8
83.08616	11.2
90.91512	1.1
91.05486	18.8
93.07047	19.0
94.04234	1.0
95.04974	8.4
95.08608	12.1
97.02892	17.7
97.06525	3.3
97.09625	1.3
97.10181	15.8
101.50127	1.0
105.03369	1.4
105.07035	14.7
107.04964	8.0
107.08604	16.0
109.06512	3.9
109.10159	11.4
111.08064	3.0
115.05479	2.0
117.07027	8.1
119.04980	1.1
119.08585	12.4
121.06493	3.3
121.10150	6.2
123.08089	3.8
123.11697	1.7
125.09635	14.3
129.06998	3.1
131.08580	8.5
133.06480	3.2
133.10121	7.6
135.08046	6.1
135.11679	2.7
137.09598	4.6
143.08580	2.2
145.06485	1.3
145.10117	6.9
147.08064	5.7
147.11703	3.4
149.09619	2.8
149.13266	2.6
151.11218	1.1
153.09114	1.2
155.08562	1.1
157.10185	2.4
159.11697	3.5
161.09633	4.5
162.10451	1.3
163.11205	2.7
165.09172	2.7
171.10266	1.0
171.11673	2.3
173.09700	1.1
173.11748	1.3
175.11287	2.4
177.12769	2.3
179.10622	1.1
189.11288	6.8
189.12775	1.8
193.12274	1.3
195.11681	1.3
195.13826	2.2
199.11215	1.6
205.12270	3.3
223.13306	29.3
227.12770	1.4
227.17863	1.3
245.18883	2.2
255.17520	1.1
263.19980	1.2
273.18530	17.2
291.19550	100.0
292.19818	2.3
347.22324	1.7
365.23215	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97797	1.1
53.03941	3.4
55.01877	11.1
55.05515	41.1
56.02138	1.3
57.03440	18.8
57.07067	1.5
59.77466	1.0
67.05511	47.0
69.03436	17.1
69.07074	70.4
69.80814	7.3
71.04992	4.5
72.93797	1.7
79.05498	41.8
81.03427	11.1
81.07063	39.4
83.04987	9.8
83.08628	13.0
85.06525	2.0
91.05483	29.4
93.07047	29.9
95.04974	13.4
95.08612	19.8
97.02892	16.7
97.06528	7.7
97.10172	25.7
98.20808	1.3
99.08086	1.4
105.07040	22.5
107.04954	12.7
107.08593	19.3
109.06514	6.7
109.10171	15.4
111.04413	2.1
111.08067	4.4
115.05461	1.9
115.57952	1.2
117.07030	11.0
119.08603	18.8
121.06522	5.0
121.10132	10.5
123.04446	1.6
123.08053	7.6
123.11690	2.7
125.09650	17.8
129.07013	3.6
131.08595	10.0
133.06535	4.8
133.10149	11.1
135.08069	7.1
135.11716	5.5
137.09653	6.8
142.07741	1.7
143.08575	4.5
145.10129	7.6
147.08084	6.9
147.11679	6.1
149.09644	4.4
149.13297	4.0
151.11198	4.5
153.09097	2.5
157.10146	4.1
159.11713	5.5
161.09633	5.7
161.13255	2.9
163.11162	2.8
165.09113	4.5
171.10248	2.9
171.11652	3.0
173.09676	1.9
173.11774	1.6
175.11232	3.1
177.12735	3.2
185.13228	2.7
187.14868	2.2
189.00697	1.5
189.11279	10.2
189.12753	2.4
189.16370	1.9
193.12239	2.0
195.13829	2.6
205.12224	3.5
213.16440	1.5
223.13315	26.6
227.12729	1.9
227.17963	2.0
237.16397	1.6
245.19017	3.4
249.14790	1.9
255.17358	2.7
263.20154	3.0
271.06403	2.6
273.18527	22.0
291.19562	100.0
292.19928	2.5
347.13101	4.2
347.22388	2.4
365.23276	52.1
365.32547	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33204	1.0
53.03938	3.8
55.01876	7.8
55.05266	2.2
55.05516	31.9
57.03441	11.9
59.04986	1.5
65.03961	1.3
66.63181	1.1
67.05509	36.6
69.03434	10.4
69.07075	41.4
70.62165	3.1
71.04988	2.1
74.43200	1.1
79.05061	2.2
79.05500	33.3
81.03450	7.5
81.07065	25.1
83.04986	5.4
83.08617	12.2
85.06525	1.6
85.40519	1.0
91.05484	18.3
93.07054	16.9
95.04972	9.6
95.08611	13.5
97.02906	15.7
97.06538	4.0
97.10175	19.7
105.07030	11.0
107.04969	8.6
107.08604	15.3
109.06511	3.3
109.10153	10.3
111.08089	2.5
117.07052	7.6
119.08593	11.5
121.06487	2.5
121.10161	6.6
123.08078	4.2
125.09635	15.8
129.07016	2.8
131.08597	6.9
133.06520	3.2
133.10147	4.4
135.08047	4.7
135.11642	2.0
137.09618	4.0
143.08618	2.5
145.10147	5.5
147.08076	4.9
147.11687	3.2
149.09677	1.5
149.13234	2.5
153.09113	1.2
157.10156	2.6
159.11714	4.0
161.09625	2.9
163.11224	2.1
165.09120	4.1
171.10197	1.7
171.11627	1.9
173.09561	1.1
175.11188	1.5
177.12794	1.5
189.11238	6.4
205.12238	3.5
223.13309	35.8
227.12762	2.0
230.68323	1.2
245.19014	1.5
245.91747	1.2
247.16920	1.1
263.19989	2.6
271.06235	2.2
273.18542	11.0
291.19550	100.0
292.20062	3.0
347.13010	2.9
365.23236	35.5
366.23911	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1961
Annotation	Cinncassiol C2
Peak:m/z	Relative Intensity
53.03943	2.5
55.01866	3.3
55.05515	6.8
55.74134	0.7
57.03437	4.9
57.07076	1.3
63.70499	0.7
65.03925	1.7
67.05506	15.8
68.13285	0.7
69.03426	4.7
69.07077	7.1
69.26050	6.3
69.26460	1.7
70.06570	1.2
71.05009	4.0
72.08160	1.2
79.05499	12.5
81.03406	2.5
81.07058	14.5
83.04992	4.3
83.08611	3.6
84.08160	1.6
85.02904	1.9
85.06544	1.8
91.05482	16.5
93.07053	15.8
95.04983	6.5
95.08043	1.6
95.08608	16.6
95.09176	0.6
97.02899	10.3
97.06522	3.8
97.10147	1.9
99.04431	1.1
101.06017	1.1
105.03363	1.0
105.07037	18.5
105.63107	0.9
107.04962	3.9
107.08605	14.0
108.05704	1.1
109.06530	7.9
109.10174	8.4
110.83276	0.7
111.04404	1.4
111.08090	3.8
113.05991	1.9
113.09667	1.2
115.05441	1.5
117.07012	4.4
119.04975	1.4
119.08590	17.0
120.43097	0.8
121.06511	100.0
121.10129	7.5
122.06873	1.9
123.04478	0.8
123.08073	10.2
123.11697	1.5
125.05988	1.2
125.09647	1.4
127.07584	1.2
127.11176	1.5
128.06197	1.3
129.07011	4.5
131.08562	9.5
133.06514	3.9
133.10135	11.1
135.04347	0.8
135.07098	1.4
135.08064	16.2
135.09106	0.9
135.11740	4.7
137.05963	3.2
137.09598	3.5
138.06297	1.9
139.07523	1.0
141.06927	1.7
142.07831	1.8
143.06972	0.9
143.08569	6.9
144.09337	1.4
145.06480	2.5
145.10130	11.4
147.08066	12.0
147.11679	8.4
149.06047	0.9
149.09633	7.2
151.03886	0.9
151.07550	1.4
153.05501	0.9
155.07324	0.8
155.08589	3.6
156.09346	1.3
157.10123	6.1
159.08026	6.0
159.11682	7.7
161.09625	15.8
161.13216	4.2
163.07518	2.3
163.11209	7.2
165.05504	3.0
165.09082	0.9
167.07091	1.7
169.10098	4.5
170.10910	1.0
171.08014	2.2
171.11710	7.9
172.08762	1.5
173.09630	7.1
173.13290	4.5
175.07532	2.3
175.11189	6.2
177.12726	1.6
179.07025	0.9
181.10156	1.9
181.12138	1.0
183.11682	3.5
185.09624	5.0
185.13303	4.2
187.11176	8.2
187.14801	2.0
189.09131	1.1
189.12752	21.9
191.10678	1.9
191.14322	3.0
195.11708	2.3
197.13246	2.1
198.10387	1.1
199.11206	6.4
199.14854	1.8
201.12773	3.6
203.10823	1.3
203.14345	2.3
203.17969	1.2
205.12337	1.4
205.15909	0.9
207.13872	1.4
209.13261	1.1
211.14793	1.4
213.12737	3.0
213.16380	1.6
215.10788	1.1
215.14354	6.4
217.12270	3.3
217.15822	2.1
225.12782	1.3
227.10725	1.3
227.17867	2.1
231.10178	1.6
233.15428	1.2
235.13281	8.9
237.16365	2.3
239.18047	1.7
241.15881	2.1
243.17413	3.5
245.19029	2.3
250.13710	0.9
255.17422	12.8
257.19055	4.1
265.15982	2.3
273.18539	16.1
275.20056	1.2
283.16898	9.7
291.19583	5.0
301.17987	10.7
311.16296	1.1
319.19034	13.7
329.17435	1.7
330.17865	1.4
347.18564	3.3
347.22314	1.7
365.10190	3.0
365.15594	3.5
365.19534	9.7
365.23465	5.8
381.31586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.1
55.05510	14.3
57.03431	3.2
57.07072	3.4
65.03938	6.6
67.04238	2.4
67.05180	2.1
67.05512	26.7
68.05040	3.8
69.03421	4.2
69.07068	10.3
70.86320	3.8
71.04987	2.9
72.04509	4.6
79.05502	27.2
80.05013	14.4
81.07064	31.3
82.06565	10.1
83.04979	3.1
83.08627	4.6
89.06028	5.6
91.05491	21.4
92.05006	3.1
93.05801	11.2
93.07061	25.5
94.06570	15.5
95.04978	7.0
95.08616	16.0
96.04494	7.8
97.10172	2.7
98.06045	2.1
105.07031	14.8
106.06554	14.9
107.07405	9.7
107.08582	15.3
108.08119	8.1
109.05270	18.7
109.06509	3.5
109.10142	5.3
110.06052	57.7
110.09691	2.1
111.08112	4.6
117.05756	2.2
117.07032	6.2
118.06558	5.3
119.08578	12.5
120.08117	18.0
121.08935	2.3
121.10155	4.5
122.06000	2.7
122.09684	3.6
124.07591	4.3
125.09622	3.9
129.06993	5.3
130.06522	2.7
131.07344	2.8
131.08562	6.5
132.08118	10.6
133.10213	4.2
134.09636	5.8
135.08055	5.3
135.11691	3.0
136.07593	3.2
138.09134	20.1
140.07054	5.5
143.08577	2.6
144.08099	3.9
145.10118	5.4
146.09651	6.1
147.11629	3.6
148.11211	3.8
150.09113	6.8
151.09781	3.7
153.09067	3.4
155.08640	1.9
155.72052	2.1
157.10114	2.4
158.09575	2.7
159.11644	4.6
160.11221	4.6
161.13336	2.0
162.12729	2.8
168.10237	5.7
178.12265	8.7
190.12238	3.5
218.15398	2.9
234.14880	7.6
248.16534	5.5
266.17572	5.1
274.18082	3.0
278.17535	2.4
286.21713	2.5
306.20471	2.5
314.21042	5.7
318.20865	2.2
318.24298	3.3
332.22189	6.6
342.33719	1.9
346.13660	2.2
346.23859	11.0
364.24805	100.0
364.28204	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	364.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01869	7.1
55.05270	1.9
55.05518	31.9
56.05045	1.9
57.03436	2.3
57.07074	2.7
58.06589	2.7
60.04530	2.5
65.03930	1.5
67.05509	16.5
68.65427	1.4
69.03436	2.5
69.07081	12.7
69.48696	6.4
69.49104	3.0
70.06583	4.2
79.05503	25.6
80.04977	1.4
81.03439	2.4
81.07067	29.0
82.06576	4.9
83.04994	4.4
83.08629	14.6
84.08151	2.1
91.05487	14.3
93.07066	16.8
94.06570	2.2
95.04980	6.4
95.08588	10.2
96.04522	6.8
96.08114	2.6
97.10181	28.8
98.06065	1.5
105.07045	12.4
106.06558	1.6
106.66991	1.4
107.04959	11.0
107.08600	19.1
109.06520	4.0
109.10157	4.5
110.06052	2.9
110.09682	2.4
115.05516	1.7
117.07014	9.7
119.08599	14.2
121.06503	3.9
121.10149	14.1
122.09692	8.0
123.08039	2.4
124.07597	1.5
124.11282	1.7
125.09645	23.4
129.07063	2.1
130.07741	1.8
131.08586	5.2
133.10101	2.8
135.08078	5.7
135.11707	3.8
136.11205	1.8
138.12810	18.4
143.08591	3.1
145.10133	7.2
146.48720	1.3
147.08075	8.0
147.11700	1.5
152.10690	7.3
153.09103	4.1
153.12766	1.6
157.10178	3.8
159.11708	2.5
161.09663	3.4
162.12834	4.3
163.11136	2.8
171.10217	1.3
171.11671	1.5
173.09703	1.7
175.11298	1.9
176.14365	1.9
180.13843	8.7
184.25380	1.4
203.12877	7.3
203.64378	1.3
204.13866	3.0
205.12277	4.4
208.13324	9.7
221.47038	1.4
222.14966	1.6
235.46407	1.4
236.16431	2.8
237.14795	17.9
240.16019	9.2
250.14516	1.9
255.17447	1.9
272.20059	6.1
273.18481	12.6
290.21155	10.0
291.19583	3.3
304.22757	9.2
305.21100	35.0
322.23801	23.0
332.22290	5.9
364.24854	100.0
365.25055	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42467	0.6
71.22673	0.5
71.32930	1.3
82.34818	0.5
87.73614	0.5
90.79724	0.5
128.86816	0.5
148.26144	0.5
185.02562	1.0
185.04227	25.6
203.05281	60.2
204.05724	0.6
365.10568	100.0
366.10901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65229	0.8
53.03957	0.8
55.01859	1.8
56.05031	2.7
56.96569	8.6
57.03454	1.9
60.04512	2.9
61.01151	1.0
66.88394	0.9
68.05010	1.6
69.03431	5.8
69.04546	3.7
70.02940	1.8
70.06601	6.2
70.08219	3.9
71.04982	1.5
72.08160	4.6
73.02898	2.0
74.06091	1.0
81.03415	2.6
83.04971	1.3
84.04497	3.5
84.08144	6.4
84.96030	1.5
85.02911	12.3
86.06078	1.2
86.09729	0.9
87.04504	1.6
88.03999	1.6
94.53848	1.1
97.02892	6.6
98.97605	6.6
101.00870	1.6
101.07141	4.0
106.05014	1.2
107.04964	1.3
109.02905	2.5
110.07167	4.0
110.97570	1.2
112.03963	1.4
112.07574	1.1
114.05380	0.9
116.03457	1.4
116.07114	1.2
116.98605	3.8
118.06535	0.9
119.01900	3.8
127.03941	3.8
128.98634	1.6
129.10226	1.1
130.06532	100.0
131.00172	0.8
131.01888	2.9
131.06877	1.9
132.04460	19.1
132.08105	1.1
133.01665	1.1
133.03467	1.4
134.99702	1.8
135.04437	1.1
142.06523	1.2
143.00198	1.2
143.01923	1.5
144.08089	1.4
144.98067	0.9
145.01706	1.5
145.03551	2.3
145.04997	1.4
145.06050	2.0
145.07593	1.2
146.05995	5.9
146.99611	1.1
147.04303	1.3
149.03011	1.1
155.01889	2.5
155.06049	2.7
156.06688	1.0
156.87845	1.0
157.03481	1.7
157.06177	2.8
157.07613	40.6
158.06021	16.7
158.99689	1.4
159.05133	1.3
159.09221	4.3
160.07568	1.6
161.02966	3.4
161.06619	6.7
162.99191	1.7
163.02719	1.2
163.03987	1.5
169.07594	3.2
170.06012	1.8
171.09268	1.1
173.02945	4.1
173.07115	7.2
174.05545	3.3
175.02757	1.4
175.08676	9.4
177.00681	3.4
177.05663	1.0
179.07654	2.7
181.07614	3.1
185.02905	1.4
185.07028	7.9
186.05528	2.9
187.08676	1.8
190.98645	1.0
197.07112	4.7
199.08611	3.5
202.08234	2.8
203.08127	54.8
203.14029	1.1
204.08421	1.4
213.06558	1.0
214.08134	2.4
214.09991	2.0
215.07803	8.7
216.06564	1.6
219.01775	1.7
221.02925	3.5
221.05046	3.7
221.09155	1.2
222.49490	0.9
224.13979	1.2
225.06599	8.0
227.07834	1.4
231.07448	1.1
232.10844	10.5
233.99315	1.2
234.99147	1.4
237.02861	2.9
239.07632	1.0
242.09320	2.7
243.07672	26.8
245.05124	1.8
245.09087	1.2
248.13188	1.5
251.02292	1.7
257.09055	1.2
260.10269	8.9
269.03290	3.0
275.09888	1.4
283.10672	1.1
287.04199	2.3
290.11386	4.5
293.10825	1.8
299.10117	1.4
305.05478	1.2
305.10849	17.9
306.05008	1.4
309.02960	1.2
312.09274	1.4
319.17776	2.7
323.06155	1.5
329.12158	1.6
330.10840	4.6
335.10303	2.1
347.06073	1.2
347.13000	5.0
347.17133	1.4
348.10623	4.8
365.06250	1.1
365.13577	25.6
365.18152	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	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01872	1.0
55.05517	7.0
57.03415	0.8
57.07070	2.1
59.04966	0.7
67.05505	7.1
69.07073	9.7
69.76782	0.6
70.81768	1.3
71.04988	1.7
71.08626	1.1
73.06568	0.7
76.44411	0.6
79.05502	5.1
81.07059	12.7
81.07818	0.7
83.04978	1.3
83.08618	3.8
85.06557	0.9
91.05474	2.9
93.07040	6.7
95.04974	0.8
95.08611	10.1
97.06535	2.2
97.10175	1.1
105.07034	4.2
107.08613	6.8
109.06538	8.7
109.10155	4.2
111.08067	2.5
119.08585	5.4
121.10148	3.2
123.08075	65.5
123.11691	2.6
130.58430	0.6
131.08585	0.9
133.10136	3.1
135.08063	4.8
135.11682	2.3
137.09615	5.2
137.13290	1.1
145.10115	1.5
147.11746	2.7
149.09630	1.4
149.13235	2.1
151.11211	0.7
159.11658	1.3
161.13280	0.8
163.11169	0.9
163.78566	0.6
165.12740	0.9
167.14311	0.9
173.13342	1.0
174.96820	0.7
177.12782	0.9
179.14325	14.5
193.15948	0.7
210.78047	0.6
224.30365	0.6
233.19304	0.9
263.20190	0.9
275.19977	1.4
289.25476	0.8
295.22629	0.8
303.26569	0.9
307.22614	9.0
321.24362	0.7
331.26340	3.7
363.28931	100.0
364.29205	2.9
368.44870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90500	0.3
55.05510	0.9
57.03445	0.4
67.05515	1.1
69.07051	0.5
69.91178	0.6
69.91571	0.9
70.06594	6.6
79.05506	1.0
81.03419	3.9
81.07061	1.1
82.06579	1.3
83.04992	0.4
83.08634	0.8
83.36406	0.3
84.08141	1.2
85.02913	0.6
91.05463	1.5
93.07064	1.1
94.04047	0.5
95.04966	0.8
95.08613	0.7
100.07618	18.2
105.07036	1.3
107.08608	0.4
109.06526	0.4
109.10121	0.3
110.57133	0.3
110.57852	0.3
111.08092	0.6
116.07111	0.4
117.02449	0.3
117.07016	0.4
119.03577	1.4
119.08595	1.1
121.10146	0.8
128.07079	41.3
129.07030	0.6
131.08580	0.9
133.10155	0.6
136.06184	100.0
137.04549	1.2
137.05589	0.3
137.06612	0.5
147.08075	0.3
147.11681	0.8
147.27057	0.3
149.09671	0.4
149.13229	0.5
152.05644	0.4
157.10126	0.5
159.11693	1.0
161.13268	0.4
174.07722	0.8
175.11171	0.5
185.13206	0.5
193.12299	1.7
211.13264	2.0
231.13728	0.8
249.14816	1.2
255.60085	0.4
302.17728	1.6
310.16782	0.5
318.20605	2.4
346.18674	1.8
364.19830	34.5
365.20087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2117
Annotation	Consiculine
Peak:m/z	Relative Intensity
53.03950	6.6
54.78830	0.7
55.01882	6.7
55.05515	3.2
57.03432	1.0
57.65938	0.6
65.03941	1.2
67.05511	20.0
68.05029	2.3
69.03420	1.0
69.07077	4.2
69.07394	0.8
70.06248	1.1
70.06596	14.8
71.04990	2.9
71.06918	0.7
71.55950	0.8
72.08147	0.9
79.05497	11.6
81.03426	13.0
81.07063	21.2
83.04993	3.3
83.08616	2.0
84.08148	1.7
85.06550	1.2
87.04428	0.6
91.05495	8.6
93.07049	14.0
94.06584	3.3
95.01366	1.1
95.04971	6.9
95.08613	12.2
96.04462	0.8
96.08132	10.0
97.02876	1.4
97.06545	2.5
98.06089	1.2
100.07645	1.7
105.07047	6.4
106.06605	1.1
107.04964	21.3
107.08601	5.7
108.08073	1.2
109.06527	2.8
109.10154	1.5
111.04442	0.7
111.08092	2.0
112.07626	2.2
114.05540	2.1
114.09207	0.8
117.07053	4.3
118.06554	1.0
119.04909	0.9
119.08587	2.4
120.08122	2.7
121.06528	3.6
121.10177	1.7
122.06038	15.8
122.09760	0.7
123.04439	1.6
123.08058	6.3
124.07605	1.6
126.05463	0.8
129.07013	1.3
131.08568	5.1
132.08086	0.9
133.06525	2.1
133.10153	2.0
134.09671	2.2
135.06918	0.6
135.08054	1.4
135.11694	7.8
136.07556	4.7
137.09653	1.1
140.07076	41.9
141.07013	1.6
142.08635	15.4
143.08580	1.5
145.06526	4.8
145.10139	2.1
147.11639	1.0
148.07533	3.2
148.11220	1.3
149.08388	0.8
149.13234	3.1
159.08054	2.0
159.11688	7.0
161.09627	0.8
162.09178	2.2
163.11157	1.8
164.07097	2.4
168.06573	23.4
169.10167	2.6
172.67276	0.6
177.12781	5.5
178.08640	1.2
180.06575	2.0
180.10236	1.9
187.11194	10.2
195.13831	7.7
205.12207	3.9
223.13258	7.5
239.11807	1.4
241.14352	23.5
242.14714	0.8
267.11444	0.9
272.20120	2.0
282.18689	1.1
290.21140	1.5
300.19611	11.2
318.20651	32.9
319.20975	1.2
346.20074	7.1
364.21191	100.0
365.21573	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	362.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66766	1.2
55.01864	2.4
58.99586	11.4
64.22553	0.9
67.05518	1.6
69.03429	3.3
69.07057	1.7
70.06634	1.8
72.08149	4.0
76.02227	21.0
79.05492	6.4
81.07059	1.5
84.04503	3.7
84.08132	4.3
85.02898	2.7
86.06075	1.1
86.09694	5.1
86.99040	6.2
87.14082	1.0
88.03980	1.1
91.05480	18.6
93.07037	9.6
95.04977	2.9
97.02878	2.2
98.97533	1.4
99.04464	1.6
105.00088	12.2
105.07034	13.8
107.04943	4.2
107.08587	6.1
109.02912	1.4
109.06551	1.8
115.05516	1.5
116.06226	3.9
117.07021	13.3
119.04925	1.1
119.08554	4.0
120.08095	1.3
121.06506	21.5
121.10152	4.7
122.02735	100.0
126.09194	1.3
127.03861	1.1
129.07019	4.8
129.10268	1.3
130.08623	1.2
131.04939	2.5
131.08572	61.4
131.61418	1.4
133.10168	6.8
135.08054	5.4
135.09198	4.0
136.07561	1.5
137.05974	1.6
141.07034	1.5
143.08571	1.3
145.06487	4.5
147.04428	2.4
147.08110	1.6
149.05980	4.2
149.09636	15.0
159.08054	28.3
161.09651	6.4
163.07526	2.2
165.06955	1.9
165.09113	1.4
168.05769	1.0
171.64906	1.0
172.09805	1.2
177.09119	76.0
178.09499	1.1
179.08560	4.1
183.08009	4.5
183.09883	0.9
187.07552	19.9
187.14400	1.9
197.05908	1.5
205.08609	9.9
207.08020	8.7
209.09584	1.4
211.07555	3.4
221.05983	1.7
223.09627	2.3
225.09169	1.9
235.07521	14.0
237.09143	3.3
239.07007	6.2
252.10236	4.3
281.08130	8.3
298.10785	4.6
299.09070	2.2
316.11670	7.7
316.14594	1.1
323.47891	1.1
327.08780	2.7
344.11578	2.5
345.09616	1.4
362.12347	4.2
362.16495	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.1
57.07064	4.0
60.05935	1.1
67.05507	8.7
69.06740	1.0
69.07076	15.7
69.48980	7.2
71.04993	2.4
71.08634	1.8
79.05496	5.3
81.07064	15.4
83.04984	1.9
83.08630	6.5
85.60236	1.3
89.06043	6.4
91.05484	4.6
93.07063	8.7
95.04988	3.4
95.08614	12.6
97.06539	2.7
105.07084	7.2
107.08617	8.4
109.06535	12.8
109.10164	6.8
111.08053	3.3
119.08574	5.7
121.10155	6.5
123.08080	63.2
123.11679	3.0
131.08546	2.9
133.08606	1.8
133.10107	5.7
133.47337	1.3
135.08090	4.7
135.11676	2.7
137.09630	4.6
139.90688	1.3
145.10141	3.7
147.11702	3.3
149.09608	2.6
149.13310	3.4
159.11694	3.2
161.13274	1.7
173.13266	1.4
179.14304	13.7
183.68636	1.8
195.12209	2.0
211.37137	1.1
275.19977	1.5
281.67963	1.4
289.25531	1.5
295.22513	1.2
303.26944	1.3
307.22681	10.2
331.26343	5.7
363.28949	100.0
364.29398	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	361.1395
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
55.01874	2.1
55.76145	1.6
69.03425	2.9
70.06578	4.1
70.74038	3.9
72.08147	4.3
84.04497	1.9
84.08151	3.0
85.02893	2.1
86.09688	6.4
86.92678	1.2
109.02907	2.3
134.61240	1.6
140.07117	1.7
141.06924	1.9
149.93663	1.4
155.08604	1.6
165.07014	10.2
167.08598	1.6
169.06497	3.2
178.07814	3.1
179.08548	19.2
181.06512	2.2
181.09924	2.4
183.08070	28.0
189.07005	3.0
191.08556	3.5
193.06549	6.2
194.07300	4.9
195.08058	2.9
197.05974	3.4
199.10785	3.9
200.09151	2.4
207.08067	60.3
209.09647	4.5
210.09201	9.2
211.07570	17.1
215.63127	1.3
217.06430	7.3
219.08107	3.5
221.05933	10.5
223.07506	3.7
234.09148	2.8
235.07556	100.0
236.10802	2.8
237.09061	10.2
238.08617	3.1
239.07037	67.7
252.10231	70.7
253.08574	3.6
254.11765	1.7
262.08612	2.3
263.07077	8.4
267.06641	1.4
280.09695	13.2
281.08109	51.8
282.11285	2.1
284.09113	5.4
297.12354	44.4
298.10751	82.8
315.13361	17.0
326.10229	12.1
343.12912	61.1
344.11249	5.7
361.14099	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	361.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01876	2.2
55.05512	13.8
57.07070	5.4
67.05512	20.6
69.07076	17.2
71.08658	2.7
79.05503	2.8
81.07060	4.6
83.08649	7.8
91.05500	13.7
93.07050	61.1
95.04947	2.5
95.08619	36.6
96.83917	1.5
97.06485	2.9
97.10168	5.7
105.07101	2.1
107.08599	5.5
109.06509	2.3
109.10163	3.9
111.08101	28.9
119.08598	3.4
121.06513	3.8
121.10170	3.0
123.08080	1.6
123.11697	2.0
127.07579	2.2
129.01894	3.1
129.85193	1.5
135.08092	2.5
139.07552	26.4
151.11249	2.2
153.09109	17.7
157.08618	4.7
165.09132	1.9
165.12759	2.2
167.10736	10.3
181.12224	11.0
181.76982	1.8
186.60919	2.0
193.12318	3.3
195.13893	7.5
207.13858	7.5
209.15381	6.4
220.23860	2.0
221.15515	3.0
223.16936	2.1
251.20039	2.0
265.21777	3.4
277.21631	2.9
311.72467	1.7
361.14844	5.8
361.31042	100.0
362.31369	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.9
55.05515	43.1
67.05503	73.2
69.07066	36.1
69.18211	5.8
70.81065	8.4
70.81391	9.0
71.04999	78.9
73.06532	6.8
79.05490	73.8
81.07056	38.3
83.08633	15.4
84.08089	6.4
87.08115	6.4
91.05472	18.9
93.07056	62.1
95.05025	8.6
95.08606	30.6
97.06545	11.2
97.10172	24.9
101.12780	5.6
102.39625	5.9
105.07047	26.5
107.08582	41.1
107.72155	6.6
109.06519	10.0
109.10152	63.4
111.08126	6.2
114.33657	6.5
117.77525	5.8
119.08598	13.6
119.29026	7.5
121.10153	65.7
123.11646	7.1
125.09622	22.4
133.10110	11.5
145.10159	11.4
153.12767	33.6
155.10661	24.7
171.10257	7.3
173.11742	100.0
175.11024	5.8
189.11259	18.1
224.19017	5.7
227.16431	15.4
275.20099	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38799	10.9
55.05510	31.8
56.52392	11.4
67.05505	100.0
69.07054	60.2
69.62099	90.5
71.05016	71.2
79.05481	45.1
80.32196	10.9
81.07055	57.0
83.08638	32.7
87.17151	12.1
87.55024	11.1
91.05488	32.7
93.07072	85.8
95.04987	18.1
95.08614	46.2
96.28129	13.6
97.06602	17.8
97.10163	41.0
105.07026	37.0
107.08624	63.6
107.09221	11.6
109.06512	19.1
109.10135	54.0
119.08558	16.4
121.10144	90.6
125.09662	27.7
133.10149	14.1
135.75858	13.2
137.09515	14.6
153.12758	43.3
155.10658	14.1
166.40625	14.0
173.11778	90.5
189.11238	33.8
275.20142	42.2
333.68204	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	28.1
56.08849	6.1
56.13066	5.9
60.40138	5.7
67.05177	7.5
67.05509	95.7
69.07055	21.7
71.55304	10.0
73.21956	6.5
75.55120	6.7
79.05508	29.7
81.07049	28.2
83.08613	22.5
87.17513	6.9
91.05468	20.5
93.07050	21.2
95.04967	5.5
95.08624	21.1
97.06520	7.4
97.10173	31.4
105.07041	17.3
107.08598	43.0
109.10165	100.0
111.08052	7.6
119.08583	16.6
121.10165	6.3
125.09633	20.2
129.06970	6.1
131.08560	11.9
133.10130	8.4
135.11690	6.2
149.09608	7.5
155.10684	25.3
155.42432	6.5
157.12241	8.7
164.43346	6.9
173.11745	78.2
187.13280	75.4
197.65369	6.7
203.12779	23.1
232.94630	6.1
257.18857	6.4
257.71429	6.0
275.20001	23.6
321.54422	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	360.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.0
55.01870	10.3
55.05509	36.9
57.03436	13.3
59.05001	16.6
61.99253	5.4
67.05508	64.2
69.03421	10.4
69.06718	9.0
69.07069	100.0
69.91412	12.2
69.91805	13.1
71.01350	10.0
71.04998	56.5
73.02935	11.0
79.05494	70.4
81.03429	21.5
81.07053	57.4
83.05011	10.0
83.08613	11.7
84.02119	6.2
85.06563	11.8
89.05456	4.8
91.05486	52.6
92.06313	5.0
93.07059	57.8
95.04978	24.5
95.08620	34.1
95.22572	4.9
97.02856	5.8
97.06536	72.0
97.10161	25.8
105.07030	35.4
107.05000	7.1
107.08595	36.9
109.06518	16.1
109.10168	26.4
111.08085	8.4
115.07585	38.3
117.07063	9.8
119.08556	12.9
121.10176	33.6
125.09641	19.8
129.36526	4.9
131.08598	11.1
133.10114	12.3
135.08037	6.2
145.10132	9.0
147.11703	14.8
149.09656	11.6
153.12804	20.4
172.36543	5.4
173.11816	29.7
175.07494	5.2
185.07114	7.0
189.11229	17.1
194.13036	22.1
275.20032	18.1
368.55527	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44911	0.6
55.01866	1.6
55.05508	1.5
55.56021	0.7
57.03428	1.8
67.05513	1.3
69.03442	1.6
69.07044	0.6
70.06597	10.6
71.44147	0.9
71.44486	1.0
72.08154	5.7
79.05476	1.1
81.03420	1.3
81.07047	1.9
83.01334	2.0
84.04515	1.1
84.08138	1.1
85.02883	3.1
86.03247	1.0
86.09704	1.3
91.05492	3.5
93.07002	1.2
95.04970	2.9
95.08595	1.3
97.02884	1.5
98.06065	3.0
98.09704	0.9
105.07028	2.4
107.04958	1.5
107.08600	4.2
108.08936	2.5
109.02859	0.6
109.06490	0.8
115.08691	6.1
116.07076	1.5
117.07034	3.3
119.04979	2.9
121.06506	3.1
121.55808	0.6
122.73297	0.6
123.04439	33.8
132.08138	0.6
132.11342	6.1
133.10149	1.7
134.10484	1.2
135.04402	2.0
135.08051	4.1
136.07562	2.7
137.05975	1.3
137.09595	1.0
145.04929	0.7
145.06476	4.3
147.04427	8.2
148.05106	0.7
149.05971	2.0
151.03885	2.1
157.06525	1.1
161.05980	2.8
163.03902	1.0
163.07561	16.4
164.07903	0.6
165.05495	4.2
173.06009	6.5
176.04733	0.9
177.05457	0.7
179.07027	5.3
179.10680	0.7
180.06578	1.1
180.11063	1.1
181.08583	1.4
184.13383	0.7
187.07468	0.7
189.05449	0.8
190.08653	12.1
191.07043	57.7
192.07202	0.6
193.12299	1.0
197.11720	2.3
198.12097	4.6
203.06995	2.9
207.06543	0.8
208.09708	100.0
209.10107	0.9
210.14783	1.4
211.13327	2.5
220.09700	1.9
228.16101	0.8
254.17502	2.1
270.17078	0.8
296.18774	0.8
306.30722	0.6
314.19669	0.9
325.10745	4.7
342.13290	4.9
342.23660	1.4
343.11835	2.5
360.14417	25.6
360.19357	1.1
360.24005	1.3
361.14716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.8
55.01879	11.0
55.05512	44.8
57.03428	9.8
59.04988	14.6
60.73328	5.6
65.03951	7.1
67.05514	100.0
69.03438	16.8
69.07068	95.0
70.47728	16.5
71.01360	10.0
71.05003	66.1
72.08142	6.5
73.02934	8.1
78.04704	5.1
79.05499	75.1
81.03410	27.3
81.07066	75.7
83.04987	15.6
83.08621	21.8
84.02145	6.9
85.02941	4.8
85.06509	13.0
85.84644	5.0
90.70136	5.5
91.05484	56.9
93.07045	71.7
95.04965	32.3
95.08615	36.3
97.02895	8.8
97.06538	83.0
97.10171	32.2
105.07050	29.5
107.04970	10.0
107.08612	37.1
109.06519	24.4
109.10165	26.3
111.08096	7.8
115.07571	43.4
117.07034	13.4
119.08570	21.8
121.06507	6.2
121.10157	43.8
123.08094	8.9
123.11719	8.5
125.09637	18.9
125.18559	5.3
131.08549	23.6
133.10156	15.9
137.09659	8.4
143.85349	4.7
145.10068	12.4
147.11716	8.3
153.12743	11.6
158.42857	5.2
159.11665	8.3
161.13371	7.6
173.11743	34.1
173.12994	4.8
185.07091	11.5
189.11288	16.1
194.13037	17.2
223.13284	6.0
275.20139	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01868	1.9
55.05484	1.0
62.49347	1.0
65.41166	1.0
69.03419	3.2
69.07069	2.1
70.06591	5.6
71.54149	1.0
71.54563	1.0
71.82784	0.9
72.08169	8.1
73.08489	1.1
79.05484	2.7
81.03419	1.8
84.04526	1.2
84.08160	2.0
85.02923	9.5
86.09705	9.0
87.10071	1.8
88.03999	3.5
89.03924	2.5
91.05477	9.7
93.07063	1.5
95.04977	3.8
97.02903	2.0
103.05458	2.4
105.07018	1.8
107.04965	96.5
108.05282	1.2
109.02933	1.2
115.05460	1.8
116.07115	2.2
117.03371	2.5
117.07035	1.9
119.04961	21.2
121.06516	10.9
123.04417	1.2
127.03921	3.1
130.06563	1.0
131.04922	2.0
133.06461	2.9
135.04431	13.6
136.07556	2.1
137.02385	1.7
137.06007	12.0
138.02696	1.3
145.02846	7.7
145.05016	2.6
145.06522	6.5
146.06003	1.4
147.04453	3.1
148.07581	5.2
149.05997	1.8
149.08481	1.3
153.05492	1.1
159.04436	2.8
159.06819	1.5
160.07571	2.7
161.08321	5.3
162.05524	6.3
162.09189	6.5
163.03922	68.2
164.04288	1.0
165.05554	1.4
165.06949	1.5
166.07802	1.5
167.08429	1.2
171.04514	0.9
174.09116	6.1
177.05400	1.0
180.06567	2.9
180.10207	2.4
181.04973	22.2
181.10202	1.5
183.08022	4.0
189.07875	4.8
190.08630	3.4
191.08528	3.6
194.07213	2.0
195.08093	2.8
198.07491	1.4
198.11255	2.7
205.04968	6.5
207.08197	1.4
208.09698	1.1
209.09648	5.4
211.07602	1.6
213.09091	2.9
219.08109	6.4
220.08644	0.9
229.07457	1.1
236.09171	3.2
237.09125	27.5
239.10698	1.9
241.08620	18.4
241.11015	1.4
247.07506	1.3
251.10623	1.2
253.10861	1.2
265.08719	5.5
268.13351	83.4
269.13739	1.6
283.09711	11.9
284.09650	1.0
296.12585	1.2
311.09195	4.3
314.13895	100.0
315.09378	1.1
315.14224	3.2
326.71561	1.0
329.10144	5.5
342.22638	1.3
360.14410	60.5
361.14587	2.3
374.86438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1441
Annotation	Lutessine
Peak:m/z	Relative Intensity
53.03949	1.4
53.65799	1.2
55.01863	1.9
56.94766	1.2
64.31825	1.4
70.06584	1.9
70.61139	4.0
72.08136	2.7
85.02926	1.6
86.09689	4.1
88.04006	3.0
91.05479	5.2
91.65070	1.2
93.06998	1.5
95.04967	10.9
103.05476	3.0
105.07030	1.8
107.04956	8.2
111.56802	1.2
115.05450	2.9
116.72644	1.2
117.07040	6.0
119.04954	6.2
121.02898	11.0
121.06498	6.1
123.04436	75.3
124.74590	1.3
131.04962	3.5
133.06491	3.1
135.04471	1.9
137.06113	1.2
145.06491	9.7
147.04428	13.0
149.05988	10.9
150.09146	18.1
153.06906	1.8
155.04927	1.8
155.87712	1.4
157.06520	2.4
160.07597	1.6
161.06015	2.2
161.08304	2.0
163.03955	8.3
165.05515	20.6
165.06886	2.5
167.08594	3.9
171.04463	10.1
171.08104	3.7
173.06013	4.7
174.09024	1.4
175.03928	2.6
176.10710	33.7
177.07111	1.6
178.08614	2.8
179.08562	3.0
181.04982	2.4
181.06477	2.9
182.07265	3.5
184.07553	3.4
184.09065	1.2
185.16498	3.1
189.05493	3.1
191.07027	8.2
193.04994	5.6
195.08089	12.3
196.09740	11.1
197.05997	41.9
197.09663	2.9
199.03935	7.0
199.05849	1.4
199.07446	6.8
202.08618	4.7
207.08102	2.4
208.48981	1.4
209.05917	3.5
210.06804	2.4
211.07472	6.1
212.08406	6.9
213.09096	9.3
217.04996	12.4
220.09702	1.6
222.11273	19.0
223.07545	23.5
225.09074	10.3
227.07040	7.6
233.15341	1.4
235.05939	3.1
237.09113	2.2
241.08595	4.5
251.07065	11.7
254.11786	28.7
264.10312	1.8
265.08582	7.4
266.10379	2.2
269.08112	21.0
273.62317	1.8
278.11890	2.9
283.09882	2.3
293.08093	1.6
296.12817	35.7
300.12314	72.8
301.12695	1.9
311.09161	8.0
314.13873	44.0
329.10251	3.6
342.13391	15.2
360.14420	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01863	0.9
55.57769	0.4
57.03436	1.2
60.04508	0.7
61.02908	1.7
69.03428	2.8
70.06585	1.9
71.55343	0.5
72.08154	2.4
73.02921	0.7
73.07703	0.4
79.05483	1.1
81.03408	1.2
84.04498	0.7
84.08130	0.8
85.02425	0.9
85.02905	11.5
86.09705	3.4
87.04444	1.1
89.03927	3.8
91.03939	1.1
91.05466	1.6
97.02901	3.9
106.39860	0.5
107.04958	9.9
109.02877	1.3
117.03387	5.8
118.08675	0.6
119.04935	2.1
121.06511	0.8
123.04415	1.2
124.27393	0.5
127.03902	2.3
127.04749	0.5
134.06032	0.5
135.04424	12.2
136.47169	0.5
137.02344	1.8
137.05978	2.0
138.02693	2.4
139.03938	1.5
145.02859	9.9
145.04950	3.1
145.06454	0.5
147.04338	0.7
148.07637	0.6
150.84933	0.5
163.03912	100.0
164.04286	1.1
165.05516	0.5
180.08716	0.9
180.10202	0.6
181.04968	41.4
182.05351	0.8
183.08090	0.5
198.08403	0.8
198.11539	0.5
198.13507	2.0
237.09117	1.6
241.08575	1.7
252.09976	0.5
268.13351	5.6
283.09613	1.3
314.13852	7.8
360.14340	4.7
361.14691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
54.22185	2.4
55.01870	5.6
57.03424	5.8
58.40638	2.3
61.02915	11.3
61.82521	2.3
65.06235	2.3
69.03133	2.1
69.03436	23.8
70.06596	13.5
70.42278	5.2
70.42635	7.1
71.04980	2.5
72.08158	5.4
73.02908	4.6
79.05478	3.0
81.03410	11.2
84.08140	10.2
85.02909	100.0
86.09711	16.2
87.09996	2.7
91.03952	6.3
91.05466	5.6
93.03413	4.2
97.02901	35.1
99.04457	5.1
104.07653	2.6
107.04961	16.5
109.02870	10.2
111.04443	22.2
117.03391	3.8
119.04978	4.8
123.04444	3.7
123.08091	4.5
124.08479	3.1
127.03936	24.7
129.10207	4.3
131.58220	2.7
135.04436	33.0
137.05989	6.2
139.03899	53.3
145.02834	6.9
145.04945	34.8
147.04443	6.2
163.03911	73.3
163.06021	5.1
163.07504	3.0
165.05495	4.6
166.41129	2.5
179.14352	4.5
180.08624	8.2
180.14694	4.2
181.04962	98.4
226.36609	2.8
268.13431	3.3
314.13800	9.5
342.14597	4.1
350.16953	2.7
360.14169	9.6
360.18497	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	359.3157
Annotation	AKD 2A
Peak:m/z	Relative Intensity
50.06663	1.4
55.05516	15.3
57.03429	6.7
57.07082	100.0
67.05509	28.8
69.07079	16.8
70.01301	5.2
70.06586	1.9
71.08636	72.4
75.04482	3.6
79.05482	2.3
81.07061	38.5
81.62878	2.1
83.08624	25.1
85.06532	2.8
85.10191	40.1
90.67101	1.4
91.05461	2.3
93.07043	2.6
95.08614	57.0
97.10165	19.5
98.21432	1.8
99.11723	2.2
105.03729	6.4
107.08575	2.2
109.10158	25.6
110.34869	1.5
111.11726	10.1
113.13319	2.1
117.29489	2.0
117.78139	1.8
119.08629	1.8
121.10204	1.9
122.06377	3.6
123.11721	15.0
125.13280	1.8
131.80553	2.0
137.13249	5.9
151.14825	2.0
154.82489	1.5
160.03514	1.5
163.85880	1.9
179.17969	1.8
227.64688	1.5
247.31412	1.5
249.25781	2.9
267.26782	10.3
285.27890	9.1
296.29510	16.7
341.26642	3.3
341.30533	56.8
341.34766	2.9
342.30875	2.4
359.37244	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05498	2.0
58.25511	0.7
65.03949	1.2
67.05490	0.9
69.03417	1.9
70.06590	12.1
71.04986	1.6
71.55605	1.4
72.08144	4.9
78.08157	0.7
78.18193	0.7
79.05492	1.5
81.03416	2.1
81.07031	1.4
84.08176	1.0
85.02908	3.4
86.06030	1.2
86.09702	6.7
87.10023	1.2
90.90388	0.7
91.05501	1.2
91.55237	0.7
93.07033	0.8
95.04971	1.8
97.02885	2.5
98.06050	3.5
101.52821	0.7
103.05472	0.9
114.05486	1.1
115.08690	5.3
119.04915	1.5
121.02851	3.6
121.10108	1.0
124.07574	1.1
131.08540	1.3
132.10410	1.1
132.11307	5.1
133.02856	2.9
135.04402	2.8
136.07501	1.0
137.06004	1.1
142.08609	0.9
147.04402	1.6
149.02347	100.0
150.02644	0.9
150.07800	4.3
152.38519	0.9
159.04295	0.8
163.03906	68.3
167.03441	1.8
171.11658	0.8
174.08755	2.1
180.06511	0.9
181.04956	27.5
191.46710	0.7
197.11725	1.6
198.12135	1.8
211.13397	1.5
280.10794	0.8
300.13440	1.8
360.16101	2.9
360.20258	2.7
360.23975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52937	3.4
55.05511	17.1
55.09517	3.8
57.07074	16.0
67.05507	26.3
69.07075	13.3
69.72875	22.6
79.05502	12.8
81.07063	32.9
83.08622	8.9
85.10216	6.8
88.07648	5.9
91.05484	38.9
93.07063	23.4
95.08633	40.1
97.06562	5.4
105.07043	57.3
107.08607	12.7
109.10160	10.9
109.18961	3.2
111.08038	3.6
117.07017	17.2
119.08593	66.0
121.10181	9.6
129.07063	6.6
131.08600	24.1
133.10124	31.9
135.11726	11.0
138.16383	3.5
140.21776	3.6
142.90759	3.4
143.08546	7.2
145.10144	35.5
147.11697	33.1
157.10164	20.4
157.51991	4.1
159.11696	40.5
161.09578	6.5
161.13327	21.8
169.10150	5.1
171.11679	11.1
173.13257	27.0
175.14853	6.6
183.11786	8.3
185.13249	4.5
197.13332	10.6
211.14867	4.3
213.16423	5.6
215.14320	3.6
215.17996	9.8
239.18036	25.5
257.19000	45.8
261.90619	3.9
275.19992	9.9
303.49557	3.6
325.86816	3.6
359.29611	100.0
359.36700	23.7
360.29648	5.1
365.22769	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	359.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	30.7
57.03439	7.3
57.07080	100.0
66.89916	2.1
67.05510	31.4
69.07064	20.8
69.50002	6.5
69.50428	8.0
69.61057	2.3
70.06598	2.6
71.08639	73.4
75.04487	3.5
75.66117	2.1
79.05500	4.1
81.07066	41.6
81.61942	1.9
83.08630	28.8
85.10188	38.1
88.07623	3.7
88.98780	2.0
89.06062	2.9
93.07052	5.9
95.08613	69.2
97.10182	29.1
98.20753	3.9
99.11716	2.5
105.07033	4.1
106.08624	2.0
107.08598	3.0
109.10168	27.2
111.11729	11.1
111.67885	2.1
119.08607	4.1
122.15123	2.2
123.11708	13.3
125.13308	2.3
135.11726	2.7
137.13280	9.8
149.13258	3.1
151.14873	2.8
161.13275	2.0
179.17885	2.2
200.28284	2.0
211.02736	6.0
224.15073	2.5
227.02214	15.7
229.00200	13.3
247.01132	3.9
249.25909	3.3
267.26871	9.9
285.27914	5.9
300.07971	1.9
341.30515	75.0
342.30698	2.4
359.18988	9.0
359.29538	3.1
359.37088	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	359.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.05514	100.0
57.07057	2.1
61.50735	1.7
62.20452	1.6
67.05498	14.2
69.07069	5.5
71.56149	2.7
72.08152	4.3
79.05495	16.3
81.07058	15.0
83.08625	57.7
84.08943	2.0
84.31121	1.6
91.05495	9.9
91.08597	2.2
93.07046	26.1
95.08628	12.4
105.07026	7.7
107.08602	11.6
109.10168	6.7
119.08600	8.3
121.10150	14.5
131.08583	2.8
133.10121	6.3
135.11717	12.9
145.10106	3.2
147.11722	5.9
149.13266	7.5
163.14903	2.4
167.05333	2.4
175.14838	4.5
181.12178	2.1
216.23598	2.1
246.84720	2.3
277.21661	19.1
359.13104	4.9
359.29501	14.2
359.37076	5.3
360.14462	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.3
56.19858	0.2
61.02919	0.4
69.03436	0.4
70.06602	2.2
70.84968	0.6
72.08160	100.0
73.08492	0.8
81.03442	0.3
82.06612	0.3
84.08152	2.1
85.02930	0.8
86.09698	1.9
87.04502	0.2
97.02921	0.5
98.09701	1.1
110.09682	0.9
116.07087	0.4
116.96227	0.2
119.01910	0.3
119.04958	0.2
123.04382	0.4
124.11284	0.4
126.05524	44.1
127.05863	0.3
129.10249	0.4
147.11266	0.4
150.09177	0.9
151.09547	1.3
152.07047	0.3
153.13881	6.1
158.09331	0.3
166.05937	0.3
175.11909	0.4
178.08707	0.4
179.08963	0.4
179.11771	0.6
180.10208	0.5
196.09630	1.3
197.10301	1.6
197.12866	44.2
198.11194	0.3
198.13266	0.7
288.11118	0.3
335.73239	0.3
359.14816	0.7
359.18121	3.3
359.23584	0.5
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	Unknow
Peak:m/z	Relative Intensity
50.64153	0.7
52.03577	0.7
55.01863	1.6
55.05518	0.7
57.03416	1.1
60.76953	0.6
61.02911	2.0
66.92592	0.6
67.05499	2.0
68.05043	0.7
69.03423	4.0
69.07074	1.5
69.91124	2.1
69.91533	1.5
70.06601	8.0
71.04974	1.1
72.08151	2.6
79.05482	2.9
81.03419	1.5
81.07047	2.8
83.06056	0.9
84.08125	0.9
85.02908	9.0
85.03386	1.3
86.09703	13.2
87.04469	1.0
91.05487	4.0
93.07047	6.9
95.04971	1.0
95.08595	2.3
95.24960	0.7
96.08134	2.2
97.02889	3.4
97.76475	0.7
99.04456	0.9
100.07678	0.7
105.07036	7.7
107.08599	36.4
109.02951	0.8
109.06523	1.1
109.10156	2.8
111.04432	0.7
111.05556	1.6
116.07058	0.8
119.08575	5.8
121.06501	1.4
121.10144	7.4
123.11703	0.8
127.03886	1.8
128.07063	1.1
131.08585	0.8
133.10129	17.8
135.11691	1.3
137.05991	1.9
137.09697	0.6
139.07521	1.0
141.10280	0.8
142.08641	2.3
143.08511	1.2
145.04912	1.3
149.09630	4.6
151.11189	9.0
155.11815	1.9
156.06557	2.3
161.05922	0.7
161.09636	5.7
164.82684	0.7
167.10687	13.1
170.07915	0.7
179.10687	14.9
183.11302	1.1
197.11737	100.0
198.12056	2.7
200.13954	7.5
228.13420	2.4
247.31059	0.7
254.17476	2.6
315.54929	0.7
323.19577	0.7
341.20715	1.0
342.26492	0.7
359.16644	0.8
360.20172	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.76242	1.0
53.03938	1.4
55.01885	1.6
55.05513	2.0
57.03439	2.9
59.05022	1.5
61.02921	3.2
65.03952	1.0
69.03423	6.2
70.06598	3.0
70.88985	1.9
70.89314	1.3
71.04987	1.2
72.08183	1.3
73.02924	1.6
79.05491	1.8
81.03439	2.2
81.07030	1.7
85.02910	29.9
86.09702	2.5
91.05463	5.6
91.64629	1.1
93.07047	7.4
95.04976	3.6
97.02910	7.4
105.07025	10.3
107.08601	22.9
109.02870	2.9
109.06521	2.5
109.10189	1.2
119.08595	1.9
121.06544	1.7
127.03939	5.8
133.10138	23.2
135.11708	21.6
137.06007	1.2
137.09608	1.4
145.04976	3.9
151.11188	1.7
161.09637	12.3
164.60182	1.1
179.10678	38.2
179.12189	2.1
197.11740	100.0
198.12093	1.5
200.13953	1.0
244.96309	1.2
268.85162	0.9
326.10834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.6
57.03418	2.7
67.05497	5.0
68.64936	2.2
69.03432	9.0
69.07063	10.7
70.02972	2.4
70.06594	65.0
71.04994	2.7
71.06934	2.3
72.08160	11.3
74.69378	1.7
79.05493	5.4
81.03413	6.6
81.07040	6.2
83.04979	2.0
84.04489	3.6
84.08153	4.0
85.02908	22.1
86.09708	83.6
87.04463	1.9
87.05585	6.7
91.05484	15.3
93.07069	8.6
93.07671	1.7
95.04962	7.3
95.08604	6.2
96.08114	5.3
97.02905	10.1
97.06535	2.1
98.02423	4.5
99.04449	2.1
103.05447	3.4
105.03356	5.8
105.07026	12.2
106.06624	2.1
107.04974	3.5
107.08599	35.0
109.02898	3.6
109.06522	3.5
109.10126	4.3
110.02428	2.1
111.04446	2.3
113.10774	2.9
113.85969	1.7
117.07005	2.5
118.06542	5.7
119.04932	7.6
119.08572	7.7
119.55124	1.7
121.06523	3.4
121.10169	9.0
121.76611	1.7
123.04426	7.5
123.05547	7.4
127.03906	3.7
130.05005	3.6
131.04916	2.9
131.08586	3.1
133.02861	3.8
133.06413	3.2
133.10141	23.1
134.06007	2.1
135.11671	2.3
136.07602	6.2
137.05984	17.2
138.09109	5.3
141.10229	10.5
143.08588	2.9
146.06047	9.5
147.04404	7.3
149.02345	7.9
149.05908	2.1
149.09615	6.0
151.11179	11.0
155.11784	8.3
161.05983	5.1
161.09628	7.1
162.06715	2.4
163.03941	3.5
163.07549	2.2
165.05458	7.9
165.06874	3.2
167.10654	15.0
170.60023	1.9
177.05515	3.8
179.07013	1.9
179.10669	19.0
181.04933	3.7
183.11279	6.5
191.08566	5.0
194.07196	4.2
197.11729	100.0
200.12190	3.0
200.13954	46.2
205.06767	2.3
208.32663	2.1
219.08005	4.1
228.13493	12.2
235.07452	2.0
251.06953	1.9
252.15700	2.3
259.14270	2.4
264.07828	2.7
265.08447	5.5
271.06003	2.1
275.14087	2.0
279.10205	8.4
297.11224	5.5
299.12567	2.2
311.12741	8.1
315.19080	5.0
325.17712	2.1
335.66257	2.3
341.13940	2.7
359.11923	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.2
55.05507	6.2
57.03431	8.6
58.97010	2.6
64.50256	1.9
67.05503	20.3
69.03428	4.6
69.07068	29.3
70.06613	1.9
71.04993	7.9
71.10623	2.1
71.10957	3.3
79.05497	26.7
81.03423	11.6
81.07059	22.1
83.08617	3.4
85.02884	2.3
85.06550	2.9
86.74416	2.0
91.05486	13.7
91.73634	1.9
93.07027	20.9
95.04969	14.5
95.08598	12.2
97.06534	100.0
105.07037	9.9
107.04951	3.6
107.08620	11.1
109.06505	5.1
109.10167	6.8
111.08047	2.5
115.07557	12.4
117.07021	8.5
119.08571	5.7
121.06496	4.0
121.10146	5.8
123.08097	3.7
129.07019	4.9
131.08578	7.2
133.10127	9.3
135.08073	2.6
135.11705	5.2
143.08594	3.4
145.10107	5.8
148.28178	2.2
149.09677	3.2
149.13318	4.3
151.11166	5.3
159.11676	7.8
171.11723	3.4
173.13239	3.1
177.12744	5.9
183.11728	2.9
195.13831	4.1
235.32135	2.1
238.01624	2.3
252.28926	2.4
273.18527	2.9
291.19693	2.6
300.38940	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	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73896	13.7
55.01858	12.7
55.05512	37.6
56.96559	19.9
60.76506	11.7
61.02913	11.3
63.70359	11.0
67.05510	100.0
69.03452	16.3
69.07069	26.0
70.06588	15.1
71.04992	44.4
71.55755	20.4
78.43171	12.0
79.05483	59.1
81.07040	82.4
83.04969	14.7
83.08590	20.0
87.04448	63.9
91.05493	82.8
93.07044	62.0
95.04979	17.8
95.08631	92.5
97.06522	12.7
98.97556	29.9
103.27723	12.4
105.07044	41.5
107.08613	52.4
109.06542	15.8
109.10168	63.1
111.08112	15.2
117.40880	12.9
119.08598	34.5
121.10160	22.5
128.22311	12.9
131.00179	14.4
133.10170	60.8
135.11699	19.8
137.09596	20.5
149.01233	46.9
156.03674	34.1
159.11572	12.1
161.09709	18.4
163.76445	13.0
167.02287	21.9
173.11768	84.3
179.10704	26.9
187.13371	13.5
265.62466	11.2
277.13806	49.3
291.19382	26.9
307.48404	12.5
335.19119	17.2
358.16458	79.9
358.29437	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	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73896	13.7
55.01858	12.7
55.05512	37.6
56.96559	19.9
60.76506	11.7
61.02913	11.3
63.70359	11.0
67.05510	100.0
69.03452	16.3
69.07069	26.0
70.06588	15.1
71.04992	44.4
71.55755	20.4
78.43171	12.0
79.05483	59.1
81.07040	82.4
83.04969	14.7
83.08590	20.0
87.04448	63.9
91.05493	82.8
93.07044	62.0
95.04979	17.8
95.08631	92.5
97.06522	12.7
98.97556	29.9
103.27723	12.4
105.07044	41.5
107.08613	52.4
109.06542	15.8
109.10168	63.1
111.08112	15.2
117.40880	12.9
119.08598	34.5
121.10160	22.5
128.22311	12.9
131.00179	14.4
133.10170	60.8
135.11699	19.8
137.09596	20.5
149.01233	46.9
156.03674	34.1
159.11572	12.1
161.09709	18.4
163.76445	13.0
167.02287	21.9
173.11768	84.3
179.10704	26.9
187.13371	13.5
265.62466	11.2
277.13806	49.3
291.19382	26.9
307.48404	12.5
335.19119	17.2
358.16458	79.9
358.29437	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	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34573	1.9
52.65490	2.0
55.05516	42.8
57.03442	5.1
57.07080	22.5
59.67449	1.8
61.45630	1.9
67.05508	39.1
69.07072	47.1
69.21642	18.8
70.06593	11.1
70.07413	2.0
71.04995	5.8
71.08649	10.8
79.05502	30.7
81.07063	46.3
83.04977	4.4
83.08622	35.9
84.08932	2.0
85.10182	5.4
86.16940	1.9
88.07644	16.5
91.05486	6.7
93.07054	38.7
95.08618	44.6
95.09212	1.5
97.06551	16.4
97.10188	20.6
97.87483	2.4
103.03986	3.0
105.07021	8.9
106.08666	5.8
107.08595	29.8
109.10179	22.8
111.08095	8.0
111.11707	9.6
113.20049	2.3
117.07076	2.7
119.08578	6.3
121.10155	51.2
123.11697	9.9
125.09625	4.3
125.13291	2.1
131.08565	2.1
133.10117	3.3
135.08153	2.1
135.11702	38.8
137.13321	4.5
139.11201	4.8
145.10062	3.7
147.11659	2.5
149.13292	15.6
151.14832	4.2
157.10155	2.8
159.11697	3.7
163.14853	7.4
165.16440	4.8
173.13289	2.7
177.16455	3.0
181.15804	3.2
191.17892	2.8
247.24210	37.6
265.25287	28.7
283.26324	2.3
339.28891	18.0
339.34460	5.9
357.24182	5.1
357.28400	5.0
357.35565	100.0
374.67535	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	357.2999
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03945	7.9
55.01873	7.7
55.05515	70.2
57.03440	10.4
57.07084	38.5
66.42487	4.5
67.05177	5.8
67.05508	78.0
69.06734	5.6
69.07079	100.0
70.06593	9.3
71.04982	4.9
71.08646	28.9
79.05499	47.1
81.07063	96.1
83.04985	7.3
83.08627	61.4
85.06542	10.5
85.10172	15.2
87.04475	13.5
88.07639	9.6
91.05478	15.2
93.07050	73.2
95.08619	83.2
97.06544	25.7
97.10180	37.6
105.07027	19.2
107.08607	60.2
109.10156	49.0
111.08076	15.2
111.11713	19.4
119.08595	11.1
121.10157	92.4
123.11691	15.3
125.09560	5.2
133.10077	8.5
135.08043	6.8
135.11690	66.1
137.13289	10.1
139.11166	5.2
143.08409	4.9
145.10124	11.3
149.13266	30.7
151.07661	5.4
151.14806	8.2
153.12798	6.0
157.10170	6.5
163.14839	15.4
165.09248	5.0
165.16321	7.5
167.14291	7.3
177.16466	6.8
185.13449	4.6
191.17831	12.1
247.24232	60.7
265.25327	59.8
339.29095	38.0
357.27899	7.9
357.35480	57.1
358.36798	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	358.186
Annotation	3'-Acetylindicine N-oxide
Peak:m/z	Relative Intensity
50.46165	0.9
53.03947	0.9
55.01871	1.8
55.05503	2.5
56.05044	5.0
60.85388	0.9
67.05507	7.5
69.03435	1.6
69.07064	3.6
70.06590	2.5
70.07994	4.5
71.04985	2.0
72.08137	2.7
79.05488	5.3
79.30161	0.9
81.03416	1.3
81.07056	22.2
83.04977	2.7
83.08618	2.7
84.04508	100.0
85.02898	2.2
85.06555	1.3
86.06053	1.2
86.09720	1.7
91.05499	7.5
93.07048	5.7
95.04945	1.3
95.08614	6.8
97.06512	1.5
99.08070	1.1
102.05548	50.1
105.07039	10.3
107.04934	1.8
107.08598	3.9
109.02779	1.1
109.06542	1.5
109.10139	1.5
110.06078	1.4
119.08598	9.6
121.06450	1.1
121.10133	8.6
123.08064	1.8
123.11715	9.4
127.07529	1.0
130.05011	48.7
136.02672	1.0
137.05981	1.2
143.08591	1.1
145.10107	1.3
147.04387	1.1
147.11694	22.4
148.04875	1.9
148.06056	29.5
153.05453	2.3
154.05882	1.0
161.05960	0.9
162.06540	1.2
163.74751	0.9
164.14401	2.2
165.12770	15.4
167.07054	1.5
183.13808	3.0
193.12236	1.6
210.14874	4.3
213.16006	1.0
229.14317	6.9
276.15790	2.3
284.10251	1.1
285.11572	0.9
294.17035	9.3
312.18082	3.7
340.17548	4.5
358.13593	2.3
358.18265	1.3
358.23495	1.5
359.14975	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	49.9
57.03422	9.2
57.07085	32.5
59.04991	5.5
67.05510	67.8
69.07069	84.9
70.06586	12.5
71.05023	7.9
71.08626	21.6
74.76933	5.5
79.05500	64.9
81.07066	78.9
83.08623	52.3
85.06522	6.4
85.10186	11.8
88.07604	8.7
91.05481	12.6
93.07040	65.7
95.08624	94.8
97.06534	21.6
97.10187	37.5
98.20743	18.2
103.44338	6.1
105.07024	19.2
106.08696	8.2
107.08597	58.2
109.10164	50.6
111.08112	13.7
111.11769	13.1
117.07056	5.8
119.08595	15.8
121.09336	9.3
121.10146	84.5
123.11726	16.7
125.09610	7.8
131.08583	10.3
133.10117	8.1
135.11678	61.9
137.13326	11.0
145.10158	6.8
149.13245	23.1
151.14877	6.9
163.14821	10.2
173.13234	5.4
180.99892	5.3
181.04930	6.6
191.17973	7.2
229.23749	8.4
232.73706	5.7
247.24255	61.3
265.25269	45.9
283.26321	5.9
339.28964	45.1
339.34631	6.0
357.24127	7.3
357.31302	11.5
357.35565	100.0
358.36655	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	357.3001
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05270	4.5
55.05514	63.9
57.03431	11.5
57.07077	39.1
58.06594	3.5
67.05509	73.3
69.07072	97.1
69.95655	4.3
69.95995	15.2
70.06589	8.2
71.04982	3.4
71.08631	21.8
76.94038	3.2
77.20075	3.0
79.05499	47.8
81.07059	89.1
83.04993	3.5
83.08149	4.4
83.08624	64.1
83.83405	3.0
85.06525	5.2
85.10180	14.0
88.07610	10.2
89.07961	3.9
91.05482	9.8
93.07050	61.9
95.04976	3.3
95.08614	83.1
97.06544	29.2
97.10175	37.3
98.58828	3.1
102.09138	3.5
103.03938	3.9
105.07015	4.1
106.08693	4.1
107.08595	41.5
109.10160	44.8
111.08075	11.2
111.11707	12.5
119.08597	3.6
121.08765	3.3
121.10155	83.8
123.11705	16.5
125.09576	6.0
125.13297	3.9
135.11703	70.0
137.13240	8.8
139.11243	5.2
149.13269	27.0
151.14821	7.3
153.11465	3.1
153.12703	5.8
163.14828	11.2
165.16415	10.0
177.16386	6.5
191.17935	5.4
247.24231	65.3
265.25305	57.9
283.26242	6.0
335.20447	4.2
339.29037	41.6
339.33334	5.0
339.34555	4.8
357.26404	5.9
357.30496	6.9
357.35535	100.0
370.79666	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	357.2788
Annotation	Neogrifolin dimethyl ether
Peak:m/z	Relative Intensity
53.01680	2.6
53.03959	3.9
55.05506	18.9
57.07065	7.0
64.79276	3.2
65.23490	2.9
67.05502	21.6
69.07071	30.3
71.05006	3.7
71.17595	7.6
79.05494	15.7
81.07058	38.8
83.05030	3.0
83.08624	9.6
85.06515	3.9
91.05467	26.6
93.07050	41.3
95.08614	35.1
97.06511	3.1
97.10184	5.4
99.04456	6.5
101.06043	4.9
105.07037	46.0
107.08614	38.9
109.10173	41.2
110.27481	3.3
111.11731	3.3
115.07620	3.0
117.07015	17.3
119.08593	46.3
119.09377	5.0
121.10163	37.0
123.11725	16.6
125.09685	3.4
127.07558	3.2
129.06958	4.2
130.07773	5.0
131.08578	37.5
133.10135	53.0
135.08083	3.3
135.11719	24.2
137.13278	5.0
138.73087	2.9
143.08553	14.4
144.09338	6.8
145.10132	69.0
147.11699	24.9
149.13330	5.6
153.09113	4.6
157.10112	14.3
158.10944	8.2
159.11705	40.9
161.09680	4.1
161.13266	39.8
163.14833	5.6
167.10762	3.0
169.10144	3.3
170.86076	2.8
171.11699	9.4
172.12590	3.8
173.13284	44.3
175.14827	13.1
185.13301	9.0
187.14845	81.0
187.16473	6.3
188.15202	3.4
189.12697	3.7
189.16437	7.0
191.10585	3.4
195.13812	6.0
199.14832	7.8
201.16399	43.2
213.16331	4.2
215.17966	8.5
223.16931	3.8
227.17845	5.3
235.17059	3.4
241.19440	3.5
243.21126	3.6
257.22650	5.4
259.16965	14.8
273.18582	5.1
295.96857	3.4
310.31470	3.2
315.23233	3.3
357.27930	100.0
357.32254	5.0
357.35330	5.7
358.28259	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	357.1697
Annotation	Lespecyrtin D1
Peak:m/z	Relative Intensity
53.03926	0.6
65.03957	1.6
67.05491	2.0
68.99778	1.0
69.07072	33.9
69.65928	3.6
79.05500	3.0
81.03440	0.6
81.07059	1.9
84.08144	5.0
91.05482	2.8
93.07060	1.2
95.04983	0.8
95.08628	0.8
98.21448	1.3
105.07030	1.3
107.04978	1.3
109.10123	0.8
110.03671	0.9
117.07040	0.6
119.04935	1.2
119.08597	0.8
123.04436	18.3
123.05326	1.0
125.06021	1.1
131.08611	0.7
132.11954	0.6
135.04431	2.6
137.05975	0.8
138.03120	8.9
145.10149	0.9
147.04402	3.8
147.11589	0.8
149.06007	7.1
149.09622	0.8
153.05475	100.0
154.05817	1.1
161.06006	2.1
164.60162	0.5
167.07011	1.6
173.09634	2.4
179.07002	1.0
191.10678	36.2
192.11037	0.6
199.14755	0.5
217.12280	0.9
287.09250	1.3
289.10641	1.6
301.10672	3.7
357.16971	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.202
Annotation	Thiocyanatin A
Peak:m/z	Relative Intensity
51.90176	0.5
54.86935	0.7
55.01881	1.6
55.05515	3.8
56.05037	4.8
57.03439	0.7
57.07075	1.1
65.03938	0.7
67.05508	8.0
69.03438	1.8
69.07069	3.3
70.06589	0.6
70.91022	1.2
71.05003	1.4
72.08159	0.9
79.05498	4.8
81.03410	1.6
81.07059	24.4
82.92469	0.5
83.05029	1.1
83.06108	28.8
83.08614	2.6
84.04507	100.0
85.02908	2.5
85.04829	0.6
85.06548	1.6
86.09673	0.5
87.04443	0.6
91.05484	9.2
93.07047	6.0
95.04980	1.8
95.08603	6.7
97.02914	0.8
97.06524	2.3
97.10181	2.0
99.04488	0.6
99.08118	0.9
101.07150	10.9
102.05547	11.8
103.05447	1.0
105.07035	12.6
107.04948	2.1
107.08595	5.1
109.02906	1.5
109.06534	1.8
109.10170	1.6
111.04445	1.1
111.08080	1.0
115.05462	0.9
117.07022	1.8
119.08586	10.3
121.10137	7.5
121.52495	0.5
122.03663	1.0
123.08070	1.2
123.11715	10.2
125.09690	0.6
127.03935	1.3
127.07498	0.6
128.06194	0.5
129.05597	0.8
129.06609	36.7
130.05008	73.1
131.05060	0.5
131.08591	1.8
133.06528	0.8
133.10155	1.7
135.11713	1.1
137.05981	9.4
137.09634	0.6
137.13303	0.9
138.03146	0.5
143.08540	0.6
145.06548	1.1
145.10063	2.5
147.04440	1.0
147.07654	28.1
147.11688	25.6
151.03949	1.0
151.07541	0.7
151.11232	0.6
153.05475	5.5
157.10152	0.7
159.11711	2.0
161.05917	1.3
164.14348	0.7
165.05450	1.0
165.09109	0.5
165.12764	14.9
167.07059	1.4
172.25441	0.5
173.05960	0.7
175.07581	0.6
175.11243	0.6
177.05434	0.7
182.15434	7.8
183.13817	1.9
191.07040	2.8
193.12233	1.8
199.07590	0.7
201.16418	2.0
203.06955	0.7
205.06458	0.6
205.08681	0.6
210.14906	17.0
211.15109	0.6
219.08057	0.6
228.15976	9.7
229.14418	4.0
235.07347	0.6
265.08539	0.8
266.17465	0.7
276.15903	1.5
293.18555	4.2
294.16968	5.5
297.11252	0.7
303.16968	1.0
303.23138	0.8
307.09457	0.8
312.18066	1.5
321.18100	11.8
325.10785	1.0
329.13699	0.8
339.12338	1.0
339.19144	2.2
340.17487	1.8
357.08826	0.8
357.13275	6.8
357.18903	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	357.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85256	0.5
55.05506	1.3
67.05493	1.5
68.99773	1.1
69.03429	0.7
69.07071	7.0
70.06593	0.7
71.95757	0.6
79.05482	2.9
81.03418	1.0
81.07056	2.1
82.04190	0.6
85.02885	0.9
91.05424	2.9
93.07038	1.9
95.04980	1.2
95.08585	1.7
95.20093	0.5
97.06528	0.8
105.07048	2.6
107.04939	1.8
107.08579	1.0
108.84747	0.5
109.02879	0.9
109.10168	1.0
110.03650	0.9
119.04952	0.8
119.08575	1.2
121.10193	0.8
123.04448	2.8
125.06034	0.6
127.03931	0.8
129.07010	0.7
131.08502	0.9
133.06494	0.9
133.10175	0.6
135.04422	2.6
135.07956	0.5
135.11763	0.7
137.05983	2.4
138.03093	5.7
145.10115	2.0
147.04413	3.0
149.05997	8.0
149.07146	0.9
149.09615	0.6
149.60495	0.6
153.05472	100.0
154.05811	0.9
161.05998	3.1
165.09036	0.7
170.77147	0.5
173.09610	4.7
173.13283	0.6
179.07043	1.3
191.10681	61.8
205.11993	0.6
217.12311	1.4
229.60030	0.5
238.18123	0.5
239.18279	0.7
301.10733	3.3
339.27023	0.6
357.16922	2.3
357.24091	0.8
357.28030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1694
Annotation	Lespecyrtin D1
Peak:m/z	Relative Intensity
51.74096	0.9
55.05500	1.2
62.06072	1.6
65.03953	1.0
67.05502	1.9
68.99793	1.6
69.07069	24.5
73.93982	0.6
79.05508	3.3
81.03397	0.9
81.07044	2.0
91.05463	3.2
93.07047	1.6
95.04952	1.1
95.08602	1.7
105.07010	2.1
106.71255	0.7
107.04948	1.9
109.10151	0.9
110.03658	1.1
117.07030	1.0
119.04919	1.1
121.10123	0.9
123.04434	13.4
125.05954	1.5
131.08611	1.1
133.06497	1.6
135.04443	3.4
137.05956	1.2
138.03131	7.4
145.10124	1.4
147.04381	3.6
149.05981	6.9
153.05469	100.0
154.05812	1.6
156.91953	0.8
161.05983	2.6
167.07007	0.9
173.09599	2.7
179.07083	1.4
191.10675	43.5
192.10857	0.7
217.12276	1.0
229.50499	0.8
239.18404	1.5
289.10571	1.5
301.10770	4.7
305.43069	0.7
343.51074	0.8
357.16913	1.9
357.24576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1698
Annotation	Lespecyrtin D1
Peak:m/z	Relative Intensity
53.03913	0.5
55.01865	0.6
55.05503	0.8
65.03933	1.0
67.05493	0.8
69.06783	0.4
69.07082	3.9
70.32228	0.9
70.32628	0.8
76.54512	0.4
79.05495	3.1
81.07060	0.7
83.04993	0.6
83.39455	0.4
91.05481	7.1
93.07049	1.9
95.04966	1.1
95.08616	0.8
97.02884	0.4
97.06503	0.4
105.07048	2.6
107.04986	1.9
107.08617	0.4
110.03651	1.2
119.04952	7.7
119.08596	0.7
121.10138	0.7
121.81752	0.3
123.04424	2.1
123.84189	0.4
125.05963	0.9
133.06505	2.9
135.04428	23.4
137.06003	1.4
138.03130	7.5
145.10100	0.6
147.04420	19.2
149.05994	1.2
149.09599	0.4
153.05478	100.0
154.05832	0.9
161.05989	8.2
165.05481	0.9
167.07057	4.9
179.07063	5.1
180.98029	0.4
191.10689	22.8
192.11098	0.5
217.12270	0.6
301.10727	17.1
301.14145	0.9
357.01480	0.4
357.16980	9.8
357.27994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01860	2.1
55.05515	16.7
57.03419	2.1
57.07076	3.6
57.75238	1.8
63.14041	1.8
67.05511	17.1
69.07070	23.1
69.26681	8.6
69.27110	7.9
70.06599	14.0
71.05003	22.6
71.05376	3.3
72.08149	7.7
79.05498	10.4
81.07071	22.6
83.05008	2.4
83.08611	6.4
88.07629	15.5
91.05473	10.7
93.07043	13.7
95.04964	4.2
95.08610	12.4
97.06529	4.3
97.10154	2.4
98.09659	2.1
99.57600	1.8
102.09195	3.9
105.07015	9.7
106.08684	8.6
107.04942	2.1
107.08588	7.4
109.06515	2.8
109.10132	6.1
113.09631	2.1
117.06969	2.2
119.08578	5.7
121.10127	5.3
123.11594	2.2
130.87575	1.9
131.08580	6.2
133.10081	5.5
135.11713	5.5
136.29091	1.6
137.09650	3.6
145.10121	5.1
146.06972	1.6
146.68919	1.7
147.11696	3.5
149.09528	2.1
149.13339	2.0
157.10106	3.7
159.11707	5.8
163.11230	3.7
170.32402	2.2
173.13214	2.1
177.12666	3.6
209.15448	1.7
227.16426	1.9
241.17886	1.9
257.19077	2.1
275.20038	5.4
325.66846	1.8
338.34180	5.3
356.35229	100.0
357.25851	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	6.7
53.36770	4.1
55.01858	12.4
55.05515	33.7
56.96571	5.6
57.03445	19.7
67.05173	5.3
67.05508	78.1
69.03426	6.8
69.07067	33.1
70.06577	3.5
70.47414	9.3
70.47807	8.2
71.04985	7.1
71.38187	4.2
79.05495	34.2
81.03436	8.9
81.07062	66.9
83.04986	60.1
83.08625	7.6
85.06544	9.5
88.27419	3.7
91.05481	56.4
93.07054	53.9
95.04981	24.6
95.08617	28.2
97.06540	83.2
99.08121	3.8
105.07025	69.8
107.04956	9.5
107.08612	37.6
109.06522	16.5
109.10162	57.3
109.54542	3.6
111.08102	16.9
113.05999	4.9
115.07584	4.9
117.07011	9.0
119.08562	9.0
121.06477	6.2
121.10139	11.1
122.63406	4.3
123.08064	10.0
123.11710	14.3
127.07582	5.0
129.07010	6.0
131.08572	13.4
133.10136	100.0
135.08054	12.6
136.29811	4.2
143.08601	4.4
145.10135	5.9
147.11615	7.0
149.09633	13.6
151.11201	64.1
152.19386	3.8
159.11621	5.1
161.09552	6.0
163.11150	5.0
173.13271	4.7
177.09106	10.0
179.10591	8.7
183.13870	9.3
191.10641	5.5
193.12276	5.6
195.54665	4.0
289.17999	19.5
321.20679	6.5
353.93600	4.6
356.18851	5.6
356.22723	5.0
356.34686	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	356.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	14.9
57.03429	2.7
59.06236	2.0
65.03942	3.1
65.30323	2.2
67.05501	11.1
69.07074	11.2
69.57159	7.4
69.57590	8.2
72.04500	4.8
73.03207	2.3
79.05503	13.3
80.05819	2.6
81.03432	5.3
81.07049	9.4
83.04951	3.0
83.08605	7.5
91.05464	7.6
93.07037	7.6
95.04974	5.7
95.08603	5.5
97.06527	8.5
97.10175	6.5
99.02660	2.6
105.07029	9.1
107.04937	5.9
107.08589	9.5
109.64179	2.5
110.03670	2.6
112.26608	2.0
117.06995	3.0
119.08568	6.3
121.02892	6.0
121.06506	3.5
121.10127	2.9
123.04494	2.6
125.06002	3.5
125.09626	8.6
126.80153	2.1
129.07088	3.5
131.08534	2.7
135.04428	28.9
135.08011	4.1
136.04794	18.3
138.03169	14.6
139.03465	7.5
145.10107	3.7
147.11658	4.7
153.05481	100.0
154.04628	4.6
154.05811	60.1
159.08081	10.3
161.09596	2.1
191.10690	18.6
192.11049	26.3
193.12251	4.0
203.12741	5.1
221.11676	4.5
289.17874	4.7
299.09079	2.7
300.09402	6.0
356.15683	14.0
356.26086	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	356.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	24.2
58.71835	9.4
65.71503	9.9
67.05498	86.0
69.07061	24.6
71.55455	14.3
71.82893	11.0
79.05476	35.6
81.07052	68.8
83.04971	44.5
91.05437	50.0
93.07044	41.9
95.04984	20.5
95.08638	23.7
97.06532	100.0
105.07045	52.9
107.08589	35.0
109.06481	14.0
109.10162	50.2
109.97182	11.6
115.31624	10.9
125.96117	11.0
131.08591	11.9
133.10121	62.7
146.27162	11.0
151.11183	46.3
153.05464	29.3
154.05782	13.1
157.10201	11.0
168.37579	9.7
172.53522	9.5
309.19089	11.0
333.19159	87.3
356.15421	11.6
356.27069	12.7
370.67572	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	356.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01866	0.9
55.05516	3.0
57.03418	0.8
57.07082	0.9
59.05003	1.0
59.79874	0.5
65.03922	1.1
67.04254	5.0
67.05503	5.7
68.05844	0.9
69.03431	6.9
69.07064	2.8
69.93863	0.5
70.03767	1.0
70.06590	1.4
71.04988	2.0
71.55236	0.8
72.08157	2.1
78.77510	0.6
79.05500	3.9
80.05013	1.3
80.05843	1.2
81.03416	7.8
81.07063	10.7
82.03758	3.0
82.06584	100.0
82.07392	2.9
83.04999	0.9
83.07388	0.7
83.08604	1.0
84.08189	0.5
85.02907	1.6
85.06534	0.8
88.04001	4.9
91.05462	3.4
92.05824	1.0
93.07064	3.5
94.07408	1.1
95.04984	1.2
95.08603	3.7
96.08947	0.6
97.02905	1.2
97.06537	1.8
97.10183	0.6
97.51287	0.5
99.04439	0.8
100.07617	18.8
103.05462	0.7
105.07054	4.1
106.07387	1.8
107.08620	2.1
109.02891	2.3
109.06506	1.0
109.10165	1.3
110.03202	0.9
110.07088	0.5
111.08121	0.7
117.06998	0.6
118.08678	1.0
119.04964	0.6
119.08573	3.9
120.08935	1.3
121.10160	3.2
122.10474	1.0
123.08107	0.7
123.11724	2.1
124.12068	1.2
126.05507	0.9
127.03906	3.2
128.07086	55.4
131.08600	0.8
133.10127	0.9
135.11728	0.5
137.05986	2.2
140.06226	0.5
141.01822	0.6
144.06551	0.6
145.06540	0.9
145.10153	0.5
146.08138	11.8
147.04442	1.0
147.11703	5.7
148.12024	4.2
149.09717	0.7
153.05444	3.4
154.05830	1.5
157.10133	0.6
161.05997	0.9
163.03941	0.9
165.12759	2.7
166.13098	2.2
167.07080	0.9
175.07503	0.6
177.05550	0.6
181.06375	0.6
182.06828	1.0
189.05522	0.7
190.05849	0.9
190.09528	0.7
200.07994	0.9
201.05424	0.6
202.05873	0.9
213.05499	1.6
214.05846	3.1
218.05388	0.5
239.07124	0.6
264.19666	0.9
268.14145	0.6
310.20181	1.6
328.12656	0.7
338.14954	2.9
338.19757	5.7
356.16025	3.3
356.20691	44.3
357.13477	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03928	3.3
54.23938	1.4
55.01843	1.7
55.05263	2.8
55.05512	38.0
57.03438	8.4
57.07077	13.7
58.98338	1.7
65.03934	3.8
67.05508	74.3
69.07070	45.1
70.06587	2.3
70.26094	5.9
71.04997	3.9
71.08613	7.3
79.05498	26.9
81.03410	1.8
81.07059	100.0
83.04984	4.0
83.08617	33.3
85.06538	4.2
88.07605	3.0
91.05463	18.8
93.07045	35.7
95.04946	1.7
95.08611	83.8
97.06520	10.1
97.10175	20.3
99.08070	3.5
105.07028	18.1
106.08669	2.1
107.08589	22.1
109.06511	3.2
109.10161	42.0
111.08081	5.8
111.11703	5.5
113.09665	2.9
116.20979	1.9
119.08585	17.3
121.10143	29.4
123.11706	25.3
125.09653	3.0
125.13267	2.8
133.10138	21.4
134.82809	1.7
135.11708	15.6
135.86641	1.5
137.09608	3.7
137.13264	11.7
141.12738	1.8
147.11696	16.5
149.13268	17.1
151.11166	2.7
151.14835	7.9
153.12714	1.6
159.11720	1.6
161.13284	19.6
163.14836	16.1
165.12790	3.1
165.16344	7.7
175.14839	14.2
177.16418	2.8
179.14172	2.5
179.17967	4.8
189.16431	7.4
193.15967	3.2
203.17889	1.8
245.22670	50.1
247.24062	2.2
263.23703	52.2
264.24088	1.7
265.25293	2.5
337.27405	31.8
338.27087	1.6
355.28564	6.6
355.33542	1.8
356.35327	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48590	2.0
53.03956	2.5
55.01866	2.8
55.05516	26.8
57.03427	8.4
57.07088	10.9
57.07315	1.9
59.16547	2.3
65.03944	2.5
67.05510	77.7
67.05872	3.7
69.07076	40.3
70.73405	5.7
71.04984	3.0
71.08624	6.8
79.05499	28.9
81.07063	100.0
83.08632	28.3
85.06512	2.8
85.10188	4.7
91.05498	20.3
93.07046	30.4
95.08614	77.4
97.06519	12.2
97.10186	18.1
105.07018	13.7
107.08590	22.3
109.10167	41.8
111.08078	5.4
111.11718	7.4
113.09645	3.6
118.54915	2.4
119.08543	12.0
121.10150	26.6
123.08027	3.1
123.11712	23.3
127.11195	2.7
129.05492	2.4
129.85922	2.2
131.08481	2.5
133.10147	16.8
134.73395	2.2
135.11690	16.5
137.13255	9.8
139.07597	2.2
140.42549	2.7
141.12737	2.4
147.11697	9.8
149.13301	13.7
151.11227	2.8
151.14821	6.9
161.13272	16.7
163.14824	13.8
165.12828	2.3
165.16423	8.5
175.14856	13.0
179.14194	2.6
179.17947	3.5
189.16429	3.3
203.18092	2.7
245.22653	49.5
250.14778	2.1
263.23697	43.9
337.27429	23.8
355.28577	3.8
356.35309	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	355.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	38.4
57.03436	9.1
57.07076	20.1
67.05170	6.2
67.05509	82.2
69.07070	43.7
69.67618	19.5
71.08637	5.3
79.05489	30.5
79.08492	3.1
81.06586	4.7
81.07062	96.9
83.05001	4.0
83.08620	31.7
85.06547	7.0
91.05422	18.3
92.46304	2.8
93.07048	39.4
95.04940	4.9
95.08614	100.0
97.06534	10.3
97.10189	21.1
101.90942	3.7
105.07030	22.0
107.08604	22.5
109.10158	45.6
111.08092	5.2
111.11690	4.0
119.08611	19.2
121.10155	35.2
123.11720	21.5
133.10103	24.3
135.11693	14.4
137.13287	6.4
147.11690	16.0
149.13257	16.8
151.14799	6.7
161.13274	9.8
161.43221	3.1
163.14832	9.9
165.16406	7.9
175.14816	10.3
181.15984	6.3
189.16414	8.0
210.73500	3.1
220.90120	3.7
245.22710	46.0
257.54944	3.2
263.23734	42.0
337.27402	22.6
355.06915	6.2
355.24576	6.7
355.28317	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03935	3.1
53.25492	1.2
55.01862	3.1
55.05514	38.5
57.03448	8.6
57.07074	13.6
65.03934	2.4
67.05509	81.1
68.05827	1.3
69.07073	44.8
69.07454	2.1
70.25680	4.8
71.05000	2.9
71.08630	5.7
79.05083	1.0
79.05493	29.2
81.07063	100.0
83.04998	2.5
83.08140	2.2
83.08624	32.6
85.06548	3.4
85.10166	2.5
87.88446	1.1
91.05466	18.0
93.07047	30.3
95.04974	2.3
95.08613	80.8
96.99555	1.1
97.06546	11.5
97.10174	21.3
98.20818	1.5
99.08100	3.4
99.59438	1.3
100.23434	1.3
103.03922	1.7
103.77277	1.2
105.07034	14.3
107.08599	24.2
109.06494	2.1
109.10161	46.2
111.08089	4.4
111.11738	7.6
113.09646	2.0
119.08590	16.6
120.13725	1.2
121.10145	28.1
123.11715	22.9
125.09648	1.8
125.13270	2.2
127.11186	1.4
129.05513	2.0
129.07034	2.2
129.09183	1.2
131.08577	1.3
133.10138	19.0
135.11708	17.5
137.09605	2.6
137.13280	9.0
145.10170	1.6
147.11678	13.0
148.11758	1.7
149.13280	13.8
150.60335	1.2
151.11176	2.5
151.14870	6.0
153.12762	2.1
161.13284	15.3
163.14844	12.3
165.16408	7.2
167.14423	1.7
168.90099	1.4
175.14819	12.3
177.16396	2.9
179.14340	2.4
179.17961	4.5
181.15923	1.8
189.16374	6.9
190.22433	1.4
190.52893	1.1
192.90532	1.4
193.15817	1.5
199.14809	1.3
207.17480	1.5
217.19598	2.8
245.22661	50.5
247.24309	1.4
253.52576	1.3
263.23730	47.3
265.25238	1.6
281.24884	1.2
301.05139	1.4
333.17477	1.4
337.27399	28.8
355.28278	7.7
355.33731	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	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
52.20045	2.0
53.03952	2.8
53.79542	2.1
55.01859	4.4
55.05511	35.9
55.94252	2.0
57.03424	8.5
57.07073	11.1
65.03930	2.7
67.05511	78.5
69.07073	40.3
69.88029	11.2
71.05006	4.3
71.08624	5.8
79.05493	24.2
81.07063	100.0
83.08628	31.0
85.06532	3.9
91.05473	19.2
93.06575	2.3
93.07059	32.4
95.04948	2.3
95.08613	88.2
97.06528	10.9
97.10172	16.9
99.08094	3.5
105.07029	17.3
107.08593	18.4
109.10172	37.1
111.08118	5.3
111.11687	8.0
113.79286	2.4
119.08585	18.2
121.10143	27.4
123.11719	18.8
125.13287	3.4
129.05479	3.8
131.08633	3.2
133.10123	16.7
135.11699	16.2
137.13269	8.2
147.11613	11.3
149.13266	13.7
151.14796	5.7
161.13252	14.9
163.14859	12.1
165.16328	4.7
175.14816	9.3
179.14325	3.9
179.17973	4.0
189.16330	4.3
213.63623	2.2
245.22681	35.1
263.23743	38.2
337.27350	18.4
355.24237	3.2
355.28281	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	355.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47961	1.1
53.03944	10.6
55.01863	4.9
55.05259	1.7
55.05511	12.9
57.03423	3.5
59.27469	1.1
65.03942	2.3
67.05170	1.9
67.05510	27.2
69.03432	41.0
69.07076	14.1
70.02068	4.1
70.06586	1.9
71.04995	7.6
72.08157	11.5
79.05499	22.4
80.05019	5.5
81.03423	100.0
81.07060	66.1
83.01336	1.2
83.05012	6.3
83.08618	5.3
85.02913	7.5
85.06536	4.1
86.09708	1.4
91.05470	32.7
93.07053	19.5
95.04975	5.8
95.08612	19.7
97.02901	12.1
97.06543	14.0
97.10166	3.4
99.04451	11.9
99.08089	4.8
103.05449	2.4
105.07040	34.9
107.04967	3.4
107.07946	1.8
107.08603	15.9
109.02892	39.6
109.06532	7.2
109.10155	5.8
111.04453	2.3
111.08122	1.9
113.05992	1.3
115.05456	3.1
117.07014	2.8
119.04956	3.4
119.08588	28.2
121.06540	2.1
121.10142	19.5
122.09648	2.1
123.08082	4.5
123.11712	22.9
125.05971	2.3
125.09615	1.8
127.03922	31.8
127.07549	3.2
128.06236	1.7
129.06984	4.4
131.04932	2.5
131.08571	3.5
133.02864	1.7
133.06516	3.2
133.10150	6.4
134.09674	7.0
135.04433	1.6
135.08087	2.1
135.11688	1.0
137.05971	9.3
137.09593	2.3
138.03137	7.1
141.06985	1.5
142.07796	1.3
143.08546	2.0
145.06491	3.9
145.10101	2.5
147.04416	11.2
147.08047	3.6
147.11696	69.2
149.02370	2.2
149.09586	3.8
151.03906	1.9
151.07539	2.2
151.11221	2.2
153.05475	53.4
155.08542	1.6
157.06535	2.7
157.10162	4.9
159.04475	1.9
161.05991	4.7
161.09645	1.8
163.03949	5.6
163.07550	1.7
163.11218	2.5
165.07019	1.8
165.12759	34.8
167.03415	5.3
167.07022	2.7
169.06474	2.7
171.04465	2.3
171.08057	1.9
173.02377	1.7
173.05994	3.8
174.06783	1.3
175.04095	1.5
175.07559	4.1
175.11186	8.0
177.05524	2.7
178.07719	1.4
179.07082	1.7
181.06465	3.5
183.13821	6.4
185.06009	4.0
187.03879	2.6
187.07602	1.8
187.11240	1.4
189.05449	3.6
189.09125	17.4
191.10634	1.3
192.13817	3.8
193.06488	1.4
193.12279	9.6
197.06018	2.4
199.03894	4.1
199.07707	1.5
201.05457	8.9
203.10742	2.1
207.08086	1.5
209.05939	2.1
211.07478	1.9
211.13344	1.4
213.05473	21.9
215.03589	1.4
215.07024	1.9
215.10727	1.4
217.04962	2.4
221.06035	1.8
223.07368	1.6
225.05370	2.9
226.06198	1.3
227.03505	1.4
227.07034	3.1
229.05032	1.5
229.14368	10.1
234.06691	1.3
235.07497	2.7
239.07172	1.3
246.18568	5.4
251.07123	1.5
262.06198	1.4
263.07092	4.0
267.10315	1.2
267.13800	7.5
277.08655	1.4
280.07333	1.3
281.08197	1.5
284.18481	1.8
290.06039	1.4
293.11832	1.3
295.09753	1.7
299.09180	3.2
301.21564	1.9
305.08072	2.5
309.11310	1.3
309.14453	2.2
311.12778	1.7
319.22665	3.6
323.09113	2.5
327.12265	1.8
335.59854	1.2
337.10541	3.2
337.14499	8.9
338.23114	4.3
355.07617	2.8
355.11581	8.6
355.15604	16.4
355.26022	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	355.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	2.3
52.00018	1.8
53.03954	11.9
55.01863	8.6
55.05515	14.4
57.03437	4.5
57.07078	2.3
65.03930	3.2
65.51486	1.7
67.05176	3.3
67.05508	43.2
69.03083	2.3
69.03433	36.8
69.06763	1.9
69.07072	17.3
71.04980	9.7
71.55391	2.7
72.08134	3.2
79.05064	3.0
79.05495	46.2
81.03421	100.0
81.06580	4.0
81.07059	72.0
83.04976	8.1
83.08605	7.3
85.02896	6.3
85.06531	5.4
89.03899	2.7
91.05476	52.5
93.07040	27.5
95.04974	15.2
95.08620	24.8
97.02928	12.0
97.06544	15.4
97.10182	2.3
99.04453	9.6
103.05459	5.9
105.03378	2.1
105.07036	50.9
107.04933	6.7
107.08599	18.6
109.02886	33.5
109.05782	1.6
109.06502	9.3
109.10185	9.6
110.22347	1.8
115.05434	8.3
117.07024	6.8
119.04927	4.5
119.08580	34.7
121.06495	3.6
121.09309	2.6
121.10146	25.2
123.04404	6.4
123.08083	4.4
123.11715	20.2
125.05971	1.9
127.03926	27.7
127.05382	1.8
127.07553	2.4
128.06163	5.0
129.07022	14.0
131.04892	6.3
131.08571	12.4
133.02838	7.3
133.06477	3.8
133.10144	12.8
135.04410	3.4
135.08032	3.2
135.11659	4.0
137.05936	6.7
141.06963	6.7
142.07796	2.3
143.04912	3.0
143.08546	3.0
145.06471	5.8
145.10080	4.7
147.04411	15.3
147.08087	4.5
147.11693	68.9
149.05960	7.0
149.09592	6.6
149.13248	4.1
153.05486	32.9
153.06808	3.8
155.08580	3.0
157.06494	9.7
157.10106	8.8
159.04507	9.1
159.11684	3.1
161.02306	13.8
161.05968	7.7
161.07271	1.8
163.03917	31.8
163.07471	3.1
163.11211	2.0
165.07008	5.0
165.12759	37.8
169.06429	4.5
171.04366	4.2
171.08031	4.2
173.02382	13.4
173.06001	10.6
173.13155	2.0
175.03955	4.6
175.07585	2.6
175.11188	10.5
176.11984	16.9
178.07877	1.9
181.06491	4.2
183.08058	2.2
183.13832	5.1
185.05949	8.7
187.03896	22.1
187.07521	2.2
187.11246	2.4
189.09148	10.7
193.12306	13.5
195.08041	3.9
197.05989	5.4
199.03918	22.7
199.07564	2.5
201.05452	7.8
203.10571	2.7
207.08098	2.4
209.05983	2.7
211.07556	6.1
213.05501	36.5
213.09035	3.0
215.06964	2.4
217.04895	2.8
221.09541	2.8
223.07587	2.8
225.05498	11.8
227.07019	7.6
229.14323	10.6
235.07454	2.8
235.13338	3.2
239.07065	9.6
253.08612	5.3
259.09769	2.7
267.13791	14.9
305.08157	2.1
309.14847	5.8
311.12732	2.9
311.16486	2.8
319.13165	6.4
323.08990	2.7
337.10391	3.2
337.13953	23.5
338.14478	2.3
355.11362	3.6
355.14923	20.4
355.26492	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	355.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.0
53.03949	9.6
55.01871	3.6
55.05518	11.2
57.03444	2.7
65.03958	3.1
67.05509	24.6
69.03435	37.9
69.07076	13.9
70.06612	2.3
71.04990	3.8
71.55972	3.0
72.08144	3.3
73.04746	2.7
78.78481	1.8
79.05502	21.4
81.03423	100.0
81.05488	2.0
81.07062	57.3
83.04988	4.7
83.08639	6.8
85.02895	6.2
85.06548	5.6
91.05442	25.0
93.07042	15.5
95.04979	6.0
95.08604	16.2
97.02936	8.5
97.06520	10.8
99.04440	8.8
99.08111	2.6
103.05466	1.8
105.07046	32.8
105.14635	2.0
107.04971	3.4
107.08612	10.6
109.02886	40.1
109.06529	5.7
109.10164	6.2
113.06016	1.7
117.07018	2.9
119.04944	4.5
119.08580	30.1
121.10141	19.3
123.04444	2.1
123.08097	3.6
123.11700	20.6
127.03930	21.6
127.07591	2.0
128.06242	2.7
129.07028	5.9
131.08592	5.0
133.06511	2.8
133.10155	5.7
135.11729	2.3
138.03130	6.0
143.08588	5.4
147.04385	9.9
147.11697	65.6
149.05963	2.5
149.09671	2.1
153.05472	47.5
157.06557	2.4
157.10170	6.8
161.06023	2.5
161.09621	2.6
163.03925	11.2
165.12775	33.0
171.08069	6.9
173.02354	4.1
173.09552	1.7
175.11230	6.7
176.12077	3.0
183.04509	2.1
183.13835	4.8
187.03882	3.9
189.09119	26.4
193.12245	10.1
199.03918	5.0
201.05504	2.9
203.10783	2.0
211.07553	3.9
211.13107	2.1
213.05508	7.8
225.05511	4.8
227.07146	2.5
229.14427	11.5
232.23007	1.7
239.07121	2.5
239.14349	2.2
267.13879	8.6
268.97803	3.0
285.01047	3.8
309.17276	3.1
337.13791	2.5
337.17227	2.7
355.07260	3.7
355.15887	9.6
355.17380	11.6
355.21613	3.3
355.26208	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	Gancaonol C
Peak:m/z	Relative Intensity
53.03934	0.8
55.01876	1.2
55.05508	1.6
58.67350	0.5
61.60223	0.4
65.03938	1.9
67.05503	4.2
68.99790	2.4
69.03424	1.6
69.07069	2.0
70.68977	1.2
72.25474	0.4
79.05501	5.9
79.23407	0.6
81.03416	7.0
81.07060	4.4
83.04997	1.3
83.08553	0.4
91.05476	16.0
93.03404	1.0
93.07070	4.6
95.04967	1.6
95.08603	1.9
97.02911	0.5
97.06525	1.4
97.10194	0.7
103.05460	1.6
105.07035	7.1
107.04964	2.2
107.08598	2.0
109.02861	0.8
109.06543	0.5
109.10173	1.3
110.03662	1.2
115.05475	2.0
117.07014	1.9
119.04939	15.4
119.08569	3.8
121.06527	1.1
121.10141	3.5
122.03578	0.6
123.04417	0.9
123.08120	0.7
123.11691	0.5
125.05996	2.1
128.06224	3.6
129.06987	1.9
131.04918	1.3
131.08560	1.3
133.06497	3.9
133.07393	0.6
133.10121	2.8
135.04437	0.9
135.11722	1.0
137.05986	11.1
138.03127	11.3
141.06996	0.7
143.08577	5.9
145.06483	2.9
145.10133	0.9
146.07300	1.5
147.04417	31.9
147.08034	1.9
147.11694	2.9
149.06015	1.1
149.09634	1.0
153.05469	100.0
154.05806	0.7
157.06517	1.3
159.04454	1.1
159.08069	1.0
160.05200	0.9
161.02412	0.6
161.06010	4.2
161.09642	4.6
163.03874	3.9
165.07011	0.7
165.12762	1.1
167.03442	0.8
171.04575	0.6
171.08057	12.0
173.02385	1.7
173.05966	2.6
174.06766	7.0
175.03912	1.2
175.07584	1.2
175.11241	0.7
179.07043	7.5
181.06485	0.8
185.05997	1.3
187.03870	1.9
187.07555	1.3
187.11226	0.7
189.09114	49.2
190.09578	0.7
199.03900	1.7
199.07532	0.7
201.05475	2.0
203.10683	8.3
211.07585	0.8
213.05525	2.2
215.07150	0.5
215.10739	3.1
225.05618	0.8
227.07056	1.0
239.07011	0.8
263.07083	0.7
267.13858	4.9
285.14966	0.6
293.11832	0.8
299.09213	1.9
304.23318	0.5
309.14771	0.5
311.12775	1.0
327.15961	0.6
337.10846	0.9
337.14349	1.2
355.12012	1.2
355.15378	27.2
356.15753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1541
Annotation	Gancaonol C
Peak:m/z	Relative Intensity
53.03943	0.5
55.01884	0.3
55.05510	0.2
65.03941	1.2
67.05509	0.7
68.99802	0.6
69.03423	0.3
69.07064	2.3
69.75443	1.2
79.05494	2.1
81.03416	0.7
81.07051	0.8
82.04198	0.6
91.05458	0.3
93.03413	0.5
93.07021	0.5
95.04975	0.8
95.08602	0.4
97.06539	0.3
105.06991	0.6
107.04964	1.1
107.08608	0.5
109.10178	0.3
110.03669	1.9
111.04468	0.3
119.08691	0.2
125.05997	2.0
135.04387	0.4
137.05992	0.3
138.03127	14.9
145.10155	0.3
147.04436	0.7
149.05972	0.4
153.05472	100.0
154.05806	1.3
155.08527	0.3
159.04437	0.5
161.05974	0.4
162.03111	0.6
163.03912	0.3
173.06001	0.4
173.09659	0.4
177.05461	2.8
191.10689	2.6
197.05991	0.4
211.07570	0.7
211.24487	0.3
215.10643	0.7
225.05586	0.4
229.08653	0.3
239.07028	0.9
253.04582	0.4
253.08670	0.4
256.07291	0.3
267.06577	0.6
271.06097	0.4
271.09595	0.4
271.22849	0.2
285.07620	0.5
286.08304	1.3
287.09378	0.4
299.09109	3.1
355.12061	0.3
355.15393	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	355.1541
Annotation	Gancaonol C
Peak:m/z	Relative Intensity
52.57258	0.3
53.03942	0.6
55.01858	0.4
55.05503	0.9
57.03425	0.4
57.07078	0.6
65.03954	1.9
67.05502	3.0
68.05829	0.8
69.03406	0.4
69.07069	1.8
70.87001	0.8
72.08173	0.4
79.05492	5.3
80.05810	0.4
81.03412	0.9
81.07045	2.7
82.04188	0.6
82.07390	0.8
83.08627	0.4
91.05474	1.2
93.07050	1.6
94.07397	0.6
95.04982	1.0
95.08614	2.1
96.08929	0.8
97.06515	0.4
105.07027	1.3
107.04926	2.1
107.08586	1.0
108.08923	0.4
109.10155	0.8
110.03648	2.2
111.04456	0.4
117.07037	0.5
119.08550	0.6
121.10141	1.0
123.11703	0.4
125.05993	2.3
131.08592	0.6
133.02850	0.6
133.10147	0.8
135.04419	33.8
135.11684	0.7
137.13292	0.4
138.03117	15.6
145.10167	0.4
147.04440	0.4
153.05467	100.0
154.05789	1.1
159.04425	0.8
159.11700	0.5
165.05464	1.1
167.18495	0.3
173.06140	0.4
176.27408	0.3
177.05496	1.4
181.06557	0.4
189.09106	0.5
191.10672	29.0
192.11057	0.5
211.07550	0.6
215.10701	0.5
235.91667	0.3
245.07899	0.4
245.21672	0.4
256.07343	0.4
261.22147	0.4
263.22806	1.1
267.06543	0.6
267.13852	0.5
271.09674	0.3
299.09149	5.3
301.23282	0.4
337.26044	0.4
355.07480	0.4
355.15323	10.1
355.27203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1539
Annotation	Gancaonol C
Peak:m/z	Relative Intensity
53.03945	2.0
55.01880	1.4
55.05507	2.0
65.03942	1.2
67.05508	4.8
68.99802	2.1
69.03433	1.9
69.07072	1.8
69.37668	3.2
69.38077	1.2
75.65718	0.7
76.99877	0.6
79.05498	7.5
81.03419	7.9
81.07066	5.9
83.04976	1.2
83.08637	1.0
91.05482	14.0
93.07040	5.2
95.04980	2.2
95.08617	2.0
97.06525	2.4
98.20750	1.2
103.05493	1.5
105.07034	6.1
107.04948	1.7
107.08591	2.2
109.02895	1.2
109.06548	0.7
109.10182	1.7
110.03645	1.6
115.05485	2.3
117.07040	1.5
117.46270	0.6
119.04953	11.4
119.08594	5.1
121.06535	1.0
121.10143	3.9
123.04466	0.9
123.08060	0.9
123.11800	0.8
125.06017	2.2
127.03918	1.2
128.06236	2.5
129.06976	1.9
131.04918	1.2
131.08620	2.1
133.02892	0.9
133.06503	2.9
133.10159	2.3
135.04407	1.2
137.05960	1.7
138.03127	10.7
141.06950	0.7
142.07880	0.7
143.08580	5.6
145.06509	3.0
145.10175	0.8
146.07307	0.9
147.04419	30.9
147.08069	2.7
147.11691	3.8
149.05960	0.9
149.09612	1.2
153.05478	100.0
154.05829	1.6
154.07869	0.6
157.06490	1.0
157.10149	1.0
158.07426	0.7
159.04465	1.8
159.08064	0.7
161.02368	1.2
161.06018	3.5
161.09628	4.5
163.03897	4.5
165.07062	0.8
165.12753	1.0
169.06543	0.7
171.08055	13.0
173.02409	1.5
173.05992	1.7
174.06781	7.1
175.03874	0.9
175.07574	1.4
175.11194	0.9
179.07042	6.3
181.06494	0.7
185.05994	0.7
187.03903	2.1
187.07568	0.7
187.11157	1.2
189.09120	48.0
190.09480	1.1
191.10577	1.2
193.12363	0.9
199.03876	1.6
199.07539	1.1
201.05403	1.6
203.10667	7.1
211.07570	0.8
213.05478	4.0
215.07079	0.8
215.10692	2.9
225.05545	0.8
236.75232	0.7
267.13818	3.4
299.08972	0.9
309.14865	0.6
319.13031	0.7
337.14413	2.0
355.11899	1.1
355.15369	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	355.1541
Annotation	Gancaonol C
Peak:m/z	Relative Intensity
53.03941	2.2
55.01880	1.4
55.05516	3.2
57.03433	1.1
57.18158	0.5
65.03941	1.4
67.05505	6.4
68.99789	1.6
69.03423	1.9
69.07052	2.3
70.14490	1.8
70.95901	0.6
73.04733	0.5
77.03939	0.6
79.05494	8.7
81.03422	13.1
81.07056	8.2
82.04218	0.6
83.04985	1.9
83.08636	1.0
89.03924	0.7
90.96702	0.6
91.05479	18.7
93.07056	6.3
95.04964	3.4
95.08619	3.9
97.02891	1.2
97.06535	2.6
97.10175	0.6
99.04477	0.7
103.05467	1.9
105.07043	9.9
105.63866	0.5
107.04955	1.9
107.08598	2.5
108.13185	0.5
109.02861	1.2
109.06520	1.4
109.10173	2.0
110.03639	1.7
115.05466	2.2
117.07010	2.3
118.56293	0.6
119.04945	12.0
119.08582	5.6
121.06452	0.9
121.10148	4.9
123.04444	0.9
123.11716	0.8
125.05998	2.3
127.03957	1.1
128.06221	4.3
129.06990	2.3
131.04935	2.4
131.08585	2.6
133.02866	1.2
133.06487	4.6
133.10149	3.4
135.08060	1.1
135.11620	0.7
137.05968	2.4
138.03136	11.8
141.07013	1.3
143.04912	0.8
143.08559	6.6
145.06505	2.5
145.10168	1.3
146.07260	1.5
147.04414	32.5
147.08066	2.8
147.11693	3.9
149.06012	1.5
149.09662	1.5
153.05470	100.0
154.05785	1.0
157.06483	1.5
157.10085	1.1
159.04437	2.4
159.08046	1.1
159.11705	0.9
160.05205	0.8
161.02330	1.1
161.06033	4.0
161.09659	4.3
163.03918	7.1
163.11253	1.0
165.06950	1.1
165.12766	1.8
165.14169	0.6
171.04387	1.0
171.08049	14.3
173.02382	3.3
173.05992	2.4
174.06763	6.5
175.03937	1.0
175.07544	1.0
175.11188	1.1
179.07088	6.8
179.08533	1.1
181.06509	0.8
185.05998	1.0
187.03882	2.5
187.07561	1.9
187.11166	1.1
189.09116	47.0
190.09386	1.0
197.05936	1.0
199.03929	2.3
199.07602	0.8
201.05496	3.1
201.09047	0.6
203.10677	6.0
205.08574	1.0
211.07613	1.2
213.05522	3.4
215.07147	0.7
215.10664	3.6
239.14093	0.7
263.07205	0.9
267.13791	7.8
283.13373	1.5
285.14868	0.7
293.11584	0.9
327.15988	1.0
337.14359	2.0
355.11890	1.3
355.15381	21.1
355.26309	0.6
356.15619	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.15
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	2.9
69.82648	3.3
70.06595	1.0
73.04751	2.4
81.07050	0.7
82.06586	6.5
85.02939	0.7
85.80598	0.8
91.05787	2.5
91.59568	0.6
93.07038	1.0
98.06050	1.4
98.20869	0.9
108.08099	1.0
110.06042	16.7
122.06048	1.2
126.05515	8.3
128.07072	1.9
136.07582	61.0
138.05501	2.2
140.07071	1.7
152.07089	2.8
164.07076	100.0
165.07426	1.5
166.05042	0.9
177.45456	0.7
182.08136	88.4
183.08493	1.4
183.16049	0.7
198.09233	0.8
212.15718	0.7
222.32675	0.7
230.08142	1.0
239.83080	0.7
256.09561	1.0
259.10858	1.6
260.09219	1.3
268.97769	0.8
271.90027	0.7
285.00912	2.2
301.11862	0.7
302.10211	2.2
319.12897	5.2
320.11423	2.0
337.13873	1.2
338.12393	1.3
355.06937	1.5
355.14932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53828	0.5
60.34803	0.5
65.03947	0.6
67.05504	2.9
70.06595	0.6
70.66782	1.4
70.67120	0.9
73.04769	1.8
82.06589	6.1
84.08175	1.0
85.02924	0.9
88.44646	0.6
91.05863	4.1
91.06313	0.8
93.05791	0.8
93.07084	0.7
95.04980	0.6
98.06070	0.8
108.08165	0.6
110.06051	18.8
122.06070	1.6
126.05537	7.0
128.07094	2.4
135.04396	0.6
136.07587	60.5
137.06064	0.6
137.07899	0.8
138.05510	2.2
140.07033	1.1
152.07108	1.8
153.05484	0.7
156.06586	0.7
163.03978	0.8
164.07077	100.0
165.07445	2.0
166.05011	0.8
182.08138	79.3
183.08469	0.8
186.09183	0.6
193.04947	0.8
214.08563	0.7
230.08084	1.2
256.09781	1.0
259.10757	1.2
260.09244	1.0
268.97760	1.4
285.00946	2.3
301.11826	1.5
302.10074	1.8
319.12698	2.3
320.11078	1.0
325.46722	0.7
355.06845	2.0
355.14673	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.14815	1.5
53.03930	3.8
55.05512	12.5
57.03426	4.3
57.07066	6.8
65.03926	2.7
67.05508	86.9
68.07224	1.4
69.07065	11.6
70.73465	4.0
71.04989	2.3
71.08640	4.4
79.05074	3.3
79.05497	47.3
81.07062	100.0
83.04944	2.1
83.08620	7.3
85.06512	5.0
85.10131	3.3
91.04962	2.2
91.05492	24.5
93.07048	70.3
95.04951	4.3
95.08613	70.8
97.06541	2.6
97.10155	3.3
99.08077	6.0
105.07048	18.6
107.08604	38.0
109.10159	27.0
111.08072	2.2
113.09653	2.7
117.07025	9.8
119.08575	12.6
121.10160	33.2
123.08114	2.1
123.11731	11.2
131.08566	23.0
133.10130	11.8
135.11710	25.7
137.04091	1.5
137.13263	6.3
145.10167	13.0
147.11693	11.4
149.09590	3.8
149.13263	18.8
151.14810	3.7
153.05487	2.1
153.12770	1.5
159.11691	14.3
161.13266	9.7
163.11205	3.8
163.14828	14.4
165.12735	2.5
165.16409	1.7
173.13272	14.9
175.14816	3.6
177.16396	7.0
179.14302	1.7
185.13264	1.4
187.14766	8.1
191.14290	1.8
195.07849	1.5
198.26384	1.6
201.09181	1.7
201.16339	2.9
233.19003	1.9
233.22620	6.0
243.21091	33.2
261.22153	74.9
279.23190	3.7
282.39169	1.7
335.25952	9.1
353.13834	3.8
353.26941	4.5
371.88043	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.25201	2.4
53.03936	3.1
55.05523	14.2
55.32906	2.2
55.93820	2.2
56.11031	2.8
57.03444	5.2
57.07085	4.8
65.49887	2.3
66.49326	2.7
67.05509	95.2
69.07078	12.4
71.04963	3.0
71.05685	3.3
71.06021	3.2
79.05502	41.1
81.07065	100.0
83.08620	7.8
87.25557	2.5
91.05476	17.3
93.07056	50.8
95.04993	3.2
95.08617	66.4
97.06562	2.5
97.10237	2.6
99.08116	3.2
105.07033	18.6
107.08603	32.5
109.10156	37.0
113.09541	2.5
117.07016	6.4
119.08564	11.8
119.33772	2.4
121.10155	20.6
122.53738	2.1
123.08112	2.8
123.11740	18.8
127.66972	2.2
131.08574	17.5
133.10123	11.5
135.11691	19.1
137.13257	8.5
145.10133	17.1
147.11688	10.3
149.13269	15.3
159.11731	14.2
161.13315	7.1
163.14859	10.7
165.12845	2.6
173.13257	13.8
175.14828	2.9
177.16472	3.9
187.14883	6.4
233.22725	3.4
243.21053	16.9
261.22174	70.8
261.24857	5.4
270.10928	2.3
279.23245	4.7
335.25833	10.9
353.26913	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3366
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05515	12.8
57.05817	1.6
57.07085	12.5
58.02967	1.9
58.06606	15.1
59.04975	1.3
60.04520	3.4
67.05521	7.8
69.06719	1.8
69.07069	21.5
70.02936	3.5
70.06595	16.3
70.69302	1.8
71.08639	7.9
72.04514	2.1
74.06075	2.7
79.05476	2.4
81.07063	18.1
82.06572	2.6
83.04977	1.2
83.08622	11.5
84.04510	1.3
84.08144	5.8
85.10175	2.4
86.06052	3.5
88.07601	1.1
91.05843	1.6
93.07016	3.7
94.06570	1.4
95.05005	1.2
95.08609	16.7
96.15961	1.2
97.06545	1.3
97.10180	9.2
98.09671	1.3
101.10653	1.1
107.08612	1.6
107.95328	1.3
108.08147	1.4
109.06455	1.2
109.10165	7.3
111.11710	3.5
113.51988	1.0
121.10139	1.4
123.08035	1.8
123.11703	4.5
137.13272	1.2
140.14322	1.5
143.23460	1.2
168.17491	5.5
168.62851	1.2
180.13852	1.3
192.50127	1.1
198.83839	1.1
207.92397	1.0
212.16428	7.8
240.19655	3.3
268.30075	1.5
294.31638	3.6
306.31512	2.1
307.29922	2.6
308.33154	4.0
314.40427	1.1
326.34152	3.7
336.32611	12.8
337.30896	1.7
354.30206	4.7
354.33679	100.0
355.34097	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	354.1183
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.02374	0.3
53.03947	0.6
57.03429	0.4
61.02915	0.3
64.31789	0.3
67.05489	0.6
69.03441	1.9
69.51128	2.3
71.04964	0.4
72.08148	0.7
73.02913	0.6
75.83429	0.3
77.03926	0.4
77.21813	0.3
81.03427	0.6
84.04469	0.3
85.02896	2.5
87.04469	0.6
91.05463	2.9
94.06577	4.1
95.04956	0.6
97.02900	0.9
98.20748	0.7
99.04424	0.3
104.05000	0.4
105.03374	0.8
107.04950	0.4
109.02879	0.6
118.06547	6.2
122.06031	5.2
127.03920	1.0
131.03557	0.4
133.02809	0.3
134.06035	1.2
136.07570	0.5
145.05037	0.5
146.06012	17.9
147.06772	0.9
148.07524	0.6
149.00603	0.7
149.04831	0.4
150.05495	1.4
162.05482	1.3
164.07082	7.1
171.62756	0.3
174.05515	100.0
175.05930	2.0
176.07040	0.9
177.05481	0.5
192.06563	55.1
193.04976	0.9
193.06839	0.8
208.04362	0.5
234.07481	0.4
265.89157	0.3
336.10657	1.2
344.77084	0.4
354.11838	47.1
355.12003	1.1
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
53.00299	2.3
53.03942	3.4
55.01866	6.4
55.05270	2.9
55.05518	46.6
57.03448	16.5
57.07082	10.5
57.97812	2.3
65.03954	3.0
65.56844	2.0
67.05511	87.3
69.03426	4.7
69.07075	38.4
69.57582	14.1
71.04998	3.7
71.08635	49.4
72.08144	4.4
79.05060	3.8
79.05497	48.9
81.07063	100.0
83.04974	7.0
83.08624	23.2
85.06564	4.8
91.05483	20.7
93.07046	47.3
95.04969	5.2
95.08614	72.2
97.06536	11.2
97.10185	24.1
98.20753	4.0
99.08099	40.8
100.67300	2.1
105.07028	16.9
107.08599	41.8
109.10172	40.6
111.08155	4.7
117.07015	7.5
119.08581	13.6
121.10166	22.9
123.08086	4.1
123.11725	15.0
125.09622	13.3
131.08582	14.3
133.10130	10.6
135.11705	26.6
137.13242	8.6
145.10152	11.4
147.11679	19.8
149.13269	14.9
151.14827	5.7
153.12764	11.5
155.10712	2.8
157.10240	2.2
159.11691	8.4
161.13310	8.1
163.11162	3.5
163.14832	15.6
165.12787	7.3
167.14432	2.6
173.11839	4.7
173.13277	10.9
175.14899	4.1
177.16389	3.3
181.15910	5.7
187.14876	5.8
189.11223	6.9
191.14290	4.0
233.22661	3.4
243.21153	15.0
261.22174	46.0
279.23233	31.9
297.07620	11.6
335.25879	2.6
339.95425	2.1
353.13876	2.9
353.26917	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	353.2687
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
55.01860	2.5
55.05518	14.6
57.03425	2.2
57.07072	8.1
57.12943	1.9
60.04027	2.0
60.10905	2.1
67.05502	21.6
69.03413	2.2
69.07075	23.7
69.96951	5.9
70.14635	2.0
71.04983	3.5
71.08349	1.8
71.08640	20.5
74.37468	1.7
79.05497	7.5
81.07066	35.2
83.04998	3.4
83.08619	7.1
85.01297	2.0
85.06547	2.9
91.05484	6.8
93.07051	15.9
95.05007	9.5
95.08611	24.0
97.06531	4.9
97.10185	3.6
99.08105	16.7
104.82186	2.1
105.07037	12.8
107.08604	10.3
109.06526	26.7
109.10156	7.6
111.08071	3.2
117.06987	3.2
117.47360	1.9
119.08562	12.4
121.06488	8.0
121.10148	6.9
123.08052	2.3
123.11726	6.0
131.08569	6.3
133.10164	10.8
135.08047	5.4
135.11671	5.7
137.09523	2.1
139.11151	4.7
145.10147	3.8
147.11742	2.8
149.09624	2.3
149.13239	4.6
159.11737	3.4
161.13327	3.4
163.11220	5.3
165.12776	55.1
166.12990	2.1
175.14908	3.2
177.12772	3.3
189.16432	2.6
189.59952	2.0
191.14314	2.8
209.18996	14.7
219.17505	3.7
237.18506	3.1
261.22198	2.8
279.19635	3.3
289.25308	23.5
299.23712	3.0
307.26312	6.3
317.24771	72.0
318.25070	3.1
333.48581	2.1
335.25827	100.0
336.26199	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77093	0.8
53.03934	1.9
55.01885	0.9
55.05514	10.1
57.03437	4.0
57.07077	4.2
57.64064	0.7
58.33469	0.8
65.03931	3.3
66.94095	0.8
67.05508	73.5
67.56696	0.8
69.07064	10.6
70.82059	1.1
70.82382	0.9
71.04990	2.9
71.08631	2.3
75.04478	1.6
79.05495	37.0
81.07059	76.7
82.07381	1.0
83.05002	1.4
83.08611	6.9
85.06573	4.1
91.05482	19.3
93.07047	47.6
95.04978	2.1
95.08611	58.0
96.08931	1.0
97.06537	3.4
97.10186	3.9
99.08092	2.7
105.07039	15.3
107.08596	34.9
109.06512	1.9
109.10159	30.6
111.08087	2.4
111.11746	0.8
113.09617	1.8
117.07030	7.9
119.08592	14.3
121.10148	28.1
123.08047	1.4
123.11710	18.6
125.09608	1.5
130.47682	0.8
131.08580	18.0
133.10133	11.4
135.11694	24.2
137.09589	1.9
137.13251	7.9
139.11183	1.0
139.43112	0.8
145.10126	13.0
147.11694	11.1
149.09624	0.9
149.12181	1.5
149.13264	18.8
151.11159	1.9
151.14801	2.3
153.12746	1.5
154.85060	0.7
159.11694	12.5
161.13275	9.3
163.11165	1.3
163.14818	12.3
165.12822	1.4
173.13263	15.5
175.14815	3.8
177.16438	3.6
179.14270	1.7
181.20421	0.8
187.14865	10.0
192.64935	0.8
199.76183	0.8
201.16353	3.5
205.15839	2.1
210.28871	0.8
215.17891	1.1
227.12671	0.9
233.22754	4.3
236.17960	0.8
243.21080	21.8
261.22150	100.0
262.22546	2.7
263.23795	0.8
279.23166	4.9
317.24728	1.1
335.25922	5.8
353.26862	22.7
354.27460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.11187	1.2
53.03942	3.8
55.01863	1.7
55.05515	14.7
57.03444	6.5
57.07077	3.9
57.47856	1.2
59.95745	0.9
65.03954	2.4
67.05509	93.9
69.07073	13.5
69.97688	1.1
70.60577	2.2
70.60921	2.0
71.04997	2.7
71.08637	2.1
75.04500	2.0
79.05499	41.4
81.07062	96.7
83.04973	1.5
83.08625	8.2
85.06578	1.9
91.05488	19.2
93.07048	49.8
93.56818	1.1
95.04992	3.0
95.08611	73.9
95.12295	1.3
97.06535	2.6
97.10172	2.8
98.21451	1.6
99.08088	1.5
105.07039	17.3
107.08598	32.9
109.06530	1.9
109.10162	36.2
111.08134	1.3
113.09637	1.2
114.76382	1.2
117.07031	7.1
119.08572	12.9
121.10150	30.0
121.59453	1.2
123.11715	21.9
125.09554	1.2
131.08577	19.2
133.10144	13.3
135.11697	28.2
137.09613	1.5
137.13261	8.9
145.10133	15.7
147.11707	11.7
149.13261	19.2
151.11200	1.3
151.14810	3.2
153.12851	1.5
159.11690	15.2
161.13271	9.0
163.14818	13.1
173.13277	15.0
175.14870	3.3
177.12744	2.0
177.16452	4.0
179.14346	1.6
187.14839	11.4
191.14348	1.2
201.16402	3.6
203.17557	1.2
205.15852	2.0
215.18039	1.5
219.17542	2.1
233.22632	4.1
243.21106	25.8
261.22162	100.0
262.22409	1.6
279.23224	8.2
317.24960	1.6
335.25824	11.4
353.26868	25.7
353.30902	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.5
53.11282	2.6
55.05511	15.4
57.03433	3.3
57.07072	7.6
65.03944	4.8
67.05508	99.7
69.07059	12.6
69.57132	14.2
69.57554	5.2
76.13064	2.7
78.45628	2.8
79.05496	43.9
81.07059	100.0
83.08636	5.0
85.06522	2.9
91.05477	24.1
93.07045	62.0
95.08610	73.6
97.10194	3.5
98.21391	4.1
99.08092	3.2
102.68475	3.3
105.07029	19.6
107.08596	43.5
109.10156	34.6
117.06996	12.8
119.08591	16.8
121.10124	32.8
123.11726	17.1
131.08571	17.2
133.10135	10.9
135.11708	29.1
137.13245	9.1
145.10118	16.7
147.11700	14.1
149.13260	23.8
152.91862	3.0
154.47064	3.1
159.11729	14.4
161.13235	13.5
163.14807	11.9
171.00684	2.6
173.13266	20.2
175.14705	3.7
187.14799	11.7
204.94183	2.6
233.22597	6.5
243.21071	27.4
261.19394	5.2
261.22147	93.7
262.22446	3.9
279.23083	3.2
305.51678	3.4
335.25812	8.9
353.26816	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15409	2.0
53.03948	3.8
55.01866	3.6
55.05521	16.8
57.03440	3.1
57.07072	5.5
58.06595	3.7
59.24328	1.9
63.41673	2.4
65.03948	3.5
65.85023	2.0
67.05509	94.3
69.07069	17.7
71.04991	3.5
71.08627	6.1
71.35880	4.2
79.05500	73.3
80.05860	2.4
81.07064	100.0
83.08617	7.7
85.06560	4.3
85.10188	4.0
89.23100	2.0
91.05489	38.7
92.05804	2.0
93.06471	4.5
93.07053	81.8
95.04967	7.5
95.08614	75.2
96.08942	2.9
97.06535	7.9
97.10167	7.2
98.09644	2.1
99.08054	2.7
105.07028	26.5
106.07330	2.6
107.08598	46.4
109.06518	4.0
109.10172	35.4
111.08053	3.8
113.09669	2.4
116.21828	2.0
117.07011	7.8
119.08582	20.0
121.10150	41.2
121.11022	2.6
123.08047	3.4
123.11726	16.6
131.08575	29.7
133.10098	18.0
135.08076	2.5
135.11691	31.0
137.09636	3.8
137.13248	8.0
137.15602	2.1
143.08464	2.3
145.10109	23.7
147.11702	14.4
149.09657	2.6
149.13266	24.9
153.12808	3.2
154.12268	5.3
155.12599	4.0
159.11707	15.3
161.13254	10.3
163.11188	2.8
163.14825	22.1
167.14398	2.0
172.13354	2.8
173.13293	20.9
175.14832	3.7
175.91954	2.0
177.16350	7.4
187.14780	14.4
196.13397	2.7
198.38304	2.3
201.16434	4.3
205.15860	2.7
233.22670	9.6
243.21098	36.2
261.22168	88.1
279.23026	2.8
316.83966	2.6
329.87445	2.7
335.25696	3.0
353.25519	11.8
354.11829	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.68266	2.3
55.05503	11.1
57.03421	7.3
57.07072	4.3
67.05511	74.9
69.07062	14.6
71.05017	2.8
71.20392	4.5
79.05495	39.6
81.07062	80.3
83.08623	6.6
91.05475	14.8
93.07050	49.1
95.05025	4.4
95.08614	65.7
97.10155	3.3
105.07020	11.3
107.08601	33.0
109.10161	41.0
111.08104	3.3
117.07006	7.3
119.08562	11.2
121.10154	32.3
123.11716	27.2
131.08577	19.1
133.10147	14.0
135.11693	28.8
137.13246	10.6
145.10143	14.0
147.11674	8.6
149.13249	21.2
151.11075	3.0
159.11748	13.1
161.13268	9.3
163.14813	12.5
173.13295	18.3
187.14772	9.5
233.22560	3.1
243.21068	28.0
261.22159	100.0
279.23199	6.3
335.25842	14.0
342.45892	3.0
353.26907	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.05503	12.8
57.03418	2.8
57.07069	3.5
65.03928	2.4
67.05506	70.8
69.07064	10.8
70.47429	6.4
71.04997	2.0
71.92443	1.6
79.05069	2.7
79.05497	37.6
81.07062	75.9
83.08608	5.1
85.06561	2.6
91.05494	17.0
93.06479	2.6
93.07049	49.6
95.08612	62.2
96.96196	1.7
97.06519	2.6
97.10136	2.6
99.08099	2.9
105.07037	14.9
107.08604	32.1
109.10160	30.8
117.07017	7.2
119.08583	11.0
121.10135	29.0
123.11702	19.7
131.08568	15.5
133.10104	13.4
135.11703	26.9
137.13234	7.5
139.11188	2.5
145.10123	13.4
147.11723	11.3
149.13289	17.9
151.14836	3.8
157.10199	1.9
159.11710	11.1
161.13248	6.9
163.14796	12.7
173.13289	14.0
175.14897	2.5
177.16354	3.7
187.14818	7.2
201.16370	3.9
219.17444	2.5
219.82724	1.9
233.22652	4.7
242.62097	1.8
243.21104	23.2
261.22159	100.0
279.23123	4.3
335.25742	6.1
353.26904	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	3.0
55.05519	12.9
57.07065	5.0
65.03925	2.4
67.05512	91.3
69.07076	12.7
70.73540	5.3
71.08634	2.7
75.33308	2.4
79.05058	4.0
79.05499	61.2
81.07065	100.0
83.08609	5.8
85.06539	2.7
91.05485	31.3
91.71197	2.5
93.06475	4.2
93.07052	81.1
95.04948	5.7
95.08617	70.2
95.09234	3.0
97.06512	5.3
97.84167	2.1
99.08092	5.3
105.07044	22.2
107.08604	45.3
109.10158	26.3
111.08099	2.2
113.09692	2.5
117.07019	8.0
118.03213	2.4
119.08590	14.5
121.10153	34.0
123.08045	2.3
123.11699	17.1
131.08578	28.8
133.10130	12.9
134.55214	2.4
135.11705	30.3
137.13257	9.8
138.03140	3.0
145.10152	15.9
147.11700	11.0
149.13280	24.5
151.14780	4.4
153.05466	19.7
159.11662	13.3
161.13287	10.4
163.11160	2.8
163.14827	20.5
173.13303	17.7
175.14838	4.6
177.16400	9.6
187.14813	14.3
204.87267	2.1
215.18056	2.4
233.22636	5.6
243.21097	36.0
261.22171	100.0
335.25830	7.9
353.13794	3.9
353.26743	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	5.2
55.01853	1.8
55.05509	14.6
57.03442	3.9
57.07065	7.3
65.03921	3.1
67.05508	97.3
69.07070	15.6
71.00916	2.3
71.01248	2.5
71.04992	4.2
71.08630	5.7
73.44501	1.6
79.05495	54.0
79.85434	1.7
80.05049	2.0
81.07063	100.0
83.04984	3.8
83.08633	12.5
85.06544	3.0
85.10172	2.0
91.05489	32.2
93.07047	73.5
95.04969	8.5
95.08611	73.9
97.06546	4.6
97.10177	4.3
99.08107	6.3
105.07041	21.8
107.07867	2.9
107.08604	47.5
109.06580	3.0
109.10163	28.2
111.08133	3.3
113.09646	2.8
117.07026	9.7
119.08600	18.6
121.10150	40.2
123.11722	15.4
125.09650	2.5
131.08580	23.1
133.10135	16.6
135.08072	5.3
135.11714	23.3
137.09605	2.2
137.13252	5.6
143.08566	3.2
145.10164	17.6
147.11671	13.3
149.09628	3.3
149.13266	18.7
151.14818	4.8
157.10158	4.7
159.11703	16.8
160.29100	1.6
161.09625	3.4
161.13216	12.8
163.11168	2.1
163.14871	15.0
173.13271	17.5
175.14861	4.0
177.12784	3.4
177.16414	7.6
185.13319	3.5
187.14807	7.6
189.16377	2.3
191.14294	3.1
197.13187	2.1
201.16373	3.7
233.22659	7.4
243.21104	26.8
261.22150	76.5
276.20471	3.8
279.23181	2.2
293.23047	4.9
335.25687	6.2
353.24719	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	353.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59158	2.2
53.03944	3.9
55.01880	2.7
55.05502	6.0
57.03432	6.6
57.06085	2.0
60.74101	2.0
61.02925	5.8
63.37301	2.1
67.05504	8.3
69.03436	27.2
69.07076	13.3
70.06595	8.3
71.05009	4.7
71.55136	3.4
72.08169	11.5
78.66299	2.1
79.05495	8.6
81.03414	9.0
81.07066	13.4
83.04984	8.1
83.08605	6.1
84.04525	4.1
84.08130	5.2
85.02909	34.0
85.06551	2.6
86.09703	4.6
91.03947	2.2
91.05498	15.4
93.07049	15.8
95.04971	18.1
95.08608	10.9
97.02907	9.5
97.06547	4.6
99.04466	7.7
105.07033	29.4
107.04955	4.2
107.08606	31.7
109.02874	5.8
109.06536	7.7
109.10153	13.9
111.04456	2.9
111.08067	3.8
117.07048	5.4
119.04960	2.6
119.08576	25.8
120.08132	3.3
121.06508	9.7
121.10144	35.4
123.04462	2.2
123.08080	10.1
124.07545	2.5
127.03906	11.1
128.06200	2.9
129.07040	4.7
131.08582	30.9
133.10133	20.4
135.08083	16.8
135.11694	23.3
136.07591	2.9
137.06004	3.0
137.09622	7.8
143.08577	6.7
143.71446	2.2
145.04903	3.6
145.10138	18.3
147.11644	18.6
149.05949	2.6
149.09615	9.6
149.13281	10.2
152.07104	5.8
153.09038	3.4
156.09262	2.4
157.10123	7.8
158.10942	7.6
159.11710	7.5
161.09610	3.4
161.13225	3.3
163.11159	2.9
163.14853	11.1
164.07089	6.6
167.07062	3.5
171.11713	6.5
173.13261	50.5
175.14828	20.8
177.05481	2.7
177.09195	2.7
189.12730	5.3
191.06905	2.7
191.14313	100.0
201.12708	3.3
209.15402	7.0
215.14278	4.4
227.14568	2.4
233.15385	3.0
291.15948	4.1
335.18442	5.6
353.10153	5.3
353.15811	3.4
353.19678	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	353.1383
Annotation	8-(3,3-Dimethylallyl)-3-methylgalangin
Peak:m/z	Relative Intensity
51.43431	0.3
53.03946	0.2
55.05482	0.7
57.03429	0.3
67.05486	1.0
69.03398	0.7
69.07043	0.8
70.06586	0.3
71.55157	0.3
73.63548	0.3
75.57078	0.2
78.04702	0.5
79.05461	1.1
81.03411	0.5
81.07060	1.8
83.08605	0.3
85.02894	0.4
89.03895	0.5
91.05484	1.3
93.07051	1.4
95.04963	0.6
95.08614	1.2
97.02882	0.5
97.06501	1.1
105.07005	1.2
107.04928	0.6
107.08597	1.2
109.06512	0.5
109.10135	0.9
111.08070	0.5
117.03408	0.5
117.07011	0.5
119.08553	1.0
120.02039	0.4
121.06469	0.3
121.10146	1.0
123.04464	0.3
123.11707	0.5
129.06979	0.4
131.04912	0.6
131.08569	0.6
133.10101	0.9
134.03642	12.4
135.08063	0.4
135.11702	0.4
137.05940	1.1
138.03107	0.7
141.06995	0.9
143.08507	0.3
145.06490	0.3
145.10114	0.9
147.04352	0.6
147.08041	0.3
147.11688	0.5
149.02324	0.9
149.09607	0.5
152.06204	0.8
153.05460	2.9
153.06964	3.1
155.04848	0.6
155.08487	0.3
157.06444	0.3
157.10123	0.3
159.11656	0.5
161.02330	0.4
161.05974	0.3
161.09586	0.4
163.07474	0.3
163.11137	0.4
165.07021	0.7
165.12776	0.3
166.02704	0.3
167.03320	0.5
167.07074	1.4
169.06461	1.1
170.07240	0.9
171.11708	0.3
172.05235	0.3
173.06003	0.3
175.14845	0.3
177.12555	0.3
181.06499	4.6
183.04416	0.8
185.05939	0.4
185.09634	0.3
187.07541	1.3
191.07069	1.5
191.10599	0.3
197.06026	0.8
198.06769	1.0
199.07521	0.5
201.09129	1.4
203.14313	0.3
209.05992	3.5
223.07547	0.3
225.05453	3.3
226.06253	4.4
227.06969	0.4
231.59325	0.2
233.09654	0.3
235.07533	0.3
237.05472	10.3
238.05840	0.4
247.07544	0.3
250.06125	0.4
251.07187	0.4
253.04987	0.3
254.05775	1.3
261.09161	0.7
265.04987	7.9
269.08139	1.0
270.08722	0.5
278.09354	0.4
279.06583	0.3
281.04468	3.0
282.05240	20.5
283.05801	1.1
289.08484	0.5
293.07901	0.4
293.11816	0.3
294.05023	0.3
297.07581	100.0
298.08032	3.1
309.07718	0.3
321.07474	0.3
321.11288	1.1
325.10876	0.5
325.14307	0.6
338.11575	1.2
353.13843	79.3
354.14111	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	352.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.05492	20.5
57.03432	7.3
57.07067	15.1
57.71372	6.4
67.05505	98.6
69.07056	24.6
69.46379	47.3
71.04989	6.5
71.08617	9.5
74.17509	6.1
74.66701	6.5
79.05491	61.3
79.99245	6.3
81.03461	6.1
81.07056	100.0
83.04958	9.3
83.08591	18.0
91.05500	34.3
93.07051	71.0
95.04943	8.4
95.08138	6.9
95.08626	75.8
97.06531	8.4
97.10150	8.6
105.07034	30.8
106.07338	8.4
107.08600	42.5
109.10179	36.3
117.06993	15.1
119.08578	30.4
121.10173	46.0
123.11720	22.1
131.08551	29.4
133.10115	22.6
135.11702	32.6
137.13249	7.5
145.10149	22.1
147.11659	7.1
149.13246	14.3
159.11647	20.1
161.13271	8.7
163.11125	8.6
187.14781	11.6
227.12691	12.3
243.20999	10.4
261.22137	55.2
275.20041	30.8
279.23209	7.8
352.23462	45.4
353.26959	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	353.0845
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
67.05743	3.8
68.62946	3.6
71.19763	8.1
82.30489	3.5
117.33624	4.3
241.79453	3.7
245.17613	3.9
271.17172	4.6
294.93192	3.7
322.28506	4.0
353.08429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2847
Annotation	Melophlin R
Peak:m/z	Relative Intensity
55.05307	1.1
55.05517	14.3
56.05029	5.7
57.07079	2.7
58.02962	9.9
58.06592	3.7
60.04525	1.7
65.03939	2.6
67.04263	1.6
67.05511	44.0
68.05033	1.1
69.07076	23.2
69.77761	5.1
70.06599	54.6
71.05004	1.7
71.08634	1.2
72.08166	1.6
79.05074	1.4
79.05503	26.4
79.05958	1.6
80.05019	1.8
80.46405	0.9
81.05801	2.1
81.07063	37.5
82.06584	18.5
83.04982	2.3
83.07370	1.2
83.08621	10.0
84.04515	8.6
84.08141	3.0
85.06535	2.2
86.09705	2.1
91.05494	11.9
93.07059	24.4
94.06579	12.6
95.04951	4.0
95.07315	2.2
95.08617	23.0
96.08141	17.5
97.06496	1.9
97.10184	3.1
99.08139	1.2
100.11251	1.6
105.07029	8.7
106.06560	3.0
107.07352	1.1
107.08595	14.6
108.08119	4.4
109.06517	2.5
109.08913	2.0
109.10168	18.0
110.09731	2.1
114.12794	6.7
117.07025	1.7
119.08602	6.0
121.10155	8.8
122.09666	2.1
123.08101	3.0
123.11694	2.7
124.11281	1.1
125.09642	1.1
126.12804	46.5
131.08578	2.7
133.10126	4.9
135.11743	6.7
137.09663	1.8
137.13235	1.9
137.96764	1.2
138.12784	2.2
143.08620	1.7
145.10104	3.7
147.11674	2.9
149.13283	3.0
152.14365	4.3
153.12686	2.3
154.12291	13.5
156.13812	2.3
159.11702	2.0
161.13248	3.0
162.12785	2.3
163.11145	2.0
163.14838	1.8
163.73528	1.2
164.14360	1.9
165.12880	1.1
166.15930	34.4
168.13847	2.7
175.14937	1.5
180.13861	7.3
183.68796	1.3
185.13318	1.6
190.29729	1.1
192.17448	1.5
196.13327	1.4
200.16446	3.1
210.14996	1.6
212.16486	43.1
220.16968	10.1
240.15985	7.7
245.22618	2.3
252.19609	58.7
302.24789	1.5
303.23267	3.0
305.24768	1.7
317.24741	1.6
320.25974	1.4
322.27328	1.8
334.27432	11.3
352.28461	100.0
353.28760	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	352.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88409	0.7
52.31823	0.9
53.03942	0.9
55.01866	1.5
55.05510	1.0
56.96560	3.3
57.03430	2.2
58.06595	2.5
61.02916	2.7
65.77293	0.8
67.05497	2.3
69.03081	0.9
69.03432	12.0
69.07057	2.9
70.06209	1.0
70.06596	20.2
71.04984	2.6
71.54768	1.1
72.08154	3.8
73.02917	1.9
74.06098	1.2
81.03421	4.2
81.07071	0.9
82.06574	1.4
84.04514	2.0
84.08154	7.0
85.02427	1.5
85.02912	22.1
85.03421	1.2
86.09707	6.8
87.04483	4.7
88.07632	1.0
97.02890	7.2
98.06047	1.7
98.97581	4.0
100.07639	14.7
109.02876	3.7
110.07162	1.5
114.09148	1.1
116.07103	5.1
116.98595	2.2
118.08640	3.8
118.98704	0.9
120.08097	1.2
126.12799	20.9
127.03913	6.7
130.08714	1.1
134.99600	1.0
136.07603	1.4
137.05945	1.3
144.13844	66.4
145.04982	3.2
156.07724	1.1
158.99611	1.0
161.64102	0.9
163.03944	0.9
166.08696	1.1
172.13329	7.5
177.00693	1.1
190.05031	0.9
190.08649	2.4
190.14392	100.0
191.14577	1.3
214.14391	0.8
226.10399	1.0
242.25494	0.8
262.12833	4.2
274.94299	0.9
281.81265	0.9
316.17584	1.0
352.15582	1.7
352.19672	16.9
374.65442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14594	2.4
51.98032	2.5
53.03942	6.6
55.01871	5.7
55.05518	2.6
56.75560	3.1
57.03460	6.5
57.35287	2.4
61.02924	5.7
67.05502	5.4
68.99805	2.4
69.03434	40.0
69.07074	88.9
70.06587	9.1
71.04994	5.5
71.55095	3.9
72.08160	10.3
73.02933	6.3
81.03416	23.3
81.07075	4.5
83.04964	2.5
83.08627	3.7
84.04517	2.8
84.08138	5.9
85.02910	100.0
86.09711	9.9
87.00842	44.0
91.03976	3.1
91.05482	4.2
93.07102	4.0
95.04988	3.0
95.08646	5.1
97.02903	63.1
99.04459	11.9
105.01875	84.7
107.18793	2.8
108.15937	2.6
109.02884	24.0
109.10142	3.1
119.04966	3.2
120.08166	6.0
123.04464	2.8
127.03923	82.8
129.01823	3.5
129.10287	2.7
145.04964	62.3
159.02899	17.0
164.07205	2.7
167.07101	5.0
177.05527	3.0
177.09204	4.2
191.14253	4.0
195.10048	4.2
213.03879	3.3
219.86621	2.8
231.04985	22.7
249.06070	13.6
352.12234	2.8
352.19516	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	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.1
55.05511	6.1
57.03446	7.8
60.04529	8.8
61.02936	5.0
63.53748	3.4
66.76547	3.7
67.05515	8.4
69.03435	40.0
69.07076	87.5
69.84280	10.1
69.84689	6.8
70.06602	19.0
71.04993	5.1
72.08160	60.3
73.02920	7.6
81.03425	25.5
81.07067	11.4
83.04955	3.5
83.08635	3.4
84.04498	8.6
84.08178	7.6
85.02912	100.0
86.03295	3.3
86.09702	22.7
87.00837	49.0
91.05486	7.9
93.07070	4.6
95.04980	5.9
95.08623	6.8
97.02901	68.7
99.04463	17.7
105.01881	92.6
105.07063	3.7
107.08582	4.6
109.02899	24.2
109.10162	9.2
110.06062	4.5
110.07211	4.7
119.04901	4.4
119.08591	5.0
120.01211	4.5
120.08112	28.2
121.06541	4.2
124.12003	3.6
127.03933	88.0
128.07114	5.8
136.03969	7.1
136.06218	31.1
136.07571	29.1
137.09628	4.6
145.04970	61.4
147.04404	6.6
153.06792	4.1
155.10698	9.6
159.02905	14.5
159.11298	7.9
166.08623	19.6
187.10750	16.0
193.09778	13.7
207.11394	4.5
211.07301	4.0
220.11908	32.8
231.05037	24.9
249.06015	14.3
253.11842	18.5
284.58667	3.6
287.73584	3.6
291.10443	5.1
306.14484	5.8
320.13458	9.4
321.07452	3.5
352.16016	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	352.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
56.26646	0.8
61.02938	1.2
65.03951	1.1
67.05513	13.4
67.48968	0.9
68.38527	0.7
69.03436	1.9
69.07058	1.3
70.06587	5.0
70.48430	2.4
71.05003	6.4
72.08166	3.2
76.71622	0.8
79.05498	1.0
81.03414	1.5
84.08145	2.4
85.02924	6.1
85.06548	22.0
93.07040	1.0
95.04365	1.9
95.04974	33.5
97.02909	2.7
99.04452	1.5
99.08093	0.9
104.10106	0.8
105.07033	1.3
105.15664	0.8
106.06574	0.9
107.08605	1.6
109.10179	1.4
113.06002	5.7
127.03945	1.1
127.07568	18.2
131.04945	1.1
136.06187	7.4
141.05476	34.3
155.07045	100.0
156.07565	1.6
159.06577	1.9
173.08118	35.7
173.11752	1.3
175.11887	1.0
180.08647	1.3
191.07024	1.1
209.79561	0.9
336.87366	1.0
352.21429	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.00495	0.4
57.03416	0.5
58.97648	0.4
61.02914	0.5
65.03936	0.7
67.05177	0.5
67.05510	7.4
69.03429	1.1
70.06588	1.5
70.12236	0.8
70.12636	0.8
71.04991	0.6
72.08159	0.8
75.76001	0.4
81.03439	0.4
85.02904	3.1
85.06552	1.1
85.13889	0.4
95.04973	9.4
97.02881	1.6
99.08073	0.6
107.04955	0.5
113.06028	3.6
120.08098	0.5
123.05618	0.5
126.20801	0.4
127.03940	0.6
127.07554	1.1
141.05472	100.0
142.05814	1.2
145.04951	0.6
151.42210	0.4
155.07042	11.2
159.06514	3.7
173.08110	7.7
174.81450	0.4
180.08743	0.9
182.08159	0.9
218.43359	0.5
219.56985	0.4
326.09540	0.4
352.21478	0.4
353.10507	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.01865	8.7
55.05513	43.1
57.03449	29.3
57.27518	4.6
65.03927	6.4
67.05507	68.3
69.07070	30.1
70.25478	15.7
71.08631	59.4
79.05492	72.4
81.03418	13.5
81.07063	100.0
83.04976	11.1
83.08619	22.4
84.19404	5.4
85.06569	7.1
91.05479	46.0
93.06483	5.8
93.07047	89.2
95.04971	14.5
95.08616	67.2
97.06516	15.1
97.10156	10.2
99.08099	47.8
99.64552	6.3
105.07018	46.4
107.04954	10.7
107.08598	57.3
109.10141	25.8
117.07053	9.3
119.08585	49.9
121.10140	39.2
123.11660	5.4
125.09692	5.4
131.08588	17.4
133.10168	40.9
135.11682	52.7
137.09598	8.5
140.98418	6.4
141.09113	4.8
143.08591	5.4
145.10103	14.8
147.11702	31.3
149.13293	17.0
151.11166	21.6
159.11679	7.6
161.13225	23.3
163.11139	9.6
171.11658	6.6
175.14853	9.9
177.12759	5.1
179.14301	94.0
185.13292	5.7
189.00490	6.0
235.16850	6.5
241.19403	10.8
259.20660	23.6
277.21582	55.0
286.85690	6.7
351.25357	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
54.16682	2.8
55.01875	7.5
55.05518	28.8
56.51220	2.6
57.03441	13.9
57.07075	5.3
61.79392	2.7
65.03930	4.4
67.05180	4.0
67.05512	59.7
69.07063	20.7
71.04973	7.8
71.08627	11.4
71.55416	6.5
79.05498	69.2
81.03421	5.6
81.07062	76.1
83.05020	6.1
83.08614	11.4
85.06504	5.9
91.05489	58.9
93.06473	5.4
93.07053	100.0
95.04977	10.2
95.08611	54.0
97.06546	7.2
97.10165	5.0
99.08102	10.4
105.06384	5.5
105.07038	64.5
107.08598	54.1
109.06551	5.1
109.10183	20.9
111.08110	5.9
112.51500	2.8
115.05445	2.9
117.07017	15.2
119.08592	52.4
119.38486	2.7
121.06521	5.6
121.10138	47.5
123.08106	3.2
123.11668	5.3
129.07030	10.7
131.08606	16.1
133.10132	51.2
135.08054	5.0
135.11711	42.7
137.09621	3.9
143.08572	12.7
145.10135	31.1
147.11703	52.7
149.09604	4.1
149.13306	29.3
151.11195	3.1
157.10130	11.2
159.11700	21.7
161.13263	39.3
163.11162	8.1
163.14838	7.5
171.11661	18.0
173.13252	13.7
175.14851	23.3
177.12788	5.3
185.13220	15.6
187.14847	4.2
189.12727	3.9
195.13861	3.2
199.14838	6.7
203.14377	3.5
213.16412	4.6
231.17685	3.1
231.21072	10.4
241.19539	28.1
259.13278	3.3
259.20602	86.3
277.21701	23.8
333.24234	3.5
351.25546	70.2
352.25357	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.01864	3.7
55.05512	20.0
57.03433	11.3
57.07065	3.9
65.03927	4.8
67.05506	57.7
69.03438	3.3
69.07069	26.1
70.06579	2.6
70.15607	2.5
70.15939	8.1
71.04995	4.7
71.08633	9.2
72.08160	2.4
75.04434	2.4
79.05492	69.6
81.03413	3.0
81.07063	75.1
83.04978	7.9
83.08626	12.4
84.08138	4.6
85.06544	5.5
91.05486	58.7
93.07048	100.0
95.04987	11.5
95.08612	47.4
96.08136	2.8
96.08887	2.9
97.02905	3.2
97.06509	5.6
97.10165	4.6
99.08101	10.8
105.07031	56.9
107.04960	4.2
107.08600	52.8
109.06516	5.8
109.10137	20.9
111.08113	3.8
113.09665	3.9
117.07026	12.1
119.08590	54.6
121.06510	3.2
121.10158	46.6
123.08107	2.6
123.11663	3.4
125.09618	4.6
127.03917	3.3
129.05449	2.5
129.06996	8.5
131.08566	22.9
133.10138	53.0
135.08041	4.6
135.11694	42.1
137.09596	5.7
143.08583	10.7
145.10132	26.0
147.11697	48.4
148.12073	2.8
149.09637	4.8
149.13272	21.6
151.11166	7.5
154.28922	2.2
157.10187	10.7
157.39195	1.9
159.11694	23.8
161.09662	3.2
161.13272	35.0
163.11156	5.9
163.14815	8.3
165.12796	3.7
169.10127	3.2
170.10895	2.4
171.11702	14.2
173.13268	13.6
175.11218	2.3
175.14827	16.9
177.12720	4.6
179.14258	3.0
185.13274	18.2
187.14769	2.5
189.12721	3.7
190.48656	2.1
199.14859	8.7
201.16489	2.6
207.13719	2.6
213.16412	3.9
215.17978	2.6
217.19588	5.7
231.21089	8.7
241.19536	24.4
259.20587	84.1
260.20877	3.8
277.21637	20.1
292.22610	3.5
315.23276	2.4
333.24100	9.5
351.12094	8.2
351.16354	5.0
351.21362	45.4
351.25250	55.6
352.25238	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01847	2.3
55.05515	16.9
57.03438	4.7
59.79441	1.6
62.36241	1.9
65.03949	2.3
67.05513	38.0
69.07068	11.4
70.81114	2.5
70.81438	3.2
71.05008	2.6
79.05073	3.2
79.05496	48.9
81.07059	41.9
83.08607	7.8
85.06562	3.0
90.02710	2.1
91.05486	51.8
93.06479	3.6
93.07049	69.0
95.04927	3.4
95.08605	29.5
97.06564	2.6
97.10175	2.2
99.08092	4.1
105.07033	57.4
107.08598	41.3
108.08891	1.8
109.06515	2.2
109.10181	11.5
111.08084	2.0
113.09639	3.1
117.07021	11.9
119.08581	53.6
121.10139	30.4
129.07002	7.7
131.08582	21.6
133.10147	49.2
135.08153	2.1
135.11694	34.0
143.08563	9.0
145.10129	20.8
147.11681	50.8
149.09596	3.6
149.13254	20.5
157.10156	10.0
159.11687	18.1
161.09576	2.0
161.13261	34.8
163.14809	5.5
171.11679	13.2
173.13260	11.2
175.14827	16.2
177.12717	2.7
185.13278	10.2
187.14832	3.8
189.12822	2.1
199.14804	7.8
203.28618	2.0
213.16356	5.1
217.15878	2.0
231.17465	4.6
231.21095	10.2
241.19547	28.7
259.20590	100.0
260.20773	4.2
277.21616	5.5
306.91727	1.9
333.24188	2.3
351.25302	58.8
366.70465	2.2
370.18304	2.0
370.67014	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.8
53.03945	6.0
53.94357	1.7
55.05293	1.7
55.05515	15.1
57.03426	8.1
57.07063	2.3
67.05175	3.3
67.05508	42.3
69.07066	15.8
69.62693	10.1
71.05000	2.5
71.08623	5.3
79.05496	60.0
81.07062	48.0
83.05005	2.2
83.08604	5.2
84.06506	2.2
84.71572	1.5
85.06546	3.6
91.05486	55.4
93.07050	76.2
95.04967	6.7
95.08047	2.9
95.08616	37.0
97.06532	4.3
97.10133	2.1
99.08108	5.3
105.07037	61.6
107.08598	47.9
109.06526	3.0
109.10163	11.9
112.20855	1.8
113.09669	2.8
117.07018	15.1
119.08588	56.8
121.10161	33.5
123.11717	3.7
125.09637	2.3
129.07025	9.7
131.08586	19.5
133.10136	47.5
135.08089	3.0
135.11693	35.4
137.09631	2.4
143.08554	8.6
144.09448	1.7
145.10123	22.7
147.10532	2.7
147.11694	47.0
149.13284	20.3
151.11235	4.8
157.10136	10.8
159.11684	21.9
161.13281	38.2
163.11171	1.8
163.14835	5.1
165.12819	2.0
171.11694	18.7
173.13303	11.7
175.11174	2.3
175.14876	18.9
177.12772	4.5
177.16379	2.2
179.14346	6.6
181.06027	1.9
185.13268	15.7
187.14813	3.5
189.12740	3.5
199.14874	8.8
203.14319	2.0
216.70207	2.2
217.19571	3.2
231.17427	4.2
231.21198	9.3
241.19536	30.4
259.20584	100.0
277.21616	7.5
314.14120	1.8
351.25317	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
54.51822	2.3
55.05509	18.9
57.03430	8.6
57.07067	2.8
65.03934	2.3
67.05173	3.4
67.05505	47.5
69.07077	16.6
71.04986	4.6
71.08618	5.5
71.20303	4.0
78.13421	2.3
79.05500	76.5
81.07063	61.5
81.48267	2.3
83.04950	2.5
83.08618	8.5
85.06522	3.5
91.05488	57.2
92.29048	2.4
93.07050	100.0
95.04975	7.4
95.08608	37.9
97.06533	3.8
97.10180	5.0
99.08086	8.2
105.07039	61.1
105.07677	2.5
107.08602	55.3
109.10162	16.6
117.07023	17.3
119.08586	53.2
119.98292	2.4
121.10155	47.3
123.08092	2.5
123.11737	6.4
125.58237	2.3
129.07021	9.9
131.08600	27.0
133.10138	50.8
135.11696	51.8
143.08522	11.0
145.10136	22.6
147.11696	52.6
149.09676	3.1
149.13271	27.9
151.11246	4.9
157.10150	8.3
159.11697	16.7
161.13283	39.5
163.11177	5.8
163.14827	10.2
171.11662	14.8
173.13255	11.0
175.11153	3.0
175.14804	21.3
177.12758	3.3
179.14336	10.0
185.13275	14.8
189.12793	4.6
195.43513	2.2
199.14830	9.1
203.14409	4.4
213.16434	8.7
213.88046	2.4
215.17908	2.5
217.19481	6.0
221.15152	2.4
231.17467	4.9
231.21114	4.6
235.59790	2.3
241.19540	31.6
259.20596	92.5
260.20883	2.8
277.21719	21.4
280.56921	2.4
286.57462	2.4
333.24390	8.1
345.11005	2.3
351.25275	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.8
55.05515	18.6
56.47598	1.9
57.03430	7.4
57.07067	2.4
57.49568	2.1
67.05175	3.5
67.05513	53.6
69.07076	19.7
70.17957	8.5
71.05000	4.3
77.03915	2.3
79.05501	67.8
81.07065	55.9
83.08614	8.6
85.06548	2.4
91.05489	53.1
93.06472	4.7
93.07050	83.2
95.04948	3.4
95.08613	45.6
97.06517	3.4
97.10165	4.3
99.08109	2.8
105.07033	53.9
107.08607	48.2
109.06484	2.8
109.10184	12.8
117.06985	10.9
119.08582	52.1
121.09318	3.2
121.10156	45.9
123.11730	3.9
129.07004	8.6
131.08597	21.8
133.10141	44.3
135.08092	3.1
135.11711	46.9
143.08585	9.2
145.10136	21.4
147.11703	44.4
149.09607	3.3
149.13260	34.0
157.10106	6.9
159.11673	20.3
161.09648	3.0
161.13263	35.1
163.14839	9.3
171.11713	14.7
173.13272	9.0
175.14857	15.7
185.13271	8.8
187.14886	4.8
191.14346	2.6
199.14760	6.1
213.16403	2.9
231.21164	7.4
241.19531	33.8
259.20599	100.0
266.02924	2.5
277.21570	11.8
333.24295	7.7
334.53418	2.3
351.25311	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60815	1.9
53.03938	4.8
55.05512	18.9
57.03422	7.4
57.07070	3.8
65.03935	2.8
66.09296	2.3
67.05506	52.2
69.07069	16.8
70.75492	4.3
71.04986	3.1
71.68903	1.9
75.04462	2.2
79.05501	64.8
79.05965	3.6
81.07062	55.0
83.04980	2.4
83.08604	9.2
85.06541	4.4
86.47355	1.9
91.05487	56.7
93.07052	90.8
95.04950	4.5
95.08613	44.3
97.06541	4.2
97.10162	4.8
99.08075	4.9
100.21676	2.1
100.24364	1.9
105.07038	57.4
107.08609	56.2
109.06538	2.6
109.10186	14.2
111.08104	2.2
113.09586	2.5
115.05473	2.4
117.07026	13.5
119.08585	59.4
121.10149	44.3
123.11723	4.5
127.07494	2.3
129.06992	7.3
131.08588	20.6
133.10144	53.4
134.10512	2.4
135.11714	41.8
143.08556	12.2
145.10133	20.7
147.11693	51.8
149.09622	2.7
149.13281	27.8
157.10167	11.0
159.11696	19.0
161.13278	45.9
163.11188	5.6
163.14841	13.1
168.83635	2.4
171.11700	17.2
173.13300	12.8
175.11217	3.9
175.14848	25.8
177.12785	4.7
185.13303	15.7
187.14867	4.7
189.12727	2.8
199.14812	7.2
203.14278	4.2
213.16350	4.0
215.17961	3.0
217.19528	5.2
231.17448	2.7
231.21068	9.8
241.19502	38.0
259.20584	100.0
277.21622	17.3
333.24225	12.7
351.25293	73.7
371.74728	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01860	2.2
55.05502	11.5
57.03426	5.4
57.07067	4.7
60.71077	1.9
67.05170	2.8
67.05507	36.4
69.07064	13.5
71.00358	2.6
71.00699	4.3
71.04985	3.1
72.03953	1.9
77.03934	2.1
79.05060	3.6
79.05495	51.9
81.07056	42.1
83.08622	4.6
85.06561	2.6
91.05486	58.3
93.06473	4.0
93.07047	68.4
95.04967	5.6
95.08611	29.9
97.06525	4.6
99.08096	5.3
103.05364	1.8
105.07033	51.4
107.08599	41.7
109.10149	9.1
112.64168	1.7
117.07018	12.4
119.08591	49.5
121.10149	28.4
123.08061	2.1
125.09621	2.6
129.06996	11.3
130.07744	2.3
131.08577	21.7
133.10143	43.9
135.11699	30.7
143.08580	9.2
145.10115	25.0
147.07933	1.9
147.11693	40.3
149.09569	2.2
149.13251	16.5
157.10188	11.2
159.11714	19.2
161.09576	3.0
161.13263	36.3
163.11160	2.3
163.14830	5.8
171.11690	13.2
173.13234	10.9
175.11276	2.3
175.14815	19.1
177.12787	2.5
185.13289	13.3
187.14838	4.1
199.14813	6.7
203.14238	2.2
213.16396	3.6
217.19446	3.0
231.17477	2.6
231.21082	10.8
241.19493	31.3
253.85461	1.8
259.20590	100.0
277.21634	4.5
333.24078	2.5
340.27670	1.9
350.04376	2.1
351.25348	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
51.05453	0.8
52.49400	0.8
53.03936	3.5
55.01876	4.5
55.05265	1.7
55.05514	22.4
57.02118	0.9
57.03196	1.0
57.03442	15.7
57.07070	4.2
57.11917	0.9
65.03935	3.5
67.05508	59.1
69.03419	1.2
69.07069	19.7
69.98683	4.6
71.04982	2.8
71.08635	52.5
72.08141	1.6
79.05497	51.5
79.05959	2.5
81.03418	8.8
81.07061	59.0
83.04980	11.9
83.08626	10.9
85.06545	4.5
91.05485	38.3
91.05932	0.8
91.06066	1.3
93.07050	66.5
94.07387	0.8
95.04973	14.2
95.08612	37.9
97.06548	11.7
97.10175	5.3
99.08102	36.0
105.04556	1.0
105.07035	26.8
107.04948	7.7
107.08602	36.6
109.06526	3.7
109.10169	16.6
111.08043	1.8
113.09679	2.6
117.07034	6.1
119.08584	21.2
121.06516	2.9
121.10149	30.4
123.08073	4.1
123.11726	2.4
125.09651	2.3
127.07523	0.9
127.11192	1.8
128.06171	0.9
129.07007	3.2
131.08585	7.9
133.10139	17.5
135.08066	1.4
135.11702	34.4
136.12067	1.4
137.09625	3.5
137.13257	1.6
139.11189	2.2
140.98457	2.2
141.06944	1.0
141.09120	5.0
143.08575	3.8
145.10132	5.9
147.08025	1.9
147.11690	10.4
149.09645	1.7
149.13275	14.5
151.11188	21.3
153.12747	2.6
157.10115	4.2
159.11713	5.5
161.09668	1.3
161.13248	14.5
163.11174	8.3
163.14828	3.3
165.12663	1.9
167.10759	1.5
169.16223	0.9
171.11746	4.6
173.13335	3.1
174.98990	1.4
175.14874	3.8
177.12793	5.1
179.14317	100.0
180.14650	1.9
181.12303	1.2
183.11670	1.9
185.13316	3.2
187.14825	1.5
189.12778	2.7
195.13782	2.1
199.14862	1.7
203.14380	1.6
205.60092	1.0
213.16386	1.6
221.15390	2.7
231.21431	1.3
235.16957	5.6
241.19548	4.0
259.20593	14.3
277.21637	40.2
333.13480	1.1
351.25375	34.1
352.24985	2.5
369.30432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03934	0.9
55.01875	0.6
55.05501	2.0
57.03434	0.9
57.07053	0.6
64.87119	0.5
65.03936	0.6
67.05508	5.2
69.07077	2.4
69.60302	0.4
70.45634	0.7
70.45966	0.8
71.05001	0.5
71.08619	1.9
72.08160	0.5
79.05493	6.1
81.03391	0.9
81.07065	6.9
83.08622	1.1
91.05485	4.4
93.07057	6.1
95.04981	1.1
95.08615	4.0
97.06544	1.0
97.10181	0.7
99.08098	1.5
105.07025	5.0
107.04925	0.6
107.08600	4.3
109.10143	2.1
111.04253	0.5
114.80025	0.4
117.07001	1.0
119.08578	3.9
121.10139	3.1
123.11699	0.6
127.06559	0.5
129.07043	0.6
131.08594	1.3
133.10120	3.2
135.08080	0.8
135.11697	2.9
137.09651	0.5
143.08542	1.3
145.10138	1.9
147.08020	0.6
147.11734	2.6
149.09622	0.8
149.13235	1.5
151.11208	1.5
157.10147	0.6
159.11713	1.6
161.13266	2.1
163.11238	0.8
163.14789	0.7
171.11684	1.1
173.13380	0.5
175.14862	1.0
179.14328	0.8
185.13228	0.9
235.13071	0.8
241.19630	1.2
245.15210	1.5
254.04222	0.5
259.20618	3.9
275.20068	0.6
277.21661	2.3
333.20352	3.0
333.23972	0.6
351.21423	100.0
351.25113	4.6
352.21387	2.7
368.58252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2321
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
52.11661	2.0
53.03939	4.5
55.01857	5.5
55.05517	13.9
55.08475	2.5
57.03434	2.4
57.07055	3.3
60.10103	2.3
63.36222	2.5
67.05511	26.2
69.06793	2.0
69.07076	21.2
71.04983	2.5
71.08646	2.8
79.05495	23.1
81.03397	3.3
81.07060	30.6
83.04980	2.3
83.08603	9.1
85.06510	3.3
91.05476	21.2
93.06569	2.8
93.07054	33.4
95.04971	6.8
95.08616	35.1
96.35844	2.3
97.06513	9.0
97.10176	3.2
99.04459	2.8
99.08085	3.8
103.05473	2.6
105.07043	40.4
107.08601	33.0
109.06501	5.5
109.10166	24.9
110.95812	2.3
111.04423	2.8
111.08051	6.6
117.07019	9.5
117.77840	2.6
119.08591	48.3
121.06476	4.1
121.10169	41.1
123.04400	2.5
123.08037	4.7
123.11697	10.6
127.32311	2.3
128.06209	4.7
129.07028	11.2
130.07768	3.5
131.08575	25.0
133.10144	29.9
135.08000	3.2
135.11717	18.4
137.06018	14.9
139.07611	2.5
141.06975	4.6
142.07758	10.9
143.08575	24.2
144.09329	6.7
145.06462	3.4
145.10144	36.1
147.08104	3.2
147.11710	12.2
149.09621	2.7
154.07803	3.2
155.08556	10.1
156.09355	6.2
157.09160	2.4
157.10173	28.5
158.10866	7.6
159.08086	6.8
159.11716	25.3
161.13307	13.1
163.11145	5.1
165.07004	3.7
167.08551	6.4
168.09334	3.7
169.08801	2.7
169.10117	14.9
170.10857	9.2
171.11694	20.1
172.12364	2.5
173.09576	3.4
173.13278	19.5
175.11226	2.6
175.14926	3.7
177.12727	3.3
179.08531	3.2
180.09322	5.0
181.10121	12.6
182.10895	4.1
183.11732	21.5
185.13245	17.6
187.11172	5.0
187.14819	22.0
193.10033	6.2
194.10936	5.8
195.11734	13.6
196.12430	8.3
197.09618	3.7
197.13297	13.4
199.14818	10.0
200.15616	2.6
201.12753	3.5
203.10635	3.2
207.11647	9.4
209.13264	18.3
211.11134	10.2
211.14771	11.1
213.16553	4.6
221.13220	7.8
223.11279	3.5
223.14778	7.4
225.12743	6.1
225.16353	8.1
229.12256	10.1
235.14616	5.2
237.12720	3.4
237.16373	8.1
239.17892	7.6
240.18584	2.9
251.14243	2.6
251.17891	3.7
252.18678	4.2
253.15891	4.8
253.19518	3.1
257.15128	3.0
259.20544	7.4
265.19482	10.0
275.17938	2.5
277.15839	3.5
277.21640	4.5
280.17874	2.1
280.21780	3.6
281.22583	2.9
291.21030	3.0
293.19226	3.3
295.16861	7.0
305.22665	2.8
309.18442	3.0
323.23514	5.1
333.21964	11.0
351.23138	100.0
351.29559	4.8
352.23669	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	351.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.6
55.01881	0.6
55.05511	2.4
57.03439	1.0
57.04862	0.4
57.07059	0.7
61.51425	0.4
63.15786	0.4
66.16660	0.4
67.05179	0.5
67.05511	5.2
69.03423	0.4
69.07063	1.6
70.45826	0.9
71.05000	0.7
71.08636	1.0
72.08160	0.6
79.05492	4.7
80.50880	0.4
81.03419	0.7
81.07066	6.4
83.04984	0.5
84.08155	0.5
85.06546	0.6
91.05480	4.1
93.07048	6.8
95.04966	1.8
95.08616	3.8
97.06526	1.0
97.10171	0.4
99.08088	1.3
105.07043	4.1
107.08587	3.0
107.17657	0.4
109.10175	2.1
111.04268	0.6
117.06996	1.2
119.08589	3.5
121.10148	3.4
125.09643	0.8
129.07034	1.0
131.08582	1.8
133.10138	3.6
135.11685	2.9
143.08548	0.8
145.06522	0.5
145.10127	1.9
147.11708	2.2
149.13231	1.4
151.11198	1.2
155.08606	0.5
157.10168	1.1
159.11702	1.3
161.13258	2.4
163.11264	0.6
165.12915	0.5
171.11705	1.1
173.13264	0.6
175.14845	0.5
185.13316	0.8
189.12823	0.6
231.20932	0.7
241.19577	1.5
245.15213	1.3
259.20667	3.7
270.66809	0.5
277.21683	2.3
333.20139	1.9
351.21426	100.0
351.25098	4.6
352.21774	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
52.13594	0.6
53.03949	0.5
55.01869	1.5
55.05505	2.4
57.03441	1.0
66.61674	0.6
67.05510	4.9
69.07060	2.4
70.06588	0.9
70.65195	1.1
70.65543	1.2
71.08614	0.8
72.08142	0.8
79.05504	2.7
81.03421	1.9
81.06715	0.5
81.07076	5.4
83.04991	0.8
83.08618	1.3
85.10166	0.7
91.05504	2.8
93.07056	4.1
95.04971	1.3
95.08611	3.9
97.02863	0.8
97.06550	1.3
97.10133	1.3
99.08106	1.2
100.45142	0.6
105.07050	3.3
107.08582	3.4
109.02840	0.7
109.06551	1.0
109.10165	2.7
111.08080	1.7
113.09644	0.7
117.07006	0.7
119.08607	3.2
121.06551	0.7
121.10148	1.6
131.08591	1.5
133.10149	2.5
134.09688	0.6
135.11714	2.2
143.08557	1.2
145.10159	2.0
147.04408	0.9
147.11705	2.4
149.09613	0.7
149.13264	1.3
151.11168	1.1
157.10095	1.0
159.11670	0.8
161.09709	0.7
161.13324	1.4
163.11244	1.2
163.59476	0.6
165.12740	0.6
171.11592	0.6
173.13202	0.9
175.14906	0.7
177.12827	0.9
180.13875	1.0
185.13203	0.5
201.16513	0.8
253.12688	0.6
259.20465	1.2
275.07275	0.6
277.21674	2.9
297.07489	1.3
309.07425	0.7
319.09641	0.9
319.12848	0.7
321.07730	0.7
333.20432	0.8
336.10114	1.0
351.12427	9.3
351.21436	100.0
351.25055	3.9
352.21259	1.1
352.24976	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15029	0.3
54.01429	0.4
54.18487	0.3
55.05500	0.5
62.73510	0.4
66.46014	0.4
69.03436	0.4
70.06587	1.6
71.04990	0.5
71.46696	0.8
72.08154	0.8
73.06556	0.9
81.03412	0.7
81.07058	0.6
84.08135	1.1
85.02883	0.7
86.09695	0.5
89.06013	1.0
91.05475	0.9
96.12815	0.4
97.02905	1.4
101.05996	0.5
110.07172	0.5
111.04469	0.4
119.04932	1.3
119.08508	0.4
120.08110	0.5
122.75786	0.4
125.94307	0.4
127.03915	0.6
131.41048	0.4
147.04422	5.5
148.13864	0.4
151.29303	0.4
175.08638	0.8
177.05521	1.0
193.09720	0.6
199.08607	3.4
200.09453	8.6
201.10231	9.2
202.10852	0.4
205.09691	0.7
212.09392	0.6
213.10239	9.6
214.11009	6.2
215.08475	0.8
215.11800	21.3
216.12439	1.5
217.09718	1.4
218.97484	0.5
219.11270	11.3
226.10983	2.4
227.08151	1.1
227.11826	1.5
228.08972	0.9
228.12543	4.0
231.11276	2.8
232.12102	0.6
233.12866	0.5
234.07668	1.5
241.09767	2.2
241.13394	4.9
242.10483	11.6
243.11235	2.9
245.09279	1.4
254.10480	1.3
255.11270	1.5
256.12012	3.9
259.10696	3.2
260.11566	4.2
261.12354	1.3
269.12863	5.1
271.14481	0.9
272.11633	1.2
274.13214	0.9
277.11844	2.9
280.11838	0.5
282.10223	0.6
287.13834	4.1
288.14694	0.9
289.15381	0.7
297.12332	8.8
300.11127	2.7
305.15091	0.6
315.13379	20.4
316.13644	0.5
333.11154	0.9
333.14459	21.7
334.14847	0.5
351.15512	100.0
352.15967	3.3
360.52173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01869	6.4
55.05493	3.5
56.05022	4.1
57.85070	1.9
67.05514	2.2
68.05010	6.1
68.69246	1.8
68.77246	1.7
69.03424	15.1
69.07067	2.5
69.85126	10.4
70.06598	16.3
71.04984	2.2
72.08149	9.4
73.02914	2.9
75.04482	12.8
78.03412	1.8
79.05478	4.0
80.05004	2.3
81.03394	7.4
81.07043	5.2
83.04981	3.7
84.04499	2.2
84.08123	4.1
85.02907	25.6
86.09670	7.5
90.44707	1.6
91.05460	8.2
93.07021	3.2
94.02937	9.1
95.04945	5.5
95.08570	3.2
97.02895	9.1
99.04454	4.0
101.06011	4.0
103.05438	7.8
105.03400	4.2
105.06998	6.9
107.04951	2.8
107.08568	3.2
109.02851	3.5
109.10133	4.5
110.06024	3.0
111.04390	3.2
114.05487	4.6
115.05457	2.4
116.07108	2.5
117.06987	2.6
118.06535	3.0
119.04900	4.4
119.08532	7.0
120.08095	4.3
121.06484	3.8
121.10146	2.0
122.06012	2.4
123.04395	3.6
123.11724	17.6
124.03877	2.6
125.05954	4.8
126.05516	20.2
127.03854	5.3
128.06212	2.9
128.07077	23.2
129.05472	10.8
129.07178	2.9
130.06496	3.6
131.04884	8.3
131.08519	2.6
133.06493	3.1
134.05986	2.2
135.04398	3.4
136.07541	7.4
137.09509	1.9
138.05452	2.1
139.07526	3.6
140.07048	2.7
144.08008	2.1
145.04897	2.5
145.06448	3.2
145.07564	2.0
145.10081	4.0
146.05957	5.3
147.04391	13.0
147.07976	2.6
147.11656	6.1
148.03883	3.6
148.07561	3.6
149.05952	4.0
149.09572	2.5
150.05482	2.4
156.08060	3.4
158.06067	2.1
159.04414	9.7
161.05876	2.4
162.05481	3.5
163.03935	9.9
164.06981	5.0
166.04988	2.8
167.07108	3.6
168.08041	3.5
171.11623	2.6
172.07625	2.0
173.05977	2.3
174.05466	7.2
175.03853	6.3
176.06978	4.0
177.05563	8.8
177.06879	1.6
182.08133	2.7
184.07550	4.0
188.06923	2.0
189.12773	10.5
190.04974	3.9
190.08652	4.5
192.06567	7.8
193.09663	2.2
194.08075	11.2
196.07576	15.1
198.05290	2.3
200.06970	3.3
202.04941	3.2
202.08540	4.5
204.06497	5.1
205.07330	6.3
206.08064	3.4
207.13794	9.8
208.06068	2.7
212.06975	6.6
214.04848	3.3
214.08574	6.1
215.09329	3.2
216.06516	9.6
217.09659	3.8
218.08183	12.5
221.09193	2.0
224.07066	22.4
225.07570	2.2
227.08044	5.5
228.06493	3.0
230.04459	5.0
230.08109	25.8
231.08887	2.8
235.10701	9.2
241.07471	3.0
241.09743	17.2
242.08022	11.4
242.10394	8.3
243.08879	3.0
252.06598	13.3
258.07471	7.7
259.10712	6.5
260.08423	1.8
262.10657	2.7
269.09290	17.3
270.07474	11.4
273.12213	3.0
274.10608	6.9
284.09256	4.7
287.07761	1.9
287.10233	20.5
290.10208	51.8
301.11832	55.7
302.10052	10.0
319.12903	93.5
320.13110	4.6
333.14111	5.9
334.12787	5.7
351.15289	100.0
352.15759	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26707	6.4
56.96572	14.4
59.53537	7.2
65.16705	6.5
69.82023	38.0
72.08152	27.1
84.08152	11.6
85.02885	6.9
94.93040	6.7
96.92215	5.7
97.02921	6.1
97.99185	7.3
98.20847	12.8
101.00881	34.2
103.09525	7.1
109.99173	8.8
112.89636	50.6
114.89355	23.9
115.02430	8.8
116.00251	8.0
119.01940	47.9
119.92567	10.2
124.00672	8.9
127.02460	14.8
128.00214	26.8
131.01904	22.2
133.03499	39.3
142.01793	16.7
143.01917	19.8
145.03606	40.0
146.01280	19.0
147.01404	18.1
151.04500	7.2
155.01915	16.1
157.03474	48.8
160.02881	14.4
161.02969	43.0
171.01309	6.2
173.02904	43.0
175.04558	34.1
185.02982	34.6
185.04500	8.8
187.04578	21.4
189.01971	14.6
192.94188	15.3
196.86797	13.1
196.87949	7.2
203.04037	81.9
207.02914	20.0
215.03960	11.1
221.01781	10.5
221.05008	32.8
222.05168	7.5
237.02782	20.3
245.05074	70.4
246.92570	45.9
252.97377	19.8
255.03720	8.8
263.06180	72.0
267.99545	6.9
272.37759	8.2
273.04572	9.1
278.95062	9.2
283.58142	7.8
287.08023	11.8
291.05716	37.8
291.08359	6.9
303.05566	9.8
305.08838	14.5
309.06775	50.8
320.97598	8.4
333.08606	43.7
350.98663	22.0
351.06772	100.0
351.11078	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	351.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.7
56.96570	14.3
67.34824	0.6
69.03416	1.9
69.07075	0.7
69.93031	3.3
70.06590	3.9
71.05014	0.7
71.95280	0.9
72.08150	3.1
73.02892	0.8
84.08165	3.2
84.96015	3.6
85.02909	2.7
86.09708	1.9
87.04434	0.7
91.05552	0.7
97.02904	1.6
98.97590	100.0
99.97841	0.6
107.04958	0.8
109.02877	0.8
110.97568	9.7
112.99139	1.8
116.07084	1.3
116.98627	37.7
124.99120	1.0
127.00687	0.8
127.03951	0.8
128.98608	8.9
129.02266	0.8
129.10274	1.2
131.00194	2.1
134.99687	10.6
136.07655	1.1
140.00182	1.7
140.98656	1.0
143.00183	2.0
144.13838	1.9
144.98074	1.2
145.01749	1.6
146.99669	3.8
147.03294	3.2
147.04343	1.0
149.01320	0.9
152.98640	1.9
153.00745	0.7
158.99666	35.2
161.01239	1.8
162.99130	1.1
163.02751	1.3
163.03966	1.4
165.04362	2.5
170.99623	3.4
171.03278	4.1
177.00729	31.6
181.86821	0.7
189.00700	2.4
189.04347	7.9
190.14378	2.0
195.01859	2.1
200.02368	1.0
201.00754	1.7
201.04303	1.0
207.05394	2.1
218.99846	0.7
219.01775	14.0
231.05447	1.8
233.66965	0.7
237.00688	2.6
237.02794	23.9
255.01662	0.9
291.07510	25.8
309.08569	60.0
310.09000	1.7
332.10257	2.4
351.09659	26.3
352.09958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55487	0.5
55.05501	0.6
55.55725	0.5
56.05042	1.8
58.34457	0.5
58.39836	0.5
58.99594	0.5
67.05509	1.6
70.06601	1.2
70.65874	1.0
70.66192	0.6
72.08143	0.5
78.89862	0.5
79.05482	0.8
81.07088	0.8
82.06574	2.8
83.07358	0.8
84.08145	100.0
85.08492	0.6
86.09739	0.4
91.05495	0.8
93.07055	1.9
95.08608	1.4
101.04248	25.8
102.96758	0.5
104.98338	0.5
110.07138	0.8
120.08080	0.5
125.04256	0.8
127.05795	3.2
129.10237	1.2
130.08641	6.1
131.15376	0.4
133.78362	0.4
138.59686	0.5
145.02789	0.5
147.04468	0.7
147.11296	2.1
153.03719	0.6
159.02985	0.7
177.04037	20.8
187.02499	2.1
189.05699	0.6
197.24474	0.5
205.03546	5.1
206.15491	1.2
213.10318	0.5
213.97144	0.5
235.12045	0.6
242.10603	0.6
260.11606	0.5
270.09811	4.6
288.10873	26.2
301.11813	0.8
306.40012	0.5
315.09543	0.8
319.12885	1.1
333.10135	0.8
333.13443	1.4
351.14081	54.4
352.14410	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95715	1.0
55.01874	1.4
55.05510	4.1
55.99024	1.2
56.55946	1.2
57.03442	1.9
57.07080	100.0
59.05007	16.6
67.05506	7.8
69.07070	6.7
71.08638	88.1
79.05488	7.7
81.07061	9.0
83.04987	1.2
83.08623	3.3
85.06529	1.3
85.10190	81.3
89.06040	25.0
91.05487	6.6
93.07050	7.3
95.08596	6.5
97.06571	1.7
99.11731	8.4
103.07616	1.9
105.07018	6.8
107.08590	6.4
109.06521	2.7
109.10169	2.2
117.07024	2.8
119.08600	5.6
121.10152	2.7
123.08051	4.0
126.86965	1.5
131.08543	3.0
133.08606	15.2
133.10158	2.7
135.08093	1.6
135.11679	1.5
141.16394	3.6
143.08673	1.3
144.51024	1.2
145.10133	3.0
145.74695	1.2
147.11711	2.0
151.09679	8.8
159.11664	1.5
179.10692	2.1
179.14296	9.3
195.12085	2.7
207.13730	1.5
262.67184	1.2
265.52039	1.2
275.20059	4.5
349.13937	2.3
349.23846	4.2
349.27774	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	350.269
Annotation	Neovasipyridone A
Peak:m/z	Relative Intensity
53.03962	3.5
55.05515	26.3
56.05030	7.1
57.07096	7.3
58.02958	8.4
67.05509	40.0
69.07075	30.8
70.06615	18.0
70.81519	5.1
70.81847	4.8
71.08636	31.7
79.05496	38.1
80.05033	7.1
81.03409	3.6
81.07066	43.6
82.06584	14.4
83.08620	13.6
84.04512	3.6
84.08144	33.4
88.11279	69.2
89.96873	3.2
91.04515	3.2
91.05477	32.0
93.07053	25.4
93.33224	3.5
94.06569	41.1
95.04980	7.2
95.08611	34.2
96.08132	11.8
97.06538	4.8
97.10182	7.2
105.07040	20.8
106.06569	4.0
107.04943	3.4
107.08607	27.5
108.08093	5.1
109.10169	13.7
110.09648	4.4
112.07603	7.8
112.11209	3.5
114.09148	3.2
117.07063	8.3
119.08598	11.7
120.08105	3.7
121.08905	3.1
121.10152	13.0
122.09756	4.3
123.11693	6.4
124.11219	12.0
131.08533	9.6
133.10182	4.1
134.09656	3.4
135.11693	8.0
136.11220	7.8
140.00940	3.0
142.12292	3.7
145.10147	6.1
147.11668	9.0
149.13220	4.0
152.10727	9.3
164.14417	9.0
173.13280	3.4
180.13829	3.9
184.16862	3.0
212.16443	28.1
238.18135	4.7
243.71309	3.1
252.19534	22.9
291.22900	3.5
292.22626	17.5
332.25958	9.5
340.63803	3.2
350.22684	6.5
350.26947	100.0
350.33994	41.2
364.65900	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	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.83508	0.4
53.03919	0.5
55.05518	3.0
57.07079	5.7
63.60332	0.5
67.05170	0.5
67.05506	5.3
69.03410	0.5
69.07072	3.3
70.72435	0.9
71.04984	0.5
71.08640	2.1
79.05489	3.7
81.07063	7.3
83.08613	0.9
83.40953	0.4
85.06549	3.0
88.32287	0.4
91.05484	4.2
93.07053	5.7
95.04950	1.5
95.08608	8.0
97.06520	0.9
99.08070	1.6
105.07034	7.0
107.04947	0.5
107.08595	4.9
108.95067	0.4
109.06524	19.2
109.10162	4.2
111.08075	0.7
113.56903	0.4
117.07010	1.3
118.78849	0.4
119.08587	5.1
121.10153	5.1
122.07294	2.1
123.08075	25.6
123.11692	1.6
128.06209	0.7
129.06981	0.5
131.08582	2.6
133.06552	0.5
133.10123	3.5
135.08046	4.1
135.11678	1.1
136.08809	0.5
136.71364	0.5
137.09613	0.8
142.07857	0.5
143.08530	1.7
145.10132	4.3
147.08057	0.5
147.11700	1.5
149.09601	0.6
149.13225	0.9
155.08585	0.7
156.09366	0.8
157.10109	2.1
159.11682	2.1
161.13280	1.0
169.10092	1.1
171.11684	1.4
173.13284	1.1
175.14720	0.5
179.14320	100.0
180.14685	1.4
181.02168	0.4
181.10130	0.6
183.11674	1.1
185.13332	0.7
187.14809	1.1
193.10069	0.6
193.15863	2.1
194.10966	0.5
196.53000	0.4
199.14864	0.6
201.13034	0.4
202.61475	0.4
209.13333	1.2
211.14922	0.5
213.12889	0.5
213.16400	0.6
219.11752	0.5
219.17380	0.6
239.17859	0.6
240.97629	0.4
273.61636	0.5
275.20096	0.6
279.17358	0.5
289.25183	0.7
331.26480	2.7
349.27448	78.2
350.27829	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	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.55642	0.4
53.03934	0.6
55.05516	5.3
57.03434	0.5
57.07073	1.7
60.47763	0.4
67.05510	5.7
69.06718	0.8
69.07072	10.5
70.81396	1.4
71.05001	1.6
73.05460	0.5
73.06561	0.9
79.05492	4.1
81.07063	8.5
83.04967	0.5
83.08633	4.2
85.06551	1.0
91.05487	2.6
93.07063	5.7
95.04954	1.0
95.08617	7.8
97.06538	1.9
97.10166	0.6
105.07037	3.6
107.08601	6.0
109.06533	10.5
109.10157	3.7
111.08084	2.3
117.07040	0.5
119.08600	3.3
121.06502	0.5
121.10143	3.4
123.08080	62.5
123.11697	1.4
125.09646	0.9
131.08589	1.0
133.10118	2.6
135.08054	4.4
135.11714	1.9
137.09645	4.3
137.13202	0.6
144.99115	0.5
145.10138	1.3
147.11696	2.2
149.09618	1.4
149.13232	2.3
151.11224	0.7
159.11726	1.7
161.13271	1.2
163.11285	0.8
163.14900	0.5
165.12685	0.7
167.14339	0.6
173.13281	0.8
175.14955	0.6
177.12799	0.8
179.14328	11.5
191.11392	0.5
191.14296	0.5
233.19012	0.7
247.20564	0.7
275.20129	2.1
289.25278	1.0
293.21130	17.3
294.21695	0.7
307.22626	0.6
331.26230	3.3
349.27396	100.0
350.27777	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	349.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.01868	4.8
55.05510	30.9
57.03437	7.8
57.07077	4.0
57.35910	2.8
59.04947	3.6
63.66380	2.9
65.03950	8.1
67.05508	58.0
69.03453	4.4
69.07072	37.2
69.92162	15.1
71.04991	8.4
74.09324	3.1
79.05499	47.4
80.06293	3.5
81.07063	58.0
83.04992	9.7
83.08614	10.4
91.05487	61.2
91.17517	3.4
93.07053	81.3
95.04984	30.6
95.08607	58.8
97.06532	17.7
97.10165	6.7
105.07037	100.0
107.04947	6.3
107.08600	69.1
109.06522	19.5
109.10152	43.0
111.08099	4.5
115.05441	5.0
116.06244	5.7
117.07030	20.4
119.08590	82.3
121.06522	10.1
121.10147	74.3
123.08124	20.2
123.11729	12.2
128.06219	10.9
129.07030	19.0
130.07796	10.1
131.08574	51.1
133.06442	4.3
133.10136	50.6
135.08060	11.3
135.11687	26.5
137.09650	6.2
141.07001	4.2
142.07791	13.4
143.08563	33.2
144.09351	7.9
145.10136	55.1
146.07248	3.8
146.10837	3.2
147.08029	3.8
147.11681	24.5
149.09641	17.0
149.13271	7.1
155.08589	12.5
156.09358	14.1
157.10141	40.5
158.14755	3.4
159.08089	4.3
159.11705	27.0
161.09576	16.0
161.13266	15.6
163.11172	4.3
163.14734	3.8
167.08592	8.6
168.09288	3.5
169.10138	18.2
170.10977	8.2
171.11731	17.5
173.09579	3.5
173.13271	21.1
175.11205	4.5
175.14819	11.9
179.08591	9.1
179.14307	23.2
180.09384	4.0
181.10152	14.0
182.10904	5.3
183.11734	16.8
185.13313	15.3
187.14851	22.2
193.10132	3.9
194.10910	9.7
195.11647	15.5
196.12465	4.4
197.13255	13.9
199.14853	8.7
201.16345	4.0
207.11696	5.5
209.13310	19.0
210.39786	3.1
211.14842	6.3
213.16455	3.9
215.14439	4.3
219.11757	3.6
221.13173	5.8
223.14862	10.0
225.16373	4.5
227.14236	7.5
239.18036	9.7
241.15875	3.7
253.19641	5.5
261.16223	4.1
265.19589	4.5
275.20102	13.5
291.21213	3.0
331.24127	4.0
349.24625	42.8
349.28265	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	349.2737
Annotation	6-Pentadecylsalicylic acid
Peak:m/z	Relative Intensity
51.58923	0.5
53.03944	1.0
55.01872	0.8
55.05512	6.5
57.03437	0.9
57.07059	1.2
67.05508	5.2
69.06723	0.7
69.07073	10.6
69.58904	1.2
69.59322	2.5
71.04998	1.4
71.05888	0.5
71.08630	0.8
73.06553	0.7
74.40584	0.5
79.05486	4.9
81.07061	9.7
83.04985	1.5
83.08624	3.2
84.22664	0.5
86.28687	0.5
91.05482	2.8
93.07041	5.4
95.04989	0.6
95.08609	8.0
97.06525	2.1
97.10158	1.2
99.30141	0.6
99.30795	0.5
101.05973	0.7
105.07037	3.5
107.08589	5.5
109.06519	11.1
109.10143	3.9
111.08083	2.0
119.08592	4.2
121.06495	0.6
121.10165	4.7
122.07265	0.8
123.08073	66.7
123.11702	1.6
124.08421	0.8
125.09621	1.2
131.08624	0.9
133.10164	2.9
135.08044	4.1
135.11690	2.2
137.09618	4.1
137.13234	0.7
145.10031	1.2
147.11679	2.0
149.09639	1.2
149.13284	1.4
151.11205	0.8
159.11702	1.5
161.13310	1.3
165.12816	0.7
173.13252	1.0
175.14804	0.5
177.12613	0.7
179.14314	5.3
199.78850	0.5
200.39175	0.6
231.15807	0.6
275.20123	2.4
279.19705	0.5
289.25327	1.1
293.21091	19.0
294.79254	0.5
303.26993	0.9
307.22662	0.8
311.67490	0.5
331.26416	3.4
349.27377	100.0
350.27728	3.3
359.00671	0.5
359.05499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.05516	24.5
57.07062	10.4
65.03910	5.3
67.05508	47.8
69.03405	5.1
69.07065	35.3
69.71228	17.1
70.91878	3.4
71.04992	7.0
74.20416	3.3
79.05499	39.1
81.06642	5.3
81.07058	58.2
83.05009	5.5
83.08617	10.7
85.10188	3.8
91.05486	62.8
93.07044	81.0
95.04962	30.1
95.08610	54.2
97.06528	11.8
103.05489	4.1
105.07035	97.2
106.80441	3.6
107.08605	64.8
109.06509	13.5
109.09573	4.0
109.10175	43.5
113.55176	3.8
115.05463	4.1
115.07844	3.4
116.06233	3.9
117.07027	21.9
119.08587	100.0
121.06456	5.2
121.10156	74.6
123.08078	20.9
123.11715	17.8
128.06213	11.8
129.07042	18.1
130.07785	9.1
131.08580	57.2
133.10144	56.8
135.08038	14.1
135.11684	22.7
137.09631	5.3
139.39662	3.7
140.10803	4.2
141.06995	5.0
142.07770	15.9
143.08588	36.4
144.09306	10.0
145.10123	68.8
146.07314	4.1
147.08070	8.8
147.11667	27.5
149.09604	14.5
155.08527	16.9
156.09340	10.2
157.10132	44.8
158.10844	5.8
159.11662	30.0
160.96465	3.9
161.09644	18.3
161.13261	16.5
163.11270	6.3
167.08597	8.2
169.10124	23.7
170.10814	7.2
171.07996	5.2
171.11697	20.5
173.13242	23.5
175.11252	3.7
175.14836	10.2
179.08543	10.6
179.14313	12.0
180.09286	4.3
181.10124	13.9
182.10843	5.5
183.11670	23.7
184.12354	4.1
185.13261	16.0
187.11313	4.6
187.14841	24.1
193.10133	6.1
194.10825	8.3
195.11678	18.3
196.12521	5.1
197.13316	21.1
199.14821	14.2
201.12773	4.9
201.16408	4.1
206.10880	4.6
207.11638	8.0
208.12396	7.9
209.13264	23.2
210.13971	4.7
211.14836	13.4
213.16446	7.7
219.11636	4.7
221.13295	6.9
223.14839	11.6
225.16385	9.6
227.14296	8.8
235.14743	8.0
237.16368	7.4
239.17966	11.8
249.16469	4.4
253.19585	6.0
261.16370	6.3
265.19485	8.8
275.20193	8.4
293.18817	10.5
331.24100	6.6
349.24988	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.07917	2.3
53.03939	10.8
53.71673	2.3
55.01875	22.4
55.05266	2.9
55.05512	42.1
57.03447	28.3
65.03934	3.9
67.05177	4.6
67.05510	62.3
69.03427	5.0
69.06726	4.0
69.07073	46.0
71.00301	3.3
71.00626	3.9
71.04988	7.3
79.05499	100.0
81.03407	7.8
81.07064	59.3
83.04981	9.3
83.08620	13.2
85.06549	3.8
91.05487	77.7
93.06475	3.5
93.07053	59.8
95.01329	3.6
95.04968	12.8
95.08049	3.7
95.08611	41.5
97.06541	25.4
97.10185	14.0
103.37470	2.5
105.07037	85.2
106.29047	2.2
107.04950	25.9
107.08601	91.6
109.06519	8.4
109.10169	18.2
111.08102	3.4
115.03020	2.1
116.06223	2.4
117.07024	21.2
118.07862	2.3
119.08591	45.9
121.06482	6.5
121.10152	21.9
123.08060	7.4
123.11695	6.0
125.09626	15.6
129.07016	9.0
130.07794	2.6
131.08566	42.9
133.06558	2.3
133.10147	47.9
135.08066	6.2
135.11719	12.9
137.09653	4.2
141.07045	3.4
143.08551	13.4
143.36934	2.4
145.06505	4.3
145.10132	81.0
147.11690	36.9
149.09631	32.7
149.13251	6.4
151.11197	3.7
153.09152	2.9
155.08586	5.3
157.10103	8.3
159.11693	31.5
161.09538	4.2
161.13258	10.8
163.11168	10.8
169.10172	5.7
171.10332	3.7
171.11633	15.0
173.13289	14.4
175.14807	2.7
177.12675	4.7
179.14343	6.8
183.11693	8.4
183.34738	2.5
185.13310	5.2
187.11201	4.3
189.11261	12.0
193.12363	2.9
197.13269	9.2
205.12286	5.3
219.17488	3.7
229.19493	6.2
239.17938	18.0
247.20799	2.8
257.19006	47.6
257.21558	3.8
275.20068	78.4
276.20532	2.4
331.22528	5.7
344.37192	2.5
349.20316	4.4
349.23743	84.4
350.23709	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	15.9
53.14261	2.1
55.01867	13.0
55.05512	29.6
57.03445	19.8
65.03957	3.5
67.05508	67.9
69.00316	2.5
69.03426	3.7
69.06718	4.8
69.07069	60.0
71.04996	3.3
71.20763	4.2
71.21109	2.9
77.03928	3.8
79.05077	3.3
79.05503	53.7
81.03421	32.2
81.06580	4.4
81.07060	85.4
81.07526	5.8
81.50422	2.3
83.04967	15.0
83.08612	11.9
87.85774	2.4
91.05485	72.3
93.07050	57.9
95.01337	25.3
95.04972	20.4
95.08609	55.8
97.06529	21.4
97.10163	5.4
99.08111	3.0
105.07040	100.0
107.04967	40.8
107.08602	24.1
109.06522	7.7
109.10153	9.5
111.08090	3.5
113.09683	2.5
115.05405	2.8
116.06162	3.1
117.07030	26.4
119.08589	50.9
121.06536	5.7
121.10149	10.9
123.04444	6.2
123.08028	12.0
123.11689	3.0
125.09634	4.2
129.07013	4.1
131.08568	36.7
133.10138	57.7
135.08055	5.5
135.11703	12.0
141.06979	5.7
143.08549	6.9
145.06479	7.4
145.10127	27.7
147.11707	26.2
149.09631	9.2
149.13271	7.2
151.11157	3.3
157.10159	7.6
159.11694	23.7
161.13284	6.1
163.11218	5.3
165.09055	5.3
169.10124	6.3
171.11668	4.4
173.13272	4.7
177.12770	7.4
179.14313	35.2
187.11205	6.7
195.13773	2.8
223.13516	2.6
247.20612	5.5
257.19037	7.7
275.20084	56.1
349.23807	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	23.9
53.52146	2.8
55.01875	26.7
55.05514	51.3
57.03436	23.3
59.04992	4.2
60.07472	2.8
65.03954	3.8
67.05503	92.0
69.03428	4.2
69.07067	55.3
70.48186	6.2
71.04982	6.2
79.05494	100.0
81.03412	26.1
81.06585	5.8
81.07059	97.2
83.04980	26.3
83.08630	15.6
85.06572	4.6
88.67563	3.0
91.05484	83.0
93.07049	78.3
95.01336	19.9
95.04967	25.3
95.08611	58.3
97.06522	25.7
97.10177	15.0
99.08071	4.8
105.04491	3.3
105.07034	94.9
107.04947	46.7
107.08597	54.0
108.73467	3.1
109.06494	8.1
109.10169	15.2
111.08077	6.9
117.07040	25.7
119.08575	56.0
121.06535	6.2
121.10124	29.0
123.08050	9.1
123.11716	2.8
125.09628	12.8
128.25186	2.8
129.07022	3.4
131.08574	35.1
133.10135	52.1
135.08029	9.1
135.11673	16.3
137.09619	6.6
137.11540	2.8
141.06979	5.7
143.08546	6.1
145.06494	7.0
145.10110	30.5
147.11671	27.9
149.09630	39.6
149.13197	5.7
151.11095	3.6
153.09148	4.5
157.10150	6.2
159.11697	25.2
161.13264	9.4
163.11211	7.2
169.10138	7.1
171.11749	4.9
173.13237	7.0
177.12769	9.7
179.14334	25.1
183.11728	4.7
187.11169	8.5
189.11287	4.4
209.15483	3.5
223.13251	5.9
229.19609	3.2
247.20547	3.8
257.19034	15.0
273.18527	4.8
275.20078	79.2
291.19687	4.3
349.13089	4.0
349.23694	45.8
349.27515	5.7
350.23215	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60405	1.2
52.78112	1.1
53.03936	2.4
55.01869	5.6
55.05516	18.7
56.35746	1.2
56.96566	4.4
57.03444	13.4
57.07085	1.6
59.28817	1.2
67.05176	1.9
67.05508	30.6
69.03438	1.7
69.07073	17.5
71.04981	2.8
71.29031	2.8
72.08158	1.7
79.05066	1.8
79.05501	28.8
81.03425	2.2
81.07063	37.5
83.05001	10.0
83.08617	5.9
85.06543	2.1
91.04972	2.1
91.05491	29.3
93.07050	35.4
94.46257	1.2
95.04982	9.4
95.08057	2.0
95.08611	26.6
97.06530	6.4
97.10139	2.1
103.05492	1.8
105.06391	2.1
105.07039	30.8
107.04933	10.9
107.08604	21.9
109.06525	12.9
109.10131	8.8
111.08086	3.5
117.07030	9.3
119.08582	20.9
121.06525	13.5
121.10162	14.6
123.08073	6.0
123.11708	3.2
123.93714	1.3
129.07004	4.8
130.07840	1.5
131.08585	20.8
133.06490	3.5
133.10138	18.8
135.08064	5.6
135.11696	5.6
137.09634	3.1
141.06955	2.0
142.07814	1.5
143.08562	5.0
145.06470	2.5
145.10120	17.4
147.08028	3.1
147.11707	12.5
149.09621	7.1
149.13275	3.1
151.11176	5.6
155.08565	2.0
157.10089	4.5
159.08022	2.6
159.11682	7.6
161.09659	4.8
161.13249	3.5
163.11166	8.7
165.12724	1.4
169.10239	1.6
171.11734	3.9
173.09529	3.0
173.13298	7.2
175.11179	3.7
175.14818	1.7
177.12781	4.4
179.14284	2.6
183.11752	2.0
185.13324	1.8
187.11203	2.9
187.14824	2.6
191.14331	3.9
197.13344	2.4
199.14830	2.3
201.12772	4.2
205.19514	1.4
207.13815	2.6
215.17982	2.8
219.13806	3.2
229.19522	3.3
231.17441	1.6
233.15411	1.5
233.19206	1.8
239.17943	5.0
247.20528	4.5
257.19049	18.2
267.09048	3.1
269.10739	3.9
275.20084	100.0
276.20291	3.0
285.10077	2.8
293.21216	8.0
349.16949	3.9
349.23776	34.5
367.18024	1.8
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
52.59947	1.3
53.03954	16.4
54.11379	1.4
55.01875	19.2
55.05516	49.2
57.03193	1.7
57.03442	24.4
57.07060	2.8
59.04987	1.6
65.03934	5.0
67.05508	87.2
69.03416	4.8
69.07073	53.2
69.91294	7.7
71.04990	6.2
76.79971	1.4
79.05496	100.0
79.83842	1.4
80.05814	1.6
80.35757	1.5
81.02975	2.5
81.03423	24.0
81.07061	96.6
83.04984	24.7
83.08623	15.6
85.06534	3.8
91.05485	85.4
93.07045	76.9
95.01334	16.1
95.04967	22.9
95.08611	54.0
97.06538	25.9
97.10155	9.8
98.20837	2.2
103.05443	2.7
105.04565	2.5
105.07037	87.9
107.04963	41.7
107.07864	2.8
107.08597	52.6
109.06510	10.0
109.10160	22.8
111.04434	3.1
111.08057	5.0
113.95100	1.5
115.05471	3.5
117.07027	28.2
119.08591	54.9
121.06576	8.6
121.10147	22.1
121.10943	2.6
123.04422	2.8
123.08094	13.4
123.11687	6.1
125.09632	12.6
128.06219	3.1
129.07011	6.5
130.07751	3.1
131.08568	33.5
133.06560	1.7
133.10138	60.7
135.08044	9.6
135.11676	15.4
137.09608	4.5
139.07564	3.2
141.06958	3.3
143.08563	6.3
145.06491	4.8
145.10129	27.2
147.11696	25.4
149.09616	31.2
149.13263	8.8
151.11188	3.5
152.95166	1.6
153.09123	1.7
154.07808	1.9
155.08559	4.6
157.10175	7.1
159.08061	2.4
159.11696	22.2
159.31148	1.7
161.09546	1.6
161.13252	10.7
163.11194	7.3
163.14790	4.1
165.09164	2.0
169.10173	6.4
169.12250	2.9
171.11639	7.2
173.11850	2.6
173.13264	8.2
175.11176	2.7
175.14899	1.8
177.12729	9.3
179.14345	22.9
183.11699	6.2
185.13251	2.4
187.11180	6.3
187.14864	3.6
189.11220	4.2
191.14241	2.6
197.13255	4.0
199.14854	1.6
201.12833	1.8
205.12328	2.6
209.15350	3.9
211.14735	1.7
215.17850	2.4
229.19540	4.0
233.15440	2.3
239.17944	4.4
241.14432	1.7
247.20604	5.5
257.19037	15.1
266.45813	1.6
275.20068	66.6
349.17068	2.4
349.23810	44.9
349.28186	6.0
350.24042	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.4
52.67407	1.4
53.03956	18.6
55.01878	20.5
55.05267	1.8
55.05519	27.4
57.03444	21.1
57.07079	2.0
64.35242	1.5
65.03931	4.4
67.05510	80.1
69.03416	5.0
69.07075	72.6
70.49348	4.4
71.01352	1.8
71.04994	5.3
72.08157	4.3
77.03926	2.3
79.05499	69.0
81.03426	37.3
81.07063	96.5
83.04983	14.1
83.08620	14.2
85.06536	4.6
91.05485	76.6
93.07053	59.0
95.01338	26.0
95.04981	22.8
95.08613	62.6
97.02911	1.9
97.06547	30.9
97.10161	7.1
102.27139	1.8
103.05463	3.1
105.04553	2.2
105.07036	100.0
107.04965	47.0
107.05693	2.3
107.08607	31.2
109.06510	12.1
109.10155	10.6
110.86408	1.6
111.08095	4.0
115.05437	2.4
117.07015	26.4
119.08588	56.4
121.06508	8.8
121.10140	11.9
123.04436	4.7
123.08092	8.1
123.11718	3.2
125.09654	3.9
128.06241	2.5
129.07014	5.7
131.08586	39.7
133.06508	3.9
133.10139	60.9
135.08064	6.7
135.11737	16.8
137.09604	4.6
139.07570	3.0
140.08876	1.5
141.06970	5.1
143.08563	7.5
145.06464	6.3
145.10129	29.8
147.11688	25.0
149.09622	12.6
149.13266	13.1
151.11186	2.7
155.08583	2.4
157.10135	5.5
159.08099	2.8
159.11726	28.7
161.09612	2.0
161.13275	13.6
163.11162	7.2
163.14813	2.7
165.09117	4.6
169.10156	6.6
171.11696	4.8
173.13264	4.5
175.11299	1.7
177.12761	12.3
179.14328	30.2
183.11702	4.5
185.13303	3.5
187.11163	10.1
187.14841	2.0
189.12779	2.0
195.13885	3.0
197.13327	4.1
205.12196	4.8
207.13774	2.0
229.19485	2.7
239.17952	4.8
241.14256	1.9
247.20616	3.9
257.18979	12.4
275.20081	60.5
276.20404	2.2
299.37769	1.9
349.19821	5.8
349.23734	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.1
55.01880	11.2
55.05515	32.8
55.36645	1.5
57.03441	41.2
57.07069	3.2
65.03948	3.4
67.05508	60.3
69.03418	4.5
69.07070	27.2
71.04974	5.3
71.35857	3.1
77.03924	2.2
79.05499	76.6
79.05962	3.8
81.03424	5.7
81.07063	62.5
83.04971	5.9
83.08609	11.5
85.06539	11.8
90.10776	1.8
91.05486	85.0
93.07048	72.4
95.04979	11.7
95.08613	47.8
97.06526	14.8
97.10170	7.0
99.04494	2.1
99.08087	3.2
103.05463	3.4
105.04544	2.4
105.07034	100.0
107.04957	11.8
107.08600	47.8
109.06527	16.4
109.10168	15.0
111.08073	3.8
113.06027	1.8
115.05466	4.1
116.06282	2.1
117.07025	37.8
119.08588	73.8
121.06541	4.9
121.10151	20.6
123.08068	9.7
123.11713	3.2
125.09624	3.6
128.06224	5.1
129.07021	16.9
130.07813	4.1
131.08580	50.2
133.10143	48.6
135.08073	6.5
135.11676	12.1
137.09616	5.9
141.07008	4.4
142.07817	2.1
143.04698	1.7
143.08577	18.4
145.10133	63.6
147.11691	38.0
149.09615	14.1
149.13258	5.2
151.11191	4.5
155.08609	5.3
157.10144	18.6
159.11694	50.1
161.09608	7.4
161.13268	17.0
163.11169	8.3
165.09158	1.9
165.12758	1.9
169.10162	8.6
171.11736	13.4
173.09732	1.9
173.13271	21.1
175.11189	3.2
175.14827	7.4
177.12741	4.2
179.14377	3.4
183.11734	10.1
185.13275	24.3
187.14774	4.2
189.11307	3.1
191.14330	3.4
197.13319	8.6
201.12738	4.0
201.16351	4.7
203.14343	12.5
205.15930	2.0
208.64223	1.8
211.14893	3.9
213.16374	2.1
215.18005	2.6
219.17461	44.6
221.15395	3.1
229.15929	2.1
229.19482	9.1
239.17976	21.2
247.20590	2.0
257.19022	51.3
275.20074	66.0
277.17996	2.9
331.22684	6.3
349.23767	97.0
350.24185	4.2
354.93658	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01876	22.0
55.05515	44.8
57.03440	23.6
57.48753	2.1
65.03938	6.0
67.05507	80.7
69.03424	3.4
69.07071	47.3
71.04981	6.2
71.10786	2.5
79.05498	98.1
81.03423	7.8
81.06577	4.4
81.07061	80.3
83.04978	9.5
83.08622	17.5
85.06525	4.8
91.05484	76.6
93.07047	68.3
95.01329	2.3
95.04981	15.6
95.08045	3.8
95.08614	47.5
97.06538	25.6
97.10165	14.7
97.35381	2.3
103.05479	4.4
105.07036	100.0
107.04958	24.0
107.08601	88.9
109.06516	9.7
109.10154	25.3
111.08083	5.2
115.05409	4.0
117.06213	3.4
117.07025	34.7
119.06116	3.6
119.08587	58.7
121.06522	9.8
121.10143	22.6
123.08067	8.5
123.11710	4.0
125.09626	12.5
129.07014	7.6
130.07787	3.8
131.07016	2.3
131.08571	49.1
133.10138	56.8
135.08044	10.2
135.11711	16.1
137.09598	5.6
138.69836	1.9
141.07071	4.7
143.08537	12.1
144.09340	2.4
144.48227	1.8
145.10136	73.6
147.11694	38.6
149.09618	32.6
149.13254	6.2
151.11185	2.0
155.08537	4.4
157.10159	9.8
159.07982	2.1
159.11710	33.8
161.09657	2.9
161.13248	13.3
163.11166	14.2
163.14882	2.7
165.12700	2.6
169.10066	10.1
171.11653	13.2
173.13280	15.0
175.11221	2.7
175.14728	2.9
177.12750	6.5
179.14317	6.0
183.11734	10.6
185.13295	3.4
187.11205	6.1
187.14796	3.2
189.11250	7.7
189.12778	2.7
197.13185	10.3
199.14940	2.3
205.12259	3.4
211.14937	2.8
213.16490	2.8
215.14301	2.8
215.17896	3.4
229.19511	8.6
239.17958	14.8
247.20564	7.2
257.19022	53.3
261.14551	2.1
275.16962	3.4
275.20071	88.1
331.22598	8.0
349.19778	36.6
349.23801	88.5
350.23987	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1395
Annotation	Achillamide
Peak:m/z	Relative Intensity
50.59278	0.7
55.01886	1.2
67.05506	1.3
67.80685	1.0
69.03423	1.2
69.07063	2.8
69.77374	1.9
69.77794	3.0
70.06603	6.2
71.04986	1.4
72.08146	3.7
79.05496	1.2
81.07043	1.8
82.06612	1.2
83.04965	0.9
84.04516	1.4
84.08128	2.4
85.02911	1.2
86.09715	2.7
91.05479	2.7
93.07044	1.2
94.06554	1.0
95.04961	1.6
95.08639	1.5
97.06538	3.6
98.06853	1.0
105.07052	1.4
107.04961	1.2
107.08566	1.3
109.03002	1.0
109.06486	1.2
113.09679	1.4
114.05535	1.0
114.09979	0.8
116.07109	1.6
119.08640	0.9
120.08146	1.3
122.06044	2.2
126.05490	0.9
128.07082	6.4
140.07098	7.0
148.12161	0.9
155.10692	2.1
156.11034	2.8
159.09274	0.8
160.07495	1.2
164.07092	1.0
164.65189	0.7
169.10158	0.7
171.09166	0.8
175.08722	4.8
178.08633	1.6
183.09229	1.9
185.07350	1.0
187.08804	1.3
188.06970	0.9
189.10306	0.9
190.05011	1.2
196.09932	1.2
198.09254	1.8
199.08679	5.4
201.10304	1.9
211.08713	3.8
211.12338	3.4
211.52003	0.9
212.09506	1.6
213.10251	2.0
215.08273	4.1
215.11821	4.0
216.14876	1.0
217.09729	16.8
225.10239	1.9
229.09724	4.2
231.11328	2.4
239.08170	2.0
239.11792	8.3
241.09749	1.1
243.07690	1.9
243.11285	8.5
244.09735	1.7
245.12886	1.1
253.09789	1.4
257.09247	3.6
257.12778	5.0
261.12341	1.2
267.11328	7.7
271.10724	6.0
273.12418	1.9
275.10266	2.3
285.12335	9.1
286.10825	1.1
289.11807	7.9
293.11084	0.8
295.10852	9.5
303.13382	5.5
307.12903	1.6
313.11823	20.5
319.12817	6.6
331.09567	1.0
331.12900	30.6
349.13953	100.0
349.21838	5.0
350.14453	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	349.1398
Annotation	Achillamide
Peak:m/z	Relative Intensity
53.03947	3.8
55.01869	4.7
55.05514	2.1
56.05024	3.7
57.03453	3.8
58.99596	3.6
65.03948	4.1
67.05505	4.8
69.03430	3.5
69.07082	4.5
70.06602	17.5
71.18849	4.3
72.08157	9.8
76.02226	4.1
79.05492	4.9
80.04996	3.0
81.03462	2.9
81.05824	2.1
81.07059	32.0
82.06615	3.0
84.04514	28.7
84.08152	8.8
85.02905	3.3
86.09706	5.4
86.99077	3.6
87.02714	16.3
88.03999	2.8
91.05503	4.6
92.05014	5.6
93.07040	2.4
93.91924	1.9
94.06578	5.3
95.05011	3.9
95.08640	2.2
96.08147	5.5
97.02933	4.8
97.06525	10.3
98.09736	2.4
99.08062	3.4
104.99425	1.9
105.00108	3.0
105.03365	2.4
105.07038	2.9
107.04971	2.8
108.04493	2.5
109.02919	3.6
110.06004	4.6
113.04229	2.5
116.04980	2.2
116.07088	2.8
119.04932	2.4
120.04481	35.0
120.08139	4.1
122.02747	22.8
122.06057	4.8
123.04476	2.4
124.07597	40.7
127.03933	3.5
128.07121	8.1
129.10266	3.3
130.05011	5.7
131.04918	2.5
132.01128	4.0
134.06036	4.5
136.07607	5.7
138.05531	16.7
139.03955	3.2
140.07071	12.1
146.06029	9.4
147.04440	5.3
148.03934	5.5
148.07578	5.3
152.07130	3.0
159.04709	5.4
161.05913	1.9
162.05464	17.8
164.07121	13.4
170.09622	2.2
171.06630	1.9
172.03958	13.2
174.05501	25.5
180.06552	4.5
184.07568	2.6
188.76268	1.9
189.06665	5.5
189.10289	3.7
190.04999	34.5
191.08205	3.9
192.06572	24.8
196.07620	5.3
197.08379	4.3
198.09244	3.4
202.08995	32.3
203.07326	10.2
208.06079	21.9
209.09160	3.5
212.10730	6.9
213.10274	3.9
214.08644	7.2
220.09813	2.4
222.09212	3.2
224.10786	7.5
225.10251	6.3
226.08638	5.5
226.10884	4.0
227.11807	5.4
229.09592	2.6
239.11827	12.4
240.10159	5.6
240.12444	2.7
241.13301	2.4
242.11818	7.5
243.11310	5.2
244.09770	4.5
246.11343	2.7
250.08617	3.5
253.09651	3.4
257.12848	3.5
258.11392	2.6
261.12219	2.9
267.11365	14.0
268.09668	4.7
269.12955	4.5
271.10867	9.2
272.09094	2.4
275.13934	2.9
284.09241	2.1
285.12335	16.0
286.10846	8.6
287.14017	4.7
289.11887	7.5
295.10803	6.3
303.13406	29.4
305.14948	4.0
313.11838	28.8
331.12903	100.0
349.09753	4.4
349.13995	40.8
349.21750	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	348.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.6
55.05513	29.7
57.03427	8.5
57.07082	3.9
62.95304	3.4
67.05173	4.5
67.05510	74.4
69.07058	13.3
70.06586	3.6
70.71626	5.9
70.71956	5.3
71.08622	4.3
72.08110	4.1
79.05502	24.5
81.07058	45.1
83.04967	2.9
83.08630	20.8
85.06575	2.8
91.05486	19.8
93.07044	27.9
95.04988	4.3
95.08624	24.6
97.06513	6.5
97.10170	15.0
99.08099	7.5
105.07027	15.2
105.07615	2.8
107.08605	16.8
109.04997	3.4
109.06528	3.1
109.09464	4.3
109.10162	55.5
119.08600	12.9
121.06488	4.2
121.10154	9.2
123.08112	4.0
123.11719	6.4
125.09628	15.3
131.08571	6.2
132.63379	3.3
133.10118	8.8
135.11684	6.7
137.09599	5.8
143.08505	3.8
145.10110	13.0
147.11665	10.8
149.09659	6.4
149.13252	8.0
151.11189	6.5
155.10727	17.8
159.11644	8.2
161.13280	4.7
163.11160	6.3
173.11751	100.0
177.12787	5.8
179.14352	3.5
186.20317	3.3
189.11223	12.2
190.14366	4.1
195.13806	17.0
213.14828	7.6
234.66920	3.3
257.18997	8.2
275.20041	13.0
277.21640	30.6
292.81165	3.4
295.22617	11.0
349.23810	14.8
355.51120	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	348.2171
Annotation	Consabatine
Peak:m/z	Relative Intensity
50.15757	0.7
53.03940	1.7
55.01844	0.7
55.05513	2.6
56.05031	1.4
57.03434	0.9
57.07075	0.9
60.04517	0.9
61.01153	0.7
64.98080	0.7
67.05496	2.1
68.05040	3.7
69.03435	1.5
69.07059	2.1
70.06596	14.2
71.04989	2.0
71.55043	0.8
72.08164	3.9
74.41708	0.7
75.09956	0.7
79.05494	4.5
81.03426	6.2
81.07064	4.0
82.06583	0.9
83.04985	6.9
83.08641	1.0
84.04509	3.2
84.08140	3.0
85.02908	2.0
86.09707	2.7
91.05479	6.6
92.40828	0.6
93.07041	8.9
94.06577	1.9
95.04974	2.9
95.08621	2.8
96.08128	2.7
97.02898	0.8
97.06531	2.5
97.87267	0.8
98.06068	4.7
100.07610	1.5
105.07050	8.7
107.04955	1.3
107.08591	10.0
107.15665	0.7
109.05893	0.7
109.06502	4.5
109.10148	1.9
110.06051	10.0
110.07186	1.8
111.04476	0.9
111.08034	0.7
113.09648	0.9
114.05545	9.8
116.07082	3.4
116.10692	0.8
117.07014	1.7
118.06525	0.8
119.08615	3.7
120.08084	4.4
121.06506	2.3
121.10147	8.5
122.06022	1.7
123.08076	2.4
125.09643	3.6
128.07095	2.4
129.07007	0.8
129.10356	0.9
130.06581	0.9
130.07777	0.8
131.08574	2.8
132.08098	1.5
133.06497	2.0
133.10123	5.0
134.09694	2.8
135.11685	1.6
136.06209	2.9
136.07547	1.2
136.11218	1.2
140.07066	1.5
143.08560	0.7
144.06587	1.6
144.08195	0.9
144.09337	1.0
145.10231	1.2
146.06015	2.5
147.11711	2.3
148.11205	4.6
149.09636	6.1
151.06339	1.2
155.10698	1.7
157.10114	1.8
159.08064	1.9
159.11642	4.7
160.11278	1.2
161.09679	1.0
161.13333	0.8
162.09152	3.0
164.07097	1.2
165.12776	1.1
166.08652	2.0
167.10660	4.5
168.10243	2.3
173.13205	2.1
175.11179	6.0
177.09163	1.0
177.12782	1.0
178.04947	0.8
178.08636	7.5
180.10196	1.8
182.11804	2.3
188.07108	2.1
188.14571	0.7
189.12773	0.9
191.14330	1.4
192.10211	2.9
193.10962	3.2
194.11891	2.0
198.13087	0.7
199.14890	1.0
202.08917	1.2
202.15945	4.9
204.10249	0.8
206.11868	1.0
207.13873	1.0
208.09679	13.8
215.14354	1.6
232.13354	1.3
233.15376	23.7
239.11853	1.0
244.09705	1.3
246.14941	1.8
247.15709	5.8
248.16441	6.9
264.15991	2.9
290.17526	8.3
302.21558	0.9
304.90369	0.7
306.20660	0.8
319.93030	0.8
330.20651	12.7
348.21719	100.0
349.14124	1.4
349.18301	5.1
349.22079	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	348.2169
Annotation	Consabatine
Peak:m/z	Relative Intensity
53.03934	1.5
55.01858	1.4
55.05499	3.1
57.03434	1.0
67.05518	1.5
68.05017	3.0
69.03421	2.0
69.07050	2.3
70.06594	15.7
70.50645	1.3
70.50989	0.9
71.04990	2.0
72.08162	5.2
79.05495	3.8
81.03423	7.6
81.07068	4.3
82.06570	1.0
83.04984	7.6
83.08572	1.6
84.04493	2.0
84.08137	3.0
85.02905	3.3
86.09700	2.2
88.04000	0.8
89.57748	0.8
91.05481	5.6
93.07044	8.3
94.06562	2.5
95.04966	5.8
95.08588	2.3
96.08129	1.9
97.02899	1.6
97.06528	2.0
97.40617	0.6
98.06065	4.3
99.04438	1.7
100.07600	1.8
103.05453	0.7
105.07022	7.8
107.04957	1.3
107.08607	9.2
108.08118	1.2
109.02925	1.0
109.06533	4.7
109.10162	1.5
110.06043	8.4
114.05539	8.3
115.04009	0.8
116.06315	0.7
116.07098	2.6
117.06994	1.4
119.04919	1.4
119.08620	4.4
120.08138	4.6
121.06502	2.1
121.10149	6.0
122.06032	1.1
122.09683	1.3
123.08082	1.6
123.11774	1.1
125.09614	3.5
127.03951	0.9
128.07050	2.3
129.06985	0.8
130.08632	1.3
131.08574	2.5
133.06482	1.8
133.10133	6.8
134.09671	1.6
135.08037	1.2
135.11749	1.4
136.06149	3.6
136.11177	0.9
138.09099	0.9
139.07487	0.8
140.07059	0.9
141.06992	1.2
143.08571	1.1
144.06598	0.8
144.09299	0.9
145.06438	0.8
145.10139	1.8
146.09686	1.0
147.04356	2.3
147.08017	1.3
147.11670	3.2
148.11177	3.6
149.09607	5.9
151.06351	1.2
151.07530	5.8
157.10129	1.8
159.08116	1.2
159.11668	5.0
160.11201	1.6
162.09113	2.9
162.10321	0.7
164.06998	1.0
164.10721	1.8
165.12727	0.8
166.08640	2.4
167.06854	1.0
167.10693	3.9
168.10201	1.5
169.06483	1.0
171.14920	0.9
173.13130	1.9
175.11162	6.1
177.12831	1.1
178.08632	6.9
180.10196	2.2
182.11761	2.1
186.11320	0.7
187.07573	1.6
188.14432	0.8
189.12717	1.2
191.14278	1.3
192.10176	1.6
193.10989	2.9
194.11748	1.1
199.14748	0.8
202.15898	4.5
204.10173	0.9
207.13734	0.9
208.09685	10.7
211.07602	1.4
215.06947	1.6
215.14267	2.9
224.12755	0.9
232.13329	0.9
233.15361	22.7
234.11174	1.0
239.07033	1.3
242.11568	0.7
246.14999	1.0
247.15732	4.8
248.16466	6.0
256.07278	0.9
264.16083	1.8
271.09662	2.9
274.12875	0.9
275.09143	2.5
290.17560	8.3
302.13925	2.1
302.21356	1.4
317.10190	2.1
324.13760	0.9
330.20679	11.0
331.13028	1.1
348.13507	10.2
348.21698	100.0
349.09128	2.4
349.13513	0.7
349.21967	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.05505	6.2
56.05036	6.8
60.04535	3.9
61.01146	3.1
63.02029	1.8
64.88613	1.6
67.05493	8.8
68.05021	7.0
68.87212	1.4
69.03427	5.6
69.07076	2.9
70.02967	1.6
70.06593	32.6
70.58884	4.6
71.04994	9.6
72.08149	8.2
74.06069	5.9
79.05496	9.7
81.03435	3.1
81.07055	12.2
82.06585	1.9
83.04977	6.8
83.08623	4.7
84.04520	5.8
84.08152	3.8
85.02870	3.9
85.06548	2.5
86.09693	3.7
91.05485	10.7
91.11385	1.8
91.68528	1.7
93.07050	17.4
94.54647	1.7
95.05000	3.3
95.08612	28.2
96.08127	7.6
97.06533	68.8
97.40813	1.6
98.06059	13.6
100.07592	11.4
102.25372	1.6
104.05317	5.2
105.07035	23.2
106.06590	2.0
107.04927	3.1
107.08589	23.6
109.06521	15.4
109.10154	2.9
110.06007	3.2
110.07212	2.1
111.08089	2.2
113.09647	37.5
114.05531	28.4
116.07111	16.6
116.08353	1.6
117.07011	2.4
118.06549	3.7
119.08588	10.8
120.08084	8.5
121.06492	2.4
121.08795	1.8
121.10167	10.5
122.09674	3.6
123.08069	4.4
125.09647	5.7
126.05514	5.1
128.07076	14.4
130.05048	2.7
131.05162	1.7
131.08551	15.7
132.08041	2.3
133.10133	20.6
134.09683	2.1
135.08069	3.4
135.11690	5.4
136.06165	1.8
136.11227	8.5
137.09706	4.3
140.07085	2.4
142.07732	3.2
142.08737	2.9
143.08540	2.4
144.06602	8.0
144.08130	2.6
144.09346	2.7
145.10136	6.9
146.06010	10.7
147.11703	15.5
148.11188	6.3
149.09599	3.0
149.13240	4.0
151.06305	3.6
155.10672	100.0
157.10141	11.3
157.22928	1.6
157.60753	1.7
159.09160	2.2
159.11711	23.7
160.11221	5.5
162.09113	1.9
163.11220	2.6
164.07014	3.4
166.08655	4.0
168.10190	21.1
173.13304	6.2
174.05908	2.1
174.12906	3.2
175.11200	20.4
176.14372	1.8
177.12814	2.4
178.08641	15.3
186.12842	2.3
187.14914	3.0
188.07079	19.0
189.08846	2.2
191.14262	3.0
192.10173	5.3
194.11768	12.7
197.13173	2.7
201.06889	3.2
201.15157	2.1
202.15909	6.9
205.09789	6.5
206.11819	2.1
207.13899	2.3
208.09773	2.9
215.14293	18.4
217.08168	3.8
217.15945	2.9
219.07928	3.6
232.13492	2.7
233.15408	4.7
246.15010	5.6
247.07526	5.3
247.15694	6.2
248.16516	7.2
262.14389	2.0
264.75162	1.9
274.14377	2.3
290.17535	9.5
330.20605	5.4
348.21719	88.0
349.13885	4.5
349.22037	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	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	32.9
57.03438	16.8
59.91348	10.7
60.02974	11.6
67.05508	74.5
69.07057	34.7
69.27213	75.4
69.27639	42.5
77.93079	10.7
79.05493	50.2
81.07059	73.5
83.08608	21.9
91.05492	45.6
93.07058	43.9
95.08608	52.6
97.10159	28.7
98.20660	23.0
105.07027	30.6
107.08591	47.7
109.10172	90.9
114.13068	12.9
117.06980	14.9
119.08531	21.5
121.10129	27.3
125.09604	24.6
126.84619	11.7
133.10112	27.7
145.10077	14.3
149.13287	21.1
155.10695	22.9
159.11729	23.0
163.11215	11.6
173.11774	100.0
189.11261	34.3
195.13863	38.3
213.14923	27.7
237.70134	12.0
265.31152	13.6
275.20029	79.4
293.20911	14.8
311.84018	12.9
346.28009	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	348.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
57.03434	0.4
66.86192	0.2
67.05517	1.3
69.07066	0.5
69.80177	0.2
70.06599	0.4
70.12056	0.4
70.12434	0.4
71.05008	0.3
72.08149	0.5
79.05512	1.1
81.07057	1.7
82.79492	0.2
83.04994	0.3
83.08612	0.4
84.04477	0.4
85.02937	0.2
86.09700	0.3
86.20045	0.2
91.05473	0.8
93.07055	1.2
94.04045	0.9
95.08615	1.1
97.02893	1.2
97.06528	0.7
98.20808	0.4
105.07023	0.6
105.33044	0.2
107.08588	0.8
109.06510	0.2
109.10103	0.3
111.08054	0.3
112.78236	0.2
117.07045	0.2
119.03534	2.3
119.08595	0.3
121.10155	0.4
131.08562	0.6
133.10144	0.4
135.11736	0.3
136.06190	100.0
137.04601	2.0
147.04424	0.3
153.05566	0.3
159.11723	0.6
174.07843	0.4
187.07353	0.3
218.72093	0.2
286.16675	0.8
296.69186	0.2
297.15170	0.3
302.17331	0.3
327.62088	0.2
330.19235	7.6
348.20313	48.6
349.20786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72688	1.9
54.02277	1.9
55.01891	1.8
55.05499	7.0
56.05034	2.7
57.03437	2.0
57.07063	2.5
57.64824	1.7
60.04534	3.2
64.91858	1.8
65.24095	1.9
67.05504	8.3
68.05019	8.5
68.93502	1.6
69.03431	6.2
69.07072	6.8
70.06595	40.7
71.05001	9.9
71.28986	2.2
72.08159	8.8
74.06083	1.8
79.05500	10.5
81.03409	3.4
81.07056	15.3
83.04974	7.6
83.08615	2.6
84.04539	4.4
84.08133	3.5
85.02899	5.9
85.06524	2.5
86.09707	3.0
87.04490	5.0
91.05489	12.6
91.52016	1.6
93.07061	17.7
94.06581	2.4
95.04991	4.3
95.08615	31.4
96.08135	9.8
97.02917	2.0
97.05910	3.7
97.06536	64.3
98.06059	7.2
100.07616	7.9
105.07036	24.1
107.04942	4.3
107.08591	21.2
108.08133	3.4
109.06521	11.5
109.10151	4.3
110.06035	3.0
111.08115	1.8
113.09645	35.2
114.05535	23.7
115.05402	2.7
116.07082	15.0
117.07056	3.6
119.08590	14.8
120.08111	7.5
121.06487	4.4
121.10155	10.7
121.41631	1.8
122.09672	3.2
123.08090	5.5
125.09632	4.8
126.05570	2.1
128.07068	14.7
129.07013	2.2
129.10263	2.0
131.08583	17.6
133.06509	2.1
133.10110	11.1
134.09674	2.6
135.08107	2.1
135.11699	7.1
136.06184	3.5
136.11215	6.0
137.09631	5.3
140.07069	5.4
142.07719	3.5
142.08708	4.1
143.08502	1.9
144.09329	2.5
145.10092	8.9
146.06000	1.8
146.09709	2.6
147.11679	19.2
148.11246	6.9
149.09608	5.5
149.13210	2.3
150.12775	1.8
151.06332	3.1
155.10672	100.0
157.10117	11.1
159.11688	22.0
160.11179	4.1
162.12820	1.8
163.11244	2.7
164.07069	3.3
166.08678	4.6
168.06598	3.0
168.10217	23.3
171.11661	3.0
173.13245	2.8
174.12860	2.5
175.08853	2.2
175.11198	21.8
177.07820	2.2
177.12840	2.6
178.08617	14.3
180.10233	2.1
184.75555	1.6
186.05821	3.1
187.14825	2.2
188.14337	2.6
189.12752	3.2
191.14319	4.2
192.10251	5.5
194.11794	11.8
197.13269	3.2
199.14777	1.8
202.15971	6.4
206.11841	4.2
208.05960	1.9
211.08781	2.8
211.12340	2.9
215.08171	2.0
215.12125	3.6
215.14346	17.9
217.09784	8.1
232.13486	2.5
233.15407	6.3
239.11821	5.3
243.11360	2.8
246.14963	5.2
247.15744	7.7
248.16528	6.7
257.09058	2.0
257.12759	2.1
267.11304	5.8
271.10806	2.5
285.12500	5.8
289.11768	3.7
290.17532	10.0
295.10831	4.7
303.13370	3.0
313.11853	11.5
330.20853	4.5
331.12878	17.0
348.12860	5.6
348.21753	87.3
349.13947	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	30.4
57.03448	10.5
58.17405	9.9
67.05509	87.5
69.07060	31.7
69.27174	26.4
69.27573	63.0
70.42023	8.8
79.05519	44.8
80.85970	8.8
81.07069	53.8
83.08620	22.1
91.05492	23.8
93.07042	38.7
95.04959	11.2
95.08600	36.5
97.10171	18.9
98.20776	16.7
105.07040	28.2
107.08595	32.7
109.10155	60.2
111.08073	12.0
117.07016	10.7
119.08573	21.2
125.09641	25.1
133.10149	19.1
147.11707	15.1
149.09680	13.1
150.36595	10.1
155.10709	38.4
159.11742	14.9
163.11133	12.4
167.28340	8.5
173.11766	100.0
189.11218	14.2
195.13864	36.4
218.50905	8.8
235.05086	8.9
257.18799	14.4
275.20041	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	5.4
55.05511	23.4
61.73738	5.1
67.05506	86.7
69.07060	17.2
69.79574	12.5
69.79975	21.8
71.05003	7.0
72.28021	5.7
74.90105	6.0
79.05523	26.8
80.51236	6.0
81.07063	31.5
83.04951	7.2
83.08615	17.6
88.96842	5.5
91.05470	22.3
93.07040	20.3
95.08601	26.1
97.06522	9.5
97.10173	16.0
105.07018	20.2
107.08627	26.8
109.10168	61.1
111.08082	7.0
119.08588	13.9
121.10181	5.5
125.09642	15.7
131.49796	5.8
133.10143	11.7
135.11729	8.7
143.90916	5.2
149.09602	6.2
149.13222	6.9
155.10657	28.3
159.11684	7.2
169.61946	6.7
173.11742	100.0
173.13159	6.9
189.11263	18.1
195.13774	13.0
275.20026	31.6
293.21164	8.4
317.73489	5.9
365.06702	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	345.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.70871	0.5
61.66193	0.5
67.05487	2.4
68.05030	1.0
69.03447	2.5
69.07072	5.1
70.06577	2.1
71.55123	0.7
72.08137	2.0
79.05481	1.4
80.04986	0.8
81.03419	1.9
81.07042	2.2
83.50497	0.5
84.04507	0.8
84.08141	3.5
84.10309	0.5
85.02884	1.1
86.09705	1.7
89.03916	1.5
91.05474	1.5
93.05762	0.9
93.07067	0.8
94.06026	1.0
94.06573	12.4
95.04972	2.5
95.08633	0.7
97.02899	2.0
97.06535	1.3
98.06030	0.8
98.09699	0.6
105.06996	0.8
107.04929	1.1
107.08593	1.0
108.08103	1.8
109.06519	0.7
110.06015	2.3
111.70715	0.6
112.07593	1.9
116.04315	0.7
116.04987	7.6
116.07046	0.8
118.49481	0.5
119.08604	0.8
121.35858	0.5
122.05162	1.1
122.06039	20.9
123.04443	1.3
127.03888	0.5
130.08536	0.6
131.04907	0.8
132.97786	0.7
134.06021	0.8
136.07565	1.0
137.05980	5.3
139.11191	0.7
140.07069	30.9
141.07867	1.1
144.04453	17.8
145.04877	0.6
146.06029	8.2
147.11444	0.9
148.07573	0.6
154.03127	0.6
160.63385	0.6
162.05510	8.3
162.06766	1.0
164.07053	4.3
167.07210	0.5
172.03947	58.6
173.04288	1.0
174.05501	3.2
176.06982	0.6
178.08678	1.1
181.09857	0.6
181.12256	0.7
183.02956	0.7
183.13849	2.2
190.05020	2.2
204.06572	100.0
205.07056	2.1
206.08139	14.6
224.12866	0.5
253.08507	0.7
254.17561	0.7
255.17902	3.7
300.12485	1.4
301.18259	1.9
313.03531	1.3
313.11734	2.5
327.13229	2.1
327.19565	1.2
327.23053	0.8
328.11853	0.7
331.12872	2.2
345.14676	4.5
345.24487	1.2
351.93469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05030	0.7
63.95393	0.4
69.03413	0.9
69.76851	0.7
69.77264	1.5
70.06596	3.0
72.08149	2.7
73.88519	0.4
79.05492	0.9
83.04982	1.0
83.06105	1.9
84.04504	0.6
84.08142	1.8
85.02894	1.9
86.03543	1.7
86.09710	2.0
91.05489	1.7
95.04948	0.9
95.06093	1.2
95.08616	0.5
96.04482	0.5
97.02873	0.6
100.64344	0.4
104.05014	0.5
105.03403	0.8
105.05790	0.9
105.06956	0.5
106.06551	0.7
107.04921	0.6
109.02905	0.5
110.97048	0.4
111.05564	4.9
117.05779	0.7
118.06548	0.6
119.04919	1.0
120.04491	3.3
120.05238	0.8
120.08149	0.5
122.07101	0.5
123.04443	0.9
123.05569	1.0
124.05074	0.5
125.05833	1.1
126.06660	3.0
127.03912	0.7
130.06557	1.2
132.04463	27.5
132.08055	0.7
133.05261	0.8
134.06027	5.6
136.07584	4.4
137.04880	2.4
137.05945	3.6
140.08098	0.8
146.06131	0.4
147.04407	3.8
148.03780	0.5
148.04784	2.9
148.07526	0.6
150.05505	4.4
151.06157	11.5
151.85004	0.4
158.05965	0.6
164.07043	0.7
165.05450	2.1
166.05942	2.0
166.07224	0.8
177.04175	0.7
182.08202	1.0
183.11328	1.1
184.09804	0.5
184.14488	0.4
187.08669	1.0
194.06747	5.1
195.07607	0.9
200.67542	0.4
202.09816	2.3
203.08162	1.9
206.12567	0.7
214.09813	0.6
217.19865	0.5
230.09283	1.4
231.07657	1.9
232.10822	2.6
235.47574	0.4
239.07288	0.5
242.09235	5.9
243.11313	1.4
257.10345	6.4
258.08823	1.1
259.11914	11.7
284.11478	4.8
301.14264	0.9
302.12476	19.8
303.12778	0.5
327.11905	2.7
345.13086	100.0
346.13358	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83483	2.4
55.01866	3.0
56.96562	11.5
57.03423	3.2
61.04038	11.3
69.03434	5.5
70.76888	7.2
73.02904	3.6
74.02405	2.6
81.03423	6.0
83.04974	2.5
84.08141	4.5
85.02910	13.2
97.02888	7.0
98.97569	5.2
101.00902	3.4
104.06372	2.7
109.02872	3.3
119.01897	9.3
121.74510	2.5
127.03902	6.6
128.98627	4.5
131.01923	5.5
134.80455	2.8
134.99742	2.9
142.03459	2.7
143.01913	4.5
145.03526	3.1
145.04837	2.8
154.03529	2.8
154.94153	4.7
158.97221	3.0
170.03027	18.4
171.01419	2.8
173.02997	4.9
177.00964	14.3
182.97311	2.7
183.05022	3.1
184.04564	7.7
185.02840	3.7
189.02408	2.4
190.24796	2.7
196.04575	5.6
197.03035	4.5
198.02495	20.6
200.98303	13.7
201.01028	6.6
214.05484	3.5
214.96542	7.9
216.03566	4.0
218.99829	5.9
219.02016	100.0
220.02013	5.9
223.01532	3.2
224.98192	3.2
227.02414	3.0
229.11507	3.2
230.99577	4.2
233.03375	3.1
237.99423	3.2
238.96628	3.1
240.03421	2.9
242.03540	5.1
242.99408	3.7
244.02910	11.7
246.98601	3.9
256.97601	43.1
257.97604	3.6
262.04144	3.4
264.07687	4.2
268.03088	6.7
280.97351	5.9
285.00449	4.3
286.04126	25.6
298.98413	62.1
303.04041	11.3
304.05142	17.5
321.99484	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	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	24.1
56.80673	13.3
57.07097	17.9
67.05506	98.3
69.07064	23.7
71.08614	18.9
71.56192	20.4
74.20763	13.0
79.05489	42.8
81.07065	70.6
83.04982	18.5
83.08629	21.6
88.07633	22.6
91.05524	32.0
93.07052	51.7
95.08619	41.5
97.06524	22.9
97.09508	12.2
100.11252	22.4
105.07027	24.1
106.04987	14.7
107.08604	25.3
109.10184	54.6
117.07104	15.3
119.08620	22.1
133.10175	18.3
135.11670	13.5
139.11182	28.6
149.13248	25.9
173.11784	62.2
177.16536	16.4
187.13289	15.8
195.13823	26.2
224.20235	13.6
277.21600	30.0
344.25580	40.4
344.38379	92.7
345.20450	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.05519	18.3
56.05029	11.4
57.03440	4.6
57.07087	18.7
60.04528	31.2
63.37105	2.9
67.05510	47.8
69.07081	18.7
69.33466	29.9
70.06579	3.5
71.08641	18.3
74.06082	26.7
79.05508	22.4
81.07063	42.0
83.04971	6.3
83.08611	12.6
85.06529	4.0
85.10133	4.2
85.97690	2.9
88.04002	18.1
88.07636	66.2
91.05479	17.2
93.07043	28.4
95.04965	7.9
95.08614	30.5
97.06505	7.4
97.10180	8.6
99.08098	6.4
102.05528	3.6
105.07036	12.0
106.05035	71.0
107.08608	11.3
109.10166	18.5
111.08062	6.0
119.08591	16.1
121.10129	13.8
123.11704	5.6
125.09622	7.5
129.07011	4.6
131.08536	5.6
133.10144	8.6
135.11703	7.6
139.11185	13.4
145.10115	4.7
147.11711	5.4
149.13336	5.9
151.11165	4.9
155.10703	3.6
161.13292	5.3
163.11134	4.9
163.14699	4.7
169.90582	3.2
171.11678	3.8
173.11746	13.0
203.12697	4.0
204.30605	3.4
259.20572	6.2
277.21680	24.9
278.21771	3.5
291.23154	5.5
298.30960	14.1
344.31607	100.0
344.35287	12.8
344.38437	4.9
345.20230	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.0
55.01861	9.5
55.05508	22.3
57.03423	27.6
67.05505	59.9
69.03435	19.6
69.07077	91.8
69.76319	34.7
71.04993	37.3
76.54385	5.9
79.05492	61.8
81.03435	51.9
81.07056	83.0
83.04967	7.4
83.08612	13.9
85.06544	10.4
91.05486	48.6
93.07048	48.4
95.04971	49.9
95.08620	42.4
97.02927	14.6
97.06527	100.0
99.08105	15.3
103.05508	8.1
103.97094	6.5
105.07028	40.8
107.05016	7.2
107.08598	32.3
109.06520	23.9
109.10162	10.1
113.06066	8.5
115.07568	41.1
117.07012	16.7
119.08584	28.6
121.06477	9.6
121.10170	18.1
123.07982	7.7
129.07036	10.2
131.08563	26.2
133.10130	18.7
135.08089	7.8
135.11719	18.5
145.10129	17.0
146.54216	7.1
147.11697	7.4
153.05435	12.7
157.10167	8.3
159.11714	20.6
161.09608	12.1
171.11684	7.3
173.13290	11.8
177.12790	8.7
187.11128	7.7
195.13757	10.8
212.16360	7.8
223.13358	15.3
273.18588	10.2
291.19537	14.2
336.41302	6.2
344.25873	20.7
345.20392	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	7.9
55.05511	60.2
57.03442	17.5
67.05504	100.0
67.83579	7.4
69.03422	13.9
69.07079	46.9
69.70078	40.2
71.01355	12.6
71.04977	13.2
79.05494	87.0
81.03415	29.0
81.07056	80.4
83.04981	23.9
83.08616	24.0
84.08131	8.1
85.06519	8.7
88.71019	7.7
91.05485	70.9
93.07037	59.9
95.04968	33.0
95.08607	60.4
97.06549	17.6
97.10164	17.9
98.21559	8.1
105.07026	41.0
107.08581	45.0
109.06496	18.1
109.10160	24.0
117.06995	8.0
119.08595	30.7
121.10167	24.1
123.08089	18.0
125.09612	14.6
131.08533	19.6
133.10149	21.4
135.11728	10.2
145.10184	10.8
147.11684	16.8
159.11687	8.2
178.30894	6.0
181.81905	10.5
189.11215	19.3
210.74052	7.9
214.93954	7.3
275.20059	14.6
333.20105	8.4
344.22653	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50111	3.6
53.03908	3.7
53.81091	3.5
54.89749	3.5
55.05510	8.9
57.03437	9.0
67.05505	16.0
69.07082	27.4
70.22139	18.2
71.05000	5.8
72.16429	3.9
73.06102	3.4
79.05499	27.2
81.03409	13.1
81.07045	19.1
83.04994	8.0
83.08617	4.7
91.05473	17.5
93.07050	19.5
95.04974	22.9
95.08612	11.8
97.06535	100.0
105.07063	7.4
107.08600	9.2
109.06521	8.6
109.10168	7.2
111.08074	4.5
115.07580	18.5
117.07004	5.1
119.08590	7.5
121.10164	7.1
129.06989	5.4
131.08566	8.0
133.10127	10.6
145.10127	6.6
149.13345	4.1
159.11710	7.3
177.12753	6.9
195.13867	5.0
223.13361	4.1
255.46179	4.0
273.18457	4.3
282.81573	3.8
344.25674	9.4
345.22144	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01878	2.9
55.05516	25.8
56.05042	2.6
56.84472	0.6
57.03439	1.4
57.07068	0.7
59.05004	1.2
65.03938	1.1
67.05506	8.3
68.05015	1.2
69.03441	7.3
69.07062	4.7
70.06594	9.0
71.04998	100.0
72.05321	0.9
73.06577	0.7
79.05499	13.4
80.05019	1.0
81.03416	1.6
81.07059	8.6
82.06614	0.9
83.04993	2.4
83.08620	8.9
83.09061	1.0
84.04489	1.1
84.08142	4.9
85.02918	1.3
85.06553	1.2
88.04009	4.7
91.05489	6.1
92.01434	0.7
92.06207	0.7
93.07043	7.5
94.06580	1.9
95.04961	1.6
95.08620	2.8
96.04481	0.8
96.08136	9.7
97.02890	2.0
97.06517	0.8
97.10178	14.1
98.06048	4.3
100.07669	1.1
102.05521	0.9
105.07052	4.0
106.06592	1.0
107.04954	1.0
107.08597	10.6
109.06548	1.4
109.10108	1.5
111.08092	3.7
112.07618	2.7
114.05525	0.8
114.09138	1.2
116.07130	0.8
117.07023	2.3
119.08587	1.4
121.06498	0.7
123.08089	2.3
124.07616	3.1
125.09630	8.5
131.08565	1.6
132.01433	0.6
135.08035	5.6
142.08644	0.8
145.10112	1.1
145.37857	0.7
153.05554	1.3
153.09140	3.8
158.08165	2.9
158.27155	0.7
169.47963	0.6
177.05510	0.7
178.05873	0.8
216.18135	0.7
234.98897	0.8
268.18942	0.7
276.45825	0.6
282.16928	0.9
297.88916	0.7
344.20685	95.2
345.20984	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	344.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
55.05507	4.8
56.05043	7.0
64.42652	1.6
67.05503	19.8
68.05012	2.7
69.03439	48.1
69.07071	12.5
69.61877	6.0
69.62286	3.2
69.73433	1.3
70.02959	9.9
70.06584	6.2
71.05023	1.5
72.04504	2.2
79.05495	11.3
80.05012	1.7
81.03410	2.3
81.07063	14.2
82.06612	7.0
83.04965	3.4
83.08631	2.1
83.16528	1.5
84.04494	8.7
84.08150	25.0
85.02903	4.4
85.06530	1.9
86.06068	6.7
87.04475	70.3
88.04005	21.7
91.05500	12.3
93.07055	14.0
94.06568	6.7
95.04948	3.1
95.08613	14.7
96.08141	2.3
97.06541	2.0
98.06049	5.4
98.21465	3.1
100.03972	5.8
102.05549	36.0
105.07053	4.4
107.08589	6.5
109.06548	1.9
109.10155	7.5
110.06064	3.5
112.07613	100.0
117.07057	1.7
119.08601	5.7
120.06599	8.2
120.08118	3.5
121.10167	2.9
123.08047	1.9
123.11757	1.7
124.07605	4.1
130.05011	5.2
130.08691	2.0
131.08583	4.1
133.10129	4.0
135.11650	1.9
135.27821	1.5
136.11237	1.8
137.09648	2.8
138.09161	4.3
138.16147	1.5
140.07076	62.5
143.06465	1.4
145.10190	3.4
147.11707	3.6
149.09651	3.6
150.09192	1.8
153.05473	3.4
154.05795	1.6
156.10260	2.3
158.08142	19.5
162.12793	1.9
163.11160	3.8
166.08803	2.0
173.11760	7.4
174.07637	10.3
175.11214	1.8
180.13837	7.7
182.11688	1.4
190.12292	4.2
193.12331	3.5
208.13354	6.0
222.14818	3.6
225.14751	1.5
265.69058	1.5
266.17633	2.0
269.49536	1.5
282.16998	4.6
294.16956	1.6
298.20187	8.3
300.18088	16.1
308.18604	7.3
312.17859	1.9
326.19650	23.1
344.20724	94.9
345.21048	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	344.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04240	0.3
55.05493	1.2
56.05014	0.7
57.03439	0.5
58.06583	0.6
60.04515	0.4
66.04735	0.3
67.05486	1.2
68.04714	0.3
68.05036	2.8
69.03425	0.7
69.05804	2.7
69.07048	1.0
69.60529	2.0
70.06599	7.9
71.04993	1.4
72.08135	1.1
75.26074	0.3
77.91456	0.3
79.05479	1.3
80.05006	0.5
81.03416	1.6
81.07062	1.4
82.06572	1.3
83.04963	0.7
83.06914	0.5
83.07365	3.8
83.08614	1.0
84.04514	0.7
84.07767	0.3
84.08150	2.7
85.02878	0.5
85.06527	0.4
86.09692	0.9
91.05472	0.9
93.07023	0.9
94.06577	0.3
95.04979	0.5
95.08586	0.9
97.02903	0.4
97.06515	1.2
97.10136	0.3
98.06027	0.5
98.09740	0.3
100.02139	0.4
106.81628	0.3
107.04894	0.4
107.08574	0.4
109.06512	0.3
109.10156	0.4
110.07162	0.4
113.36156	0.3
114.05540	1.4
116.06339	0.4
116.07099	5.6
119.08584	0.4
121.10168	0.3
122.05997	0.4
123.04406	0.4
124.07582	0.3
126.09096	0.5
131.08478	0.3
133.10149	0.4
134.08145	0.4
136.07625	0.3
137.05971	0.6
139.03845	0.3
140.07068	0.9
142.08646	0.5
147.11740	0.3
149.09579	0.4
154.07132	0.3
154.08562	0.5
159.04436	0.5
164.07051	1.0
170.08148	0.4
172.03940	1.3
182.08153	0.3
193.12273	1.0
195.13907	0.5
204.06575	1.9
206.08232	0.4
208.16901	0.5
211.13257	2.3
213.14894	0.9
226.18025	1.3
236.16472	6.3
238.18011	0.6
254.17526	100.0
255.17905	2.4
266.08719	0.4
280.19186	0.6
282.16998	1.4
296.57916	0.3
298.20111	1.6
300.18076	44.9
301.18332	0.9
308.18619	0.8
326.19638	12.1
327.19888	0.4
333.49466	0.3
344.08682	0.6
344.20731	5.3
344.24326	0.8
345.14056	0.4
364.63177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82084	1.3
53.03946	1.5
55.01883	3.5
55.05515	8.2
55.20890	1.4
57.03419	1.8
58.06594	3.2
60.04522	2.8
67.05515	11.0
68.05029	12.8
68.83627	1.4
68.98885	1.2
69.03432	3.4
69.05808	3.0
69.07062	5.0
69.68296	5.9
70.06594	34.5
71.05009	8.5
72.08141	4.4
76.11803	1.5
77.36662	1.5
79.05502	7.6
81.03420	10.9
81.07066	15.2
83.04985	7.8
83.08602	7.8
84.04498	2.4
84.08142	4.3
85.02896	2.5
85.06509	2.2
86.09704	5.0
87.04440	1.6
91.05477	8.9
93.07057	8.9
95.04953	5.6
95.08604	6.8
96.08134	3.0
97.02898	2.6
97.06548	12.8
97.10150	5.5
98.09709	1.6
99.04475	2.2
100.07661	1.7
100.42448	1.5
105.07031	6.9
107.04948	3.1
107.08580	6.0
109.10152	3.0
111.04453	2.3
111.08066	2.3
114.05521	7.7
116.07097	46.2
117.06985	2.0
119.08575	2.6
121.06442	1.7
121.10124	3.8
122.02802	1.6
125.09629	2.5
128.07010	2.0
131.08565	3.5
133.10115	4.4
136.07568	3.3
137.06003	3.5
142.08621	3.6
147.11694	3.3
149.09639	2.0
154.08623	2.7
157.10109	2.2
159.11690	2.0
164.07086	7.7
170.08212	3.0
182.08130	1.8
183.13802	5.8
193.12274	8.9
195.13789	7.3
197.11815	1.9
211.13313	10.8
213.14897	8.0
226.17885	1.4
236.16469	7.3
238.17940	1.9
252.19603	2.3
254.17523	73.5
255.17673	2.2
280.19019	7.5
282.16907	10.2
286.03247	1.4
298.16751	2.6
298.20190	4.1
300.18060	25.7
308.18558	6.3
326.19623	100.0
327.19839	3.0
344.16782	1.7
344.20575	4.9
344.24356	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	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.6
61.02911	1.5
69.03451	3.2
69.63428	3.1
70.86745	0.6
73.51144	0.5
80.95164	0.5
81.03426	1.0
85.02426	1.1
85.02911	14.8
91.03947	0.7
91.05481	5.9
95.04951	0.6
97.02907	3.3
99.04459	0.7
109.02869	2.0
119.04945	15.8
123.04421	2.6
127.03910	2.2
145.04941	2.9
147.04416	100.0
148.04773	1.0
163.06079	0.6
165.05487	43.3
180.08688	1.7
182.08226	0.9
182.49774	0.7
247.22464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
61.02942	1.2
69.03432	3.3
70.06599	1.2
70.53476	0.5
70.76479	1.2
72.08167	0.8
73.02892	0.6
81.03426	2.0
85.02915	15.9
91.03987	0.6
91.05486	5.2
91.12209	0.5
97.02882	4.1
107.80302	0.5
109.02909	1.3
116.07118	1.0
119.04105	0.9
119.04958	17.6
123.04435	2.3
127.03884	3.0
145.04973	3.4
147.04424	100.0
148.04727	1.1
165.05493	54.2
166.05855	0.8
175.62555	0.5
180.08693	1.6
182.08142	1.3
195.80119	0.6
199.62840	0.5
288.27524	0.6
344.13406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25361	1.2
55.01871	3.4
55.05519	6.6
56.05031	1.6
58.06596	3.4
60.29749	1.2
61.00755	1.4
69.03419	1.7
69.07069	8.5
70.06609	8.8
71.26962	2.2
71.27296	1.9
72.08157	40.1
73.79967	1.3
77.87361	1.3
79.05491	20.3
81.07048	3.6
82.06593	2.2
84.04505	2.1
84.08138	2.2
84.21239	1.3
85.02943	2.2
86.09708	72.4
88.03983	4.7
91.05474	6.4
95.04990	1.7
95.07367	2.0
95.08593	2.2
97.86328	1.6
99.47548	1.5
103.05481	3.4
104.52862	1.6
105.03381	14.7
105.07021	2.6
107.04955	75.0
107.08593	1.6
108.05254	2.5
109.10139	1.6
109.88942	1.3
115.05473	2.5
116.07085	2.6
119.04926	4.9
119.08537	1.5
121.06525	1.7
121.77576	1.3
122.06013	2.1
127.03912	1.8
131.04910	10.9
136.07558	2.2
137.02310	2.4
140.07056	2.1
141.06963	1.8
147.04466	2.3
149.05983	3.9
149.08336	5.3
150.09149	13.1
151.28542	1.5
155.08572	3.3
164.07002	1.5
165.05478	3.8
165.07008	5.7
166.07780	1.6
171.04391	4.1
173.05975	2.4
175.03850	2.0
175.08696	1.8
178.07834	5.8
179.08562	15.7
181.06479	54.6
181.10071	2.9
182.06757	1.7
182.08212	2.8
182.91020	1.5
183.08095	9.7
184.07701	1.8
185.16505	35.5
191.08606	2.2
193.31989	1.3
194.07320	3.2
195.08002	6.6
196.09027	2.4
196.09624	2.5
197.09660	11.7
199.03876	2.9
203.08542	2.2
206.07184	1.5
207.08064	43.9
209.09657	9.2
211.07585	11.8
213.15974	18.4
217.04926	2.8
219.08351	1.5
221.09622	6.0
225.09088	5.6
231.08040	1.9
231.16978	3.6
235.07567	12.9
238.12280	22.1
248.10738	3.2
249.09151	22.9
249.11588	2.8
250.09468	1.6
253.08609	25.4
262.12268	8.0
267.10199	7.5
277.08792	2.7
280.13327	86.1
281.13626	4.4
284.12833	21.1
295.09625	16.4
298.14362	58.0
299.14719	2.1
308.13141	2.0
313.10706	5.0
326.13895	29.9
344.14917	100.0
345.06055	11.6
345.15079	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	343.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.05510	11.2
56.04953	1.1
57.03437	1.8
57.07084	9.6
67.05173	1.7
67.05508	26.0
69.03441	1.1
69.07076	22.9
69.66368	1.0
71.04974	4.0
71.08607	1.4
71.56561	1.9
79.05496	14.9
81.07063	77.9
83.08617	10.0
85.06550	10.1
91.05471	11.4
93.07049	37.0
95.04955	2.3
95.08614	100.0
96.08949	1.3
97.10179	4.7
99.08124	1.6
105.07040	23.7
107.07859	2.5
107.08601	46.1
109.06539	1.4
109.10162	51.5
111.08064	3.3
111.11728	1.5
113.09660	12.1
117.07020	4.4
119.08585	29.2
121.10148	38.7
123.10818	2.1
123.11718	32.9
125.09608	2.5
131.08565	7.2
133.10141	22.1
135.08054	2.0
135.11711	33.1
137.09634	2.2
137.13271	34.5
139.11203	1.7
143.08530	2.7
145.10132	14.9
147.11696	19.6
148.65498	1.2
149.09590	1.2
149.13281	21.2
151.11131	1.9
151.14793	6.2
153.12779	2.5
157.10167	3.6
158.04544	1.2
159.11714	12.1
161.13258	16.8
163.14824	15.0
165.12799	2.3
171.11693	6.1
173.13283	9.9
175.14822	10.2
177.12762	2.0
177.16412	9.0
179.14363	1.4
185.13264	4.7
187.14850	12.2
189.16402	16.4
191.14328	3.7
191.17914	11.0
193.15843	2.9
199.14740	1.5
201.16425	11.4
202.68199	1.2
203.17964	8.0
205.15871	4.8
205.19548	7.9
207.17413	8.8
213.16414	2.8
215.17935	12.3
217.19525	4.9
219.17480	4.2
227.17928	2.9
229.19540	4.4
231.21098	2.8
233.19115	1.5
240.23233	3.3
241.19574	3.2
243.21071	2.8
255.21027	5.6
259.20596	1.9
259.24173	3.7
269.22644	7.3
273.22238	2.0
283.24237	1.7
285.25620	1.8
287.23743	2.5
299.27432	2.8
325.25150	2.4
325.28925	42.2
342.63235	1.2
343.29971	77.3
343.37234	12.4
344.30377	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	344.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23455	0.4
56.05024	0.5
56.96554	0.6
65.24630	0.4
68.05030	0.8
69.03423	0.9
69.19028	0.4
70.06582	1.7
71.54318	0.5
78.15232	0.4
81.03390	0.4
82.06598	0.5
83.06103	0.8
84.08126	0.9
85.02921	2.0
95.06102	1.0
97.01147	0.4
98.00635	0.8
100.02167	0.5
107.06079	0.6
109.07667	0.4
110.06041	0.7
112.02184	3.1
112.07648	0.5
116.01705	0.5
116.02505	0.4
116.10693	0.6
119.01911	0.8
119.04860	0.4
119.06120	0.5
121.07639	0.4
126.03704	0.9
129.06599	0.5
131.01799	0.4
136.07635	0.5
137.07117	2.4
140.05319	0.5
141.06546	0.6
145.03442	0.8
151.03287	2.5
152.04083	0.4
153.06601	12.8
153.07837	0.7
154.23753	0.4
165.05458	0.5
165.06619	8.1
166.07594	0.4
167.08195	1.5
168.99791	0.4
169.04335	0.5
169.06065	1.1
173.02878	0.5
175.02878	0.4
179.06378	1.4
179.08090	0.6
181.06180	0.9
182.08112	0.7
183.07599	0.5
191.08167	2.4
192.08868	0.7
195.05927	0.5
195.07718	0.6
197.03828	21.1
198.06000	0.5
208.49052	0.4
209.03824	0.5
213.06947	0.8
215.04874	1.6
223.05380	2.3
225.06937	12.9
241.06419	12.1
269.05914	13.8
280.07516	9.4
287.07016	1.0
298.08575	2.8
326.08060	24.9
344.09119	100.0
345.09286	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01868	6.0
55.05521	26.8
56.30338	3.7
57.03431	7.3
57.07069	6.4
59.05001	3.8
67.05508	50.4
69.07067	33.6
70.06589	16.4
71.04953	5.8
71.28909	4.8
72.08162	10.3
79.05496	33.2
80.05027	5.4
81.07059	100.0
83.04976	6.1
83.08640	17.2
84.04498	6.0
85.02898	5.7
85.06546	7.9
86.09702	7.9
91.05482	24.2
93.07062	45.4
95.04974	10.6
95.08612	81.6
96.93478	3.5
97.02863	5.2
97.06542	15.4
97.10198	7.1
99.08086	9.6
100.11268	30.9
105.07039	27.9
107.04987	4.6
107.08604	33.6
109.06538	8.5
109.10157	49.3
110.47990	3.3
111.08066	10.5
115.07710	3.5
116.01683	15.6
117.07047	6.2
119.08586	20.2
121.06570	4.3
121.10149	34.4
123.11732	14.5
125.09695	4.1
129.07057	4.6
130.05048	4.2
131.08580	13.3
133.02866	5.2
133.10188	19.1
135.11685	28.3
135.12587	4.0
137.05975	19.2
137.09683	4.2
137.13275	7.5
138.06348	5.3
139.06662	3.7
142.03275	25.2
144.01144	7.4
145.10135	10.9
147.04391	3.7
147.11707	13.4
149.05971	4.9
149.13274	14.7
150.73380	3.4
151.07643	4.7
153.05507	8.5
159.11707	6.8
161.06026	4.9
161.13293	9.0
162.02220	21.5
163.11263	7.8
163.14784	8.2
165.12820	4.2
170.02771	9.9
173.13264	5.4
175.14824	5.7
177.16440	3.9
181.05040	6.5
189.16425	4.8
197.05931	3.6
209.16621	4.4
209.51878	3.2
222.09401	4.4
265.08633	3.8
271.24176	5.1
277.25262	5.5
289.25269	6.5
297.11127	5.6
307.26297	10.6
325.10620	4.3
343.08200	4.7
343.11981	12.2
343.15683	8.2
343.30655	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00337	3.4
53.03941	5.6
55.01871	11.0
55.05512	21.3
57.03439	7.3
57.07082	5.8
59.05002	3.9
67.05508	53.9
69.03427	10.8
69.07072	40.5
69.40642	3.5
70.06612	19.9
71.04997	7.5
71.55554	5.1
72.08171	21.6
79.05503	35.9
80.05031	5.9
81.03423	5.7
81.07060	100.0
82.07389	4.2
83.04991	8.3
83.08625	17.4
84.08133	4.7
85.02895	9.3
85.06544	9.2
86.09696	8.1
91.05459	28.1
93.07047	55.1
95.04977	13.4
95.08604	88.8
97.02909	5.1
97.06538	8.5
97.10179	9.7
99.08095	11.9
100.11269	16.8
103.05451	4.3
105.07030	24.6
106.06662	4.1
107.04982	7.8
107.08607	35.3
109.06540	6.1
109.10161	54.8
111.08134	7.5
111.11710	6.2
114.09175	3.8
116.01681	14.4
117.07053	5.5
117.65668	4.7
119.04997	5.7
119.08593	24.5
121.02818	3.9
121.10150	28.5
123.08061	6.6
123.11726	17.1
125.09650	5.6
129.07043	5.6
131.08601	8.7
133.02844	10.7
133.10156	20.6
135.04414	4.2
135.08060	5.4
135.11665	21.9
137.05968	18.9
137.09615	4.8
139.11215	5.6
142.03233	20.9
144.01160	4.9
145.10100	11.8
147.04431	8.9
147.11713	14.1
149.09598	4.5
149.13264	17.6
153.05499	13.3
159.08076	4.6
159.11739	9.4
161.06018	7.4
161.13261	13.3
162.02242	19.8
163.07497	5.5
163.11195	9.5
163.14818	8.4
167.07031	6.3
170.02737	7.8
173.13284	4.6
175.03935	6.7
175.07549	6.8
175.14868	6.6
177.05415	6.4
177.16501	3.6
181.05009	12.5
187.14850	5.2
195.08102	4.4
211.07407	5.3
245.05899	4.8
250.06355	6.3
265.08685	11.1
267.06494	5.5
271.24072	5.2
282.08713	5.9
283.09528	4.4
289.25256	9.2
293.08035	8.4
307.09561	8.1
307.26263	8.2
311.12436	4.4
325.10693	15.1
343.08182	8.2
343.11926	23.8
343.15527	7.1
343.22922	6.4
343.30798	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.48861	2.7
53.03933	6.6
55.01864	6.5
55.05521	19.1
57.03437	7.8
57.07066	8.3
58.67061	3.4
59.05001	7.8
63.03044	3.1
67.05507	29.4
69.03429	11.4
69.07067	6.9
70.26824	12.1
71.05000	16.3
79.05492	28.2
81.07068	30.2
83.04974	6.5
88.32651	3.3
91.05485	41.4
93.07050	73.8
95.04977	62.3
95.08613	88.0
97.06530	22.3
103.05457	3.1
105.07037	90.9
107.08607	61.8
109.06525	19.1
109.10149	6.2
115.05441	7.6
117.07022	35.7
119.08582	31.4
121.06521	15.2
121.10152	17.9
123.08090	32.7
129.07018	9.8
130.07761	20.1
131.08569	10.0
133.06511	5.9
133.10101	15.3
135.08066	31.4
135.11728	13.0
137.09639	4.6
143.08569	14.1
145.10136	100.0
147.08087	14.1
147.11728	6.3
147.29051	3.2
149.09619	7.2
151.07552	56.8
153.09091	5.8
154.18358	3.8
155.08594	3.5
156.09305	3.7
157.10136	13.5
159.08032	4.5
159.11708	12.3
161.09625	9.0
161.13339	4.7
163.11195	71.0
164.06213	3.2
165.09087	17.9
171.11678	6.1
175.11232	9.0
176.41579	3.4
177.09088	6.6
179.07042	7.1
181.12280	5.6
187.11229	4.1
189.12790	16.9
191.10722	5.1
191.14346	4.2
201.12738	4.6
203.14334	9.2
207.10114	5.2
209.13251	5.3
209.15456	6.0
217.12323	5.0
221.15353	34.3
232.11110	3.6
233.15427	3.6
243.13818	4.2
263.16351	10.3
274.19193	3.6
286.19208	8.2
325.21555	12.3
343.22705	90.5
344.23022	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.74332	2.0
53.03941	4.8
55.01863	7.1
55.05515	26.5
56.05375	2.1
57.03434	9.8
57.07067	7.4
59.04992	9.1
59.57243	2.1
65.03937	2.1
67.05167	2.9
67.05505	33.1
69.03426	9.3
69.07058	9.0
70.00774	9.9
71.04993	23.8
75.24486	2.2
79.05492	30.8
81.03419	5.0
81.07056	37.5
83.04967	5.0
83.08607	4.9
85.06547	5.7
86.85772	2.1
91.05477	40.5
93.07049	93.3
95.04977	69.2
95.08610	100.0
97.06528	20.2
97.10159	4.8
99.08082	2.5
103.05495	3.5
105.07034	92.0
107.04955	3.7
107.08595	66.9
107.97411	2.1
108.08946	3.4
109.06528	20.2
109.10149	6.8
115.05442	8.6
117.07018	36.2
119.07768	4.4
119.08576	34.9
121.06527	22.4
121.10150	22.9
121.46046	2.6
122.07256	3.7
123.08074	30.3
125.05996	3.3
125.09628	5.2
126.09979	3.2
128.06177	4.6
129.06989	11.0
130.07800	20.6
131.08575	17.5
133.06480	7.8
133.10136	18.2
135.08066	30.5
135.11681	23.6
137.05969	3.0
137.09634	6.4
142.07730	3.4
143.08548	16.9
145.06473	3.6
145.10126	98.6
145.11282	4.8
147.08047	19.9
147.11665	7.9
149.09608	6.5
151.07549	57.9
153.09134	6.1
155.08502	3.0
156.09282	4.9
157.10112	9.2
158.10944	4.0
159.08023	5.5
159.11702	9.2
161.09669	10.8
161.13298	8.3
163.11191	72.6
165.09134	22.9
169.10196	7.7
171.11623	7.4
173.09634	6.5
173.13161	4.5
175.11209	5.9
175.14792	2.6
177.09100	8.1
179.07077	4.3
181.10025	2.6
181.12184	2.7
182.10973	2.4
183.11710	3.7
185.09543	2.7
185.13229	5.5
187.11200	6.3
189.09132	3.4
189.12796	14.1
191.14302	4.8
193.12056	2.3
195.11676	3.0
197.13310	6.0
199.14847	3.7
203.14291	12.9
207.10091	3.3
207.11996	2.7
207.13835	9.2
209.13295	4.6
209.15285	5.4
213.12737	3.1
215.14354	5.2
217.12074	3.3
221.15373	34.0
225.12819	3.0
225.16281	2.8
227.14413	3.2
240.23198	2.8
241.15761	4.2
245.15607	2.5
263.16476	8.9
269.15305	2.9
274.19229	3.2
286.19241	5.0
325.21527	12.0
343.18976	7.4
343.22656	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.65522	2.6
53.03958	6.6
55.01864	8.2
55.05512	18.5
57.03431	9.6
57.07066	9.1
59.04994	4.8
59.59943	2.4
65.03934	2.6
67.05509	31.6
69.03415	12.4
69.07061	10.0
69.48691	19.7
69.91535	2.4
70.26863	2.4
70.38554	2.6
70.42544	2.6
71.05000	24.5
76.44795	2.5
79.05492	25.5
81.07058	34.8
83.04984	6.8
83.08617	5.6
85.06539	5.7
91.05481	37.6
93.07047	80.3
95.04977	65.0
95.08613	89.2
97.06544	21.2
98.06509	2.9
105.04459	3.3
105.07032	97.4
107.04993	4.2
107.08602	63.9
108.48317	2.5
109.06538	19.4
109.10162	5.0
115.05449	8.4
117.07021	39.1
119.08598	29.0
121.06501	20.4
121.10175	19.9
123.08076	28.3
125.05882	2.9
128.06227	3.9
129.07036	9.8
130.07814	20.1
131.08563	12.1
133.06519	7.2
133.10124	18.3
135.08066	30.4
135.11707	21.5
137.05969	3.3
137.09616	5.3
142.07758	4.4
143.08585	10.0
145.10132	96.5
147.08035	13.7
147.11703	6.9
149.09612	3.8
151.07555	48.5
151.08667	4.1
153.09099	4.4
155.08549	4.2
156.09296	2.9
157.10152	13.5
158.10791	2.7
159.11702	10.9
159.33690	2.7
161.09648	12.0
161.13274	5.9
163.11201	71.1
165.09140	20.2
169.10110	5.1
171.11734	4.9
173.09612	4.2
173.13281	4.1
175.11201	6.7
177.09123	6.2
179.07062	5.3
181.10185	3.5
181.12131	3.9
185.13234	3.5
187.11224	6.3
189.09120	4.7
189.12747	9.7
191.14230	4.0
197.13277	5.8
203.14319	10.8
207.10146	4.0
207.13824	6.7
209.13364	2.9
209.15372	6.6
215.14355	3.2
217.12170	4.3
221.15373	36.9
223.14861	2.8
225.12706	3.7
225.16354	3.0
233.15402	4.1
241.15894	3.4
263.16437	9.1
269.15219	4.6
286.19345	6.6
307.20572	3.6
325.21585	13.1
343.22687	100.0
344.23056	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
55.01873	2.7
55.05503	7.4
57.03435	2.6
58.51871	1.5
65.03945	1.7
67.05514	20.2
69.03456	3.1
69.07067	12.8
70.02955	58.9
70.06590	3.6
70.84975	3.1
71.04996	4.1
72.08133	2.1
74.02438	24.0
79.05486	12.0
81.03418	2.2
81.07056	55.9
82.07406	2.2
83.04979	5.1
83.08616	6.5
85.02925	1.8
85.06557	5.0
87.05594	83.4
88.03994	68.0
89.29568	1.5
91.05489	17.2
93.07044	13.0
95.04962	3.2
95.08611	21.4
97.06548	5.5
99.00810	2.0
99.08102	2.4
105.07033	32.6
107.04939	4.5
107.08585	17.0
109.06522	4.7
109.10167	9.5
116.03461	10.4
116.07084	3.4
117.07033	1.7
119.08577	20.0
121.06545	2.3
121.10139	19.6
123.08044	2.7
123.11716	15.6
129.06999	2.8
131.08585	2.9
133.06088	100.0
133.10168	3.2
135.11673	3.8
137.05981	12.4
137.13229	3.1
145.10164	3.3
147.04398	2.7
147.11679	50.6
147.12791	2.9
149.06007	2.3
153.05513	5.8
157.10048	2.1
161.13275	1.6
163.11203	4.4
165.12764	35.5
167.07019	1.9
173.13283	1.8
177.05542	2.4
181.04883	1.8
190.15906	17.3
192.13753	2.5
193.12234	3.0
205.06409	2.4
205.10233	2.1
222.06805	1.6
229.14381	6.9
234.14841	7.7
237.09065	1.8
252.15961	3.8
261.16068	2.4
262.14404	6.4
279.17023	28.2
280.15411	52.2
293.11768	3.5
307.16531	11.1
308.14902	8.0
313.14331	2.0
325.10870	1.9
325.14285	6.9
325.18338	13.8
326.16006	4.1
343.08188	1.9
343.11810	7.1
343.15546	2.5
343.22760	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.21504	4.1
53.03944	7.2
55.01866	8.4
55.05506	13.3
57.03438	10.3
57.07069	8.5
58.48531	3.5
59.04993	7.9
67.05516	25.3
69.03428	10.9
71.05003	19.8
73.82077	3.1
75.33846	3.9
79.05492	25.5
81.03428	6.3
81.07059	31.4
85.06561	5.3
91.05481	29.1
93.07047	76.0
94.08271	3.6
95.04968	65.4
95.08611	84.2
97.06510	17.4
98.20723	8.7
105.07030	89.3
105.07681	6.2
105.26115	3.3
107.04961	7.8
107.08595	68.1
109.06552	15.4
109.10155	5.9
115.05454	5.9
117.07017	31.2
119.08581	33.9
121.06520	15.5
121.10151	18.2
123.08065	35.7
129.07031	8.9
130.07793	17.0
131.08560	11.6
133.06522	10.9
133.10149	16.9
135.08066	24.7
135.11720	15.3
137.09514	4.0
142.07780	5.0
143.08575	9.3
145.10132	92.6
147.08049	11.0
147.11668	7.0
149.09634	8.8
151.07558	63.8
153.09079	4.3
155.08615	5.1
156.09326	5.7
157.10146	9.6
159.08131	3.8
159.11749	12.2
161.09586	6.6
161.13289	6.6
163.07605	3.9
163.11177	58.7
165.09126	19.1
171.11708	7.5
175.11156	8.6
177.09169	7.4
181.10146	6.2
183.11633	5.5
187.11235	4.4
189.12837	9.9
203.14252	11.0
207.13799	5.5
209.15454	5.4
217.12291	3.3
221.15334	30.4
223.14865	4.9
228.99544	4.6
233.15332	7.5
240.68172	3.8
263.16522	8.9
269.15628	4.5
325.21774	12.2
343.22678	100.0
346.33173	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	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01866	1.6
55.05502	1.6
57.03441	3.7
57.07080	1.0
59.04996	1.0
61.02934	4.9
67.05497	2.7
69.03437	15.6
69.07066	1.8
70.06582	2.3
70.83012	1.8
71.01340	0.6
71.04983	1.8
72.08150	1.5
73.02903	2.4
79.05499	4.5
81.03417	5.6
81.07065	10.0
83.04984	5.9
84.04549	0.6
84.08125	1.7
85.02911	34.6
85.06555	0.9
86.09711	1.7
87.04457	2.7
91.03947	2.5
91.05485	4.8
93.07047	9.2
93.80560	0.6
95.04974	18.9
95.08602	2.1
97.02899	9.7
97.06543	3.5
99.04456	3.6
99.38960	0.6
103.03926	1.0
105.07047	7.6
107.04943	2.6
107.08601	11.4
109.02866	4.7
109.06522	2.1
116.07105	0.7
117.06991	3.5
119.08581	5.4
121.06519	4.3
121.10154	11.1
123.04419	0.9
123.08081	1.8
125.05998	10.2
127.03925	7.9
127.61634	0.6
129.35728	0.6
130.07751	3.2
131.08536	0.7
133.06497	1.4
133.10152	1.4
135.08061	1.4
135.11697	6.8
137.05989	1.8
143.08540	1.3
145.04962	7.9
145.09036	1.3
145.10123	19.3
147.08029	1.5
161.09616	2.5
163.11194	100.0
164.11504	1.9
165.09128	1.8
167.07089	1.2
173.09743	0.7
175.07681	0.9
175.11250	2.2
181.05005	1.0
181.08640	0.6
181.12248	18.9
183.10164	0.9
187.11122	1.3
193.12303	0.7
200.70938	0.7
205.12190	1.3
223.13310	1.7
245.83211	0.7
254.17522	5.0
300.18225	1.5
325.16336	0.7
343.08157	0.8
343.12732	0.8
343.17459	1.1
347.65567	0.6
353.90985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1179
Annotation	Rengasin trimethyl ether
Peak:m/z	Relative Intensity
53.03939	0.7
55.01865	0.9
55.05502	1.2
57.03434	0.5
59.04990	0.4
65.03933	1.2
67.05518	2.8
69.03421	0.9
69.07058	1.3
70.06572	0.6
71.04994	2.1
71.55386	0.5
72.08157	0.5
73.17014	0.4
79.05073	0.4
79.05495	4.8
81.03423	0.5
81.07068	2.9
83.04953	0.5
85.02904	1.3
86.09708	3.1
87.10027	1.2
91.05487	5.5
93.03407	0.4
93.07043	3.8
95.04976	3.4
95.08634	3.3
97.06544	1.5
97.10157	0.5
103.05458	0.7
105.07042	3.9
107.04962	1.4
107.08601	3.7
109.02901	0.5
109.06546	0.9
109.10120	1.4
110.03707	0.8
111.04414	0.6
111.08004	0.4
115.05445	0.9
117.07002	2.3
119.04958	0.5
119.08600	3.4
121.06519	3.0
121.10133	1.4
121.10946	0.4
123.08043	0.9
125.06006	2.3
128.06227	1.6
129.07014	3.7
130.07503	0.4
131.04030	0.4
131.04916	1.8
131.08543	0.6
133.02852	0.6
133.06448	0.9
133.10149	1.2
135.04497	0.5
135.08067	1.5
135.11688	1.0
137.05965	0.6
138.03131	10.9
142.72856	0.5
145.06519	1.1
145.10143	3.5
147.04436	0.6
147.08028	2.1
149.05984	1.1
149.09715	0.6
149.13205	0.5
151.03958	0.4
151.07552	1.8
153.05475	100.0
154.05814	1.5
155.06027	0.4
155.08636	0.4
157.06544	2.2
157.10141	0.7
159.11716	0.6
161.05988	1.4
161.09555	0.5
163.07547	0.6
163.11188	1.5
166.06363	0.4
167.07162	0.5
169.10101	0.5
171.11745	0.7
173.06035	0.5
173.09583	0.4
173.13232	0.4
175.07550	3.1
177.05481	2.9
177.09242	0.4
179.07080	0.6
185.05975	1.0
189.12701	0.5
189.16422	0.4
191.07042	7.6
203.07047	8.2
203.14458	0.6
207.11797	0.4
209.09517	0.5
253.08569	0.4
265.08508	0.6
274.77863	0.3
279.21494	0.9
293.08200	0.5
297.22559	0.7
307.09628	0.6
311.09283	0.5
315.12314	0.5
325.10797	1.5
325.21671	0.9
343.11792	35.0
343.22672	3.4
344.12207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1177
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
53.03937	0.9
55.01865	1.0
55.05507	0.9
57.03427	0.5
57.07082	0.5
58.29440	0.3
65.03931	1.1
67.05508	2.7
69.03423	0.8
69.07059	0.9
69.21731	2.9
69.22145	0.4
70.06585	0.5
71.04978	1.4
79.05499	3.5
81.03416	0.5
81.07062	2.4
83.04990	0.7
83.08606	0.6
85.02898	1.2
85.06547	0.6
86.09721	2.6
87.10040	1.3
91.05482	5.0
93.07052	3.2
95.04980	2.7
95.08614	2.8
95.19553	0.3
97.02862	0.4
97.06516	0.9
97.10165	0.6
103.05468	0.9
105.07044	3.0
107.04948	1.3
107.08597	2.1
109.06535	0.8
109.10159	1.5
110.03629	1.8
115.05459	1.1
117.07021	2.0
119.04960	0.7
119.08591	2.8
121.06506	2.5
121.10142	1.3
123.08074	0.6
125.05990	2.5
128.06216	1.3
129.07022	3.4
131.04915	1.7
131.08571	0.9
132.10208	0.4
133.02876	0.6
133.06482	1.3
133.10092	0.7
135.08130	0.8
135.11700	0.8
137.05966	0.5
138.03136	11.5
141.07025	0.4
143.08614	0.5
145.06520	0.7
145.10089	2.2
147.04402	0.5
147.08051	2.2
147.11687	1.1
149.06012	1.1
149.09666	0.4
149.92632	0.3
151.03918	0.7
151.07539	0.9
153.05473	100.0
154.05827	1.4
157.06508	2.2
157.10092	0.6
159.08188	0.5
159.11693	0.6
161.05971	1.0
163.11185	1.3
165.05479	0.3
165.09090	0.5
169.10156	0.5
173.05994	0.8
175.07561	2.8
177.05476	3.3
179.07028	1.1
183.11630	0.4
185.06026	1.1
191.07031	7.7
197.13434	0.4
198.99048	0.3
203.07056	7.4
204.07816	0.4
209.09756	0.4
214.66112	0.4
221.15445	0.4
237.09081	0.4
265.08737	0.6
275.20151	0.5
279.21481	0.6
293.08118	0.5
297.11221	0.4
297.22464	0.5
315.12192	0.4
325.10825	1.8
325.21814	0.8
343.11789	33.5
343.22702	2.8
344.12070	0.9
369.21936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96533	1.5
63.23552	0.9
65.79385	1.1
69.90984	4.3
98.20766	1.0
98.97598	10.5
108.04433	1.0
116.98611	7.9
119.01892	2.1
134.99623	2.8
156.86548	1.0
162.75122	1.0
174.97734	1.5
176.97366	1.7
177.00980	5.5
177.40953	1.1
178.01068	1.2
192.98813	2.1
194.14066	1.0
194.98491	1.1
201.00966	1.3
216.98755	7.7
218.98624	2.7
219.01999	9.7
222.97734	1.1
234.96436	3.2
234.99901	15.8
236.00191	1.9
236.99467	4.9
240.98935	5.1
243.02098	1.7
252.97542	1.3
253.01009	3.2
258.97021	2.7
258.99969	36.4
260.00159	2.2
261.00342	1.0
261.03061	14.3
264.99075	3.1
273.98730	1.8
276.97614	7.2
277.01065	23.6
278.01218	3.1
283.00006	66.0
284.00238	5.7
294.98734	1.4
300.97678	9.6
301.01035	100.0
302.01144	8.7
318.98605	17.9
319.02225	5.5
319.98370	1.5
320.01929	1.1
324.02756	3.3
325.00989	12.7
326.01538	1.3
342.98856	3.2
343.02142	60.2
344.02084	5.6
360.99197	7.3
361.03519	14.7
366.03635	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1175
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
53.03955	0.7
55.01870	0.9
56.96548	0.4
62.62902	0.3
65.03947	0.7
67.05507	0.6
68.99779	0.4
69.07062	0.5
69.25464	3.2
79.05501	2.7
81.07026	0.7
84.96043	0.3
85.02911	0.9
91.05479	3.8
92.72212	0.3
93.07050	1.0
94.92670	0.4
95.04971	0.8
97.06553	0.4
98.97588	1.0
103.05489	0.7
105.07021	1.3
107.04948	0.9
107.08559	0.4
109.10116	0.3
110.03668	1.4
110.97602	0.4
111.04412	0.3
115.05453	0.7
116.98614	0.6
117.07045	1.6
119.04978	0.6
119.08591	1.0
121.06498	1.5
125.06025	2.0
128.06250	1.6
129.07016	2.9
131.04971	1.5
131.08568	0.7
133.06479	1.0
133.10095	0.5
137.05980	0.7
138.03127	11.7
145.06509	0.9
147.04451	0.6
147.08060	2.2
149.05992	1.7
153.05473	100.0
154.05840	1.4
157.06509	2.2
159.04497	0.4
159.36755	0.3
161.01251	0.3
161.06003	1.5
173.06065	0.4
175.07567	3.2
177.05455	2.9
179.07011	0.7
185.05977	1.0
188.04231	0.4
191.07040	7.8
191.10699	0.6
201.00691	0.5
203.07040	7.8
217.74835	0.3
219.01801	0.6
265.08688	0.4
281.08051	0.6
284.80600	0.3
293.07956	0.4
294.05652	1.8
294.55881	0.7
296.02921	0.3
297.07532	0.3
299.09091	0.8
301.10797	1.2
313.07196	1.2
315.12289	0.4
325.10718	1.2
343.11777	35.2
344.12064	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.7
57.03427	4.2
57.07079	15.1
58.07395	1.7
62.06100	2.9
67.05489	7.0
68.56106	1.6
69.07064	2.8
71.08635	10.6
71.29636	3.5
72.08161	3.3
79.05490	2.8
81.07059	10.4
83.08613	3.2
85.10178	3.6
86.10561	1.8
87.34256	1.7
91.05464	3.6
93.07033	3.1
95.04973	1.8
95.08617	9.3
96.08927	2.9
97.10162	2.9
105.07026	4.1
107.08601	7.1
109.10143	5.0
110.10559	1.8
119.08594	3.6
121.10108	2.9
123.08109	1.8
123.11698	2.3
130.84125	1.8
133.10158	4.8
135.11693	3.5
145.10088	2.7
151.11166	3.5
174.18576	3.1
230.24773	5.3
244.13950	2.0
275.20026	2.6
342.31149	18.3
342.37311	100.0
343.30051	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05371	9.1
50.38127	9.9
53.03947	11.7
55.01870	20.2
55.05512	50.8
57.03442	13.6
64.75433	8.3
66.87539	8.4
67.05512	97.6
69.07072	100.0
69.86823	23.5
69.87235	36.5
75.76117	9.1
79.01652	7.9
79.05513	81.3
81.07060	88.4
83.04964	11.5
83.08626	46.2
91.05489	55.2
93.07055	71.7
95.04950	23.9
95.08615	67.3
97.06541	20.6
97.10171	63.1
98.21518	10.2
105.07028	59.7
107.08596	75.6
108.48611	10.3
109.06564	16.0
109.10168	47.1
117.07020	11.8
119.08587	45.6
121.10156	39.0
125.09660	51.6
126.01322	10.1
128.88031	10.2
131.08566	24.9
133.10124	32.2
134.10472	12.2
135.08086	19.4
135.11717	12.6
137.09613	17.0
145.10155	29.8
147.11722	21.1
149.09665	15.2
153.09169	18.2
159.11736	17.1
173.11891	22.3
173.13287	11.5
177.12750	11.1
203.12778	53.4
205.44360	9.7
226.18251	10.8
257.19177	15.8
275.20026	53.7
289.21725	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01868	12.3
55.05265	4.1
55.05513	65.7
57.03429	6.8
59.04991	3.4
60.04517	4.9
67.05222	2.7
67.05510	27.9
69.03425	5.7
69.07069	41.0
69.07424	5.3
71.08035	4.7
79.05061	4.3
79.05496	48.0
81.07065	32.1
83.04982	6.6
83.08620	38.9
85.06541	2.9
88.07635	3.7
91.05473	21.4
93.07041	26.2
95.04964	6.1
95.08614	17.4
97.06525	7.8
97.10173	84.0
98.23945	2.3
105.07032	27.8
107.08599	96.6
109.06517	4.8
109.10154	4.3
111.08091	3.9
117.07015	8.4
119.08601	18.3
121.06511	4.4
121.10173	6.5
125.09634	84.6
126.09891	2.6
131.08572	8.4
133.10118	12.4
135.08060	19.3
135.11691	3.8
143.08572	3.3
145.10115	16.7
147.11682	11.2
149.09622	7.4
150.84187	2.6
153.09146	12.0
157.10178	4.8
157.12248	9.0
159.11720	10.8
161.13271	6.0
163.11223	6.3
166.28079	2.3
167.10820	3.0
171.10170	2.8
173.13271	6.6
175.14893	4.3
185.11729	3.4
185.13239	6.3
203.12779	100.0
203.14194	5.1
219.17529	4.3
235.16924	8.9
239.17995	6.4
257.19162	16.4
257.21512	3.4
275.20081	53.7
289.21649	22.9
307.22617	10.6
307.35269	2.4
309.71643	3.0
342.30209	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	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	18.1
55.05518	35.8
57.03422	14.1
57.07073	28.4
58.07411	4.3
67.05172	5.3
67.05508	80.2
69.03418	7.0
69.07066	22.4
71.04989	8.5
71.08646	16.8
71.56834	5.7
72.08970	4.8
79.05489	30.9
81.03426	6.6
81.07062	85.0
82.07358	3.5
83.04995	18.9
83.08617	18.9
85.06542	9.2
85.10169	10.7
91.05482	47.0
93.07040	40.0
95.04991	21.2
95.08620	47.2
97.06548	9.2
97.10155	7.7
99.08070	6.9
105.07043	51.0
107.04950	9.0
107.08602	48.9
109.06515	14.6
109.10163	65.4
111.04448	3.5
111.08076	6.7
115.05418	4.7
117.06999	8.5
119.08591	20.2
121.06512	5.1
121.10168	17.1
123.08080	11.5
123.11710	19.6
125.09618	18.8
131.08575	13.6
133.10143	100.0
135.11739	8.4
137.09627	14.5
145.10146	8.5
147.11662	10.8
149.09651	11.0
151.11195	90.3
161.09550	4.4
161.13170	3.6
163.11217	14.7
163.14719	4.4
163.91273	3.5
165.09196	6.4
165.12845	6.7
169.10037	4.5
173.13245	6.5
174.18533	4.1
177.12820	4.4
179.10701	9.8
183.13863	21.7
191.10643	4.5
195.13777	5.3
219.17220	3.5
247.20561	6.9
257.19031	7.6
275.20117	42.8
293.21133	12.7
307.22797	16.6
342.27075	6.4
342.30914	42.0
342.37271	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.4
55.01871	20.6
55.05507	16.8
57.03437	10.6
57.07077	9.3
65.91100	3.9
67.05171	6.3
67.05512	84.7
68.29372	3.6
69.03425	6.9
69.07085	27.1
71.04980	14.2
71.31003	8.1
79.05501	48.7
81.03429	12.9
81.07063	63.7
83.04990	11.6
83.08611	5.4
85.06551	9.0
85.99693	4.4
91.05488	56.3
93.07046	45.4
95.04975	24.8
95.08606	17.5
97.06538	94.5
99.04472	4.8
99.08122	4.6
105.07042	65.8
106.62782	4.7
107.04958	9.3
107.08604	51.6
109.06512	15.9
109.09474	7.6
109.10170	100.0
111.08086	22.1
113.06002	11.6
117.07043	11.6
117.38361	4.1
119.08576	14.9
121.06466	7.8
121.10127	6.1
123.08049	4.6
123.11698	15.8
127.07538	6.3
129.07011	5.9
129.40810	3.7
131.08577	16.0
133.10136	99.7
135.08040	4.9
135.11710	6.4
145.10196	6.3
151.11209	53.9
159.08070	5.4
161.09581	5.6
169.12254	10.2
170.72452	4.5
173.09692	4.5
173.13223	5.2
175.11240	6.9
176.00160	4.1
179.10693	4.5
191.10585	4.2
193.12318	5.1
202.89034	4.0
226.05916	4.4
240.23285	40.9
243.17581	5.0
261.18427	5.3
289.18011	22.5
307.19080	7.3
333.40964	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	342.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.6
57.03428	0.6
62.27626	0.6
65.73987	0.6
67.05513	4.4
69.07078	6.8
70.06600	1.0
71.01803	1.4
71.04997	1.0
72.08170	1.0
79.05491	2.6
81.07056	8.5
83.08633	1.5
84.04482	0.6
84.08150	1.0
85.06582	0.8
86.09711	100.0
87.10040	0.9
88.74848	0.6
91.05465	2.8
93.07059	2.9
93.46703	0.6
95.08614	2.5
97.02901	0.6
97.06524	1.1
105.07024	4.4
107.08604	1.0
109.10164	1.4
119.08577	3.5
121.10161	2.5
123.08022	1.0
123.11718	2.1
129.06943	0.8
132.10214	11.9
133.10167	1.0
145.05049	0.6
145.10182	0.8
147.11708	6.7
149.09608	0.9
153.05504	1.3
154.42747	0.6
159.11813	0.7
165.12796	1.8
177.05418	0.7
191.64813	0.7
193.52957	0.6
223.23683	0.6
250.21721	1.5
261.18646	1.3
278.21170	22.4
289.18057	0.7
296.22241	20.3
324.21671	2.4
326.49695	0.7
342.23483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41884	0.5
54.03468	0.7
55.05509	0.7
56.05030	2.0
66.61066	0.5
67.05510	0.7
69.03426	0.7
69.07079	2.7
69.79877	0.9
69.80291	2.0
70.06596	3.1
72.08167	3.0
73.09882	0.5
74.06075	1.2
78.47637	0.5
79.05502	0.7
80.05008	1.2
81.07064	1.0
82.02940	2.7
83.06107	1.1
84.04507	1.9
84.08134	1.0
85.02886	1.1
86.09711	4.4
87.04464	0.7
91.05477	0.7
93.07064	0.7
94.02917	1.3
95.08620	1.0
96.04488	0.7
96.08117	0.9
97.02934	0.7
97.07652	2.6
98.09676	0.7
98.21487	0.6
99.05581	6.0
102.05546	2.8
103.03940	0.7
105.07014	1.1
107.07349	0.9
107.08597	0.5
108.04483	2.2
110.07104	0.5
111.05574	23.6
115.08691	1.1
116.07088	1.0
120.06566	0.6
121.04012	0.8
121.06506	6.5
122.09657	4.9
125.07125	12.8
126.05531	4.9
127.05038	3.1
130.04939	0.6
133.23523	0.6
137.06027	0.9
138.09132	2.0
139.05029	36.9
139.12321	3.6
150.09152	6.6
152.10713	2.2
153.06610	3.6
162.02242	0.7
163.11174	0.5
167.11815	19.7
168.10199	1.7
170.02625	0.7
180.08044	0.6
180.10193	5.0
195.11302	100.0
196.09761	1.0
196.11548	1.2
212.09279	0.6
223.07202	0.7
223.10725	5.1
228.10284	0.7
251.07693	0.6
278.15015	1.5
279.13409	2.2
292.94461	0.6
296.16077	1.6
324.15533	20.7
325.16049	1.0
342.13705	1.1
342.18210	2.3
342.23532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95273	0.9
53.03942	5.2
55.01871	2.9
55.05508	2.5
57.03432	0.9
63.09320	0.8
63.13110	0.8
65.03947	1.5
67.05509	19.6
69.03430	1.5
69.07064	5.9
70.02961	7.3
70.06596	30.9
71.04998	1.5
71.55422	1.3
72.08160	1.8
74.02447	3.2
79.05496	14.9
80.05846	1.4
81.03424	10.7
81.07062	20.3
81.29592	1.0
82.07372	1.5
83.04987	5.6
83.08607	1.4
84.04483	2.0
84.08141	1.1
85.02916	1.5
85.06536	1.5
86.06032	1.2
86.09675	1.2
87.05608	8.6
88.03994	8.2
91.05476	9.5
93.07051	11.5
94.07413	1.6
95.01308	2.0
95.04967	11.0
95.08607	6.8
96.08936	1.5
97.02889	2.4
97.06541	5.3
102.83364	0.9
103.05475	1.1
105.07047	7.6
106.07349	1.5
107.04958	16.1
107.08602	6.7
108.08177	1.0
108.08939	1.5
109.02913	2.0
109.06547	4.5
109.10178	4.8
110.09698	1.6
110.10425	1.3
111.08102	2.0
114.05531	1.5
116.03437	1.3
116.06355	0.7
116.07100	21.5
117.07037	6.1
119.08575	6.8
121.06498	3.1
121.10157	13.6
123.08051	1.7
123.11726	2.6
127.03761	0.9
129.07043	5.2
130.07433	1.7
131.04948	3.1
131.08560	4.2
133.06070	11.1
133.10144	2.6
134.10521	1.3
135.08067	1.5
135.11668	5.9
137.06004	4.7
137.09654	1.2
138.06334	2.5
144.05597	1.1
145.06502	7.2
145.10123	13.1
147.04352	1.0
147.08023	1.4
147.11678	5.6
149.09636	3.5
150.09964	1.7
153.05539	1.0
153.07016	1.1
155.08571	9.2
158.07243	1.0
160.08423	1.3
161.06003	1.2
162.06439	1.5
163.11214	10.4
165.12755	2.2
167.07030	2.8
168.07301	2.0
173.09630	18.5
173.11020	1.6
177.05431	1.1
181.12155	1.3
187.07558	3.5
188.07928	3.7
191.10599	6.6
202.07661	1.0
209.11766	3.2
221.09428	1.2
222.09962	1.6
227.12842	4.8
235.07381	1.2
238.05910	1.0
250.09489	1.6
252.07378	1.3
263.98996	0.9
270.22977	1.2
278.09033	1.5
278.17465	4.7
279.17078	2.5
280.06778	1.0
280.15408	4.4
282.11990	3.8
288.24088	1.4
296.06293	1.0
306.16977	5.0
306.25085	7.5
307.16525	1.7
308.14957	1.2
310.11469	4.1
324.18069	100.0
325.14587	1.1
325.18219	1.9
342.07001	5.2
342.13974	8.0
343.12323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	46.3
55.42779	2.5
56.03014	2.6
57.07082	46.0
67.05514	21.8
69.07077	100.0
71.04987	4.5
71.08642	33.0
72.08147	2.6
79.05479	12.2
80.60806	2.3
81.06646	4.3
81.07068	49.1
83.04993	2.7
83.08627	66.2
85.06543	11.3
85.10185	18.9
91.05476	8.4
93.07076	22.9
95.04971	2.6
95.08064	3.3
95.08621	50.1
97.06532	10.1
97.10184	49.5
101.06030	2.2
103.44756	2.3
105.07030	18.2
107.08600	21.3
108.26622	2.6
109.06528	3.3
109.10171	26.8
111.08079	7.8
111.11745	33.5
113.09655	2.5
115.07555	6.6
119.08601	21.4
121.10170	19.3
123.08086	5.8
123.11707	16.1
125.09628	6.5
125.13315	12.8
127.07567	3.6
129.09129	6.9
131.08597	3.8
133.10155	16.9
135.11729	14.7
137.09657	4.6
137.13261	7.6
139.11227	5.1
139.14825	3.5
145.10124	6.8
147.11708	20.1
149.09694	3.0
149.13255	13.8
151.11186	9.8
153.12773	6.2
153.90625	2.5
155.10669	4.1
158.54306	2.7
159.11693	2.7
161.13274	13.3
163.14879	4.3
165.12761	8.7
167.14323	4.5
169.12259	3.8
175.14832	10.6
179.14296	16.4
181.15932	3.7
191.17944	6.9
191.78445	2.5
193.15895	6.0
197.15402	6.2
199.16924	2.8
203.17972	4.2
205.19559	3.1
207.17424	3.9
214.50885	2.9
217.19446	3.4
221.18823	3.0
263.27383	7.5
287.27252	5.5
305.28424	7.6
323.26862	3.1
342.37357	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.3
55.05515	19.6
55.57810	2.6
57.03426	9.6
57.07080	34.3
60.08147	4.8
61.88502	3.1
62.83298	2.6
67.05504	32.3
69.07079	31.6
69.58469	19.9
71.08631	22.9
71.31734	3.4
72.37920	3.2
79.05490	18.7
81.07060	55.3
83.08632	15.2
85.06531	4.4
85.10177	11.0
90.70927	3.2
91.05484	20.0
93.07047	41.8
95.04957	3.5
95.08614	61.2
96.08994	2.6
97.10164	10.7
103.08716	19.5
105.07050	42.8
107.08604	55.4
109.06509	2.8
109.10161	47.0
111.08114	2.7
111.11741	5.4
115.63411	2.6
117.06994	7.7
119.07793	5.2
119.08589	70.4
121.10150	38.4
123.11681	21.3
124.40062	2.5
128.06279	2.9
129.07025	5.8
130.07826	2.5
131.08598	34.2
133.10139	35.9
135.11705	28.1
137.13274	8.7
142.07742	4.7
143.08553	19.9
145.10133	58.4
147.11659	28.8
148.08354	3.0
149.13283	12.8
151.14867	3.3
153.12762	3.1
155.08542	4.7
156.09357	5.0
157.10158	19.6
158.10973	4.5
159.11697	46.2
161.13257	48.8
163.14812	12.9
169.10109	11.0
171.11731	20.3
172.12462	4.7
173.13303	23.7
175.14810	26.2
179.14328	5.6
183.11656	11.4
185.13367	15.4
187.14833	97.1
189.16389	32.8
197.13280	10.7
199.14809	12.7
201.16386	39.2
203.17978	5.8
211.14857	9.1
213.16414	24.3
215.17921	8.8
223.28009	3.7
225.16400	6.6
227.17880	14.7
229.19490	4.7
231.17412	6.5
237.16339	3.1
239.17944	11.6
241.19681	2.9
253.19543	17.5
267.21121	9.1
281.22757	4.9
283.27664	3.0
294.23199	4.1
296.25803	4.9
299.72995	3.4
323.27362	100.0
332.20065	3.3
341.28375	61.0
341.30542	30.0
341.39667	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.2
57.07070	7.3
60.19893	2.5
63.16267	2.0
65.03903	2.3
67.05504	22.1
69.07080	16.0
69.42732	5.2
69.43123	18.1
71.04996	6.5
79.05506	17.3
81.07061	42.2
83.04952	3.4
83.08590	6.4
85.06540	9.5
91.05464	19.2
92.76040	2.3
93.07046	34.1
95.08614	44.4
97.10178	5.4
103.48088	2.5
105.07037	30.9
106.30861	2.8
107.08608	43.5
109.06506	3.6
109.10168	30.7
111.08083	5.2
113.09644	6.4
117.07000	10.9
119.08592	40.1
121.10159	33.1
123.11722	18.2
125.09608	2.7
129.06976	7.0
131.08580	24.2
133.10120	28.1
135.11740	26.0
137.09639	3.3
137.13239	6.7
142.07654	2.4
143.08562	15.8
144.09390	3.5
145.10133	45.9
147.11691	20.7
149.13278	8.3
150.41127	2.4
155.08569	4.2
156.09372	3.9
157.10170	16.6
158.10823	3.6
159.11711	35.0
161.13278	28.8
162.08641	2.6
163.14854	6.3
169.10150	7.1
170.10872	2.4
171.11659	15.2
173.13287	27.3
175.14859	19.1
177.16362	4.4
183.11745	7.3
185.13365	13.9
187.14836	45.9
189.16405	19.6
191.17897	6.6
197.13254	11.0
199.14830	12.1
201.16396	22.1
203.14355	2.8
203.17979	7.3
211.14752	6.7
213.16403	15.5
215.17961	6.9
219.17506	2.9
225.16324	7.0
227.17992	12.9
227.73860	2.6
229.19499	10.6
231.17424	4.0
239.17896	6.6
253.19472	9.6
267.21115	6.6
281.22678	4.4
283.24185	8.8
285.22122	2.5
297.25684	3.0
323.23615	4.4
323.27325	62.4
341.21246	5.7
341.24973	5.1
341.28369	100.0
342.37415	11.5
345.95313	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24776	0.3
55.91202	0.2
70.92505	0.4
70.92816	0.4
72.08147	0.3
85.02896	0.7
89.03924	0.5
105.03395	0.9
112.63637	0.3
117.03361	0.4
123.04432	12.7
133.02861	10.7
135.04422	1.8
151.03914	3.5
179.03404	100.0
180.03738	0.8
185.10934	0.3
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
53.03929	3.8
55.01878	2.9
55.05522	4.5
60.13921	1.7
66.11073	1.7
67.05504	11.2
68.18524	1.9
69.03412	5.2
69.07066	6.9
70.06586	2.8
70.73875	3.4
72.08124	2.2
79.05503	21.4
81.07059	18.1
83.05003	3.7
83.08603	3.4
84.08154	2.3
85.06560	2.6
86.09718	1.7
86.72497	1.7
88.93193	1.6
91.05470	16.2
93.07050	9.5
95.04978	10.0
95.08600	10.4
97.02900	2.3
97.06532	3.4
103.05501	8.6
105.07041	27.7
106.04153	2.8
107.04963	29.9
107.08602	7.2
109.06502	3.7
109.10181	8.8
111.04423	2.5
115.05460	8.5
116.06240	2.7
117.07059	3.0
119.04939	4.3
119.08585	7.6
121.06499	4.3
121.10133	4.9
122.03654	3.8
123.04433	7.7
123.11743	2.2
124.05194	4.2
125.05960	2.7
128.06256	11.9
129.07014	63.1
131.04959	5.8
131.08591	6.1
132.05717	2.8
133.02829	4.9
133.06519	14.3
133.10136	3.0
135.04401	3.4
135.11720	3.1
137.05978	25.2
141.06992	4.3
144.05722	9.8
145.06506	7.8
145.10146	2.1
147.04425	5.5
147.08127	2.6
150.06842	2.1
151.03931	4.9
151.07518	2.9
152.04753	4.2
153.05464	9.9
155.04965	11.0
155.07079	2.6
156.05693	3.7
157.06505	2.7
159.08061	30.4
159.11742	2.5
161.05998	30.4
161.09610	5.0
162.06735	4.7
163.03900	4.0
163.07602	2.6
165.05614	2.7
165.06993	5.6
167.07059	68.8
169.06470	3.0
172.05215	6.5
175.07542	9.1
177.05443	5.9
178.07779	16.8
179.07092	2.8
181.06499	4.3
182.05051	3.4
187.07565	100.0
188.08128	2.0
189.07111	9.4
189.09061	9.2
190.07751	5.8
191.07066	2.8
191.08595	10.5
192.09187	2.1
193.10161	6.0
195.08125	5.8
201.05351	2.8
201.09137	2.6
202.07813	17.4
203.08578	18.3
205.06442	12.6
206.07314	22.0
207.08043	6.9
208.02805	3.2
209.09729	2.8
217.06532	9.2
217.08398	2.3
218.07310	6.7
219.08067	15.7
220.08891	10.7
221.06192	2.2
221.09634	35.4
222.06851	3.2
223.07561	7.1
231.07986	13.3
233.05998	5.8
234.06810	27.3
235.07518	14.9
235.10957	2.0
236.08279	2.0
237.09103	6.3
238.06262	3.2
238.09781	2.4
239.07042	2.8
245.06001	4.1
247.07597	8.8
248.08272	10.1
249.09129	51.1
250.09888	6.8
251.07072	19.1
251.09756	2.0
251.10638	1.9
252.07880	2.2
259.07693	2.9
261.05554	2.6
262.06265	7.3
263.07156	5.3
263.10687	4.3
264.07825	3.2
265.08609	12.8
266.09479	17.1
267.10138	3.4
276.07800	6.2
276.75406	1.9
277.08618	26.0
278.09235	5.5
279.06567	10.7
279.09848	3.1
280.07291	2.1
280.10962	3.1
281.08533	4.1
281.11728	79.0
282.12149	2.8
283.09512	5.2
291.10217	11.5
293.08026	5.2
294.08865	14.6
295.09821	9.3
297.11084	2.1
305.24832	2.5
309.11234	95.3
310.11703	8.8
311.09213	16.9
311.12619	2.5
323.12885	4.1
326.11557	10.2
341.10596	4.5
341.13852	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	AESCULIN
Peak:m/z	Relative Intensity
52.47814	0.2
55.22544	0.2
61.02925	0.4
62.88980	0.2
66.39355	0.2
69.03423	0.6
69.05840	0.2
69.31411	0.3
70.91755	0.5
72.08153	0.3
77.03933	0.3
81.03411	0.3
85.02917	1.7
89.03938	0.5
95.04974	0.3
97.02898	0.6
105.03400	0.6
109.02876	0.3
117.03381	0.4
123.04442	10.2
127.03870	0.2
133.02869	8.8
135.04431	1.8
151.03943	3.3
163.75803	0.2
179.03410	100.0
180.03758	0.8
187.48341	0.2
191.07024	0.4
191.08633	0.3
191.93971	0.2
198.84967	0.2
208.30486	0.2
236.10739	0.3
253.13319	0.5
266.57446	0.2
295.14490	0.3
341.08643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	56.8
57.03443	18.3
57.07072	14.9
67.05511	77.3
69.03407	9.8
69.07056	43.5
70.06591	11.3
70.07397	9.6
71.56279	12.9
72.08153	95.3
79.05498	37.3
81.07069	100.0
83.04971	80.1
83.08609	40.6
91.05476	55.4
93.07032	49.8
95.04935	12.8
95.08620	47.5
96.08948	13.6
97.10150	15.3
101.00827	10.4
105.07038	39.9
105.07691	9.5
107.08613	29.4
109.06509	16.3
109.10162	48.3
118.83453	11.2
119.08613	14.3
121.10128	18.4
123.11674	17.2
132.08916	10.4
133.10144	84.5
135.11713	11.3
145.10159	13.1
149.02368	13.7
151.11172	79.8
179.10730	12.4
183.13780	21.1
224.25737	11.9
231.82552	11.4
243.11948	10.0
273.18539	14.1
310.41418	12.1
339.77637	12.9
340.28964	48.1
340.35577	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	340.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12436	1.4
55.01882	1.4
55.05510	5.3
56.09108	1.4
57.03433	2.3
57.07069	3.5
62.06092	100.0
67.05508	28.8
68.05827	2.7
69.07059	9.6
69.36143	13.5
71.04996	2.2
71.08636	21.2
79.05494	13.5
80.05830	3.2
81.07059	33.2
82.07386	5.8
83.04988	2.2
83.08607	5.9
91.04989	1.7
91.05463	9.3
93.07050	15.5
94.07384	5.3
94.59744	1.6
95.04944	1.8
95.08611	22.3
96.08951	4.8
97.06512	4.4
97.10197	2.6
98.06067	2.7
99.08098	13.4
105.07038	9.2
106.07388	2.6
107.08585	11.1
108.08913	4.1
109.06558	3.2
109.10164	7.0
110.10502	3.5
117.06986	2.4
119.08601	6.3
120.08913	2.2
121.10141	7.0
122.10537	1.7
123.11699	3.4
127.11129	1.7
129.06955	1.9
131.08577	3.7
132.08931	2.0
133.10138	4.4
134.06892	1.5
134.10490	1.9
135.11676	5.3
136.12065	1.9
137.05968	4.6
137.13251	2.4
145.10149	4.8
146.10442	2.1
147.11667	8.8
148.12030	2.0
150.13634	2.1
156.03638	1.9
159.11685	2.9
160.12001	1.9
163.14806	3.0
167.14262	2.0
173.13292	2.5
187.22076	1.6
191.10660	3.0
220.21504	1.7
224.20110	3.9
230.19879	2.4
242.21187	9.1
243.21274	1.8
247.20612	2.7
248.20845	13.2
279.23196	5.2
290.18344	1.8
322.27423	73.7
323.25867	7.0
335.20758	1.9
340.28677	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2894
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03940	2.0
53.98014	0.8
55.05516	39.3
57.03191	1.3
57.03444	20.2
57.06830	1.1
57.07082	18.5
65.03937	1.2
67.05511	26.5
67.05873	1.3
69.03423	1.0
69.07073	52.2
70.96468	1.9
71.04987	1.2
71.08634	8.7
79.05497	12.6
80.00218	0.8
80.02247	0.8
81.07065	29.5
83.04974	2.0
83.08143	1.6
83.08627	31.6
85.06569	1.7
85.10170	4.6
85.97096	0.8
91.05506	2.9
93.07044	14.9
95.08614	28.4
97.06515	5.2
97.10179	21.1
99.08095	1.1
100.01039	0.9
105.07039	1.0
107.08591	11.5
109.10164	11.8
111.08101	3.5
111.11726	6.7
113.09625	0.9
119.08580	2.2
121.10146	13.5
121.47008	0.9
123.11719	3.6
125.09637	3.2
125.13226	0.8
130.23135	0.9
135.11697	12.6
139.11191	1.6
143.96486	0.8
149.13290	5.9
151.14857	1.8
153.12762	1.7
163.14861	2.0
165.16473	1.4
177.16446	1.7
227.32211	0.9
247.24216	3.9
265.25351	5.0
294.29004	0.8
339.29010	100.0
340.29431	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.05512	17.9
57.03427	7.2
57.07064	7.7
62.43452	1.6
63.60768	1.7
65.03931	4.8
67.05505	85.6
67.22074	1.8
68.33927	1.5
69.03411	1.8
69.07077	16.2
70.06596	2.3
70.26865	1.6
71.04984	3.7
71.08617	2.2
71.55341	2.5
73.61771	1.9
75.04442	2.2
79.05069	2.8
79.05496	44.7
81.03399	2.4
81.07059	100.0
83.04981	3.4
83.08607	7.9
85.06547	4.2
91.05483	26.3
93.06473	3.2
93.07045	58.4
94.20135	2.0
95.04959	4.8
95.08607	86.5
96.04472	4.1
97.06525	7.0
97.10174	8.2
97.30145	1.6
99.08057	2.9
105.07032	25.0
107.08598	42.4
109.06509	8.4
109.10160	50.5
111.08138	1.6
117.07012	8.2
119.08575	21.3
121.10148	45.8
123.08067	4.4
123.11712	18.2
125.09620	3.9
129.07037	3.0
129.35901	1.7
131.08575	19.7
133.10136	24.3
135.11703	30.3
137.09538	2.0
137.13249	4.6
139.11159	3.4
143.08582	1.9
145.10139	21.9
147.11681	21.5
149.09581	3.1
149.13261	19.2
151.11189	4.0
155.08496	2.2
157.10109	3.0
159.11691	20.5
161.13287	4.5
163.14835	6.1
165.12689	2.2
173.13307	11.6
175.11153	3.8
175.14922	1.9
177.05589	2.3
183.11722	2.0
187.14799	4.9
201.16373	2.9
216.61369	1.7
219.21109	3.8
229.12132	2.1
229.19551	22.6
247.20584	84.3
248.20886	2.0
259.98828	1.8
265.21606	6.5
283.16946	22.7
284.17029	1.9
306.30872	1.7
321.24246	10.2
339.25485	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03952	3.0
55.01877	3.6
55.05517	17.9
57.03430	6.2
57.07071	3.9
62.06086	8.3
65.03930	3.3
67.05509	97.3
68.99765	2.4
69.03414	2.1
69.07078	18.6
70.19334	7.2
71.04966	3.3
71.08613	3.6
79.05497	58.6
81.03412	5.0
81.07062	100.0
83.04982	8.1
83.08619	10.3
85.06532	5.8
91.05479	32.5
93.07049	76.2
93.07631	4.5
95.04990	9.5
95.08612	91.7
97.06542	21.8
97.10142	6.8
98.20837	3.3
99.08117	3.3
105.07037	34.2
107.04947	5.0
107.08602	56.1
109.06516	7.0
109.10161	57.7
109.10909	2.8
111.04452	3.1
111.08082	5.2
113.05996	2.0
117.07006	17.1
119.08584	27.5
121.06516	2.2
121.10146	47.6
123.08078	3.7
123.11706	16.7
125.09685	2.8
127.07519	2.0
129.06969	2.0
131.08582	27.4
133.06471	3.8
133.10132	24.7
135.08101	3.7
135.11708	37.3
137.05962	5.5
137.09602	6.3
137.13249	5.0
143.08554	4.8
145.10143	28.4
147.11676	17.0
149.09683	3.4
149.13264	21.0
151.11145	11.4
159.08070	3.5
159.11697	24.1
160.22104	2.2
161.13286	6.8
163.07535	2.3
163.11235	3.1
163.14828	7.7
165.12837	2.5
171.11658	3.4
173.13280	18.2
175.14922	3.3
177.09117	3.7
177.12700	2.1
187.14870	6.0
189.09158	3.3
192.11232	1.9
201.16386	3.7
215.43011	2.0
219.21123	6.1
221.11772	2.0
229.19511	27.8
247.20592	96.3
248.20900	2.8
265.21539	4.0
271.17038	2.2
289.18005	8.8
307.19098	4.2
321.24246	7.3
322.27350	9.6
339.18784	4.5
339.25400	19.9
340.28543	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	339.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	2.1
53.03944	4.4
55.01870	2.2
55.05505	20.4
57.03436	6.7
57.07069	7.1
65.03938	2.7
67.05506	93.4
69.07063	18.5
69.60353	12.2
70.06584	2.1
71.04984	4.8
72.08154	2.4
75.29490	1.5
79.05493	58.7
79.54880	1.6
81.03400	3.8
81.07056	100.0
81.59151	1.5
83.04984	3.3
83.08614	9.7
85.02924	2.5
85.06542	3.9
91.05486	29.6
93.07045	77.3
95.04961	5.9
95.08608	84.7
97.06529	6.8
97.10172	6.3
98.21542	3.5
99.08100	3.6
105.07034	33.0
107.08595	54.9
109.06487	3.6
109.10162	53.0
111.04437	1.8
111.08083	6.1
117.07021	12.5
119.08580	24.9
121.10154	48.0
123.08115	2.3
123.11712	19.6
125.09611	3.5
129.07004	2.9
130.07788	1.8
131.08583	26.8
133.10124	23.2
135.08130	1.9
135.11690	32.7
137.05991	1.8
137.09634	2.6
137.13251	5.8
139.11160	2.6
145.10106	28.4
147.11682	22.6
149.09621	3.6
149.13271	20.7
151.11217	3.0
157.10182	2.2
159.11700	23.0
161.13214	8.2
163.11140	2.4
163.14868	5.7
165.12767	2.2
171.11641	2.5
173.13275	19.0
173.68674	1.8
175.11137	2.4
177.12677	2.0
183.11768	2.7
187.14832	6.7
201.16386	1.8
203.18100	1.8
219.21114	5.4
229.19487	32.0
247.20578	98.5
265.21652	4.4
268.94342	1.8
274.61514	2.1
275.20056	5.5
283.16928	13.8
289.21805	2.3
313.54950	1.7
321.24338	6.8
339.18756	2.8
339.25565	18.5
344.98840	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.59348	1.3
53.03958	4.0
55.05517	21.2
57.03439	10.3
57.07068	3.9
65.03951	3.0
67.05511	99.8
69.03432	3.2
69.06792	1.3
69.07082	16.8
69.99448	4.6
71.04992	2.4
73.37107	1.3
77.03924	2.0
79.05500	48.4
81.03421	1.8
81.07065	100.0
83.04994	3.0
83.08644	8.1
85.06555	3.9
86.09721	17.1
87.10039	6.2
87.11629	1.4
91.05493	23.7
93.07053	63.9
95.04967	5.4
95.08616	98.3
97.06540	6.2
97.10171	6.2
99.08104	2.7
105.07040	23.2
107.04897	1.6
107.08604	42.8
109.06519	4.4
109.10167	55.9
111.08077	2.3
117.07028	8.8
119.08595	20.9
121.09309	3.0
121.10152	43.2
123.11727	20.5
125.09633	3.7
129.07016	2.5
131.08580	24.5
133.10139	19.3
134.10449	1.7
135.11705	31.9
137.09622	3.0
137.13264	6.2
139.11185	2.6
145.10129	21.0
146.11807	3.8
147.11691	14.3
149.09602	2.3
149.13277	19.8
151.11200	6.7
152.11514	3.3
159.11710	19.3
161.13275	4.8
163.14804	7.3
165.12778	2.2
173.13254	12.4
187.14815	4.9
191.14323	1.6
201.16476	1.9
203.18102	1.5
205.15817	2.1
219.21048	4.7
229.19525	28.3
247.20587	84.6
265.21622	7.3
273.95895	1.7
279.21542	8.0
283.16934	2.8
312.76135	1.6
321.20883	2.2
321.24301	9.8
339.12320	1.5
339.25449	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01873	4.2
55.05514	18.3
56.05039	2.4
57.03440	4.3
57.07097	3.7
58.90266	1.4
65.03935	3.1
67.05507	22.8
69.03436	11.6
69.07072	22.6
69.56392	1.5
70.06596	2.5
71.04995	3.9
71.08638	2.4
71.44723	1.8
72.08145	2.4
79.05489	18.9
81.03422	21.5
81.07061	55.9
83.04981	5.8
83.06112	10.7
83.08625	7.4
84.04509	34.4
85.02920	5.3
85.06557	4.9
89.03922	6.4
91.05476	16.4
93.07041	27.2
94.06552	1.7
95.04975	6.5
95.08610	42.4
97.02925	7.4
97.06540	6.3
97.10183	19.1
99.08094	4.3
100.11278	4.8
101.07143	3.0
103.05491	2.4
105.07029	23.6
107.04944	3.0
107.08601	24.6
109.02887	9.6
109.06506	6.7
109.10163	26.9
111.08092	4.3
111.11719	2.0
115.05480	2.0
115.63285	1.4
117.03387	27.8
117.07005	2.7
119.04922	3.7
119.08593	20.3
121.06557	2.0
121.10140	12.1
123.04400	1.8
123.08092	3.8
123.11716	19.9
125.06007	3.7
125.09657	6.8
127.03918	5.8
127.07577	1.8
129.06589	8.0
130.05022	3.9
131.08578	6.8
133.06567	1.8
133.07744	1.5
133.10149	13.5
135.08044	3.7
135.11707	14.3
137.06003	6.7
137.09598	4.4
137.13277	4.1
139.11179	3.2
143.08597	2.5
143.10693	6.9
145.02847	56.0
145.10164	6.0
147.08017	3.2
147.11696	26.0
149.05994	9.5
149.09613	2.8
149.13275	6.7
151.07552	2.7
151.11230	3.6
153.09123	2.2
153.12738	4.4
157.10156	3.5
159.08018	2.2
159.11673	5.6
161.06056	2.7
161.09631	3.2
161.13255	4.8
163.03906	1.7
163.11185	2.3
163.14819	3.3
165.06851	2.0
165.09174	6.4
165.12755	11.4
171.11781	3.4
173.13266	4.8
175.03891	1.8
175.14827	4.9
177.05486	100.0
177.16432	2.3
178.05869	2.1
179.10579	2.0
182.15451	9.4
185.13338	2.3
189.07077	1.8
190.07806	2.2
191.08519	2.8
193.12213	2.4
195.06519	2.8
195.08115	1.9
201.16353	1.8
203.08676	2.1
205.06470	2.5
207.06427	3.4
207.08156	1.8
208.08769	1.8
210.14917	19.4
211.15047	1.9
218.07309	3.2
219.08052	6.1
221.06003	2.6
221.09462	1.9
228.15894	4.4
229.08742	1.7
235.07489	6.0
235.17047	3.2
236.08365	4.8
237.09056	1.6
246.06923	2.0
247.07613	5.3
249.05978	1.4
249.08928	2.7
251.07028	1.9
251.10617	3.5
257.22653	4.8
263.07028	5.2
264.07800	6.2
265.08737	2.9
275.23837	3.6
277.08481	3.7
279.10236	6.9
281.08057	2.9
285.22113	6.3
292.07288	2.9
293.18723	2.0
295.09637	2.0
303.17001	1.6
303.23181	13.5
307.09598	10.5
308.10260	2.7
311.09387	1.8
311.12756	9.2
321.09723	13.7
321.18036	5.5
321.24142	11.0
339.08588	4.0
339.12350	34.2
340.12656	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	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.4
55.01874	36.1
55.05511	39.3
57.03443	41.0
57.07080	6.4
65.03957	5.9
67.05170	7.0
67.05509	86.2
68.05850	3.5
69.03453	3.6
69.07067	29.7
69.82496	3.4
70.06592	7.7
70.16487	9.2
70.16882	7.3
71.04984	8.0
79.05499	82.7
81.03423	13.7
81.07063	87.6
83.04982	37.7
83.08646	15.9
85.06560	10.6
90.16854	3.6
91.05485	75.9
93.07056	67.0
95.04973	90.0
95.08599	42.6
96.05719	3.9
97.02905	10.5
97.06541	12.0
97.10184	9.1
98.07364	6.8
100.08872	3.8
103.05463	6.9
105.07042	67.1
107.04962	99.7
107.08601	32.8
108.05775	7.8
109.06541	47.0
109.10142	23.6
110.07327	3.8
111.04449	9.0
111.08115	8.4
112.05199	15.9
113.06039	9.1
115.05449	5.0
117.07026	37.5
119.04913	5.6
119.08593	39.7
121.06548	23.0
121.10147	14.8
122.07303	22.9
123.04433	11.1
123.08083	10.3
123.11745	6.1
125.06035	8.8
128.06161	7.5
129.07008	21.6
131.08574	48.0
133.06494	20.8
133.10118	24.8
135.08057	26.1
135.11726	17.3
137.05945	4.7
137.09616	11.2
141.06998	5.9
143.08578	16.2
145.06506	17.1
145.10126	27.4
147.08055	35.7
147.11685	6.2
149.02385	7.9
149.09636	7.0
149.13335	6.9
151.07571	7.8
152.08130	3.2
155.08510	4.7
157.10191	4.4
159.08055	9.3
159.11737	13.3
160.04860	3.3
161.09642	25.2
161.13315	7.3
162.10408	6.7
163.11209	11.2
165.09091	15.6
169.10185	10.3
171.11703	9.5
173.13281	14.5
175.11153	4.8
177.12764	8.6
187.11218	4.7
187.14856	13.1
189.12790	8.9
193.04976	11.6
197.13281	9.9
203.70195	3.2
205.12193	4.9
205.15903	12.3
215.14334	14.4
217.15767	5.2
224.65683	5.7
233.15353	100.0
265.17984	43.4
273.18585	21.5
289.17960	4.1
290.18771	10.3
305.21109	12.4
339.27582	29.6
339.77890	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	339.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	21.2
55.01851	9.9
55.05271	3.5
55.05514	43.9
57.03438	17.0
57.07071	10.2
62.97411	3.3
65.03965	5.3
67.05186	4.7
67.05510	71.0
69.03407	9.7
69.07068	15.6
69.51427	23.8
71.04995	34.6
71.08623	4.2
73.06532	4.4
79.05069	5.5
79.05495	77.9
80.25044	3.2
81.03416	47.1
81.07059	100.0
83.04990	44.2
83.08611	11.5
85.06523	12.8
87.04479	4.1
89.16454	3.3
91.04961	5.4
91.05477	54.8
93.06483	4.5
93.07049	80.3
95.04974	31.7
95.08605	47.1
97.06509	10.4
97.10146	4.8
98.21514	5.9
99.04455	6.5
99.08110	5.1
101.05978	5.6
105.07035	46.9
107.04959	34.9
107.08593	24.2
109.06513	41.4
109.10150	14.0
111.04449	6.3
111.08067	9.3
113.06056	4.3
113.29865	3.0
117.07027	23.5
119.08582	30.4
121.06492	16.7
121.10117	16.6
123.04401	4.0
123.08088	17.3
123.11687	4.0
125.05999	6.0
128.06226	5.4
129.07025	20.9
131.08591	27.3
133.06485	11.6
133.10117	25.3
135.08029	14.6
135.11668	14.0
137.09587	5.9
141.06978	8.0
142.07854	3.4
143.08531	9.0
145.06474	9.9
145.10135	20.9
147.08061	10.8
147.11661	12.6
149.02353	12.8
149.09665	15.5
149.13237	13.3
151.07539	7.0
154.07834	3.8
155.08571	10.5
157.10126	11.1
159.08073	16.9
159.11696	23.0
161.09647	16.3
161.13165	5.6
163.07466	6.1
163.11235	8.9
169.10059	12.6
170.23882	3.4
171.11653	17.4
173.09679	8.1
173.13245	10.7
175.11185	10.4
177.05574	3.3
177.09038	4.7
177.12735	13.9
179.14308	3.2
183.10219	6.7
183.11641	4.6
185.13312	5.1
187.11174	10.0
189.12808	9.3
191.14282	5.2
193.04933	22.3
199.11128	6.4
201.12744	6.1
207.13773	16.2
209.15288	5.1
215.14346	7.8
217.12161	8.6
219.13853	8.4
224.65610	14.8
225.16228	3.7
233.11877	4.3
233.15350	14.7
237.14882	11.8
243.17409	9.4
253.15857	6.0
256.26407	7.7
261.18500	11.1
263.16379	6.4
271.16907	36.8
289.17999	72.5
303.19534	32.6
321.20486	24.9
339.18198	4.6
339.21927	19.2
339.27661	50.3
339.77771	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	339.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	18.6
53.08452	2.2
53.95744	2.1
55.01865	11.3
55.05513	36.6
57.03448	13.5
65.03963	3.9
67.05173	3.8
67.05511	67.9
69.03431	6.8
69.07069	17.0
70.68395	7.0
71.05001	32.4
73.06565	3.4
79.05502	46.9
81.03426	34.3
81.07066	67.6
83.04987	69.6
83.08614	10.9
85.06557	8.1
91.05489	49.4
93.07052	53.2
95.04984	21.1
95.08612	39.6
97.02912	2.6
97.06511	13.8
97.10183	3.6
99.04440	6.1
101.05989	4.0
103.05495	4.4
105.07047	35.6
105.92181	2.3
107.04959	31.4
107.08629	21.7
109.06523	17.2
109.10170	12.6
111.04413	6.9
111.08096	8.7
111.40775	2.7
113.06032	3.1
115.05479	4.5
117.07033	19.2
119.04971	4.6
119.08589	18.7
121.06515	11.3
121.10152	12.4
123.04436	7.7
123.08075	13.4
123.11755	3.2
125.05983	12.3
129.07024	17.3
131.08568	24.7
133.06490	11.2
133.10152	20.3
135.08073	8.4
135.11705	15.1
137.05986	5.6
137.09645	5.6
141.06985	5.9
143.08588	12.3
145.06506	6.6
145.10130	16.2
147.08026	9.1
147.11739	12.9
149.05983	3.9
149.09630	7.1
149.13263	7.2
151.07535	6.7
151.11168	5.5
155.08575	2.7
157.10110	10.5
159.08069	13.9
159.11690	13.8
161.09634	11.1
161.13295	6.2
163.07533	7.3
163.11223	15.8
169.10126	8.4
171.11690	10.9
173.09621	5.7
173.13249	7.4
175.11191	3.9
177.09119	6.3
177.12762	13.3
183.10173	6.2
183.11705	5.1
185.13293	3.7
187.11183	7.3
187.14821	4.3
189.12730	9.0
191.14328	4.9
199.11179	3.6
201.12773	5.3
203.14302	3.1
205.12212	3.5
205.15915	5.8
207.13852	7.9
215.14424	6.6
217.12289	7.1
219.13857	5.9
225.16571	3.3
229.12254	2.8
233.15367	17.9
237.14830	5.5
243.17441	7.2
253.16083	5.5
261.18564	18.4
271.16913	17.5
289.08237	2.7
289.17999	100.0
289.21277	4.8
290.18384	3.6
303.19696	13.4
321.20709	25.0
339.21744	10.1
339.27853	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	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.6
55.01852	6.5
55.05512	15.6
55.23811	2.5
57.03444	16.0
57.07079	3.7
65.03910	3.1
67.05231	3.4
67.05516	35.3
69.03423	8.9
69.07067	8.5
70.65134	8.7
70.65528	5.2
71.05001	7.0
72.45446	3.1
77.03816	3.2
79.05493	50.3
81.03429	27.1
81.07062	100.0
83.04988	30.1
83.08612	8.5
83.52187	2.8
85.06543	6.3
91.05483	26.5
93.07053	43.2
95.04988	13.9
95.08624	33.7
97.06519	12.7
97.10136	4.6
105.07056	19.6
107.04964	36.4
107.08578	24.3
108.11775	3.8
109.02794	4.0
109.06533	42.5
109.10154	12.3
111.04446	25.0
111.08102	9.2
117.07027	9.7
119.04931	4.9
119.08587	20.2
121.06520	7.7
121.10145	8.2
123.04444	8.5
123.08068	10.6
125.09628	5.6
127.04002	3.0
129.07007	4.0
131.08562	16.9
133.06496	4.3
133.10138	17.8
135.08054	7.5
135.11722	17.9
137.09607	5.8
141.06955	4.5
143.08548	4.4
145.06454	8.0
145.10115	9.6
147.08035	6.2
147.11630	8.1
149.06061	3.6
149.09561	4.4
149.13243	12.6
151.07497	4.8
153.09099	3.4
155.08521	5.8
159.08029	9.1
159.11705	21.7
161.09627	10.9
161.13248	3.2
163.07597	7.4
163.11171	6.9
169.10107	9.4
171.11755	4.0
177.12782	22.6
183.11725	5.4
187.11166	19.3
189.12813	3.5
195.13789	4.7
205.12260	7.9
209.15337	8.2
215.14412	4.7
223.13266	3.9
233.15340	9.1
239.45131	3.3
241.14439	4.9
243.17517	6.2
261.18457	11.1
271.16998	10.7
287.43997	3.4
289.17969	53.3
303.19662	4.0
307.18997	4.4
321.17365	3.3
321.20514	18.2
339.18097	8.6
339.23065	5.4
339.26990	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.6
65.03960	2.8
67.05503	7.5
69.03447	13.7
69.07064	4.9
70.06596	12.9
70.42098	4.2
70.42397	4.5
72.08152	15.2
79.05489	7.2
80.05015	2.9
83.04972	11.0
84.04528	4.3
84.08170	4.4
85.02897	4.5
85.06551	4.9
86.06077	13.3
87.04477	5.2
91.05478	5.0
93.07027	5.3
94.06569	35.2
97.02910	4.9
107.04956	5.2
108.08127	25.3
110.06014	4.0
111.04442	8.4
113.06020	3.8
113.77699	2.7
119.04987	4.5
119.07350	4.7
120.08113	32.9
121.06473	3.2
122.06065	20.4
122.54013	2.6
123.04464	4.3
123.06849	12.9
124.07565	4.2
127.03929	3.6
128.07085	5.1
129.05495	5.2
129.62379	3.0
130.05000	6.8
130.06549	3.4
132.08063	3.3
134.06067	4.3
134.09662	7.7
135.04359	4.4
136.07574	26.5
137.08377	3.6
138.05533	5.1
138.09166	6.6
139.03917	8.8
143.08626	2.7
144.08104	7.2
145.02856	7.7
145.08882	6.5
146.05968	3.4
146.08447	4.5
146.09592	6.6
147.04407	13.5
147.06813	5.6
148.07555	33.6
149.06000	3.6
150.05537	3.5
152.07127	2.8
156.06470	4.5
158.09511	5.6
160.11235	4.7
161.07137	3.5
162.09122	17.7
163.03932	9.1
164.07063	16.3
166.08679	10.8
166.12262	8.3
167.54282	2.8
170.09715	5.2
171.10416	2.9
172.07550	4.1
172.11208	3.8
173.07133	3.4
174.07870	5.3
174.09203	6.8
174.12758	4.4
175.08713	7.7
176.07060	6.8
177.05486	10.8
178.08675	13.4
182.08173	3.3
182.09763	3.1
184.07576	3.6
184.11253	9.0
186.09146	14.9
186.12769	6.1
187.09943	10.7
188.10680	3.8
190.08655	22.3
192.06587	6.6
193.09846	2.7
194.08189	4.0
196.09906	3.6
200.10732	5.5
202.08624	11.8
202.12292	21.9
203.03430	10.5
204.10190	4.1
206.08423	6.6
210.14880	6.3
211.12361	3.1
212.10695	14.0
213.10202	3.6
214.08572	13.8
215.09482	12.4
217.09758	6.5
218.08194	5.9
220.13344	5.1
221.10751	5.8
225.03941	3.0
227.11823	7.0
230.11801	41.9
232.09761	7.7
233.10620	3.4
236.09187	14.9
239.11859	16.2
240.10162	11.3
248.12793	25.5
257.12909	7.9
258.11279	52.7
261.12384	5.1
267.11368	21.6
272.11511	15.4
273.12454	7.6
275.13983	20.0
276.12308	82.6
276.15204	5.0
285.12360	47.5
286.10754	17.8
291.54370	3.0
293.15002	3.9
294.13257	16.0
303.13391	58.5
304.11780	63.9
321.14471	30.8
322.12842	42.6
339.15533	100.0
339.18927	6.6
339.26746	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	339.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05526	1.5
67.05492	2.8
69.03435	2.0
70.06603	4.1
70.83336	2.9
72.08158	3.6
72.93153	1.3
79.05503	5.4
81.03426	4.1
81.07076	7.9
82.06572	1.8
84.04508	1.4
84.08131	4.2
85.02896	1.5
86.09703	1.5
87.24871	1.2
89.03938	2.1
91.05475	4.7
93.05824	1.7
93.07077	1.4
94.06573	4.2
95.04978	1.6
96.08137	3.1
97.02894	1.7
100.27338	1.2
105.07061	1.4
108.08144	3.6
109.02905	2.8
109.06499	2.1
110.06062	9.2
117.03387	3.6
120.08126	1.6
122.06045	19.5
123.06796	2.0
124.07602	18.9
127.03987	1.2
130.05026	1.2
134.06017	18.6
134.06990	1.6
135.04393	2.2
136.07582	84.7
137.06030	1.2
137.07959	2.2
138.05553	3.2
140.07088	6.3
145.02823	7.6
146.05983	1.4
147.04411	3.4
150.05521	6.6
152.07074	91.3
158.08153	2.8
161.06017	2.1
163.03943	4.0
164.07079	100.0
166.08638	3.4
166.12358	1.8
168.06552	3.8
170.08128	11.6
172.11209	1.6
177.05464	16.1
177.06854	1.4
182.08134	26.4
192.06683	1.9
194.09953	1.1
203.03387	2.7
210.05867	1.9
214.12257	1.2
242.11676	1.8
243.11449	1.3
247.28047	1.2
257.12576	1.1
258.11166	2.4
260.12888	6.0
267.11349	2.1
275.13895	1.3
276.12387	4.0
277.22232	1.1
285.12384	4.0
303.13400	55.8
304.11755	1.4
321.10620	1.9
321.14410	12.1
339.11966	1.6
339.15491	4.2
339.19147	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03955	1.7
55.01876	0.7
55.05524	0.4
57.03443	0.9
61.02935	0.5
62.29814	0.3
63.02384	0.4
67.05501	0.5
69.03438	6.3
69.67895	1.9
70.06602	0.9
71.05009	1.2
72.08156	0.9
73.02922	0.9
74.74048	0.3
76.72654	0.3
78.04743	0.6
79.05498	0.6
81.03428	15.0
81.07074	0.6
83.06130	0.5
84.04478	0.4
84.08116	0.3
85.02909	5.0
86.09690	0.5
89.03924	7.1
91.05482	1.4
93.07078	0.5
94.39375	0.4
95.04981	0.6
95.08607	0.6
97.02886	1.9
99.04449	1.7
99.85581	0.3
105.07082	0.4
107.04962	0.9
109.02899	5.8
109.10185	0.4
111.05573	3.2
117.03395	23.3
119.04971	0.5
121.06500	0.5
124.07614	0.6
127.03916	2.1
133.06506	0.4
134.03644	1.7
135.04414	1.5
137.05988	0.7
145.02859	55.2
146.03218	0.5
147.04480	0.4
149.05998	8.9
153.02481	0.4
163.03934	1.1
166.08159	0.3
177.05482	100.0
178.05815	1.1
186.05486	0.6
191.08653	0.4
194.99518	0.3
195.06537	3.2
221.63902	0.3
257.12842	0.6
271.41064	0.4
279.08487	0.4
307.09613	0.3
313.64941	0.4
321.09726	15.8
321.14337	1.0
326.24780	0.4
339.10867	2.6
339.19077	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	339.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
67.05492	0.6
69.03416	0.7
70.06584	1.4
70.23163	1.7
72.08158	1.7
74.22485	0.5
79.05512	1.2
81.03431	1.1
81.07064	0.9
83.01363	0.6
84.08140	1.6
85.02912	1.8
86.09716	1.3
89.03926	4.0
91.05483	1.1
94.00317	0.5
95.01350	1.6
95.04980	1.0
95.08627	0.6
96.81641	0.5
100.11240	0.6
103.05473	1.4
107.04967	1.9
108.08116	0.7
108.69984	0.6
109.02903	0.9
110.06028	0.8
115.05474	0.6
117.03402	6.3
119.05004	0.7
120.08125	1.2
121.02882	1.7
121.08491	0.7
122.06036	0.8
123.04394	2.6
124.07605	0.9
130.05025	1.1
131.04951	2.0
134.06009	0.6
135.03389	1.0
135.04430	19.0
136.07617	3.0
137.05980	0.8
138.05498	0.7
139.03929	0.9
141.01836	0.6
141.05582	0.5
145.02858	10.8
145.22893	0.6
146.03687	0.6
147.04414	24.8
149.02350	3.1
149.05960	1.7
151.03958	0.8
152.07101	2.4
159.04419	1.7
161.06049	1.1
163.03917	79.3
164.04362	1.0
164.07050	3.3
166.05046	0.6
166.08560	0.6
166.12242	1.0
170.08231	0.8
173.05991	0.8
175.03920	4.0
177.01823	3.0
177.03932	2.0
177.05444	10.8
182.08160	1.1
187.03929	2.7
189.05481	2.3
191.03458	1.5
201.05521	0.7
203.03409	100.0
204.03770	1.7
205.04941	3.7
210.14969	1.0
213.05502	0.5
215.03352	5.4
219.02893	1.5
220.12050	0.6
221.04549	0.7
229.04970	2.3
231.02905	12.4
231.06514	0.7
233.04494	3.8
246.04970	0.6
246.79794	0.5
261.04013	6.3
279.05005	8.8
285.12302	0.9
291.04990	5.8
303.04877	0.8
303.13525	2.4
321.14496	1.2
339.06964	3.6
339.11383	0.6
339.15463	1.6
339.19336	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	338.2691
Annotation	Melophlin I
Peak:m/z	Relative Intensity
53.03932	1.2
55.01875	2.2
55.05512	6.5
57.03452	1.1
57.07079	2.0
62.06094	100.0
67.05180	1.2
67.05512	15.7
69.07057	5.3
69.91917	3.8
70.02939	0.8
71.04993	0.9
71.08639	26.7
79.05134	1.0
79.05502	12.0
81.03416	1.4
81.07063	17.3
83.04988	3.3
83.08618	3.7
83.91711	0.8
85.06555	1.7
85.75693	0.9
87.03590	1.0
91.05495	9.4
93.07047	16.7
95.04964	2.8
95.08620	14.0
97.06514	3.4
97.10173	2.0
98.06043	4.2
98.20859	1.1
99.04415	1.3
99.08096	17.7
105.07049	6.8
107.04970	2.3
107.08588	6.4
109.06553	1.0
109.10166	5.2
115.64015	0.9
117.06993	1.7
119.08602	6.8
120.78785	0.8
121.10142	5.3
123.08096	0.9
123.11710	1.2
125.09579	1.3
131.08556	1.3
133.10129	5.2
135.11671	6.3
143.10669	1.1
145.10112	4.5
147.11708	1.7
149.13268	2.1
151.11200	7.4
153.12706	1.0
159.08032	1.0
161.13287	5.5
163.11188	3.4
167.10963	0.9
171.11728	1.0
175.14894	1.8
179.14339	10.2
196.13425	1.4
200.41614	1.0
214.14413	2.5
217.19592	1.6
222.12599	1.0
222.18526	19.3
240.19608	28.8
241.19669	2.2
259.20651	3.8
277.21658	5.2
289.18015	1.1
320.25861	94.8
321.24341	3.6
338.26877	22.0
339.27478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38040	0.5
55.05513	2.0
57.07065	0.8
57.12661	0.5
62.72093	0.6
67.05502	4.8
69.03416	0.9
69.07071	11.2
69.75738	2.4
70.21343	0.5
79.05499	4.1
81.07066	10.0
83.04993	3.0
86.09710	100.0
88.03999	1.0
91.05486	7.9
93.07044	11.6
95.04981	2.1
95.08607	3.9
97.06493	0.6
98.21607	0.6
105.07035	12.9
107.08607	3.1
108.04496	0.7
109.06530	6.8
109.10161	2.3
111.08099	3.2
117.07073	0.8
119.08595	3.5
121.10159	2.2
123.08093	0.7
123.10769	0.5
123.11742	1.1
128.10719	5.5
129.07014	1.1
131.08565	4.0
133.06511	0.7
133.10133	12.9
134.71884	0.5
135.08145	0.6
135.11688	1.5
142.78911	0.6
145.10133	1.1
146.11763	30.5
147.11685	7.3
149.09624	1.1
149.13297	1.8
151.07571	2.1
151.11191	30.2
156.10225	1.7
157.10167	0.7
159.88495	0.5
165.12814	1.9
167.14232	0.5
168.06659	0.8
173.13281	0.6
175.11227	2.6
177.05592	0.7
186.07654	0.7
193.12273	3.9
209.72652	0.6
210.14981	0.8
222.14867	1.3
227.51665	0.5
247.20667	1.8
260.20093	5.9
271.08405	0.6
278.21167	31.7
306.20523	2.6
320.22308	2.8
338.19147	1.0
338.23236	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	338.2686
Annotation	Melophlin I
Peak:m/z	Relative Intensity
50.21889	1.0
53.03942	2.6
55.01871	2.0
55.05508	9.2
57.03436	1.7
58.57952	1.1
61.57483	1.0
62.06092	100.0
67.05508	19.2
69.03447	1.0
69.07072	6.5
69.58025	8.0
70.06574	3.0
71.04974	2.2
71.08633	20.1
72.08170	1.2
72.71280	1.1
78.33640	1.1
79.05504	13.0
81.00655	1.2
81.03411	4.2
81.06657	1.4
81.07062	17.2
83.04955	3.0
83.08614	4.8
85.02914	1.2
85.05296	1.6
88.07629	3.1
91.03954	1.0
91.05483	8.0
93.07053	13.3
95.04934	3.2
95.08619	11.6
97.06547	3.0
97.10177	2.3
98.06062	5.4
98.20755	2.3
99.08097	13.4
102.09177	1.8
105.07025	8.0
107.04929	1.6
107.08604	6.0
109.06515	2.8
109.10153	5.2
111.08034	1.5
113.92060	1.2
117.07008	3.0
119.08600	7.0
120.54759	1.1
121.10144	4.0
121.10946	1.2
124.11194	3.3
131.08597	1.6
133.10135	4.3
135.11650	3.5
137.05968	3.6
143.08534	2.2
145.10136	4.7
147.11658	2.6
149.13266	2.0
151.11147	7.9
157.10107	2.1
161.09579	1.2
161.13240	4.5
163.11177	4.0
163.14796	1.2
175.14810	4.2
179.14259	1.8
185.13159	1.3
196.13336	16.5
214.14401	20.6
222.18518	13.9
240.19598	19.2
241.19569	3.6
253.49886	1.3
256.26398	17.5
259.20563	5.6
277.21695	8.3
320.25851	82.3
321.24121	2.6
338.27075	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	338.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.01867	1.0
55.05522	0.6
56.05039	3.5
56.96574	3.9
57.03440	2.2
59.05021	1.0
60.04547	0.7
61.02932	4.3
69.03434	9.7
69.07073	0.8
69.97705	2.3
70.06595	5.4
70.98150	1.1
71.05000	1.4
72.04535	0.7
72.08168	3.3
73.02926	3.3
74.06085	10.5
80.35889	0.5
81.03418	4.3
83.01368	0.8
84.04513	0.7
84.08141	1.8
85.02914	24.7
86.09714	1.2
87.04478	2.2
88.07648	4.0
91.03979	1.3
91.05501	0.7
97.02902	10.2
98.06049	0.5
98.97617	3.3
99.04483	1.9
100.07632	0.9
101.00900	1.1
109.02870	2.8
110.07187	1.0
110.97613	1.3
112.11275	3.0
116.07107	0.6
116.98658	1.5
119.01920	1.7
121.01686	0.5
127.03924	4.4
128.98608	1.5
129.10234	0.7
130.12288	100.0
131.01947	0.8
132.93799	0.4
133.03342	0.6
134.99672	0.8
136.07596	1.2
143.01915	0.8
143.08195	1.0
145.01683	0.7
145.04958	3.1
146.99687	1.5
149.10733	0.5
150.09180	0.6
153.05736	1.1
158.08395	0.5
158.11757	1.6
161.03041	0.9
161.06715	0.6
162.06471	0.6
163.03949	0.7
163.12244	1.0
164.13049	0.7
165.00754	1.0
173.02902	0.7
175.11873	0.8
176.07137	1.6
176.12837	87.5
177.00815	0.6
177.04230	0.5
177.06543	0.8
185.06607	0.6
187.08278	0.5
203.07660	1.0
218.13698	0.6
219.01920	0.6
220.06032	0.8
221.05170	0.8
237.02747	0.9
256.08728	0.7
264.01270	0.9
275.10229	0.5
302.16031	0.6
305.10880	1.2
320.16953	0.6
338.14386	1.0
338.18063	7.9
347.49347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03941	3.1
55.01863	1.6
55.05514	40.8
57.03441	29.1
57.07082	5.6
58.98664	0.9
65.03937	1.8
65.19653	0.9
67.05508	88.9
67.98529	1.0
69.07072	46.1
69.84505	2.1
69.84916	3.0
71.04986	2.4
71.08636	2.6
76.15865	1.0
77.21822	0.9
79.05063	1.5
79.05495	21.6
80.06231	0.9
81.07060	86.3
83.04981	3.7
83.08624	23.2
83.91244	0.9
85.06549	1.9
86.58480	1.1
91.05479	13.5
93.07053	21.2
95.04958	1.9
95.08614	58.7
96.08925	1.6
97.06532	3.9
97.10176	11.8
105.07047	10.6
107.08601	13.0
109.06539	1.2
109.10162	22.3
111.08073	2.2
111.11727	3.2
119.08603	7.8
119.77333	0.8
121.10148	8.2
123.08055	2.9
123.11729	10.2
125.09592	1.7
126.63039	1.1
133.10136	7.3
134.48433	1.0
135.11641	5.1
137.09592	1.4
137.13263	2.8
147.11691	6.1
149.13263	2.1
151.14780	2.3
161.13341	5.0
163.14857	3.2
165.12730	1.0
175.14830	3.0
177.16339	1.0
181.24602	0.9
201.72882	1.0
211.14125	0.9
226.18176	1.1
239.14537	1.0
263.23709	3.3
337.27383	100.0
338.27902	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03954	2.1
54.47378	0.9
55.01874	1.4
55.05518	40.1
57.03443	22.6
57.07086	6.3
58.96876	0.9
61.59535	0.9
65.03938	3.6
67.05509	73.4
69.07073	45.3
69.70348	1.7
69.70767	3.4
71.04987	3.2
71.08620	2.7
79.05501	20.6
81.07063	77.3
82.07381	1.2
83.04989	1.9
83.08156	1.3
83.08630	24.5
85.06525	2.5
91.05483	14.8
93.07049	20.2
95.04963	1.3
95.08614	65.1
97.06523	4.7
97.10175	11.4
99.08085	1.5
104.27859	0.9
105.07040	10.1
107.08603	10.3
109.06493	1.0
109.10168	23.6
111.08088	3.6
111.11670	2.6
113.09637	0.9
119.08588	8.2
121.10162	10.4
123.08112	1.2
123.11713	11.2
127.11178	0.9
133.10126	8.0
135.11723	4.7
137.09616	1.4
137.13277	4.5
147.11697	6.2
149.13280	5.0
151.11183	1.4
151.14813	1.5
152.82573	0.8
161.13278	4.2
163.14896	4.0
165.12724	1.7
175.14822	3.7
177.16411	1.4
183.70734	0.9
189.16353	1.1
243.27107	0.9
245.22697	3.2
252.42107	0.9
263.23718	5.1
337.27383	100.0
338.27731	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	43.6
55.54861	4.7
57.03432	17.1
57.07067	15.3
63.77193	3.7
67.05177	5.7
67.05506	86.7
69.06723	4.7
69.07071	57.4
71.04996	25.0
71.57034	5.1
79.05492	36.8
81.07064	100.0
83.08616	21.3
85.06537	4.8
88.36903	4.3
91.05071	3.0
91.05493	33.5
93.07048	51.4
95.04972	14.1
95.08607	97.4
96.08970	4.6
97.06511	8.9
97.10145	11.3
105.07036	63.5
107.08598	38.1
109.06526	8.7
109.10155	41.7
111.11715	4.4
117.07019	14.2
119.08586	58.2
121.10153	50.3
123.08095	10.0
123.11711	51.1
129.06923	8.5
131.08572	31.5
133.10127	32.4
135.08066	17.6
135.11711	17.5
137.13261	4.7
139.11159	3.6
141.06960	5.9
142.07768	15.0
143.08542	20.3
145.10139	43.9
147.11757	23.4
149.09453	4.4
149.13243	10.3
155.08551	15.7
156.09386	9.1
157.10129	37.3
159.11700	23.3
161.09637	13.9
161.13278	14.0
163.14838	8.6
167.08565	6.3
169.10127	18.1
170.10872	3.8
171.11658	20.7
173.13248	12.9
175.11220	6.3
175.14857	14.4
177.16356	5.5
179.08623	5.3
181.10167	10.8
182.10942	7.5
183.11662	20.2
185.13263	10.5
187.14787	7.6
189.16389	8.0
195.11653	11.6
196.12306	6.0
197.13220	27.3
199.14815	10.2
201.12711	12.7
201.16418	8.8
202.16936	3.8
209.13280	13.2
211.14850	9.4
213.12646	4.9
213.16382	5.9
214.17168	4.6
215.14319	10.1
223.14803	13.2
225.16466	5.8
237.16280	4.0
239.17998	7.8
253.19453	10.4
257.18759	5.3
263.17908	4.6
267.17477	4.5
267.21021	6.5
279.21088	10.8
281.19025	5.0
291.06461	4.1
294.23294	8.0
319.24155	7.7
337.20813	6.7
337.25143	36.0
337.27594	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
53.03942	7.8
55.01873	6.5
55.05516	22.8
57.07077	7.6
62.06095	4.9
65.03954	4.5
67.05186	4.2
67.05513	68.1
69.03439	19.1
69.07072	39.2
70.06597	6.4
70.18190	15.9
71.04994	28.8
72.08167	6.3
79.05492	41.6
81.03421	10.5
81.07064	100.0
83.04987	9.7
83.08631	19.3
85.06548	10.8
88.94896	3.9
91.05483	40.6
93.07062	64.9
95.04980	21.1
95.08614	88.0
96.05250	3.8
97.02908	7.8
97.06546	19.0
97.10168	14.0
99.04484	8.0
105.07035	59.3
107.04964	10.5
107.08611	62.9
107.77220	3.5
109.02892	11.6
109.06541	15.9
109.10160	94.3
111.04440	7.2
111.08078	5.7
115.05431	6.4
117.07080	9.1
119.08590	47.5
121.06520	16.3
121.10157	82.9
123.04404	4.8
123.08084	12.1
123.11717	20.5
125.09635	20.7
127.03931	12.9
127.07559	11.1
127.11183	8.6
129.06998	9.9
131.04852	4.0
131.08597	24.9
133.06494	6.7
133.10141	56.8
135.08070	7.3
135.11716	42.0
137.06004	8.2
137.09630	32.6
137.13283	9.8
139.11183	27.2
141.12752	5.6
142.07762	8.7
143.08604	16.4
145.10127	32.3
147.04375	5.2
147.08066	11.2
147.11716	28.2
149.05898	5.9
149.09627	12.2
149.13258	19.5
151.11163	9.3
153.12747	9.8
155.08621	8.3
157.10110	20.3
159.08040	8.2
159.11722	20.9
160.36375	4.4
161.06010	7.2
161.09624	32.6
161.13228	11.1
163.11230	11.5
165.09142	14.9
165.12721	7.5
167.08536	4.9
169.10155	12.3
171.11714	20.1
173.09674	15.3
173.13298	32.6
175.11194	40.1
175.14876	15.2
176.11969	12.8
177.12807	10.0
178.07924	5.4
179.10667	8.9
181.10088	4.8
181.12405	4.4
185.13329	14.6
187.14836	17.4
191.10547	4.4
191.18007	5.4
193.12181	5.8
197.06038	5.3
197.13217	19.7
199.03944	14.0
199.14734	9.7
201.12692	5.0
203.14308	14.9
206.07286	4.9
209.13164	6.4
211.14844	10.4
213.05568	9.0
213.12848	8.4
213.16341	26.5
215.14383	28.3
217.04918	6.3
221.06210	4.1
225.05496	12.6
225.16350	4.7
227.14383	7.7
231.17453	37.2
233.15234	7.9
234.06760	11.8
241.08577	4.3
251.06990	8.0
255.21156	7.4
259.20676	4.4
262.06314	12.2
265.08569	4.9
273.22064	10.8
277.08621	16.9
283.20560	24.2
290.05786	16.2
291.10168	4.6
295.09985	4.0
301.21677	45.0
301.24960	7.3
305.08185	26.9
319.22757	16.1
319.26389	13.9
322.08334	6.1
337.10666	40.7
337.14539	22.3
337.24792	12.7
337.28848	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	336.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01860	0.5
55.05507	1.9
56.05017	0.7
56.95511	0.3
57.10646	0.4
65.03945	0.6
67.05173	0.5
67.05505	6.1
68.05029	3.0
69.03420	0.4
69.07065	1.7
70.06596	14.9
71.04990	0.5
71.55664	0.4
73.06563	0.3
74.02429	0.4
79.05052	0.5
79.05492	5.3
80.05037	1.5
80.06252	0.6
81.07056	5.7
82.06570	0.6
83.04993	0.5
83.08613	0.9
84.08142	0.6
85.06532	0.4
91.05471	3.5
93.05810	1.4
93.07050	3.5
94.06577	1.7
95.04971	0.9
95.08607	2.7
96.08124	0.6
97.02911	0.5
97.06522	1.0
100.07624	3.0
105.07037	2.3
106.06553	3.9
107.07353	0.6
107.08593	2.3
108.08124	2.7
109.06536	0.5
109.10145	0.8
110.06037	0.3
111.08000	0.3
114.05534	4.4
115.05449	0.3
116.07091	0.4
117.07019	1.3
118.06561	1.5
119.07308	0.6
119.08592	1.2
120.08105	6.4
121.08903	0.3
121.10158	1.2
121.85316	0.3
122.09661	0.9
123.08096	0.6
124.07591	0.3
128.07074	2.6
129.07016	0.6
131.08569	1.4
132.08058	1.2
133.08879	0.6
133.10132	0.4
134.09648	11.3
134.10655	0.7
135.10422	2.1
135.11469	0.5
136.11226	0.4
137.09558	0.3
140.07059	0.7
143.08569	0.4
145.10121	0.7
146.09598	1.0
147.11679	0.8
148.11215	10.0
149.09650	0.4
150.09131	0.4
152.07086	1.0
152.10678	0.5
154.08612	1.9
157.10097	0.4
159.11673	0.3
160.11244	0.7
161.11948	0.3
162.09082	0.3
162.12737	0.4
163.26051	0.3
164.07074	10.0
165.07866	0.6
166.08653	1.1
173.13284	0.8
178.08640	3.2
179.09436	1.1
180.10204	19.0
181.10550	0.3
187.72191	0.3
192.10146	0.7
194.08159	0.8
194.11765	1.2
211.41104	0.4
230.18912	0.4
251.73874	0.3
258.18613	2.2
276.19550	4.6
276.34888	0.3
277.08771	0.3
288.19617	0.4
290.17950	0.4
290.21133	4.5
300.47131	0.3
302.17468	1.3
304.19067	12.4
305.07922	0.3
305.19360	0.5
308.22156	0.5
334.20227	0.3
336.21689	100.0
337.10818	0.7
337.21939	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
69.79961	10.3
73.24650	3.1
74.42878	2.7
79.73036	3.1
98.20827	3.2
181.83293	2.4
198.33377	2.8
217.05496	2.7
283.04608	2.7
296.56171	2.5
337.08994	100.0
337.11002	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	337.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92850	3.3
52.04568	3.0
56.96566	30.0
62.03505	3.4
70.06543	6.1
70.06945	8.4
70.98135	4.6
75.57430	3.2
77.57529	2.9
82.42320	3.2
86.62803	3.1
88.99138	6.0
98.97583	32.7
110.97588	11.4
112.99143	12.4
116.98621	13.0
119.04963	3.6
123.04448	4.6
124.95501	5.2
128.98584	13.2
131.00160	7.9
138.58057	3.4
140.14293	3.2
146.99654	10.3
150.09113	20.5
158.60419	3.5
158.99614	6.4
165.00742	4.3
165.05458	5.4
170.99686	4.1
177.00749	5.9
183.82341	3.1
188.97044	10.9
189.00735	4.0
196.09735	12.7
202.98642	6.5
205.00005	3.9
207.01721	3.7
212.97025	5.2
219.01823	11.1
220.99742	3.8
230.98032	13.1
234.04330	3.7
237.02838	13.8
244.99809	3.8
248.99399	5.0
252.05493	5.5
263.00732	14.0
263.04108	3.9
270.06430	4.8
277.02420	4.7
277.05908	6.6
295.06982	16.1
337.08942	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44035	1.7
53.03946	11.7
53.32195	1.4
55.01867	7.0
55.05513	25.8
57.03433	5.7
57.07077	2.9
61.28723	1.9
65.03923	2.1
65.86890	1.5
67.05510	50.2
69.03075	2.8
69.03437	37.3
69.07072	25.8
70.06586	7.3
70.13573	4.7
71.05008	13.8
72.08152	3.2
77.82914	1.4
79.05497	33.8
81.03423	78.2
81.07063	100.0
82.04183	2.2
82.07362	1.9
83.04990	13.2
83.08616	10.0
85.02908	4.8
85.06541	8.4
91.05484	41.9
93.07047	29.0
95.04971	16.3
95.08612	37.5
97.02888	11.6
97.06525	15.6
97.10164	5.8
99.04473	9.5
99.08098	4.8
103.05446	3.5
105.07038	45.5
107.04958	9.5
107.08611	26.5
109.02888	66.5
109.06541	8.6
109.10155	19.3
110.03662	15.8
111.04441	8.6
111.08089	4.5
113.06018	2.3
114.14883	1.5
115.03963	2.1
117.07014	5.4
119.08592	32.5
120.91859	1.6
121.06499	5.0
121.09293	2.8
121.10142	27.4
121.14265	1.6
123.04424	16.7
123.08078	8.1
123.11722	25.2
123.77160	1.7
125.05991	2.0
125.09658	3.6
127.03923	69.2
127.07595	2.8
127.65446	1.7
128.06181	2.3
129.07019	8.7
131.04942	2.4
131.08592	10.4
133.06488	3.3
133.10139	14.1
135.04457	2.6
135.08128	3.4
135.11676	8.6
137.06038	8.1
137.09627	7.0
137.13248	3.0
139.11107	2.5
141.07002	2.2
142.07820	3.1
143.08572	4.4
143.10687	1.7
145.06479	3.0
145.10112	11.6
147.04497	3.6
147.08043	6.0
147.11700	67.5
149.05978	6.1
149.09621	7.6
149.13243	5.2
151.07556	2.3
151.11188	3.5
153.09169	2.5
153.12743	2.7
155.08647	2.5
157.10153	9.6
159.04437	2.0
159.11697	6.2
161.06020	3.5
161.09654	4.0
161.13219	3.9
163.02692	1.7
163.03918	3.5
163.07578	5.2
163.11192	6.0
165.07007	3.1
165.09120	3.0
165.12756	32.3
166.92839	1.9
169.06511	2.0
169.10191	2.2
171.04489	1.8
171.11674	2.3
173.09613	2.8
173.13245	3.3
175.11214	11.5
175.14882	3.0
177.05467	4.7
178.27078	1.6
181.06473	2.8
181.12297	2.2
183.13841	2.4
185.06020	1.9
185.13210	2.9
187.11261	2.3
187.14774	1.8
189.05411	3.0
189.09108	2.1
189.12875	2.7
191.10672	2.5
193.12242	14.0
195.11761	2.2
195.13693	2.0
197.05995	2.4
199.14877	2.5
203.14207	2.5
205.06500	2.2
206.07242	2.5
211.13245	2.1
213.05461	6.3
215.14326	2.1
225.05499	4.3
229.14369	3.6
233.06168	3.1
233.15288	2.0
234.06773	5.3
235.07419	2.9
245.15347	2.4
249.09164	4.7
251.07047	3.9
254.17186	1.8
255.13890	2.4
259.10822	2.7
262.06165	5.3
263.06912	1.7
273.14883	6.9
276.07761	2.6
277.08560	7.9
279.06610	2.8
283.13171	2.1
290.05673	6.9
291.16083	2.6
294.08807	2.8
301.11664	3.5
301.14706	2.1
301.21606	5.6
305.08133	9.8
306.08646	2.2
309.11392	3.2
319.15823	14.9
319.22775	8.6
322.08368	4.0
337.06927	2.7
337.10672	29.1
337.16428	89.1
337.23825	5.1
338.11389	2.2
338.16638	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	336.2169
Annotation	Dendrine
Peak:m/z	Relative Intensity
51.47711	0.3
53.03933	0.4
55.01859	0.5
55.05496	1.3
56.05011	0.4
65.03936	0.6
66.68620	0.4
67.05505	5.5
68.05032	3.8
69.03416	0.7
69.07059	1.4
69.89551	0.3
70.06596	12.9
72.08139	0.5
79.05499	5.9
80.05016	1.8
80.05812	0.5
80.06260	0.4
80.69740	0.4
81.03402	0.7
81.07060	5.6
82.06576	0.7
83.04976	0.8
83.08595	0.6
84.08135	0.5
85.06535	0.6
86.06104	0.3
91.05485	4.1
93.05780	1.5
93.07045	4.0
94.06557	1.3
95.04977	0.9
95.08604	3.5
96.08118	0.4
97.02904	0.4
97.06509	1.1
100.07629	2.6
105.07047	2.9
106.06569	3.9
107.07383	0.6
107.08601	2.0
108.08117	2.5
109.10126	1.1
110.09672	0.4
114.05524	3.8
117.07013	1.4
117.51019	0.3
118.06550	1.0
119.07321	0.8
119.08565	1.5
120.08114	5.6
121.08847	0.5
121.10136	0.7
122.09686	1.7
123.08070	0.6
124.07600	0.4
125.09570	0.4
128.07056	2.7
129.28438	0.4
131.08568	1.3
132.08063	1.4
133.08868	0.7
133.10144	0.6
134.09660	10.3
134.10664	0.7
135.10429	2.2
135.11394	0.4
136.11246	0.5
140.07089	0.7
143.08498	0.4
145.10109	1.1
146.09636	1.3
147.11615	0.7
148.07672	0.4
148.11206	10.7
149.11765	0.4
152.07074	0.8
152.10649	0.4
154.08624	1.8
157.10095	0.5
161.13249	0.4
162.12782	0.7
163.11212	0.5
164.07071	9.5
166.08658	1.3
171.11716	0.4
173.13248	0.7
178.08650	2.8
179.09430	0.8
180.10208	17.0
192.10239	0.6
193.10954	0.6
194.11826	0.9
197.13011	0.4
258.18594	2.5
263.12021	0.4
276.19583	4.2
290.21136	5.0
302.17596	1.6
304.19092	13.4
318.24265	0.6
334.20038	0.6
336.21692	100.0
337.10724	0.9
337.14722	0.5
337.21997	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	336.217
Annotation	Ankorine
Peak:m/z	Relative Intensity
53.03937	2.7
55.01861	3.4
55.05500	2.9
56.61823	1.0
56.85324	1.1
58.97251	1.1
67.05505	14.6
67.25197	1.1
68.05026	1.1
69.07083	2.4
70.06571	3.8
70.87976	1.0
71.05006	1.9
79.05502	16.0
81.03408	2.2
81.07059	7.9
82.06573	2.2
83.08641	1.3
91.05485	10.3
93.07050	9.8
94.06595	7.8
95.04960	2.3
95.08617	6.0
96.08147	14.0
98.06033	1.3
105.07048	6.2
106.06586	2.3
107.04962	6.8
107.08609	5.9
108.08098	1.7
109.06542	1.4
109.10198	1.2
112.07610	4.0
117.07053	2.1
119.08572	3.4
120.08116	9.7
122.06013	5.1
123.08065	2.1
124.07684	1.7
131.08543	3.3
132.08119	1.7
133.08838	1.4
133.10049	1.4
136.07596	24.4
145.06517	1.2
145.10190	2.1
145.20338	1.1
146.09615	2.3
147.11618	1.7
148.07585	12.9
149.08321	2.9
150.09114	1.6
163.11176	4.3
174.09169	3.0
174.64963	1.2
188.10632	1.4
206.58839	1.1
226.43779	1.2
234.74031	1.0
252.49930	1.2
272.20071	3.9
274.21481	1.6
282.18488	2.8
288.78540	1.2
290.21103	3.5
300.19604	38.8
318.20663	100.0
319.21008	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	3.3
55.05521	18.2
57.03193	2.2
57.03440	21.7
57.07074	2.7
64.64092	1.5
67.05510	81.7
69.07084	13.5
70.72314	5.2
71.04970	1.7
72.57085	1.7
79.05067	2.7
79.05498	37.4
81.07065	71.4
83.04950	2.2
83.08609	7.7
86.34694	1.8
90.72231	2.0
91.05476	24.0
93.07052	48.8
95.04982	2.4
95.08617	57.9
97.06554	2.6
97.10175	2.4
105.07039	15.4
107.08607	25.6
109.10162	26.3
117.07017	6.3
119.08591	11.3
121.10150	21.8
123.11720	9.9
131.08559	10.1
133.10176	9.7
135.11702	16.1
137.13246	3.2
145.10127	7.3
147.11708	7.8
149.13303	10.4
151.11349	1.8
155.79581	1.7
159.11742	4.3
161.13271	4.9
163.14818	4.6
173.13286	5.6
177.16318	2.2
187.14877	3.3
201.16368	1.9
243.21082	6.4
261.22104	10.9
297.17557	2.1
300.10193	1.9
317.24783	3.5
335.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1919
Annotation	Gly Phe Ile
Peak:m/z	Relative Intensity
57.07028	0.4
67.05501	2.5
68.05016	0.5
69.07056	0.8
70.06596	29.2
70.83903	0.4
70.84227	0.9
72.08145	0.8
79.05500	0.4
80.17561	0.4
81.03401	0.5
81.07030	0.9
83.04988	0.6
84.04503	0.7
84.08133	0.8
85.02875	0.5
86.09713	16.1
91.05484	0.9
93.07056	1.0
94.06577	0.6
95.04964	3.0
95.08575	0.5
97.02874	1.7
103.05475	1.4
107.08586	0.6
109.02862	0.6
109.10159	0.6
112.07613	5.5
114.05514	0.7
119.08630	0.5
120.08111	100.0
121.08438	1.2
127.03912	0.5
132.10205	5.3
135.04416	0.9
135.11739	0.4
143.11821	4.4
147.11694	0.6
147.76979	0.4
163.03975	0.5
166.08640	1.8
171.11336	0.8
175.88829	0.4
177.10240	46.5
178.10483	0.6
198.28748	0.4
205.09724	9.3
205.79347	0.4
215.26273	0.4
238.10884	0.6
256.11865	0.7
273.03162	0.7
274.12939	2.5
279.17090	1.1
292.13919	2.7
336.13422	2.2
336.18109	0.6
336.21823	0.8
337.14664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
53.03932	1.4
55.01855	2.5
55.05516	11.7
57.03448	5.2
57.07077	7.8
65.03928	1.1
66.69736	0.7
67.05508	27.1
68.93573	0.7
69.03419	1.7
69.06729	1.2
69.07073	16.8
69.57874	4.0
69.58280	1.2
71.04989	1.9
71.08640	6.9
79.05074	1.1
79.05500	17.8
81.07059	33.4
83.05006	1.1
83.08617	4.8
85.06538	2.4
88.12168	0.8
91.05479	11.2
93.06480	1.1
93.07047	20.6
95.04973	18.5
95.08613	22.0
97.06541	4.4
97.10166	1.7
98.90568	0.8
99.08092	5.6
104.78960	0.7
105.07037	12.7
107.08595	13.8
109.06522	37.5
109.10149	8.4
111.08074	2.2
117.07018	2.2
119.08585	10.0
121.06509	6.9
121.10175	7.8
123.08048	3.5
123.11704	3.2
131.08566	4.8
133.10115	6.7
135.08041	4.2
135.11694	7.3
137.09618	1.1
137.13281	1.0
143.08531	1.5
145.10095	5.6
147.11667	4.5
149.09615	1.6
149.13251	3.6
157.10109	0.9
159.11707	2.0
161.13290	3.8
163.11183	3.2
163.14859	2.1
165.12762	89.8
166.13013	1.4
173.13269	3.3
175.14787	1.8
177.12727	4.3
177.16347	1.0
179.14311	3.4
193.18974	0.7
201.16391	1.0
205.15884	1.0
209.18893	0.8
219.17462	2.9
261.18439	1.4
261.22076	1.4
275.20255	1.1
279.19617	4.9
289.25235	8.9
299.23615	1.8
317.24768	40.4
318.25079	1.3
335.25809	100.0
336.26288	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03941	4.2
55.05518	19.2
57.03441	24.3
57.07067	3.8
63.94121	1.6
65.03926	3.4
65.47829	1.3
67.05510	100.0
69.07069	25.0
73.06535	1.4
79.05502	47.3
81.07065	88.9
82.92271	1.3
83.05013	1.9
83.08630	8.7
90.49600	1.4
91.05482	23.6
93.06474	3.0
93.07053	52.7
95.04975	5.8
95.08617	66.3
97.06536	2.8
97.10174	3.8
98.20736	4.2
105.07030	14.8
107.08597	25.4
109.09460	2.3
109.10159	30.5
111.08097	3.1
114.62893	1.4
117.07018	5.7
119.08559	9.5
121.10155	23.1
123.08099	1.8
123.11732	12.7
131.08580	12.8
133.10135	9.8
135.11694	14.5
137.13275	3.7
145.10123	4.6
147.11685	7.0
149.13332	7.5
151.11168	1.5
159.11722	3.3
161.13278	6.9
161.14452	1.2
163.14851	3.5
173.13298	4.9
175.14856	1.8
177.16388	1.5
183.80183	1.3
187.14812	3.0
229.34953	1.7
243.21130	3.3
261.22189	8.2
335.25815	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
52.87720	1.0
53.03938	4.3
55.01865	1.8
55.05270	1.5
55.05514	23.3
57.03188	1.6
57.03440	22.5
57.07062	3.8
65.03924	3.4
65.35744	1.0
67.05510	96.8
69.07071	19.7
71.04987	2.1
71.13598	1.0
71.21523	1.5
71.21854	1.6
79.05496	47.5
80.05791	1.1
81.07060	90.6
83.04977	3.1
83.08633	9.3
83.68127	1.0
85.06541	1.9
91.05491	25.7
93.07048	50.7
95.04963	4.8
95.08613	66.2
97.06525	3.3
97.10164	3.8
99.08099	1.8
105.07033	17.6
107.08603	27.5
109.06537	1.8
109.10165	29.6
117.07040	4.4
119.08606	13.3
121.09309	1.9
121.10144	23.6
123.08046	1.2
123.11704	9.2
131.08562	7.7
132.09430	1.1
133.10117	10.4
135.11699	14.4
137.13257	3.0
142.79112	1.0
145.10133	6.9
147.11681	7.1
149.09537	1.1
149.13278	8.0
151.14833	1.6
159.11714	4.4
161.13254	4.6
163.14813	3.8
169.43190	1.0
171.11626	1.5
173.13228	5.9
175.14801	2.3
187.14861	2.0
199.73810	1.1
243.21155	6.5
261.22101	8.4
317.24863	2.4
335.25821	100.0
336.26218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03943	5.5
55.01877	3.0
55.05270	1.2
55.05514	18.8
57.03439	29.2
57.07068	5.2
65.03935	3.8
67.05507	100.0
69.07071	19.4
70.06551	1.5
70.51673	1.2
71.05001	3.0
71.55166	1.5
77.03917	1.3
79.05495	54.4
81.03431	2.9
81.07059	97.0
83.04985	3.2
83.08619	11.5
85.06532	3.2
91.05483	32.9
91.75207	1.2
93.07048	66.9
95.04974	5.2
95.08612	79.9
97.06531	4.4
97.10167	4.4
99.08083	1.7
103.03887	1.4
105.07026	23.9
107.08598	42.1
109.06509	3.5
109.09464	2.2
109.10161	33.9
113.09621	1.7
117.07038	9.5
119.08587	17.4
121.06538	2.4
121.10147	27.9
123.08085	1.6
123.11728	11.2
125.09614	1.5
129.05490	6.1
129.07013	1.9
131.08583	20.2
133.10146	16.2
134.10527	1.4
135.08055	2.5
135.11699	19.3
137.13242	5.3
141.07022	1.7
143.08606	2.2
145.10139	14.3
147.11702	12.6
149.09575	3.0
149.13257	11.9
151.14798	1.5
155.07043	1.9
157.10085	2.6
159.11679	10.0
161.13200	8.6
163.07727	1.3
163.11150	2.0
163.14796	7.7
165.12828	1.6
165.16420	1.3
171.11688	2.6
173.13258	9.1
175.14836	3.1
177.12744	1.7
177.16351	2.9
179.14369	1.8
185.13290	2.1
187.14850	4.3
189.16446	1.4
195.11656	1.2
217.19606	2.2
233.22530	1.7
243.21075	16.4
259.20370	1.6
261.18634	1.7
261.22144	14.4
276.20578	2.1
279.23404	1.5
293.22937	3.2
317.24829	7.4
335.21576	23.6
335.25797	96.6
336.25729	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	335.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83948	0.5
55.05505	1.7
57.03437	1.4
61.67517	0.5
67.05511	4.9
69.03438	0.5
69.07057	1.5
69.92667	2.6
72.04510	0.7
79.05484	3.8
80.23272	0.5
81.07071	5.4
83.08641	0.6
91.05479	2.3
93.07039	3.6
95.08614	4.1
97.06539	0.7
98.20803	0.7
100.11243	1.1
105.07039	2.0
107.08594	2.3
108.67714	0.6
109.06525	2.1
109.10157	1.1
113.75630	0.5
119.08583	1.2
121.10135	1.5
123.11822	0.5
128.10724	0.5
131.08592	1.0
133.10165	1.3
135.11688	1.3
147.11711	1.2
149.13300	0.6
165.12692	1.0
166.03300	0.5
176.68843	0.6
177.12787	0.6
250.73056	0.6
255.66698	0.7
261.22342	0.7
276.23395	0.7
294.24289	1.5
317.21234	0.9
317.24731	3.9
335.21954	100.0
335.25522	4.5
336.22247	2.3
336.25494	2.3
350.81772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03957	3.5
55.01862	1.9
55.05514	14.2
57.03439	20.2
57.07064	2.6
65.03928	1.7
67.05506	66.0
69.07069	15.3
69.74601	1.2
69.75012	2.3
71.04980	1.4
74.39972	0.7
77.03914	0.8
79.05496	32.3
79.57635	0.6
81.07060	67.9
82.07388	0.9
83.04975	1.3
83.08621	6.1
85.06528	1.7
90.67176	0.5
91.04907	0.6
91.05479	16.9
93.07046	42.2
95.04944	2.4
95.08609	54.6
97.06518	2.3
97.10172	3.7
99.08083	1.1
105.07034	13.7
107.08599	24.3
109.06525	2.0
109.10159	23.8
109.10922	1.1
111.08084	1.0
111.11689	0.8
112.77921	0.6
117.06990	4.1
119.08579	9.7
121.10147	21.3
123.08071	1.7
123.11691	9.3
125.09599	0.9
129.05463	2.5
131.08568	7.9
133.10139	9.6
135.11694	15.9
137.09703	0.7
137.13248	2.9
142.56363	0.6
145.10118	6.9
147.11682	6.4
149.09595	0.9
149.13277	9.2
151.11171	1.0
151.14857	1.2
159.11690	4.9
161.13266	6.1
163.11217	0.7
163.14862	4.8
165.12688	1.2
168.07410	0.7
173.13266	6.8
173.14690	0.9
175.14815	2.1
177.12816	0.8
177.16406	2.3
179.14328	1.0
185.13150	0.6
187.14793	3.6
193.16017	0.8
201.16393	1.4
243.21091	11.0
261.22153	11.4
279.23291	1.3
291.23380	0.7
295.09152	0.7
317.24802	3.4
335.25803	100.0
336.26123	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.9
55.05514	7.3
57.03427	3.3
57.07072	2.4
62.06077	3.2
67.05511	19.0
69.07079	7.1
71.08627	1.2
71.31002	2.3
72.08160	1.7
74.98985	1.1
79.05498	13.8
81.07059	23.4
83.08605	4.1
85.06555	1.4
86.86696	1.3
88.07632	2.2
91.05486	16.0
93.07052	15.3
95.04960	2.4
95.08054	2.0
95.08611	20.0
96.08968	1.3
97.06489	1.7
97.10157	2.2
105.07048	19.9
107.08596	11.8
108.08180	1.2
109.06507	2.3
109.10159	7.3
117.07005	3.7
119.08582	11.7
121.06477	2.6
121.10205	5.8
123.11704	2.7
129.95430	1.2
131.08607	7.4
133.10155	15.6
135.11676	3.6
141.38628	1.2
145.10115	7.5
147.11690	4.7
149.13249	3.9
159.11682	4.5
161.13229	2.9
163.11221	1.4
163.14839	1.8
171.11610	2.2
173.13222	2.9
175.14763	1.5
177.12759	1.2
197.13223	1.6
243.20992	3.2
243.24966	2.2
261.22153	3.5
274.90881	1.2
275.20041	15.5
276.20410	3.9
286.50403	1.3
293.23074	1.4
317.17392	1.4
317.20966	1.7
317.24811	2.0
321.96219	1.4
335.21869	100.0
335.25577	11.6
335.29962	6.8
336.25424	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34533	0.8
53.03943	2.0
53.28652	0.7
55.05509	1.0
55.89046	0.7
65.03941	4.4
67.05520	6.0
69.03424	1.1
69.07075	100.0
69.96280	4.1
70.06590	2.3
71.97945	0.8
72.08144	1.8
79.05488	2.4
80.05025	0.9
81.03409	1.7
81.07063	4.4
84.08108	1.4
86.09698	1.5
91.05482	1.4
92.05025	4.6
93.07047	2.1
94.06585	4.0
95.04987	2.7
97.02915	0.8
97.06537	18.5
101.12586	0.8
105.07050	1.7
106.06535	0.7
108.04466	1.2
109.02863	1.0
109.06544	1.3
111.19685	0.7
120.04449	1.7
122.06030	10.1
124.07606	3.1
124.78380	0.9
125.05970	1.2
127.03914	1.1
128.06230	1.0
130.06508	1.2
131.07280	0.8
132.04390	1.3
132.08032	0.9
137.05980	2.9
138.05487	3.3
140.07069	8.7
144.08069	1.8
145.08861	2.2
145.10063	1.3
146.09599	2.0
147.06783	1.1
148.03915	1.7
150.05518	85.9
157.08856	2.1
158.05965	1.1
158.09679	1.1
159.10384	1.3
159.11638	1.1
160.07608	1.2
161.08401	3.2
162.09143	1.8
164.03406	1.2
166.05016	33.5
168.06543	1.2
172.07578	0.9
172.11206	2.6
173.08347	1.7
173.13326	1.0
174.09219	1.3
174.12813	4.7
176.03450	7.3
178.04982	2.5
185.08417	2.0
186.07639	1.6
186.09178	1.1
188.10730	1.1
190.12273	3.6
192.02995	1.0
194.04480	4.3
198.07811	1.4
200.07048	0.9
200.10811	4.9
202.12323	5.5
213.10262	1.7
216.10275	3.9
218.11812	14.6
222.09360	0.9
227.11856	1.2
228.10205	9.3
234.11270	2.4
241.09727	1.8
243.11374	1.7
244.09726	1.9
246.11281	13.8
253.09950	0.9
256.09683	1.4
257.09177	1.3
269.09290	1.5
271.10782	5.2
272.09140	2.7
273.12427	2.3
274.10785	2.3
287.07233	1.7
287.10291	22.3
287.13495	1.4
289.11807	5.9
290.10220	1.3
299.10263	5.8
317.11340	21.7
335.12436	9.9
356.09662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96775	1.0
53.47889	0.9
55.01872	3.3
55.05506	6.4
56.05024	1.2
56.05878	1.0
64.66920	1.2
65.03954	1.1
67.05500	1.9
69.03444	3.3
69.07071	2.9
70.06592	9.9
71.04985	1.2
71.54695	1.0
72.08157	7.7
73.43739	0.9
79.05485	2.1
80.04990	1.9
81.03413	2.4
81.07072	2.1
82.06574	1.2
83.04987	1.6
83.06096	2.2
83.08619	7.8
84.04514	3.5
84.08141	4.9
84.08907	1.1
85.02915	2.0
86.09701	3.0
91.05486	3.5
92.05028	1.7
93.07050	1.6
94.06581	1.3
95.04957	5.6
95.08597	2.4
96.04480	1.2
96.05284	1.8
97.02867	2.3
98.06046	0.9
105.06998	1.6
107.04986	1.1
108.04485	1.8
108.08190	1.1
109.02864	1.1
109.06506	2.1
109.10197	1.8
110.06074	1.6
110.07196	1.2
112.07557	1.0
115.05497	1.0
118.06492	1.1
119.08561	2.1
120.04441	1.2
120.08130	1.4
121.06523	1.2
122.02744	1.5
122.06048	4.9
123.04482	1.6
124.07589	3.4
126.05517	1.7
126.09191	2.3
127.03879	1.0
129.06622	3.4
131.08601	2.8
132.08142	1.6
133.10118	1.0
135.08070	1.9
136.07581	3.7
137.05922	1.1
138.05478	4.9
140.07098	1.5
144.08081	2.3
145.08508	1.3
145.10081	1.6
146.05989	4.9
146.09587	1.6
147.04448	2.0
147.06346	2.7
148.03981	1.3
148.07664	1.6
149.09604	1.3
150.05524	2.4
152.03398	1.4
152.07076	1.4
156.08083	2.0
157.08868	1.2
158.06114	1.4
158.09669	1.4
159.50594	1.1
160.07594	2.1
162.09122	1.0
164.07114	2.7
166.04994	3.5
167.07298	2.2
168.06575	1.6
168.07997	1.2
170.09694	2.4
172.07588	6.4
173.07114	2.2
173.10718	2.4
174.07808	1.2
174.09164	2.3
175.08710	2.0
176.03456	1.4
177.05400	1.7
178.04984	1.3
182.08339	2.8
183.09204	1.5
184.07561	7.2
186.07800	2.6
186.09178	3.9
187.08739	2.2
187.12360	3.2
188.07074	6.6
189.04053	1.7
189.07430	6.3
189.10251	3.0
191.14275	2.4
192.02934	3.9
194.04366	1.2
196.10567	1.2
197.10768	2.1
198.07613	1.1
198.09225	7.4
199.08675	3.6
200.07091	5.8
200.09462	3.3
200.11000	2.2
201.06714	1.3
201.10262	8.2
205.09818	1.8
207.08577	1.6
210.04036	2.5
210.07745	2.1
210.09503	1.2
211.08638	2.9
212.07100	3.0
213.06532	2.0
213.10374	2.5
214.07123	1.8
214.08879	1.7
214.11008	1.2
215.08012	2.3
215.11737	10.1
217.09764	4.6
225.10265	4.6
226.08649	3.8
227.08177	6.2
227.11798	1.6
228.06654	1.8
228.08745	2.3
229.06178	1.7
229.09724	17.3
230.10516	1.8
238.07233	1.2
239.08205	1.5
241.09764	4.9
242.10518	4.3
243.07645	2.3
243.11305	24.7
245.09276	14.7
245.12982	1.3
247.07191	1.8
253.09639	6.0
254.08026	1.5
255.11264	1.4
257.09244	25.0
258.10013	2.3
259.10767	3.6
261.12311	2.8
270.10086	1.6
271.10782	77.6
272.09003	1.2
273.12320	4.6
275.10364	2.1
281.09143	8.3
287.10297	31.3
288.11209	5.0
289.11823	26.1
299.06796	2.1
299.10263	37.0
305.11386	6.4
307.12866	1.7
317.11331	100.0
318.11636	2.6
335.11996	17.8
335.16049	1.7
335.18768	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	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05846	0.6
55.05515	1.0
65.03946	2.8
67.05505	5.4
69.03433	0.7
69.07070	100.0
69.29105	5.5
70.06595	0.8
70.07407	0.7
73.11864	0.6
77.59181	0.5
79.05512	2.1
80.05005	1.2
81.07057	6.3
82.06583	0.8
91.05460	1.4
92.05015	4.4
93.05801	1.0
93.07048	2.4
94.06567	5.1
95.04976	1.8
95.08610	1.4
95.37459	0.5
96.08115	1.1
97.02924	0.6
97.06533	20.1
98.20727	1.4
99.94523	0.5
104.05057	0.6
105.07045	1.4
106.06574	0.8
107.03722	0.7
107.08652	0.9
108.04475	1.2
109.06528	1.4
109.10187	0.9
112.07549	0.7
117.07053	0.6
119.03656	1.1
120.04478	1.1
121.06514	0.9
122.06035	9.4
123.08145	0.9
123.11782	0.6
124.07596	2.6
125.06010	1.4
130.06496	1.3
131.07341	1.4
131.08493	0.6
132.08112	1.0
133.10081	0.6
137.05969	4.2
137.09642	2.0
137.50554	0.6
138.05513	6.3
140.07074	7.5
141.07814	0.9
142.08693	0.8
143.08545	1.2
144.08096	3.1
145.06496	0.7
145.08878	4.0
145.10153	1.8
146.06183	0.7
146.09637	3.9
147.06766	0.9
148.03944	2.6
150.05511	78.9
151.05879	1.0
152.03455	1.0
155.07349	0.7
157.08862	2.2
157.10086	0.8
158.06064	0.8
158.09602	1.5
159.10490	1.6
160.07581	1.3
160.11203	1.0
161.08366	4.4
162.09135	2.7
164.03416	1.1
165.04240	1.1
165.09119	0.6
166.05014	31.4
168.06601	1.7
170.09732	0.7
172.07614	2.2
172.11188	5.6
173.08386	2.6
173.09724	1.4
174.09138	1.9
174.12778	6.2
176.03442	8.7
178.04991	2.6
183.06912	0.7
185.08368	2.2
186.07587	1.1
186.09157	1.0
187.06325	0.6
188.07201	0.8
188.10739	1.7
188.94231	0.7
190.08665	1.1
190.12311	4.3
192.02963	1.1
194.04492	4.5
198.07726	1.0
199.06274	0.7
200.07175	1.1
200.10725	8.0
202.08665	0.7
202.12294	8.8
206.11774	0.8
213.10194	1.4
216.10193	4.7
218.08148	1.8
218.11769	28.6
226.08629	1.2
227.11790	0.7
228.10219	17.2
229.13364	1.7
230.11765	1.1
234.11313	3.4
241.09831	1.1
243.11345	1.1
244.09833	2.7
245.12915	1.6
246.11256	27.1
254.08182	0.7
255.11237	2.0
256.09760	1.3
257.09195	1.0
269.09250	0.9
271.10788	4.9
272.09177	4.3
273.12311	3.5
274.10785	3.1
282.07791	0.6
284.00586	0.6
287.10291	7.7
289.11804	9.6
290.10175	1.3
291.13492	1.4
299.10199	6.1
299.19995	0.8
317.11304	27.9
335.12366	18.7
335.22641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	31.7
57.03431	3.4
69.03417	6.2
70.06600	9.5
70.31065	2.2
70.31388	4.6
70.98130	9.8
71.04980	2.0
71.95281	2.2
72.08150	6.2
73.02885	2.8
73.06554	2.0
74.97584	1.9
81.03434	2.6
84.04507	3.5
84.08151	3.1
84.96042	2.8
85.02920	8.8
85.93180	1.7
86.09707	2.3
87.04467	2.1
88.32130	1.6
88.99155	4.8
91.05482	3.0
97.02898	6.3
98.97588	19.8
101.00893	26.8
103.02476	2.0
108.08147	1.9
110.97563	2.2
113.00858	11.1
115.02435	5.1
116.98618	9.2
119.01934	42.5
119.04983	2.6
120.08123	17.1
123.05554	4.8
126.06655	2.5
126.24562	1.6
127.02447	2.2
128.98615	5.4
129.03966	4.3
130.06519	7.2
131.01913	35.6
131.05565	13.8
133.03462	8.0
134.99684	3.3
137.00806	2.5
137.02965	3.9
137.05978	7.9
138.05467	3.0
138.06441	2.0
143.01913	79.7
143.03040	3.8
145.03534	11.5
146.99634	6.0
147.03316	1.8
147.04276	3.0
147.05045	2.0
149.02994	4.4
149.06602	13.2
154.08559	1.8
154.96552	3.0
155.01912	40.8
155.05530	5.3
156.02667	2.8
157.03442	5.5
157.07533	2.2
158.99620	6.3
159.05003	7.1
161.02966	98.6
163.04167	2.0
165.00754	9.0
171.04984	2.8
172.97633	10.4
173.02972	33.5
173.06621	40.9
174.06947	1.8
175.04526	2.7
177.00807	3.6
177.06078	6.1
184.04538	2.8
185.06618	50.4
186.06807	2.0
187.08107	9.0
190.98683	17.3
191.07608	15.8
197.02982	2.3
197.06648	3.6
199.08221	3.8
201.06032	2.5
203.02190	2.6
203.03995	12.2
203.07672	24.3
205.00148	6.1
208.99677	2.5
209.06615	3.7
213.04253	2.1
215.07657	17.3
217.09187	3.6
218.98196	3.3
219.01750	2.5
220.02840	8.4
221.00986	2.6
221.02950	26.7
221.05089	33.7
223.01225	5.6
227.07701	6.1
232.99680	16.8
233.08829	2.8
234.98938	2.3
237.02858	4.9
238.03941	5.2
239.02065	3.6
239.04137	4.5
244.58052	6.6
245.02992	4.4
245.05093	4.2
247.01315	2.7
251.00793	9.1
257.08752	12.8
261.02435	2.2
263.04117	5.1
273.08264	2.5
275.00757	4.1
275.03491	2.2
275.09787	68.3
279.03418	2.6
293.01764	5.8
293.10831	100.0
304.07242	1.9
304.10876	1.8
309.05075	1.9
309.08551	2.3
316.12347	3.3
317.12830	2.1
325.60580	3.3
335.11923	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.05512	14.2
57.03450	1.5
58.06601	1.8
60.61258	0.9
67.05511	8.4
69.07075	6.5
70.06588	5.4
71.57004	1.4
72.08158	27.3
79.05506	7.4
80.05009	1.2
81.07063	11.2
82.06586	6.0
83.08626	2.3
84.08151	1.6
85.06552	1.1
91.05475	6.0
93.07054	9.8
94.06586	8.0
95.08607	9.0
96.08127	2.1
97.06516	1.7
98.06063	21.2
98.98489	1.2
105.07050	4.9
106.06490	1.3
107.07359	2.1
107.08601	6.4
108.08133	6.0
109.10173	3.7
110.09651	1.7
117.06995	1.8
119.08592	4.0
120.08138	6.1
121.08892	1.6
121.10146	4.1
122.09666	5.5
123.11797	1.1
124.11247	2.6
126.09168	1.3
131.08585	2.2
133.10144	3.3
134.09650	5.4
135.11717	2.7
136.07594	1.6
136.11221	25.2
140.10716	3.1
145.10103	1.1
147.11725	1.2
148.11218	3.1
149.13248	1.3
150.12811	2.4
154.12265	2.5
159.11723	2.1
161.13245	1.7
162.12781	2.3
168.13968	1.5
174.77441	1.1
178.88828	1.0
182.15475	1.1
190.15985	0.9
261.21283	1.0
274.21716	1.1
284.20099	1.5
291.23376	1.2
302.21118	7.9
302.24817	4.7
306.24323	2.0
334.23740	6.6
334.27386	100.0
334.31088	30.0
335.27698	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98187	1.1
51.63097	1.1
53.03939	1.9
55.01849	1.5
55.05517	6.1
57.03430	3.2
61.02940	2.2
69.03441	6.5
70.06590	2.4
70.81918	2.5
71.04991	4.1
71.06911	1.0
72.08141	2.8
79.05499	5.5
79.25887	0.9
81.03402	3.1
81.06646	1.6
81.07066	20.5
83.08620	7.2
84.04491	2.7
84.08121	1.8
85.02435	1.1
85.02909	14.5
85.06561	5.0
86.09702	1.8
87.04488	1.2
91.03952	1.4
91.05453	2.3
93.07067	1.5
94.73391	1.0
95.04987	1.8
97.02895	5.9
97.05247	1.4
97.06525	1.2
98.06072	2.1
98.09674	3.1
98.98454	1.7
99.08071	2.6
102.03765	1.1
108.08112	4.1
109.02827	1.2
109.06533	18.5
110.06007	1.8
111.08120	1.2
120.08102	1.2
124.07596	2.2
126.09159	50.1
127.03934	2.9
127.06621	1.7
127.07561	24.1
127.09512	1.5
128.01097	1.0
136.07526	1.6
137.05977	1.8
145.04945	2.5
153.01823	2.8
154.08640	66.1
155.07040	40.7
165.23625	1.0
171.04326	1.2
172.09697	100.0
173.09935	1.3
208.13121	1.0
217.30472	1.1
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	Unknow
Peak:m/z	Relative Intensity
51.02361	1.1
53.03941	3.9
54.19072	1.0
55.01876	2.0
55.05265	1.3
55.05515	18.8
57.03425	2.3
57.07070	3.8
65.03947	2.4
67.05511	34.9
69.03431	3.7
69.07075	16.7
69.07658	1.1
69.35487	8.1
70.06590	1.4
70.90579	0.8
71.04993	1.9
72.08154	6.0
77.03869	1.3
78.04742	1.1
79.05498	52.4
81.03421	1.2
81.07063	44.8
83.04998	5.3
83.08619	7.9
85.02898	1.6
85.06547	2.6
91.04898	1.6
91.05481	37.3
93.07048	71.4
95.04978	7.3
95.08613	58.5
95.09053	1.0
95.09238	1.8
97.02902	1.9
97.06554	4.7
97.10156	4.5
98.09691	2.1
98.98470	13.5
99.04428	1.5
101.06010	2.5
103.03932	1.5
103.05443	2.6
105.07037	82.5
106.04193	1.0
107.04951	4.0
107.08598	100.0
108.08903	1.0
109.06534	6.9
109.10159	26.7
111.04478	1.6
111.08089	8.5
113.06012	0.9
113.09641	3.0
115.05462	1.6
117.07016	8.1
119.04946	1.9
119.08587	54.3
121.06539	4.6
121.10149	43.1
123.04438	3.6
123.08085	3.3
123.11691	8.9
125.06004	2.0
125.09622	6.8
128.06242	2.7
129.05476	2.0
129.06990	5.0
129.09033	1.1
130.07755	1.1
131.08569	18.8
133.06467	3.7
133.10129	35.3
135.08038	8.4
135.11707	25.4
137.06003	6.4
137.09605	2.2
137.13245	2.1
139.07578	2.3
141.12761	1.0
142.07784	3.4
143.08528	7.2
144.09338	1.2
145.06474	1.4
145.10138	22.9
147.04393	2.0
147.08060	3.0
147.10493	1.4
147.11691	26.3
149.05940	2.3
149.09621	1.7
149.13260	28.2
151.07530	2.7
151.11186	3.0
153.05499	4.6
153.07161	0.9
153.09135	4.8
155.08572	1.5
156.09373	2.5
157.10153	8.9
159.08113	1.6
159.11700	19.5
160.12465	1.3
161.09566	2.7
161.13258	9.8
163.07596	1.8
163.11218	2.1
163.14868	4.4
165.09149	4.4
165.12688	1.7
167.07024	9.4
169.10172	1.3
170.10950	1.5
171.11700	12.1
173.09639	2.2
173.13274	8.8
175.11209	2.8
175.14836	7.9
176.98878	1.2
177.09120	2.4
177.12814	1.3
177.16380	3.6
179.10660	2.9
179.14339	1.1
181.08659	1.5
181.10147	1.2
183.11699	1.6
185.09654	1.6
185.13266	9.0
187.11203	2.1
187.14841	6.2
189.09067	1.1
189.12802	2.5
189.16400	22.1
191.10695	4.2
193.12259	2.6
195.10127	1.1
199.11180	2.0
199.14824	4.1
201.16374	2.2
203.10809	1.6
203.14293	1.1
205.12222	2.0
207.13870	2.2
209.11717	2.7
213.12759	1.6
213.16333	1.0
215.17960	1.4
217.12163	4.3
219.13867	2.0
221.11655	1.3
223.13326	2.3
227.06950	1.2
227.17924	2.8
229.19574	7.7
231.13768	4.0
231.21060	2.4
235.13304	4.0
237.14873	2.0
241.19510	10.8
249.14857	2.6
251.18050	1.6
259.20615	2.9
263.16516	1.2
269.19009	3.6
287.19998	6.1
288.09991	2.4
305.21082	12.1
315.19681	1.7
315.23456	1.1
333.13522	1.3
333.20615	14.6
333.24387	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60590	1.6
53.03944	4.0
54.89449	1.3
55.01874	3.3
55.05515	17.6
57.07083	2.9
59.47559	1.3
65.03944	3.9
67.05173	2.1
67.05510	31.5
69.03422	4.5
69.07082	14.7
69.35461	5.0
69.35884	7.7
69.49077	1.4
71.04996	3.4
72.08147	5.9
79.05070	2.7
79.05503	49.2
81.03437	1.5
81.07062	39.0
83.04967	5.8
83.08642	8.8
85.06539	2.6
87.04999	1.4
91.05486	35.1
93.07049	65.0
95.05000	8.8
95.08615	54.5
97.02885	1.8
97.06537	3.0
97.10155	3.2
98.09669	2.3
98.20776	2.7
98.98461	10.4
101.06009	3.0
103.03963	1.5
105.07037	76.8
107.04945	3.6
107.08601	100.0
109.06531	7.3
109.09466	2.2
109.10159	27.5
111.08112	8.0
113.06109	1.7
113.09621	1.9
115.05502	1.4
117.07044	7.9
119.08591	50.3
121.06528	3.9
121.10155	41.3
123.04421	2.8
123.08067	5.0
123.11690	10.9
125.05993	1.8
125.09647	6.1
128.06253	3.5
129.06999	6.0
130.07762	3.3
131.08562	16.1
133.06467	4.1
133.10138	33.9
135.08040	5.6
135.11710	25.5
137.05995	5.6
139.07518	2.9
142.07739	2.5
143.08548	9.4
145.06480	1.7
145.10126	22.1
147.04306	1.7
147.08058	4.3
147.11707	25.3
149.05980	2.1
149.09644	2.1
149.13268	29.4
151.07529	1.8
151.11230	3.0
153.05441	3.5
153.09082	4.8
156.09360	1.9
157.10120	8.0
159.08054	1.8
159.11726	17.6
160.45386	1.4
161.05951	1.7
161.09564	3.3
161.13274	9.8
163.07574	2.5
163.11116	2.0
163.14809	4.8
165.09109	2.7
167.06984	5.6
167.08310	1.7
169.09923	1.4
171.11719	9.1
173.09656	3.0
173.13303	10.0
175.11240	3.5
175.14827	6.8
177.09105	3.0
177.12682	1.7
177.16322	3.5
179.10658	3.0
185.09660	1.4
185.13281	10.0
187.14822	4.4
189.12674	2.9
189.16376	18.8
191.10669	4.5
193.12280	2.3
199.14796	6.1
201.16350	1.8
203.14258	2.1
205.12219	4.5
209.11670	3.7
213.12773	1.6
217.12265	5.3
227.18019	1.9
229.19498	5.1
230.20297	1.8
231.13814	3.1
231.21069	3.0
235.13158	2.4
241.19456	10.0
249.14804	2.8
259.20551	3.6
269.18912	5.3
287.20099	5.9
288.10025	1.9
305.21054	11.3
315.19495	2.2
333.08591	3.0
333.12808	2.0
333.20581	13.9
333.24173	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	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91147	0.4
61.47551	0.4
68.68291	0.5
69.07048	0.6
69.53335	0.4
70.73612	0.9
72.08142	1.4
79.05492	0.7
81.07047	0.8
84.08153	0.5
91.05476	1.0
93.07024	0.7
98.09699	0.5
98.61044	0.5
98.98483	2.8
105.07025	1.2
107.08576	0.8
109.02933	0.5
124.23132	0.5
127.70761	0.4
133.10188	0.5
141.07640	0.4
142.04507	0.4
147.70572	0.5
181.38710	0.4
193.05032	0.9
247.13091	3.7
296.76041	0.4
302.24121	0.4
315.19360	9.5
333.20383	100.0
334.20578	1.4
334.23798	1.4
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
55.05521	0.7
63.12890	0.5
65.19238	0.5
67.05491	0.6
69.07070	0.6
69.99051	2.4
72.08158	2.6
79.05492	1.3
81.03376	0.6
81.07064	0.7
91.05481	1.0
93.07069	0.8
95.08588	1.4
98.09692	1.0
98.98468	12.2
100.98878	1.1
105.07011	1.2
107.08677	0.5
119.08598	0.9
126.28320	0.5
131.08582	0.7
135.07999	0.6
137.42511	0.5
145.10110	0.9
145.15659	0.5
147.11604	0.7
153.05417	0.7
159.11607	0.7
169.08746	0.5
176.98988	1.3
223.45137	0.7
235.12943	1.4
261.14764	0.9
275.19928	0.6
302.23901	0.7
315.19254	0.8
333.20367	100.0
334.20670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26850	0.2
53.03926	0.3
54.08815	0.2
55.05510	0.6
56.05014	0.2
60.04507	0.6
67.05503	0.4
68.05009	0.8
69.70116	0.3
69.80848	0.6
69.81232	0.6
70.06598	3.5
72.05360	0.2
72.08128	0.6
74.02431	0.4
74.18409	0.3
75.16126	0.2
76.80726	0.3
79.05494	1.7
79.61790	0.2
80.05025	0.2
81.07065	2.3
84.04509	0.3
85.02886	0.4
86.09705	2.3
87.05593	0.3
91.05487	1.2
93.07021	1.0
94.06551	1.1
95.04967	2.9
97.06546	0.4
98.06036	0.5
98.98460	1.3
100.07619	1.7
105.07033	3.4
106.06551	2.4
107.07323	0.7
107.08605	1.6
108.08115	0.9
111.20635	0.3
114.05560	1.3
116.06226	0.3
117.07021	0.6
119.08562	0.8
120.08096	1.9
121.08900	0.6
121.10110	1.0
122.09690	1.8
124.07583	0.4
128.06219	0.5
128.07097	4.1
129.06956	0.7
131.08614	2.9
132.08081	0.7
133.08849	1.7
133.10114	0.9
134.09671	1.9
140.07068	0.4
142.08672	0.3
145.10135	0.3
146.09651	1.0
147.10434	0.3
148.11218	17.3
149.12016	3.0
150.12752	0.3
152.07086	1.2
157.10149	0.4
161.09612	1.1
164.07066	1.0
166.12317	1.4
168.10219	0.4
173.12923	2.5
175.48808	0.3
176.10649	0.3
178.08638	2.1
179.09395	0.9
189.12538	0.3
191.14278	0.5
192.10204	4.8
192.97636	0.3
194.11777	100.0
195.12090	0.9
201.12404	0.6
210.11226	0.4
314.21109	2.2
332.08347	0.5
332.13245	0.4
332.22229	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	332.222
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
53.03955	2.1
55.01872	3.4
55.05513	2.9
56.05023	0.8
63.78876	0.4
65.03939	1.0
66.61798	0.4
67.05508	13.9
68.05011	1.7
68.56529	0.4
69.07083	2.4
70.02946	0.6
70.06585	2.7
70.85017	1.2
72.08146	0.4
73.06550	0.4
77.03915	0.5
79.05496	15.4
80.04999	1.8
80.08347	0.4
81.03409	1.6
81.06641	0.6
81.07062	7.0
82.02929	0.5
82.06569	1.9
83.08609	1.2
84.04510	0.9
84.08136	0.9
85.06535	1.1
86.06065	0.8
86.39491	0.4
88.91940	0.4
91.05482	8.8
93.05795	0.5
93.07048	9.6
94.06564	8.0
95.04974	2.3
95.07325	0.5
95.08620	3.4
96.04464	0.9
96.08130	12.5
97.06550	0.7
97.10154	0.8
98.06042	0.6
98.98461	5.6
99.08111	0.5
103.05463	0.6
105.07026	5.2
106.06570	2.0
107.04948	6.4
107.08592	4.2
108.04489	0.7
108.08128	2.3
109.05250	1.6
109.06506	0.9
109.10153	1.1
110.06059	0.6
112.07613	3.9
117.06993	2.2
118.06518	1.7
119.08598	3.0
120.08114	10.6
121.06493	1.5
121.10130	1.5
122.06036	4.7
122.09669	0.6
123.08063	0.6
124.07592	0.9
129.07021	1.0
130.06470	0.5
131.08536	1.5
131.09418	0.5
132.08078	1.5
133.06503	0.9
133.08888	1.6
133.10112	1.8
134.05992	0.7
134.09634	1.4
135.11716	2.0
136.07578	33.4
137.09596	0.5
138.09138	1.0
143.08560	1.1
145.10179	2.2
146.09657	2.2
147.08037	0.4
147.10449	1.0
147.11684	1.5
148.07579	16.1
148.11211	0.5
149.08397	4.5
150.09134	2.5
156.08130	0.5
157.08730	0.5
158.09590	1.2
159.08049	0.5
159.11771	0.8
160.07593	1.4
160.11200	1.5
162.09123	2.1
163.11168	4.5
170.09691	1.4
171.10387	0.7
171.11745	1.1
172.11281	0.6
174.09177	2.5
175.09866	0.6
176.10773	1.4
177.12744	0.6
184.11070	0.7
188.10728	0.9
189.11273	0.4
189.12796	0.9
202.12210	0.5
225.89943	0.4
272.20071	3.7
282.18549	2.0
296.17053	0.5
300.19577	42.1
301.20035	0.7
302.21133	0.8
304.22699	2.3
314.21378	1.0
332.22202	100.0
333.20001	6.6
352.46024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.222
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
53.52636	0.4
54.91837	0.4
55.05503	1.6
57.07079	2.4
59.04998	0.6
67.05501	1.6
68.05025	2.8
69.07060	1.3
69.49512	2.8
70.06596	15.2
71.05006	0.7
71.35471	0.4
79.05501	2.2
80.05012	0.7
81.07058	1.9
83.08625	0.7
84.08141	0.5
85.06539	0.6
87.72463	0.4
91.05490	4.1
93.07051	4.3
94.06570	0.6
95.08614	1.8
96.08117	2.0
97.06504	0.6
98.06061	1.0
98.98462	1.2
100.07619	6.6
105.07037	7.2
107.08592	5.8
108.08121	3.0
109.06578	0.5
109.10143	0.8
114.05545	2.8
114.09127	0.6
115.05441	0.5
116.07091	1.1
117.07029	4.1
119.08588	5.1
120.08092	0.9
121.06489	0.4
121.10145	1.9
122.09669	2.1
128.06223	0.8
128.07091	7.7
129.07018	1.2
131.08571	14.3
133.10127	8.2
134.09644	0.8
135.08046	3.9
135.11707	1.4
140.07060	0.9
140.10710	0.6
142.07742	0.8
142.08678	6.5
143.08568	4.1
144.09375	0.8
145.10121	5.7
146.09662	0.5
147.11673	1.8
147.89392	0.4
148.11226	1.6
148.83838	0.5
151.06290	0.8
154.08638	4.5
155.08537	0.5
156.09338	0.5
157.10136	3.7
158.10951	2.9
159.11684	3.1
161.09592	1.1
161.13210	0.6
164.07083	0.6
168.10208	18.9
169.10237	0.9
171.11688	2.7
173.13283	11.3
175.11263	0.4
175.14803	0.9
178.08647	6.4
180.10175	0.6
184.12508	1.6
184.86491	0.4
186.12784	0.8
188.14333	1.1
189.14677	0.4
191.14331	0.6
192.10223	1.0
194.11777	7.4
199.14874	4.5
201.16444	1.3
202.15886	0.5
208.86592	0.4
212.14496	0.5
217.15877	3.3
232.13361	1.5
233.14095	1.5
234.14839	0.9
246.14984	0.8
248.16487	1.2
254.18903	0.5
258.14941	1.3
272.16608	0.6
272.19913	1.2
273.17188	1.1
276.15955	1.2
284.16525	1.4
286.21460	0.4
298.18243	0.5
299.18903	0.6
302.17496	7.7
314.21255	3.0
317.19910	2.5
332.22208	100.0
333.22604	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	332.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01859	1.1
55.05501	0.6
56.96576	1.3
57.02983	0.5
57.03427	2.0
61.02929	3.4
65.03931	1.6
67.05514	3.0
69.03435	10.5
69.93983	2.3
70.06602	4.6
71.01342	0.8
71.05001	1.1
72.08164	2.1
73.02923	2.6
79.05499	1.5
81.03419	3.3
81.07066	1.0
82.06573	0.8
84.04498	0.8
84.08157	1.6
85.02908	15.2
86.09710	4.0
87.04464	1.8
91.05466	0.6
93.05791	0.8
95.05022	0.7
96.08094	0.8
97.02885	6.5
98.97565	0.7
99.04472	1.3
101.00874	1.1
106.06557	4.1
108.08126	100.0
109.02883	2.0
115.02482	0.7
115.03983	0.6
119.01958	0.7
122.06045	0.5
123.06815	4.2
124.07601	15.6
127.03918	5.2
129.03990	0.7
130.08633	0.6
131.01936	1.0
133.03481	2.7
134.06033	11.4
134.06999	1.0
136.07588	14.1
137.08365	0.7
141.04063	0.6
145.03537	1.0
145.05009	2.0
150.09140	1.4
152.07079	63.3
153.07506	0.8
154.08647	1.8
155.01871	0.8
156.70306	0.6
157.03452	0.9
157.13374	0.7
159.05069	1.2
161.03116	0.8
161.05586	7.3
161.55688	1.6
170.06085	4.8
170.08084	6.9
170.56166	0.8
171.05034	0.9
174.06107	0.6
175.04599	1.0
177.06120	1.2
183.04999	1.4
195.07214	0.8
197.05382	0.8
198.06148	1.6
201.51393	0.6
203.03918	0.7
205.05594	0.6
216.07141	0.6
219.07222	3.0
220.07050	0.6
220.18770	0.7
220.57193	0.8
231.07130	1.7
236.07628	0.6
239.80981	0.5
242.08228	3.2
251.08549	2.0
267.07764	0.6
314.12378	37.6
315.12662	1.4
321.10400	8.7
322.10522	1.2
332.13446	49.0
333.13962	1.4
339.11499	1.2
350.13077	3.3
351.13748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
50.65767	1.9
55.05517	14.3
57.03425	7.3
57.07079	100.0
59.57763	2.1
59.95186	2.1
67.05509	27.5
69.07071	19.8
69.80225	11.9
70.71030	2.2
70.96657	2.3
71.08636	81.5
75.04486	5.9
79.05492	3.0
81.07060	42.6
83.08623	30.8
85.10190	38.6
88.66076	2.0
89.06052	3.8
91.05502	2.3
93.07027	4.6
95.08614	58.2
97.10175	15.2
98.98470	70.6
99.11684	2.0
101.05920	2.1
103.07597	2.3
105.07059	3.1
107.08566	2.8
109.10176	30.2
110.59985	1.9
111.11720	5.5
121.10135	2.6
123.11707	14.4
137.13239	5.1
150.50404	1.9
151.14809	4.1
160.36971	1.9
165.16359	3.9
174.99287	2.8
176.98949	4.6
180.53290	2.0
191.14307	1.9
205.37003	2.1
221.22760	2.8
222.62816	1.9
225.80266	1.9
239.23703	20.8
240.34947	1.8
257.24805	9.4
270.83524	2.2
287.65891	2.3
313.27402	69.3
331.22641	2.9
331.26328	3.6
331.33783	10.4
353.15256	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.0
56.96572	2.5
57.03440	4.6
61.02920	3.3
65.03941	3.1
67.05508	9.9
69.03433	11.1
69.07056	4.1
70.06589	9.4
71.53951	2.7
72.08158	8.8
79.05481	10.6
80.05016	2.9
81.03426	6.6
82.06580	2.9
84.04498	10.4
84.08154	12.1
85.02914	18.6
86.06082	3.3
86.09711	55.8
87.04474	4.3
88.03997	15.1
90.05623	2.2
91.05488	8.5
93.05834	2.4
95.04980	22.9
96.08106	3.7
96.69276	1.9
97.02893	13.7
97.06596	2.2
98.06022	2.7
98.97592	4.1
98.98472	51.3
99.04478	2.4
100.02228	3.6
102.05542	6.7
102.58274	2.3
106.02935	2.0
106.06555	7.2
107.04970	15.4
108.08123	100.0
109.01091	3.1
109.02885	63.7
109.03594	4.5
110.06082	2.8
110.07201	3.4
116.98667	2.7
119.04931	7.0
121.02878	3.3
122.06020	7.4
123.02620	6.3
123.04453	23.2
123.05563	26.5
123.06795	6.5
124.07597	20.1
127.02106	4.2
127.03927	3.8
128.07101	4.1
129.10239	5.0
130.05026	5.7
130.06519	2.5
130.86586	2.6
133.02837	11.1
134.06036	9.8
135.02667	11.6
135.04398	19.1
136.06206	28.3
136.07538	14.6
137.00587	5.4
139.02228	3.2
140.07098	6.7
147.02667	3.0
147.04428	5.0
148.06070	8.3
149.00569	7.9
149.02336	5.1
150.09177	2.2
151.02139	19.6
151.03934	16.7
152.07079	90.7
154.08630	4.5
155.01622	23.4
157.13365	29.5
163.02094	11.3
163.03905	10.3
164.04710	11.4
165.00049	24.1
165.05508	20.9
166.00963	3.2
166.08656	2.8
167.01636	4.7
167.03400	3.7
167.07072	7.0
168.06543	4.0
169.03198	5.2
170.08142	27.4
172.08713	2.3
179.01653	23.3
179.03255	3.9
181.03185	8.1
183.01134	73.4
185.12881	9.7
191.01704	5.2
192.04185	2.7
192.99535	16.9
195.01093	4.8
197.02684	70.3
201.08717	2.9
205.03235	6.6
207.01176	14.2
209.02695	8.3
210.05240	30.7
211.00620	54.4
211.52061	2.3
223.04333	3.1
225.02048	16.2
225.03632	2.4
225.04007	3.9
243.03236	75.2
245.15154	2.9
251.03667	10.1
269.05026	2.8
286.07452	2.3
297.04285	8.6
299.03268	2.1
314.06873	5.2
314.12372	44.3
315.05331	53.8
332.08231	16.8
332.13440	64.5
340.72290	2.3
344.22394	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	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.22663	0.4
53.03938	0.8
56.35066	0.5
57.03431	1.3
61.02920	1.8
61.53881	0.5
62.75284	0.5
65.03929	1.2
67.05514	2.6
69.03438	5.7
71.54484	0.7
73.02916	1.7
79.05485	0.8
80.05003	0.7
81.03403	2.0
81.07081	0.8
84.08141	0.7
85.02911	6.1
87.04464	0.9
91.03943	0.5
93.05824	0.6
96.08157	1.2
97.02898	3.0
99.04485	0.6
106.06564	4.3
107.05014	0.4
108.08121	100.0
109.02913	0.7
109.08468	0.6
123.06815	4.0
124.07600	13.6
127.03922	1.0
134.06021	11.1
136.07585	13.7
137.08369	0.7
150.09106	1.6
152.07072	66.7
154.08638	1.4
162.15279	0.5
165.03880	0.7
170.08121	8.6
170.09357	0.6
183.05051	1.2
196.09622	0.6
226.85721	0.5
252.05367	0.5
314.12338	39.2
332.13403	49.1
333.13898	0.5
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
55.05513	1.1
55.89606	0.5
57.07071	0.7
67.05504	1.6
69.07076	1.2
70.61535	1.0
72.08158	1.9
79.05524	1.2
81.07044	2.1
83.04986	0.6
87.04459	1.0
91.05502	1.7
93.07042	1.7
95.04989	1.0
95.08612	1.0
98.20755	0.8
98.98474	100.0
100.98903	2.9
101.06010	1.2
105.07046	1.2
107.08595	1.4
109.06517	0.9
109.10181	0.6
116.99490	2.8
117.07054	1.3
119.08601	2.1
121.06485	0.6
121.10136	1.0
125.78066	0.6
129.07016	0.7
131.08556	0.9
133.10168	0.7
140.01106	0.8
145.10124	1.7
153.05409	0.8
156.09312	0.5
157.10197	1.3
159.11700	0.8
161.09659	0.6
171.11650	0.7
174.99210	3.9
175.01620	2.1
176.98944	7.6
185.13318	0.9
189.11256	0.9
190.11588	0.7
252.99863	0.9
257.26813	0.6
269.30386	1.6
299.09247	0.6
312.03070	0.8
313.17923	0.8
313.21701	1.3
331.18826	52.7
331.22391	2.3
331.30225	2.5
331.34058	6.6
332.18961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2245
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
69.57894	0.6
70.09013	2.9
74.67409	0.6
81.07096	0.8
81.37786	0.6
93.07056	1.1
95.08621	0.7
98.98475	29.3
100.98895	0.8
105.18555	0.6
131.08603	0.6
145.10136	1.8
174.99254	0.7
176.98976	2.0
222.44882	0.6
331.22458	100.0
332.22745	2.4
354.03635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05517	11.6
57.03432	8.4
57.07081	100.0
67.05180	2.1
67.05511	27.7
69.07072	17.5
70.06594	3.7
71.08637	72.4
75.04478	2.9
78.81786	1.5
81.07066	36.2
83.08621	25.6
83.81940	1.5
85.09718	2.8
85.10192	39.6
88.07636	5.1
89.06044	2.6
93.07037	2.1
94.83493	1.4
95.08615	58.4
96.79284	1.6
97.10171	14.1
98.98472	34.7
99.11713	2.6
102.09158	1.6
109.10167	26.3
111.11718	4.3
123.11713	11.2
125.13267	2.8
137.13301	4.7
151.14801	2.0
170.53717	1.5
176.98981	3.0
215.33643	1.7
221.22707	3.5
239.23705	18.7
257.24628	9.0
313.27396	63.0
329.91071	1.5
331.34036	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.0
57.03433	7.6
57.07081	100.0
67.05173	2.1
67.05511	26.6
69.07074	20.2
69.24495	1.7
69.43673	13.1
70.06599	2.3
71.08637	72.2
75.04452	3.6
79.05507	2.3
81.07064	38.8
83.08625	27.5
84.28642	1.6
85.10185	38.7
88.07671	2.1
93.07050	2.0
95.08616	54.9
97.10161	15.3
98.98475	43.7
99.11716	4.5
105.07022	2.0
108.46626	1.9
109.10164	28.2
111.11729	2.7
115.34174	1.7
122.21663	1.7
123.11713	14.1
125.13278	2.1
137.13222	5.3
143.64969	1.7
151.14816	3.1
176.98994	2.3
182.09653	1.7
221.22610	2.5
239.23712	20.0
257.24786	6.3
271.61832	1.6
313.27399	56.3
314.27475	2.4
331.33908	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	331.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
52.69688	0.4
53.03928	0.5
55.01849	1.1
55.05493	1.5
56.05023	0.9
57.03425	1.1
58.99586	2.7
60.73959	0.5
65.03931	1.0
67.05491	3.3
68.05016	1.3
68.13831	0.4
69.03421	1.2
69.07072	6.7
69.48860	3.5
70.06598	3.3
72.08150	2.6
72.15633	0.4
74.00659	0.6
76.02228	3.1
79.05479	3.1
80.05002	1.5
81.07059	10.5
83.06100	5.2
84.04530	3.2
84.08134	3.6
85.02875	0.8
86.00630	1.5
86.09699	2.4
86.99034	1.5
87.02693	3.1
87.04476	0.8
89.03917	1.4
91.05482	1.4
93.05754	0.7
93.07071	0.7
94.06580	15.6
95.04980	2.3
95.08578	1.5
96.04489	1.0
96.08138	0.6
97.02883	0.7
97.06533	1.1
98.06040	0.7
98.98470	56.5
99.04359	0.4
99.08096	0.6
100.98915	0.8
105.00083	1.0
105.07040	0.8
106.06564	0.9
107.04929	0.7
107.08582	0.9
108.08097	1.9
109.02819	0.6
110.05483	0.4
110.06059	4.4
112.07580	2.1
116.04984	3.7
116.67706	0.4
116.99506	2.1
117.05661	0.5
118.06579	0.6
119.04913	0.6
120.04436	2.2
120.08065	1.3
122.06034	26.5
123.04444	1.3
123.08063	0.9
124.07549	1.6
127.03922	0.7
127.05840	0.6
129.06604	9.4
129.10219	1.0
130.04996	1.2
130.06654	1.6
130.08549	0.5
134.05998	1.2
135.04454	0.8
136.07596	0.6
137.05945	0.8
139.03889	0.6
140.07074	41.5
141.07890	2.5
144.04451	8.5
146.06015	16.4
146.06885	0.3
147.04404	0.9
147.06837	0.6
148.03944	0.7
148.07599	6.9
149.09567	0.4
151.07587	0.5
154.08678	0.9
156.08438	4.3
157.06735	2.5
162.05510	4.6
163.03917	1.3
163.06332	0.6
165.05481	0.5
169.04926	0.7
169.07547	0.6
172.03940	25.5
174.05533	1.9
174.09526	2.6
174.99219	1.8
175.08673	0.7
176.98907	3.4
181.06406	0.6
187.05365	0.9
190.05000	100.0
191.05539	1.0
192.06554	8.2
200.13898	0.7
203.07281	0.7
210.11205	1.6
233.05823	2.9
239.12091	0.5
240.10266	0.5
242.11780	1.0
246.93396	0.4
247.05908	0.5
250.14359	0.9
253.09111	0.5
257.12759	0.5
285.12436	1.0
286.10895	1.9
313.11838	5.6
314.11438	0.5
321.11218	0.4
331.13071	23.6
332.13184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1176
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
55.01842	0.8
55.05505	0.8
65.03931	1.0
67.05516	0.8
68.99796	1.1
69.03429	0.6
69.82308	4.1
79.05477	1.2
88.14108	0.7
89.34241	0.6
91.05479	1.7
94.04202	1.5
95.04970	1.5
98.98471	35.0
98.99119	1.7
100.98887	1.1
103.05443	1.3
105.03394	2.1
105.07037	1.2
107.04976	1.1
116.99499	0.7
119.04945	1.8
123.04466	1.7
124.05230	1.1
132.05655	0.8
133.02858	20.7
136.05202	1.1
137.06004	5.2
138.03185	0.9
138.06760	2.7
139.07501	1.5
143.08578	0.7
145.06516	0.7
145.10118	1.7
147.04405	2.9
148.05199	2.5
149.06001	1.4
150.03134	30.9
151.07535	3.7
152.06168	0.9
153.05484	5.0
153.06990	2.7
157.06522	1.2
158.07217	1.1
163.07544	24.4
165.05496	31.8
165.06926	2.1
168.05772	1.0
169.06406	1.6
170.07266	1.0
171.08098	1.0
174.99254	1.1
175.03955	1.2
176.98917	2.3
177.05399	1.0
178.02628	12.2
179.03209	0.8
179.07037	1.4
181.06477	6.2
182.07265	5.1
183.08047	2.3
184.08752	0.8
185.06023	2.3
189.09113	1.5
191.07005	1.1
193.04976	66.7
194.05345	1.3
195.04492	0.8
196.05142	1.3
197.06032	2.7
198.06816	1.7
199.07547	1.7
201.09146	1.2
207.06493	6.3
209.06017	2.8
210.06757	3.5
211.07553	6.3
212.08321	2.8
213.05495	7.1
214.06244	2.5
214.99954	0.7
221.05972	0.9
222.06767	2.2
223.07692	0.9
225.05473	2.2
225.09052	6.3
226.06184	1.5
227.07045	6.0
228.07825	2.1
229.08636	1.0
237.05498	2.6
238.06293	2.2
239.07062	5.7
240.07881	4.9
241.04991	8.4
241.08603	2.7
242.05705	1.9
243.10176	2.6
244.07329	1.3
250.06386	1.9
251.07033	1.1
252.04330	1.0
252.07680	1.0
253.05014	1.6
253.08627	7.8
255.06526	7.5
256.07281	8.5
257.08160	5.7
266.05756	2.0
267.06503	4.2
268.07254	6.5
269.04459	2.1
269.07999	1.3
270.05453	0.7
270.08774	3.2
271.09644	22.1
272.10159	1.2
273.07516	2.3
281.08084	3.8
282.08847	1.9
283.06116	1.2
284.06757	4.9
285.07596	4.2
285.11206	3.2
295.09494	1.1
298.08160	1.3
299.09149	100.0
300.09775	7.3
301.07025	1.4
303.12265	26.6
313.10721	11.2
316.09393	1.7
318.12311	0.8
331.08267	0.7
331.11783	18.5
331.18771	10.3
331.22552	1.6
347.62762	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1176
Annotation	Odoricarpan
Peak:m/z	Relative Intensity
53.03934	0.4
55.01852	0.4
55.05497	0.8
57.66322	0.3
65.03939	1.1
67.05482	1.0
69.07060	0.5
70.06569	0.3
70.23061	0.3
71.04976	0.3
71.47041	0.3
71.55375	0.6
79.05492	3.0
81.07037	1.4
82.04215	0.4
83.04965	0.3
91.05498	1.8
92.06259	0.5
93.07042	0.9
94.04170	0.4
95.04963	0.8
95.08593	0.6
97.06535	0.3
98.98470	37.1
99.04417	0.4
100.98911	0.8
103.05458	2.0
105.07049	1.5
107.04939	1.3
107.08594	0.9
109.06495	1.1
110.03657	1.8
113.06011	0.3
115.05432	0.7
115.26588	0.3
116.99506	0.7
117.06998	1.3
119.08572	1.1
120.05702	1.0
121.10134	0.4
123.73301	0.4
125.05986	1.7
126.09992	0.4
127.03921	0.5
131.04916	1.2
131.08543	0.9
133.06451	0.4
133.10123	0.5
135.08035	0.4
137.06000	1.3
138.03127	12.8
140.01015	0.4
145.06454	0.7
145.10110	2.4
147.04393	0.6
148.05200	0.7
150.03122	0.9
153.05472	100.0
154.05843	1.0
159.04398	0.6
159.11745	0.5
163.07501	1.6
164.04686	0.9
165.05531	1.9
165.06731	0.4
167.07011	1.6
171.11652	0.4
174.99239	1.3
176.04684	6.0
176.98914	3.3
177.05437	0.7
179.07037	8.7
191.05391	0.7
191.07036	9.4
193.04945	0.5
196.21902	0.3
211.07567	0.4
221.06030	0.4
239.17830	0.4
243.10251	0.6
252.99625	0.4
253.08582	0.4
257.19211	0.3
267.06677	0.6
271.09839	0.7
276.37531	0.3
281.08249	0.6
299.09152	0.9
303.08890	0.3
313.10696	0.5
331.11835	20.3
331.18765	12.8
331.22665	1.6
332.12311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1174
Annotation	Odoricarpan
Peak:m/z	Relative Intensity
53.03933	0.4
55.01869	0.3
55.05494	0.3
59.43435	0.2
65.03951	1.2
67.05504	0.3
69.91541	0.2
70.80701	0.7
79.05498	2.7
80.91216	0.2
81.03441	0.3
81.07065	0.9
82.04208	0.5
91.05495	1.6
92.06265	0.8
93.03413	0.5
93.07063	0.3
94.04186	0.3
95.04980	0.5
98.98473	16.1
100.98885	0.5
103.05482	1.8
105.03394	0.5
105.07023	0.7
107.04943	0.8
107.08584	0.4
109.06510	0.9
109.96599	0.2
110.03682	2.0
115.05455	0.4
116.99486	0.3
117.07022	1.4
119.04948	0.7
119.08570	0.4
120.05744	1.6
121.02878	0.3
125.06013	2.3
127.03934	0.6
129.07027	0.3
131.04947	1.1
131.08551	0.2
133.10211	0.2
135.08089	0.5
137.05991	0.7
138.03131	11.9
145.06497	0.3
145.10104	0.9
147.04419	0.8
148.05211	0.7
148.99323	0.3
150.03073	0.5
151.03981	0.4
153.05475	100.0
154.05824	1.0
159.04446	0.7
159.11740	1.1
163.07556	1.8
164.04678	0.7
165.05496	1.7
167.07042	1.5
174.99223	0.8
176.04715	5.6
176.98953	1.5
177.05440	0.8
179.07063	7.6
183.08147	0.3
190.79973	0.3
191.07043	8.7
211.07524	0.3
239.07169	0.4
243.10159	0.3
252.99622	0.3
267.06589	0.5
271.09805	0.6
281.08127	0.4
294.19159	0.3
299.09189	1.4
313.06793	0.3
313.10706	0.8
331.11780	21.3
331.22321	0.5
332.12189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	Tricin
Peak:m/z	Relative Intensity
53.03955	0.2
55.05515	1.2
65.03951	0.3
66.04716	0.2
67.05499	0.5
68.99785	0.7
69.03429	0.2
69.07071	0.5
70.06559	0.4
70.54071	0.6
71.04981	0.6
72.08150	0.4
79.05476	0.6
81.07043	0.6
82.06574	0.4
83.04982	0.5
83.08615	0.5
84.08144	0.3
86.09695	0.4
91.05476	0.6
93.07057	0.5
95.01286	0.2
95.04964	0.5
95.08583	0.4
96.02119	0.2
97.02898	0.2
97.06524	0.9
98.98468	15.4
99.53729	0.2
99.54428	0.3
100.07592	0.2
100.11260	2.1
100.98902	0.2
105.03381	0.4
105.06975	0.3
107.08590	0.5
109.06510	0.3
110.03659	0.3
111.04434	1.1
115.05434	0.2
116.57938	0.3
116.99486	0.3
119.04948	0.7
119.08568	0.4
123.00772	0.7
123.04450	0.6
128.06177	0.3
129.06982	0.3
131.05017	0.3
133.02864	0.4
135.04428	1.2
137.05975	0.8
138.03142	0.4
139.03903	1.1
141.07011	0.4
144.05754	0.3
145.06503	0.3
145.10146	0.3
149.02339	0.7
150.03128	9.2
151.03857	0.4
151.07489	0.2
152.01051	1.2
153.01826	0.6
153.05472	0.9
153.06749	0.2
155.04918	0.5
155.08571	0.2
159.04425	0.3
159.08035	0.2
161.02478	0.2
161.05934	0.3
164.04686	1.0
166.02658	0.3
167.03409	17.2
168.05760	0.3
169.01326	0.7
169.06419	0.5
171.04384	0.8
172.05243	0.6
174.99251	0.5
175.03915	0.3
175.25496	0.2
176.98961	1.2
177.05479	0.3
179.03407	0.5
182.15459	0.7
183.04443	0.7
184.03677	1.4
184.05135	0.4
185.05887	0.4
185.13190	0.2
186.06847	0.3
187.03821	0.2
187.07500	0.5
189.05510	0.3
190.04973	1.1
191.03395	2.5
194.01849	0.2
197.05922	0.6
198.06792	0.3
199.03902	0.5
199.18130	0.2
200.04724	1.6
201.05446	0.5
205.05086	0.2
209.16483	0.3
210.14920	0.7
211.03951	0.8
211.07593	0.3
212.04695	0.8
213.05409	0.5
214.06216	1.1
215.07092	0.8
217.04935	1.2
224.04655	0.2
225.05510	0.3
226.06296	0.2
226.19102	0.4
227.03384	0.9
227.06918	1.3
228.04166	4.0
228.07553	0.3
229.05003	0.6
229.08644	0.2
231.06525	1.8
232.03609	0.3
232.07304	0.3
239.03320	0.5
240.04222	0.3
241.05049	1.4
242.05750	7.2
242.08260	0.4
243.06564	5.4
245.04478	1.1
254.05753	0.8
255.03009	0.5
255.06454	0.3
256.03699	1.5
257.04489	0.2
257.08014	1.0
258.05222	0.3
259.05942	0.5
267.02960	0.4
268.03766	0.3
269.04779	0.2
270.05246	3.1
271.05984	5.5
271.09241	0.3
273.03931	0.5
275.09174	1.9
282.05252	2.3
283.02359	0.8
283.05984	1.1
284.03101	1.6
285.07608	4.9
287.05603	0.3
287.09143	0.3
288.06229	0.4
298.04709	1.4
299.05530	4.6
299.08981	0.4
301.03470	0.4
303.08319	0.2
313.03561	0.4
313.07068	3.4
315.04956	0.8
316.05768	13.4
326.27933	0.2
331.08124	100.0
332.08408	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	Morelosin
Peak:m/z	Relative Intensity
55.01863	0.6
55.05508	0.6
55.07425	0.3
56.48516	0.3
65.80972	0.3
67.05493	0.8
69.03425	0.7
70.95436	0.4
70.95769	0.4
71.04990	1.6
72.05322	0.4
72.08134	0.4
78.43147	0.3
79.05513	0.4
81.03420	0.6
81.07044	0.3
84.08145	0.6
85.02898	0.5
86.08874	0.3
86.64014	0.3
90.55816	0.3
91.05471	0.6
93.07036	0.4
95.04996	0.4
95.08601	0.4
97.02883	0.9
97.06525	0.6
98.98473	11.0
99.04445	0.3
105.03347	0.3
107.08609	0.4
109.02893	0.5
111.08084	0.5
113.09672	0.3
119.04948	0.6
119.08586	0.4
121.06527	0.4
123.00792	0.3
123.04478	0.6
124.01583	0.5
125.02338	0.4
125.09627	0.4
127.03905	0.7
133.02892	0.4
135.04422	0.6
137.02345	1.6
137.06004	0.5
138.03127	0.9
139.03926	0.4
139.07513	0.4
147.04395	0.5
147.11630	0.3
148.05287	0.3
149.02374	2.2
150.03131	4.9
151.00230	0.4
151.03879	0.5
152.01057	4.2
152.06149	0.3
153.01854	4.3
153.05479	0.6
153.06935	0.3
155.04947	0.3
158.07269	0.4
161.02351	3.3
164.04680	2.5
165.05484	0.3
166.02675	0.6
167.03412	8.9
168.05638	0.5
170.02168	1.1
171.04442	1.1
172.05188	0.7
174.99219	0.6
175.03946	0.8
176.98973	0.5
183.04433	0.7
184.03720	0.4
185.05963	0.7
186.06784	0.6
189.05351	0.4
191.03365	1.4
193.04935	0.5
196.05150	0.5
197.06000	0.6
199.03918	1.2
200.04688	1.6
201.05469	0.3
209.11780	0.3
211.03973	0.7
212.04726	0.8
213.05464	1.1
214.06261	0.9
215.07101	0.7
216.04131	0.4
217.05009	1.5
225.05400	0.4
226.06291	0.3
227.03447	1.4
227.07085	0.7
227.10400	0.3
228.04166	7.2
229.04866	0.4
238.02664	0.3
239.03380	1.6
240.04184	0.4
241.04916	1.4
242.05754	4.7
243.06450	2.1
245.04414	1.2
252.04146	0.7
253.05078	0.3
254.05721	0.8
255.02925	2.4
255.06383	0.4
256.03677	3.3
267.02957	0.6
268.03568	0.6
270.05252	7.4
271.05975	3.9
273.03885	1.0
275.09097	1.4
282.05203	1.2
283.02414	0.9
283.05847	0.5
284.03146	3.7
285.07544	3.9
288.06238	0.7
295.07196	0.4
298.04730	3.5
299.05457	1.9
299.08798	0.5
301.03296	1.1
313.07446	2.7
315.05029	0.6
316.05780	29.1
316.08545	1.1
317.06174	0.4
331.08130	100.0
331.18912	1.5
331.62170	0.3
332.08481	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0815
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
55.01870	0.3
55.05498	0.6
55.50551	0.3
57.03428	0.3
67.05486	0.7
68.99798	0.5
69.03426	0.5
69.07057	0.5
69.43203	1.6
71.04999	1.2
72.05335	0.4
72.08123	0.6
77.24775	0.2
77.87655	0.2
79.05472	0.6
81.03384	0.4
81.07037	0.8
83.71254	0.2
91.05451	0.5
93.07060	0.5
95.04960	0.5
95.08582	0.5
96.02045	0.4
97.06520	1.7
98.98472	16.4
100.98878	0.5
105.03402	0.4
105.07039	0.5
106.55369	0.3
106.97891	0.3
107.04966	0.3
107.08556	0.4
109.06518	0.6
111.04436	1.4
116.02386	0.2
116.99484	0.4
118.85986	0.2
119.04942	0.6
121.06506	0.3
123.00812	0.5
123.04414	0.5
125.57298	0.2
129.07037	0.4
133.02922	0.5
133.10182	0.4
135.04385	0.9
137.05995	1.1
138.03166	0.3
139.03900	0.9
145.02847	0.3
147.04359	0.3
149.02333	0.9
150.03139	8.9
151.03941	0.6
151.07532	0.3
152.01041	1.2
153.01823	0.6
153.05476	1.3
153.06842	0.4
155.04919	0.4
155.06073	0.4
157.06470	0.3
161.05986	0.6
164.04691	0.7
165.05515	0.8
165.06895	0.4
166.02686	0.3
167.03418	15.6
168.05629	0.4
169.01358	0.7
169.06451	0.3
169.07744	0.4
169.10039	0.3
171.04422	0.7
172.05186	0.5
173.06070	0.4
174.99266	0.8
176.98921	0.9
177.05482	0.3
179.03387	0.6
183.04460	0.8
183.08051	0.4
184.03709	1.2
185.05898	0.3
186.03137	0.3
186.06749	0.4
187.07568	0.4
189.39091	0.3
191.03383	2.0
193.04962	0.4
193.07628	0.4
195.05545	0.8
197.05922	0.5
198.06729	0.3
199.03931	0.6
199.90224	0.3
200.04691	1.3
201.05457	0.6
209.05801	0.5
211.03835	0.5
212.04630	0.9
213.06830	0.4
214.06256	1.2
215.07018	0.9
217.05005	1.4
221.07185	0.5
225.05360	0.4
226.06352	0.4
227.03474	1.3
227.07072	1.2
228.04187	3.8
229.04878	0.4
231.06570	1.8
232.07167	0.3
239.03238	0.4
239.08133	0.3
240.04071	0.4
240.10190	0.3
241.04953	1.5
241.08644	0.4
242.05716	6.6
243.06531	5.2
245.04488	1.4
254.05730	0.8
255.02876	0.6
255.06429	0.3
256.03702	1.6
257.08173	1.0
258.05124	0.5
259.05994	0.6
267.03036	0.3
267.07486	0.4
270.05280	3.5
270.08044	0.5
271.05954	5.2
273.03946	0.9
275.09171	1.6
277.06464	0.3
282.05246	1.6
283.02795	0.4
283.05984	1.0
284.03134	1.4
285.07614	5.0
286.10837	0.4
287.05649	0.4
288.06244	0.5
295.07040	0.7
298.04764	1.0
299.05600	4.9
299.09103	0.9
300.05945	0.3
301.03409	1.5
313.07645	3.8
315.05042	1.5
316.05792	15.9
316.08737	0.6
317.06079	0.4
331.08136	100.0
331.11328	4.1
331.19464	1.5
332.08383	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01871	2.3
55.05513	22.7
56.05029	2.1
57.03439	1.6
59.04984	0.8
60.04516	2.3
67.05510	7.6
67.48327	0.6
68.05034	1.5
69.03430	6.2
69.05807	0.7
69.07072	5.4
69.90812	3.3
70.02945	1.1
70.06597	7.5
71.04995	97.1
72.04525	1.3
72.05300	0.7
72.08150	0.7
79.05499	11.4
80.05041	0.8
81.03424	2.1
81.07064	7.1
82.06568	1.2
83.04984	1.8
83.07373	1.0
83.08619	8.3
84.08141	4.7
85.05270	1.0
86.06071	2.8
88.04003	2.3
91.05475	3.3
93.07047	5.8
94.06568	1.1
95.04968	1.4
95.08620	1.7
95.61612	0.6
96.08129	6.6
97.02897	1.6
97.06525	1.1
97.10182	10.3
98.06088	4.0
98.21446	1.4
98.98471	23.2
98.99121	1.2
101.09684	0.7
102.05515	0.8
105.07034	1.5
106.06555	1.4
107.04961	1.1
107.08592	8.0
109.02882	0.7
109.06532	1.2
109.10165	1.0
110.06014	0.8
111.08109	3.5
112.07620	2.7
114.05608	0.9
114.09164	1.0
117.07026	2.0
119.08616	0.8
123.08029	1.5
124.07613	4.2
125.09620	5.5
135.08064	6.3
137.05978	1.1
140.07069	1.9
142.08641	1.0
153.09125	2.6
158.08141	3.1
166.42445	0.8
168.06558	2.2
189.61586	0.8
208.05246	4.5
217.04900	1.6
236.04701	1.6
239.07158	0.7
245.04456	2.9
254.05627	1.2
254.17540	11.6
257.04483	0.8
268.15585	1.0
269.08121	1.6
273.03998	2.2
287.05591	0.9
287.09030	0.7
300.02509	0.7
301.03461	3.2
315.04987	4.3
315.08670	5.3
316.05789	13.6
316.09210	1.4
330.11078	6.1
330.19116	100.0
331.08133	21.1
331.11395	0.9
331.19385	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	330.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05262	0.5
55.05518	6.7
56.05031	0.9
57.05821	1.1
60.04519	0.4
67.05511	0.9
69.03439	0.9
69.07080	2.0
70.02959	0.4
70.06594	4.5
71.04998	0.4
72.08160	100.0
73.08488	0.4
74.06071	0.6
79.05505	0.7
81.03438	1.1
81.07067	1.1
82.06597	0.3
83.05001	0.6
83.08610	0.5
84.04498	1.1
84.08150	0.9
85.02920	0.8
86.09715	7.1
88.04005	1.4
91.05502	0.8
92.51351	0.3
93.07041	0.6
94.06583	0.4
95.04974	0.7
95.08624	0.7
97.02923	0.7
97.06550	0.3
97.10153	0.4
98.98476	19.8
100.07634	0.5
102.05553	0.7
105.07024	0.7
107.04958	0.6
107.08592	0.6
109.02895	0.4
109.10177	0.4
111.11761	0.3
112.07616	0.5
114.05592	0.4
116.07128	0.3
116.99531	0.6
119.08595	0.5
120.06612	0.9
120.08121	0.6
121.06506	0.4
122.05996	0.5
123.08099	0.3
124.07580	0.4
130.05005	0.4
131.08594	0.4
132.10229	1.6
133.10210	0.4
136.07605	0.6
137.05951	0.5
138.05457	0.4
140.07080	1.3
143.15443	0.4
146.05945	0.5
149.09674	0.5
162.05580	0.4
162.12801	0.4
164.07077	0.3
168.06609	2.0
171.14943	37.0
172.15378	0.3
173.13286	0.5
174.99280	0.8
176.98958	1.0
178.12297	0.4
185.16479	1.8
190.05136	0.6
191.14369	1.4
193.12303	0.7
199.14433	17.5
208.05251	0.9
211.13403	1.0
213.16032	0.7
223.04340	0.8
224.16537	0.5
231.17075	3.7
240.15950	0.4
252.16008	0.5
269.08084	0.7
270.17123	1.8
284.09589	0.3
284.18680	0.4
286.16568	0.8
312.17984	1.6
315.08734	1.6
330.10864	2.5
330.19339	3.3
331.08215	0.7
331.12802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	18.9
67.05506	28.0
69.07069	14.3
69.34800	43.9
71.08625	7.3
79.05495	21.4
81.07065	22.5
83.05014	8.3
83.08615	8.2
84.04491	5.2
87.04482	5.8
91.05488	14.3
93.07048	21.9
95.04967	6.7
95.08576	11.0
98.98473	100.0
99.08114	10.5
100.11247	9.1
102.88688	5.2
105.07057	6.4
107.08605	13.5
109.10135	7.4
111.08147	5.5
119.08578	8.6
121.10162	7.6
125.09653	11.6
131.08617	6.3
133.10124	7.0
135.11664	5.8
139.11188	10.4
149.13292	6.2
151.11177	5.7
174.99355	4.9
176.98920	6.0
189.11295	9.7
195.13794	14.4
212.16545	5.9
277.21613	22.4
352.86859	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	331.0811
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
53.03908	0.4
55.01834	0.4
55.05462	0.4
55.11808	0.4
57.03392	0.4
57.06992	0.5
63.19826	0.4
64.04847	0.4
67.05431	1.2
68.99724	0.5
69.03391	0.4
69.06989	1.3
69.54096	1.1
69.54511	1.9
72.08088	0.7
79.05410	1.6
81.03332	0.4
81.06994	1.1
91.05444	0.9
93.06960	0.7
95.04918	0.9
95.08538	1.1
97.06445	1.2
98.21472	0.9
98.98466	43.6
98.99080	1.6
100.98821	1.1
105.06953	1.5
107.04906	0.5
107.08562	0.9
109.02843	0.5
109.06469	0.6
109.10079	0.6
116.99467	0.9
117.06924	0.8
119.08505	1.2
121.02785	0.5
121.10046	0.5
124.05100	0.8
125.05963	0.5
127.03865	0.6
131.08453	0.9
133.10106	0.6
134.03618	0.5
137.02303	0.6
137.05922	1.1
138.03018	1.4
143.08521	0.5
145.10130	5.2
147.04349	0.6
151.03804	1.4
153.01884	2.2
153.05460	12.3
157.09987	0.7
159.11621	0.9
161.05898	0.9
161.13318	0.4
162.03004	0.6
165.01692	0.6
165.09071	0.8
167.07043	0.5
168.05672	0.5
169.09952	0.5
170.47125	0.4
171.11600	0.6
174.99236	2.5
175.07397	0.7
176.98940	3.3
182.07246	0.5
185.05870	0.5
189.05334	1.4
191.03264	0.7
199.07457	0.5
211.07457	0.5
211.14835	0.5
213.10683	0.4
217.04945	5.6
228.04124	1.3
229.04865	0.7
230.05745	0.9
245.04475	11.9
257.04355	1.1
257.18945	0.6
262.54291	0.4
269.04562	0.7
270.05139	0.8
271.05969	0.6
273.03906	13.3
285.03918	1.4
286.04776	0.5
287.05496	2.9
288.06183	2.5
298.04568	0.5
299.05460	1.1
300.02600	2.1
301.03436	21.1
302.04056	0.7
313.06973	2.5
315.04996	18.0
315.08655	0.9
316.05771	68.5
317.06100	1.4
331.08121	100.0
331.11472	4.8
331.22733	2.3
331.26151	0.9
332.08545	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
55.05518	12.1
67.05516	21.9
69.07069	9.0
74.45360	1.9
75.95029	1.6
77.83753	1.7
79.05506	20.3
81.07065	14.4
83.04980	3.8
83.08618	5.0
91.05493	10.5
93.07049	15.4
95.04967	4.5
95.08624	10.2
97.06542	3.2
97.10178	13.7
98.20748	6.8
98.98474	100.0
100.98934	2.0
105.07045	10.7
107.08592	14.4
109.10180	11.5
116.99518	2.1
117.07058	3.7
119.08610	7.9
121.10144	5.8
125.09642	11.7
131.08546	2.5
133.10138	8.0
137.09613	4.0
139.11122	2.7
145.10114	3.3
147.11711	5.0
149.09613	3.1
151.11223	1.9
155.10605	2.6
161.13266	1.8
172.13312	3.0
173.11736	5.1
174.99226	7.5
175.89345	1.8
176.98891	4.0
189.11179	12.0
233.57024	2.2
255.93184	2.1
275.20117	13.8
348.62845	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65427	1.1
53.03936	1.7
55.01857	3.0
55.05511	6.9
56.05036	7.9
57.03432	1.1
60.04501	2.4
65.03928	1.4
67.05505	21.4
68.05010	3.6
69.03431	46.3
69.03811	2.3
69.07077	11.7
70.02953	6.7
70.06579	5.1
70.73817	2.9
70.74176	1.5
71.04977	4.2
72.04504	3.8
72.08150	1.3
79.05502	10.6
80.05009	2.6
81.03410	2.4
81.07059	12.8
82.06571	5.6
83.04981	2.2
83.08632	2.4
84.04501	11.8
84.08147	22.8
85.02907	3.3
86.06071	7.1
87.04471	59.3
88.03996	13.5
91.05492	10.1
93.07046	9.4
94.06567	7.7
95.04952	3.8
95.08613	11.8
96.04484	2.3
96.08130	2.8
97.02908	1.9
97.06525	5.2
97.10184	2.1
98.06081	6.1
98.98468	81.2
100.03977	4.1
100.98925	1.4
102.05546	33.0
105.07039	5.8
106.05029	1.5
107.04948	1.4
107.08586	4.8
109.10165	12.4
110.06049	2.0
111.08092	1.3
112.07611	100.0
114.05512	1.3
117.07035	1.8
119.08613	5.9
120.06596	6.6
121.10148	2.3
122.06029	1.4
123.04434	1.0
123.08106	1.3
123.11651	1.4
124.07584	2.1
125.05989	2.0
127.05492	1.2
129.07008	2.1
130.04993	4.8
130.08688	1.4
131.08516	1.3
133.10117	5.0
135.08049	1.5
135.11658	2.4
136.11220	2.2
137.05995	1.3
137.09573	2.5
138.03070	2.2
138.05544	1.6
138.09145	3.3
140.07071	64.4
145.10098	2.8
147.07976	1.7
147.11690	2.4
149.09621	3.5
153.04308	1.8
153.05476	24.2
155.10678	2.3
158.08130	31.0
163.11133	3.1
173.11742	8.4
174.07620	4.3
174.99229	4.4
175.11255	1.5
175.99554	1.6
176.98926	4.2
179.07014	1.7
180.13835	6.5
183.07953	1.4
190.12256	3.7
191.07031	1.6
208.03378	1.7
208.05185	8.7
208.13290	5.1
211.13312	5.8
225.05440	1.3
226.14490	1.4
236.04637	2.4
250.14455	2.1
252.15929	1.3
254.05772	2.2
266.17572	1.4
268.15402	4.5
269.08157	3.8
276.16238	1.4
284.18628	3.4
286.16452	8.5
287.09348	1.2
294.17050	7.4
312.18060	26.3
313.07315	1.2
315.08603	13.9
330.06976	2.4
330.10797	15.7
330.19092	84.3
330.25336	2.1
331.08148	1.6
331.11749	6.3
331.19644	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17936	3.0
55.01860	5.1
55.05517	47.2
56.90020	2.9
67.05515	16.7
69.03420	4.3
69.07071	10.7
70.68900	8.7
76.87230	3.6
79.05496	27.2
81.07065	20.8
82.66994	4.5
83.04966	4.0
83.08624	32.5
91.05499	14.2
93.07066	8.3
95.08598	4.6
97.10180	66.5
98.97858	5.2
98.98479	80.9
105.07009	12.2
107.07868	5.2
107.08600	91.5
111.93640	3.6
119.08599	5.3
123.11726	3.6
124.51352	3.2
125.09637	60.2
133.10130	7.0
135.08060	4.7
145.10136	11.2
147.11699	7.4
153.09021	4.3
171.10196	9.7
174.99254	10.1
181.12173	3.8
189.11240	100.0
227.01390	3.3
256.17838	3.2
257.18936	6.2
275.20047	67.8
293.21420	5.3
326.93155	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01857	1.7
55.05514	23.9
67.05515	12.0
69.03423	3.0
69.07072	15.2
69.81985	7.9
70.26529	1.4
76.37790	1.6
79.05493	14.0
81.07046	11.9
83.04968	2.9
83.08629	19.9
88.01494	1.4
91.05484	7.1
93.07043	8.8
95.08602	8.5
97.10172	28.1
98.20821	2.7
98.98472	100.0
105.07055	8.6
107.04967	2.1
107.08599	33.7
109.06504	1.7
109.10138	2.6
110.10524	1.9
116.99535	2.3
117.06999	1.8
119.08614	4.4
121.10154	3.7
125.09642	23.4
131.08539	1.9
133.10100	5.6
135.08026	2.7
143.10715	2.7
145.10138	3.1
147.11644	5.0
149.09630	2.5
163.32324	1.6
169.72696	1.6
171.10173	2.9
171.11649	1.7
174.99278	5.1
176.98987	2.2
179.14343	1.7
181.12294	2.5
182.25465	1.5
189.11230	36.6
216.35323	1.7
254.13094	1.6
257.19025	4.3
275.20056	26.8
328.25238	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03474	1.7
54.46812	0.6
55.05509	3.2
56.05031	1.0
57.07063	0.7
61.61917	0.6
67.05497	4.2
68.05030	2.4
69.03438	0.7
69.07068	2.0
70.06598	32.3
71.04998	3.9
71.55069	0.7
72.08147	2.6
79.05502	3.6
81.03410	1.8
81.05811	1.6
81.07063	3.9
82.06595	3.4
82.07352	0.9
83.04961	0.8
83.08619	1.0
84.04508	0.9
84.08143	5.2
91.05477	2.2
93.07049	2.8
94.06582	2.8
94.07349	0.9
95.04996	1.3
95.08611	2.5
96.08134	91.7
97.02877	0.9
97.06553	1.1
97.10171	0.9
98.09687	1.4
98.98470	100.0
100.06976	1.3
100.07627	21.3
100.98866	0.8
103.05480	0.7
103.57041	0.7
105.07042	2.0
107.05030	0.9
107.08603	1.6
108.08079	1.1
109.02884	1.6
109.06504	1.4
109.10184	1.6
111.08115	0.7
113.05993	0.7
116.99530	2.4
119.08601	0.9
121.06495	1.1
121.10141	1.1
124.07583	5.8
125.09638	1.0
126.09144	1.8
127.03941	2.4
128.07082	47.2
131.08511	1.2
132.05293	1.1
133.06520	0.9
134.06836	0.7
137.05975	4.6
137.09525	0.6
138.05452	1.5
138.06398	1.6
138.09174	2.5
142.08652	2.3
142.55038	0.7
145.06468	0.7
145.10161	0.7
147.04362	0.7
155.08664	0.7
163.07576	2.0
164.07935	1.9
165.07013	0.8
166.05069	1.1
166.08691	2.0
171.11559	0.8
172.03957	2.1
174.99254	8.3
175.27983	0.7
175.99591	1.5
176.98946	3.4
181.06416	0.8
184.09724	1.0
202.10756	1.0
204.06636	2.9
217.05229	0.8
234.14821	1.1
236.16486	2.5
240.07808	0.7
251.00073	0.7
252.16008	1.6
254.17555	8.9
266.17432	0.9
268.19012	5.3
268.48303	0.8
270.17072	3.2
270.20789	1.5
278.08945	1.9
282.20795	1.3
296.13531	1.0
296.18558	13.3
296.21707	1.2
310.20071	1.2
328.09128	1.1
328.12943	2.2
328.21228	28.0
328.24857	2.2
329.06787	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07871	0.5
53.03942	0.7
55.01873	0.9
55.05513	10.7
57.03442	0.6
57.05817	0.7
66.40704	0.4
67.05505	4.4
68.05843	0.7
69.03437	1.0
69.07076	2.6
70.06602	0.9
71.05000	1.1
71.35019	0.6
72.08159	100.0
72.60071	0.4
79.05497	2.6
81.03420	1.1
81.07063	11.5
82.07406	0.8
83.04969	1.1
83.08614	2.5
91.05482	3.7
93.07031	3.0
95.04962	1.8
95.08617	3.1
97.02918	0.7
97.06580	0.9
97.10197	0.8
98.10521	0.8
98.98472	84.6
105.07057	4.2
106.07338	0.6
107.08579	2.9
109.10181	0.7
116.07110	0.7
116.99513	2.1
118.07886	1.1
118.08669	15.8
119.08569	4.4
121.10130	3.2
123.08080	1.5
123.11707	2.9
124.08447	1.5
125.09605	0.8
131.08562	0.6
133.10149	0.7
137.05933	0.8
145.10123	0.6
147.11693	7.1
153.05499	0.6
161.55844	0.5
163.03883	1.0
165.12685	2.5
174.99231	8.0
175.11156	0.6
175.99603	0.8
176.98941	2.3
202.94110	0.6
204.11043	0.5
210.14961	0.6
229.14360	0.6
235.69102	0.5
236.20110	2.5
251.00163	1.0
252.99785	0.6
264.19608	25.2
274.18839	1.1
282.20667	19.3
282.57214	0.5
292.19815	2.0
310.20224	3.9
328.08701	0.9
328.16174	0.7
328.20358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07871	0.5
53.03942	0.7
55.01873	0.9
55.05513	10.7
57.03442	0.6
57.05817	0.7
66.40704	0.4
67.05505	4.4
68.05843	0.7
69.03437	1.0
69.07076	2.6
70.06602	0.9
71.05000	1.1
71.35019	0.6
72.08159	100.0
72.60071	0.4
79.05497	2.6
81.03420	1.1
81.07063	11.5
82.07406	0.8
83.04969	1.1
83.08614	2.5
91.05482	3.7
93.07031	3.0
95.04962	1.8
95.08617	3.1
97.02918	0.7
97.06580	0.9
97.10197	0.8
98.10521	0.8
98.98472	84.6
105.07057	4.2
106.07338	0.6
107.08579	2.9
109.10181	0.7
116.07110	0.7
116.99513	2.1
118.07886	1.1
118.08669	15.8
119.08569	4.4
121.10130	3.2
123.08080	1.5
123.11707	2.9
124.08447	1.5
125.09605	0.8
131.08562	0.6
133.10149	0.7
137.05933	0.8
145.10123	0.6
147.11693	7.1
153.05499	0.6
161.55844	0.5
163.03883	1.0
165.12685	2.5
174.99231	8.0
175.11156	0.6
175.99603	0.8
176.98941	2.3
202.94110	0.6
204.11043	0.5
210.14961	0.6
229.14360	0.6
235.69102	0.5
236.20110	2.5
251.00163	1.0
252.99785	0.6
264.19608	25.2
274.18839	1.1
282.20667	19.3
282.57214	0.5
292.19815	2.0
310.20224	3.9
328.08701	0.9
328.16174	0.7
328.20358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01857	0.9
55.05508	4.4
57.07092	2.2
59.04984	0.5
65.03919	0.7
67.05173	0.7
67.05505	11.1
69.03419	2.7
69.06723	0.7
69.07069	8.8
69.21559	2.6
69.21990	2.5
70.06590	1.9
71.04978	0.8
71.62394	0.4
72.08143	1.7
73.06561	0.5
77.01598	0.6
79.05491	5.8
81.03413	1.8
81.07056	21.8
83.04982	0.7
83.08614	3.6
84.08136	0.9
84.73544	0.5
85.06537	4.3
89.97183	0.4
91.05475	3.3
92.89631	0.4
93.07042	8.9
94.04182	0.6
95.04979	1.1
95.08611	16.5
97.02876	1.2
97.06528	1.5
97.10178	2.2
98.98466	100.0
99.04482	0.5
99.08095	3.9
103.05465	2.7
105.07030	3.6
107.04936	0.9
107.08592	6.7
109.02892	0.9
109.06506	1.2
109.10158	15.0
111.08078	1.8
111.11701	0.7
112.98149	0.5
115.05424	0.7
116.99510	2.0
117.07018	0.6
119.08558	2.1
120.08066	0.5
121.10152	5.3
122.03625	0.9
122.06019	0.5
123.04433	0.6
123.08121	0.9
123.11703	5.6
125.09612	0.8
131.04912	2.1
131.08569	0.7
133.05638	0.6
133.06490	3.5
133.10146	1.7
135.08031	1.4
135.11685	5.3
137.05981	9.9
137.13264	1.8
137.25574	0.5
139.11160	1.1
145.06514	0.9
147.11688	1.9
149.06017	0.7
149.13278	4.6
151.03905	0.7
151.07581	1.1
151.14838	0.8
153.05470	0.7
154.69675	0.4
161.13263	1.3
163.06248	0.7
163.07520	4.6
163.14890	2.3
169.04950	0.7
171.92575	0.5
174.99236	12.2
175.07491	0.7
175.14845	0.7
177.16406	1.0
189.07042	0.6
189.16336	0.8
191.18010	0.7
195.08099	0.5
203.10680	0.7
203.18039	0.8
205.19592	0.9
206.07397	0.5
207.07854	0.8
217.19600	0.9
223.07872	0.6
224.08434	0.5
235.07622	0.8
249.09229	1.1
251.00046	1.8
253.09305	0.5
261.25858	1.6
267.10083	0.7
273.25726	2.5
277.08685	1.0
278.17587	1.7
279.26755	1.1
281.12848	0.6
291.26877	2.6
295.09839	0.9
295.13129	0.9
295.20245	1.3
299.12918	0.5
309.11404	0.6
309.27930	4.7
327.08630	0.7
327.12384	4.1
327.15814	0.7
327.19073	0.9
327.23004	0.6
327.28973	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01871	1.9
55.05513	7.2
57.03412	1.3
57.07068	2.4
57.33911	1.3
58.35014	1.1
67.05508	13.8
67.27625	1.3
69.07060	5.4
71.29380	2.3
79.05493	9.3
81.03407	2.4
81.07065	16.0
83.04995	1.5
83.08617	3.6
85.06560	2.1
91.05479	14.5
93.07054	32.6
95.04974	34.9
95.08613	22.2
97.06528	7.5
98.98473	100.0
105.07037	23.5
107.08595	17.0
109.06543	4.2
109.10143	8.4
117.07055	8.5
118.01023	1.3
119.08585	26.1
121.06502	7.5
121.10157	14.9
123.08073	4.9
123.11687	3.6
128.06207	3.8
129.07039	4.2
130.07800	1.6
131.08582	12.1
133.10144	22.3
135.08051	4.1
135.11702	5.8
136.85371	1.2
137.09601	1.6
141.07001	2.3
142.07797	4.9
143.08588	10.0
144.09370	3.3
145.09065	1.7
145.10133	19.5
147.08084	2.4
147.11688	6.9
149.09627	2.6
149.13240	1.5
152.06186	1.3
153.07059	2.3
155.08525	4.1
156.09344	2.2
157.10126	15.0
158.10904	1.6
159.08028	1.7
159.11697	15.5
161.09634	5.3
161.13307	2.0
166.07939	1.3
168.09474	1.6
169.10124	7.1
170.10934	3.0
171.11714	7.2
173.13283	7.1
174.99257	11.2
175.14851	9.6
181.10081	3.2
182.10902	1.6
183.11732	4.9
184.12538	1.5
185.13258	5.2
185.86357	1.4
187.11177	2.4
187.14841	6.4
194.11041	1.7
195.11679	2.4
197.13268	5.4
199.14842	4.7
201.16464	3.1
207.11816	2.1
209.13318	3.5
211.14857	2.9
217.15808	3.1
225.16344	2.2
235.14827	3.0
239.14325	1.5
255.89087	1.2
309.22058	5.6
327.23212	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.6
55.05499	10.8
57.07073	4.3
59.04979	2.8
67.05511	25.1
67.96844	2.4
69.07062	11.0
70.25898	10.5
70.79903	2.2
71.69416	2.0
77.03938	2.8
79.05495	18.8
81.03403	3.5
81.07061	23.2
83.04967	2.5
83.08621	6.2
90.99346	2.6
91.05482	28.7
93.06472	4.1
93.07049	57.4
95.04974	63.0
95.08619	38.7
97.06547	12.9
98.98471	100.0
103.05441	3.8
105.07035	45.5
107.08589	24.4
108.89262	2.5
109.06493	9.3
109.10165	16.1
115.05445	4.8
117.07018	11.6
119.08588	44.8
121.06539	12.0
121.10162	21.8
123.08067	8.6
123.11697	5.8
128.06195	3.7
129.06989	8.1
130.07782	4.2
130.12038	2.7
131.08594	17.0
133.10129	33.3
135.08047	5.6
135.11690	8.7
137.09627	4.2
141.06964	3.0
142.07788	6.9
143.08594	13.6
144.09312	6.7
145.10135	33.7
147.11674	9.5
149.09622	3.7
152.06236	12.5
153.07010	6.5
155.08546	7.5
156.09334	5.9
157.10146	21.5
158.10902	3.5
159.08022	3.0
159.11691	28.7
160.12384	3.2
161.09595	10.3
161.13228	6.9
169.10156	9.3
171.11693	14.2
172.12308	2.6
173.13298	11.6
174.99216	11.5
175.11258	3.3
175.14807	12.6
179.08702	3.6
181.10178	4.3
182.10901	3.8
183.11674	8.2
185.13162	4.0
187.14816	11.0
193.10132	4.0
195.11682	3.0
197.13281	11.1
199.14853	7.0
201.16479	2.8
209.13164	4.1
211.10944	2.4
211.14790	4.8
213.16431	4.2
215.14290	2.9
225.16357	3.9
233.03592	10.6
251.04596	6.0
253.15828	3.0
291.20898	3.8
309.22095	5.1
327.07831	40.3
327.23181	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	327.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01878	0.8
55.05512	1.8
55.54123	0.4
57.03447	0.4
59.97659	0.5
63.80440	0.4
65.03936	0.5
67.05519	2.8
69.03426	2.1
69.07062	1.6
70.06593	6.1
70.11977	1.0
70.12367	0.7
71.04976	0.5
72.08160	8.8
73.08498	0.6
77.01585	0.4
79.05494	2.8
81.03424	1.4
81.07059	5.9
83.04977	0.8
83.08615	0.8
84.08143	0.5
85.02908	0.5
85.06534	0.5
89.06024	0.8
91.05475	3.1
92.04147	0.4
93.07036	3.5
94.06576	1.0
95.04958	1.6
95.08612	4.6
96.04491	1.0
97.02885	1.5
97.06518	0.8
98.98469	100.0
99.08111	0.5
103.05478	3.5
105.07045	2.7
107.04939	1.3
107.08588	2.4
108.04506	1.0
109.02880	0.5
109.06542	1.4
109.10175	3.6
110.02348	0.8
110.06036	1.3
111.08099	0.9
115.05486	0.6
116.99507	1.5
117.07012	0.9
119.04969	0.6
119.08594	1.5
121.06507	1.8
121.10135	1.4
122.03671	1.6
122.06039	7.1
123.04463	0.8
123.11706	1.2
128.06227	0.5
129.07018	0.5
131.04939	4.7
131.08595	0.7
133.06508	5.5
133.10144	1.3
135.08075	2.4
135.11702	1.3
137.02356	0.7
137.05981	17.5
137.09599	0.6
139.07556	0.7
143.08566	0.7
145.06516	1.9
145.10046	0.7
147.08067	0.9
147.11647	0.6
149.05986	0.5
149.09590	0.5
149.13300	0.7
150.09131	0.6
151.07584	1.8
151.11169	0.7
161.06012	0.5
163.07564	9.2
164.07257	0.4
165.09140	0.6
171.08151	0.5
174.09204	0.7
174.99228	13.1
175.00673	0.9
175.07585	1.3
177.05484	0.7
177.12718	0.8
178.12271	1.0
186.14830	0.5
188.10732	1.6
189.09099	0.5
190.12238	0.8
191.74918	0.4
195.13802	1.0
206.11781	2.2
207.08110	0.6
208.13379	1.0
218.11725	0.7
223.07608	0.7
224.12823	0.4
226.14310	0.4
234.06841	0.9
235.07581	0.6
235.11259	0.5
236.12831	5.1
241.14388	1.7
249.09222	0.7
251.00064	1.9
251.07280	0.4
252.07858	0.5
263.10764	1.2
267.10092	0.9
267.21451	0.6
271.12317	0.4
277.08566	1.2
277.19156	1.5
278.17529	17.1
279.17743	0.5
291.26736	0.5
295.09836	1.0
295.13388	1.5
295.20169	24.2
296.20340	0.5
309.07666	0.4
309.13550	1.1
327.11920	2.3
327.15945	0.7
327.19565	0.7
327.24084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05211	0.5
67.05495	0.8
69.03432	1.0
69.73757	2.6
70.06595	2.0
72.08162	1.7
72.76892	0.5
73.06544	1.1
77.01613	0.6
78.64548	0.4
79.05486	0.7
81.03410	1.5
81.07056	0.5
84.04519	0.5
85.02920	0.6
86.09705	1.1
87.04475	2.9
89.06032	97.0
91.05493	1.3
93.07020	0.6
93.61791	0.5
95.04977	1.0
95.08630	0.6
95.36317	0.4
97.02901	1.4
97.06509	0.7
98.98468	100.0
103.05454	0.9
105.07022	0.5
105.83582	0.4
107.04953	1.1
107.07055	1.8
109.06488	0.5
110.07102	0.5
116.99512	1.9
119.04967	1.1
119.08596	0.6
121.02879	0.4
122.03594	0.6
123.04436	0.5
123.08083	0.6
124.07590	1.4
130.08670	0.5
131.04950	1.0
133.06471	2.0
133.08603	42.9
134.04617	1.0
137.05975	4.2
138.05522	1.3
145.02870	0.7
147.04416	2.2
151.03949	0.5
151.09666	0.6
163.07555	2.3
164.07097	0.7
165.05524	0.4
166.04967	0.8
174.99231	11.5
177.05524	0.9
177.11246	7.6
181.12137	0.5
182.04993	2.7
187.05296	0.4
195.12329	0.7
208.02866	4.4
209.02621	0.6
221.13789	1.1
223.07559	0.5
223.32666	0.5
239.14847	1.0
250.99974	1.7
252.44566	0.5
253.08852	0.5
255.06548	0.8
283.17413	0.8
295.13147	0.5
309.14954	0.7
327.08484	1.4
327.12119	1.1
327.19958	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	327.2166
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
55.01862	1.2
55.05512	11.9
57.03421	1.7
59.05003	1.1
67.05505	8.9
68.52262	0.9
68.84132	1.0
69.03426	2.9
69.07059	3.7
70.06589	0.9
70.73720	2.0
70.74062	1.3
71.05013	1.3
73.55365	0.9
77.01589	0.9
79.05492	7.5
81.03420	2.0
81.07065	9.2
83.04961	3.1
83.08626	7.3
84.35318	0.9
91.05472	2.7
93.07043	8.0
95.04973	7.5
95.08614	9.0
97.06515	2.4
97.10180	12.6
98.98473	100.0
103.47245	0.9
105.07032	6.0
106.71388	0.8
107.08617	5.6
109.06512	1.0
109.10143	2.6
111.08058	1.3
112.88013	0.9
116.99454	1.6
117.07020	2.5
119.08584	3.8
121.06467	1.1
121.10139	3.0
123.07189	1.8
123.08077	29.0
123.11686	3.6
125.09639	10.6
131.08527	1.4
133.10114	2.9
135.08018	1.5
137.05983	2.3
137.09567	2.0
143.08598	1.3
145.10150	2.7
147.08067	1.3
151.11237	1.3
153.09116	1.0
157.10175	1.4
159.11755	0.8
163.11160	1.4
165.09192	4.0
169.12202	3.4
174.99234	11.4
187.13289	5.6
189.11238	10.5
201.14725	0.9
211.13211	1.0
223.13216	1.4
251.00008	1.5
255.17493	1.9
263.19922	1.3
273.18488	11.7
291.19592	13.7
309.20709	4.5
327.21115	0.9
346.14194	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1592
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.01862	1.0
55.05491	0.5
55.99382	0.3
58.99611	0.4
65.03939	0.6
67.05496	1.3
69.03425	1.2
69.07059	0.8
70.06594	1.0
72.08163	2.4
75.82315	0.4
76.72958	0.3
77.01599	0.5
79.05489	2.3
81.03408	1.5
81.07063	1.7
83.04960	0.5
84.08131	0.6
85.02940	0.4
86.09721	0.4
89.06020	1.5
90.04720	0.4
91.05489	3.7
93.07040	1.4
94.04179	1.3
95.04956	1.2
95.08603	1.4
97.02893	1.2
97.06544	0.9
98.98468	100.0
99.04460	0.4
103.05471	11.6
105.07034	5.4
107.04951	2.5
107.08582	0.9
109.02903	0.8
109.06501	1.8
109.10150	1.2
111.04449	0.5
115.05437	1.0
116.99507	2.3
117.07021	1.5
119.04952	1.3
119.08543	0.9
121.06512	4.3
121.10192	0.8
122.03651	4.4
123.04423	1.1
123.08058	0.7
127.03950	0.4
128.06210	0.6
129.07008	0.8
129.32278	0.3
131.03925	0.3
131.04926	11.4
133.06497	19.9
133.08597	0.9
135.08069	7.1
135.11688	0.5
136.05194	0.7
137.05980	57.9
138.06316	0.5
140.01083	0.6
141.05452	0.4
143.04944	0.6
143.08542	0.8
145.06482	4.7
145.10104	0.4
147.04419	0.8
147.08043	0.9
149.05986	1.4
151.03937	0.9
151.07542	7.2
152.06203	0.3
153.05472	0.4
155.08560	0.4
157.06497	1.9
157.07558	0.3
159.08049	0.4
160.05289	0.3
161.05945	0.7
162.62891	0.3
163.07549	30.5
165.09125	0.7
166.05075	0.3
166.08665	0.4
171.08060	1.0
171.11752	0.4
174.99239	10.8
175.07568	2.2
177.05441	0.4
181.06453	0.8
187.07564	1.5
189.09111	1.1
191.08521	0.4
194.07224	0.7
195.08125	0.7
202.10716	0.5
203.06940	0.5
203.08827	0.3
203.10670	1.0
205.06487	0.8
207.08058	1.1
209.13394	0.3
211.07382	0.4
217.06367	0.4
217.10051	0.5
220.08801	0.4
221.06105	0.3
221.09474	0.4
223.07518	1.1
224.08310	0.4
234.06725	0.5
235.07526	0.7
235.11145	0.9
235.13226	0.8
239.06905	0.4
239.10876	0.5
245.09605	1.0
247.07405	0.3
248.08226	0.5
249.05473	0.8
249.09137	0.8
251.00082	1.7
251.06924	1.1
252.07867	0.4
256.09665	0.6
263.07037	0.3
263.10632	2.4
265.08682	0.4
267.10239	0.9
277.08463	0.5
283.09607	0.6
295.09735	1.0
295.13235	5.6
299.12714	0.6
309.07651	0.4
309.11182	0.4
327.04739	0.5
327.08725	0.6
327.12277	3.6
327.15894	5.0
327.19815	0.7
327.23074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1593
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03958	0.6
54.21846	0.5
55.01876	1.2
55.05500	0.7
59.44581	0.6
67.05509	1.8
69.03430	1.4
70.06612	0.9
70.60938	1.4
72.08157	1.0
75.37767	0.6
79.05504	3.4
81.03445	0.7
81.07050	2.6
85.02916	1.2
86.09711	0.7
89.06013	0.7
89.94086	0.6
91.05486	5.7
93.07036	1.3
94.04177	3.1
95.04955	1.3
97.02897	1.0
97.06505	0.9
98.98472	87.1
103.05471	20.7
105.07042	8.9
107.04962	4.1
107.08605	0.8
108.08079	0.9
109.06557	3.1
110.09747	0.6
114.50903	0.5
115.05469	2.6
116.99504	2.1
117.07027	2.7
119.04926	1.8
119.08572	0.7
121.06510	7.1
122.03650	6.8
123.04440	1.0
123.08105	1.1
129.06996	1.2
131.04932	23.2
133.06499	34.4
135.08061	13.6
137.05984	100.0
143.04935	1.4
145.06483	9.1
147.04442	1.4
147.08067	2.8
149.05986	1.9
150.12839	0.8
151.07553	12.5
151.13126	1.0
157.06516	3.6
161.05963	0.6
162.06772	0.9
163.07555	53.9
171.08023	1.4
174.99239	11.2
175.07558	3.1
177.09087	1.3
187.07634	1.3
189.09102	1.9
202.07858	0.8
203.10716	1.3
207.08128	0.7
217.10184	0.8
219.08150	0.7
220.08647	0.6
235.07558	0.7
235.11197	2.3
237.09073	0.7
239.11673	0.6
240.17465	0.6
245.09665	1.2
251.00050	0.9
263.10632	4.4
277.08768	0.9
283.17343	7.1
295.13293	10.7
320.17319	0.8
327.12619	1.7
327.15921	10.2
327.19910	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	326.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79112	1.5
55.01862	3.9
55.05495	3.7
60.03705	1.4
67.05515	12.7
69.03435	1.4
69.07060	5.1
70.63126	3.1
70.90987	1.3
71.04993	1.4
72.34393	1.2
78.18156	1.3
79.05483	6.5
80.05839	1.3
81.07056	13.5
85.06517	2.5
91.05485	10.1
93.07024	6.4
95.04951	2.7
95.08575	3.4
98.98470	100.0
99.04443	2.1
105.07047	9.2
107.08602	9.9
109.06532	2.2
109.10155	21.4
116.99510	2.3
119.08606	2.2
123.11710	3.1
127.07579	1.8
131.08521	1.7
133.10133	25.1
135.11725	1.8
151.11194	18.2
169.12259	4.4
174.99234	8.9
263.20105	1.5
273.18561	1.9
291.19437	4.3
326.21936	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	325.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	7.5
57.07064	3.1
64.24496	0.8
67.05505	11.1
69.06728	0.9
69.07070	13.3
70.70053	2.4
75.62504	0.9
79.05492	6.4
80.37372	1.0
81.07063	27.8
83.08619	7.4
91.05485	6.2
93.07046	18.6
95.04964	1.4
95.08612	30.0
97.10146	3.1
105.07034	14.1
107.08599	23.8
109.10161	23.8
111.11715	1.2
116.50638	0.9
117.07014	3.4
119.08585	20.8
121.10145	19.9
123.11710	19.7
124.12044	0.8
125.54710	0.9
129.07019	1.6
131.08577	8.0
131.75502	0.8
133.10141	20.8
135.10664	1.7
135.11700	20.6
137.13245	5.5
143.08569	3.5
144.09358	1.4
145.10135	16.4
145.17874	1.0
147.10652	1.1
147.11702	11.1
149.13261	6.8
151.14810	1.3
157.10143	4.0
158.10858	1.5
159.11705	17.3
161.13274	10.4
163.14821	6.7
171.11743	4.6
173.13274	13.2
175.14841	7.9
177.16418	3.3
183.11789	1.1
185.13260	3.6
187.14825	15.9
189.16370	8.9
191.17949	4.3
191.79729	0.8
199.14859	3.1
201.16394	11.2
203.17970	6.3
213.16388	3.3
215.17947	9.4
217.19449	4.4
227.17897	4.5
229.19507	5.6
229.21652	0.9
231.21124	1.8
241.19536	8.1
243.21097	3.5
255.18788	1.0
255.21039	5.5
269.22650	6.7
282.23355	1.2
283.24237	1.6
297.25626	0.8
325.28897	100.0
326.29169	2.8
332.11032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01860	3.2
55.05272	1.7
55.05514	21.6
57.03431	3.2
57.07077	12.4
59.04988	2.2
60.35167	1.8
61.02909	1.7
64.05310	1.4
65.03956	3.2
67.05169	2.7
67.05508	40.9
67.05869	2.0
69.03427	7.7
69.07078	57.7
70.06589	7.8
70.16473	7.6
70.16811	1.5
71.05004	8.5
71.05334	1.6
71.08627	7.6
72.08157	5.0
79.05496	30.2
81.03425	6.9
81.07064	100.0
83.04983	4.7
83.08617	19.7
84.08142	1.9
85.02889	4.4
85.06553	8.5
89.03905	2.4
91.05490	21.3
93.07052	48.7
95.04977	7.9
95.08615	85.5
97.02911	5.1
97.06532	10.1
97.10177	12.1
99.08083	5.1
101.06026	2.4
103.05445	3.9
105.04547	1.6
105.07037	30.6
107.04976	5.2
107.08606	39.0
109.02869	2.2
109.06531	5.8
109.10163	53.3
110.07160	3.3
111.08092	7.7
111.11732	10.1
115.05453	4.1
115.07615	2.2
117.03297	2.2
117.07040	6.0
119.04966	2.4
119.08595	22.8
121.06528	3.1
121.10156	32.4
122.06052	1.7
123.04478	1.8
123.08096	4.3
123.11715	20.2
125.09602	4.0
127.03915	2.7
127.07575	2.8
127.11255	2.1
129.06992	2.4
130.05031	2.3
131.04932	3.7
131.08563	7.0
133.02858	5.4
133.10141	24.6
135.04419	7.6
135.08073	4.4
135.11700	28.9
137.06009	10.2
137.09608	8.0
137.13252	8.7
138.05443	1.9
139.11192	7.2
143.08528	2.3
145.02812	2.9
145.10121	8.7
147.04378	4.2
147.07983	2.4
147.11693	18.1
148.03957	3.2
149.05992	3.1
149.13269	17.9
151.07550	2.7
151.11195	4.7
151.14812	5.4
153.12741	4.8
155.10648	4.3
157.10139	2.5
159.11736	8.2
161.05977	3.2
161.13297	8.9
162.06737	3.2
163.03938	19.5
163.07594	4.9
163.11195	5.0
163.14883	11.1
165.05562	2.6
165.06854	1.9
165.12801	5.6
173.05972	2.5
173.13281	5.3
175.07489	3.2
175.14851	6.3
177.16389	5.7
181.06511	2.3
186.03177	2.8
187.14806	4.6
189.16380	7.8
190.04916	3.3
191.08237	5.9
191.17979	4.1
195.17491	2.8
201.05466	5.0
201.16388	5.3
203.17947	3.1
205.06494	4.0
207.08130	1.7
207.17410	2.1
215.17955	4.4
219.08032	3.0
222.06799	5.1
233.05945	3.0
236.08138	2.1
237.09171	4.0
249.05510	3.8
250.06256	6.1
251.06929	1.9
253.08685	2.2
259.24194	4.0
265.08600	8.2
267.06326	1.9
271.24182	13.0
272.63464	1.7
277.25211	4.1
278.05875	3.0
279.06686	1.8
283.10614	1.9
289.18152	1.6
289.25287	14.1
292.07257	2.9
293.08130	10.9
293.11014	1.8
295.26312	2.4
297.11243	3.6
307.09589	5.2
307.19519	1.8
307.26309	11.5
325.06863	3.1
325.10733	23.7
325.14359	8.6
325.21356	3.0
325.27472	5.9
326.11050	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	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.89622	2.3
53.03948	4.3
55.01873	3.6
55.05519	21.4
57.03434	4.1
57.07078	19.2
59.65302	2.3
61.35727	2.6
65.03987	2.5
67.05165	4.2
67.05506	48.8
69.03426	5.5
69.07071	49.4
70.06597	5.7
70.20859	8.7
71.04973	6.7
71.08628	8.4
79.05495	32.0
81.03415	11.5
81.07058	90.0
83.04993	3.2
83.08625	21.5
85.02896	5.3
85.79522	2.3
86.05891	2.4
89.03904	3.9
91.05505	22.2
93.06470	5.0
93.07042	54.2
95.04975	6.8
95.08613	100.0
97.02927	2.8
97.06544	5.0
97.10165	10.8
99.04454	2.3
99.08056	3.2
103.05445	2.8
105.07035	32.8
107.04970	4.0
107.08604	41.4
109.02899	3.8
109.06494	5.0
109.10162	58.1
111.08062	6.1
111.11733	6.0
117.03407	5.8
117.07027	7.0
118.81067	2.4
119.08593	28.8
121.02848	2.7
121.10152	36.7
123.08041	2.9
123.11720	21.9
125.09624	2.9
131.08591	11.6
133.02867	9.1
133.10130	30.9
135.04427	11.2
135.08015	3.5
135.11682	21.4
137.06003	13.7
137.09599	6.8
137.13239	6.1
139.11197	5.2
145.02829	8.2
145.10150	12.8
147.11705	16.6
149.09622	2.9
149.13258	16.9
151.11220	5.4
151.14819	2.8
155.10689	4.0
159.11728	8.0
161.13268	11.4
163.03905	55.9
163.07559	3.2
163.11185	2.6
163.14819	9.1
163.37675	2.3
165.12816	4.8
173.05840	3.0
173.13228	7.6
175.14798	9.7
177.16425	5.9
187.14873	3.9
189.16391	5.9
191.08319	4.1
194.07204	3.9
201.05560	3.8
201.16321	4.1
203.17917	2.8
205.06416	6.1
215.17909	4.8
219.08101	3.1
221.06023	2.8
222.06847	4.2
233.06010	4.8
234.94383	2.4
237.09319	3.3
265.08777	5.2
271.24197	25.5
277.25345	5.6
289.25287	17.6
293.08032	10.5
297.11075	4.1
307.09528	2.9
307.26385	11.3
308.06006	2.9
311.83002	2.6
314.13910	2.7
325.10715	22.0
325.14420	9.5
325.27255	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
53.10364	2.1
55.01873	23.4
55.05271	4.3
55.05512	56.0
55.98969	2.4
57.03429	7.6
57.07072	20.3
59.05006	3.1
67.05505	71.0
69.03425	6.2
69.06717	4.1
69.07067	48.7
69.24285	26.8
71.04977	7.6
71.08634	14.2
73.06526	2.4
75.72852	2.7
79.05068	3.4
79.05495	45.3
79.65530	2.3
81.03405	8.5
81.07060	86.6
83.04993	12.8
83.08621	36.3
85.06520	7.8
85.10165	9.7
88.77488	2.3
91.05487	43.8
93.07037	45.7
95.04977	24.0
95.08609	61.7
97.02882	4.0
97.06532	12.9
97.10161	22.1
99.04515	4.4
99.08078	4.8
105.07030	35.5
107.04963	13.4
107.05591	2.8
107.08595	36.6
109.06509	14.8
109.10152	39.1
111.04430	6.8
111.08071	10.2
111.11700	3.7
111.92764	2.3
113.09636	8.0
117.07014	8.6
119.08583	22.0
121.06540	14.8
121.10150	23.2
123.08090	11.8
123.11708	13.5
125.09650	19.9
128.06303	2.4
131.08591	18.3
133.06526	3.0
133.10138	47.8
135.08032	7.8
135.11700	20.5
137.09615	18.8
141.06927	2.7
141.09152	4.3
145.10144	17.2
147.08014	3.7
147.11652	10.1
149.09621	12.3
149.13263	6.9
151.11200	36.7
153.12753	4.9
157.10136	3.2
159.08084	4.0
159.11681	8.8
161.09586	5.9
161.13226	5.6
163.11209	17.1
165.12715	7.0
167.10641	5.9
169.12288	3.2
171.11699	6.3
173.09601	3.0
173.13274	9.5
175.98573	2.6
177.09074	3.3
177.12750	10.5
179.10660	7.5
179.14230	2.7
181.12204	8.7
183.11581	3.2
183.13846	7.1
187.11084	4.0
187.14847	4.5
195.13802	5.3
197.13271	2.4
201.12834	3.0
207.13718	2.9
209.11656	3.9
209.15436	3.6
215.14243	2.9
219.13771	4.2
223.13164	3.3
229.19569	5.7
236.93044	2.4
239.18059	4.7
246.23303	2.4
247.20659	14.7
257.19016	11.8
265.21616	12.5
275.20038	60.4
275.86548	2.4
293.21103	100.0
307.22748	16.9
325.23697	12.3
325.27515	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92318	4.7
55.01878	14.5
55.05517	33.0
56.46629	5.0
57.03447	8.4
67.05514	67.2
69.03423	14.2
69.07073	42.0
70.53536	17.0
71.05002	8.5
79.05507	47.0
81.07066	100.0
83.04985	8.3
83.08624	18.3
86.98666	4.9
91.05492	37.0
91.77059	5.1
93.07047	57.8
95.04974	10.4
95.08617	56.1
97.06536	28.5
97.10185	10.9
105.07053	40.6
107.04971	7.9
107.08588	42.8
109.06532	20.5
109.10161	34.7
117.07048	6.6
119.08595	35.1
121.06512	6.5
121.10141	29.0
123.08086	14.0
123.11724	14.6
125.09639	7.0
129.94719	5.4
131.08560	18.5
133.10136	37.8
135.08095	8.3
135.11702	15.5
137.09665	10.0
139.40460	5.2
145.10130	17.5
147.11703	24.7
149.09639	14.8
149.13258	6.6
151.11357	7.7
157.10091	5.7
159.11734	14.1
161.13269	9.7
163.11180	13.0
165.12813	9.2
171.11792	7.6
173.13188	6.5
176.95802	6.0
193.12163	6.6
235.17088	6.1
257.18994	7.5
263.20078	17.8
275.20071	65.3
293.21143	21.2
297.17337	5.6
307.22873	12.1
320.92618	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	325.2372
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03936	4.3
55.01868	13.5
55.05294	4.0
55.05516	38.7
57.03433	9.9
57.07066	5.4
57.96613	2.9
62.06099	17.8
65.03952	4.0
67.05170	4.7
67.05511	57.4
69.03419	5.8
69.07075	49.9
70.87981	8.4
71.04996	6.9
74.99577	3.8
79.05499	38.8
81.03406	3.6
81.07066	100.0
82.07389	4.0
83.04985	12.7
83.08622	23.3
85.06541	8.5
85.10255	3.6
91.05484	34.4
93.07048	35.8
95.04977	14.9
95.08608	51.5
97.06542	24.5
97.10220	6.6
99.08115	3.5
105.07040	36.9
107.04952	8.1
107.08604	32.1
109.06528	20.1
109.10167	20.9
111.04472	5.2
111.08098	14.0
111.92635	3.1
117.07024	12.2
119.08594	27.6
121.06512	6.9
121.10162	28.8
123.08049	9.9
123.11712	10.8
125.09621	9.2
129.07014	8.1
131.08575	15.0
133.10147	25.6
135.08061	6.0
135.11714	23.3
137.09595	7.4
141.06989	4.7
143.08571	8.4
145.10133	15.1
147.11716	27.9
149.09663	8.2
149.13271	8.2
151.11179	9.2
153.07004	3.9
155.08604	7.2
157.10141	5.3
157.61200	3.5
159.11726	13.3
161.09663	4.0
161.13272	5.7
163.11218	11.7
165.12753	8.0
169.10153	4.3
173.13356	5.5
175.11200	7.8
181.12296	3.8
183.00389	3.6
183.11787	4.7
185.13287	3.5
190.49153	3.2
197.13327	3.8
223.13255	6.7
247.20587	9.1
257.19202	7.6
263.20102	19.0
275.20065	53.1
289.21664	5.1
289.72821	3.1
293.21091	17.2
295.22821	5.2
307.22733	10.6
325.21393	8.4
325.27292	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37344	0.8
55.01868	1.4
55.05515	11.7
67.05502	5.6
69.03429	1.8
69.07075	8.3
69.26380	2.3
69.26803	4.8
71.08633	11.6
73.85751	0.7
79.05493	7.1
81.07065	10.5
83.04977	0.9
83.08614	5.9
91.05487	2.5
93.07051	5.3
95.04993	3.8
95.08604	7.4
97.06535	0.9
97.10177	9.4
99.08104	6.5
105.07034	3.5
107.04951	2.2
107.08601	7.9
108.05771	1.1
109.06545	1.6
109.10151	3.5
111.08049	0.9
117.06989	1.3
119.08577	3.3
121.06509	6.3
121.10152	2.8
123.08141	1.5
123.11724	1.7
125.09631	7.9
131.08578	2.6
133.10130	1.6
135.08060	2.8
135.11697	2.3
137.13235	0.8
145.10114	2.7
147.11679	1.2
149.13188	1.0
151.11192	1.5
153.09093	1.7
159.11734	3.0
161.13251	1.9
163.11256	0.9
164.12000	1.2
165.12804	1.8
167.10637	1.3
173.13307	2.0
175.14873	1.2
177.12721	1.9
181.34775	0.7
187.14845	1.4
189.16437	0.8
201.16333	1.1
203.12796	3.1
203.17926	0.9
210.82457	0.8
229.19579	0.9
237.14871	1.2
255.21013	1.1
269.22415	0.8
275.19971	5.0
275.87741	1.0
293.21127	100.0
294.21350	1.7
307.22696	14.2
307.25974	1.4
325.28885	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	325.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.3
55.01888	15.2
55.05518	55.9
57.03431	11.6
57.07079	14.9
62.06094	12.4
67.05175	5.6
67.05514	83.1
69.03419	7.2
69.07071	51.1
71.04990	8.1
71.08637	7.9
71.55660	3.3
79.05496	46.1
81.03418	7.2
81.07066	100.0
83.04984	15.9
83.08620	36.8
85.02908	6.6
85.06554	9.9
85.10197	6.3
87.04407	2.9
91.05498	39.8
93.07053	63.0
95.04987	32.3
95.08615	62.4
97.02930	2.7
97.06543	15.2
97.10179	15.6
99.08113	4.6
105.07046	44.1
107.04977	14.1
107.08605	56.3
109.06525	17.3
109.10172	52.0
111.04465	3.8
111.08108	8.2
113.09643	5.4
117.06992	12.7
119.08587	27.0
121.06510	14.3
121.10149	26.8
123.08076	11.3
123.11737	19.5
125.09704	12.7
127.07527	3.6
129.06989	4.7
131.08583	16.7
133.10138	55.4
135.08096	6.6
135.11707	23.3
137.09621	13.0
137.13252	3.3
139.11189	4.9
141.06976	3.7
141.09131	6.3
143.08537	5.0
145.10121	20.2
147.04692	3.1
147.11690	11.4
147.65401	2.8
149.09625	12.0
149.13275	7.1
151.11195	51.8
153.09102	3.4
153.12743	4.0
155.08569	2.9
157.10143	5.4
159.08189	3.2
159.11729	13.2
161.13260	7.5
163.11163	16.3
165.12730	6.1
169.10130	3.1
169.12347	3.9
171.11745	6.6
173.13274	9.3
175.11139	3.0
177.12756	9.5
179.10651	13.2
181.12274	7.9
183.11786	5.4
183.13814	21.1
185.13382	3.0
187.11227	4.1
187.14848	4.0
189.16469	3.3
191.10608	3.7
191.14331	5.4
195.13667	3.6
197.13327	2.9
201.16525	3.0
203.12830	3.0
207.13809	3.5
209.11766	3.4
219.13805	4.4
229.14293	2.7
229.19467	5.6
239.18074	6.0
247.20586	20.8
257.19064	18.9
265.21643	11.7
275.20093	74.6
279.68811	2.9
282.75742	2.6
293.21140	76.4
307.22681	27.4
325.23904	8.7
325.28506	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	325.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01874	1.1
55.05506	2.2
56.05032	1.6
57.03437	1.1
59.05003	0.7
59.77333	0.6
61.02919	0.8
61.87872	0.5
67.05505	2.0
68.05025	2.1
69.03436	3.3
69.07063	1.5
70.06593	3.4
71.04688	0.9
72.08156	1.9
72.86068	0.6
79.05495	3.2
80.05003	2.1
81.03430	3.2
81.07055	4.4
82.06576	1.7
82.36718	0.6
83.04987	0.9
83.08624	1.0
84.04041	1.2
84.04512	16.6
84.08134	2.5
85.02908	16.8
86.06062	7.1
86.09731	1.0
87.04475	0.8
89.03911	1.8
90.60706	0.5
91.05484	5.0
93.05770	0.9
93.07059	6.6
94.06565	1.4
95.01334	1.8
95.04974	1.9
95.08620	1.5
96.08139	2.2
97.02888	2.2
97.06551	1.6
98.06061	2.8
102.05547	10.3
103.05464	0.8
105.03407	0.8
105.07018	2.2
105.65856	0.6
106.06544	0.6
107.04977	2.5
107.08572	4.4
108.08121	43.7
109.02872	1.1
109.08917	1.6
109.10194	1.1
110.06049	1.0
110.09692	4.9
112.03959	1.7
113.02390	0.7
114.05553	1.7
115.05470	0.8
116.24905	0.6
117.03363	2.0
119.04956	1.2
119.08572	1.4
121.10171	1.6
122.09696	3.3
123.04433	0.7
123.10448	2.7
123.11756	0.8
124.07555	1.3
124.11241	1.4
126.06925	0.6
127.03956	1.1
130.05014	76.6
133.02872	6.9
133.10123	1.6
134.09662	2.1
135.04419	5.4
135.08058	1.2
135.11703	4.1
136.07611	1.2
136.11218	1.1
137.05989	2.9
138.06389	0.7
138.09164	1.3
142.04976	1.0
145.02858	2.3
145.06555	0.9
147.04425	1.4
149.02362	1.3
149.06003	1.7
149.09647	0.8
150.12773	13.6
151.03914	1.0
151.13536	1.7
152.14352	100.0
153.14734	1.1
154.15956	3.9
158.03659	1.0
159.04462	0.7
161.13239	0.9
163.03920	25.3
163.07544	1.9
164.04175	0.9
164.07088	2.4
165.05548	0.8
165.07039	0.7
173.05998	1.5
175.03914	1.8
175.07478	0.7
176.06253	1.2
177.05463	0.9
177.06929	1.0
178.15942	2.5
181.04945	0.8
186.03157	2.0
190.15959	0.9
191.08255	1.0
193.13364	0.8
194.07315	1.8
196.16980	34.8
201.05489	5.2
205.06468	3.5
210.11369	0.8
219.08119	0.7
221.05965	1.9
222.06815	3.0
225.06581	1.0
233.05946	3.9
234.06689	0.7
235.17996	1.8
236.16589	1.2
237.09164	1.9
237.19591	0.8
247.07475	0.7
249.05463	2.6
250.06282	3.7
261.19540	1.5
261.73126	0.6
263.17682	0.7
264.07843	1.6
264.15979	15.3
265.08582	4.9
266.17517	1.4
278.05746	2.6
279.10284	0.7
279.17892	0.9
281.18616	79.0
282.08707	0.8
282.19092	1.0
283.13568	0.7
283.20157	2.5
289.18253	0.7
292.07272	3.6
293.08145	6.7
294.09033	0.7
297.11224	1.3
307.09769	6.4
307.12790	1.0
307.20154	0.8
308.15225	1.3
308.18610	5.0
310.08420	0.9
325.07465	1.3
325.08609	1.1
325.10992	6.6
325.21234	82.9
326.19403	0.8
326.22137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2012
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
53.03943	6.8
55.01870	15.1
55.05260	4.8
55.05514	60.9
56.65594	2.6
57.03441	37.2
59.14389	2.1
65.03940	4.4
67.05170	4.6
67.05510	67.1
69.03439	12.6
69.07064	27.0
71.04999	9.7
71.55518	4.7
72.08173	4.9
74.70122	2.1
79.05496	60.8
81.03431	12.2
81.07060	40.9
83.04971	14.8
83.08620	27.6
85.06550	6.9
86.09729	12.3
87.04485	3.0
87.10062	6.3
91.05493	36.1
93.07051	39.3
95.01345	5.5
95.04971	32.1
95.08614	21.9
97.02939	3.6
97.06524	39.6
97.10181	38.2
103.87544	2.8
105.03403	2.8
105.07033	36.0
107.04967	26.1
107.08599	31.1
109.02911	4.5
109.06509	20.3
109.10166	28.3
111.04449	5.2
111.08126	7.3
113.06023	2.9
115.05495	2.6
117.07014	19.7
119.08581	30.9
121.06483	18.7
121.10138	11.9
123.04452	5.1
123.08098	12.4
123.11713	2.7
125.05975	13.0
125.09641	37.0
126.18638	2.4
129.07025	4.6
131.08563	16.3
132.10202	3.8
133.06461	5.7
133.10146	17.6
135.08060	29.4
135.11702	5.6
137.05928	3.5
137.09619	20.9
139.07430	2.5
141.89113	2.4
143.08575	8.3
143.10574	3.2
145.06425	6.2
145.10167	12.9
147.08078	8.7
147.11656	13.3
149.09691	7.7
151.11180	5.8
153.05461	7.1
153.09094	4.1
155.08540	5.4
157.10147	7.0
159.08058	92.8
159.11664	4.7
161.05989	4.2
161.09663	9.9
163.03929	3.5
163.07568	12.9
163.11066	4.1
169.10110	3.0
171.11627	3.8
173.09619	6.5
173.13284	5.8
175.07498	3.1
175.11316	3.5
175.14761	3.0
177.09151	5.9
177.12730	2.5
182.07405	2.7
183.11765	3.0
185.09645	8.5
187.14879	3.8
189.09695	4.3
189.11197	21.3
189.12729	3.1
193.12186	4.0
197.13350	3.3
211.11237	3.6
215.14259	6.4
233.15382	24.6
237.14868	7.1
243.17506	8.8
246.00002	3.0
251.16364	7.5
253.15891	21.0
261.18539	4.4
271.16943	41.9
275.20032	17.8
279.21646	3.1
289.17993	100.0
290.18243	3.7
294.12137	2.6
295.20056	2.7
307.09695	3.7
307.19110	58.9
307.22705	6.2
325.10736	6.7
325.14261	4.4
325.20255	27.0
325.28757	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03947	22.0
55.01876	12.1
55.05516	51.4
56.38545	3.6
57.03435	13.1
57.07108	3.6
65.03960	4.9
67.05509	72.6
68.88551	3.8
68.99798	6.8
69.03445	8.4
69.07065	23.4
70.73515	9.0
71.04990	27.4
73.02938	3.3
75.64188	3.1
78.01563	3.9
79.05495	62.4
81.03426	43.0
81.07065	71.2
83.04992	72.2
83.08627	8.5
85.06549	9.3
91.05482	54.9
93.07046	66.8
95.04976	35.0
95.08604	42.7
97.06536	48.0
97.10165	10.0
99.04503	5.8
101.06030	4.5
103.05447	3.9
105.05161	3.2
105.07038	47.6
107.04958	34.3
107.08613	28.9
109.06528	16.5
109.10155	29.7
111.04463	9.9
111.08094	12.2
113.06038	9.8
117.07029	23.6
119.04971	4.2
119.08590	30.9
121.06517	16.7
121.10165	11.9
123.04498	6.0
123.08080	20.9
123.11714	6.2
125.06001	10.6
129.07019	9.4
131.04897	3.5
131.08583	29.2
131.18816	3.4
133.06509	7.2
133.10133	31.9
135.08095	10.7
135.11700	12.1
137.05986	5.8
137.09610	4.1
141.07024	5.8
143.08553	6.3
145.06487	14.3
145.10146	14.1
147.08101	12.6
147.11673	10.0
149.09605	8.4
149.13219	5.4
151.11203	11.0
154.07828	4.0
155.08600	4.5
157.10129	9.7
159.08096	12.7
159.11710	20.5
161.09650	9.4
161.13292	10.4
163.07593	9.8
163.11206	11.3
165.09097	5.3
167.10675	3.5
169.10141	7.9
171.11694	12.1
171.94527	4.8
173.09625	4.1
173.13319	9.6
177.09122	7.4
177.12744	12.0
183.11647	3.5
185.09540	5.8
187.11148	6.1
189.12810	7.7
191.14485	6.3
197.13327	4.6
199.11188	4.4
201.12878	3.4
207.11652	3.5
207.13785	6.8
219.13753	4.5
233.15353	17.0
235.13316	7.3
237.14755	6.7
243.17474	13.1
244.33498	3.4
261.18524	23.0
263.16382	4.9
271.16940	24.0
289.17978	100.0
307.18927	29.9
325.20898	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	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03940	14.0
55.01870	36.4
55.05509	32.3
57.03444	28.0
57.07082	5.1
65.03932	5.3
67.05167	5.9
67.05508	73.4
69.01723	3.0
69.03416	3.8
69.07074	16.9
69.56557	13.7
69.56960	8.0
70.28088	3.1
79.05059	5.3
79.05498	73.8
79.43043	2.9
81.03435	17.4
81.07066	71.3
83.04999	31.8
83.08624	8.1
85.06554	4.8
91.04971	6.2
91.05489	76.1
93.07053	45.9
94.05328	3.1
95.04975	68.4
95.08616	48.3
96.46510	2.9
97.02895	10.3
97.06541	6.5
97.10205	4.4
98.07345	7.8
103.05460	6.8
105.07029	43.5
107.04964	100.0
107.08611	17.9
108.05749	5.5
109.06525	35.4
109.10170	17.3
111.04419	4.9
111.08125	4.0
112.05224	13.1
113.05989	5.0
115.05442	5.7
117.07031	33.0
119.04908	8.3
119.08606	28.4
120.05736	4.8
121.06528	24.6
121.10162	10.0
122.07299	28.0
123.04435	12.1
123.08091	6.6
127.96724	3.1
128.06209	10.9
129.06989	12.7
131.04916	4.0
131.08589	32.6
133.06496	23.9
133.10123	15.5
135.08098	21.3
135.11755	7.2
137.09599	12.2
137.94139	4.1
141.07016	6.0
143.08583	11.2
145.06496	16.9
145.10115	21.4
147.08052	38.3
147.11711	7.2
148.08879	4.5
149.09627	5.1
151.07538	4.4
155.08589	7.0
157.10060	5.9
159.07982	3.5
159.11734	13.3
161.09657	28.2
161.13243	5.5
162.10431	6.0
163.11200	15.5
165.09113	10.9
171.11658	17.4
173.09569	4.3
173.13275	14.3
175.11189	6.3
187.11226	6.4
187.14859	9.3
189.12801	5.9
197.13203	6.7
205.15962	8.8
215.14301	15.1
217.15970	3.9
233.15366	79.2
251.16452	21.3
262.06781	3.9
270.83173	3.6
273.18442	4.7
279.25714	3.9
290.18756	13.2
291.19540	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	325.2011
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.78454	2.7
51.93480	2.3
53.03951	29.8
55.01868	15.2
55.05267	3.3
55.05516	53.3
57.03447	14.9
57.07078	3.1
59.05009	3.7
63.22523	3.2
65.03935	4.7
67.05511	100.0
69.03425	9.4
69.07076	19.2
69.75150	12.3
71.04604	2.8
71.04999	54.9
73.02921	5.0
77.03902	2.4
79.05126	1.5
79.05497	65.1
81.03426	65.3
81.07063	89.8
83.04988	59.1
83.08627	10.9
85.06535	8.1
86.58017	2.6
91.05482	60.0
93.07056	59.5
95.04982	43.9
95.08611	58.8
97.02872	3.4
97.06542	13.4
97.10174	8.1
99.04414	2.9
101.06036	8.1
103.05476	3.8
105.07033	51.1
107.04966	37.5
107.08602	30.7
109.06506	24.5
109.10175	15.3
111.08112	6.3
111.16218	2.7
113.06012	4.8
115.05457	5.0
117.07039	22.8
119.04908	3.1
119.08577	26.0
121.06516	19.7
121.10159	14.6
123.04433	9.2
123.08068	28.2
125.09640	8.8
129.07011	13.0
130.07790	2.7
131.08580	27.8
133.06512	10.7
133.10136	22.1
135.04439	4.1
135.08095	18.4
135.11667	18.9
137.05962	3.7
137.09641	10.0
139.07613	3.7
141.07019	9.4
143.08609	14.1
145.06476	22.2
145.10129	21.4
147.08070	12.7
147.11697	15.5
149.05969	3.3
149.09593	5.2
149.13376	6.5
151.07530	3.1
155.08562	9.0
157.10156	11.9
159.08089	19.7
159.11688	19.8
161.09596	15.3
161.13229	12.5
163.07530	3.3
163.11258	5.9
169.10124	11.1
171.11729	14.8
173.09662	8.7
173.13261	7.7
175.11217	4.5
177.09123	5.2
177.12796	15.1
179.10786	3.3
183.10159	7.0
183.11646	5.5
185.13187	4.6
187.11221	14.5
187.14763	3.5
189.12787	10.9
191.14381	6.2
193.10120	3.0
195.13867	5.9
197.13214	4.0
199.11182	3.4
201.12747	6.5
201.16402	3.6
205.12289	4.6
205.15894	4.3
207.13780	17.7
213.12769	5.0
215.18031	3.2
217.12268	3.9
219.13826	10.7
225.16357	2.8
231.13818	3.8
233.11681	5.3
233.15390	8.7
235.13219	6.5
237.12856	2.6
237.14790	15.4
241.14380	2.7
243.17517	5.9
247.13213	2.6
247.16881	3.1
249.14920	7.1
253.15912	4.7
261.18527	24.3
263.16516	2.9
271.16986	26.6
289.18005	93.7
289.21286	5.1
307.19131	11.8
325.20056	64.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2008
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03938	13.2
55.01869	13.8
55.05513	24.7
57.03443	21.5
59.05009	4.3
59.23446	2.5
62.61544	2.5
65.03955	3.0
67.05178	4.2
67.05508	62.3
69.03423	15.0
69.07064	25.5
70.00687	7.9
70.01082	6.7
71.04979	8.7
79.05494	39.3
81.03423	31.0
81.07063	58.4
83.04983	29.1
83.08605	11.8
83.21535	3.1
85.02911	3.0
85.06565	6.0
88.17133	3.2
91.05482	38.3
93.07044	41.7
95.04976	19.0
95.05473	2.8
95.08601	30.1
97.06539	100.0
97.10159	11.3
105.07036	33.9
107.04957	30.1
107.08589	30.4
109.06511	15.7
109.10160	39.0
111.04444	17.0
111.08075	8.5
113.06007	11.4
117.07018	12.8
119.08566	16.1
121.06489	11.9
121.10115	8.0
123.04430	6.7
123.08102	14.2
123.11678	5.7
125.05988	8.5
125.09653	10.1
129.05463	3.0
129.06995	3.7
131.08546	12.4
133.06442	5.3
133.10141	43.1
135.08055	12.3
135.11662	11.9
135.39458	2.7
143.08531	3.9
145.06482	5.1
145.10144	8.3
147.08026	7.5
147.11656	6.2
149.13245	5.1
151.11166	20.0
155.08536	5.7
157.10086	4.4
159.08075	16.3
159.11716	11.1
161.09612	6.9
163.07530	3.9
163.11160	6.2
169.10098	8.9
169.12276	4.3
171.11674	3.9
174.27187	2.6
177.09116	3.4
177.12727	11.6
187.11139	15.1
187.14825	2.8
193.12242	5.3
195.13803	10.7
205.12170	6.3
215.14456	4.3
219.13640	4.5
221.11726	3.8
223.13304	13.7
225.16376	3.6
233.15392	21.6
241.14282	20.5
243.17464	4.3
247.13364	3.9
251.16255	3.9
253.15965	4.6
261.18445	13.6
271.16992	18.5
275.20120	10.4
289.14944	5.6
289.17966	69.9
289.22800	3.2
307.19113	26.5
310.76459	3.2
325.20288	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	325.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63347	0.5
53.03946	0.8
55.01867	1.5
55.05517	5.2
56.77463	0.4
57.03433	1.7
57.07066	0.6
67.05507	5.5
69.03421	1.8
69.07071	4.5
69.46511	2.2
69.46931	1.1
70.06580	0.5
71.02371	0.4
71.04973	0.8
72.08144	1.0
79.05492	4.0
81.03425	1.4
81.07056	9.0
83.04990	0.7
83.08616	3.2
85.02930	1.0
85.06544	1.0
87.04450	0.5
89.03909	0.6
91.05482	4.4
93.07043	4.4
95.04988	1.5
95.08607	8.4
97.02885	1.6
97.06528	2.9
97.10168	4.0
103.05465	0.6
105.07038	3.2
107.04941	2.5
107.08579	3.3
107.37946	0.4
109.02837	0.4
109.06514	2.5
109.10157	5.3
111.08099	1.1
113.09629	0.5
113.53268	0.4
113.54052	0.5
115.05432	0.7
117.06997	1.2
119.04985	1.0
119.08570	3.3
121.02781	0.5
121.06491	0.8
121.10138	2.6
123.04469	0.6
123.08088	3.1
123.11696	1.6
125.09618	2.5
125.13275	0.5
129.06996	0.9
131.04974	0.7
131.08617	1.2
133.02885	1.4
133.06537	0.9
133.10109	2.2
135.04430	0.9
135.08022	1.0
135.11717	1.5
137.06007	1.4
137.09630	1.3
137.13258	1.0
141.06982	0.7
143.08557	1.2
145.02838	0.7
145.06473	0.7
145.10130	1.9
147.04462	1.0
147.08052	1.0
147.11693	1.4
148.01508	0.5
149.06107	0.5
149.09557	0.9
151.07542	1.1
151.11258	0.6
151.14844	0.5
152.06152	0.7
153.05505	2.4
153.12752	0.5
155.08586	0.8
157.10185	0.9
159.04414	1.0
159.08089	1.2
159.11717	0.7
161.06015	0.8
161.09654	1.2
161.13251	0.6
163.03941	3.0
163.11209	0.6
165.06924	0.9
169.10184	0.5
173.09604	0.7
173.13315	0.6
175.03949	0.8
175.14819	0.5
176.01062	2.5
177.01842	1.0
181.06497	0.8
186.03122	0.6
187.11247	0.5
189.11232	1.8
191.08322	0.7
194.02113	2.6
194.07266	0.5
197.13165	0.5
201.05540	0.7
205.06491	1.3
206.41023	0.5
209.06027	0.5
211.07822	0.7
215.17883	0.4
219.08142	0.6
219.10204	0.8
221.06033	1.1
221.88412	0.5
222.06802	0.9
226.06244	1.0
233.05962	1.0
234.07027	0.5
235.16983	0.5
237.05473	1.5
237.09079	0.7
239.07222	0.6
239.16478	1.3
245.15456	0.5
247.07510	0.8
249.05443	0.7
250.06308	0.9
251.11226	0.7
253.05009	1.0
254.05717	1.2
261.18680	1.0
263.16434	4.5
264.04120	0.6
265.05008	3.9
265.08688	1.3
269.12415	1.4
271.16895	0.5
279.10370	0.5
281.11798	0.7
281.17200	4.3
282.05325	0.6
287.13504	0.6
289.17926	2.5
292.07141	1.1
293.04492	1.9
293.08118	2.2
294.08490	0.5
297.07559	0.8
297.11301	0.7
307.09744	2.6
307.19135	1.3
307.26413	1.0
310.01657	0.5
310.04819	2.3
310.08163	0.7
325.07104	19.1
325.10864	3.0
325.16229	100.0
326.07437	1.0
326.16656	2.2
330.20105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
50.54383	0.3
51.26041	0.3
56.96556	1.1
57.03431	0.4
60.08172	0.3
63.04192	0.3
65.39252	0.3
65.65755	0.3
67.05512	0.4
69.03442	1.8
70.06590	0.9
70.28674	1.2
71.04996	0.4
72.08160	1.5
73.02918	0.7
78.06342	0.3
81.03426	0.9
84.08141	1.2
85.02908	2.2
86.09682	0.4
91.05479	0.8
95.04968	0.4
96.04482	0.5
97.02892	1.3
98.97604	1.1
107.04974	0.6
107.24065	0.4
117.05750	0.4
118.06560	3.9
122.07119	0.4
124.07684	0.4
127.03944	0.8
133.06631	0.6
133.07616	4.6
135.04500	0.6
137.05997	1.0
140.00301	0.4
145.07620	100.0
146.06035	0.8
146.08406	1.8
147.04475	0.5
147.09204	1.0
152.07080	0.4
158.99683	0.5
163.03935	1.2
163.05066	0.9
163.08681	59.6
164.07069	0.9
177.05511	0.4
201.02672	0.4
217.05504	0.4
235.09837	0.4
237.02838	0.5
257.05087	0.6
307.12976	0.7
307.16357	0.4
325.13965	74.5
326.14261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	42.9
57.07081	58.0
58.76874	5.8
59.04987	6.8
67.05507	48.3
69.06724	7.8
69.07072	100.0
71.08642	40.1
71.56646	6.7
79.05481	25.1
80.31658	5.5
81.07066	91.5
83.04969	6.2
83.08624	62.1
85.10172	23.1
91.05469	25.2
93.07038	42.1
95.08617	99.7
97.06517	12.9
97.10186	45.5
98.55860	6.2
105.07037	33.5
107.08600	42.6
109.06547	6.9
109.10161	62.2
111.08073	7.8
111.11714	15.3
115.07569	6.8
119.08620	30.8
121.10127	28.4
122.84047	6.2
123.08043	7.8
123.11720	34.2
128.78065	5.7
131.08577	10.5
133.10124	33.4
135.11671	21.0
137.09601	10.5
137.13249	9.3
147.11691	24.3
149.13269	11.2
151.11188	20.4
161.13272	17.8
163.14847	8.0
165.12766	14.1
175.14774	17.7
179.14334	9.6
183.13882	7.9
191.17874	7.4
227.17801	7.7
263.27353	34.8
278.61557	8.5
287.27301	21.9
291.19455	7.5
305.28418	18.8
323.23746	12.8
323.27338	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	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.33487	0.3
55.01878	0.6
55.05516	1.4
56.05029	0.4
57.05810	0.4
57.07077	0.5
58.06594	0.5
64.53394	0.4
67.05510	3.1
69.06717	0.7
69.07076	9.6
70.93362	1.0
79.05494	4.9
81.03432	0.5
81.07065	7.6
83.04979	3.7
83.08598	0.5
86.03594	0.4
86.09710	100.0
87.10018	0.5
91.05489	9.4
93.07048	12.3
95.04976	2.3
95.08592	2.1
97.06551	1.0
98.97491	0.4
105.07036	14.1
107.04996	0.5
107.08608	3.4
109.06527	9.9
109.10175	1.2
111.08087	2.8
117.07041	0.5
119.08584	4.6
121.06503	0.6
121.10136	0.8
123.08076	1.0
128.04161	0.4
128.10725	5.1
129.07011	0.6
131.08580	4.4
132.10211	28.8
133.06482	1.0
133.10132	17.1
138.22855	0.4
145.10121	0.5
147.08119	0.7
147.11693	12.3
147.12791	0.8
149.09628	2.1
149.13303	1.2
151.07579	2.7
151.11191	41.7
156.10216	1.2
157.10123	0.7
165.12796	2.0
167.14288	0.6
175.11174	4.4
193.12279	4.2
194.79945	0.3
210.14909	1.3
222.14893	1.2
239.20601	0.4
241.11809	0.4
260.20090	7.3
263.10904	0.4
270.26187	0.5
278.21161	29.1
279.21661	0.7
306.20670	5.9
324.21695	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	323.2581
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03923	2.0
55.01859	2.7
55.05267	1.3
55.05513	21.7
57.03428	2.5
57.06832	0.9
57.07070	6.5
59.04988	1.8
65.03936	1.0
65.08670	0.8
66.80354	0.8
67.05506	38.8
69.03429	9.7
69.07069	36.3
69.07458	1.2
70.06596	2.4
71.04993	4.8
71.08625	3.1
71.22428	1.9
72.08140	2.1
73.02895	0.8
73.06549	1.4
79.05497	16.1
81.03421	4.8
81.07059	90.4
82.07395	1.3
83.04987	6.3
83.08621	12.3
85.02908	3.2
85.06532	7.3
91.05472	7.8
93.07045	25.6
95.04958	5.9
95.08608	100.0
97.02891	7.8
97.06540	7.6
97.10173	15.2
99.04479	0.8
99.08095	6.7
101.06025	7.8
105.07031	17.8
107.04962	1.8
107.08593	23.8
109.02908	1.2
109.06519	6.1
109.10159	59.1
110.10480	1.0
111.08089	9.4
111.11746	5.1
113.06025	1.0
113.09624	1.7
114.69287	0.8
115.07576	2.9
117.07036	2.7
119.08585	10.4
121.06499	1.9
121.10152	18.0
123.07281	1.1
123.08058	4.7
123.11712	28.3
125.09609	5.4
127.03913	1.1
127.11200	1.8
129.05492	6.2
129.07002	1.6
129.09117	1.6
129.59282	0.8
131.08575	4.4
133.06523	1.3
133.10138	9.8
135.08037	2.3
135.11684	9.0
136.28476	1.0
137.06003	9.3
137.09645	8.1
137.13255	24.7
139.11192	6.8
143.07004	1.8
143.08594	2.9
143.10680	3.1
145.10132	4.0
146.03560	1.1
147.07951	1.0
147.11670	7.6
149.09644	2.3
149.13274	10.1
151.03935	1.9
151.07533	2.0
151.11206	3.8
151.14813	4.1
153.12758	2.0
153.19383	0.9
157.10141	2.3
157.12257	2.4
159.11732	3.6
161.05978	3.8
161.13252	5.3
163.03931	1.3
163.11186	1.3
163.14822	7.4
165.12773	2.1
167.10638	1.6
167.14262	1.3
171.11711	1.5
173.09700	0.8
173.13239	2.5
175.11090	1.0
175.14836	3.4
177.05446	2.2
177.12782	1.7
177.16382	1.6
179.10657	1.4
181.12163	1.2
187.14876	1.7
189.12799	1.0
189.16420	2.8
191.08633	1.4
191.14349	1.3
199.07607	1.7
199.14899	1.1
201.16347	2.5
202.07753	1.2
203.08603	1.5
203.17990	1.7
207.17535	1.7
213.16467	1.8
217.15921	1.2
219.08127	1.1
219.17374	1.3
221.15237	1.3
225.14842	1.5
231.08174	4.2
235.07625	1.5
237.14757	1.8
239.16467	2.4
246.03487	0.9
248.08363	2.2
249.18655	1.1
253.17920	2.1
259.07568	2.2
259.24265	2.6
263.06769	1.0
263.10666	2.9
267.19534	2.8
269.22678	2.1
277.25262	2.0
287.23694	4.4
291.10043	5.1
305.17404	1.9
305.24731	11.6
308.10138	1.6
323.09198	4.0
323.12643	5.1
323.14697	7.5
323.18689	6.4
323.25861	30.0
324.26175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01872	3.1
55.05519	7.1
57.03441	6.8
57.07074	1.7
59.04998	2.0
64.59885	1.2
65.03929	1.6
65.87498	1.0
67.05508	25.1
69.03413	2.3
69.07072	18.9
69.76286	6.0
71.04992	7.9
73.06561	6.2
79.05495	16.5
81.03413	1.8
81.07064	19.6
83.04977	3.1
83.08620	4.8
83.82232	1.0
85.02907	1.7
85.06543	3.8
86.03544	1.7
86.09702	1.5
91.04964	1.6
91.05489	17.0
93.07045	16.6
95.04964	9.7
95.08614	14.6
97.02921	1.2
97.06545	2.5
97.10172	4.2
98.20823	1.6
99.08101	100.0
103.05450	1.1
105.07047	16.8
107.04967	5.9
107.08608	13.3
108.80227	1.0
109.06522	14.8
109.10165	6.2
111.04498	1.3
111.08051	3.5
113.06008	4.5
113.28960	1.0
117.07047	7.7
119.08582	10.4
121.06504	3.2
121.10136	8.7
123.04417	1.1
123.08110	5.5
123.11716	1.6
125.09608	1.9
127.07562	2.3
129.07019	2.9
131.08592	11.3
133.06483	2.8
133.10176	8.4
135.08061	10.2
135.11742	4.3
137.06013	1.3
137.09651	3.1
137.13234	1.2
141.09116	2.6
143.08549	4.4
145.10126	8.3
147.08018	5.3
147.11705	4.7
149.09648	6.1
149.13321	2.3
151.11203	2.3
155.08478	1.4
157.10138	5.5
159.08080	1.8
159.10271	1.4
159.11707	4.1
161.06015	1.2
161.09636	6.0
161.13283	1.8
163.11183	2.9
171.11682	3.5
173.13277	2.4
175.11185	3.4
177.12784	2.1
179.08786	1.1
179.10619	1.7
189.12729	1.2
195.11691	1.1
197.13353	1.3
199.14853	2.0
201.12749	1.5
201.16197	1.1
209.61526	1.2
211.14696	1.1
217.15974	5.1
227.17958	1.9
231.17488	1.6
237.16571	1.9
245.19083	2.5
249.18645	1.6
255.17462	3.8
263.20081	2.6
273.18527	18.8
277.08197	1.1
291.19562	15.2
305.21072	11.5
323.09052	1.8
323.12830	1.2
323.22501	1.5
323.27249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	18.0
53.91739	2.3
55.01871	9.4
55.05515	20.6
56.05825	2.5
57.03436	7.4
57.07074	3.4
61.00431	2.4
65.03931	4.9
67.05171	3.6
67.05508	47.0
69.03430	4.6
69.07069	11.7
70.06589	2.8
71.05013	11.5
72.08175	3.9
79.05504	41.5
81.03429	34.0
81.06580	5.2
81.07063	100.0
83.04991	15.4
83.08631	5.9
83.96861	2.8
84.96407	2.3
85.02945	2.9
85.06547	9.9
91.05493	33.1
93.07050	53.7
95.01328	5.3
95.04974	20.9
95.08621	39.6
97.06521	13.3
97.10167	5.2
99.08115	5.2
101.06033	3.0
105.07019	25.4
107.04971	24.5
107.08619	26.2
109.06538	45.0
109.10145	9.6
111.04472	5.3
111.08091	11.1
113.05991	7.0
117.06998	16.3
117.82703	2.4
119.08572	15.7
121.06520	11.9
121.10153	21.1
123.04477	4.3
123.08095	18.4
125.09657	6.5
129.07021	8.6
131.08606	16.4
133.06490	3.7
133.10123	17.6
135.08087	19.8
135.11708	20.9
137.05983	3.6
137.09645	5.5
141.07014	4.4
143.08549	6.0
145.06471	10.2
145.10110	12.1
147.08072	9.5
147.11769	4.9
149.09615	8.2
149.13249	15.2
157.10133	5.7
159.08057	4.1
159.11703	30.7
161.09619	6.8
161.13287	2.4
163.11230	17.5
167.10680	2.9
169.10132	8.9
171.11684	3.4
173.13261	3.4
175.11172	5.0
177.12758	26.8
185.13327	3.8
187.11174	14.9
199.14920	3.1
201.12758	3.8
203.14413	3.2
205.12256	7.3
209.15503	6.6
217.15881	6.9
219.13783	2.6
221.15369	5.8
227.17921	3.2
273.18506	19.2
287.16528	2.8
291.19598	11.8
305.17731	4.6
305.21088	51.1
323.18668	9.5
323.22205	13.3
323.27335	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28010	3.5
53.03935	13.3
55.01873	15.1
55.05519	32.7
57.03444	49.7
57.07067	6.7
59.64729	3.7
62.06091	7.7
65.03927	5.6
66.51046	4.2
67.05175	6.7
67.05511	100.0
69.03433	11.7
69.07065	29.1
71.04993	35.5
71.29098	8.6
75.04470	3.9
79.05500	71.5
81.03433	11.7
81.07058	87.2
81.17995	3.8
83.04987	20.7
83.08608	12.8
85.02890	5.2
85.06522	11.1
91.05490	79.2
93.07043	88.0
95.04982	35.8
95.08046	7.7
95.08608	91.1
97.06534	25.8
97.10166	10.7
99.04410	4.0
99.08128	23.0
101.06039	5.4
105.07032	80.7
107.04955	20.1
107.08607	58.7
108.22546	3.4
109.06512	22.1
109.10165	45.1
111.04471	4.6
111.08086	12.6
113.06030	10.5
117.07026	23.7
119.08574	41.5
121.06510	15.0
121.10145	26.8
123.04435	4.5
123.08057	19.1
123.11729	9.3
125.09628	4.7
127.07526	7.5
129.07027	11.7
131.08578	38.6
133.06480	8.7
133.10144	56.8
135.08064	25.1
135.11751	22.4
137.09650	26.0
143.08565	16.0
145.06465	4.5
145.10196	20.6
147.08096	9.0
147.11719	16.4
149.09663	20.2
149.13277	7.9
151.11180	38.0
155.08601	9.6
157.10165	17.0
159.07996	4.7
159.11723	20.2
161.09637	18.1
161.13274	10.3
163.11217	9.6
169.10178	7.8
171.11687	11.7
173.13281	10.3
175.11162	9.3
177.12778	12.7
179.10722	4.7
183.11743	9.8
185.13274	8.1
191.14314	4.8
195.13866	4.8
199.14857	8.3
201.12767	7.2
203.14464	4.8
211.14879	6.8
217.15851	22.4
219.13788	10.1
221.15428	14.5
227.17982	8.4
233.15388	6.2
235.16875	5.2
245.18988	10.7
255.17468	11.3
261.18463	9.2
273.18539	50.8
287.16452	5.1
291.19562	38.7
305.17703	7.9
305.21127	27.4
323.22223	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	323.2218
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.67326	1.8
55.01876	3.2
55.05511	5.9
57.03439	34.4
61.74515	1.8
63.62407	1.8
67.05505	24.1
68.27384	1.6
69.03384	1.7
69.07100	1.6
71.04994	4.3
71.20480	3.8
71.20826	2.7
71.48906	1.9
74.23206	2.1
79.05511	8.9
81.07062	11.2
83.08627	2.1
85.06553	30.3
91.05497	9.9
93.07039	11.8
95.04977	33.6
95.08623	7.3
97.06519	2.1
105.07030	4.9
107.04985	3.9
107.08612	4.7
109.06526	32.8
109.95655	1.8
111.41173	1.7
113.06013	100.0
117.07035	5.6
119.08570	3.6
121.06521	2.3
121.10142	3.4
129.07030	3.0
131.08545	3.5
133.10199	1.9
135.08054	24.1
135.11736	3.1
143.08577	2.6
145.10120	3.5
149.09621	2.7
157.10205	2.6
161.09624	4.0
167.07649	2.0
195.58015	2.3
199.14842	3.1
217.15970	7.5
255.17317	2.7
273.18527	12.3
291.19574	37.8
291.64124	2.0
305.21158	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.4
55.01865	12.6
55.05512	43.9
57.03439	6.9
61.79250	4.7
65.03927	5.7
66.97785	4.2
67.05502	65.4
69.03432	12.5
69.07074	33.9
69.86057	26.2
69.86343	7.2
71.04986	6.0
79.05495	68.3
81.03423	7.4
81.07059	94.5
83.04988	27.3
83.08620	14.3
85.06541	8.3
91.05472	59.7
93.07047	61.4
95.04971	14.6
95.08614	45.3
97.06532	11.7
97.10189	9.0
98.21458	5.4
105.07037	53.6
107.04958	15.9
107.08587	45.7
109.06506	14.1
109.10170	43.9
111.04440	10.2
111.08069	13.1
117.06998	11.0
119.08574	20.1
121.06517	19.4
121.10144	15.2
123.04446	5.4
123.08060	10.5
123.11714	8.9
125.09651	5.1
129.06972	15.5
131.08566	18.8
133.06494	12.2
133.10112	64.5
135.08133	9.5
135.11691	18.2
135.12698	4.3
137.05974	5.5
137.09718	6.6
139.07520	8.7
143.08531	14.6
145.10126	15.9
146.05960	4.7
147.08055	16.3
147.11681	12.7
149.09650	15.9
151.11185	68.2
153.95839	4.8
155.08607	6.0
157.10149	10.3
159.11661	6.3
161.09637	23.3
161.13353	5.8
163.11182	6.2
171.11618	6.8
175.11159	7.8
177.09200	5.7
179.10709	11.1
183.13802	20.0
189.12814	9.0
217.12177	4.8
227.17952	10.0
245.19011	20.6
262.02039	4.7
263.20108	18.1
273.18515	38.1
291.19525	100.0
305.21066	9.1
308.31116	4.7
318.68790	4.7
323.22162	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.01867	12.9
55.05513	42.0
57.03432	10.9
65.03927	4.9
67.05170	7.2
67.05508	83.6
69.03426	6.8
69.07064	25.2
69.42758	32.7
79.05494	71.0
81.03436	4.8
81.07058	100.0
83.04977	45.7
83.08639	12.5
85.06540	7.4
89.46262	3.8
91.04965	6.3
91.05489	66.6
93.07045	64.5
95.04979	22.4
95.08612	37.0
97.06526	8.6
97.10176	6.5
102.91778	4.8
105.07040	72.0
107.04946	16.2
107.08599	61.3
109.06507	12.4
109.10157	55.8
111.04422	11.9
111.08092	12.1
117.07035	12.8
119.08564	19.1
121.06545	18.6
121.10163	16.0
123.08042	11.3
123.11700	15.8
125.09668	5.6
129.06999	8.1
131.08559	22.0
133.06480	14.8
133.10132	89.4
135.08058	11.2
135.11691	10.7
137.05954	4.3
137.09619	8.0
139.07573	10.6
143.08571	13.7
145.10138	17.0
147.08032	11.3
147.11676	10.2
148.39360	4.3
149.09612	15.7
151.11185	87.7
154.98975	4.3
157.10123	6.5
159.08038	5.8
159.11684	9.1
161.09631	17.4
161.13318	4.2
163.11180	6.0
165.09160	5.7
171.11667	9.9
174.87630	4.2
175.11188	10.9
177.09094	11.0
179.10683	11.9
183.13832	26.4
189.12686	5.1
197.84013	4.0
199.11220	6.3
217.12276	5.0
222.10022	4.0
235.13237	5.8
245.19008	22.0
255.17430	7.3
263.20096	15.7
273.18533	42.4
291.19565	72.4
305.21140	12.9
323.22110	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01866	4.7
55.05268	1.7
55.05517	27.2
59.84747	1.4
62.06098	10.0
67.05508	16.8
69.03425	4.0
69.07075	11.9
70.08810	6.2
71.04991	1.8
79.05503	16.0
81.03430	1.6
81.07076	14.5
82.07365	1.5
83.05010	2.1
83.08624	10.1
91.05495	9.1
93.07053	13.7
95.04967	4.3
95.08624	7.9
97.02894	2.2
97.06495	2.2
97.10172	20.3
98.20872	1.8
105.07010	8.1
107.04948	3.7
107.08610	10.6
108.38243	1.4
109.06555	1.7
109.10144	4.2
111.08014	1.8
117.07056	3.4
119.04951	2.2
119.08588	7.6
121.06548	2.8
121.10214	3.0
123.08055	5.3
125.09650	19.3
131.08565	5.1
133.06488	3.8
133.10136	1.8
135.08055	4.9
137.09622	3.8
145.10144	3.3
147.08012	3.7
153.09105	4.1
157.12236	2.2
159.11784	2.8
162.10373	1.7
165.09064	3.6
168.26410	1.4
203.12715	9.0
223.13260	9.3
273.18481	11.5
291.19562	100.0
292.19812	1.6
305.21130	26.3
323.22128	6.1
323.27515	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.3
55.01867	6.1
55.05516	32.7
56.68233	1.6
57.03444	5.3
67.05507	20.5
69.03434	7.8
69.07076	18.6
71.20786	3.4
79.05502	19.4
81.03432	4.0
81.07063	20.1
83.04990	3.2
83.08622	17.1
85.06521	1.5
91.05486	11.3
93.07042	16.0
95.04984	7.7
95.08607	13.4
97.06530	2.7
97.10172	28.5
100.52639	1.4
105.07024	10.6
107.04961	5.3
107.08585	15.4
108.41293	1.6
109.06540	2.9
109.10162	4.4
111.08075	2.1
117.07034	6.2
119.08588	8.4
121.06538	3.5
121.10142	5.4
123.08101	11.5
123.11714	1.9
125.09626	30.4
129.07048	2.5
131.08568	5.5
133.06487	3.7
133.10097	2.7
134.07034	1.4
135.08080	6.6
137.09636	2.4
143.08577	1.8
145.10139	5.4
147.08009	4.1
147.11720	2.5
149.09648	2.4
153.09111	4.1
157.10196	2.7
159.11748	2.0
161.09651	1.7
163.11211	3.7
165.09157	3.9
171.10161	1.7
171.11653	1.6
175.11194	3.0
189.11226	2.1
193.12268	2.9
203.12804	15.3
215.17511	1.5
215.56795	1.5
223.13289	12.6
235.13344	1.8
249.14874	3.6
255.17563	1.7
263.19769	1.7
273.18481	14.4
291.19556	100.0
292.19897	1.8
305.21130	24.2
305.24567	1.8
323.22211	7.5
340.58023	1.6
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
53.03939	19.0
54.32817	3.7
55.01673	3.0
55.01880	27.0
55.05511	29.8
57.03446	26.0
57.07068	11.5
65.03937	3.9
67.05508	98.9
69.03457	10.9
69.07067	39.3
71.05008	11.7
79.05056	7.2
79.05499	68.8
81.03426	25.9
81.07065	100.0
83.04987	13.0
83.08617	11.4
85.06534	32.5
91.05482	48.0
93.07055	71.6
95.04976	69.1
95.08609	54.9
97.06542	28.4
97.10164	8.8
98.21516	8.4
99.08106	6.1
105.07056	34.2
107.04968	18.1
107.08596	31.7
109.06532	77.4
109.10175	20.8
111.04407	5.3
111.08099	7.7
113.06013	50.3
117.07038	18.5
119.08601	24.7
121.06502	8.9
121.10180	24.0
123.08082	12.4
125.06010	6.4
125.09654	6.4
129.07056	11.6
131.08585	23.6
133.06429	3.8
133.10126	21.1
135.08046	38.1
135.11674	19.5
137.09641	20.2
139.07564	3.9
143.08572	14.6
145.10118	19.5
147.08052	8.5
147.11705	11.0
149.09598	15.5
149.13280	9.7
151.11218	4.8
157.10086	8.5
159.08014	5.6
159.11723	13.6
161.09590	11.4
161.13284	6.3
164.36000	4.1
165.09158	3.8
165.32324	4.0
169.10213	4.7
171.11734	4.9
173.13258	5.2
175.11186	7.0
177.12759	10.4
183.11777	6.3
185.13379	4.3
217.15933	13.6
221.15332	42.1
245.19101	5.2
255.17390	5.2
261.22281	5.3
263.20178	7.5
273.18478	34.7
291.19568	59.4
305.21118	35.0
323.22549	8.7
323.26981	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	323.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08274	6.2
61.64035	6.6
70.78271	7.3
71.53359	11.3
92.65656	6.3
196.22237	6.8
217.90045	6.9
278.76880	7.7
293.08377	8.8
323.07437	100.0
323.12057	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
57.03435	1.8
61.02934	5.1
67.05488	1.4
71.01358	1.3
71.04448	2.3
71.04787	1.5
74.29823	1.1
75.28863	1.2
80.30353	1.1
85.02906	3.7
88.13344	1.3
88.43176	1.2
89.03936	3.4
103.05479	5.3
105.03394	1.3
105.07098	1.3
107.04939	4.2
115.05451	5.6
117.03391	4.1
117.07040	2.7
123.04443	3.4
129.07033	2.6
131.04942	19.0
133.02873	2.0
135.04422	17.7
137.02354	10.3
139.05453	2.9
141.06985	8.2
143.04926	4.0
145.02872	5.2
145.06516	3.8
147.04410	8.9
149.05975	12.4
155.04953	6.1
157.06494	4.7
159.04413	9.0
161.02336	7.9
161.05978	7.7
163.03908	56.7
165.05504	1.6
167.05014	1.8
169.06512	11.9
171.04434	4.4
173.06010	6.1
175.03943	12.8
177.05479	46.1
179.03616	1.3
181.01378	3.0
183.04424	7.4
185.05952	6.9
187.03870	7.9
187.07603	3.2
189.01852	1.4
189.05472	20.6
191.03441	7.1
193.04970	12.0
194.81493	1.2
197.06006	13.4
199.03900	6.1
200.04651	1.6
201.05461	18.3
203.03404	11.0
203.07115	3.8
205.04976	100.0
206.05347	1.5
207.02919	10.5
208.47081	1.2
213.05453	14.3
215.03366	3.7
215.07022	14.5
217.04967	28.2
219.02899	3.5
219.06546	3.4
224.15601	1.4
225.05528	2.8
229.04959	11.3
231.02930	2.0
231.06563	10.2
235.06015	1.4
241.04999	6.2
243.06584	7.9
245.04437	13.7
247.06131	2.8
259.06055	18.4
277.07068	16.0
281.06595	3.0
287.05560	3.4
293.78177	1.0
295.08032	2.3
305.06732	7.2
323.07645	35.8
323.11371	1.3
329.62552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	5.2
57.07080	1.1
60.04536	1.3
62.06095	100.0
67.05507	16.4
69.07067	4.2
69.70230	4.9
79.05505	9.9
81.07063	18.0
83.08638	2.4
85.06571	0.8
86.01405	0.7
91.05493	5.0
93.07055	12.3
95.08613	13.5
95.09161	1.0
97.06526	0.8
97.10195	2.2
105.07059	3.4
107.08607	8.1
109.10168	5.9
117.07050	1.7
119.08618	3.1
121.10167	6.2
123.11762	1.5
125.09625	1.6
131.08627	2.3
133.10164	2.9
135.11720	4.1
137.13377	0.9
137.98563	0.7
144.10245	0.7
145.10181	2.6
147.11754	1.2
149.13322	2.4
151.14897	0.8
159.11745	2.4
161.13322	0.8
163.14870	1.7
170.78111	0.8
173.13309	1.1
177.16426	1.4
187.14969	0.9
198.14970	0.9
243.21138	2.4
261.22253	3.8
291.19592	5.9
304.26550	2.6
305.21393	1.7
305.24863	1.3
322.27402	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	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05499	5.1
57.07065	1.5
62.06093	100.0
67.01848	1.3
67.05504	16.1
69.07083	6.5
79.05495	13.2
81.07059	15.0
83.04961	1.7
83.08620	2.5
85.99436	1.2
91.05505	7.4
93.07052	14.1
94.67347	1.4
95.08617	12.1
97.10210	1.5
105.07013	3.8
107.08573	6.8
109.10152	4.2
111.08128	1.3
119.08578	3.5
121.10158	7.0
133.10182	1.6
135.11713	2.3
149.13249	2.0
155.56207	1.3
173.13193	1.5
226.57591	1.4
261.21988	1.6
290.18207	1.4
305.24744	22.5
321.90015	1.7
322.27496	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	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60895	1.1
53.03955	1.4
55.05513	7.8
56.05854	1.1
57.03426	1.4
57.07058	1.4
58.70900	1.2
62.06096	100.0
67.05176	1.6
67.05514	22.5
69.03412	1.5
69.07089	7.7
70.00753	5.7
70.60886	1.0
71.05031	1.5
71.08642	6.7
79.05502	15.5
81.07064	25.1
83.04971	1.6
83.08615	2.9
84.96056	1.9
85.02908	2.1
91.05484	6.1
93.07048	20.5
93.64361	1.3
95.04958	1.8
95.08623	20.3
97.06521	1.3
97.10187	1.4
98.06067	4.7
99.08109	3.3
105.07044	6.6
107.08623	10.7
109.10165	6.8
117.06987	2.8
119.08599	3.7
121.10139	7.0
123.11691	3.3
124.11257	3.1
125.52856	1.3
130.21172	1.1
131.08580	3.6
133.10136	3.2
135.11691	4.5
137.13292	2.0
139.21730	1.2
145.10146	4.3
147.11720	2.2
149.13281	1.6
159.11699	2.4
161.13263	2.3
163.14783	2.3
170.99614	1.2
173.13266	1.9
177.16434	4.3
181.26758	1.1
187.14908	1.5
196.13416	1.6
201.16405	1.3
210.13487	1.6
212.16376	1.2
214.18051	1.8
224.20149	4.6
231.61609	1.9
243.21086	4.2
261.22162	6.1
276.08096	1.5
304.23376	1.8
304.26535	2.5
305.24884	4.1
322.27444	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20195	0.4
53.03949	0.9
55.01881	0.8
55.05518	4.8
57.03433	0.9
57.07079	2.1
59.40834	0.5
60.04536	1.4
61.05843	0.4
62.06093	100.0
65.03957	0.6
67.05510	17.5
69.07067	3.9
70.95589	1.1
73.02900	0.4
79.05501	11.9
81.04290	0.4
81.07066	20.4
83.08637	2.2
85.06556	1.3
91.05490	6.4
91.06016	0.6
93.07050	14.7
93.07629	0.8
94.07422	0.6
95.04973	0.6
95.08609	15.7
96.37610	0.5
97.06532	0.8
97.10165	1.2
98.06051	0.4
99.04481	0.6
99.08112	0.6
105.07032	3.5
107.08604	8.3
109.06554	1.0
109.10174	5.8
111.08106	0.6
117.07038	1.1
119.08575	3.3
121.10148	6.5
123.11729	1.4
130.08672	1.1
131.08557	4.0
133.10118	2.3
134.21327	0.4
135.08109	0.5
135.11694	3.7
137.13293	1.3
137.78773	0.5
140.03818	1.2
142.32466	0.4
144.10233	1.0
145.10168	3.1
147.11690	1.6
149.09718	0.7
149.13297	2.9
151.14890	0.9
158.11809	1.2
159.11736	2.1
161.13326	1.8
162.84898	0.5
163.14885	2.1
165.16397	0.6
172.13429	1.1
173.13339	1.8
177.16351	3.2
186.14973	0.8
187.14909	0.7
200.16516	1.0
214.17976	0.5
219.21005	0.6
224.16620	0.6
233.22705	0.9
238.17921	0.6
240.19739	0.8
243.21106	6.0
261.22189	5.7
304.26355	2.5
305.24683	2.5
306.72897	0.5
322.24557	1.4
322.27515	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	322.2741
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03947	1.3
55.05510	4.9
57.07076	1.8
59.05006	1.2
60.04520	1.7
62.06094	100.0
67.05179	1.4
67.05509	20.5
68.83501	1.0
69.07078	6.1
69.68236	4.6
79.05130	1.2
79.05506	13.1
81.03401	1.4
81.07066	21.0
81.23833	0.9
83.08595	2.0
85.06538	1.5
91.05486	6.2
93.07048	18.2
95.08617	16.7
97.06513	1.2
97.10181	1.0
105.07021	5.4
107.08596	9.5
108.29691	0.9
109.06548	1.5
109.10178	6.0
117.07043	2.3
119.08594	2.9
121.06543	1.1
121.10144	8.4
123.11706	1.5
130.08638	1.2
131.08574	4.2
133.10132	3.1
135.11739	5.5
137.13240	1.6
145.10114	2.9
146.75281	0.9
147.11649	2.4
149.09627	1.7
149.13257	2.3
158.11667	1.2
159.11742	2.1
161.13261	1.8
163.14815	2.8
172.13266	1.7
173.13255	2.9
176.73238	0.8
177.16388	3.3
186.14964	2.2
187.14885	1.3
233.22549	1.0
243.21097	5.4
261.22137	7.8
282.04285	1.0
304.26431	1.8
305.24722	2.4
322.24475	5.8
322.27731	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	322.2378
Annotation	Vanessine
Peak:m/z	Relative Intensity
52.81049	1.2
53.03949	2.6
54.03418	0.9
54.39525	1.1
55.01862	1.0
55.05514	14.2
56.05034	1.7
57.07058	1.7
67.05512	14.9
68.05025	1.4
69.07073	9.8
71.04997	1.7
71.56360	1.4
72.04519	14.7
77.12635	0.9
79.05501	22.6
80.05017	7.1
81.05798	1.6
81.07059	22.7
82.06568	2.9
83.04967	1.0
83.08620	3.2
83.91992	1.2
84.04516	1.3
85.06557	1.8
91.05486	11.6
92.04960	1.0
93.05776	3.7
93.07050	16.9
94.06554	4.7
95.04968	4.2
95.07349	2.3
95.08624	11.5
96.04473	1.7
96.08154	2.4
97.06541	1.5
97.10180	2.5
105.07034	6.4
106.06589	5.5
107.07358	2.2
107.08582	6.8
108.08130	8.1
109.10141	3.7
110.06028	2.9
110.09711	1.4
112.07652	1.3
114.09162	1.3
117.07011	1.7
118.06538	3.2
119.08568	3.0
120.08120	4.2
121.08890	1.7
121.10120	4.4
122.09669	3.1
123.11689	1.7
124.07611	9.4
126.09162	3.6
128.10635	1.8
129.06985	1.2
131.08536	1.9
132.08121	1.7
133.10133	1.2
134.09698	6.0
135.10455	1.4
136.11284	1.8
146.09657	2.2
147.10423	1.5
147.11699	1.8
148.11211	4.9
162.12808	3.6
176.14392	4.7
204.13919	1.9
212.20152	1.2
236.16528	1.4
244.17241	1.2
252.16014	1.1
262.18085	1.7
272.20184	2.0
276.19662	3.7
290.21191	15.4
304.22775	2.8
305.23752	1.2
322.23782	100.0
322.30789	11.3
323.24005	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	322.2014
Annotation	Croomine
Peak:m/z	Relative Intensity
53.03948	0.5
55.01869	0.4
55.05516	1.8
56.05030	0.5
65.03935	0.7
66.04715	0.3
67.05509	5.9
68.05035	2.9
69.03429	0.2
69.07077	1.4
69.40980	1.4
70.06597	12.4
71.04988	0.5
74.02434	0.3
79.05502	5.5
80.05020	1.4
80.06245	0.4
81.03423	0.3
81.07063	5.7
82.06575	0.4
83.04958	0.6
83.08615	0.7
84.08159	0.2
85.06532	0.3
91.05482	3.3
93.05785	1.4
93.07053	3.9
94.06576	1.7
94.07156	0.2
94.07346	0.1
95.04969	0.6
95.08607	3.2
96.04483	0.2
96.08149	0.4
96.08916	0.3
97.06537	0.4
100.07630	2.5
105.07036	1.9
106.06562	3.2
107.07339	0.7
107.08604	1.8
108.08131	2.4
109.06511	0.4
109.10165	0.8
114.05543	4.2
116.07085	0.3
117.07024	1.3
118.06535	1.2
119.07359	0.8
119.08577	1.1
120.08117	5.7
121.06501	0.2
121.08884	0.3
121.10140	0.8
122.09663	1.1
123.08118	0.2
123.11711	0.2
124.07565	0.2
128.07074	2.1
129.07019	0.3
130.06552	0.2
131.08601	1.1
132.08081	1.1
133.08878	0.8
133.10135	0.5
134.09663	11.4
135.10449	1.9
135.11565	0.4
136.07574	0.3
136.11186	0.3
137.04756	0.6
137.09610	0.2
140.07056	0.5
143.08594	0.3
145.09044	0.2
145.10133	0.8
146.09612	1.3
147.07985	0.2
147.10555	0.3
147.11642	0.4
148.07533	0.3
148.11221	11.5
149.13223	0.3
152.07048	0.7
152.10721	0.4
154.08659	1.3
156.85202	0.2
160.07693	0.2
160.11194	0.3
162.09106	0.2
162.12791	0.5
164.07088	9.2
165.07852	0.5
166.08664	0.9
168.06674	0.2
173.13274	0.3
177.07880	0.4
178.08659	3.2
179.09415	1.3
180.10208	17.1
183.28328	0.2
190.08754	0.2
192.10239	0.7
193.10982	0.9
194.08142	0.8
194.11832	0.9
230.19006	0.3
250.18039	0.2
258.18552	2.1
258.22891	0.2
260.20111	0.6
271.65219	0.2
274.18015	0.4
276.19595	10.2
286.17938	0.3
294.20624	0.2
301.05307	0.2
302.17560	1.5
304.19083	18.5
305.19458	0.5
320.18793	0.4
322.20135	100.0
323.20465	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	322.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01784	0.2
52.08022	0.2
53.03947	0.4
55.01853	0.3
55.05504	1.7
56.05028	0.4
63.73100	0.3
67.05181	0.4
67.05509	6.0
68.05028	2.7
69.03436	0.3
69.07069	1.5
70.06595	10.6
70.59260	0.8
71.05000	0.7
72.08167	0.5
75.26596	0.4
79.05505	5.0
80.05011	1.3
80.06229	0.3
81.07057	5.2
82.06587	0.4
83.04982	0.5
83.08622	0.5
84.08147	0.3
85.06564	0.4
91.05480	2.9
93.05779	1.0
93.07047	3.6
94.06583	1.5
94.07101	0.3
95.04951	0.6
95.08590	2.7
95.95613	0.3
96.08153	0.3
97.02891	0.5
97.06508	0.6
97.10166	0.3
99.08054	0.3
100.07607	3.1
100.11236	0.2
103.05459	0.3
105.07044	2.2
106.06564	3.1
107.07341	0.7
107.08605	1.6
108.08125	2.3
109.06553	0.7
109.10146	0.9
111.04361	0.3
114.05533	3.6
116.07075	0.4
117.07009	1.5
118.06538	1.1
119.07293	0.7
119.08546	1.4
120.08121	4.2
120.08925	0.5
121.10142	1.0
122.06016	0.3
122.09668	0.8
122.10517	0.3
123.11730	0.3
124.07605	0.3
128.07082	1.7
129.07010	0.5
131.08560	1.4
132.08080	1.0
133.08887	1.1
133.10086	0.6
134.09660	8.8
134.33755	0.4
135.10419	1.6
135.11606	0.5
140.07030	0.3
143.08533	0.3
145.10132	0.6
146.09654	1.1
147.08073	0.3
147.11656	0.7
148.11220	9.0
149.13307	0.3
152.07088	0.6
152.10605	0.4
154.08614	0.9
159.11584	0.3
160.11121	0.3
162.12769	0.5
163.62274	0.3
164.07077	7.4
165.07748	0.3
166.08673	0.9
178.08649	2.5
179.09427	0.9
180.10204	15.9
192.10188	0.7
193.10889	0.7
194.08156	0.6
194.11790	1.1
201.16357	0.4
230.18886	0.5
240.67470	0.3
243.36400	0.3
255.08568	0.7
258.18530	2.4
260.20221	0.4
274.17889	0.5
276.19580	9.0
291.10126	0.5
294.20569	0.4
302.17456	1.6
304.19064	17.7
307.09735	0.3
320.18539	0.4
322.20126	100.0
323.12701	0.7
323.20450	3.0
343.66779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.9928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	0.4
70.72511	0.3
77.73216	0.2
77.92440	0.2
82.99887	0.2
98.97587	2.7
100.99844	0.2
101.00883	0.5
116.98619	1.9
119.01911	1.7
134.99648	0.8
137.02982	0.4
140.98795	0.4
142.03545	0.2
146.83434	0.2
158.99896	0.9
177.00961	12.8
178.01067	0.5
182.99796	1.5
196.90999	0.2
201.00919	6.5
214.95595	0.3
216.98782	0.2
219.02007	100.0
220.02150	3.7
221.02391	0.6
227.61520	0.2
232.93092	0.3
233.03577	0.9
234.99814	0.3
236.99544	0.8
237.03038	0.2
238.95502	1.4
242.03592	4.7
243.03769	0.3
254.93184	0.2
256.96634	8.6
257.96692	0.6
258.96991	0.2
258.99695	0.4
261.00168	0.2
261.03067	0.8
261.97073	0.2
262.95709	0.6
272.94446	0.3
274.94214	1.1
274.97690	2.3
277.00891	0.7
278.01147	0.2
279.98242	1.3
280.96524	1.4
292.95151	0.4
296.94470	0.2
297.99219	0.3
298.18683	0.2
298.97675	35.0
299.18924	0.3
299.97760	1.1
301.01056	0.2
303.98206	0.2
307.92859	0.2
312.99246	0.6
314.95618	0.3
316.93085	0.3
316.95761	0.3
316.98831	0.4
318.95300	0.2
319.43771	0.5
319.93878	0.2
321.99265	3.9
328.44376	0.9
328.94241	0.4
334.92596	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	322.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01862	2.8
55.05503	2.4
56.05023	3.4
56.96331	1.1
56.96568	10.7
57.03448	5.8
58.06609	2.1
59.04978	1.1
59.79936	0.9
60.04497	1.8
60.05630	2.9
60.07925	1.0
60.08171	12.7
61.02934	7.9
65.03410	1.1
67.05501	1.5
68.05022	1.2
69.03435	20.5
69.07062	2.0
69.74696	7.0
70.06597	31.7
71.01354	1.1
71.04988	2.9
71.95258	1.2
72.08168	6.8
73.01133	1.9
73.02932	5.2
74.06061	2.9
74.10941	1.1
74.50864	0.9
75.71246	1.1
76.02223	1.3
81.03416	7.3
84.04494	4.4
84.08141	4.8
85.02910	41.9
86.09701	2.0
87.02674	3.7
87.04457	5.5
91.03944	2.7
91.05436	2.4
94.06516	1.2
95.04966	1.6
96.08109	1.6
97.02887	15.3
98.00597	1.3
98.06059	8.3
98.97591	38.7
99.04450	3.8
100.02213	11.7
101.07121	1.8
103.03936	1.2
104.05341	2.3
108.66761	1.0
109.02893	5.6
110.06086	1.4
110.07153	2.8
112.02187	2.9
112.08740	2.3
113.02988	5.4
114.03738	4.2
114.09178	1.8
115.02151	1.5
115.03931	2.4
116.01670	1.9
116.97830	1.6
116.98632	32.2
119.01870	2.1
119.04889	1.8
120.02055	1.2
120.08121	2.3
123.08022	1.2
124.07604	3.3
126.03763	5.0
127.03901	9.5
128.01657	1.1
128.98586	2.1
129.02472	9.8
131.01817	1.3
134.99673	19.9
136.07567	1.4
137.05980	2.0
140.00189	1.6
142.03227	74.2
142.08650	4.3
145.04970	4.2
146.99654	1.9
147.04396	2.5
150.09215	1.4
150.21001	1.0
153.00739	3.3
157.09703	3.9
158.99655	3.1
160.04286	100.0
160.07616	5.1
160.09683	4.7
160.13347	1.2
163.03923	1.1
167.51813	1.1
175.11916	2.2
177.00751	2.6
189.00687	1.5
205.10054	2.6
215.07478	1.2
216.06943	1.1
219.01762	1.8
226.05998	1.1
235.02798	11.7
237.02736	4.1
253.03867	9.5
281.03317	2.1
304.08340	2.4
322.09564	36.1
322.13776	1.2
322.15018	1.8
322.18552	9.3
340.10529	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	321.2425
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
51.12232	1.6
53.03937	3.8
55.01864	3.2
55.05511	25.3
57.03444	1.9
57.07071	5.9
59.04991	1.5
65.03940	2.6
67.05507	56.8
69.03429	6.0
69.07069	34.2
70.06593	3.3
70.84963	2.4
71.04996	3.8
71.08625	1.5
72.08159	1.9
79.05492	26.8
81.03426	8.2
81.07056	89.6
83.00506	1.4
83.04976	7.2
83.08617	10.5
84.04490	6.9
85.02913	1.9
85.06539	5.1
85.67999	1.3
91.05481	23.3
93.07046	49.8
94.06537	1.6
95.04977	15.5
95.08610	100.0
96.78371	1.5
97.06547	8.8
97.10175	16.2
101.05991	2.2
105.07034	29.6
106.06597	2.1
107.04975	3.3
107.08595	44.3
109.02924	1.9
109.06509	13.0
109.10159	98.6
110.10489	2.1
111.08092	14.3
111.11707	3.7
114.05553	2.0
117.07023	6.1
119.08573	27.8
120.08116	2.5
121.06528	6.2
121.10131	24.9
123.04470	1.6
123.08068	6.3
123.11707	26.5
125.09612	6.9
127.03923	1.9
127.07570	2.3
129.06732	1.7
131.08563	12.4
133.06505	2.6
133.10138	23.0
134.09636	2.7
135.08069	5.9
135.11690	22.8
137.09616	9.0
137.13263	8.4
139.07535	3.0
139.11168	3.1
143.08574	5.2
143.10759	3.1
145.02840	2.8
145.10138	15.1
147.08051	6.0
147.11693	19.2
148.11183	3.1
149.09599	4.1
149.13271	12.8
151.07523	2.3
151.11169	4.6
151.14813	5.6
153.09084	2.7
153.12921	1.5
153.96571	1.3
155.10620	1.5
157.10123	4.6
159.08041	2.5
159.11725	11.1
161.09610	3.0
161.13284	14.1
163.11169	4.6
163.14815	8.5
164.07104	1.9
165.09106	10.0
165.12767	5.2
167.10666	2.0
169.10141	2.6
171.11748	2.5
173.13248	9.9
175.11214	2.8
175.14763	8.8
177.05486	5.1
177.12796	3.4
177.16414	2.8
179.10732	3.3
179.14349	1.8
180.10185	4.8
182.15396	2.6
185.13301	4.3
187.11191	1.7
187.14824	6.8
189.12776	3.8
189.16396	4.0
191.14323	3.7
193.12125	1.5
193.15874	2.6
197.13217	2.1
199.14854	3.3
201.16431	4.8
203.14374	2.6
205.15878	4.8
207.13866	2.7
209.15382	1.5
210.14879	2.2
211.14789	1.7
213.16461	2.7
217.15831	2.6
217.19606	1.6
218.07347	2.3
221.15355	2.7
229.15910	3.1
235.07527	2.2
235.16934	2.9
243.17247	1.6
247.16905	3.8
257.19217	1.5
257.22656	6.5
261.08978	1.6
261.22241	1.6
267.21136	4.8
273.22150	2.3
275.20465	1.6
275.23773	8.3
276.19717	2.8
285.22095	13.6
289.08609	3.4
291.23239	5.5
303.17096	2.2
303.23190	35.7
304.19077	4.3
306.09015	2.5
321.10803	8.4
321.14673	2.5
321.18057	3.1
321.24268	43.1
322.20126	28.4
322.24026	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01863	4.2
55.05510	7.3
57.03438	5.8
57.15456	1.7
59.04991	2.3
61.02948	2.4
67.05502	7.3
69.03441	12.8
69.07069	8.8
70.06593	5.4
70.90508	5.1
71.01357	1.9
72.08154	6.6
76.33961	2.4
79.05498	27.7
81.03419	3.3
81.07066	33.7
82.07365	2.3
83.04996	4.0
84.08154	3.0
85.02917	8.8
86.09705	3.1
91.05473	14.0
93.07055	9.0
95.01328	11.2
95.04991	10.1
95.08611	7.0
97.02898	4.7
97.06510	18.4
98.06047	2.5
100.11296	2.8
103.05437	3.0
105.07036	9.0
106.07355	2.1
107.04958	5.7
107.08553	4.3
109.02917	2.3
109.06525	27.2
109.10165	4.9
111.04425	3.9
111.08082	3.7
113.02365	1.9
115.05467	2.3
116.07024	2.3
117.07012	3.1
119.04958	5.5
119.08581	12.2
120.08143	2.7
121.06523	4.6
121.10175	1.9
123.04412	3.8
123.08031	3.7
125.05978	5.3
129.07005	2.4
131.04942	3.7
131.08662	4.0
133.10248	2.3
135.08054	5.7
137.05998	7.7
139.03879	9.7
141.01859	3.2
141.05473	3.5
147.04391	2.2
147.08067	8.8
147.11768	2.4
148.07579	2.1
149.05901	2.2
151.07494	4.0
155.07024	4.6
161.05942	2.9
163.07515	9.7
165.09108	21.8
167.07018	4.5
175.07555	3.7
177.05496	3.1
178.05998	2.6
181.08623	6.8
183.10184	2.8
187.67642	2.0
191.07011	3.8
193.08615	23.2
197.04509	5.3
199.09679	13.6
209.08141	10.8
211.09673	14.2
227.07230	2.2
227.09039	9.3
235.07538	2.0
237.07562	9.0
255.08655	100.0
263.16846	2.2
273.09705	4.6
290.08960	4.1
291.10260	3.0
307.09457	4.8
322.11771	9.3
322.20837	3.7
322.24588	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	321.2425
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
55.05516	21.4
57.03414	2.4
57.07084	10.5
67.05173	2.6
67.05508	37.3
69.03419	3.2
69.07072	28.6
70.08051	6.9
72.77454	1.5
76.24991	1.5
78.35986	1.6
79.05496	22.0
81.03410	3.8
81.07060	100.0
83.04962	7.6
83.08624	10.7
85.06544	3.5
88.31730	1.4
90.58010	1.3
91.05495	11.2
93.07052	39.6
95.04971	4.8
95.08614	83.8
97.02880	1.7
97.06523	6.6
97.10165	7.1
98.97591	1.7
99.08099	1.9
101.06020	8.4
105.07040	21.8
107.08598	43.8
109.06540	4.1
109.10162	58.7
111.08057	5.5
111.11710	2.2
111.93373	1.7
115.07552	2.9
117.06998	2.9
119.08587	17.2
121.06503	1.7
121.10146	29.5
123.08060	3.5
123.11710	30.1
125.05997	2.5
125.09603	3.8
129.05490	4.3
131.08569	6.0
133.10127	14.1
135.08081	2.1
135.11694	18.6
137.09633	3.2
137.13268	16.7
139.11131	1.9
143.07039	2.3
145.10138	8.8
147.11700	11.8
149.09566	2.3
149.13263	21.5
151.11197	4.4
159.11693	9.1
161.09561	1.7
161.13231	8.2
163.14836	11.0
164.07080	2.3
165.12770	3.3
173.13284	6.4
175.14801	4.5
177.05481	3.9
177.16391	7.6
179.10597	2.1
187.14784	3.7
189.16359	2.1
191.14273	1.9
201.16388	5.8
211.13165	2.4
219.13852	2.1
219.21054	3.0
225.14798	3.2
237.14890	3.1
247.16777	1.9
251.16396	5.7
257.22644	6.1
265.17957	8.8
269.08069	7.6
275.23743	4.7
285.22147	3.8
303.23038	9.4
321.11252	3.7
321.24249	68.8
322.20395	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	321.2062
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
50.23811	2.0
52.38426	2.0
53.03941	8.4
55.01862	8.9
55.05260	3.3
55.05513	48.6
57.02488	2.6
57.03445	24.1
57.07072	2.4
60.29213	1.8
62.06090	4.1
67.05508	39.5
69.03418	4.6
69.07076	15.3
69.83090	12.6
71.04987	3.1
73.06544	3.5
78.10355	2.4
79.05054	4.0
79.05492	43.7
81.03407	8.0
81.07059	38.0
83.04993	27.5
83.08631	18.5
85.06554	3.1
91.05482	34.5
93.07050	39.1
95.04969	9.3
95.08610	24.1
97.06553	8.2
97.10168	32.9
98.20879	2.7
99.04469	2.4
100.94477	2.0
103.05440	4.3
105.07030	22.4
107.04986	14.9
107.08608	34.1
109.02850	2.5
109.06503	12.4
109.10150	10.5
111.04485	2.4
111.08073	6.6
115.05464	2.7
117.07043	19.8
119.04901	2.4
119.08596	24.9
121.06496	11.3
121.10159	13.5
123.04427	2.6
123.08073	6.6
125.06043	2.8
125.09641	32.1
128.06250	2.6
129.06993	8.9
131.04932	3.4
131.08600	18.7
133.06490	12.3
133.10138	13.7
135.08057	25.6
135.11705	7.1
137.05968	3.0
137.09631	8.0
139.07539	2.9
141.04855	2.2
141.07005	3.1
143.08569	5.9
144.05679	2.2
145.06499	6.9
145.10147	8.2
147.08052	7.1
147.11697	5.8
149.09625	11.8
149.13228	2.8
151.07600	3.8
151.11200	4.7
153.09100	7.1
157.10127	5.0
157.12260	3.1
159.08070	31.6
159.11696	5.3
160.08847	2.7
161.09666	7.3
163.07549	8.2
163.11215	3.3
165.09206	2.5
169.10197	2.3
169.85629	2.2
171.11662	3.0
173.09634	5.0
175.11180	3.9
177.09134	9.7
187.11185	3.4
187.14810	2.7
189.12823	2.4
197.09563	2.2
199.11185	4.5
203.12781	11.4
215.14340	5.4
225.16521	2.6
233.15358	9.1
243.17471	5.0
247.17090	2.5
253.15956	4.4
261.18442	5.2
271.16830	22.5
289.17978	100.0
290.18127	2.6
303.19473	5.8
303.23206	9.6
321.14545	5.6
321.20691	23.9
321.24231	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	321.2061
Annotation	7083-09-2
Peak:m/z	Relative Intensity
53.03932	4.5
55.01876	10.2
55.05269	1.6
55.05513	25.5
57.03227	1.3
57.03432	14.9
61.27987	1.5
62.06068	1.9
65.03915	2.5
67.05179	2.2
67.05505	31.6
69.03434	9.9
69.07071	12.5
69.68973	3.6
69.69392	6.8
71.04987	15.9
75.11012	2.1
79.05495	30.3
81.03429	6.8
81.07057	28.8
83.01370	3.0
83.04978	19.0
83.08618	11.4
84.61949	1.7
85.02903	2.0
85.06532	4.7
91.05481	26.7
93.03448	2.4
93.07047	26.6
93.85776	1.6
95.01353	1.7
95.04971	10.7
95.08612	13.1
97.06516	5.8
97.10178	14.7
98.20764	3.8
103.05434	1.9
105.07030	20.1
107.04961	26.2
107.08588	16.8
109.02881	2.8
109.06521	14.2
109.10152	8.5
111.04445	15.3
111.08026	2.2
113.05972	3.4
115.05434	2.6
117.07043	11.5
119.04983	2.2
119.08604	13.1
121.06502	17.7
121.10138	6.9
123.04427	3.1
123.08070	11.1
125.05978	3.8
125.09650	17.2
128.06248	2.1
129.06985	4.9
131.04942	2.1
131.08568	11.1
133.06497	4.9
133.10124	6.9
135.08069	17.2
135.11684	4.3
137.09612	2.4
138.89536	1.6
139.07567	1.9
139.11133	1.6
141.06984	3.4
143.08563	4.4
145.06487	6.6
145.10143	8.4
147.08058	5.8
147.11674	3.3
149.05966	6.3
149.09636	6.7
151.07513	4.5
153.09099	5.7
155.08543	2.8
157.10168	4.5
157.12279	1.6
159.08093	9.5
159.09334	1.8
159.11700	6.8
161.09625	7.1
161.13301	1.7
163.07544	75.3
163.11209	3.5
165.09077	3.7
165.12750	2.0
169.10162	2.7
171.11667	4.7
173.09647	6.2
173.13260	3.6
175.11214	5.8
177.09111	5.2
177.12688	3.4
179.07050	1.7
179.10658	2.8
183.11780	3.3
189.09091	2.0
191.10719	3.5
197.13237	2.7
199.11275	2.1
201.12769	2.4
203.12733	18.6
205.16010	2.2
215.14296	2.7
217.12305	2.3
219.13802	28.1
225.16348	2.0
233.15376	16.4
243.17490	5.9
251.16429	10.4
251.18628	1.9
253.15895	2.2
261.18552	9.0
271.16934	15.2
289.17978	100.0
290.48624	1.9
303.19479	4.8
321.20633	54.3
321.24164	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72749	0.5
55.05519	2.9
57.07073	0.7
63.46705	0.5
65.03947	0.5
67.05521	3.7
67.05819	0.5
69.03452	1.2
69.07079	3.7
70.06595	0.6
71.04988	0.6
71.26147	0.6
72.04543	0.7
72.08155	0.6
79.05494	2.7
81.03418	1.3
81.07063	7.3
83.08630	1.1
85.02930	0.7
85.06549	0.9
86.09709	89.9
87.10056	0.7
91.05495	2.4
93.07046	6.5
95.04967	2.0
95.08614	6.3
97.02888	0.7
97.06542	1.6
97.10160	1.6
103.05456	4.8
105.07019	4.0
107.04967	1.7
107.08590	5.2
109.06548	1.5
109.10155	5.1
109.11739	0.6
111.04416	0.8
111.08042	0.9
119.08586	3.3
120.08109	100.0
121.06528	0.9
121.08510	0.6
121.10126	3.6
123.08031	0.7
123.11702	1.6
128.10721	48.1
129.11169	0.6
131.04955	2.1
131.08562	1.2
133.10107	2.7
135.08000	1.0
135.11690	2.3
137.09641	1.2
137.13185	0.5
139.11189	0.6
143.08568	0.7
145.10132	1.5
147.11705	2.8
149.05972	1.8
149.13278	1.1
156.10204	11.6
157.10153	0.9
159.11682	1.2
161.13219	0.9
163.11174	0.7
166.08649	54.8
169.10182	0.6
171.11646	0.6
173.13239	0.9
175.14806	1.3
177.05450	1.3
187.14838	0.8
193.15952	0.5
199.14763	0.5
206.10962	0.6
275.23615	0.8
285.22055	1.0
301.87247	0.6
303.23288	3.2
321.11023	1.9
321.24261	3.9
322.20157	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	321.095
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78820	0.7
71.24197	1.1
71.24536	1.2
80.06815	0.8
85.02919	1.0
98.89519	0.7
101.00896	2.2
106.97244	0.8
110.45324	0.8
111.05590	0.8
119.01924	4.7
123.05598	1.0
131.01918	1.7
133.03511	2.9
141.06606	2.0
143.01956	0.9
144.68178	0.8
150.20175	0.8
155.01967	1.4
159.05023	1.5
159.07684	1.2
161.03036	1.1
187.00955	1.8
191.04077	1.4
203.04143	1.1
215.00453	2.3
231.07193	0.9
233.05164	1.5
247.03087	3.0
321.11664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26938	0.4
65.04767	0.6
70.35355	0.5
70.35675	1.3
93.98898	0.5
93.99505	0.5
101.00893	0.7
109.68220	0.5
111.05567	0.6
119.01941	1.5
133.03488	1.3
159.06308	0.8
161.02911	0.6
202.63071	0.5
219.07173	0.5
221.05176	0.6
223.12590	0.5
231.54344	0.5
245.05101	0.8
321.11639	100.0
322.12045	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.05503	1.8
57.03462	0.9
65.03887	1.0
65.75366	0.9
67.05506	11.1
69.03442	1.0
69.07082	1.2
70.06573	2.1
71.04983	1.1
71.13230	2.0
72.08150	2.2
79.05492	1.9
81.03429	2.0
81.07036	2.8
84.08125	1.7
85.02915	1.3
88.07648	2.1
91.05497	3.1
93.07059	2.9
94.06577	13.0
95.08611	1.8
97.06584	1.6
105.07066	1.1
107.08591	1.8
108.08126	1.4
109.06513	1.6
119.08636	1.8
119.99252	1.0
120.08132	1.3
122.06042	39.9
127.03915	1.6
136.07588	70.8
147.11697	1.5
164.07079	100.0
177.05493	2.1
182.08147	60.7
243.11298	1.2
244.09682	1.3
257.12979	1.0
258.11145	1.5
268.38751	1.1
285.12216	1.5
286.10776	1.7
289.11801	2.2
289.77020	1.0
303.13287	4.9
304.11765	4.4
321.14468	5.0
321.18127	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	321.1447
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
52.96742	1.6
58.78799	1.2
67.05508	9.8
69.69373	1.5
69.90781	4.7
69.91190	2.8
70.06595	4.4
72.08159	2.0
79.05473	2.3
82.06597	2.1
84.08147	1.4
86.09715	1.5
91.05507	1.4
93.07040	2.0
94.06571	8.9
95.04970	5.0
98.06087	1.5
100.40536	1.5
107.07336	2.5
108.08131	7.6
110.06100	2.6
110.09705	2.4
119.04923	2.0
120.08116	3.8
122.06023	8.4
134.06036	3.2
136.07600	6.6
138.05504	24.2
138.09125	7.9
146.05988	1.7
146.08350	2.4
147.04404	9.7
148.07614	6.8
152.07152	1.8
156.06563	8.4
158.09628	1.9
162.05493	1.7
163.46381	1.4
166.08667	10.9
169.08862	1.9
172.07660	2.7
173.07178	2.9
173.10718	1.9
174.07895	5.8
174.12799	1.5
175.12195	1.6
181.08868	1.8
182.08316	1.7
182.09814	2.0
184.11201	3.3
186.09158	3.2
187.10025	1.7
189.05412	1.7
189.10223	5.6
195.09187	5.1
196.09935	11.8
197.08472	2.7
197.10724	4.2
198.09138	1.4
199.08685	1.9
201.10135	3.0
202.08662	4.9
202.11011	4.8
203.03438	5.4
203.11795	3.6
206.08382	25.4
209.07101	3.7
209.10732	1.9
210.11516	2.6
211.08647	2.6
211.12311	16.6
212.10834	2.8
213.10277	1.5
214.08678	6.8
215.09427	6.2
215.11746	2.9
219.09258	1.7
220.09969	4.6
221.10745	12.4
221.12737	2.4
223.08574	8.0
224.09453	10.3
227.08189	4.7
229.13226	1.6
230.11749	6.1
232.09749	3.1
233.10391	1.8
237.10101	7.8
238.11032	8.2
239.08226	2.8
239.11800	32.1
240.10233	2.5
241.09540	1.7
244.12054	5.5
252.08873	2.6
254.10457	2.3
257.12851	13.4
258.11307	7.4
261.04019	2.3
261.12607	1.7
262.13104	2.4
267.08447	3.2
267.11310	63.2
272.11523	3.7
275.13736	9.1
276.12308	14.1
285.12350	100.0
290.12619	3.6
293.14932	1.7
303.13379	62.3
303.16867	3.1
304.11679	7.6
321.10986	1.5
321.14450	36.1
321.18253	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89414	0.5
53.03961	1.6
54.08254	0.5
67.05508	9.3
69.07077	0.6
69.44042	0.4
70.06602	1.0
71.07654	1.2
72.08148	0.7
74.83693	0.5
76.35028	0.6
79.05509	1.1
81.03441	0.9
81.07057	1.2
91.05489	1.9
93.07053	1.4
94.06572	9.7
95.04968	0.9
95.08618	0.7
97.06560	0.7
98.21519	0.6
105.07030	0.6
107.08606	0.8
108.08125	0.5
109.02892	0.5
109.10199	0.8
119.08588	0.6
121.10162	0.6
122.06036	29.8
126.05550	1.0
136.07584	55.7
137.07954	0.8
137.30278	0.5
140.07077	1.1
140.49049	0.5
145.02846	0.8
149.13254	0.7
164.07076	100.0
182.08138	68.7
198.09073	0.6
263.35318	0.5
273.06732	0.5
286.11047	0.6
289.11725	0.9
303.13239	1.1
303.23172	0.6
304.11673	1.2
321.10803	0.6
321.14304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85425	13.1
53.03954	18.2
55.05515	34.7
67.05508	56.9
68.25146	15.9
69.03432	35.2
69.07056	43.0
69.23708	100.0
69.24110	37.9
70.06599	38.2
72.08147	43.6
79.05492	39.2
81.03419	20.9
81.07074	85.5
82.07370	17.3
83.04971	26.1
83.08636	13.4
91.05486	55.1
93.07032	48.6
94.07378	27.9
95.04948	21.5
95.08598	83.0
96.08945	19.6
97.02883	39.5
98.09697	21.0
99.08096	17.6
105.07022	53.2
107.08603	81.5
109.06516	18.1
109.10169	58.6
110.10424	20.1
116.16150	14.1
119.08588	54.0
120.08109	36.0
121.10159	43.6
123.08025	19.1
123.11739	19.6
124.12070	15.5
131.08508	23.0
133.10161	15.7
135.11684	25.9
136.12036	15.5
137.09601	18.3
137.13286	20.1
145.10002	19.4
147.04428	28.6
147.11720	26.8
148.11916	18.2
149.09578	14.3
159.11591	16.0
161.09546	14.5
161.13354	18.9
167.59380	12.8
173.13257	14.8
175.14935	15.8
214.21591	23.6
217.04309	36.9
285.61130	17.5
302.22083	20.7
303.23019	21.3
320.10068	19.3
320.19052	21.2
320.22729	79.7
320.26419	18.0
321.11200	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	321.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.5
69.03430	1.8
70.06592	2.1
70.23478	2.4
72.08154	2.0
73.01429	1.8
77.00883	1.1
81.03395	1.2
82.61047	1.4
82.99866	3.6
84.08147	1.9
85.02888	2.4
86.09680	1.9
91.02454	3.4
97.01392	2.2
97.02907	2.2
98.21442	1.7
98.97602	3.1
101.00886	43.3
105.04010	1.4
113.00909	7.6
115.02431	16.1
116.98620	2.1
117.03973	2.2
119.01933	100.0
121.01678	1.9
127.02444	1.8
129.03983	4.8
131.01920	21.0
133.03481	35.1
135.05046	1.5
137.02977	15.1
142.03487	2.0
143.01909	10.4
144.99825	2.8
145.03438	6.0
146.99588	1.6
147.05008	4.4
149.02977	5.1
150.09161	5.9
151.04520	4.2
151.09489	1.7
154.08603	1.4
157.03467	3.0
158.99731	1.5
159.01421	1.9
159.05075	2.8
161.02954	18.7
168.99854	16.1
171.01389	8.0
171.05142	1.5
173.02950	14.0
175.04549	4.6
177.00609	1.5
177.02469	4.2
177.04182	1.4
183.01483	1.6
185.02928	1.5
187.00876	38.2
188.01338	2.1
189.02477	17.9
191.02399	1.9
191.04034	15.4
196.99313	12.5
201.02440	9.2
203.03951	1.6
205.01971	11.4
207.03389	1.6
215.00375	51.4
215.03613	2.3
216.00607	1.5
217.01959	3.8
217.05464	2.5
219.01700	2.9
219.03523	6.5
221.05040	2.3
228.99757	1.0
229.01924	28.8
231.03555	4.1
233.01599	6.3
233.05060	21.6
237.02840	2.7
247.03017	86.7
249.04584	4.4
251.06155	1.3
261.04446	3.6
261.08365	2.7
265.04062	10.5
270.04446	1.8
279.05850	3.2
279.09167	1.4
289.03897	11.2
321.06610	10.8
321.10498	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	320.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.1
55.01878	1.9
55.05514	1.9
55.93531	2.4
56.05022	5.6
56.96569	7.7
57.03433	3.1
58.06596	2.1
58.18862	1.4
60.04527	10.3
61.01155	2.1
61.02924	3.5
65.99730	1.6
67.05495	4.8
68.05032	2.7
68.99826	1.6
69.03436	8.2
69.07073	39.4
70.06252	1.9
70.06597	20.2
71.53847	2.1
72.04501	2.2
72.08167	12.4
73.02937	2.1
74.06088	7.6
79.05482	3.0
81.03403	4.5
82.06580	2.8
83.04961	2.1
84.04523	9.6
84.08143	15.9
84.96041	2.6
85.02909	20.7
86.06069	4.9
86.09713	30.8
87.05595	2.4
88.03983	2.0
90.94794	1.5
91.05444	2.5
94.06576	10.7
95.04960	4.3
95.07354	3.0
96.04481	6.9
96.08128	4.8
97.02895	9.7
98.06067	15.0
98.09638	2.0
98.97589	10.2
100.07632	1.8
102.05551	3.2
104.05321	3.6
104.62243	1.7
106.06555	1.5
107.04920	2.5
108.08132	1.9
109.02842	4.9
109.06554	1.9
110.06066	2.4
110.07133	2.9
110.97647	2.0
112.07593	12.5
113.06008	3.2
113.18808	1.6
114.05540	33.3
115.03942	2.3
116.07064	3.4
116.98640	10.3
120.06614	2.8
122.06002	3.8
123.04373	2.6
124.07632	1.7
126.05535	2.1
126.09248	1.6
127.03895	2.6
128.07076	1.8
128.10742	3.4
128.98605	4.1
129.10255	3.9
130.04970	2.0
130.06462	2.4
130.08632	4.1
134.99663	3.5
137.06030	2.7
138.05458	2.8
138.09142	8.8
140.07079	62.0
141.05437	2.3
142.08630	3.5
144.06566	2.0
145.04964	2.3
146.99649	2.6
147.11327	2.1
156.06566	2.2
157.09686	3.7
158.06050	3.0
158.08141	100.0
158.99677	3.1
161.01205	1.9
168.10199	2.4
170.99704	1.8
173.12866	23.9
174.05759	3.0
175.08672	2.2
177.00691	4.6
182.08160	6.4
186.07622	6.2
195.01767	1.8
200.09125	4.0
201.08730	21.3
201.12381	7.0
219.01735	2.2
221.09245	3.8
224.09195	2.1
234.99059	2.5
237.02809	6.9
240.12424	5.3
243.07919	1.7
258.13458	9.5
276.14383	2.4
279.07550	10.2
295.59641	1.7
297.08707	2.4
302.13217	14.9
302.16827	2.4
320.12994	6.2
321.08588	6.9
332.50793	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03898	1.2
51.13080	1.1
55.05492	1.2
56.05029	2.8
57.03432	3.0
58.06605	1.4
60.04533	7.2
61.02921	2.5
61.86023	1.1
65.67982	1.2
67.05507	15.9
68.05038	1.3
69.03436	9.4
69.07070	64.0
70.02950	2.7
70.06595	8.3
70.09196	4.2
72.04524	1.7
72.08159	5.2
74.06090	1.5
81.03434	5.6
83.04969	1.3
84.04507	4.0
84.08156	8.3
85.02903	35.6
86.06062	4.6
86.09711	12.2
90.22174	1.2
91.05518	1.2
94.06589	3.0
95.04977	11.3
96.04504	1.5
97.02891	21.4
97.06531	3.5
98.06049	3.0
98.21462	1.4
98.97626	1.7
99.04430	1.9
100.07625	1.3
109.02873	5.4
110.07146	1.2
112.07605	40.5
113.05997	2.7
114.05552	7.9
116.07104	3.9
120.06482	1.1
122.05974	1.8
126.05515	3.1
127.03919	6.5
130.06537	1.1
135.07956	1.3
136.07603	1.8
140.07065	34.5
140.08090	2.2
141.05516	2.3
145.04987	2.5
153.85764	1.2
154.08640	2.2
158.08128	100.0
159.06514	2.5
161.09164	1.3
173.12865	12.9
182.08147	15.8
186.48228	1.1
199.09631	1.4
200.09186	27.4
201.08699	11.2
201.12395	3.7
214.03044	1.2
221.56944	1.2
224.09180	5.5
230.24826	1.2
238.10570	1.3
266.10294	3.4
302.13364	6.6
302.16873	2.3
320.13840	1.7
321.14474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1242
Annotation	Asp-Trp
Peak:m/z	Relative Intensity
51.76587	0.5
56.05017	2.1
56.74747	0.6
56.96548	0.8
62.52424	0.6
67.05486	0.9
68.05001	1.9
69.03413	1.1
70.06595	6.2
71.08615	0.6
71.53951	0.5
72.08159	3.6
78.05561	0.6
78.22005	0.5
81.03416	1.3
81.07027	0.9
82.06573	0.7
84.04491	1.9
84.08141	2.9
86.06051	1.0
86.09684	1.9
91.05464	2.0
93.05944	0.5
95.04967	0.7
96.04472	0.7
97.02915	0.8
98.09664	1.3
102.05492	0.7
104.05318	1.4
107.04918	1.3
109.02843	1.0
110.06034	0.8
114.05511	1.4
116.07088	0.8
117.06975	0.7
118.06543	0.6
119.04901	0.9
122.05994	1.3
123.04427	0.7
124.07568	0.8
125.57829	0.5
127.08657	0.6
130.05005	0.6
130.06479	1.4
133.06509	1.4
134.06000	1.5
136.07552	1.9
140.10611	0.9
144.08070	1.0
145.06425	1.2
146.06001	0.7
147.04378	2.4
148.07561	0.7
152.07062	1.2
158.11815	1.4
164.07062	1.6
172.11545	1.1
173.05881	0.9
173.07193	1.5
174.07825	0.8
175.08719	1.1
186.09116	0.9
187.08688	1.3
189.06627	1.3
189.10211	1.3
197.09474	1.0
199.08665	2.9
201.05403	0.9
201.08682	1.3
214.08592	1.9
214.10103	0.9
216.10220	5.5
217.09650	0.7
225.08980	0.7
226.09784	4.8
229.09732	1.6
230.09221	1.1
238.09865	0.7
239.10440	2.8
242.09132	6.5
243.10028	40.9
244.10745	10.7
254.09264	0.7
255.09962	1.7
256.10818	35.1
257.13199	0.8
260.09177	1.4
260.13022	0.7
267.11255	2.0
272.10306	100.0
273.10614	2.4
275.13782	0.8
284.10303	31.4
285.12396	1.8
302.11353	80.8
303.13208	2.8
320.12381	39.0
321.10623	0.8
321.14624	3.0
321.17807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2632
Annotation	Methyl arachidonate
Peak:m/z	Relative Intensity
51.02390	1.5
53.03937	5.1
53.18750	1.0
55.05514	15.5
57.07066	4.9
59.36620	1.0
65.03953	1.4
67.05509	45.7
69.06716	1.6
69.07072	16.0
69.56295	6.9
79.05498	67.1
81.07061	48.1
82.77488	1.0
83.04997	2.0
83.08624	10.1
83.57755	1.1
85.06540	2.3
89.00038	1.1
89.06035	3.8
90.09014	1.0
91.05492	27.0
93.07050	100.0
95.04984	5.5
95.08612	34.4
97.06555	3.1
97.10181	3.3
99.17664	1.0
105.04521	2.5
105.07034	14.9
107.07868	2.9
107.08598	55.2
109.06533	2.8
109.10161	14.3
111.80766	1.2
117.07037	3.2
119.08607	7.9
120.54423	1.2
121.10149	47.4
123.08086	1.4
123.11718	4.9
125.09650	1.8
129.06969	1.2
131.08545	6.7
133.10135	9.1
135.08096	2.3
135.11700	52.9
137.13300	1.8
143.08607	1.7
145.10147	4.2
147.11702	5.6
149.09691	1.3
149.13263	33.9
151.09773	1.2
151.11121	1.3
157.10152	2.1
159.11670	3.1
161.13255	3.8
163.11232	1.7
163.14810	12.0
171.11755	1.3
173.13330	3.7
175.14905	2.2
177.16434	3.4
187.14825	2.3
191.14307	1.2
191.18040	1.4
199.14944	1.8
213.16449	1.5
259.20746	1.6
263.19986	1.9
280.79749	1.2
287.23746	5.2
319.12833	2.6
319.26392	54.5
319.30081	2.2
320.26129	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	319.2269
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
52.29471	1.5
53.03938	7.5
55.01855	4.7
55.05515	25.0
57.03429	3.0
57.07062	6.8
58.55564	1.6
59.05000	3.7
59.46650	1.5
65.03926	3.6
66.39377	1.4
67.05510	46.3
69.03423	13.4
69.07068	42.2
69.38201	12.6
70.04082	30.0
70.06590	2.4
71.03748	2.0
71.04392	5.2
71.05000	9.3
71.08566	2.1
72.08164	8.0
79.05494	52.4
81.03404	4.5
81.07060	84.4
83.04990	8.5
83.08616	12.8
85.02882	4.2
85.06552	9.8
86.03270	1.8
87.00830	2.9
91.05485	39.7
93.07050	100.0
95.04996	13.6
95.08614	78.0
95.09238	3.5
97.02884	4.5
97.06528	15.1
97.10175	9.0
99.04452	3.5
99.08086	3.5
103.05496	2.7
105.07039	63.0
107.04970	3.3
107.08597	91.9
109.02876	4.8
109.06521	16.4
109.10159	66.7
111.08076	5.3
111.11673	3.4
113.05990	3.4
115.07571	3.9
117.07011	7.4
119.05013	1.8
119.08587	50.2
121.06513	6.1
121.10151	75.0
123.08066	8.5
123.11713	19.2
125.05991	5.6
125.09637	4.8
127.03886	4.3
127.07543	2.3
128.06219	2.8
129.06985	5.1
129.09201	1.8
131.08559	21.3
133.06509	3.7
133.10138	33.5
134.06053	2.3
134.09657	1.8
135.08089	7.9
135.11699	30.0
137.09645	14.1
137.13242	7.0
138.03117	2.8
139.11174	8.6
142.07721	4.0
143.08588	9.7
143.10681	4.2
144.09297	1.9
145.06473	3.0
145.10141	29.3
147.08070	6.0
147.11693	27.4
149.09639	10.5
149.13264	22.2
150.09175	1.9
151.03891	2.5
151.07497	2.7
151.11182	6.7
153.05487	25.0
153.09084	3.4
154.05818	1.8
155.08484	2.3
155.10709	2.0
156.09325	2.7
157.10152	11.4
159.08076	2.7
159.11703	17.8
161.09634	12.9
161.13249	9.9
163.03819	2.3
163.07477	2.2
163.11148	9.0
163.14864	10.3
165.09145	9.4
165.12714	2.7
167.10704	13.6
171.11737	10.0
173.09627	3.6
173.13266	17.0
175.11205	9.6
175.14806	9.5
177.12747	5.5
177.16364	3.0
179.10683	3.3
179.14252	2.6
181.12199	4.7
185.13258	11.5
187.14902	8.3
189.12732	2.6
189.16383	4.8
191.10675	2.3
191.14375	4.5
193.12144	3.4
194.02747	3.2
197.13280	3.1
199.14818	9.9
201.16367	3.5
203.14330	3.2
203.17961	4.9
205.12285	2.8
209.13376	2.6
209.15320	2.3
213.12891	2.5
213.16402	6.2
215.07022	2.2
215.14253	4.5
215.17921	2.0
217.15898	2.0
221.15427	1.8
227.14496	2.2
233.15370	2.1
235.17046	1.9
241.15866	2.1
241.19518	2.5
248.16470	2.0
249.18439	2.2
255.20969	8.5
259.09665	4.1
259.20444	2.1
265.19531	3.5
273.22195	6.1
276.07834	1.8
283.20563	6.9
291.23163	3.6
301.11719	4.1
301.21628	27.6
301.25027	3.5
319.15958	2.5
319.22665	65.6
319.26321	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	Ichthyouleolide
Peak:m/z	Relative Intensity
53.03944	3.1
55.01866	2.2
55.05514	13.9
57.07074	4.7
59.04985	1.9
62.64460	1.3
65.03943	1.9
65.99132	1.2
67.05511	18.6
67.11552	1.4
67.17407	1.3
69.03432	11.4
69.07076	13.2
69.52537	8.8
70.06578	2.1
71.04986	6.2
72.08170	3.0
78.72849	1.4
78.93781	1.3
79.05502	16.4
81.03454	3.7
81.07062	62.6
83.04987	3.5
83.08624	6.0
85.06562	2.3
85.63313	1.4
88.63696	1.2
91.05480	14.8
93.07049	32.2
95.04977	5.5
95.08050	2.8
95.08617	39.4
97.02860	1.8
97.06544	11.8
97.10204	7.2
100.11256	2.9
105.07037	28.5
107.08605	41.3
109.02885	3.7
109.06543	6.0
109.10165	30.7
111.08115	3.7
115.05512	1.8
117.07007	3.9
119.04934	5.4
119.08596	19.7
121.06508	6.0
121.10154	29.2
123.08069	4.3
123.11702	9.1
125.06010	3.8
125.09637	9.1
127.11176	2.6
129.07059	1.8
131.08589	9.9
133.06477	1.4
133.10139	27.9
135.04405	1.6
135.08067	6.0
135.11679	18.7
137.05956	2.7
137.09642	5.6
137.13240	4.5
138.03117	9.6
139.11177	4.3
142.07747	2.8
143.08603	3.6
145.10149	17.2
147.04424	6.9
147.08009	3.5
147.11667	9.9
149.09627	5.0
149.13292	8.1
151.03998	2.0
151.11224	4.8
153.05472	100.0
153.12738	1.6
154.05821	2.9
157.10158	5.2
159.08031	2.0
159.11685	12.5
161.09618	7.7
161.13240	7.6
163.11201	5.6
163.14885	3.2
167.10703	1.8
169.10237	2.3
171.11697	4.8
173.09648	2.7
173.13264	7.0
175.11201	4.8
175.14833	4.0
177.12785	3.3
177.16438	1.7
179.07065	1.6
185.13271	3.6
187.14818	4.9
189.16463	2.0
191.14348	6.3
191.17986	6.6
197.13309	3.1
199.14862	5.4
201.16351	7.7
203.14368	2.0
213.12799	1.7
213.16429	4.3
215.14375	2.9
219.17491	6.9
227.17796	2.1
231.17424	2.9
231.91693	1.7
239.92227	1.8
255.21083	2.7
259.10379	2.0
259.20566	2.2
265.19604	1.9
271.10724	1.7
273.22156	11.5
283.20538	8.8
291.22980	1.7
301.11795	9.5
301.21588	16.5
319.12839	4.0
319.22769	8.7
319.26337	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	319.2268
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
53.03938	4.0
55.01865	7.0
55.05510	22.3
57.07068	4.2
59.04988	4.0
63.20106	3.0
64.68230	2.5
65.01498	2.7
67.05180	3.6
67.05508	51.2
68.99783	2.8
69.03439	18.0
69.07073	35.1
70.06593	7.9
71.04996	22.5
71.54910	2.6
71.55372	4.6
72.08150	9.5
79.05489	27.7
81.03417	8.0
81.07061	68.7
83.04980	9.6
83.08624	10.3
85.06547	4.9
91.05492	39.5
93.07043	59.8
95.04983	20.5
95.08611	59.0
97.02885	4.9
97.06544	16.3
97.07087	2.9
97.10181	10.0
99.08084	9.4
103.05466	2.9
105.03410	3.2
105.07038	60.5
107.04943	4.7
107.08602	61.3
109.02891	18.5
109.06514	11.5
109.10163	87.8
111.04409	4.4
111.08092	3.3
111.11695	3.8
113.09654	2.8
115.05457	5.1
117.07005	15.0
119.05022	4.0
119.07790	4.3
119.08591	50.9
119.33874	3.1
121.06511	15.2
121.09323	5.2
121.10155	100.0
123.08065	8.7
123.11726	26.3
125.06033	3.8
125.09634	23.1
127.07542	9.2
127.11163	4.9
129.06973	12.1
130.07770	4.0
131.08578	24.2
133.06491	9.1
133.10130	53.5
135.08066	14.3
135.11694	40.2
137.06024	4.8
137.09641	37.3
137.13260	6.8
139.11208	33.2
141.12759	2.9
142.07773	5.8
143.08632	14.4
143.10516	2.8
145.10141	40.7
147.04448	8.5
147.08060	13.3
147.11734	18.4
149.06024	3.4
149.09612	12.0
149.13274	6.3
151.11180	7.4
153.05478	13.2
153.12738	10.7
155.08539	4.1
155.10690	4.0
156.09280	3.8
157.10121	21.5
159.08022	9.4
159.11671	20.3
160.08853	4.6
161.09628	42.2
161.13216	6.0
163.03935	4.0
163.11179	24.9
165.09129	29.6
165.12793	2.9
167.08597	3.7
169.10149	5.6
171.11774	18.0
173.09616	15.3
173.13293	28.9
175.11214	33.5
175.14827	5.9
177.09091	3.7
177.12778	5.3
179.10675	9.1
181.12206	4.8
182.10844	4.7
183.11606	5.3
185.09608	3.2
185.13268	8.6
187.07607	3.6
187.11253	4.3
187.14832	14.3
189.05591	2.8
189.12729	6.4
191.10681	8.4
191.14336	8.1
193.12257	7.1
197.13300	18.0
198.13802	3.1
199.11156	7.6
199.14853	9.5
201.12730	4.1
201.16422	3.6
203.14310	10.0
203.18016	5.0
205.12328	4.1
209.13263	5.0
211.14809	5.3
213.12820	13.8
213.16302	23.9
215.14331	28.8
216.43497	3.0
227.14412	6.8
229.15916	3.5
231.17418	32.6
233.15292	5.8
241.19565	5.6
245.15620	3.3
249.05495	5.2
255.21049	7.7
259.20645	6.8
265.19543	7.1
272.83151	3.0
273.14957	4.3
273.22180	12.8
283.20605	45.1
301.14389	9.1
301.18576	3.7
301.21616	78.5
319.12683	4.1
319.15747	6.5
319.22736	88.8
319.26489	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06115	0.5
53.07946	0.5
55.01848	0.7
55.05479	1.1
56.05008	1.1
57.03399	1.5
60.04501	0.7
61.87269	0.5
65.03911	0.6
67.05476	1.1
69.03383	1.9
69.07053	1.1
70.01573	1.3
70.01965	0.9
70.06605	4.9
71.04955	1.2
72.08165	8.2
73.08456	1.2
75.93217	0.5
79.05470	1.1
81.03402	1.0
81.07030	1.0
83.04974	1.2
84.04478	1.4
84.08134	3.5
85.02869	2.5
86.09701	3.8
87.05547	0.8
87.10030	0.6
88.03951	0.6
89.03863	0.6
91.05452	1.6
93.07019	0.8
94.06534	0.5
95.04951	1.1
96.04392	0.7
97.02841	2.3
98.06029	0.9
98.09674	0.8
99.08067	0.7
105.07030	0.7
107.04942	1.0
109.02870	0.7
110.07138	0.9
111.04409	1.3
116.07082	0.6
119.04883	0.8
119.08523	0.7
120.08108	1.4
122.06052	1.1
124.07571	0.9
127.03894	0.5
129.06961	1.0
129.10207	1.2
130.06483	2.3
132.10181	0.9
133.06424	0.6
134.05936	0.7
136.06061	0.7
136.07532	1.1
137.05994	1.0
138.05472	1.1
138.09084	0.8
139.11192	0.7
146.06013	1.1
147.04402	1.6
150.05530	1.2
151.03938	0.6
157.04959	0.9
157.07620	4.1
157.12144	0.7
159.11272	1.8
160.07567	0.6
160.11627	1.4
161.05904	0.9
162.05403	0.7
164.07072	0.6
166.04944	0.8
167.07217	0.6
168.08063	0.7
169.07643	1.3
170.08287	0.8
171.09219	1.6
172.03990	1.0
173.08093	0.7
174.09157	1.0
174.13068	0.5
178.04999	1.1
182.09659	1.1
183.09171	1.0
184.09929	2.4
185.10725	0.8
188.11038	1.0
197.07063	1.0
198.07851	1.3
199.08688	1.6
199.12276	1.9
200.10747	1.2
203.08232	2.6
208.06039	0.7
209.10812	1.1
210.08946	0.6
211.08630	2.5
212.09444	4.1
213.10289	3.3
214.08685	1.0
216.12312	1.7
225.10249	4.1
226.11038	8.6
227.11810	13.5
228.10257	4.9
229.09787	0.9
240.19400	1.2
241.09767	1.8
242.08121	1.0
245.12921	0.8
254.10611	0.8
255.11311	8.1
257.09082	0.7
257.12900	2.2
259.10748	1.1
270.10013	17.3
271.10767	3.4
272.11557	17.3
273.12369	10.6
283.10837	9.4
301.11871	100.0
301.15424	7.2
302.12183	2.4
319.12915	35.2
319.16412	2.7
320.13174	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
56.05026	0.9
57.03418	1.9
60.08156	2.7
65.03946	9.7
67.05497	2.5
69.03412	1.2
69.07063	1.6
69.77555	0.8
70.01875	2.7
70.06580	3.3
72.08147	3.0
73.40218	0.8
79.05486	3.2
80.05012	1.5
81.05791	1.1
81.07056	3.0
82.06550	1.0
83.04972	0.9
86.00657	1.2
86.54353	0.8
92.05017	10.0
93.07027	1.2
94.06571	2.2
95.04981	1.6
95.08611	1.4
96.04478	1.8
96.08138	10.0
97.06541	1.2
98.09695	1.4
98.21450	0.9
105.07053	1.5
106.06537	1.0
107.07313	0.8
107.08616	1.0
108.08084	1.2
109.06544	0.9
109.10214	1.3
110.06031	1.8
111.03236	0.8
111.04462	0.8
118.06548	0.9
120.08127	1.7
121.10116	1.1
122.06026	3.6
122.09653	1.3
123.08031	1.3
124.07592	7.3
125.08433	1.0
126.09152	14.9
129.07030	1.3
134.06004	1.0
137.06035	0.8
138.05496	2.2
138.09157	6.6
144.08093	1.6
146.06015	0.9
148.03967	4.3
148.05003	1.1
150.05505	2.3
150.09164	2.6
151.32019	0.9
152.03406	1.1
152.07076	48.9
153.01860	1.2
154.06511	3.9
156.08405	7.5
157.07596	1.2
158.09633	1.3
164.03423	1.8
166.05013	100.0
169.07533	1.0
169.08876	0.9
171.09271	1.4
172.07542	1.2
174.05519	1.1
174.09218	0.9
176.03423	17.0
182.04497	17.3
182.06041	13.5
184.07565	1.4
184.09958	1.7
185.08369	1.5
185.10797	1.1
186.09219	1.5
187.08598	1.1
194.04538	9.9
194.08362	1.2
196.09946	0.9
197.07054	1.2
197.10657	1.2
198.07776	2.0
198.09328	2.7
199.08681	3.5
199.12357	1.6
200.07072	2.0
200.10852	4.4
209.10771	2.0
210.09407	1.3
211.08701	3.2
212.07480	1.5
212.09317	7.8
213.06674	0.8
213.10205	2.7
214.08659	1.1
215.08189	3.7
216.06981	1.1
216.10526	9.1
222.07764	0.8
225.06639	1.3
225.10255	5.5
226.08780	1.0
226.10797	1.0
227.08199	3.2
227.11758	8.5
228.10260	5.0
229.09813	1.6
229.13449	1.1
230.08195	1.4
233.09268	4.1
239.08138	1.6
240.08754	6.2
241.09746	3.6
242.08173	5.0
242.10289	1.3
243.11324	3.6
245.09268	1.6
253.09787	8.7
254.08093	2.6
255.11343	8.0
256.09760	1.0
257.09317	4.9
257.12668	4.0
259.07227	6.9
259.11087	4.2
260.09192	13.2
261.12390	2.4
270.10001	3.7
271.10791	21.7
272.09100	2.5
272.11630	2.9
273.08923	2.0
273.12369	9.6
274.10571	0.9
283.10785	74.4
284.11163	1.6
288.11038	1.6
289.11786	16.0
301.11838	66.6
319.12918	72.0
320.13226	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
53.20543	0.4
55.05513	2.5
57.03424	1.0
57.38305	0.6
65.03951	4.1
67.05505	4.4
69.03426	0.6
69.07076	2.3
69.61797	1.0
69.62203	2.6
70.06592	1.0
72.08164	3.4
79.05486	2.9
79.06794	0.5
80.05022	1.2
81.07046	4.1
83.04995	0.7
83.08633	0.5
84.08154	0.6
91.05490	2.6
92.05003	5.1
93.07059	3.7
94.06552	0.6
95.04950	1.1
95.08624	3.1
96.08115	1.7
97.02885	0.8
97.06546	1.1
97.10175	0.6
103.05482	0.5
105.07035	2.1
106.06521	1.2
107.04926	0.6
107.08578	2.5
107.39640	0.5
108.04471	2.1
109.06512	1.0
109.10166	3.3
110.06022	1.6
110.09695	1.2
110.10429	0.5
111.08053	0.8
117.07041	0.7
118.06542	1.0
119.08616	2.5
120.04453	2.2
120.08129	1.0
121.06454	0.7
121.10120	1.6
123.04451	0.9
123.06840	0.6
123.08018	0.9
123.11783	0.6
123.79044	0.5
124.03902	0.5
124.07603	3.2
125.05981	0.9
125.08354	1.4
125.09627	0.6
127.03891	0.5
128.06161	0.6
129.07004	1.2
130.06508	0.6
131.08560	1.4
132.08058	0.8
133.10103	1.7
135.08018	0.6
135.11725	0.9
136.03940	8.3
137.94116	0.5
138.05513	1.3
138.09142	25.5
141.06961	0.6
142.06691	0.5
142.07753	0.9
143.08469	0.8
144.08110	1.3
145.08925	0.6
145.10130	1.4
146.09642	0.5
147.11687	1.1
149.09573	0.7
149.13251	1.0
150.09190	0.7
151.03868	1.0
153.05447	2.5
154.04993	4.6
154.06377	0.8
155.08569	2.3
156.08080	1.0
157.10057	1.1
158.06100	0.5
158.09683	1.3
159.11752	1.5
164.03448	6.6
167.07310	1.7
168.08080	1.0
169.07593	0.6
169.08904	1.1
170.09677	0.9
171.10413	0.9
171.11765	0.6
172.09860	0.7
173.10773	0.7
174.12776	1.2
175.14772	0.7
176.03430	2.1
177.05449	0.6
182.04507	17.6
182.05971	0.8
182.09694	1.2
183.07860	0.6
183.09288	1.2
184.09915	1.1
184.11256	2.2
185.07143	0.8
185.10670	0.6
185.13289	0.7
186.12813	0.9
195.06818	0.6
196.09923	1.1
197.08528	0.6
198.07864	1.7
199.08646	3.8
199.12373	0.9
200.09496	1.5
201.10130	0.6
201.13882	7.5
202.12373	1.0
209.10745	1.2
210.09175	2.8
211.08629	1.6
211.12390	1.2
212.09335	2.1
212.10765	2.5
213.06531	1.0
213.10268	0.7
214.12303	2.1
225.06630	1.0
225.10298	0.6
226.07318	0.7
226.10973	1.2
227.08177	1.8
227.11751	3.9
228.08751	2.9
229.13347	45.0
230.11754	1.3
230.13704	0.7
233.05402	0.5
238.08638	1.6
239.08200	0.9
239.11815	1.8
240.10332	1.5
241.09705	0.9
242.08177	0.6
242.10442	0.7
245.09169	0.6
248.16489	0.7
255.07616	2.7
255.11246	9.8
256.09460	0.6
257.12860	31.3
258.11224	2.0
259.10818	2.9
272.07828	2.8
273.12341	9.2
283.10770	12.5
283.20438	0.7
284.09137	14.8
290.08963	1.0
291.13461	2.6
301.11826	33.6
301.21478	1.5
319.12881	100.0
319.22601	2.6
320.13065	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01853	0.5
55.05502	1.1
56.05036	0.5
57.03423	1.4
60.04526	0.9
61.02917	1.3
67.05496	0.9
68.05044	0.5
69.03431	4.2
69.07071	2.7
70.06598	3.2
70.07403	0.7
71.04994	0.7
71.46376	0.6
72.08158	4.6
73.02904	0.6
73.08486	0.4
79.05495	0.8
80.05008	0.3
81.03422	1.8
81.07041	0.4
82.02958	0.5
82.06583	0.7
83.04971	0.6
83.08624	0.4
84.04505	0.7
84.08139	1.0
85.02910	6.7
86.09702	3.6
87.04478	0.8
89.10786	0.4
91.03944	0.5
91.05471	0.4
93.07072	2.0
94.06562	0.4
95.04966	0.3
95.08628	1.6
96.04494	3.2
96.08163	1.7
97.02902	4.1
97.05279	2.3
97.06536	1.0
98.09700	0.9
99.04457	0.8
99.10004	0.4
100.07623	1.2
103.05470	0.3
108.08073	0.3
109.02903	1.7
109.06503	0.4
110.06042	6.3
110.09692	4.1
111.08084	0.8
114.05531	0.5
114.09212	0.4
114.16825	0.3
116.07085	0.4
120.08092	1.5
121.06506	1.3
121.12208	0.3
122.47144	0.3
123.08064	0.4
124.07591	0.3
125.08373	0.7
126.09163	8.7
127.03934	1.9
128.07031	0.4
128.10759	0.5
129.10220	0.4
130.06523	0.5
136.07545	0.5
137.06038	0.3
138.05551	1.9
138.09149	20.5
139.07544	1.5
143.03302	0.3
145.04988	0.8
147.04420	0.4
147.84848	0.3
148.95250	0.3
150.09055	0.4
150.63316	0.3
153.01791	0.3
156.10211	100.0
157.10524	0.6
159.11317	0.4
165.07076	0.4
168.10216	1.0
173.12891	4.0
180.10197	0.9
183.08159	0.4
198.11232	0.8
201.12402	0.8
221.55624	0.4
222.11266	0.4
230.05298	0.3
237.05460	0.3
237.09126	0.4
241.08687	0.3
255.06537	1.0
257.19550	0.4
272.42178	0.3
300.10803	0.5
301.11407	0.6
318.06927	1.6
318.10297	0.4
318.12018	0.4
318.15414	1.4
319.12814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01866	1.3
55.05498	1.8
56.05024	0.9
56.96556	0.6
57.03452	2.5
61.02930	3.4
67.01823	0.5
67.05517	1.1
68.05021	2.2
69.03079	0.7
69.03429	9.0
69.07063	0.9
70.06596	11.1
71.04984	1.1
71.54110	0.6
72.04537	1.1
72.08154	7.6
73.02926	2.2
80.71885	0.5
81.03422	3.0
82.06579	0.7
83.04975	0.6
84.04517	4.7
84.08144	1.9
85.02911	19.6
86.09710	26.3
87.04461	1.9
88.04001	1.1
91.03962	1.3
91.05532	0.5
96.04497	30.2
97.02908	6.9
98.06046	0.5
98.76205	0.4
98.97582	0.6
99.04456	1.8
100.07613	0.5
102.01778	1.1
102.05549	2.0
103.03920	0.6
109.02915	2.4
110.06028	2.2
110.07188	0.8
111.04477	2.4
112.12339	0.4
114.05534	2.6
119.05041	0.6
120.04503	0.6
121.02854	0.7
122.06012	0.6
123.04408	0.6
124.07622	0.8
127.03938	4.1
128.07086	0.8
130.05000	1.1
130.06531	0.7
134.05995	0.7
138.05513	48.5
139.03914	3.1
139.06223	0.6
141.10242	1.7
143.11800	3.6
145.04967	2.2
148.06047	1.6
152.07050	0.6
156.06563	100.0
157.13411	2.9
163.03954	0.8
169.09747	1.6
185.12910	0.5
185.16496	5.3
197.12907	2.3
197.14572	0.6
198.07626	0.9
198.13213	1.0
201.12387	1.2
201.14156	0.6
213.16002	1.8
215.13832	1.0
225.12378	1.2
234.98836	1.0
261.10745	1.1
261.89090	0.5
276.10815	1.3
314.69464	0.5
318.03461	0.7
318.11832	13.3
318.15268	0.8
318.30316	0.7
319.07623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2476
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
53.03966	4.3
53.99325	2.1
55.05519	18.3
57.07079	10.3
59.04999	2.5
65.03928	3.6
67.05514	17.1
69.07073	42.7
69.07421	4.5
71.08640	4.3
78.64340	2.4
79.05501	100.0
81.07058	41.0
83.08621	18.8
91.05490	26.1
93.03426	4.5
93.07053	33.1
95.04982	8.1
95.08614	39.0
97.10185	9.9
98.20733	9.1
105.07037	46.1
107.04967	43.2
107.08603	28.2
109.06548	8.1
109.10164	35.2
109.56364	2.5
111.08085	3.6
111.11721	3.2
117.07010	7.3
119.04960	4.4
119.08598	39.5
121.06449	3.9
121.10139	21.3
123.08097	5.8
123.11712	14.0
125.06012	6.0
125.13299	3.2
129.07047	3.1
131.08588	20.0
133.06514	8.1
133.10149	29.2
135.08064	3.6
135.11742	7.7
137.13284	7.6
139.07549	76.2
143.08574	4.9
145.10136	32.4
147.08070	6.4
147.11719	20.5
149.09630	5.4
149.13297	8.3
151.07558	15.9
151.14909	3.1
157.10060	4.3
159.08098	10.5
159.11664	19.2
161.09634	63.0
161.10942	4.8
161.13248	19.7
163.07561	9.2
163.14827	3.8
165.09157	12.5
165.50903	2.5
173.09654	15.5
173.13266	15.7
175.11197	17.8
175.14853	11.6
177.09169	2.8
179.10678	3.7
183.11702	3.1
185.13290	4.7
187.11143	5.4
187.14871	16.9
189.12747	4.7
191.10680	7.7
191.17984	4.3
193.12250	13.6
201.12766	5.4
201.16429	17.9
203.14333	24.0
205.12276	18.1
207.13855	4.5
215.14381	9.9
215.17847	2.5
219.13837	3.5
221.15378	4.6
229.15906	9.9
229.84251	3.0
235.16910	2.8
247.17039	2.8
257.22647	59.8
261.18790	3.0
267.21085	7.6
275.20364	3.5
285.22107	36.7
302.04272	10.1
317.06598	11.1
317.21500	4.6
317.24817	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2477
Annotation	Cannabigerol
Peak:m/z	Relative Intensity
51.53358	0.5
53.03941	1.4
55.01866	1.5
55.05512	16.2
57.03433	1.1
57.07080	5.4
59.04987	0.6
65.03925	1.5
67.05508	17.6
67.27607	0.5
69.03442	3.5
69.07072	24.9
69.55212	3.9
71.04984	1.3
71.08623	2.4
72.08134	0.8
72.96528	0.5
79.05066	0.9
79.05498	15.0
81.06582	1.2
81.07061	23.2
83.04972	1.4
83.08628	8.7
85.06541	1.1
91.05483	19.8
93.07047	25.6
93.97131	0.6
95.04988	3.8
95.08608	15.0
97.06527	2.2
97.10160	1.3
98.21471	1.2
98.98488	0.6
103.05471	1.2
105.07033	40.7
106.28525	0.5
107.05000	1.5
107.08603	20.3
109.06522	8.8
109.10155	6.0
111.08092	2.0
115.05478	1.0
117.07005	5.8
119.08584	35.9
121.06507	21.6
121.10151	7.6
123.08088	4.1
123.11686	2.9
129.05484	0.7
129.07043	1.3
131.08577	10.2
133.06558	0.6
133.10136	17.6
135.08067	16.4
135.11691	8.7
139.11189	0.5
143.08556	1.9
144.09367	0.8
145.10109	9.5
147.08093	0.9
147.11688	12.4
147.12793	1.0
149.09651	3.1
149.13278	3.9
151.11188	1.0
153.05493	1.2
153.12738	0.6
157.10126	1.7
159.11691	5.9
161.09660	2.3
161.13257	14.4
163.11185	13.8
163.14804	1.7
165.12793	4.4
171.11778	0.7
173.13248	2.9
175.11250	1.2
175.14838	7.2
177.12753	15.0
177.14267	1.1
179.14336	1.3
183.11674	0.6
187.14856	2.0
189.12694	1.0
189.16386	4.7
191.14305	2.4
197.13297	0.7
201.16408	1.5
203.14310	1.0
203.18053	1.0
205.15903	2.0
205.19539	0.7
211.14920	0.7
215.14262	0.6
215.17923	0.9
219.17400	1.4
225.16248	0.6
233.19025	1.7
261.18518	2.5
261.25922	1.2
271.24219	2.7
275.20123	2.0
278.59583	0.6
289.25266	16.6
290.25546	0.8
299.23676	5.0
302.04233	2.4
317.06567	2.6
317.24768	100.0
318.25076	2.5
332.75763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32465	0.6
53.03979	0.6
55.01872	0.9
55.05513	3.0
56.05035	1.5
59.05004	0.5
67.05503	2.6
68.05008	0.7
69.03429	2.0
69.07083	3.6
70.06602	14.6
70.10847	1.9
71.05016	1.1
71.06960	0.7
72.08163	100.0
75.86988	0.5
79.05508	3.5
81.03435	10.3
81.07062	4.2
83.04984	3.4
83.08630	3.9
84.04516	3.6
84.08154	3.5
85.02930	1.3
85.06491	0.6
86.09713	4.1
87.04472	0.8
87.10051	0.6
89.10802	25.8
91.05506	2.3
93.07046	2.7
95.04962	3.6
95.08623	1.5
97.02895	0.7
97.06547	1.8
97.10205	0.7
98.09705	46.4
98.20799	0.7
105.07060	1.9
107.04989	1.1
107.08602	2.3
109.02927	0.7
109.06548	0.8
109.10175	3.4
111.04446	1.2
111.08096	1.5
116.07124	1.5
119.08611	1.8
121.06532	0.7
121.10168	1.3
127.03961	0.8
129.07008	0.9
131.08604	1.3
133.10150	1.6
135.08086	0.6
137.06125	0.6
138.05548	1.0
147.11694	1.3
149.09647	0.7
152.10742	1.2
157.10246	1.0
170.10442	0.6
170.11836	1.7
175.11264	1.4
188.12862	4.0
193.12286	9.5
211.13312	13.4
211.15260	0.8
228.15935	1.1
238.18013	4.6
239.18483	0.6
243.11349	0.7
253.09741	0.6
254.13828	0.7
254.17677	2.3
256.19116	16.6
256.21680	1.0
271.11191	1.0
273.21738	1.4
282.20773	1.6
287.10336	1.6
299.10294	4.4
299.23318	18.1
300.09821	1.3
300.14734	0.7
317.07019	1.0
317.11484	4.2
317.17374	1.8
317.24469	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	317.2111
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
53.03940	3.2
55.01854	3.4
55.05515	17.2
57.03429	2.5
57.07072	7.2
58.64711	1.8
59.04997	8.4
65.03947	2.0
67.05508	64.3
69.03425	7.2
69.07065	5.0
70.06614	4.2
71.00920	3.4
71.04987	3.4
72.08151	6.4
79.05490	16.6
81.06593	2.1
81.07064	37.9
83.04990	4.2
83.08620	2.8
87.79083	1.8
88.07619	7.2
91.05494	21.0
93.07047	23.2
95.04974	30.2
95.08607	26.6
97.06542	11.2
98.09676	3.8
102.09180	4.3
105.07037	20.5
107.08595	46.2
109.06524	21.4
109.10162	97.7
117.07002	3.4
119.08585	72.0
121.06535	9.6
121.10150	6.8
123.08071	30.9
125.06006	2.4
125.09646	2.2
128.06207	3.8
131.08572	7.7
133.06529	4.6
133.10110	10.8
135.08040	15.1
135.11681	3.7
137.05969	3.1
137.09625	80.5
142.07788	2.5
142.71233	2.5
143.08553	6.1
145.10149	11.0
147.08040	6.6
147.11693	6.1
149.09634	7.9
151.07561	72.9
151.11177	1.9
153.05479	12.1
155.08545	3.0
156.09370	4.8
157.10144	4.6
159.08063	3.4
159.11729	4.6
161.09724	9.5
161.13322	4.9
163.07542	2.4
163.11215	4.5
165.09106	9.1
169.10075	3.1
171.11711	7.9
173.09654	4.5
173.13266	3.4
174.10410	3.6
175.11205	3.3
177.09134	5.2
181.08612	5.2
181.12242	3.3
183.11659	2.7
189.12762	34.1
191.10672	2.4
191.14360	2.2
197.13313	4.7
203.14357	3.8
207.13837	32.7
215.14388	3.6
217.12257	2.0
221.15366	2.7
225.12875	2.2
233.15263	4.1
237.14798	10.0
240.69937	2.1
243.13789	11.3
253.11253	2.1
256.26331	9.2
261.14896	7.0
269.72180	2.1
278.61890	2.1
281.19128	2.2
297.91916	2.3
299.20135	8.4
302.04218	6.6
317.06516	4.6
317.21136	100.0
317.28781	3.3
318.30017	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03959	4.1
55.05509	9.9
56.32252	1.8
65.03942	2.8
65.23083	1.6
67.05510	19.9
67.62290	1.9
69.03420	2.6
69.07067	14.2
70.06609	3.0
70.47467	2.9
70.47826	5.7
71.04987	2.8
72.08160	16.7
77.03951	1.9
79.05499	18.8
80.54195	2.6
81.03424	3.1
81.07063	28.3
83.04965	2.4
83.08617	5.2
84.08140	2.5
85.06523	2.0
86.90283	1.7
91.05476	15.4
93.07048	34.4
95.04978	5.8
95.08611	30.8
97.02882	3.8
97.06521	10.6
97.10168	4.1
98.09705	5.1
103.05472	4.1
105.07040	41.8
105.39583	2.1
107.04948	2.9
107.08606	30.1
109.06543	5.9
109.10170	28.8
110.03674	4.2
111.04485	3.1
111.08053	2.8
114.18299	1.9
117.07019	4.0
119.08584	27.5
121.06492	5.5
121.10154	25.7
123.11716	7.5
125.06007	5.9
125.09676	3.0
131.05043	2.7
131.08601	9.7
133.06554	3.5
133.10132	23.2
135.11702	11.4
137.02353	4.4
137.06009	4.5
137.13312	2.2
138.03136	12.2
139.11124	1.9
141.07068	2.3
142.07965	2.0
143.08562	6.1
145.10155	14.7
147.08069	2.4
147.11702	15.9
149.06010	4.9
149.13272	9.7
151.03929	7.4
151.07564	5.7
151.11250	3.2
153.05478	100.0
154.05873	2.5
155.08606	3.0
157.10147	5.8
159.11702	12.7
159.64841	2.0
161.09689	2.8
161.13260	8.5
163.14844	2.8
164.07062	1.9
165.05482	2.7
165.09158	3.5
167.03444	5.7
167.07219	2.8
168.98843	1.9
169.10295	2.3
171.11664	2.8
173.09702	3.3
173.13354	8.9
174.10016	2.5
175.11275	2.8
175.14813	3.0
177.05511	14.0
177.16440	2.2
181.28285	1.8
185.13367	2.3
187.14851	4.6
189.12758	2.1
189.16408	12.5
191.10822	2.1
193.04930	2.0
193.12270	3.8
197.06201	1.9
197.10776	3.8
197.13283	3.3
200.04826	2.6
200.12108	1.9
203.14391	2.8
219.13722	3.7
221.15538	1.9
225.10262	7.4
228.04160	3.9
229.04973	3.7
229.19516	4.6
239.07117	3.5
243.10397	2.6
243.21089	9.1
253.09714	2.4
253.19453	3.6
256.19260	3.9
257.04361	3.9
271.10666	7.0
271.20627	5.3
274.04712	5.8
285.03973	2.4
289.21671	3.6
299.10278	24.2
299.20151	9.3
299.23267	2.8
301.03491	15.7
302.04202	52.7
317.06558	71.0
317.10834	25.3
317.17487	2.6
317.21191	23.3
317.24478	4.3
318.07065	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	317.2112
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
53.03938	2.3
55.01867	3.1
55.05508	14.4
56.94784	2.0
57.07084	10.0
58.25388	1.6
59.04990	6.1
65.03934	3.7
67.05506	62.5
69.03426	5.1
69.07053	7.0
69.81324	7.8
70.06585	5.7
71.04977	2.9
72.08154	6.2
78.66137	1.7
79.05504	14.4
81.03410	2.0
81.07059	32.0
83.04984	2.0
83.08630	3.7
85.06547	2.7
88.07619	3.6
89.10802	1.6
91.05484	17.4
93.07048	22.4
95.04972	27.8
95.08604	27.0
97.06539	8.2
98.09689	3.0
102.09187	3.2
105.05241	1.5
105.07040	19.4
107.04967	2.4
107.08600	38.7
109.06521	18.4
109.10165	100.0
111.08094	2.0
117.07015	6.8
119.08589	59.6
121.06487	6.6
121.10170	9.6
123.08076	27.4
125.05965	4.2
129.07007	3.0
131.08597	8.8
133.06499	5.0
133.10112	9.4
135.08066	13.7
135.11714	3.5
137.06010	3.0
137.09630	73.1
143.08557	5.7
145.10146	11.0
147.08028	7.4
147.11697	6.4
149.09602	5.3
151.07552	65.8
153.05446	11.8
155.08551	2.3
156.09366	4.5
157.10118	3.5
159.08047	4.1
159.11746	5.2
161.09627	10.4
161.10835	1.7
161.13327	3.8
163.11195	5.8
165.09129	8.1
167.07108	3.0
169.10141	2.5
171.11697	5.4
173.09613	3.9
173.13252	4.5
174.10374	2.2
175.11206	3.2
177.09105	5.8
179.10718	2.0
181.08662	6.2
181.12241	5.5
182.10942	1.9
185.13226	1.8
189.12759	28.2
191.10631	1.8
197.13287	3.2
199.11157	4.5
201.12743	3.2
203.14410	2.5
207.13824	27.3
213.12598	1.9
215.14397	5.3
217.12321	2.7
219.13844	2.0
221.15312	4.7
225.12663	2.5
233.15515	2.3
237.14847	8.3
243.13837	9.5
253.19839	1.9
256.26434	6.9
259.17178	1.8
261.07242	2.0
261.14932	5.4
263.18112	2.0
281.18948	3.8
293.90167	1.7
299.20047	13.1
302.04184	5.0
317.06564	7.1
317.21143	91.7
318.30255	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	317.1021
Annotation	(-)-Mucroquinone
Peak:m/z	Relative Intensity
51.08324	0.2
53.03939	0.5
55.01868	0.4
55.05514	0.4
65.03948	1.4
67.05526	1.1
69.03437	0.2
69.07072	0.6
70.71126	0.4
70.71500	0.5
72.08168	1.1
76.96324	0.2
79.05501	2.4
81.03416	0.6
81.07056	0.5
81.49936	0.2
82.04183	0.4
83.04960	0.2
83.08581	0.3
91.05499	1.8
93.03439	0.4
93.07063	2.3
95.04986	1.3
95.08546	0.3
97.06542	0.5
98.09724	0.4
103.05476	3.8
103.40656	0.2
105.07032	0.7
107.04955	1.0
107.08577	0.5
109.02849	0.2
109.10179	0.5
110.03684	1.7
110.79408	0.2
111.04456	0.6
117.07059	0.2
119.08563	0.7
121.06509	1.4
121.10140	0.3
123.04416	0.6
125.05999	2.1
129.45882	0.2
131.04942	2.6
133.02905	0.3
135.04404	0.4
135.08020	0.3
135.11687	0.3
138.03133	11.9
138.05475	0.4
145.10133	0.4
147.04401	0.4
147.11827	0.2
149.05997	2.6
149.09645	0.3
151.03937	1.6
152.07098	0.4
153.05478	100.0
154.05826	1.0
159.04381	0.7
161.09572	0.3
162.03056	0.3
165.05479	1.0
165.06898	0.5
166.05029	1.5
167.07082	0.3
167.08472	0.3
173.13403	0.3
177.05484	13.3
180.06525	0.4
183.08034	0.4
193.06570	0.2
211.07547	0.5
212.56808	0.3
239.07074	0.7
256.19125	0.3
257.12747	0.4
271.09647	0.4
272.11533	0.6
275.09244	0.7
285.07620	0.8
285.12372	0.8
289.07428	0.5
289.10764	1.3
299.09186	0.5
299.20068	0.3
301.03442	0.4
302.04230	1.6
303.13562	0.5
317.06604	2.7
317.10239	11.1
317.14911	2.2
317.21027	0.5
317.24814	0.5
318.06778	0.2
318.10532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43284	0.8
53.03941	1.7
55.01863	3.1
55.05517	5.5
56.05040	4.1
57.03441	3.6
60.04510	3.2
61.58813	0.7
64.40842	0.7
65.03924	1.0
67.05187	1.3
67.05511	20.8
67.48174	0.7
68.05003	0.8
69.03441	4.1
69.07076	10.5
70.06602	18.1
71.04980	3.1
71.54182	0.8
72.04495	1.9
72.08164	85.9
73.08472	2.2
79.05497	9.1
81.03419	6.7
81.07064	9.4
82.06556	1.9
83.04958	2.3
83.06094	2.4
83.08632	4.2
84.04514	57.7
84.08159	5.4
85.02918	4.3
86.09219	1.2
86.09715	17.1
87.04459	0.8
87.10037	6.6
88.03962	1.1
89.10803	16.4
91.05477	4.6
93.07050	8.8
95.04970	3.4
95.08639	1.8
96.08134	1.4
97.02885	2.6
97.05997	1.1
97.06544	13.6
97.10188	1.3
98.06072	1.4
98.09703	28.0
99.04466	1.1
102.05539	3.1
105.07048	3.6
107.04942	1.8
107.08601	15.0
108.08127	4.6
109.02885	1.3
109.06531	1.9
109.10169	70.5
110.06045	5.3
110.09668	4.4
110.10419	1.6
111.04431	1.4
111.08070	2.6
115.07523	0.9
116.07084	3.8
117.07446	1.6
119.08571	2.1
120.08125	1.5
121.06499	0.9
121.10135	1.3
123.08041	1.1
123.11706	0.8
124.07613	3.5
124.11244	9.2
125.09667	4.3
127.03903	1.9
127.07685	0.8
128.10712	4.2
129.06610	1.7
130.05034	8.6
130.06500	1.8
133.10172	1.1
134.05995	0.8
134.09680	7.7
135.08044	7.3
137.06007	2.7
137.09587	0.9
138.05493	2.4
147.11623	1.1
151.07549	1.4
152.10721	26.7
153.01859	1.0
153.05478	0.8
153.09161	5.1
154.08632	1.2
155.07068	4.9
155.08948	2.7
156.06548	0.8
156.10210	1.8
157.10110	1.7
161.05978	0.9
162.12811	1.3
165.01912	0.7
170.06075	0.8
170.11786	34.1
172.15334	1.3
173.12770	0.7
174.13196	1.7
175.11212	1.1
187.07516	0.8
188.12843	100.0
190.12283	8.1
193.12262	4.0
196.09735	0.9
198.07832	0.7
199.08713	0.8
199.18127	1.4
200.14806	1.0
200.18411	2.8
203.13959	0.8
208.13356	6.9
210.07594	0.8
210.71771	0.7
211.07582	1.0
211.13332	9.7
213.10350	1.2
218.11880	1.9
225.10117	1.0
228.15898	1.0
228.17972	1.5
229.12358	0.9
230.17714	1.2
236.12843	9.0
238.18088	3.3
243.11464	0.9
253.09874	1.4
253.15495	2.3
254.13902	18.2
256.19122	14.0
257.04520	1.0
271.10800	2.7
273.21799	1.4
282.20563	1.1
287.10294	7.4
287.13080	1.0
289.11804	1.6
299.10321	9.6
299.16080	9.2
299.23270	10.3
300.09665	1.0
300.10873	1.4
300.14417	16.8
302.04297	2.2
317.06726	5.2
317.11459	12.9
317.17160	35.9
317.24371	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	317.102
Annotation	(-)-Mucroquinone
Peak:m/z	Relative Intensity
50.01590	0.3
53.03936	0.7
55.01865	0.9
55.05504	0.7
57.07085	0.4
59.04991	0.3
65.03931	0.8
67.05504	2.2
69.03423	0.5
69.07078	1.5
70.06551	0.4
71.08636	0.3
71.47197	0.4
72.08163	2.0
79.05491	2.6
81.03421	0.6
81.07055	2.0
82.04189	0.4
83.05004	0.3
83.08604	0.6
84.08142	0.6
86.09686	0.3
89.10786	0.4
91.05479	2.5
93.03381	0.4
93.07052	2.3
95.04980	1.8
95.08598	1.5
97.02895	0.6
97.06522	0.7
98.09708	0.7
103.05466	4.2
105.03374	0.3
105.04514	0.4
105.07045	1.8
107.04954	1.1
107.08594	1.8
109.06517	0.4
109.10188	1.3
110.03673	1.5
111.04456	0.5
111.08103	0.3
117.06995	0.5
119.08577	1.6
121.06526	1.6
121.10136	0.8
123.04436	0.6
123.08095	0.4
123.11742	0.4
125.06001	2.0
129.06995	0.4
131.04950	3.0
131.08554	0.7
133.06494	0.3
133.10167	1.0
135.04439	0.5
135.08066	0.3
135.11678	0.5
137.09631	0.6
138.03123	11.3
139.03871	0.3
143.08525	0.7
145.10132	1.1
147.04413	0.5
147.08060	0.5
147.11702	1.0
149.05980	2.3
149.09633	0.3
151.03912	1.3
151.07611	0.6
153.05470	100.0
154.05826	0.8
157.10149	0.7
159.04445	0.7
159.11705	0.6
161.09636	0.7
161.13255	0.4
163.03836	0.3
165.05476	1.2
165.06947	0.5
165.09103	0.3
168.00644	0.3
171.11801	0.4
173.13243	0.5
175.14848	0.3
177.05473	15.0
189.12808	0.4
189.16479	0.3
211.07564	0.5
229.08705	0.3
239.07056	0.7
243.10199	0.3
243.13809	0.4
246.18608	0.4
267.06424	0.4
271.09760	0.5
275.09171	0.5
285.07480	0.4
289.07175	0.5
289.10712	1.2
299.09180	0.9
299.20126	0.8
299.23361	0.3
301.03424	1.1
302.04218	3.9
317.06555	5.5
317.10229	12.6
317.18027	0.4
317.21118	2.0
317.24817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.102
Annotation	(-)-Mucroquinone
Peak:m/z	Relative Intensity
53.03947	0.3
55.05502	0.8
57.03440	0.3
65.03944	1.7
65.19035	0.2
67.05506	1.5
68.99792	0.3
69.03416	0.7
69.07058	1.3
70.06583	0.5
70.12189	0.4
70.12592	0.5
71.04971	0.3
72.08150	2.7
79.05492	2.8
80.63216	0.2
81.03429	0.5
81.07063	2.5
82.04192	0.6
83.04980	0.5
84.08141	0.3
84.35261	0.2
89.10789	0.5
91.05502	1.7
93.03397	1.0
93.07037	1.6
95.04973	1.0
95.08610	1.5
97.02885	0.8
97.06564	1.4
98.09682	1.0
103.05490	0.3
105.03397	0.3
105.04528	0.2
105.07029	1.7
107.04956	1.1
107.08601	1.8
108.65670	0.3
109.02884	0.4
109.06509	0.8
109.10181	1.3
110.03687	2.1
111.04479	1.1
111.08096	0.4
116.24337	0.2
117.07027	0.3
119.04968	0.4
119.08584	1.6
121.06515	0.9
121.10157	1.2
122.06004	0.3
123.04420	0.3
123.08057	0.3
125.05988	2.8
125.09641	0.3
129.07028	0.3
131.04979	0.5
131.08594	0.6
133.02853	1.0
133.10112	1.2
134.09634	0.5
135.08092	0.5
135.11700	0.6
137.02348	0.6
137.05981	1.2
137.09636	0.4
138.03123	14.3
139.03970	0.2
141.07056	0.5
143.08611	0.3
145.06473	0.3
145.10126	0.9
147.04359	0.4
147.08076	0.3
147.11755	1.1
149.05971	0.8
149.09673	0.3
149.13354	0.4
150.03143	0.7
153.05473	100.0
154.05798	0.7
157.10117	0.5
159.08011	0.3
159.11723	0.6
161.09627	0.5
161.13239	0.3
162.03131	0.9
163.03973	0.4
163.11218	0.4
165.05475	1.0
167.03410	0.6
167.10628	0.3
169.06511	0.7
169.10089	0.4
171.11803	0.5
175.11191	0.4
177.05482	5.0
177.12875	0.3
183.08047	0.3
185.06042	0.2
185.13310	0.3
191.10706	0.3
193.04958	2.5
195.11713	0.3
196.05190	0.3
197.06021	0.7
199.14771	0.2
203.14351	0.2
211.13190	0.3
224.04846	0.2
225.05502	0.8
228.04225	0.3
229.04918	0.3
231.02965	0.3
239.06992	0.3
246.05188	0.3
253.05052	0.8
253.19495	0.3
256.19144	0.5
257.07993	0.4
274.04730	1.2
285.07605	2.3
289.07095	2.0
289.10400	0.5
299.20081	0.9
299.23279	0.4
301.03445	1.0
302.04218	4.6
302.07535	0.4
317.06552	6.5
317.10245	7.0
317.17706	0.4
317.21121	1.7
317.24747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1022
Annotation	Mucroquinone
Peak:m/z	Relative Intensity
52.25959	0.1
53.03948	0.4
55.01879	0.2
55.05513	0.3
63.82145	0.1
65.03942	1.4
67.05509	0.6
68.99791	0.2
69.03441	0.2
69.07069	0.4
69.90593	0.3
69.90994	0.2
70.06592	0.2
71.04998	0.1
72.08163	0.9
79.05497	2.5
81.03417	0.4
81.07045	0.8
82.04192	0.7
83.04980	0.3
83.08639	0.1
85.02910	0.1
85.06531	0.1
91.05493	0.5
92.02634	0.1
93.03416	0.6
93.07047	0.6
95.04972	0.7
95.08618	0.6
97.02895	0.3
97.06532	0.5
98.09702	0.2
103.05485	0.2
105.07042	0.6
106.82662	0.1
107.04948	0.8
107.08601	0.8
109.02878	0.2
109.06510	0.3
109.10175	0.8
110.03673	2.1
111.04436	0.3
117.07056	0.1
119.04943	0.2
119.08598	0.5
121.02896	0.1
121.06500	0.2
121.10133	0.4
123.04458	0.1
123.08039	0.2
123.11706	0.1
125.06006	2.5
129.07037	0.1
131.04947	0.3
131.08560	0.3
133.02856	0.2
133.10129	0.5
134.03647	0.1
135.04443	0.2
135.11693	0.4
137.02309	0.2
137.06004	0.2
137.09618	0.3
138.03128	15.8
138.90802	0.1
141.06982	0.3
145.06467	0.1
145.10101	0.2
147.04428	0.1
147.11662	0.2
149.02299	0.1
149.05983	0.5
149.07457	0.2
150.03120	0.6
151.03912	0.2
153.05472	100.0
154.05815	0.9
157.10147	0.2
158.32494	0.1
159.11688	0.2
161.09506	0.1
161.13225	0.2
162.03098	0.8
165.05421	0.6
167.08424	0.1
169.06487	0.3
173.13268	0.2
177.05484	3.8
178.06334	0.2
183.08084	0.1
183.11700	0.1
185.13556	0.1
193.04974	1.5
197.05983	0.6
199.07603	0.1
200.04643	0.1
201.05443	0.1
203.17969	0.1
211.07500	0.4
225.05434	1.0
228.04114	0.1
229.04900	0.1
229.08621	0.2
239.06956	0.3
242.05754	0.4
243.06458	0.1
246.05275	0.2
253.04878	0.7
256.19232	0.1
257.04575	0.1
257.08109	0.6
259.02554	0.1
264.98050	0.1
270.05301	0.3
271.09821	0.1
274.04794	0.7
285.04382	0.2
285.07568	2.3
289.07037	2.4
289.10641	0.5
299.09091	0.2
299.20084	0.2
299.23169	0.2
301.03421	0.6
302.04221	1.6
302.07568	0.2
317.06500	2.5
317.10150	5.3
317.21384	0.5
317.24796	0.5
317.28290	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	317.1022
Annotation	(-)-Mucroquinone
Peak:m/z	Relative Intensity
51.02388	0.2
53.03936	0.7
55.01876	0.4
55.05498	0.6
57.03424	0.2
61.66556	0.2
65.03948	1.6
67.05512	1.4
68.99770	0.2
69.03416	0.5
69.07067	0.8
69.79249	1.0
70.06592	0.4
71.04980	0.4
72.08162	2.1
75.46356	0.2
79.05499	3.4
81.03405	0.6
81.07050	1.9
82.04181	0.5
83.04990	0.3
83.08591	0.3
85.02905	0.3
85.06557	0.3
89.10809	0.4
91.05493	1.2
93.03400	0.7
93.07066	1.9
95.04990	1.0
95.08617	1.2
97.02892	0.6
97.06551	1.1
97.10212	0.2
98.09695	0.9
99.43839	0.2
103.05469	0.7
105.03400	0.2
105.07034	1.6
107.04953	1.1
107.08608	1.8
109.02869	0.3
109.06540	0.6
109.10181	1.2
110.03677	2.4
111.04428	0.6
117.07033	0.5
119.04952	0.3
119.08585	1.3
121.06489	0.5
121.10185	1.0
123.04412	0.2
123.08100	0.3
123.11746	0.2
124.07565	0.2
125.05991	3.3
125.09584	0.3
126.09171	0.2
128.06247	0.2
129.06987	0.3
131.04941	0.4
131.08562	0.6
133.02831	0.7
133.06476	0.3
133.10130	0.8
134.09654	0.5
135.04390	0.3
135.08051	0.7
135.11742	0.5
137.02330	0.4
137.05994	0.6
137.09569	0.3
138.03130	14.7
141.06923	0.3
143.08592	0.3
145.10135	0.7
147.08058	0.2
147.11589	0.9
149.06035	0.9
149.09631	0.4
149.13190	0.2
150.03122	0.6
151.03899	0.4
153.05475	100.0
154.05804	1.0
155.08556	0.2
157.10049	0.4
159.11732	0.7
161.09590	0.4
161.13274	0.4
162.03203	0.9
163.03908	0.4
163.07587	0.3
165.05482	1.2
165.06848	0.3
167.03439	0.5
168.05809	0.3
169.06541	0.3
169.10091	0.3
171.11710	0.4
173.09608	0.3
173.13260	0.2
175.11150	0.4
177.05466	4.6
185.13193	0.3
187.04024	0.3
193.04996	2.0
197.06055	0.7
199.14806	0.3
211.07588	0.4
213.12788	0.2
225.05522	0.8
226.23996	0.2
229.04933	0.3
229.08635	0.4
231.13808	0.3
237.99478	0.2
239.07130	0.3
242.05745	0.4
253.04942	0.7
256.19012	0.3
257.04440	0.3
257.08057	0.7
271.20612	0.3
274.04730	0.8
285.07605	2.2
289.07080	2.5
289.10657	0.5
299.09198	0.4
299.20126	0.8
299.23428	0.4
301.03445	0.6
302.04221	3.6
317.06555	4.9
317.10242	6.4
317.17667	0.3
317.21231	1.9
317.24710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1022
Annotation	Mucroquinone
Peak:m/z	Relative Intensity
50.96642	0.3
53.03961	0.4
55.01868	0.8
59.94821	0.3
65.03950	1.1
67.05511	1.2
68.02704	0.3
69.07046	0.3
71.28912	0.7
72.08147	1.3
74.71047	0.3
77.83752	0.3
79.05505	2.3
80.39439	0.3
81.07076	0.5
82.04211	0.6
83.04993	0.5
89.03905	0.4
91.05511	1.6
91.62293	0.3
93.03370	0.3
93.07038	2.2
95.04971	1.4
95.08631	0.8
97.06590	0.5
98.09711	0.4
103.05473	3.3
105.03385	0.4
105.07048	0.6
107.04960	1.0
107.08604	0.5
109.10168	0.5
110.03654	1.7
111.04463	0.4
115.05458	0.5
117.03373	0.4
119.08608	0.9
121.06518	1.8
121.10127	0.4
123.04462	0.6
125.06000	2.2
131.04936	2.8
133.02872	3.2
135.04430	0.6
135.08061	0.4
137.05968	1.1
138.03131	12.2
141.06972	0.8
147.04456	0.9
147.11722	0.5
149.05992	6.3
150.03165	3.8
151.03922	1.6
153.05476	100.0
154.05829	1.0
159.04410	0.6
165.05486	6.2
165.06882	0.7
168.05717	0.9
169.05145	0.3
169.06462	1.3
177.05473	13.3
177.07056	0.7
178.02632	0.7
184.05161	0.4
186.06720	0.4
191.06973	0.4
193.04970	6.3
193.06638	0.3
196.05212	0.7
197.05933	2.0
207.04381	0.5
211.07529	1.8
213.05435	0.6
214.06152	0.6
215.06845	0.3
221.05945	0.4
224.04645	1.0
225.05435	2.4
228.04256	0.4
229.08586	0.8
237.86777	0.3
239.07028	2.5
242.05768	1.9
243.06454	0.4
253.04996	1.6
253.08632	0.3
255.02879	1.2
257.08099	4.8
267.06546	1.3
270.05313	1.4
271.09631	1.3
275.09195	0.8
281.08020	0.4
285.07599	18.9
286.07999	0.5
289.10703	4.3
299.09354	2.2
299.20218	0.5
301.03494	0.5
302.04211	2.1
317.06540	2.4
317.10144	13.4
317.20627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
51.57643	0.2
55.01864	0.3
60.00763	0.2
65.03907	0.2
66.01055	0.5
67.05472	0.2
68.99771	0.6
70.90402	0.3
81.03442	0.4
91.05475	0.2
92.02594	0.8
93.03383	0.3
95.04966	0.3
95.08549	0.2
103.05482	0.2
105.07007	0.2
107.08589	0.2
108.02084	0.2
110.03667	2.9
121.02853	0.2
126.03148	0.3
134.09627	0.6
136.01500	0.3
137.01350	0.3
137.02350	4.9
137.03386	0.4
150.03227	0.3
153.01839	2.8
153.05453	1.3
165.01714	0.3
166.02623	0.5
169.73772	0.2
172.05270	0.2
177.05431	0.3
187.03902	0.2
193.01323	0.9
200.04680	2.8
200.22366	0.2
203.03383	0.4
204.04181	1.2
205.04797	0.2
215.03391	0.4
217.04927	0.9
218.05743	0.5
221.35814	0.2
228.04175	7.3
229.04967	3.8
231.02997	0.3
245.04463	3.6
246.05132	0.5
256.03702	1.4
257.04474	2.9
273.03992	1.8
274.04739	9.4
285.03943	2.8
301.03448	29.3
302.04218	79.8
303.04755	1.0
303.08215	0.2
317.06567	100.0
318.06894	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01857	0.3
55.05476	1.0
57.03410	0.3
57.07029	0.4
61.14989	0.3
61.92896	0.3
64.91766	0.3
65.03942	0.4
66.01064	0.5
66.93724	0.3
67.01864	0.4
67.05512	2.3
68.16590	0.3
68.99780	0.5
69.03410	0.4
69.07076	1.6
69.38507	2.2
70.06547	1.1
71.04965	0.5
72.08157	3.0
79.05498	2.1
81.03393	0.5
81.07058	3.4
83.04948	0.5
83.08603	0.7
89.10763	0.4
91.05468	1.6
92.02605	0.6
93.07052	2.3
95.04919	0.8
95.08618	2.7
97.02895	1.9
97.06542	1.7
97.10134	0.5
98.03206	0.4
98.09680	0.8
100.51179	0.3
103.05429	0.3
105.07027	2.1
107.04926	0.7
107.08606	2.5
109.02844	0.4
109.06506	0.4
109.10180	2.0
110.03653	2.0
111.08071	0.4
115.05441	0.5
117.06988	0.5
119.08595	1.5
121.02830	0.4
121.04757	0.3
121.06560	0.4
121.10160	1.8
123.08072	0.7
123.11684	0.5
125.09537	0.4
129.06982	0.8
131.04919	0.5
131.08545	1.1
133.10141	1.7
135.07996	0.5
135.11681	0.5
137.01363	0.5
137.02348	7.4
137.03371	0.4
137.09584	0.9
138.03090	0.7
140.07092	0.7
143.08543	0.6
145.10149	0.9
147.11656	1.2
149.13206	0.6
150.03094	0.8
151.03857	0.7
151.11185	0.5
153.00674	0.5
153.01845	4.1
153.05475	5.6
157.10112	0.6
159.08043	0.4
159.11658	0.5
161.09583	0.3
161.13223	0.6
163.11172	0.6
163.14864	0.4
165.01826	0.4
165.12764	0.3
166.02615	0.4
169.10127	0.4
173.05949	0.8
175.11250	0.6
177.05441	0.6
183.11702	0.5
185.13266	0.6
187.14836	0.5
192.04189	0.5
193.01332	1.1
197.13069	0.4
200.04660	2.0
203.10991	0.3
204.04170	1.2
211.03874	0.4
215.03441	0.4
215.66199	0.3
217.04901	1.0
218.05731	0.6
228.04189	6.7
229.04968	4.3
231.02834	0.6
245.04482	2.6
246.05374	0.3
250.99471	0.3
256.03696	1.0
256.19061	0.4
257.04529	3.5
258.05222	0.4
263.17902	0.3
271.06079	0.4
271.20480	0.6
273.03946	2.0
274.04715	8.0
281.18948	0.9
284.02927	0.3
285.03989	2.3
299.09949	0.5
299.20145	1.4
299.23160	0.5
301.03452	24.5
302.04218	66.2
303.04605	0.7
317.06567	100.0
317.21140	2.0
317.24759	0.8
318.06900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.05976	0.2
55.05518	0.5
56.36133	0.3
56.88469	0.2
58.26488	0.2
61.76893	0.2
61.90969	0.3
65.03928	1.1
65.23785	0.3
65.91132	0.3
67.05503	1.6
68.99789	0.5
69.03417	0.7
69.07061	0.6
70.06590	1.0
70.51050	0.6
71.02432	0.3
71.04989	0.3
72.08161	1.8
78.54311	0.3
79.05511	0.7
81.03419	0.6
81.07049	1.1
83.04938	0.4
84.08118	0.3
88.30812	0.2
90.10866	0.2
91.05506	0.6
92.02621	2.8
93.03410	2.6
93.07035	0.9
94.04214	0.5
95.04969	0.6
95.08609	0.8
97.02895	2.7
98.03233	1.4
98.09674	0.5
98.20744	0.4
103.51633	0.3
105.07028	1.0
107.08575	0.5
108.87328	0.3
109.02830	0.5
109.06551	0.4
109.10170	1.6
117.07030	0.4
119.08623	0.7
121.02889	1.7
121.10143	0.6
123.08103	0.4
124.07601	0.3
125.09731	0.5
126.03141	1.0
127.03909	0.3
131.08585	0.4
133.10149	0.5
135.08006	0.3
137.02388	1.4
137.05984	0.4
137.09679	0.3
139.03903	2.0
139.11104	0.3
141.07112	0.3
145.10165	0.7
147.11768	0.4
149.05951	0.3
149.09648	0.4
150.03146	0.6
151.03914	1.4
153.01836	16.9
153.05466	2.8
154.02266	0.3
157.10182	0.5
159.11659	0.4
163.03860	0.4
165.01843	0.8
166.02623	0.4
173.06021	0.4
173.11774	0.4
173.34166	0.3
175.11249	0.3
177.05516	0.7
183.04391	0.3
187.03906	0.4
187.07903	0.4
197.13231	0.4
200.04620	0.7
201.05481	1.3
202.10712	0.5
203.03334	1.5
203.11081	1.0
204.04213	0.5
217.04984	2.5
218.05663	1.6
219.02893	0.7
219.57048	0.3
228.04169	3.7
229.04968	7.5
231.02896	0.9
245.04459	3.8
246.05269	3.0
254.17464	0.9
255.17920	2.6
256.03720	0.7
256.18896	0.4
257.04468	4.7
260.03195	0.5
271.05972	0.5
273.03940	3.5
274.04749	6.9
284.03223	0.6
285.03964	7.8
286.04703	0.4
287.01871	0.4
299.20364	1.6
301.03436	2.6
302.04227	24.4
303.04578	0.4
317.06573	100.0
317.20999	1.5
318.07065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05966	0.4
53.03907	0.4
55.01835	0.6
55.05472	0.8
55.05709	0.4
57.03401	0.4
62.59806	0.3
65.72695	0.4
67.05457	0.6
69.03374	1.1
69.07045	0.5
69.35619	2.6
70.06525	2.0
71.04955	0.8
72.08156	6.9
73.08418	0.5
76.84804	0.3
79.05451	0.5
81.03356	0.8
81.07036	0.8
83.04915	0.8
83.08537	0.5
84.08080	1.6
85.02843	1.3
86.09702	2.7
87.04428	0.5
87.09987	0.8
89.10716	1.1
91.05445	0.9
92.02543	0.5
93.06989	1.0
94.22834	0.3
95.04936	0.5
95.08562	0.7
97.02891	3.4
97.06454	1.4
98.03178	1.1
98.09710	2.2
98.10229	0.5
105.06985	0.8
107.08547	0.5
109.06520	0.5
109.10095	0.7
110.03671	2.4
110.09667	0.4
119.08488	0.8
121.10086	0.3
125.67336	0.4
131.08513	0.4
133.10109	0.6
134.05930	0.5
135.07964	0.4
136.07547	0.5
137.02341	4.6
137.09549	0.8
145.10114	0.7
150.03059	0.7
152.00996	0.4
153.01846	2.5
153.05420	1.2
155.05176	0.4
157.10161	0.5
157.13304	1.5
158.13605	0.5
159.11736	0.5
161.09508	0.4
187.07640	0.5
193.01324	0.9
200.04645	1.4
203.03319	0.6
203.11038	0.9
204.04144	0.6
211.13242	0.5
217.04913	0.9
218.05742	0.5
228.04170	6.7
229.04947	3.5
238.17883	0.4
245.04509	3.0
246.05246	0.5
255.17729	0.9
256.03580	1.2
256.19006	1.5
257.04419	2.6
271.10825	0.6
273.03989	1.6
274.04727	8.1
285.04065	2.2
285.12329	1.0
287.10226	0.6
289.03619	0.3
289.11523	0.4
299.10193	0.4
299.23175	0.5
301.03439	26.2
302.04211	74.3
303.04651	1.4
317.06564	100.0
317.14688	1.9
317.21179	1.6
318.06934	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01854	0.4
55.05497	0.4
55.12795	0.3
59.98531	0.3
66.01067	0.4
67.05495	0.7
68.99780	0.6
69.03417	0.4
69.07059	0.3
70.06580	0.6
71.01340	0.3
71.04955	0.9
71.55617	0.3
72.08148	3.4
78.01066	0.4
79.05479	0.6
81.03408	0.7
81.07047	0.6
83.04975	0.6
84.08141	1.6
85.02872	1.0
86.09706	2.9
87.10031	0.6
89.04882	0.3
89.10777	0.6
91.05496	0.5
92.02601	0.6
93.03379	0.5
93.07018	0.7
94.26899	0.3
95.04897	0.4
95.08562	0.3
97.02866	1.0
97.06506	0.6
98.09682	0.7
99.27540	0.3
105.07015	0.5
107.08595	0.5
109.02876	0.3
109.10137	0.4
110.03658	2.7
117.06959	0.3
121.02868	0.3
127.03864	0.3
136.01514	0.4
136.07587	0.6
137.02353	4.5
147.11691	0.4
150.03133	0.6
153.01834	3.0
153.05556	0.5
154.04976	0.5
155.05380	0.5
157.13326	0.9
164.07074	0.6
165.01791	0.5
166.02650	0.4
177.05544	0.4
185.12987	0.4
186.13214	0.3
192.04126	0.3
193.01300	1.2
200.04759	1.9
203.03427	0.6
204.04207	0.9
211.13292	0.5
215.03473	0.3
217.04990	0.8
218.05798	0.4
219.37576	0.3
228.04175	6.4
229.04974	2.9
245.04468	2.8
246.05283	1.0
256.03757	1.4
256.18988	0.3
257.04443	2.7
265.67740	0.3
271.10300	0.5
273.03854	2.6
274.04736	8.0
274.07529	0.6
285.03931	3.4
285.12582	0.6
299.10214	0.7
299.13525	0.3
299.20114	0.4
299.23300	0.9
301.03436	26.8
302.04214	71.9
303.04584	1.1
317.06567	100.0
318.06967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2271
Annotation	Bremazocine
Peak:m/z	Relative Intensity
53.03935	0.4
54.88940	0.3
55.05515	1.7
57.07073	0.4
58.02514	0.3
65.01610	0.3
65.09624	0.3
67.05514	1.8
68.05024	2.0
69.07073	2.5
70.06594	9.5
70.42962	0.3
70.80727	0.5
70.81044	0.3
71.04965	0.3
80.05016	0.4
81.07054	3.8
83.08601	0.6
91.05480	2.9
93.07056	2.4
94.06529	0.3
95.08608	5.2
96.08133	1.2
98.06052	0.4
98.24772	0.3
100.07628	4.6
105.07034	17.9
106.07300	0.3
107.08582	2.7
108.08158	2.0
109.10164	1.4
114.05540	2.3
114.09168	0.4
116.07050	0.5
117.07004	1.4
119.08583	12.4
120.08070	0.4
121.10125	2.0
122.09680	2.1
123.10435	0.3
123.11676	0.5
128.07088	5.5
129.07074	0.3
131.08568	3.4
133.10138	7.3
133.65590	0.3
135.11673	0.4
137.13283	0.7
140.10707	0.4
142.08638	4.5
143.08551	0.5
145.09038	0.5
145.10127	7.8
146.10881	0.4
147.11682	4.9
148.11197	1.2
151.06300	0.6
153.05470	0.4
154.08618	3.3
157.10127	0.7
159.11699	4.1
160.11183	0.5
160.12463	0.9
161.13283	0.9
164.07097	0.4
166.36993	0.3
168.10210	16.7
168.69553	0.3
171.11708	0.6
172.11124	0.3
173.13271	1.8
174.12775	0.3
175.14844	9.9
178.08658	3.5
180.10251	0.9
182.11815	0.6
186.12646	0.3
186.14137	0.5
187.14851	0.7
188.14331	0.4
192.10210	0.9
193.10873	0.7
194.11830	2.6
200.14346	0.3
201.16383	6.2
201.85533	0.3
202.15894	1.9
203.17966	1.4
214.15909	0.5
220.13284	0.3
232.13295	1.2
233.14059	0.5
234.14893	0.8
244.61662	0.3
246.14914	1.1
247.15663	1.9
253.55522	0.3
256.20584	1.1
260.16498	2.5
261.17221	0.4
270.22095	0.5
286.18024	8.0
301.20337	3.8
302.04395	0.4
316.22717	100.0
317.06583	0.4
317.23135	1.6
317.77170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.94483	0.4
53.03945	0.7
55.01878	0.6
55.05513	5.0
56.05030	3.7
57.07079	1.4
60.04528	100.0
65.33151	0.4
66.61751	0.4
67.05505	7.6
68.05036	0.6
69.07071	5.6
70.06602	0.7
71.05006	0.5
71.08608	0.7
71.47398	0.5
71.47753	0.6
72.04532	1.7
74.06093	1.7
79.05505	4.3
80.05043	1.0
81.07059	7.6
82.06585	1.2
82.75688	0.4
83.08624	3.4
86.06070	0.6
87.04484	0.6
90.05563	1.4
91.05496	3.0
93.07034	3.0
94.06592	0.7
95.04984	1.1
95.08614	7.3
96.08138	0.7
97.02372	0.5
97.06575	0.8
97.10186	1.6
98.06075	0.7
100.07697	0.5
105.07026	1.2
107.08607	1.9
107.81766	0.5
109.10178	3.4
111.08137	0.5
111.11747	1.0
116.07129	0.5
119.08596	1.3
121.10161	2.3
123.08135	0.8
123.11684	0.9
133.10147	1.4
135.11739	0.9
137.09605	0.5
137.13266	0.6
149.13190	0.5
159.22763	0.4
172.73744	0.5
250.25322	0.8
262.25333	1.2
268.26511	0.8
269.97083	0.4
280.26343	11.4
298.27408	12.8
316.28488	34.5
317.21118	0.8
317.28870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85280	0.3
54.92225	0.3
55.01862	0.4
55.04245	0.5
55.05516	0.7
63.21331	0.3
67.05498	1.0
67.38039	0.4
68.05025	2.4
69.03426	0.4
69.05815	3.7
69.07069	0.5
70.06596	18.0
70.26461	0.7
70.26855	0.9
71.04984	1.6
72.08145	0.9
76.89982	0.3
78.23059	0.4
80.05008	0.7
81.03397	0.6
81.07036	1.0
82.06572	1.6
83.07362	4.7
84.08150	2.9
85.02891	1.0
88.44983	0.3
88.99822	0.3
91.05510	0.6
93.07031	0.7
95.04955	0.6
95.08632	0.9
95.77024	0.4
96.08115	0.9
96.26612	0.3
97.02901	7.9
97.70710	0.3
98.02430	0.5
98.06038	0.4
105.07010	0.6
111.06783	0.3
119.08605	0.4
124.07601	0.7
126.09164	1.7
142.08621	0.6
154.04980	0.4
165.12770	0.3
173.04567	0.4
184.09726	0.4
186.07597	1.3
202.10786	3.4
208.16960	0.7
226.18053	3.6
236.16460	5.7
238.18011	1.7
252.19662	0.4
254.17522	100.0
255.17865	1.7
256.19064	4.8
257.04440	0.5
280.19000	0.6
298.20139	42.0
299.20514	0.5
301.06641	1.2
302.04041	0.6
303.05139	0.4
316.08954	2.2
316.13702	0.7
316.21182	15.1
317.06659	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2232
Annotation	Leu Ala Ile
Peak:m/z	Relative Intensity
55.05502	0.5
56.05034	0.8
58.06584	0.4
67.05527	0.5
68.05016	0.4
69.03407	0.6
69.07078	7.7
69.73206	0.4
70.06590	4.5
71.55532	0.6
72.08147	2.1
81.03398	0.9
81.07043	0.8
84.04521	1.7
84.08147	1.1
85.02909	0.5
86.09711	100.0
86.72352	0.4
87.10035	0.9
91.05481	0.7
93.07041	0.9
96.08128	0.7
97.02895	4.3
97.06512	0.7
98.09705	2.5
102.15389	0.4
105.07090	0.4
106.05093	0.4
107.08651	0.5
109.01694	0.4
109.02874	0.9
119.08530	0.5
130.06535	1.1
132.10216	9.0
133.10175	0.6
144.06561	0.7
153.01865	0.6
153.05597	0.6
154.05009	1.4
157.07599	0.6
157.13370	30.0
161.09251	0.9
167.45236	0.5
171.94127	0.4
184.09746	0.6
185.12868	21.2
186.07697	0.4
192.04883	0.4
192.06599	0.7
202.10803	1.5
203.13933	10.5
207.08940	1.0
254.17526	2.1
270.13263	0.6
271.10898	0.5
298.12115	0.5
298.20108	1.4
301.06763	0.5
302.04315	1.1
316.05804	0.9
316.09283	1.6
316.13535	1.7
316.21515	1.2
317.06635	2.2
317.11356	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2233
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
53.03944	0.5
55.01873	0.9
55.05515	3.0
56.05027	0.8
57.03435	0.9
58.06598	0.4
60.04535	2.3
61.02921	1.0
65.03971	0.5
67.05502	1.4
68.05018	0.6
69.03433	3.3
69.07068	5.8
69.56938	1.4
69.57365	1.2
70.06599	9.9
71.04968	0.4
72.08158	34.4
73.08490	0.7
77.40950	0.4
79.05498	1.2
80.05006	0.4
81.03434	2.5
81.07054	2.2
82.06581	1.7
84.04515	2.7
84.08141	2.1
85.02911	5.2
86.09708	100.0
86.62243	0.3
87.04479	2.4
87.05590	1.1
87.10034	1.0
88.04021	0.8
89.10809	0.9
91.05480	2.9
93.05777	1.1
93.07044	1.2
94.06578	1.2
95.04975	1.3
95.08622	0.6
96.04501	0.5
96.08134	0.5
97.02894	9.0
97.06541	0.5
98.09695	1.6
99.04469	0.6
101.06044	0.4
107.04967	1.3
107.08619	0.9
107.57870	0.5
108.08122	13.1
109.02876	3.9
109.06552	0.9
109.10164	1.7
110.06049	0.9
116.07101	13.7
118.06561	0.7
120.08160	0.6
122.06059	0.8
123.06846	0.9
124.07600	11.4
126.09184	0.5
127.03935	0.8
128.10718	0.9
129.10243	1.0
130.05017	0.7
130.06526	1.2
134.06094	0.4
134.09656	0.4
136.07585	6.8
136.08560	0.6
137.05963	1.4
138.09148	0.7
142.08635	1.0
150.09088	0.5
151.07489	0.5
152.10672	0.5
154.08636	49.5
155.08911	0.6
162.05521	1.1
165.05376	0.4
165.06738	0.4
166.08685	1.3
170.06322	1.8
170.11768	0.9
171.14948	10.2
173.12869	5.5
177.09206	0.4
183.08055	0.4
186.07651	0.8
188.07138	0.7
188.12910	2.3
190.04893	0.5
199.14426	5.3
199.18068	24.4
200.18352	0.4
201.12378	1.3
202.10750	3.4
203.13928	8.5
207.07985	0.5
217.15462	0.8
227.17552	10.3
227.19762	0.6
234.34448	0.4
253.08705	1.2
256.19141	0.4
270.07907	0.6
270.11145	0.7
287.10239	1.0
298.16470	1.0
299.10037	1.3
299.23288	0.5
316.05557	0.6
316.14014	2.0
316.17743	1.6
317.06516	0.9
317.11420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1754
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
50.83837	0.8
51.65169	0.8
53.03933	0.8
55.01874	1.5
55.05525	4.9
57.03444	1.4
60.04530	94.3
65.93331	0.7
67.05508	12.0
69.03426	1.6
69.07071	5.3
70.02972	3.6
70.06594	3.5
71.05000	1.3
71.15018	1.7
73.46119	0.8
79.05493	7.1
81.03404	0.9
81.07059	39.1
83.04979	2.7
83.08620	2.6
84.04543	1.2
85.06548	2.3
86.42467	0.7
88.03996	45.2
91.05489	11.3
93.07052	8.3
95.04962	1.2
95.08620	6.6
96.04514	1.5
97.02897	11.6
97.06532	2.4
99.08099	1.2
105.07032	18.3
106.05036	100.0
106.28243	0.7
107.08602	5.3
109.06532	2.2
109.10140	1.5
119.08582	15.3
121.10149	11.0
123.08076	2.3
123.11700	12.3
124.07624	1.9
127.07561	1.2
133.10139	2.9
137.09677	0.8
137.13194	1.2
142.05023	1.2
142.08633	1.1
143.11794	0.8
145.10080	1.0
147.11694	35.5
153.05539	1.1
157.10133	1.2
165.12749	15.1
175.11205	1.1
183.13864	2.7
186.07642	1.6
193.12221	1.3
202.10735	4.6
206.15376	4.5
210.80855	0.7
218.11754	0.8
224.16490	2.3
229.14377	3.0
234.14900	14.7
252.15959	34.2
270.16992	8.2
280.15482	11.1
297.72849	0.7
298.16501	37.5
298.19928	1.8
301.06610	3.5
316.09036	12.4
316.13843	1.0
316.17386	8.7
317.06625	1.7
317.11267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.05513	4.3
57.01336	0.9
60.04530	6.4
67.05508	3.0
68.05031	0.9
69.03423	3.8
69.07069	2.6
69.28549	7.6
70.02956	0.8
70.06597	10.8
72.08154	5.2
73.02899	1.4
77.77731	0.8
79.05460	4.4
81.03426	8.0
81.07076	5.7
82.06609	1.7
83.04993	3.7
83.08634	3.1
84.04516	3.2
84.08179	1.9
85.02914	1.4
85.06581	0.9
86.06084	0.9
86.09720	4.7
88.03996	3.4
90.05554	2.0
91.05486	4.0
93.07052	2.8
95.04998	3.4
95.08619	1.7
96.04519	1.6
96.08138	1.1
97.02896	51.5
97.06536	1.6
98.02438	2.3
98.06055	1.2
105.07049	2.7
106.05039	9.0
107.08598	1.9
108.08103	1.1
109.02887	2.8
109.06534	2.5
110.06081	1.6
111.08076	2.1
115.03994	1.2
116.03473	2.9
119.08589	2.1
121.10171	2.2
123.04462	0.9
124.07603	3.8
126.05514	1.6
126.09156	1.7
129.06993	1.1
129.86385	1.0
130.08664	1.1
131.08585	1.1
133.10141	1.5
134.89256	1.0
136.07651	1.1
139.06261	1.3
142.08675	3.1
146.05916	1.1
149.09630	2.6
150.09195	2.7
154.05124	4.3
154.08640	100.0
165.05563	1.0
180.13843	2.2
184.09721	2.7
186.07710	6.4
186.09181	1.4
193.12273	8.1
195.10213	1.3
200.09059	1.1
202.10774	24.9
207.07985	1.0
208.13249	4.6
211.13297	12.6
226.14400	5.7
244.15611	1.5
252.15550	0.9
254.13869	3.9
267.14044	1.0
270.11459	1.5
272.14932	6.4
298.12854	2.9
298.16376	1.6
299.09875	1.0
316.13962	3.4
316.17548	3.9
316.21036	1.7
317.11279	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63153	0.4
55.01878	2.1
55.05515	2.6
57.03430	0.7
60.78667	0.5
64.84559	0.4
67.05535	2.6
67.05824	0.4
68.99796	0.6
69.03432	0.6
69.07078	1.8
69.77532	1.9
70.06597	5.9
71.04990	1.3
71.06920	0.5
72.08161	100.0
73.02919	0.5
73.06570	0.5
73.08494	0.5
79.05511	2.5
80.22850	0.5
81.03427	2.0
81.07063	3.1
82.06630	0.7
83.04996	1.6
83.08655	0.9
84.08158	0.8
85.02920	1.7
85.06573	0.9
86.09717	5.4
89.10802	32.1
91.05487	1.7
93.07064	3.2
94.06544	0.6
95.04978	1.3
95.08620	2.6
96.04490	0.6
96.08133	3.4
97.02905	2.3
97.06551	1.7
97.08488	1.9
98.06070	1.4
98.20728	0.5
99.04462	0.6
102.59277	0.5
103.05480	0.6
105.07051	1.7
107.04979	3.4
107.08627	2.1
108.08167	0.5
109.02901	1.3
109.06541	0.5
110.06059	0.6
111.00832	0.7
111.04471	2.0
111.08083	0.9
117.07034	1.0
119.04975	0.6
119.08619	1.9
120.08091	0.6
121.02840	0.4
121.06557	0.9
121.10170	2.0
123.04438	0.6
124.07657	0.7
125.02364	0.5
127.03903	0.6
128.07066	0.6
129.07045	0.7
131.04984	0.6
131.08580	0.8
135.04413	0.4
135.11711	3.6
136.07619	0.5
137.05989	0.8
138.09129	0.6
140.07120	1.4
145.10129	3.5
147.04440	1.2
148.07597	0.9
149.05986	0.5
149.09625	1.0
153.12788	0.7
154.05014	1.1
155.08600	0.7
157.13345	3.0
162.05466	1.0
163.11209	5.0
165.07004	0.6
166.08653	0.7
167.08585	0.5
168.06615	0.5
173.09656	1.7
174.05615	0.5
175.03972	1.8
177.06958	0.6
181.06575	0.5
181.12300	1.6
182.09663	0.6
185.12935	1.2
191.10724	1.4
194.07277	0.6
195.02888	4.8
195.08040	0.8
198.09377	0.5
199.08766	2.2
202.10831	0.6
203.03374	4.6
208.13423	1.6
209.11836	0.6
212.09467	0.5
213.05542	0.5
222.06888	0.5
223.07616	0.6
225.10388	1.2
226.08598	0.4
226.14386	2.3
227.08293	1.1
227.12828	11.2
238.08603	0.8
238.14374	0.6
240.04315	0.5
240.07823	0.5
252.10405	0.6
254.17664	0.5
255.11343	4.6
255.17946	0.6
262.18130	0.7
265.08884	1.2
269.08804	0.5
269.12964	2.0
276.78967	0.5
279.20715	3.1
280.19031	4.7
283.09793	1.3
297.12292	2.2
297.21747	12.1
298.20090	0.8
299.54834	0.5
300.06363	1.0
315.05130	9.4
315.08911	5.6
315.13507	23.4
315.19250	3.5
315.22772	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	315.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.01867	3.2
55.05512	17.9
57.07070	3.8
65.03936	4.0
66.23652	1.4
67.05170	2.7
67.05508	35.1
69.03418	4.3
69.07076	17.5
70.00599	3.0
70.00960	6.2
71.05001	2.5
72.08150	2.7
77.03946	1.8
77.73094	1.3
79.05498	60.4
81.03407	3.1
81.07058	46.7
83.04964	5.2
83.08626	8.6
84.89040	1.5
85.06532	2.3
86.09642	1.7
91.05482	44.0
93.07051	82.5
93.97054	1.7
95.04990	9.4
95.08611	75.7
96.68912	1.5
97.02882	4.6
97.06546	6.0
97.10184	3.0
105.07034	76.0
107.04971	7.5
107.08597	100.0
107.78270	1.4
108.02116	2.5
109.06506	7.1
109.10159	41.3
111.04436	19.6
111.08063	2.6
115.05408	2.1
117.07030	9.8
119.04890	2.7
119.08584	52.0
121.06512	9.2
121.10146	74.4
122.05985	1.7
123.08078	6.9
123.11719	8.3
125.05982	6.7
128.06233	4.9
129.07007	10.7
131.08568	20.2
133.06503	3.3
133.10132	36.7
135.04419	1.7
135.08043	4.2
135.11696	33.9
137.06003	5.9
137.09605	2.9
137.13234	2.7
139.07579	5.4
141.07018	3.3
142.07751	6.2
143.08563	18.8
145.06543	1.9
145.10118	27.0
147.08069	5.5
147.11687	29.5
148.12390	2.5
149.09615	6.5
149.13269	15.8
151.07480	3.6
153.05470	3.4
153.06938	2.3
153.09084	3.2
155.08569	10.8
156.09337	3.9
157.10136	15.3
159.08025	5.9
159.11722	16.8
161.09595	8.8
161.13260	9.0
163.11200	3.0
163.14818	4.7
165.09082	3.8
167.08578	2.3
167.10649	2.6
169.10146	7.2
170.10986	2.5
171.08073	2.4
171.11671	18.7
173.09612	6.2
173.13245	9.4
173.17497	1.7
175.11200	3.8
175.14812	5.4
177.09099	4.1
177.16376	7.6
179.10696	6.3
181.10172	3.1
181.12248	2.8
183.11674	5.5
185.09601	3.9
185.13248	13.8
187.11189	8.6
187.14850	12.2
189.09079	3.1
189.12720	1.9
189.16370	12.4
191.10704	9.0
193.12257	4.6
195.11743	3.4
197.13326	2.1
199.11172	7.6
199.14908	4.0
201.12698	6.2
201.16386	2.3
203.10640	4.6
205.12256	5.9
207.13831	5.8
209.13255	2.7
211.14832	2.3
213.12860	7.5
213.16324	3.7
217.12216	10.8
219.13832	6.6
223.07516	2.7
225.16409	6.3
226.06198	4.4
227.14279	4.5
227.17928	9.0
231.13806	10.7
241.19550	14.5
243.21063	2.3
245.15395	4.2
251.17969	5.4
254.05692	10.5
255.11180	1.7
269.18988	17.2
282.05273	6.0
283.06082	2.1
283.09686	1.7
287.20065	41.4
297.18515	3.1
300.06335	4.8
315.05017	5.0
315.08630	41.1
315.13068	7.0
315.19553	8.5
315.23190	4.6
315.26642	3.7
333.20602	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	315.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.05513	16.3
65.03935	4.2
67.05507	40.5
69.03448	2.7
69.07074	16.3
70.56374	6.8
71.04992	2.7
72.08112	2.9
74.11438	2.1
79.05495	65.0
81.03387	2.0
81.07056	54.9
83.04968	3.9
83.08611	8.6
91.05479	40.8
93.07047	78.1
95.04975	9.4
95.08610	71.0
97.02881	4.3
97.06545	2.4
97.10178	3.7
105.07033	70.6
107.04945	5.6
107.08596	100.0
109.06490	6.6
109.10160	41.4
111.04414	16.5
115.00434	2.2
117.07008	10.4
119.05077	2.6
119.08580	48.0
121.06500	4.7
121.10149	77.4
121.11033	4.2
123.08031	4.0
123.11707	10.8
125.05984	8.4
128.06201	2.7
129.06999	10.0
131.08545	21.2
133.06421	3.9
133.10133	31.1
135.11707	33.3
137.05965	6.2
139.07510	3.5
141.07057	3.2
142.07750	3.8
143.08592	15.7
145.10120	25.9
147.08049	3.5
147.11699	23.1
149.05960	2.4
149.09619	3.9
149.13264	13.2
151.07570	4.7
153.05432	4.0
153.28662	2.4
155.08517	9.3
156.09250	4.8
157.10123	17.8
159.08060	5.7
159.11688	19.2
161.09631	3.9
161.13284	10.9
163.07462	2.2
163.14877	4.1
167.10594	4.3
169.10077	4.7
171.08014	2.5
171.11707	15.7
173.09581	6.6
173.13313	9.1
175.11169	2.9
175.14809	3.0
177.09135	3.3
179.10672	8.7
180.66757	2.2
181.36345	2.3
183.11739	3.3
185.09641	5.1
185.13271	9.4
187.11223	5.4
187.14856	10.0
189.12727	3.1
189.16414	12.2
191.10652	8.4
195.11615	4.1
199.11224	12.7
199.14780	6.2
201.12712	5.4
203.10635	4.2
205.12273	9.5
207.13847	4.4
209.13234	3.7
213.12756	6.9
217.12216	8.7
219.13826	9.3
225.16476	6.2
227.14359	2.4
227.17941	9.7
231.13765	11.6
241.19492	11.0
245.15323	4.9
251.18050	3.8
269.18973	14.2
278.01297	2.3
287.20096	31.7
292.12805	2.1
297.07684	4.1
315.08737	15.8
315.12103	3.9
315.19498	6.4
315.23178	2.9
333.20670	2.9
334.49899	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	315.0863
Annotation	Onogenin
Peak:m/z	Relative Intensity
52.05273	0.3
53.00306	1.0
53.03942	0.4
54.31344	0.3
55.01866	1.8
65.03941	2.9
67.05509	2.7
68.99793	1.7
69.03426	1.0
69.07064	0.5
70.03548	1.3
76.70067	0.3
79.05507	0.7
81.03419	0.4
81.07057	1.1
82.04224	0.4
83.04955	0.5
85.02908	2.1
89.03928	0.3
91.05482	0.7
93.03412	5.2
93.07027	0.8
95.04967	1.0
95.08607	0.6
97.06563	2.4
105.07028	0.8
107.04936	0.3
107.08617	0.8
109.02866	0.3
109.10191	0.7
110.03645	1.4
111.04434	1.2
119.04943	0.4
119.08585	0.6
121.02872	4.1
121.10160	0.8
122.93744	0.3
123.04417	2.5
125.05995	5.8
129.07030	0.4
131.08594	0.3
133.02882	1.4
133.10089	0.6
137.02269	0.3
137.05957	0.4
138.03131	4.5
145.10080	0.5
149.05905	0.4
151.03912	100.0
152.04253	0.7
153.05472	73.2
154.05788	0.4
159.11757	0.3
161.13319	0.3
163.03908	1.0
169.06596	0.3
175.03912	9.3
177.05496	3.9
178.06256	3.3
191.03426	1.3
193.04965	1.1
197.06010	0.8
225.05556	0.6
250.53459	0.3
253.04977	0.5
255.06557	0.6
283.06061	1.6
285.07611	0.4
297.22525	0.3
299.01770	0.3
300.06409	0.4
301.83783	0.3
315.08575	5.0
315.19531	0.5
315.23138	0.6
315.27011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	Gnaphaliin
Peak:m/z	Relative Intensity
50.90031	0.3
55.01855	0.6
55.05489	1.0
57.03416	0.3
60.45440	0.3
67.05507	1.7
68.99764	0.4
69.03408	0.9
69.07054	1.0
70.06568	0.5
71.04994	0.3
72.08134	1.4
79.05463	1.2
81.03387	0.9
81.07062	2.6
83.08620	0.4
84.08086	0.4
85.02868	0.4
91.05470	1.2
92.44498	0.3
93.07030	1.5
95.01277	0.4
95.04951	0.5
95.08577	1.5
97.02864	0.7
97.06514	0.7
97.10147	0.3
99.04430	0.5
103.05441	0.5
105.07047	1.7
107.04942	0.6
107.08606	2.0
109.02846	0.8
109.10141	0.9
111.04440	0.5
118.04132	0.4
119.08593	1.8
121.06500	0.7
121.10108	1.3
123.00833	1.7
123.04396	0.5
128.06238	1.8
129.07001	0.4
131.04909	0.6
131.08548	0.7
133.02850	0.5
133.10135	0.9
134.03616	1.3
135.04385	0.6
135.08051	0.7
135.11691	0.7
137.02336	1.2
137.05988	1.3
138.03125	0.7
139.05438	0.7
143.08557	0.6
145.02841	1.2
145.06461	0.5
145.10135	1.4
147.08005	0.6
147.11668	1.0
148.05209	1.9
149.05986	0.9
149.09636	0.5
151.00250	1.6
151.03941	0.6
152.01016	1.5
152.06174	1.0
153.01823	3.3
153.05458	1.4
153.06886	0.4
155.04872	0.7
156.05673	1.2
157.10175	0.6
159.04298	0.4
159.08064	0.5
159.11668	1.1
161.04787	0.4
161.05960	1.9
161.09691	0.6
162.05502	1.9
163.03944	0.4
163.11267	0.4
165.07033	0.6
165.12782	0.3
166.02641	1.4
167.03386	2.4
167.04782	0.7
168.05579	0.3
169.01337	1.0
169.06491	0.6
170.02153	0.7
171.11729	0.6
173.05984	0.8
173.13319	0.5
174.29820	0.3
175.03952	0.4
177.06926	0.3
180.05684	0.5
181.06497	0.8
183.04422	1.3
184.03743	0.6
184.05167	2.8
185.13306	0.4
187.14798	0.3
194.07298	0.4
195.04388	0.7
195.08028	0.8
197.05971	0.9
197.13319	0.4
198.06712	0.6
201.05438	1.4
201.16333	0.5
205.06508	0.4
208.05203	1.6
211.03914	1.1
211.14723	0.4
212.04688	5.2
213.05412	1.1
222.06792	0.5
223.07516	1.1
224.08423	0.5
225.05412	0.8
226.06288	0.9
227.07063	0.9
229.04958	3.6
236.04689	0.6
237.05605	0.5
237.09027	0.8
239.03442	1.1
240.04202	8.3
240.07875	0.4
241.04948	0.5
243.06607	1.8
244.07304	2.0
251.03256	0.5
251.07224	0.5
253.05174	0.4
254.05763	0.7
255.06566	4.1
255.10344	1.0
257.04431	3.6
259.09653	1.1
265.08484	0.6
267.02957	2.1
268.03677	6.3
269.08133	1.1
271.05975	1.4
271.08972	0.3
272.06812	2.1
282.05353	0.7
283.06036	2.2
283.09653	3.5
284.03146	0.5
285.03989	3.7
287.09134	0.5
297.04242	0.4
297.07712	1.3
297.11713	0.5
297.18500	0.8
297.21951	0.7
299.05557	1.6
300.06293	52.2
301.06842	0.6
315.08630	100.0
315.18994	1.7
315.23245	2.1
316.08871	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1963
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
55.05506	1.0
67.05485	1.3
68.05024	1.4
69.05816	2.0
69.07059	1.1
69.99693	0.5
70.00040	1.9
70.06597	42.1
71.04994	4.9
79.05494	1.3
81.07062	1.9
82.06586	0.7
83.04988	0.7
83.07372	2.5
83.08617	0.5
84.04509	1.4
84.08160	2.1
91.05467	0.9
93.07033	1.6
94.06538	0.5
95.04945	0.6
95.08589	1.1
96.08139	1.4
97.08914	0.5
97.10208	0.4
98.06025	1.1
98.09690	0.6
99.04454	0.6
105.07050	0.5
107.04913	0.7
107.08608	0.7
111.04482	2.2
119.08569	0.8
121.10162	1.4
124.07588	0.6
126.09176	0.8
128.07169	0.4
131.08578	0.6
135.11707	1.0
142.08629	2.1
145.10088	0.7
152.04269	0.5
152.07027	0.4
158.08118	0.6
163.11195	0.9
180.89015	0.4
181.12260	1.1
184.16408	0.4
188.03725	0.9
208.17018	0.7
226.18028	2.5
227.12845	0.5
235.64720	0.4
236.16479	3.1
240.19569	2.3
254.17523	50.0
255.17834	0.5
256.19083	1.6
282.20731	0.5
296.18591	7.8
300.06180	0.6
314.19626	100.0
315.08664	3.0
315.13318	0.6
315.19986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0859
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03946	0.5
53.23664	0.2
55.01863	0.6
55.05520	1.1
56.44286	0.2
56.96551	0.4
57.03419	0.4
57.07080	0.3
65.03929	0.7
67.05505	1.5
68.99792	1.3
69.03424	0.7
69.07065	1.0
70.06592	1.3
71.04993	0.6
71.06900	0.3
71.55122	0.2
71.55517	0.2
72.08165	1.5
79.05499	1.3
81.03411	0.9
81.07058	2.1
83.04985	0.7
83.08600	0.5
84.08165	0.3
85.02911	0.4
85.06544	0.4
86.09722	0.3
86.80457	0.2
91.05479	1.5
93.07057	1.1
95.05000	1.1
95.08595	1.7
96.02097	0.8
97.02892	1.1
97.06546	0.6
98.97552	0.6
100.07609	0.5
101.19067	0.2
105.03369	0.3
105.07022	1.7
107.04945	0.6
107.08588	1.0
109.02871	1.0
109.06509	0.5
109.10168	1.0
111.04427	2.6
111.08077	0.4
115.05482	0.3
116.98619	0.3
117.06988	0.3
119.04942	3.6
119.08597	1.4
121.02870	0.2
121.06508	3.3
121.10151	0.9
123.04469	0.7
123.08032	0.3
123.11702	0.6
124.01563	0.4
124.07615	0.5
125.05999	0.3
127.03928	0.3
128.06195	0.5
131.04932	0.7
131.08574	1.0
133.02856	1.1
133.06549	0.5
133.10127	0.7
134.03633	1.0
135.04410	0.9
135.08109	0.5
135.11690	0.6
137.05956	1.6
137.09650	0.3
139.03897	3.2
141.06940	0.3
142.07745	0.2
143.08559	0.4
145.06490	0.2
145.07611	0.3
145.10136	1.3
147.04454	0.3
147.08006	0.4
147.11690	0.5
148.05194	4.9
149.05988	1.8
149.09622	0.5
151.03946	1.1
151.07483	0.3
152.01045	2.7
152.06258	0.3
153.05470	1.1
153.06747	0.3
157.10152	0.5
159.04442	0.3
159.08023	0.3
159.11711	0.8
161.06003	1.2
161.09593	0.3
161.13269	0.3
162.05606	0.2
163.03918	2.2
163.11165	0.4
165.05553	0.3
165.06967	0.6
167.03401	12.5
167.08482	0.3
169.01402	0.2
169.06464	0.3
171.08023	0.5
171.11707	0.4
172.03870	0.4
173.06006	0.6
173.09621	0.4
173.13242	0.6
175.03915	9.0
175.14752	0.3
177.05447	0.5
177.07021	0.3
179.03337	0.5
181.06476	0.4
183.04395	0.3
183.11856	0.3
184.03680	0.6
184.05215	0.6
185.04413	0.3
185.05978	0.3
185.13283	0.2
187.14813	0.3
190.05019	0.9
191.06836	0.3
193.06522	0.3
194.07347	0.4
194.11111	0.2
195.08060	0.9
195.11565	0.2
197.06021	0.5
198.06758	0.7
199.07407	1.1
201.05492	0.9
201.12703	0.3
201.16458	0.3
202.06273	0.2
203.07082	0.3
206.17212	0.2
208.05211	1.2
209.05933	0.3
211.03911	0.4
211.07536	0.3
212.04617	1.4
213.05481	0.9
216.07845	0.9
217.04959	0.4
217.08568	0.2
223.07527	1.1
225.05588	0.3
226.06236	1.1
227.06966	2.9
229.05022	1.6
230.05676	0.8
231.06534	0.4
236.04811	0.3
239.03384	0.3
239.07085	0.6
240.04187	4.0
240.07770	0.4
241.05011	0.3
241.08473	0.3
243.06511	2.3
244.07388	1.5
251.07103	0.5
254.05740	1.8
255.06502	7.4
255.10681	0.8
256.07330	0.3
257.04462	2.0
259.09668	4.6
265.08661	0.5
268.03653	0.7
269.08029	1.3
269.12848	0.3
271.06082	0.5
271.09711	0.4
272.06744	3.4
279.17667	0.3
282.05212	2.3
283.06027	1.6
283.09659	2.7
283.12302	0.3
284.10416	0.4
285.04047	0.5
287.06033	0.4
287.09076	2.1
297.07654	2.0
297.11118	0.4
297.18390	0.3
297.21756	0.3
299.05481	0.6
300.06284	9.7
301.06662	0.3
315.08615	100.0
315.20303	2.7
315.23401	0.9
316.08923	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03978	0.2
55.01901	0.5
55.05550	0.7
56.70396	0.2
57.03473	0.2
57.07133	0.2
63.34193	0.3
65.03997	0.4
67.05553	1.1
68.99849	1.0
69.03456	0.5
69.07074	1.2
69.39137	2.0
70.06609	1.2
71.05021	0.3
71.06989	0.4
72.08202	0.5
79.05143	0.3
79.05554	1.1
81.03457	0.6
81.07067	1.4
81.54807	0.2
83.05012	0.5
83.08675	0.3
83.25897	0.2
85.02956	0.5
85.06589	0.3
86.09724	0.4
89.03983	0.3
91.05469	1.4
93.06582	0.3
93.07036	1.1
95.01368	0.3
95.05040	1.1
95.08607	1.1
97.02954	1.0
97.06590	0.7
97.10237	0.4
103.05531	0.6
105.07013	1.3
107.05029	0.6
107.08659	1.0
109.02898	0.6
109.06590	0.6
109.10226	0.9
111.03811	0.3
111.04504	0.9
113.94461	0.3
115.05616	0.3
117.07092	0.5
119.05032	0.7
119.08636	1.1
121.02944	0.2
121.06526	0.6
121.10209	0.8
123.00849	0.9
123.04432	1.9
123.08116	0.6
123.11811	0.3
124.01671	0.3
125.06043	0.3
127.03982	0.3
128.06224	0.5
129.07082	0.7
131.05020	0.6
131.08566	1.3
132.05753	0.5
133.02934	0.3
133.10197	0.8
134.03625	1.9
135.04453	0.4
135.08099	0.5
135.11763	0.4
137.05986	2.1
137.09732	0.3
138.03120	0.5
139.05501	0.4
141.07033	0.5
142.07855	0.4
143.08623	0.8
144.05846	0.3
145.06525	0.6
145.10210	1.0
146.03694	0.3
147.04469	0.4
147.08051	0.3
147.11758	0.7
148.05237	0.9
149.06046	0.6
149.09662	0.6
151.03983	0.7
151.07652	0.3
152.01131	0.6
152.06284	0.5
153.05492	1.7
155.04951	0.4
155.08601	0.4
156.05746	0.5
156.09450	0.3
157.10190	0.9
159.08133	0.5
159.11787	0.9
161.06026	1.6
161.09645	0.3
161.13330	0.5
163.03993	0.8
163.07608	0.9
165.05571	1.2
165.07063	0.6
166.02676	0.5
167.03432	5.9
167.04907	0.6
167.08548	0.5
169.01366	0.9
169.10219	0.3
171.04478	0.5
171.08122	0.5
171.11745	0.3
173.06000	0.4
173.09651	0.4
173.13298	0.7
175.04024	0.8
175.07640	0.4
175.14897	0.3
177.05614	0.3
177.07111	0.3
179.03717	0.3
179.07072	0.9
181.10132	0.3
183.11720	0.3
184.03694	4.9
184.05275	0.9
184.37987	0.2
185.05960	0.3
185.09621	0.3
185.13277	0.4
187.03987	0.4
187.06058	0.2
187.07669	0.7
191.10728	0.3
194.07347	0.5
195.04514	0.7
195.08121	0.7
199.07553	0.5
201.05496	1.4
208.05231	1.2
211.03943	0.4
212.04720	2.3
213.05539	0.6
213.16409	0.4
215.07001	0.4
216.07756	1.2
221.06047	0.3
222.06870	0.5
223.03839	0.6
223.07587	1.1
225.05641	0.3
226.06305	0.4
227.06972	1.8
228.04311	0.5
229.04999	2.6
239.03606	0.3
240.04187	4.2
240.07829	0.4
241.04941	0.4
241.08575	0.3
241.16138	0.3
243.06548	6.0
244.07310	3.6
253.04927	0.3
254.05766	0.8
254.09367	0.3
255.06577	4.6
255.10422	0.9
257.04501	2.0
257.07346	0.3
259.09671	1.5
265.08594	0.6
267.02966	1.5
268.03696	2.4
269.04379	0.3
269.08047	0.7
271.06097	1.7
272.06754	2.6
279.17508	0.4
282.05139	0.5
283.06049	5.1
283.09659	3.1
284.10577	0.3
285.03964	1.6
285.07269	0.4
287.09131	0.4
297.03979	0.3
297.07739	0.3
297.11496	0.6
297.18509	0.6
297.21909	0.4
299.05533	6.1
300.06299	34.2
301.06699	0.5
315.08621	100.0
315.19446	1.9
315.23209	1.0
315.26892	0.6
316.08911	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28208	1.4
53.03945	1.9
55.01855	2.5
55.05509	2.4
56.05039	3.2
58.06348	1.6
58.06606	20.2
60.04520	3.2
63.69185	1.3
65.03909	1.8
66.52621	1.3
67.02546	1.5
67.05499	3.3
68.44764	1.2
69.03416	2.5
69.07056	3.9
70.02933	1.6
70.06599	10.3
71.04988	3.6
71.54935	2.0
72.08151	6.6
75.84815	1.5
79.05473	4.9
81.03407	6.1
81.07054	3.2
82.06598	2.4
83.81569	1.2
84.04509	20.4
84.08130	4.3
85.02880	2.8
86.00648	2.0
86.09709	27.8
88.04002	7.6
89.03954	1.5
91.05489	11.2
93.03403	1.7
94.06564	1.9
95.04959	5.0
97.02893	18.7
98.06037	1.3
102.05536	4.8
105.03407	1.7
107.04959	22.3
108.08091	2.7
109.02890	66.1
110.07143	2.0
111.02641	1.4
111.04445	3.0
114.05534	1.8
119.04979	1.5
120.05753	1.6
121.01114	3.6
122.06036	3.1
123.02654	7.5
123.04426	9.4
124.07566	2.7
125.00556	2.3
127.02143	5.2
130.05046	3.1
130.06531	36.8
133.02882	12.2
133.06490	1.4
134.01852	1.5
135.02663	22.2
135.04390	14.7
136.06192	32.3
137.00597	1.9
137.06006	3.4
138.05539	2.6
139.02104	2.8
140.07079	3.7
146.06001	6.0
147.02640	11.3
147.04379	3.9
149.00543	8.5
149.04706	2.1
151.02130	27.3
151.03899	12.1
151.04990	2.1
151.07558	2.0
152.04254	11.3
152.05322	2.0
152.07057	4.1
153.06848	1.9
155.01628	25.1
155.08191	1.6
157.07625	100.0
158.05994	2.9
159.09131	1.7
161.02377	7.2
161.06035	1.7
162.03722	4.3
163.02126	23.1
163.03854	4.7
163.06242	3.3
164.07086	9.7
165.02356	1.7
166.00845	2.2
167.01634	5.8
169.03285	1.4
170.08150	2.3
173.09264	2.8
174.05450	2.2
175.02119	4.5
175.08768	1.8
176.07068	2.4
177.03760	1.5
179.01639	26.1
179.03326	3.7
181.01897	5.7
181.03180	3.4
181.06152	3.0
182.03915	1.5
183.01135	75.9
183.07664	2.4
185.07071	4.0
188.03731	3.0
190.03256	9.3
191.01620	8.0
192.04471	4.1
192.99426	2.2
195.01135	3.1
195.04767	1.5
196.04288	4.4
197.02696	16.2
201.00023	2.4
201.08826	2.4
203.08145	3.9
205.03116	4.5
207.01158	19.5
207.04990	2.9
208.04234	1.6
209.02776	6.4
211.11539	1.6
218.00389	3.0
218.02573	2.3
219.01167	3.0
222.05830	8.0
223.04311	7.0
225.02179	14.9
233.02667	7.2
236.01401	2.6
236.03760	4.3
238.05290	3.2
250.05475	3.4
251.03712	13.9
264.03348	1.5
268.06393	27.5
268.10712	8.7
269.04831	14.4
269.11798	2.8
279.03363	1.4
282.04297	3.6
286.11911	10.6
296.05923	14.8
296.10342	14.6
296.18472	1.3
297.04297	48.0
298.04538	1.6
298.10727	5.1
299.11365	3.6
314.06906	17.5
314.11368	32.5
314.17261	23.5
314.71078	1.4
326.52060	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.9
57.03445	0.7
67.05532	0.6
67.87242	0.6
69.03417	1.8
70.02949	2.3
70.06590	5.5
70.23971	1.5
71.99099	2.5
72.08160	4.0
73.02924	1.0
81.03419	1.6
82.06580	0.9
84.04507	2.3
84.08137	2.3
85.02907	2.7
85.08423	0.6
86.09709	2.4
88.03996	13.1
90.05534	0.7
91.05492	1.3
93.07097	0.7
94.06577	0.7
95.04982	0.7
95.06116	0.7
95.08582	0.8
97.02898	1.9
98.96027	0.6
99.04449	0.8
103.03934	1.0
107.04954	2.1
108.04498	0.8
108.05229	0.9
108.08108	0.7
109.01103	0.9
109.02901	2.3
109.06535	0.6
110.06059	1.5
110.07147	2.2
116.07109	1.2
117.99586	4.3
120.01142	0.8
121.01099	11.0
123.02672	0.9
124.03947	0.7
124.07565	0.7
128.07083	1.2
134.09633	1.1
135.08092	0.9
136.06203	1.5
137.00539	0.8
137.05984	1.8
138.05492	0.8
138.09125	0.8
147.04398	1.4
149.00578	30.8
150.01039	0.7
150.07771	1.0
151.03900	1.1
152.07086	2.6
152.08189	1.3
152.10698	1.4
163.02063	0.8
164.07109	1.5
165.00067	6.1
166.00900	3.3
167.01659	0.6
170.08113	1.2
176.01721	1.0
179.06982	3.5
180.02399	0.7
180.06439	0.6
181.03174	1.0
183.04793	0.6
192.02571	0.6
192.04774	2.7
192.06483	0.9
192.99553	8.9
193.01280	0.8
193.01872	0.7
194.00352	28.3
197.12927	0.7
208.04303	3.7
209.02693	100.0
210.03053	0.8
218.02669	0.9
224.07536	1.4
225.02299	0.7
238.39175	0.7
250.05304	1.8
253.05252	1.0
254.04900	3.2
270.08054	1.5
278.10535	0.8
279.03439	0.7
296.05872	1.7
296.11285	1.5
314.06857	3.1
314.12231	2.9
314.16907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23146	0.6
55.05503	0.6
56.05023	0.6
67.05478	0.5
68.76707	0.6
69.03424	0.7
69.07079	0.6
69.61619	3.8
70.02945	1.5
70.06585	2.3
71.57803	0.6
71.80370	0.5
71.99094	1.8
72.08166	4.0
73.06554	0.8
74.00678	1.0
79.05492	0.9
81.03431	1.1
81.07029	0.6
82.06578	0.6
82.82049	0.5
84.04498	2.1
84.08143	1.4
85.02897	1.4
86.09711	3.8
88.03998	14.8
91.05452	1.0
93.07056	0.7
97.02894	1.8
98.21486	0.8
99.04449	0.7
102.89380	0.6
109.01074	0.8
109.02883	1.4
110.07162	1.7
116.07127	1.2
117.99587	4.6
119.01156	0.5
120.01189	0.6
120.08186	0.7
121.01108	11.4
123.04427	0.8
124.07576	1.5
130.04982	0.7
134.06039	1.2
135.10187	1.7
137.00565	1.3
137.05989	1.5
138.05423	0.7
147.02631	0.6
147.04425	1.5
149.00575	30.8
151.07542	0.7
152.07065	6.4
152.08331	1.4
159.06563	0.8
163.02177	0.8
164.04698	1.1
165.00072	5.9
166.00806	2.9
167.01584	0.9
171.14819	0.7
176.01674	1.4
179.07037	4.0
180.02460	0.8
181.03178	1.8
185.02625	1.0
192.04765	3.1
192.99567	8.6
193.02040	0.9
194.00343	28.4
195.01112	1.9
200.53477	0.6
207.04816	0.7
208.04335	3.3
209.02690	100.0
210.02902	1.4
215.13969	1.1
218.02715	1.0
223.04210	0.6
224.07381	0.8
225.02197	1.7
240.07417	0.5
250.05353	1.7
253.05327	0.8
254.04770	3.8
270.07996	2.2
277.82397	0.6
296.05939	1.2
297.04309	1.8
314.06949	4.4
314.12195	0.7
314.17081	0.7
314.20444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
52.61110	5.6
54.72670	5.6
55.05513	29.8
57.03413	16.3
57.07063	11.8
64.99329	6.2
67.05507	76.3
69.03450	5.9
69.07077	36.6
70.15990	7.2
70.16341	19.3
71.05008	32.0
79.05496	48.4
80.09600	6.5
81.06596	6.0
81.07061	100.0
82.09058	5.8
83.04967	10.1
83.08608	24.7
85.06528	16.2
91.05505	29.5
93.07040	67.2
95.08609	93.6
97.06519	13.0
98.21448	6.8
103.52171	5.9
105.07022	32.5
107.08601	59.7
109.10181	29.4
111.08050	15.3
115.07571	9.7
115.40589	6.3
117.07029	10.1
119.08578	24.8
121.10154	36.2
123.08076	8.2
123.11679	7.3
130.05104	6.1
131.08595	36.9
133.10143	13.4
135.08116	6.9
135.11670	23.8
138.23363	5.7
145.10132	19.6
147.11685	17.0
149.13242	23.5
152.41393	7.1
159.11690	9.5
161.13263	8.7
163.14842	9.2
171.11661	8.8
172.41296	5.5
173.13274	40.6
175.14862	6.7
187.14833	19.2
191.14349	24.9
207.17479	7.9
209.15344	23.6
210.12019	9.0
211.12341	13.6
239.11832	10.8
259.20599	16.1
262.00824	6.8
277.21664	63.7
295.22412	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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.0
57.03443	21.8
57.07081	61.9
67.05507	13.2
69.07063	9.2
69.64684	12.3
71.04966	2.0
71.08637	38.3
79.05478	2.7
81.07058	16.5
83.08626	13.8
85.10194	20.9
89.06048	4.1
93.07040	2.9
95.08614	24.8
97.10179	7.5
98.21468	4.1
103.07603	2.7
104.88023	1.8
106.55924	1.9
109.10158	11.5
123.11728	5.4
149.21890	1.9
151.62857	2.2
152.90071	1.9
159.02087	1.9
160.74390	1.8
203.42934	1.9
223.13391	2.0
237.21800	1.8
238.00029	1.8
239.23708	3.1
242.05443	2.1
257.24789	7.5
279.94568	1.9
313.27408	100.0
314.13870	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	312.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95817	0.2
60.05655	1.2
68.78767	0.2
69.85616	0.4
69.86012	0.8
70.06597	2.5
72.60493	0.2
75.09017	0.2
79.48077	0.2
81.22319	0.2
92.04987	0.5
94.06580	1.9
96.04527	0.3
105.44251	0.2
110.06035	1.2
116.07116	1.0
120.81584	0.2
130.09810	0.5
132.02107	0.2
138.05510	100.0
139.05823	0.7
158.09259	0.3
175.11923	3.7
176.01109	0.4
186.87688	0.2
189.86903	0.2
305.20123	0.2
323.03140	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0707
Annotation	Ochrolide
Peak:m/z	Relative Intensity
53.03968	0.2
55.01862	0.5
55.05503	0.4
57.03408	0.1
57.07103	0.1
67.05501	0.3
68.99802	0.2
69.03419	0.2
69.07054	0.4
69.29555	1.1
71.08604	0.1
72.08154	0.2
78.04718	1.7
79.05492	0.3
81.03425	0.2
81.07074	0.8
83.08611	0.2
89.03928	0.2
91.05491	0.3
93.07059	0.3
95.04974	0.1
95.08595	0.6
97.02866	0.2
97.06515	0.4
103.05498	0.2
105.03374	0.7
105.07019	0.3
106.04174	2.0
107.08609	0.4
109.02884	0.3
109.06529	0.2
109.10145	0.2
111.16476	0.1
115.55951	0.1
119.08577	0.4
121.02847	0.2
121.06472	0.2
128.06273	0.1
129.07056	0.2
130.07762	0.2
133.02844	0.6
133.10136	0.3
134.03639	6.2
135.03958	0.1
135.11673	0.1
137.02351	0.5
141.01839	0.5
145.10097	0.3
147.04407	0.3
147.11687	0.2
149.02347	0.3
149.05907	0.1
151.03908	1.2
157.02785	0.3
157.06477	0.3
158.07327	0.3
160.05208	0.2
161.05971	0.2
165.01848	2.3
165.07109	0.2
167.03461	0.2
168.05698	0.4
169.06471	0.3
171.04399	0.3
174.03195	0.2
183.02925	1.2
183.11584	0.2
185.05899	0.7
186.06793	1.1
187.03932	0.3
196.05267	0.3
197.06004	0.7
199.04025	0.2
200.04674	0.3
213.05490	3.0
214.06250	2.2
215.03336	0.2
216.04193	0.3
217.08623	0.3
225.05431	0.8
226.06213	0.2
227.03442	0.2
228.04175	0.4
241.04967	12.0
242.05754	3.4
243.02888	0.3
252.04262	0.2
253.04935	0.9
255.06679	0.2
269.04495	1.9
270.05240	8.1
281.04532	0.5
285.07574	0.4
295.06085	0.2
297.03998	1.8
298.04727	57.9
299.04932	0.8
313.07056	100.0
314.07410	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03947	1.6
55.01866	1.8
55.05516	55.7
57.03443	20.5
57.03711	0.5
57.07080	24.5
67.05512	8.0
69.07074	61.3
69.93037	3.2
70.07392	0.9
71.08638	16.2
73.02901	1.2
75.28634	0.7
76.00119	0.6
79.05506	4.2
81.06638	0.9
81.07071	9.2
83.04984	1.6
83.08624	50.0
85.06558	0.8
85.10188	5.7
91.05525	0.9
93.07059	7.0
95.08618	7.5
97.06540	4.9
97.10181	37.7
99.08062	0.9
107.08595	4.6
109.10160	3.4
109.10865	1.1
111.08055	2.2
111.11024	1.1
111.11726	10.9
116.47323	0.7
121.10172	6.1
123.11684	1.1
125.09594	2.5
125.13275	2.7
135.11713	5.5
139.11163	1.2
149.13260	1.8
153.12704	0.9
163.14842	1.4
168.90401	0.8
219.21170	1.0
237.22041	1.0
306.08002	0.8
311.25830	100.0
312.26126	2.7
333.33923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03933	2.0
55.01857	1.1
55.05514	64.1
57.03438	28.9
57.07077	29.4
67.05506	10.0
67.28189	0.9
69.03394	1.0
69.07072	70.9
69.76915	4.5
71.08633	18.6
79.05492	5.9
81.07058	11.6
83.04974	1.6
83.08622	60.3
85.10194	7.2
93.07049	8.5
95.08598	8.5
97.06539	5.9
97.10173	40.3
98.10496	1.1
101.14892	1.0
107.08611	6.8
109.10162	4.3
111.08092	2.7
111.11720	11.9
121.10150	7.2
123.11723	2.6
125.09623	3.0
125.13282	3.5
135.11671	4.6
137.13228	1.1
139.11169	1.8
149.13263	3.7
153.12819	1.3
163.14838	1.9
172.81464	0.9
209.11667	1.4
219.21046	2.6
224.52046	0.9
237.11281	1.8
237.22186	1.2
311.25821	100.0
312.26138	2.1
328.29169	0.8
332.67850	0.9
332.81641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.00698	1.7
53.03942	5.7
55.01873	8.3
55.05513	12.6
56.05844	1.6
57.07077	30.6
60.31397	1.8
62.61648	1.5
67.05509	23.5
67.54055	1.7
69.03433	3.1
69.07069	16.0
69.74971	8.6
70.06606	2.0
71.04987	1.8
79.05497	17.1
81.03436	10.4
81.07056	40.3
83.04979	11.3
83.08614	10.4
85.02906	2.5
85.06548	2.9
91.05477	16.0
93.07056	22.5
94.07381	2.2
95.04974	10.7
95.08606	20.0
96.08913	2.4
97.02932	2.0
97.06557	10.2
97.10188	4.8
105.07047	15.5
107.04952	6.9
107.08611	12.1
109.02916	4.0
109.06529	9.4
109.10146	9.5
111.04448	23.3
111.08087	3.9
117.07034	5.4
119.08572	14.6
120.08982	1.6
121.06540	4.8
121.10168	10.0
123.08083	5.9
123.11729	3.7
125.05999	7.5
125.09646	5.0
131.08582	5.1
133.10146	13.1
135.04411	5.1
135.08075	3.7
135.11743	8.5
137.09584	2.6
145.06519	1.9
145.10147	8.2
147.11716	5.1
147.93990	2.2
149.02386	2.2
149.09608	6.5
149.13281	2.4
151.11220	4.5
153.05482	20.9
157.10127	3.0
159.11736	7.1
161.09550	2.5
161.13303	3.0
163.03928	2.3
163.11217	8.8
165.09167	2.0
169.10156	1.8
171.11769	2.3
173.13277	3.1
177.12694	3.2
179.14319	2.4
181.04958	2.6
181.12273	9.7
185.13443	2.1
187.11293	3.4
191.10658	13.9
193.04962	3.2
209.11746	100.0
210.12039	2.3
221.15373	6.3
223.13290	4.4
237.11237	89.8
241.14357	2.6
255.12326	18.0
275.20123	22.7
276.20328	2.3
293.17487	6.2
293.21143	11.7
311.18692	2.9
311.24185	8.2
311.27722	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	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
53.46111	3.7
55.05519	41.3
56.71631	3.9
57.03434	8.4
57.07077	28.0
65.03968	5.2
67.05513	47.2
69.07076	72.2
69.24529	8.3
69.24934	37.4
71.08648	5.7
79.05491	35.9
81.07063	56.9
83.04988	7.6
83.08615	26.2
91.05485	47.5
93.07053	100.0
95.04979	69.6
95.08612	98.0
97.06544	30.2
97.10183	11.8
105.07036	82.3
107.08602	56.5
109.06512	16.0
109.10164	42.5
111.08070	6.0
117.07001	18.5
119.08594	74.2
121.06522	24.4
121.10151	58.7
123.08076	15.2
123.11694	20.6
128.06210	5.2
129.07007	6.3
130.07797	5.7
131.08598	26.4
133.10130	39.0
135.04419	49.5
135.08041	17.0
135.11690	24.1
137.09642	4.7
137.13278	7.2
141.06900	6.0
142.07780	11.9
143.08569	22.4
145.10138	39.6
146.07214	4.9
147.11740	26.1
149.13260	7.0
153.05461	7.7
155.08446	4.6
156.09378	4.9
157.09026	6.1
157.10135	31.2
158.86502	5.2
159.08180	4.9
159.11719	49.3
161.09642	53.1
161.13269	14.9
169.10129	11.8
171.11725	14.1
173.13293	12.4
175.14880	15.4
177.16412	20.5
181.10114	6.6
183.11723	12.7
185.13252	15.0
187.05594	4.2
187.14804	10.0
189.16393	14.5
195.11716	5.9
197.13292	10.7
199.14890	9.4
201.16403	13.9
209.11679	26.9
209.13391	5.7
211.14854	10.2
213.16452	5.6
215.17883	6.1
223.14838	7.2
225.16266	4.5
237.11273	18.1
255.17540	6.3
293.22546	10.0
311.16534	23.9
311.20261	9.2
311.23300	39.9
311.31305	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	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.58009	3.3
53.03937	7.6
55.01883	17.8
55.05513	23.3
57.03438	6.8
57.07076	53.1
67.05512	50.0
68.05811	4.5
69.03422	4.6
69.07072	33.2
70.04085	31.1
71.04387	5.3
71.04997	8.0
71.08627	4.7
79.05496	38.8
81.03383	8.7
81.07066	72.3
83.04973	16.9
83.08614	15.4
83.32887	3.6
91.05487	22.0
93.07050	36.5
95.04976	19.5
95.08607	47.0
96.08951	4.0
97.06554	18.9
97.10159	8.5
99.08100	6.4
105.07040	25.5
107.04948	12.2
107.08604	27.1
109.02882	3.8
109.06510	15.9
109.10152	23.7
111.04437	21.2
111.08089	4.5
117.07057	7.4
119.08580	20.5
121.06464	6.2
121.10160	23.9
123.04399	4.1
123.08089	13.9
123.11695	15.3
125.05987	11.1
125.09592	5.5
127.07596	4.6
131.08601	16.7
133.10124	12.7
135.04398	12.0
135.08092	11.1
135.11694	12.5
137.09624	6.8
137.13214	3.5
143.08644	4.6
145.10159	10.8
147.11723	20.1
149.09621	10.9
149.13258	7.5
151.03900	6.4
151.11150	5.5
153.05487	17.4
157.10135	7.1
159.11754	10.6
161.13371	5.5
163.03838	3.9
163.11185	8.7
165.12695	4.4
173.09679	5.3
175.11111	4.5
177.12695	3.9
181.04861	4.3
181.12224	8.1
183.11632	5.4
185.13321	4.9
187.14874	3.8
191.10629	19.3
191.14339	3.4
193.04933	6.2
195.13744	3.6
199.06033	15.0
209.11737	100.0
213.05424	4.0
219.10179	4.4
237.11221	80.5
237.14827	7.0
255.12276	24.8
257.18997	5.6
265.17896	18.9
265.21924	3.8
275.20135	38.8
290.39905	3.6
293.17743	5.5
293.20929	29.5
311.05731	5.3
311.15399	18.9
311.19064	5.8
311.24283	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	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01873	1.7
55.05514	13.0
57.03434	2.9
57.07077	11.5
67.05171	1.2
67.05508	13.5
68.99791	1.5
69.07080	6.8
69.81879	5.1
71.04986	1.3
71.08640	10.1
79.05501	8.0
81.07061	11.6
83.05006	4.7
83.08626	6.6
91.05500	6.2
93.07047	8.3
95.04961	4.6
95.08599	10.3
97.06534	2.7
97.10184	7.1
98.20827	1.2
99.08087	7.5
105.07024	6.1
107.04955	3.6
107.08587	7.7
109.02884	1.0
109.06506	2.6
109.10154	4.6
111.04433	6.9
111.08098	1.6
117.06991	1.2
119.08578	1.7
121.06514	2.5
121.10142	4.4
123.11692	2.2
125.06023	2.0
125.09630	3.0
131.08553	2.8
133.10112	3.2
135.04518	2.1
135.08044	1.6
135.11726	2.8
145.10126	2.7
147.11681	1.9
149.13222	2.4
153.05464	6.4
157.10129	1.3
159.11736	1.5
161.09595	1.5
163.11172	2.4
165.12794	4.6
177.12785	2.1
181.05005	1.2
181.12247	3.6
189.11223	2.0
191.10699	4.9
209.11748	32.8
209.13646	2.0
215.10739	1.1
237.11218	23.5
255.12274	4.7
258.53189	1.0
275.20160	7.5
293.21127	100.0
311.13171	1.2
311.16525	2.7
311.20251	1.9
311.26031	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	311.2216
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01860	1.7
55.05513	12.8
55.05780	0.7
57.03422	0.8
57.07082	3.7
63.81498	0.4
64.06431	0.4
67.05508	7.3
69.03422	1.1
69.07069	3.9
70.01273	0.8
70.01672	1.0
71.04974	0.8
71.08633	9.6
79.05492	5.3
81.03417	0.9
81.07058	6.2
83.04996	2.8
83.08615	7.1
85.06528	0.7
91.05487	2.8
93.07045	3.7
95.04960	2.1
95.08607	3.2
97.06525	0.8
97.10174	8.1
98.21425	0.5
99.08104	5.5
105.07029	2.3
107.04968	2.2
107.08601	3.9
108.05721	0.9
109.02877	0.8
109.06516	1.7
109.10158	2.0
111.04448	2.0
111.08092	0.8
113.45232	0.4
117.07044	1.3
119.08558	1.3
120.98413	0.4
121.06514	6.1
121.10149	1.6
123.08070	0.7
125.05995	0.6
125.09634	6.8
129.07002	0.6
131.08565	1.3
133.10120	1.6
135.04446	1.1
135.08031	1.6
135.11687	1.2
137.09636	0.6
139.11162	0.4
141.84729	0.5
143.08571	0.5
145.10199	0.7
147.11679	0.6
149.09616	1.2
149.13217	0.6
151.11177	1.0
153.05470	1.7
153.09097	0.8
157.10126	0.6
159.11705	0.7
161.09602	0.7
161.80635	0.4
163.11212	1.1
165.12724	1.8
167.10637	0.7
171.11659	0.4
173.13303	0.6
177.09106	0.5
177.12708	2.3
181.04854	0.7
189.11182	3.0
191.10684	1.4
191.14236	0.5
194.44351	0.4
195.13858	0.5
209.11728	8.2
215.78142	0.4
237.11209	7.3
247.20645	0.8
255.12379	1.0
257.18994	1.0
275.20114	6.1
293.21112	100.0
294.21472	1.8
311.23730	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03937	3.4
55.01875	7.1
55.05517	79.3
57.03444	28.6
57.06824	2.5
57.07080	31.8
58.62110	1.7
59.55915	1.6
67.05512	41.0
69.07075	78.7
70.73909	4.4
71.04989	3.9
71.08644	18.3
79.05498	24.3
81.03425	2.4
81.07063	42.0
81.90468	1.6
83.04999	8.6
83.08144	3.8
83.08625	62.9
84.21793	1.7
84.82067	1.7
85.06559	2.7
85.10189	5.9
90.29720	1.6
91.05495	12.6
93.07051	27.7
95.04982	9.3
95.08615	26.4
97.02903	2.6
97.06518	9.7
97.10180	40.8
99.04459	2.7
99.08080	2.7
101.06030	1.7
105.07053	10.5
107.04987	3.8
107.08594	20.7
109.06543	3.3
109.10169	22.5
111.04458	11.5
111.08079	5.7
111.11715	14.4
117.07003	5.9
119.08597	7.9
121.06562	2.6
121.10152	13.7
123.08053	3.8
123.11713	6.3
125.09647	5.5
125.13284	1.8
131.08572	7.6
133.10168	11.0
135.08099	2.5
135.11703	12.9
137.09604	4.1
137.13220	2.2
139.11137	3.3
143.08623	2.0
145.10135	6.6
147.11703	4.7
149.09587	5.0
149.13268	4.6
151.11174	6.1
153.12785	3.6
159.11688	3.7
161.13246	2.4
163.11183	7.0
163.14835	3.1
169.12299	2.4
173.13248	2.3
177.12769	2.1
193.12166	2.1
201.16226	1.8
204.24887	1.7
209.11806	9.3
219.21036	2.5
223.13190	2.5
229.19606	3.2
233.95334	1.7
237.09140	1.8
237.11279	7.9
237.22118	2.6
247.20642	8.7
257.18924	5.7
265.21552	3.1
275.20074	26.5
293.21121	45.7
311.16388	4.0
311.25830	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.1
55.01875	13.0
55.05519	40.2
55.27054	6.5
57.07079	40.8
58.70778	6.4
63.48378	6.6
67.05517	60.7
69.07072	40.5
70.68167	17.8
79.05505	40.4
81.07057	85.0
83.04987	17.7
83.08624	23.9
91.05492	37.0
93.07041	45.6
95.04977	22.4
95.08609	49.0
97.06529	18.3
97.10174	7.2
105.07003	35.5
107.04962	15.0
107.08612	36.5
109.06530	20.6
109.10184	32.6
111.04430	14.7
111.08073	9.9
117.07028	12.9
119.08577	38.6
121.10155	22.0
122.58265	6.5
123.08076	12.5
123.11684	10.8
125.09666	11.4
126.70270	6.8
127.07500	7.4
131.08572	21.4
133.09166	6.8
133.10132	29.2
135.08066	7.7
135.11671	16.6
137.09563	8.6
145.10120	21.4
147.11679	16.0
149.09639	21.9
151.11156	11.6
153.05478	18.9
157.10136	8.0
159.11679	11.3
161.13272	7.3
163.11223	14.5
173.13342	10.5
181.12192	10.0
187.14868	6.4
189.11205	7.7
191.10658	18.7
209.11723	100.0
237.11211	96.6
255.12285	19.9
275.20093	90.6
293.17978	7.8
293.21121	28.1
311.24103	17.1
324.49954	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.08245	6.0
52.84415	5.5
53.03933	10.6
53.44845	6.0
55.01876	15.2
55.05519	53.9
55.97077	5.9
56.05890	5.5
57.03427	11.7
57.07082	35.2
67.05504	70.1
69.03419	9.9
69.07076	44.1
71.01865	13.8
71.04982	9.3
79.05496	59.6
81.03435	9.5
81.07063	100.0
83.04979	22.5
83.08614	28.4
85.06551	8.2
86.47269	6.0
91.05489	46.7
93.07059	49.7
95.04981	18.1
95.08617	66.7
97.06514	13.3
97.10178	10.7
99.08052	8.6
105.07030	53.0
107.04974	16.5
107.08600	41.9
109.06513	17.3
109.10161	50.6
111.04444	20.1
111.08124	10.3
115.09012	6.4
117.07001	16.2
119.08591	37.5
121.06537	10.7
121.10144	38.3
123.08041	17.2
123.11732	9.4
125.09635	7.7
126.87359	6.7
131.08598	14.7
133.10127	48.2
135.11697	25.3
137.09627	17.4
138.33702	5.9
143.08557	6.9
145.10132	13.6
147.11664	19.4
149.09673	17.2
149.13295	9.5
151.11230	9.6
153.05455	9.6
157.10049	6.1
159.11697	22.5
161.09583	6.3
161.97627	5.7
162.35234	5.8
163.11162	24.7
173.13290	6.8
175.11046	6.6
177.12787	8.6
181.12199	11.0
191.10577	10.2
193.04916	8.7
193.32498	5.9
209.11737	75.3
210.48643	7.0
216.39946	5.9
223.13199	6.9
223.15225	8.4
237.11250	60.5
255.12299	14.2
257.19193	10.8
275.20068	99.3
276.20416	7.8
293.20914	21.2
311.24316	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03947	2.2
55.01865	10.1
55.05516	28.5
57.03435	6.1
57.07064	5.4
59.05017	2.6
66.83450	2.0
67.05509	68.1
69.03410	6.9
69.07073	17.8
71.04980	9.5
71.08238	3.2
71.08636	60.8
71.28867	3.0
72.08141	3.2
79.05493	30.9
80.05771	2.4
81.03413	9.2
81.07059	47.7
83.04978	23.5
83.08621	17.7
84.29668	2.2
84.69024	2.3
85.02888	4.8
85.06527	6.1
86.28606	2.3
91.04970	2.4
91.05489	26.2
93.07046	39.4
95.04974	14.1
95.08616	45.6
97.02881	3.4
97.06528	14.0
97.10159	10.3
99.08104	34.9
103.05456	2.5
105.07038	16.4
107.04950	6.1
107.08598	20.0
109.06520	6.8
109.10160	41.8
109.94955	2.6
111.04485	2.5
111.08107	5.4
113.06055	2.9
117.07008	7.3
119.08565	19.6
121.06498	4.8
121.10131	12.7
123.08083	4.6
123.11674	4.1
125.09618	7.5
128.06213	3.6
129.07011	4.1
131.08536	10.8
133.06535	2.4
133.10152	14.5
135.08052	4.2
135.11688	7.1
137.05975	5.8
137.09610	7.8
139.11191	49.8
141.07047	2.4
141.09096	2.8
141.12727	4.2
143.08559	6.0
145.10126	10.1
147.07977	2.4
147.11659	5.6
149.09602	6.3
149.13239	4.5
151.11185	32.6
155.10675	14.2
156.90631	2.1
157.10153	5.6
159.11688	8.2
161.09592	10.5
163.11143	2.7
165.12729	6.5
167.85567	2.2
169.10040	2.9
173.02249	3.2
173.11717	16.7
173.13161	5.1
177.12758	12.6
179.10718	6.2
180.14346	2.3
181.10202	2.6
185.13287	2.9
187.07684	3.2
187.11096	3.8
191.08586	2.8
191.14157	3.0
195.13831	5.7
199.03812	3.7
209.11655	3.7
213.05551	3.3
215.07175	2.9
219.08099	4.2
219.17519	3.0
235.11258	2.5
247.20702	4.3
251.10773	8.2
257.18933	8.1
267.13702	3.7
275.20096	29.9
293.21140	100.0
311.08975	4.7
311.12756	12.0
311.16147	5.3
311.22696	10.8
311.27191	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
54.57724	3.7
55.01876	8.1
55.05294	3.9
55.05513	41.7
55.29047	3.7
57.03431	9.8
57.07072	9.3
67.05174	5.3
67.05507	78.2
69.03419	8.0
69.06731	4.4
69.07073	55.8
71.00819	8.4
71.04976	6.5
71.08617	6.4
79.05503	44.7
81.07063	100.0
83.04974	9.3
83.08629	26.8
85.06534	15.6
91.05485	38.5
93.07049	55.1
95.04970	11.0
95.08616	79.8
97.02896	6.1
97.06522	16.4
97.10184	23.8
99.08085	15.4
104.32402	4.1
105.07027	39.0
107.04961	4.7
107.08595	41.8
109.06528	4.5
109.10164	50.4
111.08067	11.5
111.11742	5.5
117.06995	8.2
119.08590	30.5
119.62560	4.1
121.06456	5.9
121.10161	30.6
123.08090	7.6
123.11707	16.5
123.66959	4.7
125.09627	18.2
129.07013	4.8
131.08604	19.8
133.10152	26.7
135.08067	7.6
135.11681	12.0
137.05936	12.0
137.09637	11.4
139.11220	5.1
143.08495	7.6
145.10168	24.6
147.11681	12.8
149.09654	13.4
149.13243	11.9
151.11218	5.0
151.14838	4.9
155.08516	4.7
157.10135	9.4
159.11678	11.6
161.05946	5.1
161.13271	9.7
163.11160	6.9
163.14798	5.3
171.07918	4.2
173.02341	5.3
173.11748	10.2
173.13165	8.7
175.11102	5.4
177.12762	5.2
185.95755	4.4
187.03955	6.1
187.07578	7.8
187.14899	4.8
189.09560	3.9
189.11220	15.2
199.03885	7.9
213.05386	6.7
217.30582	4.7
219.08005	11.3
239.17863	5.8
247.07675	6.7
251.10738	12.5
257.19031	9.1
267.13797	9.7
275.20093	59.6
279.10083	12.3
293.21124	17.6
293.24896	4.4
293.28439	12.0
293.82507	4.5
294.11029	4.6
311.09634	7.5
311.12772	44.7
311.16376	9.4
311.20090	12.3
311.23718	8.9
311.29666	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03949	9.3
55.01875	23.2
55.05301	4.5
55.05513	49.3
57.03443	10.1
57.07059	6.1
67.05502	66.4
69.03419	11.2
69.07059	42.6
70.06567	5.0
71.04977	7.5
71.55740	6.9
79.05488	63.7
79.78495	5.2
81.03401	9.5
81.07057	100.0
83.04971	28.0
83.08607	21.3
91.05473	64.3
93.07045	66.9
95.04958	17.1
95.08606	85.0
97.06529	36.1
97.10156	18.9
99.08105	10.5
105.07024	73.0
105.23043	4.7
106.09942	4.8
107.04915	11.6
107.08593	73.7
109.06506	20.9
109.10165	37.6
111.04469	11.8
111.08073	10.3
113.06000	5.5
115.03954	11.6
117.04292	4.9
117.07014	30.4
119.08586	56.9
121.06506	19.9
121.10147	49.3
123.08070	12.8
123.11685	16.8
123.13762	4.6
125.06042	5.8
125.08805	6.7
125.09620	38.4
127.07529	5.6
128.06174	7.5
129.06992	12.5
131.08553	39.2
133.06505	7.4
133.10120	34.6
135.08026	14.5
135.11713	23.9
137.05980	16.0
137.09592	6.1
137.13266	13.5
141.06984	10.3
142.07730	9.1
143.08598	11.4
145.06480	6.5
145.10146	51.2
147.07932	5.3
147.11719	25.3
149.05943	7.2
149.09602	17.8
151.11238	6.3
153.12762	5.3
155.08525	11.5
156.09366	5.3
157.10130	23.4
159.08058	12.2
159.11653	36.1
161.13243	29.4
163.11206	9.1
169.10115	14.5
169.73126	4.8
171.08112	5.0
171.11630	8.6
173.09619	10.7
173.13240	16.7
175.11139	9.3
177.09166	6.9
177.12692	6.0
181.12195	6.0
182.10907	5.1
185.05920	6.3
185.13263	5.8
187.14798	25.8
189.11223	15.8
191.08475	7.2
191.14372	6.3
191.69485	5.0
197.13309	23.1
199.03758	7.0
205.15874	5.4
209.11633	6.7
213.05630	9.0
215.06970	7.5
215.14299	64.6
218.07173	5.3
219.08089	10.4
233.15370	94.0
251.10561	10.3
251.16389	32.5
257.19138	7.4
267.21542	6.8
275.20029	56.1
279.10098	10.0
293.11786	7.9
293.17947	22.7
293.20718	24.6
311.09219	10.6
311.12714	35.6
311.16031	6.8
311.20282	9.0
311.23642	21.0
311.27020	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	311.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05392	0.6
52.74710	0.7
53.03942	0.7
55.01864	4.7
55.05517	5.9
57.03433	1.5
57.07075	28.5
65.03915	0.8
67.05513	8.4
68.99787	1.4
69.03411	2.3
69.07075	5.3
71.01339	1.7
71.04984	0.9
71.08625	1.8
72.92380	0.6
79.05494	7.3
81.03414	1.7
81.07056	9.0
83.04987	11.3
83.08612	4.2
85.02916	1.3
85.06492	0.9
88.07619	0.9
91.05485	5.5
93.07059	7.8
95.04967	5.5
95.08611	6.0
97.06525	4.6
97.10159	2.1
98.20718	1.5
99.08096	1.0
105.07035	3.6
107.04938	3.8
107.08596	7.7
109.02876	4.3
109.06512	2.0
109.10147	4.6
111.04446	21.9
111.08087	2.3
115.05471	0.9
117.07008	1.9
117.49043	0.7
119.08592	3.9
121.06511	2.1
121.10153	5.2
123.08077	1.1
123.11677	1.3
125.06005	9.0
125.09644	2.0
129.19609	0.8
131.08583	3.5
133.10144	4.2
135.04434	4.3
135.08008	0.8
135.11673	3.9
137.09601	1.4
139.07500	1.2
139.11128	0.8
141.09105	0.8
145.10095	3.7
147.07993	1.2
147.11711	2.3
149.02364	2.3
149.09618	4.6
151.11232	1.4
153.05470	18.6
153.09076	0.8
153.12689	0.9
157.10100	1.3
159.11711	1.3
163.03993	1.4
163.11197	6.9
165.09154	1.6
173.09641	1.0
173.13281	1.2
175.07550	0.8
177.12772	0.7
181.04953	3.8
181.12225	8.8
189.11261	1.6
191.10686	14.8
193.04942	4.0
193.08546	1.6
193.42505	0.7
196.62524	2.2
209.11732	100.0
210.12059	1.5
219.10136	0.7
223.13277	4.3
224.65709	1.1
235.16867	1.2
237.11226	79.8
238.11481	1.1
255.12267	18.0
257.19064	1.4
262.10483	0.9
275.20068	9.2
293.17435	5.8
293.21106	6.8
311.18564	2.2
311.24844	6.2
311.74762	0.8
312.92462	0.7
332.25101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03950	5.5
55.01874	18.5
55.05513	46.8
57.03429	7.3
57.07082	13.2
58.08480	2.5
65.03947	4.1
67.05505	73.7
68.99804	2.1
69.03421	5.1
69.07069	31.7
70.87784	2.4
71.00967	4.7
71.04989	7.9
71.08625	4.9
77.03907	2.1
79.05067	3.4
79.05499	46.3
80.05817	2.5
81.03423	6.9
81.06583	4.7
81.07060	72.6
82.07358	2.3
83.04996	14.3
83.08627	21.6
85.06557	6.1
85.10190	5.7
89.65706	2.0
91.04964	3.4
91.05486	39.7
93.07048	43.5
95.04956	20.7
95.08612	42.8
97.02896	5.9
97.06517	8.9
97.10185	11.3
99.04463	3.3
99.08127	5.5
105.07031	36.1
107.04945	12.1
107.08601	39.4
109.06514	9.9
109.10160	48.4
111.04469	13.0
111.08103	7.7
113.09648	5.5
117.07008	10.0
119.08592	17.3
121.06505	8.0
121.10136	19.2
122.10503	3.8
123.08080	9.8
123.11691	10.1
125.05996	6.1
125.09594	10.4
129.06999	3.2
131.08592	13.3
133.06496	2.6
133.10139	39.7
135.03391	5.4
135.04420	100.0
135.08031	3.6
135.11687	15.3
137.09613	8.7
145.10153	16.8
147.08081	2.4
147.11687	4.9
149.09633	10.6
149.13239	5.5
151.11220	17.3
153.05441	5.5
155.08548	2.6
157.10089	3.4
159.08070	3.5
159.11699	8.3
161.09637	41.7
161.13286	2.3
163.11153	17.7
163.14807	2.5
165.09186	2.3
165.12860	3.5
169.12202	5.9
171.11682	3.5
173.09558	2.4
173.13228	4.8
177.12762	5.5
179.10678	3.0
181.12271	6.8
183.11630	2.4
191.10658	2.4
191.14398	2.5
195.13805	6.0
205.12282	3.5
209.11769	21.6
219.13937	2.7
223.13292	4.5
229.19521	4.0
232.08934	2.4
237.11189	12.4
242.16945	2.2
247.20575	10.7
257.19034	10.4
265.21652	3.8
275.17264	4.3
275.20078	55.2
293.17786	5.0
293.21109	86.0
311.05438	3.2
311.16434	3.6
311.22678	5.8
311.25977	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	311.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
55.05515	5.6
69.03445	0.5
70.06590	0.9
70.50936	0.5
71.04769	1.0
72.08159	100.0
73.06560	11.8
73.06969	0.6
73.31082	0.5
83.93612	0.6
84.08159	0.6
89.10798	17.1
91.05502	0.5
95.04957	0.6
98.06039	5.2
99.09227	1.9
100.07609	1.3
105.07055	1.6
107.04962	38.6
114.27258	0.5
122.89334	0.5
131.04955	1.5
133.06500	13.1
136.07574	1.4
136.16833	0.5
137.05939	0.6
140.07079	0.8
149.06009	1.1
151.07646	0.5
159.04416	1.0
160.05267	0.6
160.07610	0.8
161.05986	6.2
177.05481	8.0
187.03925	3.2
188.07079	2.8
195.06567	2.2
204.06627	1.5
205.04848	0.6
216.06596	2.7
232.13319	1.4
234.07576	0.8
248.12874	3.2
258.11243	4.9
262.54254	0.6
265.15616	0.6
275.13770	1.0
276.12302	7.8
293.14978	13.6
293.18103	1.1
294.13358	17.5
311.16025	49.2
312.16385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	6.3
69.61720	3.1
70.06597	0.8
72.08158	100.0
73.06561	11.1
73.08507	0.6
80.09103	0.5
84.08152	0.8
89.10797	16.7
91.05486	0.8
98.06056	5.6
99.09223	1.6
100.07636	1.6
105.07037	1.7
107.04961	36.1
109.43671	0.5
110.06055	1.9
114.09172	0.6
119.04940	0.7
131.04868	1.3
133.06500	13.3
135.04430	0.9
136.07574	1.9
137.05989	0.9
140.07123	0.8
147.04356	0.5
147.05508	0.5
149.05974	1.1
154.04930	0.6
154.08646	0.7
159.04419	0.6
160.07610	1.2
161.05978	6.1
163.03871	0.6
164.01517	0.7
175.91945	0.5
176.06987	0.6
177.05470	10.1
177.06900	0.9
187.03859	2.4
188.07053	2.7
191.06987	0.8
195.06537	2.9
204.06590	0.9
216.06619	2.1
221.08127	0.6
232.13327	2.0
234.07742	0.7
248.12854	4.1
258.11227	3.3
265.15631	0.9
275.13812	1.6
276.12338	7.6
293.14957	12.0
294.13367	15.6
311.16022	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	311.1278
Annotation	Porphyrin
Peak:m/z	Relative Intensity
53.03947	2.0
53.24277	1.3
53.84403	1.4
55.05520	8.6
59.52346	1.2
67.05503	6.1
69.03432	2.0
69.07048	5.1
70.06590	7.6
71.04983	1.8
72.08160	46.4
73.06522	1.6
79.05499	7.3
79.31822	1.2
81.07057	16.9
83.08625	2.2
84.08149	1.6
85.02920	1.7
85.06526	1.4
91.05489	10.4
93.07030	5.8
94.04169	5.9
95.04973	3.0
95.08623	9.8
97.02875	3.0
97.06527	3.5
103.05484	3.1
105.07027	13.4
107.04948	5.0
107.08597	3.5
109.06510	6.7
109.10134	5.0
111.08077	1.8
115.05437	4.0
116.06268	2.3
117.07008	1.5
119.08595	3.6
121.06496	3.7
121.10146	4.8
122.03661	10.7
123.04424	1.4
123.08081	1.3
123.11721	4.0
124.07549	2.3
127.05409	1.8
128.06194	2.5
129.06995	5.6
131.04890	3.7
131.08563	3.5
133.06506	10.8
133.10143	2.6
135.04424	1.6
137.05986	100.0
137.09586	1.7
144.05739	2.4
145.06473	2.1
147.08014	1.7
149.02354	32.1
149.06050	7.3
151.07588	2.4
152.06299	1.6
155.04916	8.4
159.08035	8.2
161.05965	19.5
163.03928	2.0
165.06975	4.3
167.07059	2.0
171.04471	1.5
172.05214	4.4
175.07574	5.8
180.09291	1.5
185.06021	1.6
187.07545	32.1
189.06960	9.4
189.08969	1.5
190.07793	29.6
191.08565	55.8
192.08911	2.0
195.07953	2.1
199.03984	1.4
201.05449	2.3
202.07748	3.0
203.07018	5.5
205.06508	4.3
205.10048	1.4
207.08124	8.3
208.08856	8.5
217.06528	2.5
218.07304	18.6
219.08064	79.5
220.08784	9.1
221.05959	3.1
222.06822	1.9
223.11145	1.7
229.07581	3.4
231.08122	2.1
233.09610	3.1
235.07578	8.4
236.08339	16.3
237.09131	3.0
246.06786	2.1
247.07556	29.7
248.08275	3.6
249.05505	2.2
249.09259	1.7
251.10684	96.9
252.11047	2.6
252.16025	2.1
253.08725	8.3
261.09045	5.0
263.07022	4.0
264.07932	12.2
265.08646	4.9
266.21213	1.9
267.10193	3.0
278.09549	1.6
279.10168	77.8
280.10831	7.5
281.08148	10.2
283.09482	2.1
283.13217	3.5
284.80130	1.5
293.22183	6.4
294.20636	5.6
296.10455	10.2
311.09622	4.3
311.12787	87.8
311.20093	3.4
311.23196	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	311.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73623	2.8
53.03940	4.0
55.01876	7.9
55.05515	4.5
56.38036	3.0
56.96553	5.0
57.03434	11.0
61.02931	7.2
65.23090	2.9
67.05495	4.6
69.03431	47.3
69.07090	5.0
69.65536	15.7
70.06596	18.8
71.01346	2.6
72.08162	33.2
73.02918	12.2
73.06561	3.3
77.03942	3.9
79.05481	5.7
81.03419	18.4
81.07066	3.9
83.04993	6.4
84.04512	19.2
84.08150	19.7
85.02915	30.0
86.09711	5.5
91.05486	20.0
93.07036	6.5
94.06538	2.7
95.04990	6.6
97.02905	42.2
98.06074	6.0
98.97596	6.6
99.04457	5.3
103.03921	8.7
103.05462	11.5
105.03377	7.9
107.04971	15.6
109.02891	5.3
110.06065	14.4
110.07178	3.4
111.04449	4.1
115.03934	10.4
115.05463	8.2
117.07044	8.2
119.04948	26.9
121.06511	8.5
122.03625	8.8
122.06075	4.2
123.04440	24.8
124.07609	7.8
127.03908	20.5
128.07101	3.0
128.32907	3.0
129.05464	4.3
131.04927	27.6
133.02867	22.7
133.06561	5.4
133.07631	9.7
134.03596	3.5
134.06035	4.2
135.04417	5.8
136.07593	48.9
137.05980	100.0
140.07072	12.9
141.07007	8.2
143.04938	6.1
145.04991	4.9
145.06488	13.6
147.04414	28.3
149.06009	31.0
149.86990	3.1
151.03975	15.1
151.07564	7.0
152.07047	3.3
154.08650	17.7
155.04898	4.7
157.06473	4.9
159.04463	10.4
160.05150	5.7
161.02312	4.1
161.05994	7.9
161.07126	97.0
162.03049	7.8
163.03845	6.2
163.07545	15.7
164.04681	4.6
165.05504	23.8
167.07068	7.7
169.06497	14.9
173.05983	5.9
175.07552	14.5
175.08827	4.4
176.04677	9.1
177.05482	57.6
177.09030	6.0
179.03416	12.2
179.07014	20.3
182.08162	22.4
183.04408	4.5
185.05933	3.9
187.07552	11.9
189.05489	4.6
190.06271	5.4
191.03615	2.5
191.06976	45.9
197.06020	13.2
199.07378	2.6
200.04749	4.4
201.05420	3.4
201.10289	9.0
202.08603	5.5
203.06953	21.0
205.08505	4.2
205.97838	2.8
207.06511	4.3
215.07051	16.6
215.08855	2.7
217.08670	8.2
221.08112	11.6
223.04231	9.9
225.05394	2.5
229.08461	23.6
233.08063	15.5
236.03752	3.4
239.08334	3.2
245.09444	14.9
254.45360	3.1
257.09058	27.5
261.03033	3.1
275.10278	15.3
293.11108	27.5
293.15134	7.3
294.13309	4.1
311.01837	2.8
311.06625	9.1
311.11813	25.2
311.16113	19.4
320.89560	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93594	1.2
53.03923	1.3
55.01864	2.4
55.05505	3.1
56.05017	1.5
57.03423	1.8
60.57096	1.2
61.02932	9.1
67.05511	7.5
69.03423	3.3
69.07056	1.9
70.06571	4.0
71.54667	1.6
72.08161	7.0
72.96822	1.6
73.02892	2.5
79.05489	3.7
80.77515	1.7
81.03432	4.3
82.06579	4.2
83.04972	3.4
84.08160	7.7
85.02904	3.9
85.06561	10.0
86.09707	2.5
91.03937	2.2
91.05485	6.2
93.07074	2.5
94.06569	3.4
95.04944	3.3
96.04474	2.0
97.02876	2.6
98.06046	4.7
99.17767	1.3
103.03925	4.9
103.05481	6.9
105.06999	1.9
107.04951	8.9
110.06055	100.0
110.07230	3.0
111.04444	6.3
112.07616	3.8
112.11256	2.6
115.05468	7.5
117.03365	2.8
117.07036	11.6
119.04966	2.4
119.08598	1.8
121.06519	3.2
122.06043	22.1
123.04423	1.8
124.07572	3.6
125.06037	2.6
129.06989	2.2
131.04945	19.8
133.02843	2.6
133.06505	2.0
135.04408	2.2
136.07571	7.3
137.05959	9.3
138.09134	3.0
140.07080	34.5
141.07004	3.4
142.08627	4.5
143.04921	4.5
144.05722	2.2
145.02789	3.9
145.06520	23.3
147.04437	7.1
148.05199	2.6
149.05995	19.0
151.03934	7.0
151.07552	3.2
152.07132	1.5
153.05438	3.2
154.08650	7.2
156.06569	28.4
157.06459	3.2
159.04466	2.1
159.08040	1.7
160.05170	5.2
161.05969	9.6
162.03136	2.9
162.06789	4.1
163.07549	7.5
169.06546	2.5
172.05225	3.3
172.09711	4.7
173.06015	2.6
175.03891	1.9
175.07590	6.9
176.04724	8.8
177.05486	63.9
177.09055	11.1
179.03424	5.3
179.07016	4.5
183.04324	2.1
185.06079	1.9
187.07634	10.1
188.10640	1.6
189.05473	5.8
189.09091	1.5
190.06259	3.1
191.07047	42.6
195.06549	2.8
197.05986	4.3
200.04695	2.6
203.07048	25.2
205.08595	8.5
207.06563	5.1
208.09715	5.4
214.06259	2.6
215.07019	17.0
217.08603	4.6
219.06581	3.7
221.08118	11.8
229.08571	8.4
230.11987	1.5
231.06557	1.8
233.08116	8.5
233.12872	1.5
245.08215	6.1
251.09174	1.9
251.45169	1.7
257.08136	5.9
257.12915	4.1
258.11136	2.8
265.10931	1.7
271.97754	1.6
275.09186	4.0
275.13898	10.3
276.12302	2.0
293.10242	11.3
293.14975	24.3
311.11264	49.9
311.16006	15.2
311.19177	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	311.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
53.14672	1.7
55.01877	2.6
57.03438	5.0
61.02933	14.0
67.05493	5.6
69.03424	11.8
69.07060	3.2
70.06591	11.1
71.54156	3.9
72.08169	11.4
73.02912	5.2
73.06538	2.4
79.05491	2.6
81.03411	5.4
81.06993	1.9
82.06577	4.0
84.04501	8.1
84.08158	10.1
85.02906	10.5
86.09706	3.1
89.03896	2.2
89.06007	1.7
91.05478	9.1
93.07045	7.6
93.35809	1.8
95.04962	6.5
95.08547	2.3
96.08109	2.5
97.02879	4.8
97.06541	1.8
99.04460	2.2
100.02306	2.0
103.03944	16.8
103.05464	12.7
105.06986	3.7
107.04965	18.8
107.08623	3.1
109.02872	2.6
109.06483	2.8
110.06039	4.8
111.04517	2.4
115.05461	13.6
117.03296	2.4
117.07009	22.9
119.04932	6.7
120.08098	3.0
121.06516	33.7
123.04430	3.4
124.07584	8.2
127.03922	3.8
128.07079	6.7
129.07040	2.3
130.04971	4.7
131.04933	37.7
133.02832	2.2
133.06482	4.0
135.04382	3.2
136.07605	4.7
137.05978	18.2
138.05501	3.1
138.09148	13.6
140.07068	4.7
141.06950	3.4
143.04910	12.8
144.05727	2.5
145.06494	43.3
147.04431	11.5
147.08005	2.5
149.04996	2.7
149.05980	13.3
151.03900	4.8
153.05556	2.7
154.08650	7.1
156.06578	6.3
157.06508	3.2
159.04361	9.4
160.05217	7.6
161.06003	11.2
162.03122	7.0
162.06761	5.9
162.09084	2.6
163.03908	3.3
163.07553	8.4
165.05475	2.8
169.06494	6.9
171.04428	3.1
173.06020	2.5
175.03951	2.2
175.07585	15.0
176.04709	31.5
177.05479	54.4
177.09119	19.0
178.03304	2.6
179.03426	8.4
179.07025	3.6
181.04997	3.0
183.04410	2.6
187.07550	11.6
188.04674	3.5
189.05414	11.0
189.09018	2.9
190.06284	4.3
190.08633	7.4
191.07039	100.0
191.08510	4.1
193.05077	2.8
197.05898	5.4
200.04755	3.3
201.09000	3.6
203.07036	42.8
205.06808	2.0
205.08549	11.7
207.06519	7.9
208.09683	6.4
211.07510	2.3
215.06989	20.3
217.08531	3.9
219.08138	3.4
221.08075	20.4
229.08534	12.4
230.11676	2.3
231.06396	3.0
233.08038	13.4
237.09164	6.1
245.08096	4.8
247.14490	5.4
248.12596	2.7
250.10733	7.4
257.08148	9.0
265.08810	3.7
275.09384	4.3
275.13821	4.0
293.11041	7.4
293.14935	8.2
311.05682	4.9
311.11301	55.7
311.15964	20.2
311.19592	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90959	1.0
53.03933	3.1
55.01863	4.2
55.05265	1.3
55.05515	24.1
57.03431	4.8
57.07079	9.7
58.02408	1.0
59.05011	5.4
61.62534	1.1
65.03927	2.6
67.05510	46.0
69.03436	6.9
69.07073	42.5
69.07455	1.7
70.03510	4.1
70.06590	1.7
71.04990	5.2
71.08621	3.9
72.08152	3.7
77.70750	0.9
79.05062	1.6
79.05498	24.3
81.03432	11.9
81.07061	100.0
82.07396	1.3
83.04978	3.2
83.08628	19.5
84.04488	1.3
84.08175	2.2
85.02899	4.4
85.06543	22.7
91.04964	1.7
91.05488	19.7
93.06470	1.9
93.07052	41.4
95.04974	20.1
95.08613	81.5
97.02888	5.4
97.06541	6.5
97.10175	13.4
99.04449	1.8
99.07490	1.5
99.08100	26.2
100.11252	2.4
105.07020	13.1
107.04944	4.1
107.08603	36.0
108.08862	1.0
109.02888	5.3
109.06491	3.2
109.10163	75.0
111.07372	1.2
111.08087	16.4
111.11720	9.6
113.09639	1.5
115.05441	1.2
117.05505	1.8
117.07010	2.7
119.04954	24.3
119.08572	12.0
121.06528	1.7
121.10159	28.0
121.11018	1.9
123.04442	8.8
123.08071	1.8
123.11716	28.3
125.09618	4.3
125.13231	1.6
127.03899	2.2
127.11186	1.5
129.06987	3.6
131.08525	2.4
133.10153	6.9
135.08012	2.3
135.11703	22.4
137.05968	2.4
137.09616	1.9
137.13272	13.5
138.05461	1.4
139.11197	5.6
141.12726	1.0
143.08510	2.0
145.02881	2.4
145.06448	1.5
145.10144	5.5
147.04424	91.9
147.08014	1.9
147.11711	6.6
148.04730	2.3
149.02342	2.1
149.05969	2.2
149.09619	1.2
149.13278	23.5
151.11194	2.0
151.14815	4.2
153.12721	3.9
157.10120	1.6
159.11699	1.3
161.13278	3.5
163.03926	1.2
163.11166	3.5
163.14856	13.8
165.05453	2.0
165.16350	3.4
166.08675	2.3
167.14302	2.8
171.11722	1.2
173.09610	1.9
175.14824	3.3
177.05463	4.3
177.16391	9.1
179.08601	1.1
179.18022	1.4
181.06300	1.0
181.15759	1.1
185.13304	1.8
189.06992	1.3
189.12849	1.8
189.16368	2.5
191.18018	5.9
195.17442	2.3
203.08629	1.3
203.17972	4.0
205.19449	1.7
206.07375	1.4
207.13849	3.6
207.17409	1.2
209.19049	4.9
210.14977	1.0
213.12840	1.0
217.12259	2.1
217.19566	2.6
218.42313	1.3
219.08096	1.5
220.05013	1.1
221.09633	2.7
223.07516	1.7
231.13907	2.3
234.06680	2.9
235.07529	2.0
235.13306	7.1
245.22742	1.1
247.24196	2.7
249.09151	4.2
251.07043	1.3
263.11819	2.3
266.05630	1.1
266.09238	1.2
273.25732	7.1
277.08566	6.9
279.06464	1.0
279.26855	1.4
281.11682	3.2
291.08737	5.7
291.19601	2.0
291.26840	34.0
292.32693	1.0
294.08765	2.1
309.07639	2.5
309.11142	13.1
309.16721	8.2
309.22107	2.2
309.27917	12.0
310.27966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03961	5.7
55.01868	6.4
55.05511	29.6
57.03434	7.0
57.07081	10.1
59.05010	5.5
62.23719	1.1
65.03931	2.5
67.05508	48.0
69.03432	9.1
69.07072	44.9
69.65360	5.6
69.65768	2.7
70.06581	1.5
71.04996	6.8
71.08620	5.1
72.08132	3.4
79.05494	26.0
80.48878	1.1
81.03419	15.0
81.07062	99.8
82.07391	1.4
83.04967	2.9
83.08624	20.8
85.02904	4.8
85.06548	24.6
91.05485	26.9
93.06474	2.5
93.07050	42.0
95.04977	24.5
95.08612	87.7
97.02888	6.5
97.06538	6.4
97.10173	16.4
99.08094	26.3
100.11234	1.4
101.45941	1.2
105.07018	11.5
107.04956	5.0
107.08603	40.5
109.02876	6.2
109.06528	3.6
109.10164	69.9
111.08086	15.8
111.11719	8.9
113.09639	1.4
117.03423	2.1
117.05479	1.2
117.07011	2.9
119.04953	27.3
119.08575	8.9
121.06489	2.7
121.10149	31.2
123.04444	11.1
123.08088	2.9
123.11720	29.0
125.09628	5.0
125.13252	3.2
127.03935	2.0
127.11246	1.3
129.07011	3.4
131.08548	4.0
133.06552	1.5
133.10138	7.3
135.08035	3.0
135.11697	26.3
137.02327	1.6
137.05988	2.9
137.09579	2.3
137.13264	15.9
139.11197	5.6
143.08556	1.5
145.02824	2.6
145.10129	4.4
147.04419	100.0
147.11691	8.4
148.04767	2.3
149.02333	4.9
149.05978	2.0
149.09621	1.7
149.13261	20.3
151.11194	2.8
151.13318	1.1
151.14807	3.7
153.09116	1.2
153.12697	2.4
157.10158	1.4
159.11728	1.8
161.13249	3.6
163.11200	4.9
163.14842	14.0
165.05525	2.9
165.12743	1.8
165.16409	1.5
166.08586	1.7
167.14323	2.2
171.11684	1.9
173.09590	1.4
175.14825	3.9
177.05499	4.5
177.16379	8.6
178.07803	1.2
179.18002	1.4
181.15941	1.7
185.13292	2.1
189.06987	1.6
189.12755	3.0
189.16365	2.7
191.17929	6.6
195.17447	1.4
201.80075	1.0
203.17964	3.2
205.06490	1.8
205.19490	1.5
206.07301	1.4
207.13828	5.0
209.19002	4.1
217.12219	1.9
217.19492	2.2
231.13792	2.3
234.06731	3.9
235.07448	2.3
235.13301	10.0
235.20601	1.4
247.13345	1.2
247.24112	2.7
249.09085	3.5
251.07089	1.7
262.06454	1.3
263.11749	2.5
273.18451	1.3
273.25635	7.5
277.08557	5.7
279.26831	1.4
281.07944	1.7
281.11533	2.7
291.08636	6.8
291.13470	1.3
291.19693	2.3
291.23392	1.4
291.26794	32.4
294.09033	1.8
309.07205	3.1
309.11148	12.5
309.16943	12.4
309.20694	1.5
309.21414	1.4
309.27881	15.2
310.11951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.87559	1.8
52.01604	1.7
53.03944	3.6
55.01862	8.3
55.05273	2.1
55.05516	38.9
57.03424	5.5
57.07079	10.2
59.05002	3.8
60.25534	1.8
65.03935	4.2
67.05176	3.4
67.05511	56.4
69.03413	4.2
69.07075	29.5
70.38469	4.3
70.38831	3.5
70.46611	1.8
71.04985	4.8
71.08636	23.0
72.12090	1.8
73.06561	1.9
77.47494	1.8
79.05495	45.1
81.03419	4.7
81.06577	3.7
81.07061	64.8
83.04993	13.9
83.08617	15.5
85.06540	5.2
85.10178	2.4
85.60245	1.8
91.05482	37.6
93.06474	3.8
93.07051	57.1
95.04982	28.4
95.08614	44.3
97.06525	13.5
97.10155	7.8
99.08100	20.3
105.07033	26.4
107.04965	5.0
107.08603	26.2
109.06515	8.6
109.10168	17.2
111.08072	6.5
117.07019	7.9
119.08572	20.6
121.06471	2.0
121.10151	23.3
123.04401	2.4
123.08071	6.9
123.11705	6.4
125.09637	5.8
128.06282	1.9
129.07013	5.2
131.08603	11.3
133.10141	24.2
135.08080	2.1
135.11693	15.6
137.09714	4.1
137.13278	2.7
139.07547	2.1
139.11177	9.3
143.08533	3.1
145.10152	10.3
147.11703	19.7
149.09589	2.7
149.13226	9.8
151.11195	12.5
153.12767	5.8
157.10138	10.6
159.11679	7.3
161.13245	10.5
163.11198	6.8
163.14825	2.4
165.12741	7.2
171.11694	6.1
173.13287	4.3
175.11182	4.8
175.14848	7.1
177.12762	3.5
179.14250	6.2
185.13264	6.9
190.73141	2.1
191.17801	2.3
193.12263	8.9
199.14674	2.5
207.13789	3.1
215.17931	2.2
217.19438	2.8
221.15347	5.7
231.21065	3.6
241.19508	5.7
249.22101	5.8
259.20523	14.0
277.21631	100.0
278.21997	2.4
291.23242	3.1
295.22644	5.2
309.21210	2.2
309.24329	29.5
309.29745	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87559	1.8
52.01604	1.7
53.03944	3.6
55.01862	8.3
55.05273	2.1
55.05516	38.9
57.03424	5.5
57.07079	10.2
59.05002	3.8
60.25534	1.8
65.03935	4.2
67.05176	3.4
67.05511	56.4
69.03413	4.2
69.07075	29.5
70.38469	4.3
70.38831	3.5
70.46611	1.8
71.04985	4.8
71.08636	23.0
72.12090	1.8
73.06561	1.9
77.47494	1.8
79.05495	45.1
81.03419	4.7
81.06577	3.7
81.07061	64.8
83.04993	13.9
83.08617	15.5
85.06540	5.2
85.10178	2.4
85.60245	1.8
91.05482	37.6
93.06474	3.8
93.07051	57.1
95.04982	28.4
95.08614	44.3
97.06525	13.5
97.10155	7.8
99.08100	20.3
105.07033	26.4
107.04965	5.0
107.08603	26.2
109.06515	8.6
109.10168	17.2
111.08072	6.5
117.07019	7.9
119.08572	20.6
121.06471	2.0
121.10151	23.3
123.04401	2.4
123.08071	6.9
123.11705	6.4
125.09637	5.8
128.06282	1.9
129.07013	5.2
131.08603	11.3
133.10141	24.2
135.08080	2.1
135.11693	15.6
137.09714	4.1
137.13278	2.7
139.07547	2.1
139.11177	9.3
143.08533	3.1
145.10152	10.3
147.11703	19.7
149.09589	2.7
149.13226	9.8
151.11195	12.5
153.12767	5.8
157.10138	10.6
159.11679	7.3
161.13245	10.5
163.11198	6.8
163.14825	2.4
165.12741	7.2
171.11694	6.1
173.13287	4.3
175.11182	4.8
175.14848	7.1
177.12762	3.5
179.14250	6.2
185.13264	6.9
190.73141	2.1
191.17801	2.3
193.12263	8.9
199.14674	2.5
207.13789	3.1
215.17931	2.2
217.19438	2.8
221.15347	5.7
231.21065	3.6
241.19508	5.7
249.22101	5.8
259.20523	14.0
277.21631	100.0
278.21997	2.4
291.23242	3.1
295.22644	5.2
309.21210	2.2
309.24329	29.5
309.29745	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	309.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.6
55.01870	10.3
55.05516	45.4
57.03434	7.3
57.07074	8.5
59.05005	3.5
63.63833	2.2
67.05508	94.2
69.03432	6.9
69.06719	3.7
69.07072	41.4
69.86926	13.0
71.05003	4.1
71.08633	41.0
74.50490	2.2
79.05497	56.7
81.03419	27.2
81.06586	3.3
81.07063	67.0
83.04996	18.2
83.08627	28.2
85.06573	5.7
90.81750	2.7
91.05480	33.1
93.07047	65.6
95.04967	31.3
95.08616	41.7
97.06526	11.7
97.10174	24.9
99.08099	40.7
105.07049	35.8
107.04955	6.0
107.08595	40.8
109.06542	11.0
109.10156	30.3
111.08102	6.3
117.07032	13.7
119.08584	23.1
121.06499	5.0
121.10158	24.0
123.04432	3.4
123.08118	3.3
123.11717	6.5
125.09634	23.7
129.07018	7.1
131.08565	8.8
132.47670	2.2
133.10126	24.8
134.61406	2.4
135.08057	9.5
135.11708	21.0
137.09639	4.2
137.13301	3.2
137.88750	2.6
139.07532	3.6
139.11169	4.6
143.08574	8.1
145.10123	12.1
147.04398	2.1
147.11700	18.5
149.09637	2.9
149.13275	12.6
151.11188	30.1
153.09122	5.6
157.10147	9.0
159.11719	4.0
161.09639	2.4
161.13283	19.1
163.11147	14.0
163.14883	5.7
165.09206	2.7
165.12802	6.5
169.10138	2.2
171.11691	8.5
173.13194	3.2
175.11188	3.6
175.14857	5.0
177.12784	4.4
179.14282	13.3
181.12321	3.5
185.13303	12.2
187.14880	3.8
189.12810	4.1
193.12251	3.4
193.15895	6.1
199.14870	2.9
203.12813	14.1
207.13896	3.5
221.15381	4.0
227.12802	3.7
231.13885	3.7
231.21120	5.2
241.19489	14.2
249.22153	4.3
259.20721	13.2
273.18481	3.6
277.21643	100.0
291.19620	16.2
291.22745	4.2
309.24393	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.4
55.05515	43.5
57.07075	10.3
59.04989	5.5
67.05509	89.3
69.03431	4.7
69.07065	40.5
69.80065	23.7
71.04999	8.7
71.08627	8.2
73.18958	3.8
79.05496	62.6
81.07063	100.0
83.04981	12.6
83.08619	23.6
91.05506	47.3
93.07050	71.9
95.04985	26.4
95.08614	68.7
97.00558	4.2
97.06526	19.9
97.10172	10.0
105.06396	5.0
105.07049	53.1
107.04974	7.9
107.08618	37.5
109.06545	18.3
109.10178	31.7
111.08087	7.7
117.07047	12.5
119.08591	34.0
121.06522	6.7
121.10152	25.1
123.04499	5.4
123.08112	5.7
123.11712	8.9
125.09629	6.7
128.63487	5.1
129.07036	9.3
130.49527	4.1
131.08549	12.6
133.10124	24.1
135.11714	25.5
137.09689	4.6
137.13193	5.7
143.08609	10.5
145.10153	14.3
147.08078	5.3
147.11716	23.0
149.13272	16.2
150.29720	4.2
151.11235	12.0
153.12752	6.0
157.10129	9.4
159.11713	5.8
161.13254	16.3
165.12712	6.2
171.11720	15.8
175.14839	13.2
179.14299	6.1
185.13307	7.3
189.12769	5.6
197.13208	4.2
207.13742	4.9
213.16437	5.5
221.15338	5.4
231.13774	7.9
231.21115	15.1
241.19655	8.9
249.22281	6.9
259.20615	25.7
271.23801	4.8
277.21658	78.9
309.22110	20.0
309.25232	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	309.2423
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03939	3.6
55.01865	3.2
55.05513	18.4
57.03430	5.2
57.07058	4.3
65.03936	2.1
66.78053	1.3
67.05508	45.7
67.05870	2.3
69.03416	1.5
69.07073	17.0
70.17976	3.0
70.18368	3.9
71.04985	3.9
71.08635	60.0
79.05496	42.6
79.05958	2.3
81.03441	7.9
81.07059	54.3
82.77795	1.3
83.04977	10.1
83.08624	11.0
85.06538	3.8
91.05483	26.7
93.07047	65.7
95.04960	9.4
95.08615	34.2
97.06538	10.4
97.10155	5.7
99.08098	45.7
105.07028	17.2
107.04939	3.8
107.08601	32.6
109.06499	3.1
109.10159	13.5
111.08064	2.8
113.09666	3.6
117.07018	5.4
119.08586	15.5
121.10155	32.0
121.11016	1.9
123.11704	2.0
125.09670	2.0
129.07001	1.5
131.08536	6.1
133.10136	12.0
135.08080	1.5
135.11697	36.6
137.09579	4.9
139.07535	1.7
139.11197	1.9
141.09077	4.7
143.08554	2.4
145.10094	4.7
147.11690	7.0
149.13249	9.8
151.11192	21.6
153.12717	3.4
157.10100	2.7
159.11703	3.7
161.13284	11.9
162.81804	1.4
163.11182	7.2
163.14763	1.8
165.12712	2.6
167.10611	3.0
171.11696	2.3
173.13203	2.2
175.14885	3.0
177.12679	3.9
179.14319	100.0
185.13293	2.3
189.12744	3.1
195.13841	1.8
221.15343	2.1
235.16954	3.1
256.53271	1.5
259.20624	7.1
277.21631	48.0
309.24213	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	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61237	1.8
53.03948	16.9
55.01868	6.4
55.05514	31.4
57.03432	2.7
57.07071	5.3
65.03935	3.1
67.05505	60.6
69.03430	1.9
69.07068	39.0
69.26149	11.2
69.26583	6.6
71.04977	2.4
71.08634	6.9
73.06548	2.1
79.05065	2.3
79.05499	35.0
81.03423	67.2
81.07063	56.8
83.04990	14.1
83.08629	10.3
84.87727	1.9
85.06520	4.0
85.10203	2.5
87.29372	1.6
91.05486	24.9
93.07052	41.3
95.04977	39.1
95.08607	24.4
97.06518	4.8
97.10195	12.8
99.08097	4.8
105.07031	19.8
107.04962	3.2
107.08601	23.3
109.06523	6.4
109.10168	18.8
111.08093	4.0
117.07007	2.0
119.08575	15.1
121.10159	9.8
123.08081	4.1
123.11723	6.9
125.09633	15.9
129.06979	4.5
131.08583	8.9
133.10155	17.6
135.08070	6.0
135.11684	10.1
137.13278	3.0
139.11195	2.0
143.08630	3.3
145.10196	3.4
147.11700	19.9
149.13245	6.1
149.66193	1.7
151.11195	46.3
153.09085	9.3
153.12735	2.1
157.10168	2.5
161.13249	11.3
163.14885	6.2
165.12764	11.5
171.10236	3.5
171.11716	5.8
173.11687	1.7
173.13322	2.2
175.11197	3.6
175.14825	5.2
177.12689	2.6
179.14349	9.1
185.13297	3.6
189.12677	3.9
199.14938	3.2
203.12764	6.8
207.13840	5.7
217.19547	3.8
231.21080	11.9
241.19560	5.7
249.22177	6.3
255.62408	1.8
259.20520	10.7
277.21649	100.0
309.24545	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2213
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03946	6.3
55.01875	3.7
55.05516	24.4
57.03430	5.9
57.07070	7.2
65.03934	3.6
67.05511	43.2
69.07071	24.1
70.00575	9.8
70.00964	6.7
71.08643	6.4
79.05492	31.9
81.03423	7.9
81.07065	44.2
83.05006	4.5
83.08619	12.6
91.05485	49.2
93.07053	63.3
95.04983	46.4
95.08605	40.4
97.06557	15.5
97.10184	8.5
99.08083	4.9
103.05486	4.9
105.07033	73.0
107.04942	4.1
107.08604	38.9
109.06536	11.5
109.10149	21.9
117.07028	14.4
119.08586	59.2
121.06505	11.5
121.10146	76.6
123.08103	9.9
123.11712	9.5
125.09650	7.3
128.06241	7.8
129.07005	13.9
130.07829	5.7
131.08580	32.2
133.10147	38.4
135.08069	5.0
135.11699	18.1
141.06970	7.4
142.07773	16.0
143.08582	29.4
144.09375	6.3
145.06505	5.0
145.10143	37.8
146.10539	3.1
147.08041	5.3
147.11708	15.1
149.13252	6.1
151.11205	6.9
155.08574	12.4
156.09387	10.3
157.10150	29.0
158.10892	5.2
159.11714	36.5
161.09593	3.8
161.13327	9.9
163.14813	3.5
167.08586	5.3
169.10123	14.4
170.10863	6.8
171.11687	15.0
173.13266	20.2
175.14880	9.6
179.08557	3.3
180.09418	4.9
181.10121	8.8
182.10928	6.8
183.11726	15.3
185.13248	9.8
187.11180	6.6
187.14734	15.3
193.10262	4.5
194.10899	5.4
195.11728	8.9
197.13297	12.9
199.14847	12.6
203.12808	4.2
206.11034	3.5
207.11752	4.1
208.12570	3.2
209.13274	8.3
210.14101	3.3
211.14871	9.8
213.16420	4.1
220.12509	5.3
221.13184	4.2
223.14867	6.3
225.16385	8.1
235.14766	7.7
239.14368	5.2
239.17973	5.6
253.15881	9.3
253.19159	2.9
267.17368	5.0
277.21591	18.1
281.22675	6.1
291.20981	8.9
309.18527	5.8
309.22098	100.0
310.22379	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	309.2059
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01867	5.0
55.05502	7.4
57.03439	42.7
67.05511	29.4
69.03433	3.1
69.07076	3.0
69.92296	11.1
71.04978	2.9
79.05514	16.7
81.07072	17.4
83.08628	3.4
83.56267	3.4
85.06546	31.3
91.05477	19.3
93.06524	3.3
93.07056	10.1
95.04978	39.4
95.08606	9.5
102.71840	2.7
105.07040	9.6
107.04956	5.4
107.08609	9.2
109.06520	46.4
109.10160	3.3
111.04457	3.5
113.06011	100.0
117.07053	6.9
119.08586	9.0
121.10210	5.2
131.08569	9.3
133.10161	5.2
135.08055	31.9
139.38867	2.7
143.08577	5.1
145.10152	9.1
147.07974	3.5
149.09634	5.6
157.10162	3.3
159.11688	4.9
161.09659	6.9
177.12654	3.3
217.15863	14.0
245.18491	3.1
255.17502	4.6
273.18518	18.7
288.53677	3.8
291.19562	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03955	4.5
55.01883	12.8
55.05262	4.1
55.05512	50.2
57.03436	4.7
61.33043	2.4
67.05506	40.0
69.03410	5.0
69.07076	18.8
69.66951	8.4
69.67363	6.2
71.04993	4.1
72.39764	2.2
76.16545	2.2
79.05498	33.9
81.03416	7.7
81.07063	58.8
83.05000	15.0
83.08620	25.0
85.02917	2.7
85.06576	2.4
90.79480	2.5
91.05493	19.6
91.37330	2.1
93.07053	24.4
95.04958	13.1
95.08617	20.2
97.06528	6.1
97.10179	39.1
105.07037	22.7
105.87199	2.3
107.04961	6.9
107.08602	29.4
109.06503	5.7
109.10169	22.1
111.04469	5.0
111.08077	3.4
117.07021	8.1
119.08568	15.9
121.06531	4.6
121.10161	11.7
121.60017	2.7
123.04472	3.3
123.08067	24.5
125.09635	29.4
129.07051	4.0
131.08543	12.6
133.06439	6.2
133.10149	23.7
135.08064	7.3
135.11691	4.5
141.30296	2.4
143.08557	5.1
145.10127	8.6
147.08057	10.5
147.11713	5.1
149.09627	6.7
151.11189	11.2
153.09100	2.8
157.10114	4.1
161.09581	2.6
163.11150	2.6
165.09213	5.0
169.12292	3.2
171.10164	3.4
171.11647	4.2
175.11220	5.6
189.11249	22.6
193.12236	3.9
208.28499	2.4
211.13361	6.3
223.13225	3.5
227.17815	2.8
245.19070	7.4
255.17374	3.7
263.20059	4.6
273.18469	27.0
291.19550	100.0
292.20056	2.9
309.20615	23.6
309.24124	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03945	4.4
55.01877	19.1
55.05508	29.3
57.07086	4.1
67.05508	70.6
69.03435	5.2
69.07067	21.2
71.04995	6.4
71.44711	6.6
71.45064	5.6
79.05492	48.1
79.81456	3.4
81.07065	85.3
83.04965	10.8
83.05483	3.0
83.08614	12.4
85.06547	6.1
91.05489	40.3
91.06021	5.6
93.07055	49.7
95.04968	16.3
95.08611	33.5
97.06515	3.6
99.04453	5.6
105.07029	47.5
107.04961	12.7
107.08597	42.4
109.02866	3.3
109.06493	11.6
109.10173	63.3
111.04456	6.1
111.08069	13.0
113.06025	3.7
116.00506	3.1
117.07021	12.1
118.34180	4.2
119.04949	3.3
119.08598	17.6
121.06492	12.4
121.10142	14.5
123.04427	5.1
123.08072	8.9
123.11736	7.6
125.09592	4.7
128.06213	4.6
129.06984	8.2
131.08594	18.5
133.06503	10.6
133.10130	67.1
135.08023	9.6
135.11687	13.7
137.09636	4.3
137.24783	3.4
139.07564	9.4
143.08595	8.5
145.10114	13.1
147.08073	15.0
147.11703	10.9
149.09628	8.0
151.11185	34.2
152.82147	3.8
157.10165	7.0
159.11707	8.5
161.09634	13.8
161.13263	5.3
163.11208	4.7
169.12198	6.4
171.11693	8.6
175.11211	9.5
179.14330	4.6
181.08679	7.1
190.46454	3.6
203.14310	6.3
215.12802	4.0
217.12228	5.2
227.17950	3.9
245.19044	12.1
255.17337	4.8
263.20126	22.5
273.18460	49.0
291.19556	100.0
309.20615	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.47089	1.4
53.03944	11.7
55.01875	10.6
55.05516	34.0
56.77003	1.9
57.03440	10.4
57.07080	2.1
64.51334	1.4
65.03935	3.3
67.05508	37.4
69.03423	7.6
69.07066	20.1
69.28846	14.3
71.04980	8.1
79.05496	46.5
81.03419	26.6
81.07063	100.0
83.04993	15.6
83.08620	18.8
85.02888	2.1
85.06537	3.7
91.05486	24.9
93.07050	29.0
95.04979	15.5
95.08620	27.5
97.06544	12.6
97.10165	26.1
99.04463	1.6
99.08093	5.2
105.06397	1.6
105.07041	20.8
107.04964	10.7
107.08600	24.2
109.06526	37.6
109.10157	9.7
111.04469	8.9
111.08073	8.1
112.41876	1.5
113.06003	4.1
116.30781	1.5
117.07029	10.8
119.04951	2.8
119.08599	19.0
121.06503	7.2
121.10143	11.7
123.04424	2.3
123.08062	23.7
125.09639	24.0
127.07511	1.8
129.07021	4.2
131.08571	15.1
133.10135	7.2
135.08072	15.4
135.11674	10.0
137.09627	7.8
139.11249	2.8
143.08569	4.6
145.06451	2.6
145.10104	10.5
145.83415	1.8
147.04344	1.7
147.08049	6.9
147.11693	7.1
149.09621	4.5
149.13303	2.5
153.09126	4.3
153.12685	2.5
157.10130	3.7
159.11693	4.6
161.09648	5.3
161.84679	1.5
163.11191	15.0
165.09102	8.4
169.10126	2.0
171.10202	1.9
171.11670	2.9
175.11206	4.9
177.12802	3.9
181.12262	4.6
185.13181	2.0
187.11165	4.3
189.11188	15.8
191.10695	5.3
193.12172	9.1
195.13899	2.2
211.13322	4.1
217.15907	7.4
219.13879	2.1
223.13350	5.1
227.12802	3.5
227.18123	2.4
234.87987	1.8
245.19070	2.6
255.17505	3.4
263.20044	3.2
273.18494	24.9
291.19556	74.0
309.20599	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03926	1.9
55.01867	4.1
55.05515	27.8
67.05508	12.5
69.03436	2.7
69.07082	9.0
70.07163	2.5
70.07565	4.4
75.18426	1.8
79.05492	11.2
81.03438	2.8
81.07062	20.0
83.04972	4.8
83.08620	11.8
91.05490	11.0
93.07061	10.1
93.53564	1.8
95.04963	5.5
95.08600	7.8
97.06551	2.2
97.10173	19.8
105.07031	7.3
107.08575	8.0
109.10191	4.5
111.04479	2.1
117.07046	3.7
119.08571	8.1
121.06515	3.7
121.10193	2.7
123.08051	7.8
125.09647	15.5
129.06998	1.9
131.08598	4.8
133.06482	3.7
133.10120	3.2
135.08080	2.9
137.09708	3.1
143.08562	2.0
145.10115	3.8
145.43382	1.7
147.08067	4.0
147.11676	2.9
153.09116	2.5
153.79457	2.0
157.10211	2.5
161.09589	3.1
165.09119	3.8
171.10129	2.3
175.11206	2.5
189.11214	11.1
231.23335	1.8
255.17551	2.6
263.19742	2.2
273.18478	12.6
291.19562	100.0
309.20581	6.2
315.00342	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.62962	1.7
52.52136	1.7
53.03943	4.6
55.01876	19.4
55.05274	2.5
55.05513	29.8
57.03423	3.6
57.07053	2.0
61.55256	2.1
65.03922	3.8
67.05506	65.9
69.03389	3.6
69.07071	26.0
69.44275	14.7
71.04974	8.0
75.18353	1.8
79.05501	42.5
81.06586	4.5
81.07058	82.4
83.01363	2.8
83.04980	16.9
83.08624	9.8
85.06532	5.7
91.05484	46.6
93.07049	45.3
95.04973	12.6
95.08607	25.8
96.23972	1.8
97.02848	2.2
97.06506	6.3
97.10148	4.7
99.04464	5.4
105.07031	52.7
107.04939	8.6
107.08597	45.9
109.06523	12.1
109.10155	78.2
111.04443	4.7
111.08068	8.7
113.06026	4.5
117.07029	4.6
119.08587	18.3
121.06503	10.9
121.10129	10.2
123.04460	2.6
123.08059	4.5
123.11730	12.0
125.05936	1.8
125.09610	4.5
127.07526	3.8
128.06210	3.8
129.06998	5.0
131.08583	11.8
133.06450	5.8
133.10133	100.0
135.08026	8.4
135.11693	8.0
137.05965	3.2
137.09602	4.7
139.07530	6.1
143.08534	7.5
145.06500	2.8
145.10072	8.9
147.08067	10.7
147.11662	5.8
149.09610	6.0
149.13162	2.5
151.11188	60.2
153.10341	1.9
157.10120	3.3
159.08070	2.5
159.11679	4.2
161.09581	9.6
161.13246	5.0
162.66039	1.7
163.11133	6.0
167.10745	2.3
169.12286	14.5
171.11656	5.3
175.11195	3.0
177.09087	3.9
179.10675	3.4
181.08594	4.3
181.12180	3.0
189.12741	2.3
195.09987	2.4
199.11134	4.3
203.14313	2.1
215.12741	8.5
217.12155	2.7
227.17935	4.1
245.19011	16.7
255.17418	4.8
263.20016	13.6
273.18466	35.9
291.19537	64.0
297.01398	2.1
309.20630	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	309.2061
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03951	18.3
55.01868	10.2
55.05516	21.3
57.03440	36.5
57.07100	3.1
67.05507	67.1
69.03427	9.7
69.07075	26.6
71.02046	7.4
71.05013	17.2
71.21261	3.2
74.59173	2.9
77.14149	2.9
79.05496	64.5
79.34207	3.4
80.54362	3.0
81.03420	44.7
81.07062	100.0
83.04972	13.2
83.08616	13.1
85.06531	13.0
85.35802	3.3
91.05479	60.7
93.07040	66.5
95.04967	29.3
95.08614	54.6
97.06525	50.7
97.10184	4.3
99.08084	29.6
105.07045	36.2
105.24381	3.4
106.79408	3.6
107.04951	24.4
107.08598	40.2
109.06509	44.6
109.10171	20.5
111.08088	7.6
115.05428	5.5
117.07019	24.2
119.04954	4.1
119.08598	28.8
119.38165	3.4
121.06523	14.0
121.10139	25.1
122.57313	3.3
123.08046	17.0
126.78119	3.5
127.07572	9.3
129.06996	8.1
131.08545	34.3
133.10123	31.4
135.08044	25.7
135.11684	15.2
137.09592	5.3
141.07001	7.0
143.08589	6.3
145.06499	11.4
145.10138	19.5
147.08070	4.8
147.11687	9.9
149.09651	8.8
149.13239	9.1
151.11182	7.9
157.10153	14.3
159.08015	4.5
159.11668	16.0
161.09602	8.0
161.13249	4.5
163.11180	3.9
169.10126	8.7
171.11684	6.9
173.13289	7.3
175.11249	7.1
177.12733	7.5
187.11205	11.7
189.16466	5.2
195.13809	7.1
199.14832	3.3
201.12846	3.7
205.12119	3.9
207.71907	3.2
213.12862	3.2
217.12346	3.8
217.15906	19.1
219.13820	10.4
221.15425	6.1
223.13188	7.1
231.13861	4.5
233.15344	5.6
235.16808	3.8
241.14291	6.5
245.19112	7.2
251.16393	5.3
255.17570	5.3
263.20105	5.4
273.18494	32.2
291.19537	78.1
292.19821	5.0
308.70660	3.8
309.20584	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	10.1
55.01893	18.8
55.05516	70.8
57.03433	12.2
57.44487	2.4
59.04998	4.9
59.96838	2.6
67.05170	4.6
67.05511	61.5
67.97748	2.7
69.03441	16.5
69.07073	30.3
70.84195	7.5
71.04989	10.9
72.08118	4.2
79.05502	59.7
79.99744	3.3
81.03425	20.2
81.07064	100.0
81.70258	2.8
82.41696	2.8
82.99516	2.6
83.04982	18.8
83.08623	34.5
85.02915	16.7
85.06541	8.0
91.05491	40.3
93.07052	63.5
95.04981	39.0
95.08614	54.0
97.02885	3.8
97.06555	18.9
97.10179	47.5
98.20617	2.5
99.08096	5.6
104.38405	2.9
105.07035	27.8
107.04971	9.4
107.08594	32.0
109.02940	3.6
109.06533	16.9
109.10165	20.3
111.04446	12.2
111.08071	10.1
113.06011	6.7
117.07027	16.4
119.04963	4.9
119.08573	25.6
119.37548	2.8
121.06525	5.3
121.10149	26.7
123.04462	3.1
123.08085	78.4
123.11689	14.6
124.08601	3.1
125.09636	41.8
129.07039	8.3
131.08589	13.8
133.06555	3.3
133.10107	17.6
135.08090	10.2
135.11690	7.1
137.09599	13.5
139.11221	4.3
143.08569	5.9
143.10587	3.0
145.10159	16.1
147.04453	8.7
147.08046	8.3
147.11668	9.5
149.09633	5.3
151.11136	3.0
153.09190	3.3
153.12711	3.1
157.10162	6.3
159.11668	6.6
161.09666	9.9
163.11250	13.5
165.09166	9.8
169.10161	4.2
169.12250	8.5
171.11679	4.6
173.13303	3.6
175.11215	5.3
175.14822	2.8
177.05591	4.4
177.12804	4.2
179.14314	3.2
179.18080	2.8
187.11215	2.8
187.13275	7.2
189.11246	30.7
189.12776	5.8
191.10666	4.6
193.12306	8.3
211.13313	6.9
217.15909	6.3
222.70331	2.8
223.04408	2.8
223.13275	5.0
233.15353	3.6
235.16875	3.6
255.17412	4.7
263.20035	4.7
273.18509	42.9
291.19565	66.0
294.35349	3.1
309.20651	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.05521	0.8
57.03424	1.6
61.02919	0.9
65.03935	2.3
67.05514	5.5
69.03433	5.5
69.07066	3.1
69.59419	2.6
69.59853	3.1
70.06598	2.8
72.08150	3.1
76.74408	0.7
79.05455	1.9
81.03419	8.2
81.07057	1.3
82.06573	5.3
84.04508	1.6
84.08133	1.9
85.02905	3.5
85.06556	1.0
86.09687	1.3
91.05491	13.6
93.03388	2.6
93.07064	1.7
95.04972	5.9
96.04507	11.4
97.02889	2.5
97.06553	1.1
98.06068	1.6
98.21487	1.2
105.03378	1.0
105.04510	0.8
107.04946	1.3
107.08594	0.8
108.08108	1.7
109.02869	2.2
109.06542	1.6
110.06052	37.2
111.04466	1.6
115.05450	0.9
117.07064	0.9
119.04958	24.1
119.08620	0.8
120.08130	1.6
121.02864	1.3
121.06540	0.9
122.06052	1.0
123.04395	1.1
124.07604	6.0
126.05530	1.8
127.03924	2.0
129.07047	0.9
131.04930	1.6
132.08023	0.9
135.04453	1.8
136.07591	64.8
137.06000	2.7
138.05515	25.4
138.09151	0.9
139.03922	1.4
140.07047	2.1
141.05432	1.2
143.04909	0.9
144.74957	0.8
145.10178	0.8
147.04424	100.0
148.04753	1.4
149.06024	2.6
150.09103	1.0
152.07059	5.9
154.08640	93.5
155.09053	0.9
156.06567	16.6
160.07600	1.6
161.05998	1.5
163.03992	1.1
165.05484	2.9
173.09715	1.2
174.09253	1.2
177.05464	7.2
179.11597	1.0
186.09174	1.9
190.08746	0.9
191.07053	1.1
200.10745	2.5
201.40753	0.9
202.08514	0.9
203.07047	1.0
207.06552	2.5
208.02890	5.3
215.08195	1.3
217.13429	0.8
218.08163	1.6
218.11755	1.6
228.10243	1.8
231.06668	1.0
231.11433	1.5
231.13757	1.2
245.12914	1.9
246.11220	4.3
248.09154	1.4
249.09587	1.0
249.12280	1.6
255.11186	1.1
256.09836	1.4
262.02325	1.0
263.14752	1.3
266.05673	1.1
273.12384	3.1
274.10751	7.7
291.08640	4.0
291.13354	4.3
292.11780	12.3
309.10297	2.4
309.14481	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03942	2.4
54.89952	0.5
55.01870	1.0
55.05513	1.0
57.03428	0.8
61.02937	1.2
65.03947	1.9
67.04245	0.6
67.05505	7.2
68.05020	1.3
69.03435	4.0
69.07070	3.3
70.06591	2.2
71.54271	0.9
72.08149	2.9
72.47868	0.5
74.06088	0.7
76.02214	0.8
76.76086	0.5
79.05483	1.0
80.05029	1.0
81.03426	9.0
81.03866	1.0
81.07051	2.1
82.06589	6.1
83.04982	1.4
84.08141	1.4
85.02910	3.1
85.06532	1.0
86.06027	0.6
86.09705	1.7
91.05482	11.4
93.03407	3.4
93.05785	0.7
93.07042	1.7
95.04969	5.4
95.08609	0.8
96.04496	13.1
96.08128	0.6
97.02905	3.2
97.06528	1.5
98.06053	0.6
99.04435	1.1
103.05420	0.7
105.03410	1.6
105.04543	0.5
105.07059	0.7
107.04958	1.7
107.08592	0.6
108.04491	0.7
108.08105	2.0
109.02875	2.8
109.06493	1.7
110.06052	39.2
111.04448	1.9
112.07632	0.7
113.05958	0.7
115.24550	0.6
117.03397	0.7
117.07018	0.8
119.04953	20.3
119.08572	0.8
120.04487	0.6
120.08106	1.2
121.02874	1.5
122.06025	1.3
123.04430	1.8
124.07604	6.1
125.06051	0.5
125.08351	0.6
125.46389	0.5
126.05540	2.6
127.03938	1.0
128.07085	1.2
129.06967	0.7
129.10262	1.0
131.04883	0.6
131.35049	0.5
132.08084	0.6
133.06476	0.9
134.06032	0.9
135.04364	0.6
135.07986	0.7
136.07587	74.6
137.05980	4.6
137.07948	0.9
138.05511	26.8
138.09058	0.6
139.03908	1.2
140.07109	1.8
141.05406	0.6
143.04985	0.9
143.08545	0.9
143.20959	0.5
145.02888	0.5
145.06560	0.6
145.10208	1.1
146.06029	1.1
147.04419	80.9
147.11633	0.9
148.04811	0.7
148.07530	0.6
149.06010	2.4
150.05525	0.9
150.09128	0.6
152.07079	5.0
154.08640	100.0
155.07092	0.8
155.08899	1.0
156.06577	18.4
157.10138	0.7
160.05276	0.6
160.07599	1.0
161.06001	1.1
163.03932	1.3
165.02281	1.3
165.05438	2.2
166.08684	0.8
172.11223	0.8
174.09146	1.0
175.03955	1.1
175.07526	1.5
177.05481	8.3
178.08678	1.1
179.07047	0.6
182.04977	1.6
185.13280	0.8
186.09149	1.7
187.07562	1.1
188.07071	0.7
188.09396	0.9
189.05479	0.8
190.08615	1.3
190.12308	0.7
191.07066	1.1
200.10754	1.8
201.09064	0.9
202.08713	1.0
203.07005	1.5
207.06520	2.6
208.02898	10.0
210.09210	0.5
214.08646	1.0
216.10121	0.6
217.13319	0.9
218.08081	1.9
218.11765	1.9
219.06462	0.8
221.06033	0.6
221.08066	0.5
227.08336	0.7
227.11795	0.6
228.10178	1.7
229.08511	0.9
230.08252	0.7
231.06535	1.2
231.11427	1.1
231.13799	1.2
232.10437	0.8
235.07584	0.6
237.09320	0.7
242.10449	0.8
245.12851	2.1
246.11264	4.7
247.09616	1.4
248.09154	0.7
249.07527	0.7
249.12366	1.0
255.11276	1.1
256.09708	1.2
263.06818	0.8
263.14313	1.6
265.05054	1.1
273.12347	3.7
274.10730	7.1
291.08737	2.7
291.13342	4.6
292.08624	1.1
292.11789	13.8
309.07642	3.8
309.10895	1.6
309.14450	50.4
328.17432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60629	1.4
53.03940	3.4
55.01865	4.2
55.05512	14.1
57.03438	16.2
57.07075	2.4
59.04994	5.3
60.70584	1.5
61.02906	2.2
64.64472	1.4
67.05508	32.2
68.06844	1.4
69.03422	6.3
69.07079	15.1
71.05000	25.4
71.55554	2.2
72.08118	1.9
73.02921	5.1
75.04487	14.1
79.05068	2.2
79.05497	31.3
81.03410	6.6
81.07065	42.1
83.04972	10.1
83.08629	8.5
85.02911	100.0
85.06531	2.4
87.04448	2.8
91.05480	35.0
93.07053	30.5
95.04975	8.2
95.08604	22.7
96.08977	1.9
97.02899	4.4
97.06533	7.9
97.10167	6.9
99.04443	2.8
99.08080	3.1
101.06013	1.7
105.07040	17.8
107.04962	3.1
107.08595	21.5
108.09012	1.6
109.02873	1.7
109.06499	6.3
109.10171	9.4
111.04443	5.1
111.08094	5.6
111.11729	1.7
117.07042	13.2
119.04970	2.8
119.08578	21.3
121.10159	20.0
123.04446	2.7
123.08030	5.4
123.11684	3.1
125.09647	2.9
127.03934	2.4
129.05499	15.8
129.07007	6.5
131.08578	14.8
133.10133	14.6
135.08058	4.7
135.11667	6.9
137.06003	2.2
137.09618	5.5
139.11174	1.9
143.08568	6.9
145.04878	2.5
145.10124	5.0
147.04390	4.4
147.06534	9.6
147.08023	2.5
147.11693	6.3
149.09618	4.2
149.13293	2.6
151.11163	1.9
153.09137	1.9
157.10124	7.2
159.11728	3.6
159.21449	1.5
161.09671	3.6
161.13286	3.4
163.03961	1.9
163.11267	2.5
163.15005	1.6
165.09145	1.8
165.36815	1.8
169.10210	2.1
169.12195	2.4
171.06517	2.0
171.11780	3.8
173.13321	1.9
175.11169	2.5
175.14833	2.2
177.05507	1.8
177.18381	1.6
185.13249	3.6
189.12695	2.1
189.16403	3.1
193.12305	1.9
199.14818	6.9
217.15892	7.1
227.18036	2.2
231.13776	6.7
235.12999	1.7
235.16959	3.6
236.18954	1.7
241.19249	1.8
245.19214	1.7
273.18484	5.7
277.21042	3.3
291.19482	9.9
293.20654	1.7
309.17322	3.0
309.20645	17.3
309.24026	3.5
309.26083	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01876	0.6
57.03429	1.1
61.02924	0.5
65.03941	1.2
67.05505	0.4
69.03433	4.8
70.60626	0.9
71.04996	0.5
72.08147	0.6
73.02903	0.4
73.32182	0.2
76.77090	0.2
79.05495	0.5
81.03419	8.8
81.07034	0.5
84.04474	0.3
85.02914	4.2
91.05479	9.8
93.07059	0.5
95.04964	1.0
97.02884	1.1
97.06534	1.1
98.06853	0.5
99.04449	1.0
105.07014	0.6
107.08629	0.4
109.02886	4.0
119.04948	24.3
119.08579	0.6
123.04426	0.7
127.03912	1.9
134.20697	0.3
137.02344	0.3
141.08072	0.3
145.10098	0.3
147.04413	100.0
148.04752	0.8
157.10136	0.5
159.11667	0.3
163.03894	0.3
163.11221	0.6
165.05472	3.5
172.61555	0.3
177.05453	0.4
189.12823	0.3
218.83681	0.3
219.09160	0.6
232.10509	0.8
235.13290	0.4
245.07242	0.3
249.07422	0.3
263.08209	0.5
263.14764	0.9
277.08652	0.4
281.11597	0.4
291.08627	7.9
309.08905	2.7
309.15265	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87897	0.2
51.02385	0.3
53.03944	0.8
55.01871	0.5
55.05500	0.4
57.03437	0.5
61.02930	0.4
65.03938	1.0
67.05496	0.6
69.03083	0.3
69.03436	3.7
70.06595	0.7
70.28851	0.2
70.69559	0.2
70.69875	0.6
71.01385	0.3
71.04993	0.4
72.08154	0.7
73.02921	0.4
74.06073	0.7
76.02219	0.5
79.05498	0.4
81.03426	6.7
81.07072	0.2
83.04996	0.3
84.04495	0.9
84.08173	0.3
85.02911	4.1
86.09718	0.3
91.05485	11.8
92.05795	0.3
93.07056	0.6
95.04970	1.2
97.02906	1.6
97.06546	0.6
99.04451	0.7
105.07026	0.5
107.08589	0.5
109.02884	2.5
114.10347	0.3
119.04951	27.5
119.08546	0.4
120.05273	0.3
120.08108	1.6
121.10143	0.3
123.04427	1.1
124.07594	0.6
127.03944	1.1
131.08546	0.3
145.02873	0.6
145.10150	0.2
147.04417	100.0
148.04773	0.8
149.05962	0.3
163.11165	0.3
165.05467	2.7
166.08617	0.7
177.05495	0.9
179.04846	0.4
208.02898	0.8
231.13823	0.5
232.10579	0.4
235.13205	0.5
251.07057	0.2
263.14481	0.3
291.08624	4.9
291.13412	0.4
309.09918	1.0
309.14886	0.8
309.18082	0.6
309.21484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03931	1.0
55.01864	0.3
55.05500	0.2
57.03426	1.0
61.02931	0.5
65.03934	0.9
67.05506	0.4
69.03432	4.5
69.07074	0.3
69.67836	1.1
69.68245	0.5
70.06586	0.4
71.01347	0.2
71.04980	0.7
72.08155	0.7
73.02918	0.4
77.99098	0.2
79.05508	0.5
81.03422	11.4
81.07054	0.4
83.04996	0.4
84.04494	0.4
84.08156	0.4
85.02918	3.8
86.09705	0.3
91.05483	9.2
93.07034	0.5
95.04972	0.9
95.08574	0.2
95.90150	0.2
97.02344	0.2
97.02865	1.0
97.06528	1.5
98.06867	0.7
99.04441	1.4
105.03410	0.2
105.07052	0.3
107.04941	0.3
107.08614	0.4
109.02882	4.4
109.06515	0.2
119.04949	25.3
121.10195	0.3
123.04446	0.9
124.07618	0.4
127.03942	1.2
136.07620	0.2
137.05975	0.3
143.08624	0.2
145.06485	0.3
145.10043	0.3
147.04416	100.0
148.04756	1.0
152.08815	0.2
163.11160	0.3
165.05473	3.2
173.05963	0.3
177.05469	0.5
219.36917	0.2
231.13742	0.4
232.10594	0.8
235.13310	0.3
236.09949	0.2
263.14813	1.1
273.12424	0.3
278.11115	0.3
290.08344	0.2
291.08636	8.7
291.13446	0.4
309.09778	1.4
309.14474	1.1
309.18152	0.4
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	4-Hydroxydendroxine
Peak:m/z	Relative Intensity
53.03944	1.3
55.01883	1.3
55.05517	6.4
56.05030	1.2
58.99575	1.6
65.03957	0.8
67.05508	7.2
68.05016	2.4
69.03413	2.1
69.07072	7.7
70.06594	13.3
71.05000	1.1
71.54790	1.1
72.08170	2.9
76.02232	10.6
79.05498	8.0
80.05014	0.8
81.03420	3.0
81.07056	6.7
82.06560	2.1
83.04980	0.8
83.08626	3.4
84.04513	5.8
84.08147	1.5
85.06523	0.9
86.09701	1.7
88.03978	1.7
91.05477	6.1
93.03414	0.9
93.05750	1.1
93.07037	4.3
94.06558	2.1
95.04975	3.0
95.08624	3.4
96.04560	0.6
97.02859	1.4
97.06536	10.8
98.06095	0.7
100.07632	3.3
100.11264	11.8
105.07047	3.0
106.06577	3.5
106.07220	0.6
107.04968	2.9
107.07330	1.0
107.08605	3.2
108.04527	0.6
108.08129	4.7
108.08825	1.0
108.80947	0.6
109.02892	1.2
109.06514	1.0
109.10138	1.6
110.06036	0.7
111.04465	4.7
114.05523	4.3
116.01678	1.3
116.07095	1.3
116.10713	0.8
117.07018	2.0
118.06546	1.3
119.04935	2.6
119.07323	0.9
119.08594	3.1
120.08121	6.0
121.10115	0.8
122.06004	1.0
122.09672	1.3
123.04442	0.9
124.07630	0.7
127.08648	0.9
128.07056	2.3
130.04988	2.1
131.08586	1.4
132.08107	0.8
133.08841	0.6
133.10081	1.8
134.09654	8.3
134.10547	0.9
135.04425	5.2
135.08051	0.8
135.10440	1.5
135.11758	0.6
136.06122	0.9
136.07593	3.9
137.05948	0.7
138.05479	0.5
139.03908	13.3
139.08591	0.8
144.01160	1.5
145.02774	0.8
146.09657	1.4
147.04414	8.8
147.11729	1.5
148.07556	1.2
148.11220	11.7
152.05678	2.5
152.07048	1.9
154.08652	1.1
157.10173	0.9
159.11629	0.8
161.05989	1.2
162.02219	4.0
162.05469	1.0
163.03911	2.8
164.07076	11.1
165.07901	5.0
166.08638	2.5
175.11176	0.7
178.08650	4.0
179.04807	4.0
179.09425	0.8
180.10220	16.2
181.04977	4.2
182.08240	0.8
182.15422	1.0
187.14771	0.7
193.10922	0.9
194.08153	2.0
194.11864	1.1
209.16458	2.3
213.09148	0.7
217.08505	0.6
226.19064	1.1
231.10208	4.2
233.05936	2.2
234.15083	0.6
235.13260	1.0
244.16939	2.0
246.18852	0.6
259.09650	5.3
259.12064	0.8
262.14371	12.9
262.17993	7.6
277.10785	3.9
288.15878	1.1
290.14166	1.2
290.17520	13.4
291.08713	0.7
308.14951	13.6
308.18533	100.0
308.23203	10.0
308.26862	9.1
309.18896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
54.44745	2.1
55.01876	25.9
55.05260	4.4
55.05515	57.6
57.03443	20.7
57.07058	3.1
59.48484	1.9
65.03950	4.9
67.05173	4.7
67.05509	72.5
69.03442	7.6
69.07069	33.5
70.61664	7.7
71.04989	9.9
79.05498	67.0
81.03422	16.1
81.07061	82.5
83.04984	35.3
83.08627	25.6
85.06548	7.6
87.63168	2.2
91.04959	4.5
91.05491	52.4
93.07050	70.7
95.01332	2.7
95.04975	38.4
95.08611	44.3
96.03946	2.3
97.06524	29.2
97.10185	23.5
99.04461	4.6
103.05492	3.2
105.04571	2.8
105.07035	49.6
107.04960	43.5
107.08602	61.0
107.09304	5.1
109.06535	34.5
109.10172	22.0
111.04430	15.4
111.08104	11.5
113.06036	3.8
117.07040	23.2
119.05006	3.2
119.08582	38.9
121.02870	3.9
121.06503	31.3
121.10120	25.2
123.04440	3.8
123.08083	19.0
123.11722	7.0
125.05983	2.9
125.09653	30.7
128.06224	3.3
129.07019	8.9
131.08569	30.1
133.06473	7.2
133.10138	29.3
135.08049	23.0
135.11710	13.7
137.05972	3.2
137.09647	10.9
143.08553	5.3
145.06509	8.1
145.10141	27.8
147.08081	6.0
147.11745	13.5
149.09625	31.3
149.13246	10.9
151.07552	6.4
151.11189	11.0
153.09085	5.0
155.08563	6.6
157.10179	5.2
159.08070	11.0
159.11691	17.1
161.09717	4.6
161.13289	5.7
163.07544	28.6
163.11214	23.5
165.09109	8.6
165.12712	5.5
169.10172	4.9
171.11743	7.1
173.09567	5.8
173.13258	14.5
175.11211	7.5
177.09094	4.8
177.12781	11.3
183.11768	6.1
185.13261	3.0
187.11214	10.2
187.14870	2.8
191.14308	7.4
193.12201	4.1
195.13708	2.2
197.13222	4.2
201.12794	4.5
203.12817	10.5
205.12231	3.8
210.08177	2.7
215.14320	5.2
219.13812	20.5
229.19511	7.0
233.15430	10.5
237.14854	6.5
237.39154	2.4
239.17932	10.4
241.14297	5.9
243.17488	4.0
247.20683	7.8
253.15987	3.6
257.18930	15.2
261.18497	9.2
271.16922	10.8
275.20074	100.0
289.18039	75.1
289.21539	8.8
297.08160	2.4
307.15564	2.4
307.19025	36.4
307.22696	39.4
325.29370	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14330	2.6
53.03960	7.4
55.01879	29.5
55.05513	59.5
57.03429	11.3
65.03918	4.7
67.05170	4.8
67.05510	68.7
67.05875	3.7
69.03433	4.6
69.06759	3.0
69.07073	27.2
70.59473	5.6
70.59813	3.4
71.04987	7.9
73.08948	2.6
75.10207	2.5
75.47083	2.9
76.61803	3.0
79.05057	5.5
79.05499	75.2
81.03427	12.0
81.07061	93.5
83.04980	18.5
83.08624	30.7
84.84022	2.5
85.06589	5.3
87.01595	2.8
91.05486	49.7
93.07049	55.8
95.04975	31.8
95.08614	45.4
97.06537	26.8
97.10178	30.5
99.08122	3.5
100.26839	2.9
102.80035	2.8
105.07040	54.6
107.04957	35.3
107.08601	81.5
109.06517	27.2
109.10165	24.6
111.04421	8.1
111.08096	12.0
117.07035	21.6
119.08576	34.9
121.06547	15.3
121.10144	26.2
123.04411	3.4
123.08110	16.4
123.11681	5.5
125.09639	34.5
129.06998	6.0
131.08566	27.9
133.06456	4.3
133.10133	30.3
135.08060	20.9
135.11702	13.2
137.06006	3.5
137.09601	6.9
141.06985	4.9
143.08577	8.1
143.72780	2.6
145.06442	4.2
145.10126	26.5
147.08044	6.4
147.11694	15.2
149.09631	37.3
149.13268	8.5
151.07555	5.0
151.11169	10.0
153.09082	3.7
155.08565	3.9
157.10149	7.7
157.12242	2.8
159.08075	8.9
159.11725	19.3
159.12836	3.9
161.09663	5.2
161.13272	6.3
163.07561	17.5
163.11200	19.2
165.09163	4.4
165.12813	5.9
169.10112	5.5
171.11649	5.0
173.09596	4.3
173.13251	11.3
175.11189	4.5
177.09087	5.7
177.12723	8.6
183.11647	5.5
187.11237	9.0
187.14758	3.2
191.14325	3.8
197.13287	3.3
199.14786	2.9
201.12772	6.3
203.12787	13.8
205.12317	3.8
211.14970	3.3
213.16397	3.2
219.13792	10.7
229.19524	7.2
239.17972	11.3
241.14236	3.2
243.17198	3.4
245.22949	3.4
247.20631	10.9
257.18979	15.6
261.18588	8.1
271.17078	4.0
275.20071	100.0
289.18036	39.3
289.21622	9.1
307.15555	4.3
307.19052	19.8
307.22742	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	307.2633
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03938	3.9
55.01861	4.3
55.05519	26.7
57.03414	1.8
57.07084	10.7
59.04985	3.5
59.20164	1.2
65.03939	1.7
67.05510	46.4
69.03422	3.6
69.07075	47.4
69.31454	6.0
69.31878	6.3
70.02911	1.2
70.06593	1.9
71.05003	6.7
71.08624	5.9
71.09806	1.2
72.08144	2.2
76.02254	2.1
76.36385	1.2
79.05505	24.8
81.03420	4.1
81.07061	96.0
83.04997	10.8
83.08623	17.0
85.02888	3.4
85.06541	6.0
91.05489	18.6
93.06477	2.8
93.07050	43.7
95.04987	10.7
95.08614	100.0
97.06536	9.9
97.10175	8.7
98.97601	2.0
99.04473	1.5
99.08092	5.6
103.03931	2.2
105.07038	24.9
107.08601	42.4
109.06513	5.2
109.10163	63.0
111.08105	13.3
111.11749	6.5
113.09630	1.5
115.07558	2.2
117.07021	3.0
119.08586	20.0
121.06483	2.7
121.10152	31.5
123.08060	5.0
123.11723	25.5
125.09621	4.2
125.13276	2.7
127.03899	2.2
131.08556	5.4
133.10150	19.6
135.11697	27.0
137.09648	7.1
137.13281	13.6
139.11165	6.0
141.09010	1.7
143.08546	1.9
145.10118	8.4
147.11685	14.7
149.09619	1.6
149.13271	17.6
151.11214	4.6
151.14821	3.4
153.12749	3.2
155.10648	3.7
159.11714	5.1
161.13284	11.0
163.11127	2.3
163.14825	14.1
165.12778	4.6
165.16385	3.0
173.13261	4.9
175.14832	9.4
177.05402	1.5
177.16460	5.6
179.14322	3.9
187.14822	3.6
189.16344	6.7
191.08203	5.8
191.14299	1.6
191.17981	4.1
193.15912	1.3
201.16339	4.4
203.17944	3.1
215.17963	5.1
218.07430	1.4
219.08133	1.8
219.17329	1.5
233.19016	1.8
236.08430	2.5
245.22662	2.1
251.10811	2.0
263.23727	2.7
264.07806	1.7
271.24200	14.4
289.25223	17.2
292.07376	3.1
307.09705	8.0
307.12766	1.9
307.15808	1.9
307.26337	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03934	3.2
55.01868	3.1
55.05266	1.8
55.05516	19.4
57.03439	2.5
57.07077	9.6
59.05008	2.1
65.03925	2.3
67.05508	45.6
69.03428	2.9
69.07073	39.7
71.00618	3.5
71.04987	6.4
71.08631	5.4
72.08148	1.5
74.61259	1.5
79.05496	25.3
81.03418	2.9
81.07062	97.0
82.47014	1.4
83.04981	4.8
83.08629	17.2
85.02894	3.3
85.06545	3.9
85.10150	1.3
86.35778	1.3
91.05486	18.9
93.06476	2.5
93.07050	41.3
95.04970	7.2
95.08611	100.0
97.06546	7.5
97.10171	12.1
99.08068	3.5
100.03876	1.5
105.07034	25.3
107.08603	37.3
109.06519	5.3
109.10164	53.5
111.08105	9.9
111.11733	7.1
113.09681	1.5
115.07575	2.0
116.59133	1.7
117.06992	3.9
119.08592	18.6
121.06495	1.6
121.10143	32.7
123.08058	4.5
123.11710	23.4
125.09632	4.8
127.03912	2.9
131.08568	6.5
133.10141	17.4
135.08078	2.2
135.11700	24.7
137.09613	6.4
137.13278	11.6
139.11201	3.8
145.10112	8.8
147.11719	14.0
149.09647	2.1
149.13272	21.2
151.11220	2.4
151.14824	4.0
153.12791	2.0
155.10666	3.0
159.11670	7.7
161.13292	10.3
163.03925	2.2
163.11226	2.4
163.14854	12.6
165.12778	6.2
165.16454	2.2
173.13347	3.3
175.14830	10.6
177.14832	2.4
177.16376	6.4
179.14320	2.5
179.18097	1.7
183.13770	1.6
187.14883	4.6
189.16394	9.7
191.08382	2.0
191.17903	3.3
193.16026	2.0
201.16455	3.2
203.18022	1.6
207.17424	1.9
215.18053	5.1
245.22652	3.9
247.24153	1.7
251.10735	2.1
261.25970	2.2
263.23636	2.9
264.07541	1.7
271.24228	20.2
289.25220	20.7
292.07172	2.3
292.19910	1.4
307.09641	6.9
307.17365	3.3
307.26318	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.44847	0.8
53.03928	2.9
55.01866	2.9
55.05511	15.1
57.03432	2.7
57.07056	1.6
59.04985	3.2
65.03933	2.0
67.05180	1.7
67.05508	23.9
69.03420	1.6
69.07069	13.1
69.52232	0.9
69.77473	1.0
71.04990	11.3
73.06554	1.6
79.05065	1.8
79.05495	25.4
81.07057	26.2
83.04980	2.5
83.08617	6.7
85.06536	2.4
87.04462	1.8
91.05484	36.6
93.07044	30.5
95.04975	6.2
95.08606	16.9
97.06537	8.5
97.10149	3.9
99.08093	2.7
103.05466	1.0
105.07040	43.2
107.04929	3.5
107.07874	1.2
107.08601	18.4
108.05760	1.5
109.06526	17.8
109.10160	10.8
110.07275	1.5
111.08078	4.1
117.07030	12.5
119.08584	34.2
121.02854	3.4
121.06547	8.9
121.10143	11.4
123.08074	14.2
123.11681	1.6
125.09615	3.7
129.06976	2.9
130.42009	1.1
131.08560	13.1
133.06499	1.8
133.10136	23.7
135.08069	8.6
135.11661	5.2
137.09615	10.4
139.11176	2.2
140.16156	0.9
143.08543	3.3
145.10129	12.0
147.08057	1.6
147.11687	18.2
149.09637	7.4
149.13295	2.5
151.11195	17.2
155.08566	2.0
157.10103	2.1
159.08087	2.9
159.11713	9.2
161.09647	1.4
161.13255	4.1
163.07561	2.2
163.11177	9.7
165.12779	10.3
169.10095	2.0
171.11691	3.8
173.09645	1.3
173.13309	4.6
175.11127	1.8
175.14873	1.1
177.12747	3.9
179.14354	2.8
183.11647	2.8
187.11119	1.1
187.14838	3.3
189.16414	1.1
191.14310	1.6
197.13226	2.7
201.12703	1.6
213.16466	1.7
215.14291	1.5
215.17928	1.4
219.13824	1.8
219.35152	1.1
229.19502	5.8
233.15359	3.0
237.14760	1.7
239.17992	8.9
247.20541	3.9
249.18489	2.4
257.19031	9.9
265.18002	1.4
275.20071	52.3
289.17944	5.3
289.21158	1.8
307.09518	1.7
307.19336	6.1
307.22672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.1
55.01674	2.0
55.01876	21.7
55.05515	49.5
57.07080	12.6
59.47099	2.4
65.03951	3.3
67.05508	83.2
69.03442	2.9
69.07073	21.6
69.37435	22.0
71.04995	6.4
72.25284	2.2
79.05068	3.7
79.05502	57.8
81.03427	25.5
81.06583	4.8
81.07059	78.0
83.04977	16.5
83.08614	15.5
85.06524	10.3
91.05486	54.8
93.07047	55.1
95.04984	26.7
95.08618	50.2
97.06511	11.0
97.10169	12.9
99.08075	4.4
105.07032	56.9
107.04958	15.6
107.08599	34.4
109.06515	12.4
109.10164	27.0
110.37752	2.9
111.04417	2.9
111.08070	8.4
117.07014	20.0
119.08589	48.4
121.06490	7.9
121.10163	27.6
123.04424	5.3
123.08080	29.1
123.11681	10.2
124.84515	2.5
125.09633	18.4
129.07013	7.3
131.04900	3.2
131.08582	29.2
133.06506	6.9
133.10135	54.3
135.08038	10.8
135.11668	10.6
137.08556	3.1
137.09618	40.6
143.08543	5.0
145.10132	23.9
147.08018	4.0
147.11720	20.9
149.09590	23.2
149.13266	5.2
151.11211	13.6
153.09090	2.8
157.10164	5.2
159.08183	5.1
159.11691	15.1
161.09608	3.9
161.13239	4.9
163.11179	11.5
163.14778	6.2
164.63574	2.3
165.09109	11.3
165.12830	3.5
169.10216	3.1
171.11684	3.2
172.72617	2.5
173.09718	2.7
173.13257	13.1
175.11185	4.3
177.09103	5.1
177.12755	10.1
179.10706	3.4
183.11607	4.0
184.87057	3.0
187.11174	3.5
189.14169	2.8
191.14261	2.9
193.12302	3.7
201.12614	2.8
229.19504	10.3
239.17972	7.5
247.20615	12.3
257.18982	13.2
275.20081	100.0
276.20160	2.9
289.21655	5.8
294.29257	2.9
307.22766	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.03957	2.9
53.81236	0.5
55.01872	4.6
55.05515	9.9
57.03435	1.3
57.07072	1.3
59.04980	0.8
65.03960	1.2
67.05507	22.5
67.23223	0.6
69.06718	1.0
69.07067	9.8
69.99728	0.5
71.04997	0.9
71.08633	1.5
79.05492	11.6
81.03427	4.5
81.07060	29.1
82.23232	0.7
83.04968	3.1
83.08620	5.0
85.06542	1.5
91.05488	10.7
93.07047	12.1
95.04977	9.1
95.08611	19.3
97.06550	6.9
97.10172	3.0
99.08108	1.0
105.07037	10.4
107.04963	7.8
107.08595	6.5
108.05730	1.3
109.06509	3.4
109.10152	6.2
111.08095	1.4
115.05447	0.8
117.07047	4.3
119.08592	5.6
121.06510	5.4
121.10146	4.7
123.08070	2.4
123.11754	2.8
125.09631	2.4
129.07025	1.5
131.08565	6.7
133.10150	5.9
135.08054	2.5
135.11702	3.7
137.09628	0.9
137.13260	2.5
138.06326	1.0
143.08540	1.6
145.10156	3.3
147.08098	0.7
147.11713	3.2
149.09607	3.4
149.13271	1.5
150.54445	0.6
151.11200	2.8
157.10132	0.9
159.11755	4.1
160.94884	0.6
161.13278	1.5
163.11217	1.9
164.12006	1.6
165.12747	1.8
169.10165	0.9
171.11819	1.0
173.13329	1.7
177.12723	4.1
179.14317	0.9
187.11235	1.3
191.14325	1.2
201.51129	0.6
203.12721	0.6
205.12250	1.0
217.15868	0.6
229.19456	0.8
233.19035	0.8
235.22754	0.8
247.20609	0.8
251.16307	1.0
257.19009	1.8
271.24258	0.7
275.20050	10.9
289.21771	0.7
307.22705	100.0
308.23096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03938	4.9
53.04858	1.9
55.01874	16.0
55.05513	22.2
57.03423	3.2
57.07064	4.2
65.03931	2.2
67.05178	2.9
67.05506	43.5
69.03426	3.4
69.07072	25.7
69.58400	3.7
69.58807	9.8
71.04995	3.1
79.05493	35.3
81.03416	7.1
81.07058	48.9
83.04978	7.7
83.08630	10.0
83.16309	1.7
85.06528	4.7
91.05480	32.2
93.07043	35.6
95.04976	14.9
95.08610	29.2
97.06545	20.3
97.10173	5.1
98.06026	1.8
105.06381	3.0
105.07031	34.6
107.04956	11.5
107.08600	27.7
109.06538	14.4
109.10162	13.7
111.08044	4.8
116.70232	1.8
117.07016	8.9
119.08605	16.3
121.06514	11.2
121.10145	16.9
123.08082	10.1
123.11713	5.5
125.09647	4.1
129.06990	3.7
131.08578	16.9
133.06514	3.8
133.10130	23.5
135.08037	6.2
135.11700	10.0
137.05989	3.1
137.09608	9.5
137.13205	1.9
138.06267	3.0
139.11157	1.9
141.06943	2.2
143.08517	3.1
145.10138	14.7
147.08035	4.3
147.11687	16.8
149.09615	14.3
149.13206	4.9
151.10057	1.8
151.11180	7.9
155.08527	3.9
157.10100	4.7
159.11681	8.1
161.09645	3.6
161.13266	6.7
163.11223	14.0
165.12740	4.3
168.38692	1.7
169.10100	3.7
171.11713	2.3
173.09567	1.6
173.13229	7.5
175.11235	1.8
177.12755	6.1
183.11676	4.3
185.13271	1.8
187.11206	3.5
187.14857	2.4
189.12775	2.3
191.14319	4.7
197.13206	2.4
201.12711	4.0
205.15839	2.5
207.13710	4.1
215.14285	1.7
219.13800	6.9
229.19449	4.3
239.17966	4.9
247.20566	7.4
257.19009	16.1
275.20074	100.0
289.21594	5.0
307.15506	3.6
307.22726	50.1
307.28165	2.4
308.29556	9.3
313.88281	1.8
324.56122	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01882	10.6
55.05264	2.1
55.05515	23.9
57.03433	6.4
60.93972	1.9
65.03920	2.4
67.05510	52.5
69.03413	4.3
69.07072	25.4
70.46689	2.2
70.47013	4.8
71.04993	6.0
79.05499	42.6
79.05951	2.8
81.03426	8.3
81.07060	79.1
83.04990	6.1
83.08611	13.9
85.06544	4.8
91.05486	39.8
93.07049	41.5
95.04974	35.9
95.08614	43.3
95.53470	1.8
97.06541	11.3
97.10174	5.9
98.06055	5.2
99.08108	2.0
105.07037	44.0
106.86996	2.1
107.04974	7.0
107.08598	26.2
109.06542	21.0
109.10165	18.8
111.08077	3.1
115.05373	2.1
117.07039	14.1
118.86082	2.2
119.08587	38.0
121.06505	6.2
121.10145	17.9
123.08073	21.6
123.11695	7.6
125.09646	5.1
129.07030	3.5
131.08580	17.8
133.06532	2.5
133.10139	27.8
135.08060	6.8
135.11707	9.6
137.09653	16.3
139.11185	3.5
143.08566	4.4
145.10124	18.0
147.08073	3.7
147.11694	22.1
149.09610	13.3
149.13194	2.9
151.11278	3.2
157.10144	6.7
159.11682	15.7
161.09589	2.3
161.13293	7.1
161.16777	2.0
163.11172	10.1
165.09200	2.3
165.12779	3.7
169.10132	2.1
171.11792	3.0
173.13268	12.2
175.11282	3.0
175.14786	2.4
177.12732	3.0
183.11742	6.4
191.14328	3.9
197.13252	2.4
201.12830	4.6
201.16649	2.2
204.73888	2.2
219.17462	7.5
229.19559	3.7
239.18033	5.0
247.20581	10.7
251.16544	3.3
257.19012	15.0
263.20093	2.7
275.20078	100.0
276.20395	3.0
289.21619	12.1
307.22733	36.1
307.28210	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03933	6.2
55.01877	20.8
55.05516	31.7
56.03291	1.9
57.03432	5.2
59.04997	2.5
63.19548	2.0
64.41867	1.8
67.05509	42.2
69.07067	18.7
69.85070	12.5
71.04992	4.1
79.05496	49.6
81.03416	3.7
81.07057	46.7
81.52609	2.6
83.04977	7.1
83.08611	11.5
86.91225	2.2
89.42479	2.0
91.05486	36.3
93.07048	36.3
95.04988	9.9
95.08610	28.1
97.06528	19.7
97.10168	22.9
98.06068	2.1
98.20837	4.6
99.08039	2.0
105.07033	38.7
107.04954	12.6
107.08598	69.0
109.06512	15.5
109.10176	16.0
111.08086	4.5
112.39932	1.9
117.07016	12.5
119.08585	30.4
119.23123	2.9
121.06511	7.8
121.10159	16.6
123.08067	6.5
123.11713	6.0
125.09627	22.3
129.07031	2.6
131.08583	19.3
133.10129	22.2
135.08063	8.5
135.11684	9.3
137.09627	7.0
143.08612	2.7
145.10138	17.6
147.08083	2.5
147.11691	15.4
149.09621	20.6
149.13217	3.8
151.11229	4.8
153.09155	3.4
157.10098	3.9
157.12245	4.0
159.11673	13.9
161.13213	6.9
161.49025	2.2
163.11192	7.3
165.09198	4.7
169.10178	3.1
171.11606	4.2
173.13257	8.5
175.11208	3.2
177.12703	2.8
183.11664	2.9
187.11229	3.5
187.14798	3.2
197.13315	3.9
203.12747	21.7
219.17450	4.7
229.19534	4.9
239.17960	6.6
247.20566	7.8
251.16765	1.9
257.19003	19.3
275.20074	100.0
276.20425	4.2
281.63864	2.3
289.21680	11.2
307.22748	27.8
307.28210	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03958	6.9
55.01872	17.4
55.05263	3.0
55.05513	34.5
57.03441	14.4
57.07060	8.3
57.12785	2.2
63.84935	2.7
67.05508	52.4
69.03426	4.4
69.07074	23.5
69.86909	13.6
71.04998	3.8
71.08635	7.3
79.05496	54.9
81.03409	5.1
81.07061	75.8
81.19590	2.3
83.04988	5.2
83.08624	10.7
85.06520	5.2
91.05486	46.2
93.07047	41.4
95.04964	25.4
95.08603	41.0
96.91325	2.8
97.06544	20.1
97.10174	12.0
98.06068	3.8
99.08100	7.1
105.07030	44.4
105.39660	2.6
107.04974	9.6
107.08601	56.6
109.06522	60.4
109.10166	15.2
111.08082	6.0
113.54276	2.5
117.07042	14.3
119.08588	32.7
119.09411	4.2
121.06510	11.3
121.10145	21.3
123.08041	10.1
123.11714	7.1
125.09657	12.9
129.06950	5.1
131.08556	20.0
133.10120	28.4
135.08052	11.9
135.11650	12.5
137.09618	6.7
137.13263	3.1
139.11185	3.2
143.08545	3.9
145.10138	22.0
147.11717	22.4
149.09637	23.7
149.13300	5.5
151.11186	6.6
153.09169	2.8
157.10161	5.0
159.11710	22.8
161.13260	7.9
163.11186	10.3
165.12764	99.8
169.10132	3.2
170.59219	2.8
171.11678	5.7
173.13254	11.7
175.11282	3.7
175.14723	2.6
177.12788	8.8
178.80653	2.9
179.14281	2.4
183.11603	3.5
185.13246	11.2
187.14850	3.0
197.13274	3.0
201.12787	3.0
203.12773	9.4
203.14371	8.1
219.17445	32.6
227.26035	2.4
229.19589	5.0
235.16931	4.3
239.17877	5.4
243.21049	2.9
247.20671	5.4
251.16493	6.5
257.18988	14.7
261.22214	7.9
275.20081	82.9
289.21597	34.3
307.22699	100.0
307.28116	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03938	2.1
55.01877	8.5
55.05515	35.0
57.03434	4.5
57.07076	1.7
65.03934	1.5
67.05509	30.8
67.62266	1.3
69.03417	2.8
69.07079	10.5
70.72333	3.9
71.04998	2.4
79.05499	56.6
81.03410	3.5
81.07065	30.7
83.04978	5.9
83.08627	13.1
85.06551	1.6
91.05492	31.5
93.07047	28.6
95.04969	6.4
95.08617	15.9
97.06526	10.4
97.10172	24.9
105.07036	31.3
107.04959	12.4
107.08600	100.0
109.06535	8.3
109.10149	7.9
111.08128	3.1
117.07020	6.9
119.08588	19.5
121.06528	2.0
121.10139	11.2
123.08057	3.7
123.11697	2.9
125.09641	30.9
127.01736	1.2
129.06972	1.8
131.08592	10.3
133.10135	16.9
135.08089	11.9
135.11723	5.5
137.09644	2.9
143.08580	3.0
145.10139	15.4
147.11694	13.7
149.09636	24.8
149.13258	1.8
151.11238	2.4
151.19261	1.2
153.09102	6.5
153.12704	1.9
157.10109	3.5
157.12241	4.0
159.11707	7.5
160.81973	1.2
161.09610	1.3
161.13271	5.9
163.11192	4.7
165.09073	1.7
165.12766	1.6
167.10689	1.6
169.10130	1.3
171.11739	2.5
173.11858	1.7
173.13289	2.9
177.12723	3.0
181.12273	1.9
183.11748	3.1
185.13219	2.2
187.11163	1.4
187.15053	1.1
193.12073	1.3
195.68568	1.2
197.13220	1.2
203.12808	22.3
203.14522	2.7
216.95209	1.3
219.17528	1.5
229.19592	2.9
239.17911	4.0
247.20630	3.5
257.18961	12.1
275.20074	69.6
276.20425	1.3
289.21729	9.3
307.22699	13.1
320.67563	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
52.84261	2.3
53.03943	4.2
54.27962	2.5
55.01877	12.9
55.05515	56.6
57.03445	37.9
65.03947	2.8
67.05510	44.6
69.03436	4.8
69.07079	13.5
70.62115	8.0
71.04997	3.7
73.06552	3.2
79.05498	46.7
81.03426	8.4
81.07065	35.0
83.04985	12.7
83.08626	22.6
91.05483	36.7
93.07045	33.0
95.04988	17.5
95.08600	16.3
97.06538	7.3
97.10178	31.4
105.07030	28.9
107.04971	21.5
107.08598	30.5
109.06534	14.2
109.10139	13.9
111.08099	5.9
117.07043	18.1
119.08593	30.2
121.06529	11.8
121.10137	9.6
123.04403	3.2
123.08070	5.0
125.09644	33.1
125.86849	2.3
129.07027	6.7
131.08603	17.5
133.06523	7.1
133.10101	13.1
135.08069	25.3
137.09647	6.7
141.06987	3.5
143.08604	6.7
145.06522	8.9
145.10124	12.7
147.04341	2.3
147.08089	8.5
147.11688	5.7
149.09625	8.5
151.07513	2.8
151.11191	5.5
153.09120	11.9
155.08568	5.7
157.10095	10.4
159.08067	46.0
159.11725	6.0
160.08832	4.6
161.09605	5.4
163.07574	9.8
163.11197	3.5
169.10135	5.6
171.11723	7.2
173.09625	7.6
173.13300	5.7
177.09119	4.3
181.10049	2.7
185.09563	4.2
187.14870	8.0
189.11304	15.1
206.10826	3.1
215.14351	9.2
225.12758	2.9
233.15422	15.8
243.17393	6.5
244.16492	2.6
253.15869	7.7
261.18591	3.7
271.16977	33.0
275.20123	7.0
289.17966	100.0
307.09766	3.0
307.19528	13.6
307.23099	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	307.1902
Annotation	Corrin
Peak:m/z	Relative Intensity
53.03937	12.5
55.01878	29.4
55.05520	49.2
57.03440	65.8
57.03711	8.8
67.05508	77.8
69.07063	25.1
70.07246	13.8
70.07635	13.7
71.04993	11.0
73.06557	6.2
79.05495	100.0
81.03415	9.6
81.07059	72.9
83.04979	82.7
83.08614	15.3
85.06546	16.9
85.22382	5.4
91.05486	84.6
93.07044	64.7
95.04949	27.0
95.08619	49.5
97.06525	38.1
97.10149	8.1
105.07035	68.4
107.04954	71.5
107.08605	69.6
109.06522	39.9
109.10170	20.5
111.04430	47.9
111.08080	11.4
115.05455	8.0
117.07021	25.5
119.08590	56.5
121.06509	27.0
121.10146	25.1
123.08060	16.8
123.11736	6.9
125.05988	7.6
125.09657	15.1
129.07043	17.5
131.08566	31.5
133.06497	15.7
133.10141	34.9
135.08035	20.0
135.11662	17.7
137.05968	32.6
137.09633	14.2
138.06328	31.9
141.06998	8.3
143.08562	11.4
145.06471	12.4
145.10098	35.1
147.08037	18.3
147.11685	22.5
149.09677	27.6
149.13316	8.3
151.11237	13.3
155.08514	9.2
157.10153	15.5
159.08060	16.3
159.11699	25.7
161.09651	11.2
163.07474	8.3
163.11200	24.6
165.09196	8.0
165.12779	12.1
166.13074	7.6
171.11685	11.1
173.13278	14.3
175.11192	13.1
177.12785	21.6
183.11662	10.4
187.11240	6.3
187.14948	7.6
203.12831	12.4
205.15846	13.8
215.14343	9.6
224.76953	5.8
229.19344	7.7
233.15337	40.1
239.17883	8.1
243.17436	13.1
247.20589	11.9
253.15904	7.6
257.19016	14.7
261.18460	23.5
271.16989	16.2
275.20071	94.2
289.17984	57.3
289.21301	11.4
290.22092	10.3
295.34656	5.9
307.22644	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.00318	1.6
53.03944	7.3
55.01872	12.5
55.05514	56.8
57.03434	14.9
57.07069	5.1
65.03919	2.2
67.05507	48.0
69.03439	3.8
69.07063	22.5
71.04996	5.7
71.08630	6.5
71.56457	2.3
73.06552	2.6
79.05496	46.1
81.03415	11.1
81.07057	60.8
83.04984	100.0
83.08620	11.3
85.06540	4.8
91.05483	46.3
93.07043	49.1
95.04971	22.1
95.08611	39.7
97.06525	12.1
97.10171	11.0
98.06036	5.8
99.04446	4.4
99.08113	4.1
103.05451	2.8
105.03366	2.7
105.07034	44.8
107.01363	3.1
107.04963	17.6
107.08596	43.3
109.06522	29.9
109.10165	12.8
111.04438	4.9
111.08103	5.0
115.05508	1.9
117.07027	17.2
119.08579	29.5
121.02870	12.8
121.06503	11.6
121.10153	16.0
123.04456	8.4
123.08077	11.3
123.11704	2.6
125.06002	6.3
125.09623	9.3
127.07620	2.0
128.06201	1.8
129.06973	5.8
130.07751	2.3
131.08577	20.8
133.06470	3.6
133.10146	19.6
135.04428	6.1
135.08040	11.1
135.11710	9.9
137.05969	8.2
137.09581	8.3
137.13335	2.2
138.06323	2.8
139.07535	2.4
141.06987	4.1
143.08577	7.3
145.06473	5.3
145.10132	21.0
147.08060	5.8
147.11699	15.9
149.06018	6.2
149.09615	16.2
149.13246	5.5
151.11226	3.5
153.09126	2.4
155.08586	3.2
157.10136	7.0
159.08049	5.0
159.11691	17.3
161.09636	5.7
161.13298	7.9
163.07555	9.2
163.11177	14.5
165.12755	53.1
169.10155	7.1
171.11644	9.5
173.09641	2.9
173.13324	4.8
175.11185	4.0
175.14940	1.8
177.09084	4.7
177.12733	10.0
179.10738	3.1
179.14325	2.6
183.11725	5.5
185.13242	6.2
187.11182	7.6
189.12753	4.4
191.14340	3.9
193.12137	1.6
197.13379	3.2
201.12857	2.3
203.12738	6.3
203.14380	5.0
205.12242	13.1
205.15897	2.6
207.13815	5.5
215.10669	2.6
215.14255	2.0
215.18082	1.8
219.13979	2.5
219.17450	19.7
223.13324	2.2
225.16425	2.6
229.19571	3.3
233.11737	17.2
233.15384	6.5
235.16904	4.2
239.17989	5.2
243.17531	3.6
243.50781	1.6
247.20546	4.7
251.16444	1.8
253.15944	2.9
256.78641	2.0
257.19043	7.5
261.18500	7.3
263.14035	1.8
263.18085	1.8
271.16949	22.8
275.20087	52.8
289.18005	65.4
289.21573	15.3
307.15411	5.0
307.19061	35.3
307.22705	40.4
307.28235	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81182	8.9
53.99845	9.2
70.06580	35.5
71.06947	16.6
71.53976	15.6
72.08159	61.6
76.14024	8.4
83.61095	8.5
84.08130	33.6
97.92603	9.7
99.10027	13.2
100.04023	8.9
101.00887	25.8
108.47388	10.1
119.01927	39.0
126.35017	11.0
131.18840	10.9
132.08482	8.6
135.97684	10.9
145.10516	11.3
166.08598	12.9
187.00874	11.0
193.55771	9.6
202.89204	12.2
215.00505	13.4
219.91833	10.0
243.21552	10.6
247.03128	16.7
253.11821	37.5
271.13000	30.6
289.13995	32.1
307.07642	73.7
307.10092	100.0
307.15582	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	307.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29020	1.5
52.66274	1.9
54.10778	1.6
55.01881	5.0
56.05013	2.2
57.03452	3.1
61.02927	8.4
69.03440	2.8
69.07111	1.9
70.06603	6.9
71.06963	4.0
72.08154	4.8
72.93805	2.1
76.02272	2.2
79.05499	3.8
80.02361	1.9
81.03431	5.0
84.04513	19.9
84.08152	59.5
85.02906	5.4
86.06086	4.9
86.09727	4.5
88.04002	2.6
91.05479	13.9
95.01366	2.1
95.04971	4.1
97.02900	3.1
103.05486	3.6
105.07032	11.6
107.04973	7.3
109.02871	2.6
111.04438	2.3
115.05477	5.8
117.07042	8.0
119.04958	19.6
121.02870	16.5
123.04445	6.7
124.07546	2.9
127.03890	2.4
128.06285	3.4
129.07050	1.9
130.05043	3.5
130.06543	32.6
131.04959	9.2
131.08586	4.5
132.04456	7.8
133.06502	46.3
137.02373	1.7
140.07092	3.8
141.07042	8.5
141.13896	2.0
143.05006	2.2
144.05719	2.2
145.06490	16.8
146.06004	2.8
147.04427	59.4
149.02357	1.9
149.06010	4.8
153.06998	6.0
155.06111	4.1
157.06479	13.4
157.07654	25.5
158.06039	33.1
159.04390	10.7
159.08026	2.9
161.04613	4.3
161.05997	87.9
163.03885	5.0
169.06491	8.4
169.13394	6.0
171.04344	5.9
171.05582	5.1
171.08037	6.9
173.05989	34.1
173.09616	2.3
175.03917	5.3
175.08723	15.6
177.05508	13.1
181.06438	11.1
183.04436	3.8
183.11673	1.9
185.05975	17.2
187.03967	7.7
187.07570	8.0
189.05478	100.0
191.03358	16.9
197.05997	14.8
199.03920	5.2
199.07536	13.7
201.05476	67.1
203.03444	3.4
203.06929	3.5
213.05513	16.3
215.03369	2.2
215.07019	18.8
215.13908	23.0
217.05093	2.3
225.05579	5.2
229.04968	12.5
229.12234	2.5
231.06645	3.1
233.04387	3.7
243.06456	23.7
243.17079	24.4
245.09126	2.7
245.12920	3.8
247.06186	4.8
261.07892	14.2
261.12033	2.0
265.07089	6.3
271.06149	5.5
271.10693	2.3
289.07339	6.1
289.11707	12.9
290.13623	1.8
302.82919	1.7
307.08194	9.6
307.12811	14.1
307.15921	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	307.1289
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
53.30081	0.4
55.01867	1.7
56.65514	0.4
68.67199	0.4
69.03429	0.9
69.07083	0.9
69.40913	3.4
70.06587	0.9
72.08147	1.1
73.02919	0.4
76.02199	0.6
79.05499	0.6
81.03416	0.9
81.07075	0.5
85.02908	0.9
91.05482	1.1
93.07041	0.4
94.06577	0.7
95.04983	0.4
95.08602	0.5
97.02876	0.6
97.06542	2.1
98.06063	1.1
103.03932	0.7
105.07043	1.2
106.06549	0.7
107.04910	0.4
107.08576	1.6
108.04480	0.9
109.02837	0.4
119.04928	0.5
119.08613	0.4
120.08946	0.5
122.06045	2.0
123.04451	0.6
124.07582	1.0
127.03921	1.1
129.07040	0.5
131.08592	0.5
132.08173	0.5
133.06535	0.5
134.09547	0.4
135.04427	0.4
135.08060	2.2
135.09073	0.5
136.07573	1.3
140.07085	1.9
141.07042	0.4
144.08073	0.5
146.05994	0.8
146.09569	0.6
147.04517	0.5
150.05437	0.5
152.07115	0.5
156.08066	0.7
157.08780	0.5
158.09637	0.4
159.09140	0.6
160.07642	2.0
161.05928	0.4
163.03932	0.8
163.08713	1.2
166.08649	0.6
168.06543	1.8
170.06004	0.6
170.09636	1.0
173.07106	0.7
173.10797	0.5
174.09149	2.6
176.07088	0.8
176.10709	0.5
177.10219	1.3
178.08643	15.5
182.08188	0.9
184.07582	1.5
187.08774	1.2
188.07085	2.8
188.10793	0.5
191.08252	1.2
196.09654	1.0
198.09157	1.6
201.06615	0.8
201.10281	3.0
202.08635	5.0
204.10291	0.7
205.09663	3.0
206.08174	2.4
212.07042	1.0
215.08098	0.5
215.11833	0.6
216.10310	2.9
217.09741	0.6
219.07745	1.6
219.11307	5.0
220.09698	2.2
226.08673	2.3
229.09714	5.3
230.08150	3.5
231.10104	0.8
243.11353	2.3
244.09726	3.9
247.10799	11.2
248.09155	1.1
249.05193	0.5
254.08107	0.8
261.12277	0.9
262.10727	1.3
262.14365	0.7
263.13669	0.6
265.11826	13.5
271.10834	1.6
272.09268	1.6
289.11816	14.8
290.10254	0.8
301.85770	0.4
307.12885	100.0
308.15353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
55.05512	4.1
56.70309	1.9
56.96556	3.4
57.03427	1.4
68.05024	5.5
69.03427	3.1
70.06588	17.4
70.70731	3.0
70.99861	2.2
71.04969	1.7
71.06898	1.6
72.04533	2.0
72.08160	63.5
73.02918	1.6
73.08486	2.0
76.02237	1.8
81.03388	2.9
82.06565	2.4
82.99828	3.0
83.15276	1.6
84.04515	23.3
84.04981	3.1
84.07696	2.4
84.08151	26.2
85.02897	9.0
95.01318	4.0
95.06075	1.9
96.04480	6.7
97.01398	2.3
97.02879	3.8
98.06065	2.9
98.09697	14.8
98.97592	2.9
99.10011	9.6
101.00892	37.5
102.05527	2.3
103.02435	3.9
108.08109	2.1
110.07179	2.6
111.04475	1.6
112.03999	1.8
113.00857	1.9
113.10719	3.1
114.05533	9.4
114.09156	6.5
115.02439	14.4
115.08679	3.3
116.09031	2.5
117.04010	2.1
119.01929	100.0
124.03955	4.5
126.09104	1.6
128.03412	3.0
129.03975	2.9
130.05034	9.1
131.01913	10.8
133.03462	22.8
137.02977	18.8
139.03902	2.1
142.04956	6.2
143.01936	9.2
144.10210	6.6
144.99814	2.9
145.03459	4.4
145.10545	5.9
145.86172	1.5
147.05003	4.7
149.02957	2.9
150.09135	6.8
151.04477	3.2
151.06305	2.0
151.09540	2.3
154.08607	2.1
155.01872	2.7
157.03462	4.1
159.01404	3.4
161.02983	15.2
163.04449	1.7
164.07062	1.9
166.08646	10.7
168.99838	11.0
170.08127	5.4
171.01401	1.9
172.09711	2.7
172.99510	2.0
173.02979	5.2
175.04498	5.1
177.02376	11.2
181.03517	1.8
182.04520	2.6
182.08167	3.6
186.07599	2.8
187.00900	27.5
189.02467	3.2
191.04030	4.6
193.09631	2.3
196.56439	1.8
196.99358	8.4
200.05579	2.7
201.02449	2.8
203.04016	2.4
205.02005	9.3
205.05696	1.9
207.11305	2.7
208.09801	2.2
210.11378	2.1
215.00380	34.0
217.01959	3.8
217.05547	5.5
217.07401	1.7
219.03499	10.7
219.07112	3.0
221.05042	1.9
223.05020	1.8
226.07059	2.4
229.01915	16.9
231.04369	4.3
231.87868	1.7
233.01541	2.8
235.10786	7.0
236.09241	8.9
237.02805	2.1
245.05090	2.3
247.03014	65.7
247.06767	2.9
253.11823	24.4
254.10248	3.7
265.04071	10.2
265.07773	2.6
270.04471	2.0
271.12866	30.1
272.07782	2.7
272.11255	6.8
283.37045	1.7
285.61496	1.4
289.04013	5.5
289.08844	1.9
289.14020	22.8
307.04956	2.9
307.07901	15.9
307.15594	27.2
321.10349	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	306.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.8
57.07080	100.0
59.99117	10.5
67.05212	0.7
67.05511	3.8
67.28339	0.7
68.05840	1.1
69.07066	1.1
79.05502	1.7
81.07074	1.5
85.07651	0.9
86.06073	17.3
91.05495	1.4
92.05825	0.7
93.07055	1.1
95.04988	6.5
95.08634	0.8
96.05341	1.9
98.21448	1.6
102.03762	3.3
102.99656	0.7
105.07050	1.3
106.06563	67.8
107.04983	0.7
116.05327	44.5
119.08640	1.1
132.08899	0.7
137.05925	3.6
145.04314	12.3
174.53232	0.7
201.10582	59.0
208.05290	3.3
229.27873	0.8
250.10153	4.3
274.18869	1.9
306.16290	5.8
306.21744	1.0
306.27997	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79616	0.3
55.05509	0.5
59.23410	0.3
60.44451	0.3
61.21301	0.3
63.35544	0.3
65.03101	0.3
66.04733	0.5
67.05502	0.6
69.07074	1.2
70.45551	0.7
70.45951	0.8
79.05495	0.7
79.08595	0.3
81.07065	0.5
91.05505	0.6
93.07020	0.4
94.04185	2.1
97.06538	0.4
97.48345	0.3
98.18045	0.3
107.08561	0.6
109.10155	0.8
112.84512	0.3
114.09161	0.7
122.03655	6.5
128.41560	0.3
133.10159	0.9
135.11690	1.2
137.05986	100.0
138.06329	0.8
151.11232	0.5
153.12790	1.5
170.15410	2.4
182.15369	2.9
266.17172	0.4
306.20645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27742	0.1
53.03941	0.3
55.01871	1.0
55.05516	7.9
56.05031	0.2
57.03416	0.2
57.05807	0.2
57.07082	1.0
65.03933	0.5
67.05510	10.5
69.07074	7.4
69.45623	0.3
69.46022	1.2
70.06590	0.2
71.08604	0.2
72.04502	0.5
79.05062	0.2
79.05493	2.5
81.07061	7.9
82.06579	0.3
83.04980	0.2
83.08629	3.0
84.04545	0.1
84.08126	0.4
85.05292	2.2
85.06546	0.2
86.06068	1.1
91.05485	1.2
93.07053	2.1
95.04951	0.2
95.08612	5.2
96.08128	0.6
97.06520	0.2
97.10187	0.9
98.06062	15.5
98.20750	0.3
99.06856	0.4
100.07632	0.2
105.07024	0.7
107.08613	1.1
108.08153	0.2
109.06562	0.2
109.10165	1.8
110.09690	0.3
112.07614	2.0
119.08594	0.6
121.10133	0.4
122.09680	0.2
123.11690	0.5
124.07591	0.3
124.11229	0.3
125.08368	0.3
126.09148	0.6
131.08519	0.3
133.10133	0.6
134.09650	0.2
135.11696	0.4
137.05974	2.5
137.13194	0.2
138.09135	0.4
140.10706	0.5
147.11702	0.3
152.10736	0.3
154.12334	0.7
161.13278	0.2
163.14751	0.1
166.12276	0.3
168.13829	0.5
171.67494	0.1
171.94797	0.1
180.13893	0.2
180.17671	0.2
182.15414	0.4
194.15466	0.3
196.16959	0.6
203.12875	0.1
203.14586	0.1
208.16972	0.7
210.18561	0.3
222.18571	0.7
224.20226	0.2
236.20169	0.7
238.21526	0.2
240.06645	0.2
250.21748	0.3
275.20129	0.4
306.27921	100.0
307.28271	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.6
55.05515	2.0
56.05025	6.9
57.03425	2.7
58.99586	1.9
60.04539	1.6
61.02914	6.5
62.44157	1.4
68.05016	4.4
69.03431	4.1
70.06580	12.0
71.54667	2.5
72.08158	50.4
73.02898	1.7
74.00673	1.9
76.02222	7.9
76.03998	5.0
77.00936	1.5
81.03424	2.3
82.99864	2.3
84.04508	48.2
84.08147	15.0
85.02934	7.5
85.04015	3.1
86.06072	2.3
95.01339	4.6
96.04489	3.8
97.02900	4.3
98.06069	3.7
98.09682	2.8
99.10014	1.8
101.00883	31.5
102.05559	1.9
103.02423	1.8
108.20744	1.6
109.02826	3.3
112.03967	3.3
113.00887	1.9
113.02402	1.9
113.10773	3.5
113.63913	1.5
114.03767	2.3
114.05550	7.3
114.09164	4.6
115.02441	13.6
115.08711	2.1
116.01691	3.8
119.01928	100.0
121.01672	2.3
124.03949	3.4
124.07614	2.3
126.98845	1.6
127.03912	6.2
128.07111	2.9
129.04001	4.0
130.05022	25.5
130.06557	4.3
131.01913	8.2
131.04536	4.4
133.03468	22.5
137.02008	1.8
137.02971	21.8
139.03818	1.6
140.01639	1.7
140.03510	1.8
140.07095	2.4
142.03387	2.8
142.04999	3.8
143.01872	7.4
144.99814	4.1
145.03476	7.1
145.10497	2.3
147.05074	4.3
149.02979	1.7
151.04555	2.5
154.05046	2.4
154.08543	1.7
155.01886	2.4
157.03455	4.7
157.07623	5.7
158.06049	5.7
159.01427	4.2
160.04308	4.4
161.02962	17.7
162.02206	2.4
163.02783	2.6
163.04489	1.7
166.08661	6.8
168.06622	2.9
168.99829	10.3
170.08134	5.4
171.01276	1.9
173.02965	7.4
175.04504	2.3
175.11858	2.0
177.02463	7.2
177.03522	2.4
179.04907	4.4
180.13657	1.6
182.04420	3.1
182.08162	2.5
183.11693	1.6
185.03912	2.0
185.06996	1.6
186.07651	8.3
187.00919	25.7
187.02562	3.9
187.04486	1.7
189.02417	3.9
191.03906	3.6
194.08221	1.8
196.99271	8.0
200.05603	2.7
201.02420	2.0
201.06084	2.8
202.89146	2.4
203.04007	2.7
205.01936	12.6
205.05589	2.5
208.09605	1.9
209.00450	1.7
215.00369	33.5
217.01929	2.8
218.04840	3.3
219.03471	9.8
224.05327	2.2
228.03613	1.9
229.01910	16.9
231.04385	9.4
233.01459	2.8
235.01970	2.3
235.10846	6.6
236.09216	6.3
243.08011	4.5
245.05145	3.3
247.02986	60.3
253.07683	4.2
253.11804	23.8
254.10225	2.7
257.07724	2.1
261.04300	2.0
261.08820	2.3
265.04022	11.1
270.04654	3.2
271.12900	25.4
272.11279	5.3
275.12323	1.9
277.07840	3.1
289.04184	7.5
289.08563	4.4
289.13995	17.7
295.08743	2.2
307.04974	3.0
307.09805	25.9
307.15457	16.0
308.09134	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	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03949	1.9
53.95668	0.9
54.01890	0.8
55.01861	3.8
55.05516	13.1
57.07068	2.6
65.03927	0.9
67.05174	1.4
67.05510	21.9
69.03417	1.9
69.07072	27.5
69.26817	5.7
69.27229	2.3
71.04992	2.3
73.06530	1.0
74.63139	0.8
79.05062	1.3
79.05497	19.7
81.07063	34.0
82.74647	1.2
83.04980	2.7
83.08622	6.2
84.08162	1.3
85.02901	1.7
85.06548	2.3
86.29999	0.9
89.74657	1.0
91.05481	15.2
93.07048	35.6
93.07633	2.1
95.04971	4.0
95.08614	39.7
96.08965	0.8
97.02885	2.5
97.06547	3.2
97.10178	3.4
99.08109	2.2
105.07040	17.8
107.04955	2.0
107.08599	35.3
109.06525	7.9
109.10170	27.6
111.08086	18.5
111.11710	1.4
117.07023	2.9
119.08587	13.0
121.06484	2.5
121.09311	1.6
121.10149	19.8
123.08105	2.0
123.11712	8.9
125.09618	2.1
125.62330	0.9
129.06976	2.1
131.08572	8.1
133.10141	12.7
135.08055	5.1
135.11703	14.1
137.09608	8.9
137.13295	2.0
139.11201	1.1
143.08585	2.8
145.10107	5.2
147.08043	2.1
147.11691	8.5
149.09627	100.0
149.13263	11.2
150.09985	1.1
151.11172	2.6
157.10118	2.0
158.10953	0.9
159.11696	3.5
161.09647	4.1
161.13272	7.0
162.10365	1.1
163.11211	12.9
163.14819	5.3
165.12737	2.2
167.10655	1.0
171.11702	3.3
173.13235	4.3
175.11195	4.4
175.14816	4.4
177.12831	1.1
177.16359	1.9
179.10629	1.1
185.13261	2.9
187.14825	3.1
189.16393	4.5
191.14346	1.8
191.18065	0.9
199.14868	2.2
201.16461	2.0
203.14291	2.4
203.18008	2.3
205.15842	3.0
213.16441	2.5
215.17972	1.0
217.15840	1.5
219.17538	1.1
231.17436	1.9
243.21159	1.1
257.22647	1.1
259.24164	1.7
269.22610	4.2
275.23587	1.1
287.10065	1.1
287.23682	21.9
305.24762	67.6
306.26123	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	306.137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81853	0.9
55.01859	1.4
55.05512	9.2
57.03433	2.8
57.07076	6.3
58.06606	1.2
58.99592	6.0
62.11630	0.9
67.05510	6.1
69.03431	6.7
69.07066	5.6
71.01354	1.5
71.04993	1.7
71.08634	16.1
71.55554	0.9
71.55917	1.2
72.08150	2.2
74.06072	2.2
76.02231	12.4
79.05495	13.0
81.03411	2.3
81.07068	14.5
82.07397	1.3
83.04978	1.8
83.08602	1.7
84.08129	3.2
85.02911	43.7
85.06561	5.2
86.99075	6.5
91.05479	6.6
93.07047	22.0
94.07358	1.4
95.04958	3.7
95.08622	6.3
96.08939	2.3
97.02898	25.1
97.06521	3.2
99.08102	18.4
99.20454	1.0
100.02190	4.0
105.00076	6.7
105.07014	4.4
107.04960	3.0
107.08606	5.4
108.08944	1.6
109.02946	0.9
109.06465	1.5
109.10161	2.7
110.10480	2.2
111.04450	11.0
111.08086	2.4
113.02345	2.1
113.06014	8.5
115.03908	2.9
118.06552	15.0
119.08579	3.7
120.08892	1.1
121.06521	11.9
121.10152	21.3
122.02737	75.9
122.10454	1.5
123.11668	1.4
125.04237	1.5
125.05980	3.7
128.01653	4.1
129.07027	1.2
131.03441	1.9
131.08572	24.2
132.08081	6.5
133.08896	2.0
133.10014	1.8
134.09627	2.2
135.08035	1.1
135.11728	1.3
137.05986	2.4
139.11176	3.6
145.79056	1.0
146.02687	6.8
146.09613	4.8
148.11133	1.3
149.09631	41.8
150.09956	2.2
150.13557	1.3
162.05800	1.6
167.10684	67.4
171.08363	1.1
174.02173	1.6
176.14355	85.4
185.11749	48.3
185.13129	0.6
189.09486	6.1
202.15897	1.1
216.13734	1.2
217.08960	13.1
224.11125	1.8
235.07387	1.5
242.12053	3.2
263.07147	1.3
264.07816	2.0
270.11502	7.3
288.12640	14.1
288.19388	5.2
288.24063	2.1
306.09042	2.6
306.13718	10.7
306.16992	100.0
306.20645	21.5
306.24905	6.3
307.09695	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	306.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93532	0.3
56.96564	0.2
62.32612	0.2
67.05481	0.1
68.05029	0.6
69.03438	0.2
70.06595	100.0
70.19263	0.3
70.19659	0.4
71.06920	0.5
72.08160	0.7
72.93797	0.2
74.06069	0.2
75.75911	0.2
78.47476	0.2
84.04517	0.5
84.08142	0.8
85.02930	0.3
87.47514	0.2
97.02898	0.2
98.06062	0.4
98.21498	0.2
98.97590	0.2
104.80367	0.2
110.07128	0.2
114.68105	0.2
116.07117	0.2
119.04971	0.2
130.05049	0.2
130.06523	0.4
131.06915	0.5
132.08421	0.4
137.05984	0.3
140.06975	0.2
144.10211	0.8
158.06047	0.6
159.06358	0.8
163.03998	0.2
165.07506	0.2
174.07529	0.4
239.71167	0.2
288.42300	0.2
306.11786	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	305.2475
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03941	1.9
55.01874	7.0
55.05266	2.1
55.05515	21.9
57.07066	4.9
57.94984	1.3
59.04990	2.4
65.03932	1.6
67.05508	38.5
67.63033	1.3
69.03438	2.3
69.06732	1.8
69.07074	31.3
70.90871	3.0
71.04993	2.9
79.05070	2.3
79.05495	26.7
81.03389	1.4
81.07059	83.0
83.04981	2.4
83.08618	13.1
85.06525	5.8
91.05482	14.2
93.07050	50.3
95.04961	5.1
95.08611	100.0
97.02888	3.2
97.06509	4.6
97.10172	6.2
99.08077	3.7
105.06392	1.8
105.07037	24.1
106.31325	1.3
107.08603	51.1
109.06545	6.9
109.10161	71.5
111.08092	43.1
111.11701	2.4
117.07036	2.7
119.08591	25.1
121.06474	2.4
121.10152	43.2
123.08046	6.8
123.11709	20.5
125.09612	3.9
128.06267	1.6
131.08548	9.4
133.10132	21.7
135.08061	3.2
135.11699	20.6
137.08649	2.8
137.09619	26.9
137.13263	8.2
139.07599	1.3
139.11179	3.6
143.08624	1.4
145.10106	9.9
146.76553	1.5
147.11699	16.8
149.09637	19.2
149.13264	21.9
151.11212	4.4
151.14832	4.1
157.10101	4.6
159.11716	9.3
161.09586	3.6
161.13298	17.2
163.11208	2.8
163.14824	23.9
165.09128	1.8
165.12729	3.8
167.10690	2.3
171.11690	2.8
173.13255	5.8
175.11214	1.8
175.14844	8.4
177.12793	1.9
177.16405	4.2
179.10683	1.8
179.14331	5.0
185.13266	5.2
187.14825	5.6
189.16373	9.1
191.14365	3.3
193.12239	1.9
193.15849	3.8
199.14841	5.8
201.16368	5.4
203.14323	3.2
203.17911	4.0
205.15877	4.7
207.17477	3.1
213.16386	4.0
215.17967	1.8
217.15889	3.5
219.17447	2.2
227.18015	1.7
231.17387	2.8
233.58838	1.3
235.17068	1.6
243.21094	1.8
249.18494	2.3
259.24246	5.2
261.22113	2.5
269.22687	11.6
275.23740	4.4
287.13635	1.5
287.23691	42.2
305.05569	2.8
305.11432	1.9
305.24753	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	305.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01874	2.6
55.05516	7.9
57.03432	2.0
57.07083	19.2
59.05008	4.2
59.99099	0.8
65.03947	5.0
67.05510	50.4
69.03428	2.2
69.07070	6.7
71.04990	0.9
71.08629	11.3
71.55693	0.8
72.82457	0.6
74.17270	0.6
79.05502	15.6
81.03446	1.6
81.07063	14.3
83.05009	1.3
83.08615	2.8
84.11761	0.6
85.06553	1.9
85.10187	11.0
86.06057	1.3
89.06043	1.9
91.05488	17.3
93.07052	17.6
95.01372	0.6
95.04977	100.0
95.08618	10.2
96.08919	0.7
97.06506	4.1
97.10199	1.1
99.11751	0.7
103.05480	0.8
105.07044	14.5
106.06558	4.0
107.04953	8.6
107.08606	8.5
109.06516	3.7
109.10159	3.3
111.08125	3.1
116.05341	2.5
116.06221	1.1
117.07030	4.5
119.08606	6.0
121.06513	6.5
121.10143	4.6
123.08070	2.1
123.11690	1.2
125.09658	2.6
128.06245	1.2
129.07028	2.8
130.07826	0.9
131.08566	10.7
133.06523	3.2
133.10120	5.2
135.08049	3.0
135.11685	5.2
137.05995	3.3
137.09627	1.0
141.06985	0.8
143.08554	4.8
145.04247	0.8
145.06552	1.0
145.10133	5.8
147.08060	5.1
147.11710	2.8
149.09644	3.0
149.13304	1.9
157.10179	2.3
159.11658	3.0
161.09657	2.0
161.13324	0.9
163.07593	1.0
163.11215	2.0
165.12746	0.8
169.10214	1.6
171.11717	1.9
173.09637	0.8
173.13269	1.1
177.12746	3.0
179.10809	0.9
181.10187	0.8
181.85648	0.7
183.11801	1.0
185.13185	1.4
187.11221	2.4
201.10638	3.4
201.12344	0.6
205.12334	2.0
227.18083	0.9
227.61761	0.7
237.16467	1.0
245.19109	2.4
255.17665	1.1
263.12906	0.8
273.18509	18.8
287.20108	0.6
305.05692	0.8
305.21143	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	305.2111
Annotation	Caribenol B
Peak:m/z	Relative Intensity
53.03941	1.5
55.01860	2.8
55.05514	14.9
57.03436	1.6
57.07048	1.1
59.04999	0.9
61.86082	0.7
65.03922	1.4
67.05509	11.0
69.03431	2.2
69.07074	5.0
69.42574	6.3
71.04996	0.9
78.49496	0.7
79.05498	16.7
81.03401	1.1
81.07065	15.8
83.04968	1.5
83.08614	5.8
85.06532	1.5
91.05489	14.3
93.07050	8.8
94.24116	0.8
95.04991	4.4
95.08608	7.2
96.42212	1.0
97.06514	1.1
97.10181	8.5
98.20770	1.2
105.07037	11.9
107.04916	5.1
107.08595	8.1
109.06522	2.8
109.10158	2.0
111.08117	1.0
115.05442	1.8
116.06236	1.0
117.07041	7.4
119.04945	1.8
119.08596	11.7
121.06496	3.6
121.10154	2.4
123.08071	2.6
125.09637	7.2
129.06989	3.5
130.07819	1.2
130.54356	0.8
131.08566	7.8
133.06519	5.7
133.10136	2.5
135.08020	4.9
135.11708	1.0
143.08565	4.6
145.06451	0.9
145.10114	8.0
147.08040	6.5
147.11702	1.1
149.09636	3.4
153.09090	1.2
157.10132	3.7
159.08052	1.3
159.11736	2.0
161.09647	3.0
162.10315	1.0
163.11194	2.0
169.10196	1.1
171.11725	2.4
173.13242	0.9
175.11153	1.9
181.10048	0.8
203.12677	3.9
255.17627	1.4
263.16403	1.5
273.18536	9.8
287.20013	1.8
305.05579	3.9
305.21124	100.0
306.21341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02414	0.3
53.03942	1.4
55.01871	0.5
55.05515	1.5
57.07070	0.3
65.03954	0.4
67.05515	3.0
69.03433	0.4
69.07068	1.8
69.64920	1.7
70.06611	0.3
71.04982	0.4
72.08140	0.4
76.51518	0.3
79.05501	2.4
80.05045	0.4
81.03423	0.9
81.07061	5.0
83.05003	0.5
83.08660	0.5
84.08165	0.4
85.02940	0.4
85.06509	0.3
91.05484	4.4
93.05806	0.5
93.07052	6.1
94.06570	0.6
95.04980	2.6
95.08614	3.5
96.08142	1.1
97.02876	0.6
97.06535	1.0
97.10179	0.6
97.68664	0.3
99.08062	0.3
103.05538	0.3
105.04544	0.6
105.07040	1.7
106.06615	0.3
107.08611	2.7
108.04494	0.6
108.08138	1.8
109.06529	0.7
109.10157	2.7
111.08045	0.4
119.08622	1.8
121.06499	0.4
121.10133	2.0
122.06049	3.5
123.08100	0.3
123.11738	0.9
124.07608	8.7
126.05555	1.6
129.07057	0.3
131.08586	0.8
133.10127	1.2
135.11697	1.6
136.07587	100.0
137.02422	0.3
137.07988	0.4
137.09668	0.6
137.13251	0.3
138.09129	0.9
139.11176	0.5
140.07066	1.7
143.08562	0.4
145.10138	0.8
146.05978	0.4
147.11723	0.6
149.13243	0.8
150.05536	0.8
152.07086	19.1
157.10223	0.6
159.11705	0.8
161.09645	0.4
161.13271	1.0
162.05594	0.3
163.11107	0.4
163.14835	0.4
164.07080	72.3
165.07303	0.5
170.08165	4.2
171.11819	0.4
173.13342	0.5
175.14856	0.4
175.37064	0.4
177.16368	0.3
182.08145	14.0
185.13213	0.3
193.12326	0.3
244.70723	0.3
263.12888	0.4
269.12753	0.4
269.22568	0.4
287.13898	4.9
287.23636	0.9
305.05496	5.6
305.11200	0.8
305.14874	1.7
305.17856	0.4
305.24765	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	305.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.4
53.03949	0.8
55.05509	0.7
58.74437	0.3
67.05513	2.4
69.03439	0.5
69.07076	1.5
70.03356	1.1
71.05022	0.4
72.85522	0.3
77.03939	0.5
79.05484	1.9
81.03430	0.5
81.07070	3.9
83.04953	0.4
83.08621	0.5
85.06570	0.4
91.05487	4.3
91.10139	0.3
93.07054	4.3
94.06588	0.6
95.04978	2.5
95.08607	2.4
96.08119	0.7
97.02883	0.7
97.06523	1.5
105.07038	1.7
107.08619	1.8
108.08134	1.9
109.06503	0.5
109.10168	2.2
119.08581	0.7
121.10140	1.5
122.06049	3.4
123.11712	1.3
124.07599	9.8
126.05547	0.9
131.08572	0.4
133.10155	1.0
133.26584	0.4
135.08118	0.4
135.11702	1.0
136.07585	100.0
137.07925	0.7
138.09126	0.7
140.07048	1.2
143.08501	0.4
145.10170	0.6
147.11699	0.8
149.13312	0.7
152.07080	17.3
153.01952	0.4
155.02374	0.4
159.11754	0.5
161.13371	0.4
163.11130	0.5
163.14856	0.5
164.07079	76.8
170.08168	3.5
173.13322	0.6
182.08145	14.7
269.12781	0.7
287.11020	0.5
287.13953	4.7
287.23669	0.7
305.05457	4.6
305.11343	0.7
305.14893	1.4
305.24680	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	305.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88296	1.7
53.03944	2.9
55.01869	4.5
55.05521	13.8
57.03180	2.3
57.03440	16.6
59.04988	2.4
61.02926	3.8
65.03928	3.1
67.05238	1.5
67.05516	16.1
69.00743	1.8
69.03435	16.4
69.07058	5.3
69.76918	4.5
69.77337	7.2
71.01370	14.5
71.04722	1.8
71.05003	21.1
73.02930	12.7
73.06516	1.6
75.04487	10.0
79.05479	7.1
81.03411	7.1
81.07055	9.1
81.89994	1.7
83.01348	4.0
83.04985	32.5
83.08623	2.1
85.02911	100.0
87.04482	4.7
91.05470	6.7
93.06547	1.9
93.07043	9.7
95.01363	3.1
95.04990	13.5
95.08625	5.8
97.02914	9.0
97.06548	4.2
98.06062	2.8
101.02350	3.8
101.06017	3.5
103.03934	4.4
105.07030	4.3
107.04932	3.0
107.08603	5.3
109.02894	3.0
109.06518	3.6
109.10151	4.0
111.04461	21.1
113.02381	5.8
113.05987	5.1
119.08571	3.7
121.10198	2.8
123.04402	4.1
125.02354	5.2
125.05958	2.4
125.09630	2.0
127.03872	4.7
129.05482	17.1
131.03386	3.1
131.08559	1.8
135.04395	1.9
135.11772	2.5
137.02318	4.7
139.03923	2.5
141.01836	6.0
143.08504	2.2
147.06523	8.1
149.13243	2.5
151.07579	2.5
153.05443	2.3
155.03395	3.8
156.03625	2.1
157.01311	2.9
157.04977	13.3
159.02896	7.2
159.11700	2.8
161.09560	2.3
165.01826	6.5
169.01309	2.3
171.06520	2.8
173.08081	4.1
183.02867	7.2
187.02391	5.3
188.10342	1.8
195.06525	3.4
201.03926	13.1
213.03957	3.0
213.07510	3.0
217.06932	2.5
241.07111	3.8
251.21553	2.0
259.08105	5.9
269.06592	5.4
273.18488	2.7
287.07623	4.7
304.26266	5.7
305.05493	4.0
305.08765	4.9
305.17789	2.2
305.21136	4.3
305.26636	7.5
306.06851	1.8
323.60101	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	305.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.01866	6.5
55.05509	18.5
56.05036	4.3
57.03444	16.8
57.07063	5.5
57.62743	2.2
58.06611	3.1
59.05002	4.5
61.02917	6.5
65.03941	2.2
67.05508	14.9
69.03430	17.6
69.07059	7.8
71.01343	11.6
71.04983	19.2
71.08636	2.9
71.55770	4.8
73.02914	9.0
74.06069	4.0
75.04474	8.6
79.05494	15.0
81.03410	7.5
81.07063	19.5
83.01343	2.7
83.04980	33.8
85.02909	100.0
85.06541	2.9
87.04440	4.3
91.05458	11.2
93.07040	9.7
95.01344	3.7
95.04963	15.6
95.08609	11.5
95.54280	2.0
97.02890	10.2
97.06520	4.0
97.10181	2.9
99.00789	2.8
99.04445	5.4
101.02388	4.6
101.06058	2.3
103.03952	4.5
105.07030	9.4
107.04940	6.8
107.08585	7.7
109.02890	5.2
109.06501	7.2
109.10167	5.3
111.04453	20.3
113.02391	4.1
113.06013	7.1
117.07008	6.0
119.08557	14.5
121.02933	2.9
121.06496	5.0
121.10149	6.3
122.08157	6.4
122.41001	2.5
123.04395	3.4
123.08086	3.1
125.05956	2.9
125.09636	6.7
127.03907	6.3
129.05469	14.7
129.06969	2.7
131.08580	7.6
133.06470	3.4
133.10115	3.2
135.08064	5.3
135.11676	2.4
137.02339	5.2
141.01874	4.8
145.10109	7.8
147.06506	6.2
147.08025	4.6
147.11636	3.0
149.02338	3.3
149.09610	2.8
151.07578	2.4
157.01340	3.2
157.04982	13.1
157.10097	4.6
159.02901	6.6
159.11751	3.7
161.09607	4.3
163.03961	4.1
165.01834	6.0
175.02371	3.3
179.07085	2.8
181.12332	2.1
183.02934	5.8
187.02353	5.5
195.06470	2.9
201.03897	12.5
205.33308	2.6
213.07570	4.5
219.05136	2.9
241.07103	5.5
242.39063	2.2
251.05518	4.0
259.08218	6.5
263.12802	2.8
269.06619	6.2
273.18463	7.4
287.07504	4.2
287.16397	7.1
287.19879	3.0
290.59482	2.6
304.28473	14.8
305.05301	5.4
305.08636	5.9
305.18039	3.3
305.21133	18.0
305.24429	4.0
305.28766	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	305.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88296	1.7
53.03944	2.9
55.01869	4.5
55.05521	13.8
57.03180	2.3
57.03440	16.6
59.04988	2.4
61.02926	3.8
65.03928	3.1
67.05238	1.5
67.05516	16.1
69.00743	1.8
69.03435	16.4
69.07058	5.3
69.76918	4.5
69.77337	7.2
71.01370	14.5
71.04722	1.8
71.05003	21.1
73.02930	12.7
73.06516	1.6
75.04487	10.0
79.05479	7.1
81.03411	7.1
81.07055	9.1
81.89994	1.7
83.01348	4.0
83.04985	32.5
83.08623	2.1
85.02911	100.0
87.04482	4.7
91.05470	6.7
93.06547	1.9
93.07043	9.7
95.01363	3.1
95.04990	13.5
95.08625	5.8
97.02914	9.0
97.06548	4.2
98.06062	2.8
101.02350	3.8
101.06017	3.5
103.03934	4.4
105.07030	4.3
107.04932	3.0
107.08603	5.3
109.02894	3.0
109.06518	3.6
109.10151	4.0
111.04461	21.1
113.02381	5.8
113.05987	5.1
119.08571	3.7
121.10198	2.8
123.04402	4.1
125.02354	5.2
125.05958	2.4
125.09630	2.0
127.03872	4.7
129.05482	17.1
131.03386	3.1
131.08559	1.8
135.04395	1.9
135.11772	2.5
137.02318	4.7
139.03923	2.5
141.01836	6.0
143.08504	2.2
147.06523	8.1
149.13243	2.5
151.07579	2.5
153.05443	2.3
155.03395	3.8
156.03625	2.1
157.01311	2.9
157.04977	13.3
159.02896	7.2
159.11700	2.8
161.09560	2.3
165.01826	6.5
169.01309	2.3
171.06520	2.8
173.08081	4.1
183.02867	7.2
187.02391	5.3
188.10342	1.8
195.06525	3.4
201.03926	13.1
213.03957	3.0
213.07510	3.0
217.06932	2.5
241.07111	3.8
251.21553	2.0
259.08105	5.9
269.06592	5.4
273.18488	2.7
287.07623	4.7
304.26266	5.7
305.05493	4.0
305.08765	4.9
305.17789	2.2
305.21136	4.3
305.26636	7.5
306.06851	1.8
323.60101	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	305.0657
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.44246	0.6
51.02380	0.8
53.03943	0.8
55.01870	1.3
55.05507	1.0
58.06599	0.9
65.03942	3.2
67.01868	1.7
67.05524	2.8
68.99783	4.8
69.03416	2.3
69.07073	1.6
70.06590	1.8
71.54973	0.9
72.08147	2.0
79.05482	0.7
81.07042	1.8
83.01333	0.7
83.04971	0.9
84.08143	1.8
91.05466	2.6
93.03397	0.9
93.07042	1.4
95.04972	6.2
97.02880	1.6
97.06521	0.9
105.03413	1.6
105.07033	2.1
107.05005	1.0
109.02863	0.7
111.04437	5.6
115.05487	0.8
117.07034	1.4
119.08591	1.2
120.08092	1.6
121.02874	11.9
121.10259	0.6
122.06017	1.3
123.04436	67.0
124.07616	0.6
127.03920	2.4
128.06236	1.1
129.06995	2.4
130.06537	1.7
131.08562	0.8
133.02859	3.1
133.06511	0.8
133.10071	0.8
135.04427	2.4
135.11662	0.6
136.07578	1.3
137.02341	2.3
137.05988	1.1
139.03906	6.7
139.04991	0.6
139.05423	0.7
140.07097	0.9
145.10133	0.7
146.06012	0.7
147.04468	2.2
147.08102	1.0
148.07629	0.8
149.02353	73.0
150.03134	2.4
150.09131	1.2
151.03911	3.9
152.07260	0.5
153.01839	100.0
154.02260	0.9
157.06522	4.5
158.06024	1.5
161.02350	6.1
161.05945	0.8
163.03931	1.6
163.07550	0.7
164.07089	1.9
166.08583	0.7
167.03426	11.8
167.04794	1.0
171.02965	1.2
171.04396	0.7
173.07210	1.0
175.07584	2.0
179.03404	3.8
185.06009	10.3
188.10802	0.9
189.05461	1.7
189.12715	0.9
195.02910	17.0
197.06017	0.9
203.03458	1.5
203.07005	1.0
213.05487	13.4
215.14307	0.5
217.04990	1.1
231.06540	51.6
241.04959	6.9
241.13359	1.4
258.05240	2.2
259.06033	60.7
260.06372	0.8
269.04520	0.9
269.12903	2.4
287.05515	17.6
287.10571	0.8
287.13867	4.0
305.06165	11.5
305.11459	1.4
305.14926	6.0
305.17859	1.6
305.25186	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0658
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02388	1.1
53.03933	1.0
55.01865	2.4
55.05485	0.9
59.04996	0.9
59.79794	0.6
65.03941	3.0
67.01860	2.4
67.05497	3.1
67.91213	0.6
68.99794	4.5
69.03430	2.4
69.07063	1.3
69.67033	1.2
69.67442	3.8
70.06593	1.9
72.08158	3.1
79.05507	1.1
81.03442	1.0
81.07050	1.6
82.06715	0.8
83.04946	0.8
84.08155	1.2
85.02906	1.2
85.36491	0.6
86.06071	3.2
91.05479	2.0
93.07043	1.2
94.06571	0.9
95.04969	4.3
95.08599	1.3
97.02901	2.4
97.06532	1.5
98.06068	0.8
105.03393	2.2
105.07046	1.5
106.10819	0.7
107.04995	1.5
107.08630	1.2
111.00774	1.1
111.04450	5.7
111.08102	0.7
115.05444	1.0
117.05862	0.8
117.06916	0.8
118.06516	0.8
119.08575	1.2
120.08108	0.8
121.02890	12.5
121.10184	0.7
122.06048	1.7
123.04440	62.2
127.03922	2.8
128.06227	0.8
129.07031	2.0
131.04883	0.8
131.08682	0.7
131.32791	0.6
133.02881	3.5
135.04454	2.7
135.30028	0.7
136.07573	1.2
137.02364	1.6
138.05492	0.8
138.09160	0.7
139.03940	4.7
139.05460	1.2
140.07088	1.2
141.07047	0.8
145.06487	0.9
145.10255	0.9
146.08133	1.0
147.04433	2.6
149.02357	72.1
149.09541	0.8
150.03114	1.8
151.03906	4.5
153.01845	100.0
156.09387	0.9
157.06516	4.6
158.06178	0.8
161.02354	6.7
161.06004	1.2
163.03922	1.6
164.07092	2.0
167.03445	10.6
167.04802	1.5
171.02942	1.5
171.11696	0.8
175.04004	1.1
175.07562	2.1
179.03452	4.5
184.05194	1.0
185.05997	9.6
189.05460	1.1
195.02924	17.5
203.03354	1.7
203.07085	1.4
213.05487	11.7
231.06540	51.1
232.06874	0.8
241.04979	6.8
243.14978	1.0
258.05325	2.8
259.06055	57.3
260.06610	0.9
261.12418	0.8
261.15881	1.2
269.09216	0.9
287.05490	15.8
287.08731	0.8
287.10373	2.1
287.13934	3.1
305.06494	10.9
305.11209	3.1
305.14890	7.8
305.25558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0657
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02384	1.0
53.03943	0.8
55.01865	1.1
55.05510	1.0
56.05025	0.7
57.03418	0.7
58.07872	0.6
60.08163	4.3
65.03933	2.8
67.01876	5.0
67.05495	2.5
68.86732	0.5
68.99789	7.0
69.03416	2.6
69.07059	0.7
69.60312	0.5
70.06605	4.2
70.25611	2.4
71.04992	1.2
72.08173	3.3
72.08481	0.6
73.08450	0.6
77.03928	0.8
79.05489	1.1
81.03420	1.6
81.07040	0.6
82.06576	1.2
83.01355	0.7
83.04985	0.9
84.04494	1.0
84.08132	2.5
85.02894	2.2
85.06554	1.0
86.09701	1.7
91.05494	0.9
93.03440	0.9
94.06580	0.8
95.04983	5.2
97.02914	3.1
98.21500	0.7
105.03394	2.1
105.07026	0.8
107.04959	1.2
107.08580	1.2
108.08131	2.1
109.02891	1.1
110.06027	1.1
111.04439	6.0
115.05489	1.0
117.03414	0.7
118.06516	0.8
118.92762	0.6
119.07338	1.1
119.08513	0.6
120.08083	1.6
121.02872	9.7
122.06043	1.3
123.04433	61.8
125.09636	2.0
127.03928	14.2
128.06203	0.8
128.07098	0.9
129.01823	0.6
129.07018	2.7
129.10219	0.7
130.06519	1.2
130.12317	1.3
133.02870	2.8
133.06505	0.7
135.04416	2.5
136.07594	9.6
137.02336	1.9
138.09064	0.6
139.03905	6.6
139.05502	0.8
142.08614	1.2
143.04901	0.7
143.10701	1.4
145.06436	1.0
147.04408	3.3
149.02348	57.8
150.03093	2.1
150.05547	0.9
151.03912	5.3
153.01836	100.0
154.06512	1.9
156.08070	1.0
157.06523	4.1
157.10190	0.8
158.06023	1.0
160.05241	0.7
161.02370	4.6
161.05975	1.0
163.03897	0.7
164.07103	3.6
167.03418	10.7
167.04808	0.9
169.06415	0.6
171.02905	16.8
171.04317	1.0
171.11670	0.6
172.03949	0.6
172.07614	0.7
173.05804	0.9
175.03903	3.0
175.07539	1.8
179.03362	4.7
182.05998	4.6
183.03014	0.7
184.07561	0.7
185.05978	7.6
189.05516	1.2
189.12305	0.8
195.02907	14.9
197.06027	1.2
199.11253	0.9
200.07069	1.9
203.03413	2.9
203.07019	1.2
213.05476	11.9
213.10187	0.8
217.05034	1.0
228.06564	2.1
231.06523	42.5
241.04953	4.2
241.09341	0.5
241.13379	2.5
245.04417	1.8
245.11571	0.8
246.07590	6.4
252.97932	0.9
258.05212	2.7
259.06030	54.9
259.14374	2.1
260.06302	0.7
263.12866	2.2
269.04553	0.9
269.12720	3.5
282.91949	0.6
287.05527	15.7
287.10480	1.5
287.13913	5.0
287.19815	0.7
305.06607	9.1
305.11304	2.2
305.14905	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	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01859	1.8
55.05510	1.4
57.03421	4.1
60.04532	9.3
61.02918	4.3
64.46424	1.3
66.66962	1.3
69.03139	1.2
69.03439	14.8
69.07072	43.5
70.68065	2.7
71.05016	1.8
71.08279	1.8
71.08634	20.1
72.08161	1.9
73.02884	2.8
77.18795	1.3
79.04552	1.4
81.03429	8.9
83.08574	1.3
84.04502	4.8
85.02912	72.8
86.02434	7.0
96.08139	3.7
96.62785	1.3
97.02898	49.4
97.06516	4.8
99.04463	3.3
103.03943	6.7
109.02891	12.0
114.09174	16.7
123.04403	3.0
124.07602	1.5
127.03925	12.4
130.34770	1.4
132.85324	1.3
137.02342	1.8
138.02609	1.8
138.09155	3.9
142.08646	100.0
145.05014	7.7
148.07597	1.3
153.01814	2.4
154.02141	1.8
156.10162	2.4
166.08635	1.3
184.09703	84.5
208.09709	15.6
220.09741	3.1
223.07642	2.5
230.05249	3.7
238.10826	2.6
250.10820	10.5
258.04803	2.2
268.11874	2.1
286.09134	1.6
286.12912	2.5
301.44540	1.2
304.05359	41.3
304.13962	3.7
305.15753	1.5
320.73056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64919	1.1
53.03946	2.2
55.01860	1.5
55.05506	2.4
57.03431	3.8
58.06585	1.6
60.04529	9.3
61.02935	5.8
62.42641	1.2
67.05493	2.9
68.99793	1.7
69.03433	14.9
69.07072	45.6
70.06593	5.7
71.04977	2.3
71.08284	1.5
71.08636	19.4
71.14434	2.2
72.08160	5.5
73.02921	2.8
79.05497	1.2
81.03419	12.1
82.06577	1.6
84.04517	5.4
84.08140	3.7
85.02910	77.1
86.02431	5.9
86.09718	5.2
87.04491	1.4
91.05473	1.2
93.07065	1.1
95.06120	1.1
96.08148	3.4
97.01129	12.4
97.02897	43.4
97.06522	4.7
98.06063	1.5
99.04426	2.2
100.07555	1.6
103.03964	5.7
107.93221	1.1
109.02884	13.0
110.06018	1.2
114.05579	1.3
114.09179	20.1
120.08083	2.9
121.02877	1.5
122.06068	2.2
123.04412	1.9
124.02188	46.8
124.07582	2.3
126.09183	1.7
127.03935	16.7
128.07071	1.4
132.10153	1.1
137.02345	3.4
138.02690	2.9
138.09143	3.9
142.03232	26.6
142.08641	100.0
145.05011	6.7
145.06006	1.2
147.04431	2.1
149.02309	1.9
152.07066	0.9
153.01884	4.9
154.02187	3.4
154.16299	1.1
156.10204	3.2
157.07660	1.1
163.03824	1.2
165.01775	2.1
166.08661	1.7
168.06602	0.9
172.04269	2.5
172.50050	1.0
173.04581	2.3
184.09703	76.8
185.09285	1.9
198.07668	2.9
202.05727	1.4
208.09695	18.3
216.08757	1.2
220.09737	2.2
229.04866	1.1
230.05275	6.0
230.15450	1.5
238.10667	2.1
244.09932	1.3
245.91414	1.1
250.10732	11.0
258.04852	2.8
258.09750	3.5
259.05960	1.4
262.09439	1.1
269.12863	1.2
286.04211	1.7
286.09305	1.5
286.13409	1.3
304.05338	60.2
304.11859	4.0
304.19415	3.1
305.05753	1.7
305.14719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2636
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
51.55145	0.2
53.03944	0.4
55.01862	1.1
55.05267	0.4
55.05517	6.4
57.07058	0.8
65.03928	0.9
67.05510	18.6
69.06722	0.5
69.07069	5.6
70.06575	0.8
71.08638	0.3
71.16385	0.7
72.04504	0.4
79.05500	6.7
81.07063	13.2
82.06554	0.3
83.04983	0.4
83.08633	1.4
84.04509	0.3
84.08125	0.3
85.05285	3.6
85.35027	0.3
86.06062	0.9
88.07642	0.7
89.07968	0.4
91.05489	3.6
91.38556	0.2
92.05791	0.3
93.07057	5.5
94.07372	0.3
95.04961	0.8
95.08617	9.1
97.10183	0.5
98.06063	19.0
99.06832	0.6
105.07032	2.2
107.08585	2.6
108.09093	0.3
109.10152	2.6
110.09666	0.7
111.06792	0.3
111.08087	0.3
112.07604	2.2
117.07061	0.3
119.08599	1.5
120.08138	0.3
121.10149	2.2
123.11707	0.5
124.07603	0.5
124.11248	0.5
125.08344	0.4
126.00509	0.3
126.09161	0.7
129.12253	0.3
131.08574	0.6
133.10146	0.9
134.09692	0.3
135.11728	0.8
137.13223	0.3
138.09137	0.7
140.10707	0.9
147.11667	0.8
148.53792	0.2
152.10725	0.4
154.12248	0.9
161.13300	0.4
166.12254	0.3
168.13852	0.8
180.13794	0.5
182.15390	0.6
194.15443	0.5
196.16995	0.7
208.17012	1.0
210.18634	0.3
218.11504	0.3
222.18521	1.0
236.20091	0.5
248.20197	0.8
302.24930	0.3
304.05353	0.6
304.26370	100.0
304.31161	4.4
305.26712	1.5
318.21017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63362	1.2
51.94784	1.4
53.03948	2.3
55.01877	2.0
55.05498	2.0
57.03432	4.7
58.06610	1.9
60.04532	9.0
61.02915	4.8
67.05484	1.6
69.03426	15.9
69.07073	43.9
70.99355	3.4
71.08635	23.4
72.08136	1.3
73.02911	2.4
74.17311	1.3
79.05477	1.6
81.03410	6.7
84.04523	4.1
85.02910	74.7
86.02426	5.6
86.09679	1.6
86.21000	1.7
93.07060	1.5
94.06591	1.6
96.08138	4.5
97.02896	48.4
97.06531	5.3
99.04466	2.4
103.03955	7.0
109.02888	12.2
110.02415	1.4
114.09172	19.9
115.03925	1.5
122.02720	1.6
123.04436	5.6
124.07592	1.2
127.03919	18.0
138.02673	2.3
138.09158	4.1
142.08640	100.0
143.09026	1.6
145.04959	7.5
153.01852	2.1
156.10228	2.7
180.10254	1.9
184.09702	84.1
201.45924	1.2
202.05811	1.4
208.09662	17.8
220.09732	3.0
223.07520	2.1
230.05333	2.5
238.10858	1.7
250.10780	10.4
286.12823	1.6
304.05356	30.5
304.13980	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	303.2318
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03951	5.8
55.05510	31.8
57.07072	17.5
59.70679	4.4
65.03941	5.1
67.05499	35.2
69.07071	55.6
71.08626	11.8
73.66746	3.8
78.02282	3.8
79.05494	44.7
81.07058	93.7
83.08623	30.0
89.81757	4.2
91.05474	30.8
93.07050	37.1
95.05013	6.2
95.08607	84.7
95.09235	4.6
97.06538	19.8
97.10148	10.2
98.20738	12.8
105.07036	47.0
107.04971	8.8
107.08601	45.5
109.06517	8.0
109.10166	65.4
111.04447	4.7
111.08147	4.8
111.11761	9.0
115.05375	3.7
117.07022	9.9
119.08562	35.5
121.06552	7.9
121.10136	32.5
123.11728	32.7
125.05994	83.7
125.13260	4.6
131.08566	32.6
133.06519	6.4
133.10135	33.4
135.04387	4.7
135.08020	4.4
135.11699	16.3
137.05983	16.4
137.13277	12.7
139.07579	4.8
143.08595	7.3
145.10136	41.2
147.11714	21.4
149.06023	5.3
149.09604	7.2
149.13287	13.9
151.07539	18.2
151.14845	12.5
153.01851	9.5
157.10127	5.8
159.08095	10.3
159.11699	26.2
161.09633	19.1
161.13252	18.2
163.11195	6.4
163.14871	12.4
165.16402	7.4
169.10228	6.0
173.09637	13.2
173.13295	16.4
175.11189	26.2
175.14844	5.2
177.09119	14.2
179.10661	8.0
179.17947	7.2
183.02954	7.9
183.11684	7.5
187.14845	21.5
189.12753	13.6
191.10677	29.7
193.12289	10.1
201.16467	22.8
203.14339	7.2
203.17918	8.0
205.12256	12.0
215.14241	10.5
219.13869	10.0
221.15370	6.7
229.05035	6.7
229.15886	5.7
232.59224	4.0
233.15338	12.6
247.16988	9.9
257.22638	65.0
267.21060	17.5
285.22104	72.5
303.05017	87.0
303.08154	6.3
303.20267	5.4
303.23294	100.0
303.26730	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	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03935	1.9
55.01859	3.3
55.05271	1.6
55.05515	25.7
57.07066	5.0
58.75243	1.3
59.04987	1.9
65.03947	3.2
66.66805	1.2
67.05506	40.0
68.99792	2.4
69.03418	4.4
69.06718	2.3
69.07068	27.4
69.68136	7.5
71.04980	4.5
72.08142	3.1
78.63228	1.2
79.05054	1.9
79.05492	21.6
81.07059	64.0
82.06565	3.0
83.04981	4.0
83.08618	13.1
85.06537	3.3
91.05485	27.5
93.07049	57.4
95.04967	15.8
95.08608	80.3
97.02906	3.2
97.06535	11.1
97.10147	4.6
99.08064	1.7
100.07610	1.5
100.11259	19.6
105.06395	2.4
105.07041	35.9
107.04973	5.1
107.08602	40.1
109.02865	1.5
109.06534	10.0
109.10164	83.8
110.05994	1.6
111.04478	3.5
111.08083	10.8
111.11714	3.0
117.06995	7.7
119.08582	32.9
120.08109	1.7
121.02863	1.5
121.06530	7.7
121.10141	27.7
122.18607	1.4
123.04419	2.6
123.08086	8.2
123.11697	16.5
125.09640	5.7
127.07560	1.6
128.07059	1.6
129.06984	4.0
131.04915	1.6
131.08557	17.2
131.75114	1.4
133.06470	5.2
133.10133	32.0
134.09644	7.1
135.08073	6.8
135.11699	17.2
137.02367	6.4
137.06000	3.8
137.09618	8.6
137.13242	5.2
139.07472	1.7
141.07014	1.6
141.11476	3.6
142.07756	1.8
143.08553	6.4
145.10129	19.3
147.08076	11.8
147.11705	24.2
149.09648	7.2
149.13277	17.1
151.07553	3.9
151.11237	2.1
151.14883	1.7
153.01772	8.2
153.05521	1.6
153.09102	1.5
155.08582	4.4
157.10150	5.3
159.08014	2.6
159.11717	13.8
161.09651	6.4
161.13272	14.4
163.03947	3.3
163.07535	1.9
163.11200	5.3
163.14836	8.7
165.01831	4.4
165.07059	1.9
165.09132	31.2
165.12793	1.7
169.10092	2.8
171.11725	7.6
173.05943	2.7
173.09665	2.0
173.13266	14.9
175.11189	6.0
175.14838	11.8
177.12715	3.7
177.16377	2.3
179.10707	3.2
179.14294	1.9
181.12146	1.3
182.15379	6.0
183.02905	1.7
183.04483	1.9
183.08078	1.7
183.11673	3.2
185.13239	4.9
187.11191	1.7
187.14841	9.9
189.12746	2.7
189.16344	3.7
191.14302	6.1
193.12254	2.1
193.15932	2.5
197.13336	3.6
199.14821	2.8
199.18121	1.7
201.05421	3.7
201.12794	2.4
201.16365	7.6
203.14314	5.5
205.15883	6.2
207.13795	4.1
209.16531	2.3
210.14890	4.7
211.14873	5.9
213.17912	2.0
215.14395	3.1
215.17908	3.7
219.13800	1.8
219.17293	2.3
221.15327	3.6
225.16316	2.8
227.17735	3.1
229.04933	6.3
229.15874	3.7
229.19537	1.6
231.17406	1.7
233.15346	3.2
239.17848	3.0
241.19493	3.3
243.11259	2.6
243.21117	3.6
247.16925	4.0
257.04410	4.5
257.18814	2.3
257.22607	11.0
259.20593	5.9
261.22006	1.6
267.21085	11.4
271.09750	2.3
274.04413	1.7
275.23734	5.2
285.12231	3.4
285.18848	1.5
285.22052	26.8
303.04999	85.5
303.08267	2.9
303.12906	3.7
303.23172	100.0
304.05313	2.6
326.28015	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03935	0.8
55.01865	1.0
55.05306	0.3
55.05515	3.1
55.50657	0.3
56.46511	0.3
57.03437	0.4
57.07061	0.9
59.05000	0.5
65.03930	1.2
67.01867	0.5
67.04953	0.3
67.05506	7.3
68.99792	2.2
69.03420	0.7
69.07076	4.0
69.77502	0.4
70.06586	0.4
70.80935	0.5
70.81262	0.5
71.05003	0.7
72.08146	0.9
79.05495	4.1
79.64394	0.4
81.03413	1.0
81.06577	0.6
81.07057	10.6
83.04993	0.7
83.08634	1.9
85.06540	0.5
87.04443	0.3
91.05489	4.7
92.69714	0.3
93.03413	0.3
93.07047	8.8
95.04986	2.4
95.08614	11.9
97.02895	0.9
97.06534	1.7
97.10179	1.2
99.08127	0.4
102.36583	0.3
103.05424	0.7
105.06390	0.5
105.07040	7.0
107.04952	1.7
107.08610	7.2
109.02897	2.3
109.06514	1.5
109.10155	10.0
111.00150	0.3
111.00810	2.0
111.04476	0.5
111.08110	1.8
115.05434	0.6
117.07004	1.7
119.04965	0.4
119.08591	6.5
121.02868	2.4
121.06519	1.0
121.10155	5.3
123.04420	1.3
123.08080	1.4
123.11736	2.2
125.09620	0.8
127.03922	0.7
129.07030	0.9
131.04910	0.8
131.08588	3.1
133.02863	0.4
133.06516	0.8
133.10136	5.4
135.04443	1.6
135.08058	0.9
135.11705	3.9
137.02351	8.5
137.03424	0.8
137.05984	1.1
137.09636	3.7
137.13257	0.9
139.03870	0.3
139.11237	0.6
143.08554	0.8
145.02870	0.4
145.06471	0.8
145.10118	3.4
147.08061	1.2
147.11691	3.9
149.02341	1.2
149.09579	0.8
149.13251	2.3
150.03094	0.4
151.07527	0.8
151.11189	0.9
153.01836	11.0
153.05479	1.4
154.07861	0.3
155.04895	1.3
155.08557	0.6
156.09167	0.4
157.10149	1.2
159.11699	3.7
161.06020	1.0
161.09615	1.0
161.13252	6.6
163.03903	2.7
163.11166	0.4
163.14861	0.8
165.01826	4.0
165.09122	2.9
165.12772	1.6
166.02574	0.7
169.04977	0.7
169.10115	0.6
171.11707	1.0
173.06024	1.9
173.13289	2.1
175.11147	0.4
175.14873	1.1
177.05508	0.6
177.12715	0.8
179.03325	0.4
179.10648	0.5
183.02896	1.8
183.04449	1.1
183.08012	0.6
183.11711	0.6
185.06023	0.4
185.13222	0.6
187.03970	1.0
187.14856	1.4
188.58331	0.3
189.12657	0.5
189.16400	0.5
191.14307	0.9
197.13248	0.4
199.14818	0.5
201.05487	5.2
201.12730	0.7
201.16367	1.4
203.14296	0.4
205.04955	0.6
205.15921	0.9
207.13834	0.3
211.03935	0.6
211.07651	0.7
211.14894	0.7
215.14510	0.4
219.06546	1.0
228.04128	0.6
229.04965	11.0
229.15936	0.7
241.19464	0.6
243.21059	0.7
247.06055	1.4
247.16856	0.6
257.04459	5.6
257.22623	1.6
258.04797	0.4
259.20633	1.3
261.22192	1.6
267.21112	1.9
270.05139	0.5
271.09805	0.4
274.04745	1.3
275.23734	0.8
285.03967	2.3
285.07266	0.5
285.12131	0.9
285.22098	4.0
302.03922	0.4
303.05005	100.0
303.23160	14.8
304.05292	3.3
308.57178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.232
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03933	2.3
55.01860	3.0
55.05515	21.9
57.03443	1.3
57.07083	7.9
65.03942	2.9
67.05508	32.8
68.99802	2.6
69.03421	3.8
69.07071	36.4
69.14373	1.1
71.04989	3.1
71.08647	1.5
71.43405	1.0
71.55255	1.5
71.55644	1.3
72.08159	1.7
72.71154	1.0
77.03948	1.0
79.05497	24.2
81.03417	1.7
81.07062	53.4
83.04969	4.0
83.08617	13.7
85.06534	3.9
91.05487	23.1
93.03422	1.6
93.06472	2.6
93.07050	48.1
95.04991	9.1
95.08611	71.8
97.02891	3.3
97.06532	12.4
97.10192	8.1
97.10741	1.4
99.08103	1.7
100.11215	1.4
103.05461	4.3
105.03368	1.5
105.07037	50.9
107.04946	4.2
107.08601	61.0
108.08889	1.3
109.02866	1.4
109.06545	8.0
109.10159	55.7
111.00804	2.5
111.04415	2.1
111.08082	2.9
111.11738	3.4
113.06013	3.7
115.05460	2.0
117.07036	7.5
119.04977	2.7
119.06107	1.1
119.08584	52.1
121.02827	1.9
121.06519	5.7
121.10149	54.6
123.04433	3.2
123.08079	6.7
123.11709	15.3
124.51728	1.1
125.05993	4.9
125.09621	3.3
127.03970	1.5
128.06248	2.1
129.07010	3.1
130.07776	1.3
131.04947	2.9
131.08577	19.2
133.02844	2.1
133.06508	1.9
133.10132	36.6
135.04422	2.2
135.08084	9.9
135.11700	28.0
137.02342	10.2
137.05975	7.4
137.09613	12.6
137.13280	6.9
139.03899	3.6
139.07564	1.6
139.11183	1.5
141.01723	1.6
141.07002	3.0
141.09102	2.3
143.08565	5.8
144.09358	1.9
145.06497	1.9
145.10129	29.8
147.04491	1.5
147.08067	3.0
147.11702	36.3
149.05969	3.9
149.09621	7.6
149.13266	25.2
151.07579	4.7
152.06223	1.3
153.01828	11.6
153.05470	11.3
153.06813	2.5
153.09099	1.6
155.08582	4.2
155.10611	7.8
157.10110	7.9
159.07999	2.0
159.10439	2.3
159.11700	30.5
161.05998	3.7
161.09637	5.4
161.13275	31.6
162.14066	1.1
163.03957	5.8
163.07581	5.3
163.11220	2.5
163.14828	28.2
165.01848	2.5
165.05598	1.4
165.07019	4.9
165.09105	1.9
165.12732	2.0
166.08733	1.3
167.07018	1.8
167.10669	1.8
168.05782	1.4
169.10135	3.9
171.11703	3.6
173.05965	2.0
173.09634	3.0
173.13258	23.7
175.11227	3.7
175.14842	15.2
177.05505	2.6
177.09135	2.3
177.12735	2.3
177.16389	4.2
179.10707	3.0
183.02931	4.2
183.04439	1.7
183.08040	4.9
183.11707	2.9
185.13248	5.9
187.11208	3.0
187.14815	19.4
189.09090	3.6
189.12793	3.9
189.16397	8.3
191.10716	2.6
191.14328	1.6
191.17998	3.0
193.06438	1.4
193.12241	3.9
193.15724	1.2
196.05286	1.2
197.05988	2.3
197.13309	1.9
198.06673	1.2
199.14876	5.3
201.05511	4.8
201.12752	2.5
201.16403	18.5
203.10591	1.4
203.14365	3.6
203.17967	19.0
205.12259	2.5
205.15750	1.5
207.13773	8.2
211.07541	4.4
211.14932	3.3
213.16379	2.4
215.14337	4.3
215.17973	7.8
219.06737	1.5
219.13872	3.2
219.17271	1.2
221.15375	5.5
225.16570	1.3
227.17957	1.5
228.04274	1.3
229.05006	9.8
229.16064	5.3
229.19478	2.7
233.15367	9.0
239.07042	1.6
241.19604	2.4
243.10280	3.8
243.17456	5.0
243.21057	12.4
247.16948	10.3
257.04483	4.5
257.18805	1.4
257.22632	31.8
261.18445	3.1
267.21054	5.5
271.09686	6.5
274.04630	1.3
275.09207	1.5
275.23654	3.3
285.04044	1.5
285.07281	1.5
285.12189	2.7
285.22134	25.0
288.05228	3.0
303.05002	95.7
303.08109	6.2
303.12424	4.8
303.16086	2.9
303.19781	6.0
303.23166	100.0
304.05264	3.2
304.23495	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01868	5.4
55.05272	3.3
55.05516	52.4
57.03431	8.1
57.07095	3.2
58.07421	2.0
67.05511	27.6
69.03424	4.6
69.07085	12.6
71.05001	2.3
71.55614	2.7
71.56020	3.0
73.06574	2.0
79.05503	31.6
81.07067	25.6
83.04974	6.1
83.08642	17.0
91.05495	20.0
93.07038	13.9
95.04953	5.8
95.08605	10.6
97.06538	2.5
97.10180	32.3
103.05495	2.2
105.07035	18.5
107.08607	28.6
109.06539	2.6
109.10146	8.7
111.00768	2.9
111.08073	2.5
115.05452	13.9
117.07027	60.5
119.08586	22.3
121.02889	3.0
121.10151	4.4
123.08081	5.7
125.09645	37.0
128.06206	4.8
129.07021	5.8
131.08578	8.7
133.06490	2.0
133.10133	8.0
135.08066	12.7
135.11739	2.6
137.02354	8.6
141.07004	2.5
142.07768	2.9
143.08565	10.5
145.06490	65.5
145.10114	6.5
147.11696	5.8
153.01831	9.0
153.09094	10.0
154.07846	2.0
155.08545	4.0
157.10143	11.1
157.12233	2.8
159.08076	4.7
159.11723	4.3
161.09659	2.2
161.13243	2.8
163.03958	3.2
165.01881	4.7
168.00618	3.2
169.10165	6.0
173.09659	2.4
175.14804	3.1
183.02916	8.8
183.11670	5.6
185.13252	2.5
186.01582	3.1
195.39771	2.3
201.05479	2.7
203.12810	26.5
209.13368	2.1
215.10643	2.7
215.14308	4.6
225.16374	7.3
229.05035	10.7
235.14789	2.5
241.23595	8.6
243.17516	8.1
253.15790	9.1
257.04471	3.6
271.16946	93.1
274.05075	2.6
288.05267	2.1
303.05026	100.0
303.08246	5.6
303.19556	17.0
303.23254	16.1
303.26904	8.0
303.30548	11.2
304.05466	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	303.2319
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03948	2.6
55.01869	2.8
55.05270	0.9
55.05516	11.6
55.21564	0.9
57.03429	1.3
57.07070	3.3
65.03936	3.0
67.01871	1.2
67.05508	35.8
68.99787	1.9
69.03420	4.2
69.06721	1.6
69.07073	18.6
71.04997	3.2
71.55437	1.0
72.08153	2.8
77.03919	1.0
79.05496	21.0
81.03410	2.8
81.07063	49.9
82.07391	0.9
83.04975	2.6
83.06132	0.9
83.08633	7.3
85.06532	2.8
87.04484	1.0
91.05488	22.9
93.03421	1.6
93.07052	40.6
95.04977	11.3
95.08615	51.2
95.60172	0.9
97.02897	3.7
97.06544	8.2
97.10147	3.2
99.08053	1.0
103.05462	1.7
105.07041	31.3
107.04945	3.0
107.08605	39.8
109.02869	2.2
109.06524	8.1
109.10164	61.5
111.00813	1.4
111.08080	6.2
111.11739	1.9
114.09158	1.7
115.05436	1.4
117.07016	8.5
119.04978	1.1
119.08588	28.8
120.82273	1.0
121.02881	2.8
121.06512	3.5
121.10152	24.5
123.04430	2.9
123.08120	4.8
123.11695	8.1
125.09635	4.2
127.03954	1.4
128.06224	1.3
129.07019	4.8
130.07780	1.2
131.04941	2.5
131.08572	15.2
133.06487	3.5
133.09122	1.3
133.10135	23.9
134.07260	1.1
134.09662	10.5
135.04491	1.0
135.08040	4.1
135.11697	20.2
137.02365	6.1
137.05954	2.8
137.09621	8.3
137.13235	2.7
139.11192	1.0
141.06996	1.9
143.08569	3.9
144.09392	1.3
145.06517	2.4
145.10135	16.2
147.08080	6.2
147.11697	17.0
149.02405	1.4
149.05917	1.2
149.09610	4.2
149.13277	9.5
151.07545	2.1
151.11183	2.5
153.01855	10.7
153.05460	2.8
155.04958	1.8
155.08574	3.9
157.10139	5.5
159.08072	2.0
159.11703	13.3
161.09578	2.6
161.13263	15.6
163.03955	2.3
163.11215	3.1
163.14868	5.2
164.61922	1.1
165.01846	3.9
165.07063	1.3
165.09145	8.2
165.12749	2.7
169.06317	1.1
169.10139	2.1
171.02873	1.0
171.11743	4.3
173.06064	1.9
173.09663	1.4
173.13269	11.5
175.11212	2.6
175.14828	8.4
177.05533	1.4
177.12839	2.7
177.16483	1.3
179.10629	2.2
179.14294	2.1
183.02895	3.2
183.08084	2.1
183.11696	4.2
185.13322	5.0
187.03877	1.2
187.14911	5.1
189.12802	2.4
189.16411	3.2
191.10724	1.0
191.14403	2.5
193.12204	1.0
197.13229	3.0
199.14886	3.6
201.05478	4.7
201.12669	1.1
201.16379	7.4
203.14339	2.1
203.17953	3.2
205.15915	3.6
207.13966	1.2
211.07585	2.1
211.14859	4.1
213.16400	1.0
215.14429	2.1
215.17967	2.2
217.15950	1.3
219.17465	1.1
225.09297	1.1
225.16415	2.5
227.17995	1.3
228.04114	1.5
229.04956	10.8
229.15891	1.3
233.15497	1.4
239.17908	1.6
241.19542	3.5
243.21115	2.2
247.06120	2.3
247.16919	2.3
257.04648	4.4
257.18918	1.1
257.22748	7.3
259.20615	3.5
261.22208	1.3
267.21182	10.0
271.09668	2.4
275.23697	3.3
285.03986	2.8
285.12274	2.3
285.22137	22.8
303.05011	100.0
303.08066	3.6
303.20041	2.6
303.23184	69.7
304.05313	3.2
304.23422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.01860	0.9
55.05506	2.8
57.07059	0.6
65.03941	3.7
66.47449	0.5
67.05231	0.4
67.05510	4.8
68.99785	0.7
69.03416	1.3
69.07075	5.2
70.61868	1.4
71.04987	1.5
72.08157	0.5
79.05490	5.3
81.03416	0.9
81.07063	11.9
83.04983	1.1
83.08628	1.5
85.02898	0.8
85.06524	1.1
88.15306	0.4
91.05481	5.6
92.05010	4.4
93.06556	0.7
93.07059	7.6
94.06576	1.0
95.04989	2.8
95.08047	0.8
95.08611	8.4
97.02892	2.0
97.06526	3.7
97.10147	1.4
98.21461	0.6
103.05470	1.3
105.07030	9.3
107.04957	1.4
107.08607	8.5
108.08189	0.6
109.02849	1.0
109.06517	2.1
109.10158	6.4
111.00832	0.8
111.04411	0.6
111.08082	1.1
113.06013	0.6
117.07009	1.2
119.04967	0.7
119.08582	8.9
120.04478	1.2
120.08098	3.3
121.02879	1.0
121.06534	1.1
121.10155	6.7
122.09691	1.0
123.04414	0.7
123.08097	1.1
123.11709	2.3
124.07585	0.7
125.09626	0.7
131.04945	0.8
131.06398	0.5
131.08557	3.3
133.06505	0.6
133.10133	5.6
134.06012	0.7
135.04420	1.5
135.08052	1.9
135.11682	3.8
137.02344	2.6
137.05980	6.7
137.09633	1.6
138.03185	1.0
138.05508	26.7
138.09137	10.9
139.11165	0.6
141.06941	0.6
142.07713	0.7
143.08563	1.7
144.08109	0.5
145.10103	4.4
147.04419	0.7
147.08058	0.6
147.11703	7.5
148.03944	1.2
149.05952	1.1
149.09647	0.8
149.13228	1.5
150.09096	1.2
151.07523	1.3
153.01848	4.4
153.05479	6.5
153.06819	0.7
155.08537	1.4
157.10095	1.3
158.09697	0.6
159.08052	0.7
159.11739	3.4
161.06036	0.6
161.09676	1.3
161.13284	2.8
163.03865	1.2
163.05095	1.2
163.07564	1.8
163.11188	1.3
163.14844	0.7
165.01826	1.8
165.07007	1.5
165.12778	1.7
166.05008	41.3
168.05759	0.8
169.10101	0.8
171.10391	0.7
171.11682	0.7
173.05937	0.9
173.09590	0.6
173.13237	1.8
174.09152	0.7
175.11313	0.8
175.14908	2.4
177.12776	0.6
177.16405	0.7
183.02914	0.8
183.08018	0.7
184.11220	1.5
186.12767	0.9
187.11206	0.7
187.14780	1.6
189.12712	0.8
189.16418	1.1
191.14444	0.6
193.15921	0.7
196.09956	1.3
197.06047	0.5
197.13284	0.6
198.09190	0.9
199.14804	1.8
200.09389	1.4
201.05505	0.9
201.10324	0.8
201.13884	0.7
201.16350	1.2
202.12389	0.7
211.07547	1.4
211.12398	2.4
211.14272	0.7
212.10701	5.1
214.12361	4.4
215.14301	0.7
219.06503	0.6
224.09399	0.7
228.08955	0.9
229.04956	3.4
229.06985	0.6
229.09747	1.3
229.13423	2.3
229.15952	0.6
230.11778	3.3
232.13300	3.0
239.11827	2.2
240.10211	1.8
241.13506	1.1
242.11928	3.3
243.11307	1.1
256.08496	3.0
257.04587	2.3
257.09189	1.2
257.09735	0.8
257.12863	12.8
257.15283	0.5
257.19073	0.6
257.22690	0.8
259.11850	0.7
260.12881	3.2
267.11276	2.3
267.15839	0.7
267.21100	1.3
268.09674	1.0
271.09689	1.6
272.11566	14.2
274.09488	8.7
275.10242	1.9
275.13889	7.1
275.23773	0.9
285.04004	1.0
285.12354	20.2
285.17081	1.2
285.22073	3.1
286.10736	1.4
303.05054	34.1
303.13391	100.0
303.23114	13.2
304.05289	0.6
304.13818	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
56.05052	5.8
56.09553	0.8
57.03436	1.7
58.99596	7.7
59.87524	0.8
62.21923	0.9
64.71087	0.8
67.05513	7.5
68.99778	2.0
69.03427	2.1
69.07072	25.1
69.56666	4.6
70.06601	6.0
70.89523	0.9
72.08160	9.5
73.01153	1.1
73.08494	2.0
76.02229	15.5
79.05496	2.0
81.03416	2.3
81.07076	2.1
84.04512	20.0
84.08151	2.6
85.02888	1.7
86.09708	3.2
88.04002	13.3
91.05486	2.8
93.07051	3.4
95.04981	2.8
95.08605	1.3
96.08134	1.2
97.02921	2.3
97.10139	1.0
98.21413	1.5
99.02682	2.2
100.02216	1.1
101.04250	45.8
102.00135	1.3
102.03775	2.9
103.05473	1.4
107.04939	2.0
109.02884	2.5
109.06519	1.0
110.06060	2.7
110.88360	0.8
111.00833	1.1
111.04439	1.0
112.04017	0.9
112.07626	6.3
117.07082	1.0
118.03214	5.8
118.06519	0.9
121.02856	1.6
122.02776	1.6
123.04430	2.7
124.02213	1.3
124.07567	1.6
125.04255	1.1
127.02161	6.2
127.03950	1.2
127.05799	8.4
130.05008	20.4
135.04375	1.6
135.11833	0.9
136.07616	2.1
137.02376	6.4
137.05977	2.3
138.05533	3.0
139.03906	1.2
140.07065	16.4
142.06857	2.5
143.11877	1.2
144.08017	1.1
144.10257	1.2
145.06506	1.1
145.10130	1.0
147.04482	1.9
147.06841	1.3
149.07124	2.2
151.03940	2.0
152.05313	2.9
152.07106	6.4
153.01823	5.2
153.05493	2.8
155.01669	1.3
155.08519	1.0
161.06020	1.5
162.05493	2.4
163.03954	2.1
164.07162	1.3
165.01863	2.7
167.07144	1.3
168.04839	3.4
170.06363	15.5
172.04285	100.0
178.05035	2.6
180.04794	9.9
182.08281	1.0
183.02921	3.4
196.09976	2.2
197.07454	35.3
198.05865	18.7
201.05476	3.1
206.08354	5.0
211.12282	2.2
213.10252	1.1
215.08514	46.5
221.10818	1.1
223.08730	2.5
224.09470	2.0
226.10802	0.9
229.04886	5.7
234.02141	2.2
237.10124	1.3
238.11069	2.2
239.11807	5.9
240.10245	1.2
241.09883	1.3
244.06409	15.3
257.04562	3.1
257.09595	36.3
257.12842	8.1
261.09079	33.1
267.11328	10.9
270.13638	2.7
272.11673	1.1
285.04120	1.8
285.09113	3.5
285.12247	19.7
303.05045	55.7
303.08685	2.7
303.13480	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	303.0863
Annotation	(3R)-7,2',3'-Trihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
51.02390	0.8
53.03966	0.8
55.01871	1.6
55.05495	0.7
55.32174	0.7
65.03933	2.1
65.99702	0.7
67.05494	1.5
68.99786	5.1
69.03432	1.6
69.07041	0.8
69.56846	1.1
69.57237	5.0
72.08165	1.3
74.50626	0.6
77.03920	1.3
79.05509	1.9
79.96882	0.6
81.03404	3.4
81.07063	1.2
83.04990	0.8
83.55809	0.8
84.36090	0.7
85.02917	1.6
86.09717	1.1
90.96465	0.7
91.05495	1.9
92.88421	0.7
93.03389	1.6
95.04986	2.2
95.08624	0.8
96.02145	0.8
105.03405	4.1
107.04961	24.1
109.02893	15.0
109.10188	0.7
110.06043	0.8
111.00780	1.1
111.04461	13.9
120.04458	0.7
121.02858	3.6
121.06518	1.0
122.05991	0.9
123.04417	2.0
125.02371	0.9
125.06024	2.1
126.03149	1.3
127.03926	0.9
129.07065	0.9
131.04916	1.4
133.02861	27.1
134.03703	1.1
134.06020	0.8
135.04428	41.1
137.02344	27.9
137.03406	1.4
137.05981	7.9
138.09186	0.8
139.02913	1.5
139.03906	15.8
140.04694	2.9
141.05489	1.4
141.06924	1.6
142.08597	1.2
145.06511	1.6
147.04416	4.1
149.02361	1.5
149.05969	2.1
153.01863	10.4
153.05466	16.8
153.46005	0.8
155.04855	1.5
157.06450	0.8
157.36411	0.7
161.02348	6.5
161.05945	0.9
162.05511	8.9
163.03914	57.0
164.04680	3.2
165.01860	4.1
165.05490	23.6
168.05688	1.5
169.04974	7.5
169.06483	3.3
172.05214	1.7
173.05988	3.7
177.05440	1.1
183.02896	2.3
183.04388	1.7
185.05992	2.2
186.06789	1.9
187.03906	1.1
187.07654	1.1
191.03339	0.8
193.04987	4.4
196.05244	2.2
197.05992	9.3
200.04691	3.6
201.05502	9.7
213.05510	3.9
214.06274	3.2
215.07040	3.9
224.04704	1.1
225.05467	8.3
229.05014	11.1
229.08559	16.4
239.11871	1.0
241.05016	1.2
242.05725	5.4
243.06497	4.2
247.06166	1.3
252.04221	1.0
253.04971	7.2
257.04581	4.9
257.08054	9.6
269.04523	2.1
270.02283	0.8
270.05240	24.8
271.05869	2.5
274.04691	2.0
275.09137	8.6
285.04095	2.4
285.07574	62.9
285.12592	2.3
286.07681	0.9
303.04999	100.0
303.08643	90.3
303.12656	2.4
303.13824	2.3
303.23022	1.0
304.05310	2.9
304.08792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03931	0.2
55.01869	0.4
55.05508	0.2
57.07071	0.4
65.03926	0.5
67.01855	0.3
67.05502	0.6
68.99785	2.0
69.07057	0.3
71.08633	0.2
71.55607	0.2
79.05480	0.4
81.03409	0.8
81.07055	0.5
91.05473	0.5
93.03401	0.4
93.07047	0.4
94.00103	0.2
95.04980	1.2
95.08597	0.4
96.71832	0.2
105.03413	0.2
105.07047	0.7
107.04974	0.3
107.08599	0.4
109.02890	1.1
110.03680	0.2
111.00806	2.4
115.05434	0.3
117.07021	0.6
119.08562	0.5
121.02882	2.1
121.10150	0.2
123.04435	0.7
127.03989	0.4
131.04926	0.3
133.10133	0.3
135.04440	0.3
137.02354	7.8
137.03412	0.6
145.06479	0.7
145.10136	0.3
146.63367	0.2
147.04454	0.4
149.02316	0.9
153.01833	10.7
155.04927	0.8
159.04427	0.2
161.05998	0.8
163.03918	1.2
165.01833	3.9
165.55696	0.2
166.02605	0.6
168.00554	0.2
173.06029	1.5
179.03435	0.5
183.02902	2.0
183.04453	0.9
187.03917	0.7
191.03355	0.3
195.02852	0.4
201.03752	0.2
201.05455	4.1
205.05003	0.5
207.02969	0.2
211.03871	0.3
219.06511	0.4
228.04178	0.7
229.04971	8.6
237.04530	0.2
239.03424	0.5
241.23584	0.3
247.05971	1.1
257.04459	4.5
274.04749	1.3
275.05435	0.4
285.03992	2.5
302.30493	0.8
303.04999	100.0
303.23163	0.7
303.30826	0.6
304.05386	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71537	0.2
55.01861	0.3
57.07069	0.4
57.62425	0.2
65.03931	0.6
67.01851	0.5
67.05490	0.9
68.99795	1.9
69.07064	0.3
71.08605	0.2
71.55808	0.3
79.05488	0.4
79.67280	0.2
80.56335	0.2
81.03419	0.8
81.07061	0.6
83.08629	0.2
88.07606	0.3
91.05476	0.8
93.03393	0.3
93.07040	0.3
95.04956	1.0
95.08606	0.9
105.07018	0.9
107.08609	0.7
109.02879	0.9
109.10183	0.3
111.00800	1.7
117.06999	0.7
119.08558	0.7
121.02859	2.1
121.10155	0.4
123.04434	0.7
127.03908	0.4
131.04948	0.3
133.10150	0.5
135.04419	0.6
135.08040	0.3
137.02356	8.4
137.03419	0.5
145.06506	0.8
145.10120	0.3
147.11670	0.5
149.02327	0.9
153.01839	10.2
155.04910	1.0
159.04434	0.3
159.11630	0.3
161.06000	0.7
163.03926	1.3
165.01851	3.9
166.02605	0.5
168.00557	0.5
173.05991	1.7
173.13239	0.3
177.05481	0.3
179.03395	0.3
183.02885	2.3
183.04454	1.0
186.01677	0.4
187.03931	0.8
191.03374	0.5
195.02812	0.3
201.05484	4.9
205.04997	0.6
211.04044	0.3
213.58029	0.3
215.03448	0.3
219.06468	0.6
228.04152	0.8
229.04971	9.6
239.03293	0.6
247.06099	1.2
253.36362	0.3
257.04492	5.2
274.04630	1.5
285.03967	2.4
298.91943	0.3
302.30505	1.4
303.05005	100.0
303.23215	1.0
303.30844	1.0
304.05322	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.96440	0.1
65.03961	0.7
67.01853	0.4
67.05497	0.4
68.99792	2.4
69.03426	0.2
70.95477	0.3
70.95830	0.3
80.08146	0.2
81.03413	0.8
83.92271	0.1
93.03410	0.6
95.04982	1.0
97.02916	0.2
97.09600	0.1
105.03378	0.2
105.07036	0.2
107.04953	0.2
109.02882	1.2
110.03697	0.2
111.00810	1.8
115.05444	0.3
117.07028	0.3
121.02875	2.2
121.47157	0.1
123.04432	0.6
127.03906	0.4
128.06284	0.2
129.06992	0.2
131.04919	0.4
133.02858	0.3
133.21324	0.1
135.04388	0.5
137.02351	7.7
137.03391	0.5
145.06516	0.9
149.02342	0.9
153.01834	11.4
155.04915	1.0
155.06091	0.3
159.04384	0.3
161.06023	0.9
163.03912	1.3
163.07487	0.2
165.01843	3.9
166.02699	0.6
171.02919	0.2
171.04440	0.2
173.02299	0.2
173.05998	1.5
177.05495	0.3
179.03391	0.4
183.02879	1.6
183.04456	0.8
187.03978	0.9
191.03427	0.4
195.02940	0.5
201.05470	4.5
202.05812	0.2
205.04980	0.3
207.02921	0.3
211.03929	0.3
213.05499	0.2
215.03387	0.3
219.02988	0.3
219.06589	0.7
228.04237	0.8
229.04971	9.4
230.05424	0.2
232.03629	0.2
239.03409	0.7
246.05260	0.2
247.06017	1.2
257.04468	5.4
258.04849	0.2
274.04782	1.6
275.05600	0.2
277.89697	0.2
285.03958	2.5
303.04999	100.0
304.05350	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53568	0.3
53.03947	0.3
55.01876	0.5
65.03922	0.5
67.01852	0.4
67.05508	0.7
68.99796	3.1
71.05006	0.3
71.10654	0.2
71.10978	0.5
72.04089	0.3
81.03400	1.0
86.69592	0.3
93.03387	0.9
93.07053	0.3
95.04981	1.3
97.02916	0.3
97.06537	0.3
105.03387	0.7
105.07026	0.3
107.04982	1.4
108.57341	0.3
108.81532	0.3
109.02892	2.3
111.00809	2.6
111.04446	1.1
115.05447	0.4
117.06995	0.5
121.02883	2.4
123.04453	1.0
127.03940	0.6
131.04897	0.6
133.02861	2.2
135.04417	3.4
137.02357	10.5
137.03400	0.6
137.05949	0.6
139.03958	1.3
140.04681	0.4
145.06494	1.2
149.02336	0.8
153.01839	10.2
153.05493	1.2
155.04893	1.3
161.02357	0.6
161.05952	0.5
163.03934	5.0
164.04657	0.3
165.01825	4.4
165.05527	1.6
167.03302	0.3
169.04977	0.8
173.05992	1.7
177.05559	0.6
179.03372	0.3
183.02907	1.5
183.04477	0.8
185.05997	0.4
187.03949	1.0
191.03423	0.4
191.07172	0.3
193.04927	0.3
195.02895	0.4
197.06017	0.7
200.04544	0.3
201.05473	4.5
205.04953	0.5
211.04028	0.3
211.69931	0.3
213.05519	0.6
214.06175	0.4
219.03038	0.3
219.06598	0.4
225.05545	0.6
228.04169	0.8
229.04987	9.6
229.08681	1.0
239.03427	0.3
242.05725	0.3
247.06033	1.2
253.04848	0.3
257.04440	5.2
257.08163	0.6
267.11172	0.4
270.05292	1.9
274.04831	1.2
275.05484	0.6
275.09094	0.6
285.04010	2.3
285.07651	4.0
285.12292	0.5
298.46506	0.3
303.05023	100.0
303.08438	6.2
304.05469	1.6
304.08560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03945	0.3
55.01871	0.4
55.05501	0.4
56.05892	0.1
57.07073	0.2
65.03956	0.7
67.01859	0.4
67.05512	1.0
68.99783	2.1
69.03423	0.4
69.07056	0.4
70.08051	0.5
79.05486	0.5
81.03416	1.1
81.07058	1.3
91.05473	0.5
93.03410	0.7
93.07027	0.8
95.04965	1.3
95.08617	1.5
97.02892	0.2
97.10178	0.2
98.21491	0.2
103.05480	0.2
105.03445	0.2
105.07022	0.9
107.04955	0.9
107.08603	0.7
109.02880	1.6
109.10165	1.2
110.03645	0.2
111.00812	2.1
111.04401	0.2
111.08109	0.2
115.05433	0.2
117.07018	0.5
119.04956	0.2
119.08561	0.7
121.02866	2.2
121.06574	0.2
121.10146	0.7
123.04442	0.7
123.08094	0.1
123.11685	0.2
124.11882	0.1
127.03909	0.5
128.06207	0.3
131.04950	0.4
131.08565	0.3
133.02849	0.2
133.06506	0.2
133.10136	0.4
135.04419	1.9
135.11678	0.5
137.02347	8.2
137.03316	0.3
137.05951	0.2
138.03139	0.1
145.02832	0.3
145.06479	0.8
145.10161	0.3
147.04402	0.2
147.08026	0.2
147.11679	0.6
149.02344	1.0
149.13258	0.3
153.01839	10.6
153.05354	0.9
155.04948	1.3
155.06049	0.2
157.06487	0.2
159.04431	0.3
159.11700	0.4
161.05959	0.7
161.07173	0.2
161.13260	0.6
163.03920	2.5
163.14819	0.2
165.00528	0.3
165.01842	3.8
165.09122	0.4
166.02611	0.6
169.04982	0.4
171.11734	0.3
173.06023	1.6
173.13281	0.4
175.14842	0.3
177.05482	0.3
179.03403	0.5
179.10638	0.1
183.02887	1.5
183.04463	0.9
185.06001	0.2
187.03897	1.1
187.14838	0.2
191.03421	0.3
191.07034	0.2
195.02907	0.5
201.05479	4.7
201.16454	0.1
203.03268	0.2
205.04907	0.3
207.02879	0.3
211.03883	0.4
213.05667	0.2
217.05002	0.2
219.03052	0.2
219.06534	0.5
228.04152	0.7
229.04970	9.9
231.02937	0.2
233.04422	0.2
239.03351	0.4
245.04420	0.2
247.06013	1.5
257.04456	4.8
257.22745	0.3
267.03366	0.1
267.21066	0.2
270.05161	0.3
274.04715	1.2
275.05423	0.3
285.04034	2.3
285.07480	0.4
285.12384	0.2
285.22202	0.4
303.05002	100.0
303.23080	1.9
304.05313	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68055	0.1
55.01859	0.5
65.03926	0.7
67.01855	0.3
67.05479	0.3
68.99788	2.4
69.03427	0.3
69.68473	0.9
79.05427	0.2
81.03410	0.8
93.03405	0.6
95.04976	0.8
98.21458	0.3
103.05471	0.3
105.03394	0.3
107.04919	0.2
109.02888	1.3
110.03642	0.2
111.00802	2.7
111.04498	0.1
115.05491	0.2
117.07011	0.5
119.83557	0.1
121.02872	2.4
123.04410	0.7
127.03918	0.6
131.04916	0.3
133.06494	0.2
135.04414	0.5
137.02348	9.1
137.03410	0.7
145.02885	0.2
145.06509	1.2
149.02405	0.8
153.01834	11.1
154.58009	0.1
155.04955	1.1
157.06444	0.2
159.04376	0.3
161.06012	0.9
163.03883	1.4
165.01839	4.5
166.02634	0.5
171.04256	0.2
173.05986	1.7
177.05524	0.3
179.03419	0.3
183.02885	1.7
183.04439	1.0
183.26843	0.2
187.03906	1.1
191.03406	0.4
191.07016	0.2
195.02946	0.4
201.05478	5.1
203.03403	0.2
205.04982	0.5
207.02934	0.4
211.03967	0.4
213.05544	0.2
215.03406	0.2
217.04987	0.2
217.12968	0.2
219.02931	0.3
219.06540	0.6
228.04178	0.8
229.04956	10.6
232.03639	0.3
239.03430	0.4
245.04425	0.3
246.05310	0.2
247.06058	1.5
257.01764	0.3
257.04443	5.6
266.36884	0.2
274.04700	1.7
275.05505	0.4
277.71646	0.2
285.03955	3.0
300.30591	0.2
303.04990	100.0
304.05344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.62081	0.2
55.01868	0.3
65.03931	0.6
67.01874	0.2
67.05504	0.3
68.99796	2.4
69.03429	0.3
69.07060	0.3
70.34528	0.6
72.08141	0.2
78.15694	0.2
80.54221	0.1
81.03423	0.9
85.02938	0.3
86.09724	0.2
93.03403	0.5
95.04976	1.0
97.02895	0.3
101.04319	0.2
103.05458	0.2
105.03410	0.3
105.07054	0.2
107.04944	0.3
109.02894	1.0
109.84580	0.1
111.00809	1.8
115.05447	0.3
117.06998	0.5
119.40974	0.1
121.02884	2.2
122.06023	0.2
123.04469	0.7
127.03907	1.0
131.04890	0.5
133.02866	0.2
133.06566	0.2
135.04414	0.6
137.02354	9.1
137.03375	0.4
137.05968	0.3
145.06502	0.6
149.02371	0.8
151.03903	0.2
153.01839	10.3
155.04884	0.8
155.35440	0.2
157.06516	0.2
161.05972	0.7
163.03918	1.5
165.01845	3.9
166.02612	0.4
167.03317	0.2
172.04263	0.4
173.05969	1.3
177.01855	0.2
177.05508	0.4
179.03448	0.4
183.02911	1.3
183.04459	1.0
187.03934	1.1
187.80011	0.1
191.03438	0.5
191.07033	0.2
195.02892	0.5
200.04712	0.2
201.05482	4.8
203.27219	0.2
205.05008	0.5
211.03763	0.3
213.05495	0.3
214.25728	0.2
215.03525	0.2
215.08647	0.3
216.78793	0.2
219.03105	0.3
219.06561	0.5
228.04227	0.6
229.04977	9.1
230.05406	0.2
232.03716	0.2
239.03421	0.4
247.05998	1.3
257.04486	5.3
267.11368	0.3
274.04794	1.4
275.05423	0.4
285.03986	2.2
285.12424	0.3
303.05008	100.0
304.05292	1.8
320.05743	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	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
65.03931	0.4
67.01868	0.3
67.05472	0.2
68.99792	1.9
70.84243	0.6
73.08684	0.2
81.03403	0.6
85.32549	0.2
93.03409	0.7
95.04967	0.7
109.02869	0.8
110.03735	0.2
111.00826	1.6
115.05442	0.3
117.07024	0.2
121.02886	1.8
123.04418	0.5
127.03944	0.5
131.04944	0.3
131.06999	0.2
135.04413	0.4
137.02354	7.0
137.03394	0.5
145.06493	0.6
149.02361	1.0
153.01842	9.4
155.04926	1.1
159.04442	0.3
161.05983	0.7
163.03896	1.1
165.01860	3.7
166.02574	0.4
173.05994	1.5
177.05479	0.2
179.03448	0.4
183.02901	1.6
183.04443	0.8
187.03896	0.8
194.02058	0.2
195.02838	0.4
201.05482	4.2
205.04985	0.3
207.02911	0.3
213.05507	0.2
215.03375	0.3
217.05116	0.2
219.06540	0.5
228.04182	0.7
229.04964	8.5
232.76709	0.2
239.03418	0.5
245.04655	0.2
246.05376	0.3
247.06049	1.5
257.04489	4.7
261.04089	0.2
263.35748	0.2
274.04749	1.4
275.05472	0.3
285.03989	2.2
286.04697	0.3
303.05005	100.0
304.05371	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.3
54.09075	0.1
55.01864	0.3
56.05022	0.3
65.03941	0.4
67.01852	0.4
67.05502	0.5
68.99799	2.4
69.03427	0.6
69.07080	0.9
70.06586	0.4
71.07118	0.2
71.07438	0.2
71.10326	0.2
72.08156	0.7
76.02213	0.3
79.05492	0.3
81.03419	0.7
82.25721	0.1
84.04516	0.7
84.08147	0.3
85.02888	0.3
86.09741	0.3
87.10016	0.2
88.03988	0.5
91.05500	0.3
93.03401	0.7
95.04984	0.7
95.08673	0.1
97.02887	0.4
101.04262	1.1
103.05520	0.2
105.03369	0.2
105.06999	0.2
107.04961	0.3
109.02883	1.3
111.00832	1.7
111.04460	0.1
115.05460	0.2
117.07031	0.4
119.04994	0.2
121.02872	2.1
122.06060	0.3
123.04443	0.8
123.45718	0.1
124.02216	0.2
127.02156	0.2
127.03974	1.0
127.05775	0.2
130.05034	0.8
131.04932	0.5
133.02864	0.2
133.06563	0.2
135.04427	0.7
135.89493	0.1
137.02357	8.6
137.03403	0.5
137.05981	0.4
138.05547	0.2
140.07080	0.5
145.06503	0.8
147.04381	0.2
149.02365	1.1
151.03888	0.3
153.01836	9.5
153.05476	0.2
155.04965	0.9
155.06039	0.2
159.04303	0.2
161.05986	0.8
163.03911	1.3
164.07117	0.3
165.01849	4.1
166.02640	0.6
167.03557	0.1
170.06270	0.5
171.02927	0.2
172.04297	3.4
173.05984	1.6
177.05418	0.2
179.03462	0.3
182.08231	0.2
183.02899	1.6
183.04460	1.0
187.03938	1.1
191.03485	0.4
195.02951	0.4
197.07486	1.0
198.05855	0.5
201.05487	4.4
205.04935	0.5
207.02902	0.2
211.03952	0.4
213.05536	0.2
215.08566	1.3
217.04926	0.2
219.02974	0.3
219.06525	0.4
228.04160	0.7
229.04990	9.4
239.03510	0.2
239.11749	0.2
244.06473	0.3
247.05971	1.3
257.04489	4.9
257.09586	0.9
257.12692	0.3
258.05066	0.3
261.09094	1.0
267.11389	0.3
274.04755	1.3
275.05386	0.3
285.03995	2.1
285.12390	0.6
303.05008	100.0
304.05328	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80828	0.2
55.01871	0.3
55.05521	0.2
65.03939	0.6
67.01861	0.5
67.05483	0.4
68.99792	2.2
69.32864	1.2
69.33285	0.6
71.01365	0.2
79.05511	0.2
81.03407	0.8
81.07057	0.5
91.05502	0.2
93.03436	0.9
93.07035	0.3
95.04957	1.1
95.08616	0.3
97.02895	0.2
103.05451	0.2
105.06991	0.4
107.04906	0.2
107.08599	0.3
109.02883	1.2
111.00811	2.0
115.05495	0.2
117.07040	0.5
121.02876	2.5
123.04421	0.8
127.03903	0.4
131.04950	0.4
133.02888	0.3
135.04402	0.6
137.02350	8.1
137.03333	0.3
138.02577	0.2
145.02888	0.2
145.06483	0.7
149.02357	0.8
149.05954	0.2
153.01834	10.3
153.05499	0.5
155.04893	1.0
157.06493	0.2
159.04388	0.2
161.05989	0.6
163.03899	1.2
165.01846	4.8
166.02603	0.5
167.03371	0.3
173.05997	1.5
177.05501	0.3
179.03381	0.5
183.02892	1.8
183.04430	0.7
187.03885	1.0
191.03442	0.5
191.07156	0.2
195.02921	0.6
201.05475	4.8
205.04970	0.4
207.02817	0.2
219.02933	0.3
219.06642	0.3
228.04158	0.6
229.04965	9.8
239.03473	0.3
246.05321	0.3
247.06099	1.0
257.04489	4.8
274.04785	1.3
275.05325	0.5
285.03946	2.7
303.04999	100.0
304.05331	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	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13704	0.4
56.96549	0.6
62.62574	0.3
64.83760	0.3
68.90849	0.3
70.03468	1.5
70.79046	0.3
72.67172	0.3
98.97551	2.1
101.00880	1.7
116.98625	1.7
119.01925	6.8
133.72272	0.4
134.99760	0.6
137.02940	0.8
158.99884	1.1
177.00964	14.4
178.01071	1.5
179.00742	0.6
182.99837	0.5
183.02853	0.5
201.00980	1.1
217.04086	2.7
219.02026	23.3
220.02119	2.2
221.01764	2.5
225.00871	2.1
243.02008	8.4
244.02376	0.9
261.03070	100.0
262.03250	9.6
263.03012	1.3
266.03876	0.4
275.04562	1.7
277.00818	0.4
279.00732	1.3
279.98221	0.6
283.00006	0.9
284.04691	2.2
284.99725	3.0
301.01102	1.9
302.97394	0.6
303.00858	3.9
303.05045	2.6
315.49725	0.4
320.97632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Viscidulin I
Peak:m/z	Relative Intensity
50.22594	0.2
51.02386	0.2
53.03938	0.5
54.30983	0.2
55.01862	1.0
55.05508	1.9
57.03442	0.4
57.07066	0.5
61.01135	0.9
65.03928	1.0
67.01864	0.5
67.05509	3.9
68.99788	2.8
69.03402	0.7
69.07069	2.4
70.06585	0.2
70.85060	0.5
70.85392	0.3
71.05000	0.5
72.04518	2.2
72.08143	0.7
78.03796	1.7
79.05070	0.2
79.05500	3.6
81.03416	1.7
81.06574	0.5
81.07056	9.4
83.04994	0.4
83.08614	0.9
85.02921	0.3
85.06547	0.5
86.09673	0.3
90.05535	0.5
91.05481	4.1
92.05025	0.2
93.03402	0.9
93.07049	5.4
94.06548	0.2
95.04962	1.9
95.08609	5.5
97.02882	0.6
97.06515	1.1
97.10169	0.8
102.03770	2.4
103.05465	0.7
105.03391	0.9
105.07038	6.0
107.04959	5.9
107.08598	4.1
109.02892	4.3
109.06520	3.7
109.10156	3.6
111.00806	1.9
111.03770	0.2
111.04431	1.3
111.08101	0.7
113.67822	0.2
114.03762	1.0
115.05420	0.3
117.07040	1.2
119.04935	1.5
119.08580	4.8
120.04783	0.5
120.08112	1.1
121.02859	2.3
121.06499	0.6
121.10136	3.0
123.04466	1.7
123.08090	0.5
123.11729	1.2
125.05993	0.3
125.09617	0.9
126.03141	0.9
127.03884	0.3
127.07557	0.3
127.49879	0.2
128.06207	0.3
129.07007	0.4
131.04933	0.8
131.06401	1.1
131.08557	1.9
132.04793	2.4
133.02861	0.7
133.06480	0.4
133.10121	3.3
134.09650	1.4
135.04417	9.9
135.08049	0.6
135.11679	1.9
136.07587	0.6
137.02345	10.4
137.03391	0.6
137.05972	8.9
137.09593	0.6
138.03117	1.0
138.05508	1.6
138.09119	1.1
139.03903	0.4
139.07564	0.2
139.11163	0.3
141.05467	0.8
143.08549	0.5
143.10687	0.3
145.02855	0.5
145.06476	1.0
145.10107	2.4
147.04424	0.5
147.08121	0.2
147.11691	4.6
148.07536	0.2
149.02338	1.0
149.06180	0.5
149.07430	5.5
149.09642	0.8
149.13239	1.4
150.03162	0.2
151.07529	0.4
151.11185	0.5
153.01834	10.3
153.05458	6.1
153.09053	0.3
155.04965	1.3
155.08592	0.3
157.06519	0.3
157.10136	0.6
159.04373	0.5
159.11684	2.4
161.05968	1.1
161.09601	0.5
161.13257	3.4
163.02541	0.5
163.03912	8.8
163.07565	1.3
163.11174	1.0
163.14865	0.8
165.01830	4.0
165.05479	0.8
165.06906	0.3
165.09105	0.3
165.12791	0.3
166.02675	0.7
166.04990	1.7
166.08635	0.5
168.05609	0.3
168.30989	0.2
169.04980	4.0
169.06395	0.3
169.10133	0.3
171.02986	0.3
171.11734	0.3
173.05963	1.8
173.13269	1.5
175.05394	0.4
175.11172	0.5
175.14845	1.0
177.05466	0.7
177.12740	0.6
177.16403	0.3
179.03427	0.5
180.10229	0.6
181.06416	0.4
182.10722	0.2
183.02885	1.3
183.04427	1.0
183.08057	0.5
183.11758	0.3
184.09779	0.3
185.13272	0.4
187.03951	1.0
187.14839	1.5
189.12729	0.3
189.16435	0.4
190.08612	0.4
191.03392	0.3
191.07140	0.3
191.14368	0.3
193.05002	0.3
195.02879	0.7
196.05202	0.3
197.05998	1.0
198.09171	0.5
198.11238	0.5
199.14841	0.5
201.05463	4.5
201.10248	0.3
201.14005	0.3
201.16470	0.6
203.14340	0.2
205.04979	0.6
205.12248	0.3
207.13774	0.4
208.09746	0.6
209.15514	0.3
211.03963	0.4
211.07637	0.5
211.14844	0.3
212.10692	0.5
213.05476	0.5
214.08922	0.3
214.12321	0.5
215.07126	0.5
215.14294	0.3
215.17990	0.4
218.87086	0.2
219.02940	0.3
219.06650	0.8
225.05493	0.6
225.16354	0.3
226.10774	2.6
228.04097	0.6
229.04959	10.4
229.08536	0.4
229.13402	2.0
229.15675	0.4
229.19551	0.3
230.05301	0.4
239.03487	0.4
240.10263	0.2
242.05754	0.3
243.11287	0.9
243.17480	0.3
245.04555	0.3
247.06007	1.3
247.16797	0.5
256.08459	0.4
257.04480	5.1
257.08612	0.3
257.12860	5.8
257.22607	1.3
267.11560	0.5
267.21176	0.8
269.04449	1.3
270.05264	1.6
271.09781	0.5
272.11563	0.5
274.04807	1.5
274.09457	0.4
275.05743	0.5
275.09174	1.8
275.13864	0.4
285.03983	2.6
285.07611	1.9
285.12357	3.0
285.22159	2.5
303.05029	100.0
303.08575	9.1
303.13440	10.1
303.23129	9.5
304.05392	1.7
304.08762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73375	2.7
53.03940	7.4
55.01873	5.8
55.05513	8.6
56.05040	3.4
57.03429	6.9
58.06591	3.7
61.02925	6.8
65.03956	3.0
66.79977	2.5
67.05511	9.0
67.66969	2.8
68.05024	3.1
69.03437	19.0
69.07056	5.7
70.06602	16.9
71.05038	3.3
71.17522	5.0
72.08153	30.0
73.02930	6.1
78.47269	3.2
79.05499	7.5
81.03428	15.8
81.07056	13.2
83.08637	2.8
84.04526	4.7
84.08161	7.8
85.02433	5.9
85.02914	91.3
86.09711	13.0
86.49847	3.0
91.05482	6.8
94.06581	5.8
95.04966	10.4
96.04504	3.0
97.02901	57.0
98.09657	4.3
99.04466	4.0
100.03919	3.2
103.03916	4.2
108.08141	20.1
109.02889	17.6
110.06056	2.9
110.07161	3.8
112.07600	3.0
119.05008	3.9
122.06019	15.3
123.04421	4.7
124.07586	4.8
125.06012	5.3
126.05515	8.1
126.09156	5.8
127.03914	16.9
134.05948	4.0
136.07587	26.4
137.02359	4.9
138.05495	3.4
140.07088	52.0
143.11781	6.9
145.04990	9.4
145.10098	3.6
150.09175	4.8
152.07101	25.5
153.01849	6.0
153.05478	4.9
154.08597	6.9
162.05525	15.9
164.07101	26.4
165.01807	4.0
167.03439	4.3
171.11406	3.4
178.08658	19.5
182.08148	100.0
193.12328	3.5
203.08215	4.6
206.08156	47.0
210.14871	3.9
218.08182	3.0
229.05042	4.9
248.09219	9.6
257.12793	4.7
258.11255	3.5
267.11386	3.7
285.12457	5.9
287.05087	13.7
302.07410	26.4
302.11389	10.7
302.14767	3.8
303.05014	47.7
303.13394	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	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13918	1.1
53.03952	1.4
57.03421	3.1
61.02910	3.2
64.01239	1.3
65.03928	1.9
67.05511	35.3
69.03435	19.0
69.07066	10.6
70.06593	1.9
71.01350	1.0
71.04454	2.1
71.04974	1.1
71.13895	1.1
72.08153	1.8
73.02911	1.3
81.03422	5.8
84.04488	2.2
84.08133	3.6
85.02913	40.7
86.09686	4.8
94.06597	1.9
95.04977	54.0
97.02285	2.3
97.02901	40.6
98.06029	1.5
99.04472	1.8
103.03941	4.4
109.02879	8.6
112.06828	2.1
112.07611	36.4
113.06000	3.8
116.07040	1.2
122.06009	1.1
123.04426	1.6
124.07570	3.9
127.03927	6.9
129.10262	1.7
136.07549	3.3
140.07076	100.0
145.04953	3.3
150.09128	1.8
152.07063	1.5
154.08662	7.3
158.08124	1.4
170.25574	1.3
178.08699	3.7
182.08144	67.2
206.08165	13.4
218.08221	2.4
236.09207	2.4
248.09250	9.8
251.87138	1.2
275.44058	1.1
302.12259	3.5
303.04999	3.0
303.13165	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01885	5.3
55.05504	10.5
56.05039	4.0
57.03426	7.6
58.51609	2.8
61.02932	6.9
65.85225	2.4
65.89749	2.5
67.05503	7.2
69.03426	9.8
69.07046	2.8
69.42725	9.7
69.43138	11.8
70.06587	12.4
72.08161	100.0
72.93803	2.4
75.44124	3.1
79.05492	8.8
81.03419	9.7
81.07060	9.0
81.52509	2.7
83.08623	3.2
84.08147	5.8
85.02424	5.4
85.02909	70.3
86.09708	34.8
88.02769	2.8
91.05514	6.1
93.07082	3.0
94.06591	6.5
95.04980	10.7
97.02895	54.3
98.06051	3.2
98.09644	2.7
99.04452	3.2
100.46579	2.6
103.03947	4.4
108.08117	12.8
109.02877	7.6
109.06516	2.5
110.06089	4.9
122.06066	8.9
124.07536	3.1
125.05987	3.9
126.05534	7.8
127.03908	17.5
128.07130	4.6
130.06534	25.8
132.10211	5.3
136.07574	18.6
140.07074	40.9
143.11804	46.2
145.04951	11.4
150.09143	6.4
152.07053	20.8
154.08623	7.4
157.13362	6.8
164.07132	20.5
171.11279	22.1
178.08641	12.9
178.10150	2.8
182.08139	86.6
185.12791	4.3
201.08772	3.3
206.08133	37.4
210.14909	3.6
212.16725	2.8
218.08087	3.8
242.08304	3.2
248.09192	9.2
256.11771	4.5
284.14014	4.8
287.05124	3.6
302.07504	6.8
302.11398	4.8
302.19235	5.6
303.04840	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	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
51.74937	1.4
53.03936	3.8
55.01862	2.3
55.05274	1.5
55.05515	27.2
55.66889	1.4
57.03427	5.6
57.07057	4.9
65.03945	1.8
67.05510	27.2
69.03414	5.2
69.06730	1.7
69.07073	22.5
69.21848	5.4
69.22267	11.5
71.04998	3.1
72.08154	1.7
79.05060	2.4
79.05492	26.8
81.03407	3.2
81.07055	38.9
83.04973	6.0
83.08627	13.6
85.02903	2.9
85.06535	2.3
91.05487	25.5
91.95979	1.4
93.07051	45.6
95.04963	5.4
95.08611	46.8
97.02889	3.2
97.03458	1.5
97.06517	4.4
97.10180	8.5
98.20790	3.0
105.07029	35.5
107.04931	4.5
107.07870	2.7
107.08597	52.1
109.06511	4.5
109.10155	30.7
111.04433	10.7
111.08046	2.9
117.07002	6.8
119.04950	2.0
119.08583	46.6
121.06548	4.3
121.09325	3.0
121.10148	39.0
123.08047	3.4
123.11728	15.9
125.05987	2.9
125.09620	6.8
128.06218	2.3
129.07005	7.5
130.07828	2.0
131.08580	14.1
133.06459	2.1
133.10139	27.6
135.04402	10.1
135.08067	4.1
135.11696	37.4
137.05994	7.2
137.13258	2.0
139.07611	2.9
142.07779	2.1
143.08542	14.1
145.06563	1.8
145.10132	25.9
147.08037	4.9
147.11700	17.4
149.09615	2.0
149.13271	14.0
151.07509	4.9
153.01921	1.6
153.05487	17.1
153.06818	2.6
155.08557	2.7
157.06427	2.4
157.10146	16.1
159.08020	4.1
159.11681	21.1
161.05968	2.1
161.09607	4.8
161.13272	11.5
163.07628	1.8
163.11186	5.9
163.14815	5.2
165.06918	1.6
165.09094	4.5
167.07088	3.8
167.08513	2.0
168.00534	7.0
169.10130	2.8
171.08034	2.7
171.11697	13.4
173.09610	4.4
173.13268	9.6
175.11172	3.1
175.14825	6.4
177.09123	2.3
179.10605	2.0
181.06503	2.7
183.11679	3.1
185.09645	2.7
185.13255	13.8
186.01617	4.9
187.11186	4.1
187.14824	6.7
189.09065	2.0
189.12737	2.9
189.16379	2.6
191.10683	6.0
191.17929	2.7
193.12225	1.8
197.13229	3.8
199.11168	4.5
199.14879	10.3
201.12730	2.7
201.16345	8.8
203.10667	2.9
203.17923	4.2
205.12274	9.2
211.14877	2.0
213.12746	4.1
213.16385	4.9
217.12207	7.3
219.13763	4.6
223.14847	1.7
227.14384	3.8
229.07521	3.4
229.19511	5.8
231.13881	10.9
234.40012	1.7
241.15794	1.7
241.19469	6.7
245.15334	11.2
253.04814	1.8
255.21111	17.5
257.22781	1.9
259.16898	3.4
265.19583	4.4
273.03857	2.0
273.22195	3.0
283.20596	20.5
286.04672	31.6
286.07404	5.3
301.03455	3.9
301.06973	34.3
301.09946	26.4
301.21603	100.0
305.93741	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01980	1.8
50.95404	1.6
53.03952	4.2
55.01881	4.5
55.05508	4.7
56.05026	4.8
57.03420	3.2
61.02918	3.8
67.05517	9.3
68.05034	2.0
68.99809	2.3
69.03430	12.2
69.07063	8.8
69.44406	15.9
70.06599	21.2
71.05001	2.2
72.08160	31.7
73.02902	3.6
74.45522	1.8
75.25230	1.9
76.02237	3.2
79.05471	10.0
81.03416	14.7
81.07072	10.3
82.06593	2.6
83.01385	2.2
83.04955	2.0
83.08617	2.4
84.04503	9.5
84.08145	8.4
85.02908	60.5
86.09712	41.4
88.04002	3.0
89.71667	1.7
91.05482	6.2
93.07016	3.0
94.06521	1.7
95.04966	7.7
95.08568	1.9
97.02897	100.0
97.06552	3.2
97.60559	1.9
98.06069	4.2
98.20782	4.6
98.97556	2.6
99.04459	5.9
101.04254	5.6
102.30139	1.8
103.03947	3.3
105.07043	2.7
105.37045	2.0
107.04970	2.2
108.08155	9.3
109.02868	8.1
109.06526	3.4
110.06083	10.3
110.07114	1.9
112.07611	5.3
119.08488	2.6
119.86581	2.0
121.06524	1.8
121.10114	2.5
122.06028	7.6
123.04440	2.7
124.07629	2.8
125.05988	5.1
126.05507	6.1
126.09148	4.7
127.03925	14.6
127.92490	2.0
128.07098	3.4
130.05002	4.7
130.06511	2.6
134.05951	3.2
135.04428	1.9
136.07581	16.2
137.02361	2.0
137.05951	3.8
139.03906	2.4
140.07072	38.2
143.11798	8.6
145.04985	8.4
147.04428	3.3
149.06059	3.2
150.09192	4.4
151.03900	3.9
152.07080	20.2
153.01846	3.3
153.05525	2.0
154.08678	5.8
157.13383	7.0
164.07066	18.5
167.07045	2.3
170.06339	2.0
170.08118	10.3
171.11380	3.6
172.04306	13.9
178.06079	2.0
178.08661	14.0
182.08142	55.4
184.98969	2.1
185.12939	4.5
185.16478	3.3
186.07620	3.1
188.09204	5.5
193.12311	9.3
194.08241	2.1
197.07454	6.4
198.05818	3.4
199.17990	2.2
201.05453	2.5
201.08690	4.0
206.08150	26.3
208.60175	1.9
210.14952	6.3
213.05409	2.0
215.08484	8.5
218.08122	3.5
229.04958	5.1
236.09198	2.2
244.06436	3.1
247.05962	2.2
248.09238	7.6
256.09628	2.7
257.09406	3.5
257.12848	3.4
261.08942	2.7
266.10217	4.9
267.15900	3.4
284.11029	2.6
285.12244	2.5
287.05109	5.8
302.04276	2.6
302.07346	10.0
302.11874	6.6
302.19559	4.7
303.05038	45.6
303.08353	1.7
303.13354	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	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03933	6.7
55.01872	4.5
55.05516	94.7
55.05779	3.6
56.71341	2.1
57.03415	7.3
57.07050	5.0
65.03934	3.1
67.05511	47.3
68.99799	2.7
69.03410	8.6
69.06728	3.1
69.07072	49.2
69.79772	12.4
71.04978	7.4
72.08134	7.3
78.61827	2.0
79.05501	52.5
81.03395	7.7
81.06587	4.4
81.07061	80.5
83.04964	9.4
83.08627	75.5
84.08102	2.4
85.02892	5.2
85.06552	2.5
87.04494	2.1
91.04971	3.9
91.05489	49.0
93.07048	85.5
93.44551	2.1
95.04974	12.4
95.08611	71.5
97.02858	3.0
97.06553	12.5
97.10151	9.0
98.20824	3.6
99.08131	2.8
101.49426	1.9
105.07037	92.3
107.04974	10.7
107.08603	100.0
108.08106	6.3
109.02900	2.7
109.06504	6.5
109.10162	44.7
111.04415	4.7
111.08059	8.8
111.11662	3.6
113.02261	1.9
115.05419	3.1
117.07008	10.5
118.06506	5.7
119.04928	4.0
119.07813	3.4
119.08595	56.0
120.08102	3.6
121.02848	5.0
121.06480	6.5
121.09346	3.6
121.10158	55.8
123.04360	2.3
123.08082	3.4
123.11685	14.0
125.05968	6.7
125.09608	6.9
128.06250	4.3
129.06982	10.2
131.04939	5.3
131.08574	29.4
133.06490	10.4
133.09244	3.2
133.10144	46.1
135.04353	3.5
135.08047	7.7
135.11717	30.2
136.07585	3.9
137.02347	2.3
137.05983	8.9
137.13232	2.9
138.03122	8.1
139.11134	4.6
141.07040	2.1
142.07742	4.7
143.08571	16.4
144.09355	5.0
145.06390	2.9
145.10135	43.6
147.04425	3.6
147.08022	4.6
147.11684	27.3
148.07553	6.7
149.06026	7.7
149.09669	3.2
149.12207	2.8
149.13284	38.3
150.09138	19.2
151.11166	3.8
153.05478	86.2
153.06770	5.1
155.08531	5.9
157.10152	19.2
159.08055	6.4
159.11696	40.2
161.05962	13.6
161.09599	7.3
161.13243	31.7
163.11188	7.4
163.14833	12.8
164.07069	53.2
165.07007	4.9
167.08629	2.6
168.00594	16.5
169.10130	4.9
170.07118	2.9
171.11719	12.2
173.09581	6.6
173.13269	27.4
175.03767	2.7
175.11201	6.2
175.14813	26.7
176.15588	9.5
177.05322	3.0
177.16360	6.9
181.06538	4.5
185.09572	3.1
185.13283	16.0
186.01599	12.7
187.11215	2.5
187.14854	17.6
189.05482	3.6
189.08992	2.4
189.16388	4.4
191.10666	3.1
191.14369	2.6
195.07954	3.2
197.13255	6.0
198.06776	2.7
199.14810	17.8
200.04845	2.3
201.16403	6.1
203.14333	6.2
203.18028	4.0
205.15871	3.7
213.05472	3.6
213.12672	4.0
213.16362	9.5
215.14256	6.9
215.17908	2.9
217.04933	2.8
226.06206	2.7
227.17912	4.3
229.19527	47.5
231.17395	6.3
241.08615	3.8
241.19493	2.9
245.04504	2.6
255.11244	3.3
255.15173	10.9
255.21109	23.7
258.05460	4.7
265.19553	4.3
269.08072	2.5
273.15909	3.7
273.22064	8.8
283.14093	8.1
283.20544	13.3
283.23618	2.8
286.04733	91.5
287.04944	3.0
301.03564	4.9
301.07010	88.8
301.10632	33.0
301.14822	10.5
301.21616	89.8
302.07370	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	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.6
54.77288	2.2
55.01664	2.0
55.01878	23.3
55.05514	19.5
57.03442	30.7
57.07062	2.5
58.53964	2.1
65.03934	6.8
67.05507	71.2
68.99781	3.6
69.03430	6.3
69.07068	21.9
70.06600	10.9
71.04997	10.8
71.06937	3.4
71.65044	2.0
72.08157	5.0
79.05497	83.6
81.03421	14.4
81.07063	60.3
83.04988	35.0
83.08634	7.4
84.04501	3.3
85.02921	5.7
85.06548	12.3
91.05484	52.5
91.90743	2.5
93.03391	2.6
93.07053	71.7
95.04971	22.9
95.08607	31.0
97.02892	7.0
97.06529	23.6
99.04478	7.0
105.03399	3.4
105.07037	25.9
107.04962	55.3
107.08605	43.4
109.02874	3.2
109.06515	9.5
109.10160	12.9
111.04451	44.7
111.08071	8.6
113.05985	2.4
115.05461	4.1
117.07039	25.1
119.08590	34.0
121.06558	12.2
121.10146	63.1
123.04466	5.6
123.08076	7.4
125.06029	3.5
125.09695	3.1
127.03928	3.1
128.06229	4.6
129.07027	14.1
130.07817	2.5
131.04987	5.2
131.08568	17.9
133.06451	3.6
133.10106	12.3
135.04385	3.1
135.08080	7.2
135.11707	46.8
137.02353	4.4
137.05975	13.1
137.09650	4.6
143.08626	6.0
145.06487	9.3
145.10132	62.9
147.08113	5.1
147.11708	8.3
149.06024	2.9
149.09586	10.9
150.29622	2.5
152.01024	2.2
152.06227	4.2
153.01857	5.9
153.05516	6.4
153.07025	9.1
153.12735	20.1
155.08560	12.7
157.10150	6.7
159.11682	11.1
161.02287	2.6
161.05986	4.1
161.09656	3.5
163.11200	74.7
163.12531	4.6
165.07011	6.0
165.09181	2.7
166.05070	2.6
168.00587	6.5
169.06488	3.2
171.11729	5.0
171.44579	2.4
173.09636	38.6
173.13388	3.2
175.03928	3.0
175.11182	3.8
181.06508	10.4
181.12245	37.1
185.13260	4.4
187.14873	3.4
189.05484	7.3
191.03404	4.0
191.10672	39.1
191.86452	2.6
197.06035	3.6
198.06766	4.8
203.03447	2.8
209.11716	20.3
210.09216	3.1
212.09442	2.8
213.05505	6.2
213.09081	2.7
213.16275	3.0
214.12328	6.4
217.04982	16.2
226.06190	3.0
227.06989	3.3
227.12814	19.5
228.10229	3.4
229.04903	3.8
229.13370	2.8
240.10345	3.5
241.04982	6.9
241.08577	4.4
245.04518	13.2
255.07262	2.8
255.11589	7.2
257.12900	3.7
258.05243	9.8
258.11221	4.7
259.10864	9.6
265.14407	4.6
269.04443	7.0
269.08005	4.8
270.09747	2.8
272.07986	20.9
273.04004	19.2
273.12457	3.0
283.10773	8.3
283.15338	11.8
283.20667	5.2
284.10391	3.1
285.03851	2.5
286.04730	40.2
301.03476	30.2
301.07101	100.0
301.11554	59.7
301.16467	69.0
301.21448	22.8
302.07501	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	301.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01881	4.3
55.05516	21.3
57.03429	6.2
57.07069	9.9
59.05020	3.2
65.03928	2.9
65.83758	2.5
67.05508	28.8
69.03429	7.1
69.07074	20.7
70.06577	8.4
71.04987	5.9
72.98108	2.8
74.92571	2.8
79.05491	28.5
81.02067	3.1
81.07059	27.1
83.04986	5.9
83.08610	8.2
85.02882	4.8
85.06535	4.0
88.07626	11.3
91.05486	34.6
93.07034	32.3
95.04971	17.6
95.08622	29.0
97.06520	10.2
97.10146	6.9
101.81685	2.7
105.07035	54.2
106.08680	6.6
107.08604	44.8
109.06532	30.8
109.10159	29.1
111.08086	4.2
115.05466	4.0
117.07045	17.5
119.04970	4.1
119.08586	52.0
121.02832	4.8
121.06500	13.2
121.10149	32.0
123.08089	3.7
123.11718	4.6
125.09637	12.1
128.06232	5.2
129.07004	13.4
130.07765	6.9
131.08582	50.9
133.06534	4.2
133.10141	35.3
135.08072	21.6
135.11696	9.3
139.11191	6.9
142.07774	4.7
143.08566	15.6
144.09383	3.9
145.10135	48.3
146.07253	4.7
147.08032	4.8
147.11690	13.6
149.09592	6.4
149.13261	6.6
155.08530	3.6
156.09335	7.2
157.10167	15.3
158.10944	10.9
159.08041	5.1
159.11673	17.1
161.09636	54.3
161.13255	5.7
163.11226	11.6
168.00578	17.8
169.10030	3.9
171.11676	10.5
173.09602	3.1
173.13274	100.0
175.14879	11.3
179.08571	7.2
181.10095	3.3
183.11688	5.4
185.13258	10.0
186.01608	11.9
187.14775	6.6
189.12791	3.7
191.14336	30.6
193.10135	4.0
195.11768	4.3
197.13310	3.9
199.14796	7.0
201.12695	6.7
205.15843	3.7
209.13326	11.3
213.12793	3.7
213.16489	3.6
217.04944	3.4
223.14818	5.4
225.16406	4.9
227.14410	8.4
229.17758	4.6
243.17436	3.5
245.04611	3.0
245.13698	6.5
265.19485	7.7
283.20572	17.9
286.04742	97.6
301.03592	6.3
301.07068	90.2
301.10565	5.6
301.17587	31.4
301.21622	39.2
302.07175	3.2
302.30573	64.8
317.80817	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	301.1071
Annotation	2,5-Dihydroxy-7-methoxy-8-methylflavanone
Peak:m/z	Relative Intensity
53.03934	0.9
55.01865	0.8
55.05495	0.7
59.94082	0.3
65.03932	0.9
67.05512	1.7
68.99802	2.9
69.07047	0.6
69.77704	1.8
77.03942	0.4
79.05501	3.2
81.03416	0.7
81.07043	1.2
83.08608	0.5
84.88322	0.4
91.05482	6.2
93.03407	0.3
93.07048	0.9
95.04981	1.9
95.08594	1.1
97.10164	0.6
103.05460	0.8
105.04536	0.5
105.07035	1.2
107.04962	35.2
107.08585	1.2
109.10150	0.5
110.03605	0.4
111.04429	0.6
117.03397	2.6
117.07019	0.4
119.04957	4.2
119.08559	0.7
120.05727	0.5
121.02885	0.8
121.06499	0.8
121.10155	0.5
123.04446	2.2
124.05185	0.8
125.05976	0.5
128.06248	0.5
132.05667	0.4
133.02774	0.5
135.04425	33.0
135.11742	0.4
136.05199	0.4
137.02354	0.6
137.05957	0.9
138.06749	0.7
139.07532	1.1
141.06979	0.4
145.02896	0.4
145.10214	0.4
146.42856	0.4
147.04422	2.1
148.05183	1.3
149.05975	0.6
149.08044	0.3
151.07587	2.8
153.05492	3.7
153.06670	0.6
157.06509	0.4
157.10129	0.5
159.08096	0.4
159.11736	0.4
161.05992	0.9
163.03915	100.0
163.07544	11.5
164.04404	1.2
165.06998	0.9
167.07062	0.7
167.08531	0.7
168.00537	0.7
171.08034	0.5
177.05417	0.5
179.07066	1.7
181.04932	1.2
181.06512	1.8
182.07291	0.8
183.08067	0.7
184.05185	0.5
185.05949	0.6
186.01636	0.7
187.07478	0.4
189.09048	0.4
191.07108	1.7
194.07306	0.5
195.08128	0.5
196.08810	1.0
197.05962	1.1
198.06741	0.9
199.07477	0.5
200.08357	0.6
207.06503	4.3
209.05911	1.0
210.06848	0.6
211.07576	1.0
212.08234	0.6
213.09126	1.1
215.07013	1.1
215.10646	0.5
221.06015	0.9
223.07579	0.4
224.08371	0.9
225.05563	0.7
226.06198	1.3
227.06953	2.3
231.10234	0.8
235.07568	0.8
237.05476	1.2
239.07051	0.8
240.07834	1.1
241.08588	2.3
242.09471	1.2
243.06491	0.7
251.07040	1.5
252.07840	5.5
253.08583	1.2
254.05872	0.5
255.06490	2.7
255.10146	1.9
268.07391	1.0
269.08035	2.2
270.08902	3.8
271.06100	1.0
273.11237	18.9
274.11383	0.4
283.09653	12.2
286.04730	4.7
286.08325	1.7
288.09729	0.4
301.07071	5.2
301.10718	16.3
301.21799	1.0
301.25055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.05475	0.9
57.03412	0.5
60.04437	0.2
67.05504	1.8
68.99763	0.2
69.03378	0.2
69.07037	0.8
70.06550	0.3
71.04954	0.9
71.76565	0.2
72.08125	0.4
79.05499	1.4
81.03370	0.4
81.07066	2.1
81.38225	0.2
82.06799	0.2
83.04958	0.5
83.08612	0.4
85.02927	0.3
89.41357	0.2
91.05496	1.8
93.07059	1.8
95.04945	0.8
95.08622	1.2
97.06495	0.6
105.07031	2.0
105.80569	0.2
107.04922	0.2
107.08595	1.6
107.18553	0.2
109.06503	0.4
109.10135	0.9
109.35000	0.2
111.04424	0.4
111.08064	0.3
117.07012	0.3
119.04909	0.3
119.08553	1.1
121.10123	0.8
123.04430	0.2
123.08031	0.2
123.11666	0.3
129.06976	0.2
131.08534	0.8
133.06465	0.4
133.10144	1.3
135.08014	0.3
135.11642	0.5
137.02364	0.3
137.05986	0.4
137.09538	0.2
138.03069	0.4
141.85844	0.2
145.06453	0.3
145.10107	1.2
147.04369	0.2
147.08061	0.2
147.11665	0.7
149.02391	0.2
149.05962	0.6
149.13246	0.4
151.11183	0.3
152.06206	0.3
153.01831	1.8
153.04312	0.4
153.05478	5.3
153.06783	0.6
157.10109	0.6
159.11671	1.0
161.05939	0.9
161.09615	0.6
161.13274	0.3
163.11163	0.4
167.08540	0.4
168.00511	0.8
169.06505	0.3
170.35547	0.2
171.11688	0.4
173.09627	0.3
173.13251	0.4
177.05579	0.2
177.12781	0.3
181.06464	0.6
183.08041	0.2
185.06010	0.3
186.01631	0.3
187.07538	0.2
187.14786	0.3
191.14268	0.3
195.08142	0.3
197.05855	0.5
198.06691	0.4
201.16394	0.3
213.05453	0.6
213.09061	0.3
226.06299	0.4
229.05016	1.9
241.08635	0.4
255.06459	0.3
255.11310	1.0
255.21085	0.5
257.04465	1.0
258.05258	41.3
259.05554	0.4
283.20779	0.2
286.04730	54.5
287.05127	0.8
301.07086	100.0
301.21747	2.2
302.07471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0703
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.56741	0.3
53.03948	0.3
55.01871	0.6
55.05505	0.8
65.03939	0.3
67.01849	0.3
67.05498	2.0
68.99792	0.9
69.03431	0.7
69.07076	1.3
70.06597	1.1
70.77583	0.4
70.77901	0.5
71.04990	0.5
71.06927	0.3
72.08157	0.8
75.80038	0.3
79.05497	1.5
81.03411	0.5
81.07049	2.1
83.04987	0.4
83.08642	0.3
85.02915	0.3
85.06538	0.4
85.47810	0.3
89.03935	0.4
91.05487	3.0
93.07054	1.9
95.04945	0.9
95.08601	2.1
97.02906	0.7
97.06540	0.5
97.10188	0.3
103.05484	0.3
105.07037	2.3
106.06544	0.3
107.04971	0.9
107.08598	2.1
109.06509	0.6
109.10128	1.6
109.87086	0.3
111.00813	0.3
111.08096	0.4
115.05464	0.6
116.06224	0.3
117.07012	0.7
119.04951	1.0
119.08589	2.0
121.02901	0.7
121.06503	1.2
121.10136	1.4
123.04437	0.6
123.08047	0.7
123.11643	0.5
124.01613	0.5
125.05975	0.3
128.06203	0.4
129.07010	0.9
131.04953	0.7
131.08524	1.6
133.10132	1.8
134.03638	2.2
135.04439	0.5
135.08075	0.8
135.11674	0.9
137.02330	0.5
137.05983	0.7
137.09641	0.5
139.03893	0.3
141.06984	0.4
142.07710	0.4
143.08534	0.8
144.05687	0.3
145.06499	0.5
145.10065	1.5
147.00146	0.3
147.04424	0.6
147.08026	0.4
147.11673	1.1
149.02351	1.0
149.05974	0.8
149.09610	1.1
149.13268	0.6
151.03838	0.4
151.11136	0.4
152.01070	0.4
152.05159	0.3
152.06134	1.3
153.00577	0.5
153.01822	7.1
153.05479	1.3
153.06995	2.6
155.04982	0.3
155.08577	0.4
157.06503	0.6
157.10149	1.0
159.11684	1.9
161.05942	0.6
161.09636	0.4
161.13289	0.4
163.03931	0.4
163.11198	1.2
165.07019	2.2
167.08595	0.9
168.00540	1.1
168.05687	0.5
169.06549	1.1
169.10092	0.3
170.02095	0.6
170.07249	0.8
171.02907	0.5
171.04364	0.4
171.11703	0.9
173.13300	1.0
174.06647	0.3
175.03951	0.7
175.11224	1.0
177.05507	0.4
177.06998	0.4
177.12794	0.4
179.10918	0.3
180.05713	0.5
181.06459	3.6
182.07251	0.8
183.04451	0.7
183.07986	0.5
184.05318	0.6
185.05989	0.9
185.13371	0.4
186.01588	0.7
186.09093	0.3
187.07533	0.6
187.14807	0.7
191.03345	0.3
194.07332	0.3
195.08096	1.0
197.05966	1.8
198.06770	2.1
199.03902	0.5
199.07640	0.5
199.14946	0.4
201.05539	0.5
202.06259	0.4
208.05202	0.4
209.05957	0.6
211.03954	0.6
211.07553	0.9
212.04689	0.5
213.05449	2.1
213.08899	1.6
213.16287	0.4
215.06996	0.8
217.05070	0.4
223.07594	0.7
225.05502	0.5
226.06209	1.9
227.07024	0.4
229.04967	5.5
230.05699	1.6
239.07326	0.3
240.07835	0.3
241.04971	7.0
241.08549	2.2
243.06548	0.3
245.04407	0.5
245.08122	0.7
251.07083	0.5
255.06483	0.5
255.11238	0.6
255.21150	0.5
257.04453	0.6
258.05240	24.2
259.05734	0.3
259.10690	0.9
269.04456	5.3
269.07959	0.7
272.10477	0.4
273.03934	0.4
273.07651	0.4
283.10596	0.4
283.20630	1.4
285.03821	1.4
286.04718	43.4
287.05139	0.5
301.07104	100.0
301.10663	14.0
301.21640	5.2
302.07410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Diosmetin
Peak:m/z	Relative Intensity
55.01870	0.2
55.05521	0.4
57.07064	0.1
65.03933	0.3
67.05492	0.6
68.99796	1.4
69.03419	0.5
69.07056	0.6
69.73095	0.2
70.06596	1.2
70.55418	0.2
70.55759	0.4
71.06932	0.3
72.08159	0.5
74.89752	0.1
79.05508	0.9
81.03426	0.3
81.07066	1.2
85.02902	0.2
89.03938	0.7
90.74688	0.2
91.05489	1.3
92.55487	0.2
93.03382	0.2
93.07048	0.8
95.01337	0.3
95.04970	0.4
95.08600	0.9
97.02897	0.3
97.06553	0.4
103.05454	0.3
105.03352	0.3
105.07021	1.0
107.04996	0.4
107.08601	0.8
109.02905	0.2
109.06535	0.3
109.10134	0.4
115.05476	0.4
117.03386	0.2
117.07015	0.6
119.04987	0.3
119.08575	0.9
121.02869	0.5
121.06504	0.5
121.10144	0.9
123.00782	0.9
124.01565	1.3
128.06203	0.3
129.06996	0.7
130.06561	0.2
131.04936	1.0
131.08585	0.6
133.06523	0.2
133.10130	0.4
134.03644	4.9
135.04376	0.3
135.08095	0.2
135.11696	0.4
137.02357	0.8
137.05991	0.3
137.09685	0.2
138.03123	0.3
139.03865	0.3
141.07021	0.3
143.08517	0.3
145.06488	0.6
145.10129	0.9
147.04356	0.5
147.11664	0.5
148.03923	0.5
149.02371	1.1
149.05972	0.5
149.09660	0.4
151.03873	0.2
152.01089	1.0
152.06168	0.2
153.01839	12.2
153.05472	1.4
153.06972	0.4
154.02263	0.2
155.04919	0.2
157.06483	0.9
157.10159	0.5
159.07994	0.2
159.11696	0.5
161.02342	0.5
161.06007	0.5
161.09644	0.3
163.11176	0.8
165.01811	0.2
165.07053	0.5
166.04997	0.2
167.08585	0.3
169.06473	0.4
170.02107	1.2
171.04425	0.6
173.06010	0.3
173.09683	0.2
173.13243	0.3
174.03012	0.2
174.06863	0.4
175.03896	0.8
175.11156	0.2
177.05443	0.4
181.06424	0.8
181.12152	0.2
184.05161	0.4
185.06004	1.0
185.13278	0.2
187.03902	0.6
187.07515	0.2
189.05457	0.4
191.03432	0.2
197.05925	0.8
199.03889	1.0
199.14890	0.3
201.05475	0.5
202.06229	1.3
203.03523	0.3
209.06061	0.2
209.11746	0.2
212.04697	0.6
213.05476	4.1
217.04982	1.3
226.06273	0.3
227.03397	0.2
227.07077	0.5
227.12701	0.4
229.04985	10.4
230.05762	3.4
240.04210	0.4
241.04968	14.1
241.08861	0.5
245.04520	0.9
245.08116	1.6
245.13853	0.2
255.11229	0.5
257.04535	0.4
258.05243	9.9
259.06097	0.2
259.10736	0.7
268.03818	0.4
269.04459	10.8
270.04916	0.3
273.03928	1.2
273.07516	0.7
273.12201	0.2
283.10443	0.4
283.20947	0.2
285.03961	2.3
286.04730	29.4
287.05060	0.4
301.07068	100.0
301.21591	1.9
302.04092	1.2
302.07431	1.6
302.10626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Koparin
Peak:m/z	Relative Intensity
50.35616	0.2
53.45438	0.2
55.01875	0.5
55.05498	0.6
57.03444	2.4
65.03940	0.3
67.05515	1.4
68.99791	0.4
69.03411	0.3
69.07056	0.4
70.06587	0.5
71.31996	0.4
72.08152	0.6
79.05482	0.8
81.03431	1.3
81.07053	0.6
83.05013	0.3
83.06107	0.5
84.04507	1.5
85.02898	1.0
85.06565	0.4
86.09698	0.3
91.05468	0.8
93.07035	0.9
95.04970	0.5
95.08607	0.5
97.02907	0.4
97.06560	0.4
105.03391	1.1
107.04957	0.6
107.08641	0.4
109.10159	0.7
111.04439	0.8
115.05473	0.7
116.62138	0.3
117.07042	0.3
119.04910	0.4
121.02860	0.7
121.06500	0.3
121.10134	0.6
123.08076	0.2
124.07545	0.3
128.06229	0.5
129.06914	0.9
130.05022	1.3
133.02846	0.5
135.04436	0.8
137.02347	17.6
137.05936	0.4
139.03883	0.6
139.05414	0.4
141.06972	2.4
144.49738	0.2
145.06500	0.5
147.04434	1.6
147.07689	0.6
149.02307	0.9
150.03114	2.2
152.06230	0.4
153.06964	0.4
157.06500	6.3
163.03857	0.6
163.11159	0.4
164.04794	0.3
165.05484	0.4
167.03435	0.4
167.04893	0.4
168.00528	0.4
168.05692	0.9
169.06508	1.8
171.04492	1.5
171.08049	0.7
173.11815	0.3
175.03975	1.0
181.06470	0.7
184.05211	1.1
185.05936	2.7
187.03897	2.9
187.07542	0.3
188.04721	1.3
188.09334	0.3
189.05473	4.6
191.03319	1.5
192.04166	0.6
193.05008	0.8
194.02069	0.6
195.08058	0.3
196.05232	0.9
197.05988	7.5
198.06674	0.3
199.03946	0.8
201.05501	0.4
209.06113	0.4
209.11833	0.4
211.07559	1.0
212.04706	2.4
213.05478	28.6
214.06052	0.6
214.14104	0.3
215.03380	1.5
216.04175	0.7
217.04984	1.2
222.61250	0.2
224.04790	0.5
225.05432	2.6
226.06284	0.4
227.03403	0.6
227.07033	2.8
229.04970	0.3
231.06496	0.8
240.04236	0.9
241.04962	21.7
242.05385	0.3
245.04385	0.3
245.08133	2.3
255.06500	3.9
255.11574	0.5
255.17894	0.7
257.08109	0.4
258.05280	0.5
259.10779	0.4
268.03696	2.6
269.04456	18.9
270.04861	0.3
273.07648	0.9
283.05997	2.3
283.10681	0.4
285.03943	0.3
286.04736	7.6
301.07077	100.0
302.07330	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05504	1.1
57.03233	0.2
57.03445	2.7
65.03951	0.4
67.05491	1.2
68.05034	0.5
68.99792	0.6
69.03413	0.6
69.07057	0.8
69.78191	1.2
70.06587	0.7
71.04982	0.3
72.08160	1.5
79.05492	1.6
81.03414	1.0
81.07043	1.5
81.39004	0.2
82.06579	0.4
83.04979	0.8
83.08632	0.4
84.04505	4.5
84.08122	0.3
85.02892	1.4
85.06525	0.4
86.09712	0.6
87.04494	0.4
91.05477	1.5
93.07071	1.5
95.01329	0.3
95.04978	0.6
95.08575	0.6
96.02095	0.3
97.02888	0.7
97.06525	0.4
97.10175	0.4
98.45659	0.2
103.05395	0.3
105.03378	0.7
105.07076	0.7
107.04943	0.7
107.08596	0.9
108.08043	0.3
109.02912	0.4
109.10164	0.8
110.06020	0.3
111.04423	0.8
111.08038	0.3
115.05450	0.7
117.07056	0.4
119.04910	0.6
119.08590	0.6
121.02865	0.9
121.06474	0.7
121.10149	0.9
123.04425	0.3
124.01590	0.3
125.09592	0.5
126.09187	0.3
128.06235	0.8
129.06996	1.3
130.05006	1.1
131.04893	0.4
131.08580	0.4
133.02850	0.5
133.10078	0.4
134.03653	1.1
135.04419	0.9
135.11676	0.8
137.02348	12.6
137.05975	1.1
138.15201	0.2
139.03870	0.6
139.05411	0.6
139.10974	0.2
141.07011	2.0
143.08560	0.5
144.08083	0.4
145.10127	0.9
147.04419	1.6
148.03908	0.5
149.02359	0.6
149.05986	0.3
150.03119	1.6
152.01094	2.3
153.01863	1.9
153.07054	0.5
154.08694	0.4
155.04947	0.3
157.06511	5.5
157.07755	0.4
161.46684	0.3
163.03894	0.7
163.11154	0.8
164.04715	0.4
165.07011	0.3
166.04982	0.4
167.03401	0.5
168.00540	0.9
168.05701	0.8
169.06516	1.5
170.02101	1.3
171.04454	1.0
171.08014	0.6
173.06090	0.3
175.03917	0.7
176.03529	0.4
177.05475	0.4
181.06479	0.7
181.12219	0.5
183.09227	0.3
184.05261	1.2
184.09930	0.5
185.05963	2.8
187.03899	2.0
188.04700	1.5
189.05482	3.6
191.03490	1.2
192.04230	0.3
193.04979	1.0
193.08130	0.3
194.02115	0.4
194.60728	0.4
195.04268	0.4
196.05190	0.8
197.05975	6.0
197.07645	0.3
198.06668	0.3
199.03897	1.0
199.08749	0.5
199.12387	0.4
201.05569	0.5
202.06322	0.8
209.11723	0.4
211.07268	0.5
212.04739	2.6
212.09474	1.0
213.05478	21.6
214.06088	0.4
215.03439	1.3
216.04187	0.5
217.04924	1.4
217.60875	0.4
223.04002	0.4
224.04744	0.6
225.05446	1.9
225.10257	0.6
226.06198	0.3
226.11014	1.3
227.07033	2.8
227.11737	1.7
228.10243	0.8
229.04909	1.3
230.05782	1.3
231.06476	0.5
231.60709	0.6
240.04204	1.1
240.61201	0.4
241.04970	19.4
242.05591	0.6
245.04457	0.9
245.08099	2.2
255.06554	3.0
255.11246	2.1
257.04459	0.4
258.05231	0.7
259.10883	1.3
268.03763	2.3
269.04465	17.2
269.12357	0.5
269.62457	0.3
270.04922	0.3
270.09961	1.9
271.10840	0.4
272.11523	1.8
273.03815	0.7
273.07471	0.4
273.12280	1.5
283.06006	2.0
283.10678	1.4
285.03891	1.0
286.04736	11.7
301.07074	100.0
301.11823	15.0
302.07465	2.0
302.12299	0.5
309.16174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01869	3.6
55.05514	16.1
57.03439	19.3
57.07062	3.7
65.03928	1.5
65.88072	1.2
67.05506	48.8
69.03426	5.3
69.07073	18.7
71.04992	5.7
71.55952	1.5
72.08142	3.1
79.05498	26.6
81.03432	8.0
81.07061	100.0
83.04987	12.5
83.08639	7.9
85.06548	6.8
91.05486	59.0
91.05923	1.0
91.06078	1.6
93.07059	19.3
95.04955	6.8
95.08043	2.2
95.08610	23.9
97.06538	13.5
97.10173	1.8
98.09718	2.6
98.10339	1.3
99.08097	5.1
103.05476	2.3
105.07037	52.5
107.04961	2.7
107.08606	19.4
109.06522	8.1
109.10160	8.5
110.16416	1.2
111.04452	3.9
111.07991	2.7
115.05453	4.4
115.07616	1.8
116.06224	5.4
117.07010	3.8
119.04920	5.9
119.08591	46.3
119.55943	1.2
121.06498	3.7
121.10154	18.5
123.08096	6.4
123.11713	21.2
125.09637	2.5
129.07019	13.2
131.08577	33.1
132.05750	1.8
133.06534	2.8
133.10126	15.2
135.04428	2.7
135.08047	2.3
135.11703	3.4
137.09633	2.1
137.13249	4.0
139.07483	1.4
141.07034	1.4
141.09174	1.5
142.07809	3.7
143.08549	4.8
145.10159	6.8
147.08090	2.5
147.11693	85.5
149.09616	4.8
151.11168	2.3
153.06915	1.8
155.08557	2.6
155.99457	1.4
156.09354	2.9
157.10138	14.9
159.08066	58.1
159.11674	3.6
161.05968	1.6
161.09650	3.2
161.13257	1.7
163.03932	2.2
165.12759	56.4
169.10167	1.7
171.11755	3.2
173.09523	1.3
173.13277	1.4
175.11209	12.1
182.10904	1.4
183.08141	3.1
183.11734	2.9
184.03731	3.2
185.09573	1.6
185.13275	2.5
189.12804	3.6
193.12238	14.8
197.13249	4.8
197.15416	7.5
199.11201	4.1
199.14722	2.2
207.11792	1.6
211.07590	2.4
211.11102	1.8
213.05431	1.5
225.12798	2.8
225.14737	1.5
227.07047	1.6
228.08026	1.5
229.14365	2.1
239.07077	4.9
239.18004	2.0
241.04999	1.7
243.10225	5.3
243.13710	1.9
243.15961	2.5
253.19505	2.2
256.07425	9.3
257.19189	1.3
257.89752	1.3
263.17889	1.7
269.04312	1.5
281.19012	12.6
283.06033	1.4
284.06793	22.6
299.05905	3.2
299.09164	76.4
299.19809	28.1
299.23996	1.2
299.27090	1.6
300.09552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	21.9
53.03940	3.8
55.01862	10.7
55.05269	4.1
55.05516	60.6
57.03442	37.4
57.07071	7.9
59.04990	8.3
59.10864	2.7
67.05511	38.5
69.03418	7.0
69.07070	16.3
70.39274	2.3
71.01343	8.0
71.05011	2.7
71.08624	5.9
71.55743	3.1
79.05496	35.5
81.03429	19.5
81.06590	3.6
81.07062	60.0
83.04976	9.9
83.08623	39.8
85.06560	3.1
90.26938	2.3
91.05489	62.5
93.07047	49.0
95.04969	14.6
95.08614	26.0
97.02886	12.1
97.06525	9.2
97.10179	8.5
99.00202	4.0
99.00829	65.9
99.04372	3.0
99.08096	2.8
103.05470	6.5
105.07042	47.9
107.04951	16.1
107.08606	26.4
109.02865	26.7
109.06521	9.2
109.10167	22.9
111.04478	6.5
111.08070	14.8
115.03928	11.0
115.05430	3.0
117.07033	10.7
118.46156	2.2
119.05008	4.2
119.08583	29.2
121.06535	21.8
121.10120	6.8
121.70047	2.5
121.70913	2.5
123.04419	4.9
123.11704	10.1
125.09604	4.3
127.03921	7.3
128.06230	5.6
131.08565	8.2
133.06520	6.3
133.10144	100.0
135.08057	5.6
135.11714	8.8
137.05969	6.1
137.09624	5.1
139.07535	10.8
143.08545	16.3
145.10138	8.7
147.08102	3.2
147.11676	3.4
151.11197	37.0
159.08011	3.6
159.11746	4.6
161.09627	60.0
163.11198	2.6
165.09209	4.3
171.08067	12.5
171.11719	2.9
173.13199	3.3
179.10687	39.4
183.11600	3.3
185.09679	3.2
189.09114	39.7
197.11708	17.4
197.13326	2.9
207.10155	16.7
225.11221	53.2
243.12360	6.2
284.06769	4.3
299.09222	9.5
299.14886	96.0
299.20120	8.8
299.23688	11.1
299.26779	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	299.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93821	0.9
55.05512	2.1
69.07072	0.8
69.96183	4.6
70.82652	1.6
70.95855	3.0
78.22473	0.6
83.04974	3.0
85.01405	0.9
96.35548	0.6
98.97598	6.0
101.00883	4.8
103.02456	4.3
104.84225	0.7
111.04404	2.0
113.06012	1.6
114.70062	0.7
116.98645	5.1
119.01141	1.2
119.01930	15.8
120.02023	1.4
121.03490	2.5
127.07535	1.7
129.03954	0.8
131.96138	2.0
134.99614	3.2
137.02975	5.1
141.04008	1.0
143.05557	4.7
145.03473	6.5
147.05017	5.0
149.97241	2.3
155.05750	1.2
155.07039	14.7
157.07086	3.9
159.05051	2.1
161.06602	8.3
163.04529	7.3
165.06108	3.0
169.07088	3.0
171.05046	2.8
171.09840	0.9
173.06607	1.3
174.97736	2.5
175.08191	12.3
177.01001	3.4
178.01047	2.1
179.00700	1.0
180.00899	0.8
183.08780	1.5
185.06615	8.7
187.04576	1.5
187.08167	11.8
189.06091	13.8
191.95055	2.0
192.98686	0.9
195.05057	1.6
199.08157	0.8
201.00952	1.1
201.06047	0.8
201.09776	3.8
203.02594	0.8
203.07660	3.5
204.02779	1.7
205.05547	2.0
207.07135	0.9
208.95911	0.9
209.95992	3.9
210.95856	0.6
211.04538	5.2
211.08147	1.2
213.06122	8.3
213.09660	5.0
219.02054	5.5
220.02170	3.5
221.01811	1.6
222.01834	1.0
229.05557	2.7
231.07086	3.9
231.10829	1.4
232.96605	2.1
233.96077	4.5
234.95804	1.2
237.06102	1.2
239.07645	1.0
247.06679	0.7
250.97626	2.2
251.97099	6.4
252.96881	1.6
255.07190	3.4
255.10812	4.7
256.96878	1.4
257.08713	5.4
257.15918	0.9
257.96304	0.8
258.99808	2.6
261.03094	1.5
262.03244	9.4
263.02881	1.3
274.97705	5.8
275.04626	1.0
275.09756	1.2
275.97186	13.8
276.04599	3.5
276.96973	2.7
277.00729	4.1
292.98712	2.2
293.98218	14.9
294.98367	1.0
298.97903	8.8
299.09769	100.0
300.10034	1.9
316.98856	14.4
317.07401	1.1
317.10800	7.3
317.18088	1.2
317.99182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.63114	0.1
64.90924	0.1
67.05486	0.4
68.76115	0.1
68.99791	0.3
69.03429	0.2
69.07086	0.3
70.06582	0.2
70.90958	0.3
72.08134	0.2
79.05481	0.3
81.07053	0.6
91.05466	0.4
93.07039	0.3
95.01379	0.1
95.08591	0.3
97.02894	0.2
97.06548	0.2
98.09685	0.2
105.07032	0.6
107.04948	0.3
107.08588	0.4
109.06546	0.2
109.10132	0.5
111.04429	0.5
115.05448	0.1
117.06985	0.1
118.04106	0.3
119.04901	0.2
119.08591	0.5
121.06479	0.2
121.10126	0.2
123.00776	0.4
124.01572	0.4
128.06235	0.1
129.07007	0.3
131.04910	0.2
132.05707	2.3
133.06506	0.7
133.10095	0.2
135.04396	0.6
137.02345	0.3
137.05960	0.9
138.03130	0.2
139.03883	0.5
143.08545	0.3
145.10146	0.4
147.04417	0.3
147.11655	0.2
148.05209	0.4
149.09763	0.1
151.03911	0.2
152.01015	0.3
153.06982	0.3
155.08551	0.3
155.48526	0.1
156.09320	0.1
157.06467	0.3
157.08939	0.1
157.10114	0.3
161.05975	0.3
163.03827	0.3
165.07007	0.2
166.02600	0.4
167.03447	0.7
168.05696	0.9
169.01358	0.7
169.06480	0.2
169.10095	0.1
171.04399	0.4
171.11734	0.2
172.08841	0.3
173.09576	0.2
175.03899	0.2
175.07579	0.2
176.04692	0.3
181.06555	0.3
182.07265	1.5
183.08044	2.0
183.11647	0.3
184.03677	3.4
184.05058	0.1
185.06035	1.0
185.35713	0.1
187.11201	0.1
193.04747	0.1
195.11627	0.1
196.05225	1.5
197.05974	1.2
197.09587	0.1
197.13332	0.2
199.07607	0.3
200.08315	0.5
208.05136	0.2
210.06731	1.1
211.07545	2.9
212.04721	0.2
212.08281	0.2
213.05458	1.7
215.10620	0.2
222.81963	0.1
224.04678	0.7
225.05504	0.8
225.16524	0.1
227.07024	2.9
228.07832	1.6
239.07027	4.6
240.07803	0.5
241.04942	2.0
243.10184	5.4
252.04208	0.4
253.04909	0.3
255.06499	1.9
256.07303	12.4
257.07715	0.2
267.06540	1.6
267.13721	0.1
268.07468	0.2
269.04453	0.6
281.18875	0.2
283.05994	2.8
284.06787	23.2
285.07089	0.4
299.09131	100.0
300.09439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
51.75454	0.1
54.18902	0.1
55.01851	0.2
55.05478	0.3
57.03418	0.2
58.17606	0.1
61.30114	0.1
64.16606	0.1
67.05507	0.8
68.21337	0.1
68.99769	0.3
69.03408	0.3
69.07032	0.3
69.48057	0.7
70.06563	0.2
71.04990	0.1
72.08109	0.4
73.10797	0.1
73.87589	0.1
79.05458	0.5
81.03407	0.2
81.07083	0.7
83.04962	0.1
84.08130	0.1
91.05481	0.7
93.07040	0.7
95.04942	0.2
95.08565	0.6
97.02856	0.3
97.06512	0.2
97.10150	0.1
98.09673	0.3
103.05463	0.1
105.07031	1.0
107.04254	0.1
107.04911	0.5
107.08569	0.5
108.02087	0.1
109.02827	0.1
109.06467	0.2
109.10109	0.5
111.04420	0.3
117.06945	0.1
118.04110	0.5
119.04900	0.5
119.08566	0.6
121.06480	0.4
121.10098	0.3
123.00794	0.8
123.08035	0.2
124.01549	0.4
125.09619	0.2
128.06180	0.2
129.07025	0.7
131.04895	0.3
131.08516	0.3
132.05719	1.5
133.06506	1.1
133.10115	0.4
134.07222	0.4
135.04379	0.5
135.11710	0.2
137.02357	1.1
137.05957	0.6
138.03154	0.1
139.03870	0.3
141.06941	0.4
142.07735	0.2
143.04944	0.1
143.08563	0.3
145.06447	0.2
145.10086	0.6
147.04399	0.3
147.08003	0.2
147.11661	0.2
148.05179	0.3
149.02350	0.2
149.09595	0.2
151.00261	0.6
151.03899	0.2
152.01047	1.7
152.06212	0.2
153.01819	0.3
153.06972	0.4
155.08507	0.3
157.06474	0.7
157.10103	0.5
159.08083	0.3
159.11742	0.2
161.05983	1.9
161.09511	0.2
163.11131	0.1
166.02579	0.2
167.03380	0.4
167.04718	0.1
168.05719	1.2
169.01314	0.7
169.06509	0.4
170.02112	0.7
171.07982	0.2
171.11725	0.3
172.08821	0.4
173.09598	0.1
175.11125	0.2
176.04703	0.2
178.02553	0.1
181.06490	0.3
181.10081	0.1
182.07233	1.1
183.08061	1.9
183.11697	0.2
184.03671	2.1
184.05214	0.3
185.05978	1.1
185.13214	0.2
187.11194	0.1
195.04387	0.3
196.05211	1.2
197.06001	1.1
197.13268	0.3
199.07533	0.4
199.14806	0.2
200.08362	0.6
208.05159	0.2
210.06755	1.0
211.07570	2.5
211.14897	0.2
212.04869	0.3
212.08362	0.2
213.05452	1.9
221.05917	0.2
223.03937	0.2
224.04738	0.6
225.05576	0.6
227.07057	2.3
228.07813	1.2
238.06158	0.3
239.07037	4.5
240.07726	0.4
241.04967	2.9
243.10165	3.8
252.04208	0.7
253.04921	1.1
253.08723	0.2
253.19525	0.3
255.06549	1.9
256.07318	9.2
257.07849	0.2
267.06543	1.3
267.09280	0.2
268.03772	0.1
268.07352	0.3
269.04443	1.2
271.09668	0.5
281.18896	0.2
283.06052	1.7
284.06799	46.2
285.07147	0.9
299.09146	100.0
299.19977	1.8
300.09534	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0914
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
55.01862	0.3
55.05497	0.3
57.03431	0.2
60.66235	0.1
65.03912	0.2
67.05490	0.6
68.99774	0.3
69.03410	0.2
69.07082	0.7
70.06557	0.3
71.04973	0.1
71.55090	0.1
72.08124	0.4
79.01860	0.1
79.05499	0.6
81.03401	0.2
81.07054	0.8
83.04946	0.1
84.08135	0.2
86.09665	0.3
88.36609	0.1
91.05473	0.7
93.07021	0.5
95.01310	0.1
95.04928	0.3
95.08617	0.6
97.02870	0.2
98.09665	0.2
103.05468	0.2
105.07039	0.9
107.04959	0.5
107.08611	0.5
109.02892	0.2
109.06474	0.2
109.10122	0.4
111.04430	0.5
115.05457	0.2
116.07075	0.2
117.03307	0.1
117.07011	0.3
118.04140	0.3
119.04921	0.2
119.08578	0.7
121.06489	0.3
121.10136	0.4
123.00798	0.3
123.11738	0.1
124.01563	0.5
125.05960	0.1
128.06223	0.2
129.06981	0.3
131.04880	0.2
131.08549	0.3
132.05724	1.9
133.06487	0.8
133.10127	0.5
135.04428	0.6
135.08028	0.3
135.11749	0.2
137.02316	0.3
137.05966	0.8
137.09543	0.2
138.03078	0.3
139.03937	0.6
139.05302	0.1
140.06223	0.1
140.10696	0.4
142.07802	0.2
143.04869	0.3
143.08548	0.3
145.06485	0.2
145.10147	0.5
145.70003	0.1
147.04417	0.3
147.08008	0.2
147.11673	0.3
148.05186	0.3
149.02367	0.1
149.09671	0.1
151.03903	0.2
151.11162	0.2
152.01073	0.4
152.04897	0.1
152.06197	0.3
153.05486	0.1
153.06975	0.3
155.08556	0.2
157.06471	0.2
157.10097	0.4
159.11644	0.3
161.05991	0.2
161.09662	0.1
163.03838	0.2
165.06970	0.2
165.12744	0.2
166.02611	0.4
167.03407	0.5
167.04695	0.1
168.05754	0.9
169.01318	0.5
169.06493	0.2
169.10205	0.1
171.04420	0.2
171.08069	0.2
171.11658	0.2
172.08798	0.2
175.03889	0.3
175.07536	0.1
175.11226	0.2
176.04663	0.3
181.06491	0.3
182.07256	1.6
183.08083	2.1
184.03680	3.3
185.05997	0.9
185.13237	0.2
187.07481	0.1
193.05008	0.1
196.05229	1.5
197.05940	1.4
197.09579	0.1
197.13252	0.2
199.07581	0.4
199.14879	0.2
200.08278	0.5
208.05237	0.2
210.06783	1.0
211.07541	3.3
212.04634	0.2
213.05510	1.4
213.09242	0.1
224.04617	0.5
225.05466	0.8
226.06239	0.2
227.07034	3.0
228.07784	1.6
238.06311	0.2
239.07030	4.7
240.07703	0.2
241.04965	2.1
243.10168	5.3
252.04213	0.5
253.04971	0.3
253.08537	0.2
253.19537	0.2
255.06567	1.6
256.07312	12.8
257.07758	0.2
267.06516	1.8
267.16061	0.2
268.07254	0.3
269.04434	0.5
271.09689	0.3
281.07965	0.1
281.19037	0.3
283.02975	0.2
283.06024	2.7
284.06790	22.9
285.07141	0.4
299.09137	100.0
299.20074	1.3
300.09509	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0915
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
50.36830	0.2
53.03941	0.2
53.40811	0.2
55.05510	0.3
67.05502	0.7
69.03408	0.3
69.07058	0.4
75.25029	0.2
79.05505	0.5
81.07049	0.4
83.08607	0.4
91.05475	1.3
93.07041	0.5
95.04982	0.3
95.08632	0.5
103.05468	0.2
105.07059	0.9
106.19827	0.2
107.04914	0.2
107.08580	0.4
108.02077	0.2
109.10185	0.2
109.57450	0.2
111.04457	0.5
116.06178	0.2
119.04921	0.7
119.08585	0.9
121.06498	0.3
121.10164	0.2
123.00764	0.3
124.01578	0.6
129.07007	0.6
131.08571	1.2
132.05721	2.0
133.06445	0.8
135.04436	0.6
137.05952	0.8
138.03145	0.3
139.03915	0.7
143.08611	0.3
145.10109	0.4
147.04401	0.2
148.05249	0.3
151.03882	0.2
152.01027	0.4
153.06963	0.6
155.08589	0.3
157.06528	0.4
157.10075	0.4
159.06834	0.3
159.08063	3.8
161.13223	0.3
163.03900	0.3
165.06958	0.2
166.02687	0.3
167.03415	0.7
168.05719	1.3
169.01329	0.5
169.06422	0.3
169.10057	0.2
171.04419	0.4
171.11668	0.5
176.04700	0.4
181.06488	0.4
182.07236	1.2
183.08072	2.3
183.11670	0.3
184.03680	3.2
185.05949	0.9
196.05183	1.3
197.05998	1.0
197.13246	0.3
199.07591	0.3
200.08351	0.5
201.12938	0.2
210.06822	1.0
211.07567	2.8
212.04797	0.3
212.47462	0.2
213.05460	1.4
224.04732	0.6
225.05496	0.8
227.07031	2.8
228.07808	1.6
239.07024	4.2
240.07799	0.4
241.04956	1.9
243.10182	5.3
251.53404	0.2
252.04250	0.5
253.04944	0.4
255.06532	1.7
256.07309	12.1
257.07654	0.2
267.06573	1.4
267.45108	0.2
269.04544	0.4
273.07974	0.3
281.19025	0.7
283.06033	2.8
284.06802	22.6
285.07275	0.4
299.09146	100.0
299.19986	2.5
300.09485	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	299.0912
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
52.78691	0.2
55.05493	0.4
67.05491	0.3
68.99773	0.3
69.07040	0.2
69.87520	0.9
70.06580	0.3
72.08123	0.2
79.05505	0.2
81.07053	0.5
91.05473	0.3
93.07040	0.2
95.08582	0.2
97.02880	0.2
98.09659	0.2
98.20840	0.3
105.07018	0.5
107.04939	0.5
107.08535	0.2
108.02096	0.2
109.10144	0.4
111.04415	0.4
115.93961	0.2
117.07029	0.2
118.04142	0.3
119.04950	0.2
119.08562	0.4
121.06476	0.3
123.00818	0.2
124.01566	0.4
128.06206	0.2
129.06987	0.3
132.05704	2.0
133.06462	0.7
133.10077	0.4
135.04388	0.7
137.02264	0.2
137.05948	0.5
139.03876	0.5
141.07014	0.2
143.04930	0.2
143.08482	0.2
145.43857	0.2
147.04411	0.3
148.05173	0.4
152.01060	0.3
152.06180	0.2
153.06950	0.2
157.06467	0.4
158.07214	0.2
163.03914	0.2
166.02563	0.3
167.03383	0.5
168.05765	0.8
169.01335	0.3
169.06487	0.3
171.04391	0.3
171.08002	0.3
172.08861	0.2
176.04604	0.4
181.06421	0.2
182.07327	1.3
183.08087	1.9
184.03685	3.2
185.05949	1.0
185.13350	0.2
193.04883	0.2
195.04510	0.2
196.05249	0.9
197.05957	1.2
199.07474	0.3
200.08340	0.6
206.23279	0.2
210.06770	1.1
211.07553	2.4
213.05466	1.5
213.12669	0.2
224.04691	0.6
225.05482	0.9
227.07019	2.7
228.07790	1.4
238.06236	0.3
239.07025	4.1
240.07768	0.4
241.04979	1.7
243.10188	5.0
252.04193	0.6
253.05040	0.2
255.06487	1.7
256.07321	11.4
267.06509	1.5
268.07230	0.4
269.04410	0.5
271.09644	0.3
281.18848	0.2
283.06009	2.9
284.06793	21.5
285.07022	0.4
299.09137	100.0
300.09497	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	299.0912
Annotation	RETUSIN 7-METHYL ETHER
Peak:m/z	Relative Intensity
55.05513	0.2
63.77686	0.1
67.05515	0.3
68.99795	0.4
69.07061	0.2
71.24258	0.3
72.08151	0.2
79.05486	0.4
81.03429	0.2
81.07047	0.4
86.77253	0.1
91.05491	0.3
93.07051	0.2
93.26405	0.1
95.01356	0.1
95.08604	0.4
97.02879	0.2
98.09705	0.1
103.05437	0.1
105.07030	0.6
107.04971	0.2
107.08624	0.2
108.02106	0.2
109.02892	0.2
109.10155	0.2
111.04442	0.5
117.03326	0.2
118.04193	0.3
119.04929	0.2
119.08614	0.3
121.06510	0.3
121.10132	0.1
123.00787	0.2
124.01580	0.5
128.06233	0.2
129.07004	0.2
131.05008	0.2
132.05707	2.5
133.06514	0.9
135.00700	0.2
135.04414	0.7
137.05952	0.9
138.03136	0.3
139.03918	0.6
143.04932	0.2
145.10074	0.3
147.04417	0.2
148.05138	0.2
151.03925	0.3
152.01051	0.5
152.06140	0.3
153.07037	0.2
155.08607	0.2
156.09482	0.1
157.06458	0.4
159.08044	0.2
159.11647	0.1
161.05984	0.1
163.03893	0.3
165.06943	0.3
166.02640	0.5
167.03392	0.7
168.05710	1.4
169.01375	0.4
169.06487	0.4
171.04344	0.3
171.08052	0.3
171.11748	0.2
172.08824	0.3
175.03920	0.3
176.04733	0.2
181.06496	0.2
182.07306	1.2
183.08066	2.2
184.03683	3.3
184.05237	0.3
185.06029	1.1
185.13199	0.2
196.05199	1.3
197.05975	1.4
199.03856	0.1
199.07562	0.5
199.14876	0.2
200.08339	0.5
208.05183	0.2
209.05927	0.1
210.06793	1.3
211.07553	3.1
212.04602	0.3
212.08250	0.1
213.05450	1.9
224.04726	0.7
225.05458	0.7
226.06256	0.1
227.07036	2.9
227.08829	0.1
228.07794	1.3
239.07037	4.3
240.07776	0.3
241.04950	2.2
242.05498	0.2
243.10190	5.2
252.04266	0.6
253.04944	0.4
253.08595	0.2
255.06522	2.0
256.07324	12.3
257.07785	0.2
267.06537	1.6
268.07312	0.3
269.04434	0.7
271.09641	0.1
283.06024	2.4
284.06799	22.9
285.07184	0.4
299.09140	100.0
300.09454	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	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
57.03433	0.2
61.01155	4.8
64.18224	0.2
64.21954	0.2
67.02980	0.2
69.03424	0.4
69.80882	0.8
72.08150	0.3
75.02703	2.0
76.58948	0.2
82.31542	0.2
94.04063	0.5
97.02896	1.7
98.20815	0.3
103.02178	0.3
108.55266	0.2
110.92706	0.2
119.03567	1.0
136.06189	100.0
137.04596	0.5
137.06561	0.3
145.03183	1.3
154.05064	0.2
163.04213	1.3
196.04291	0.3
298.09692	3.2
304.08765	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	298.2741
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
50.94140	1.0
53.03945	1.4
55.05268	1.2
55.05515	15.7
56.05035	8.8
57.07067	4.6
58.02948	2.5
60.04512	4.0
67.05172	1.6
67.05511	25.8
68.05025	2.6
69.03423	1.8
69.07072	17.8
69.57303	6.2
69.57720	2.0
71.08644	6.9
72.04491	1.1
72.08955	2.5
79.05495	14.1
80.05003	2.8
81.03411	1.6
81.07067	21.4
82.06586	6.7
82.07388	3.8
83.04976	2.0
83.08610	9.6
84.08154	1.4
85.10186	3.1
86.06042	3.1
91.05492	9.2
92.05825	1.3
93.07057	9.4
93.29545	1.1
94.06561	4.1
95.04956	1.3
95.08616	15.0
95.50642	1.0
96.08135	3.5
96.08943	3.2
97.06502	2.4
97.10159	4.6
98.06052	1.4
99.08087	3.9
100.07630	2.5
100.08403	2.2
105.07024	4.1
106.07394	1.3
107.08603	5.1
108.08109	1.5
109.10169	7.2
113.09624	2.4
119.08564	4.1
121.10148	5.1
122.09637	1.8
123.11754	1.5
125.09656	1.0
133.10150	5.0
135.11725	2.8
136.06194	7.2
147.11671	3.3
148.12016	3.2
157.33420	1.0
174.13603	1.3
188.78505	1.1
189.16209	1.1
191.67542	1.1
242.52014	0.9
244.21613	1.2
250.25317	8.1
262.22620	2.4
262.25293	3.7
280.23648	6.7
280.26361	100.0
298.26929	1.1
299.05875	1.4
299.09082	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	299.0911
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.05490	0.5
65.03905	0.2
67.05468	0.7
69.03412	0.3
69.07052	0.6
71.98449	0.2
72.08144	0.4
79.05457	0.7
81.03394	0.4
81.07034	0.8
83.08617	0.2
91.05457	0.9
93.07018	1.0
95.08586	1.0
97.02868	0.5
98.09631	0.4
105.07038	1.7
107.04940	0.5
107.08575	0.4
109.10146	0.7
118.04121	0.4
119.04913	0.7
119.08543	0.9
121.06487	0.4
121.10139	0.9
122.91412	0.2
123.00784	1.1
123.11649	0.4
124.01555	0.3
129.06996	0.6
131.04961	0.3
131.08574	0.6
132.05701	1.0
133.06487	1.5
133.10167	0.5
134.07239	0.3
135.04404	0.4
137.02367	1.4
137.05963	0.3
139.05394	0.3
141.06967	0.5
143.08585	0.3
145.10196	0.6
147.04407	0.4
147.07996	0.3
147.11676	0.5
147.12810	0.2
148.05193	0.3
149.09590	0.3
151.00278	1.2
152.01038	3.1
152.87225	0.2
153.01875	0.3
153.06911	0.5
154.07797	0.3
155.08563	0.4
157.06448	0.5
157.10156	0.6
159.11670	0.4
161.05986	2.9
165.06963	0.2
167.03314	0.3
168.05724	1.3
169.01320	0.5
169.06453	0.6
169.10072	0.3
170.02074	0.8
171.08118	0.3
171.11681	0.4
172.08784	0.4
178.02640	0.3
181.06459	0.3
182.07245	0.7
183.08073	1.3
183.11697	0.3
184.03658	0.5
185.05983	1.3
185.13275	0.4
195.04448	0.4
196.05200	1.1
197.05928	0.8
199.07559	0.4
200.08432	0.3
201.12749	0.3
210.06757	0.9
211.07533	2.3
213.05487	2.6
215.13971	0.2
224.04602	0.9
225.05539	0.5
227.07013	1.4
228.07774	1.1
239.07045	4.3
241.04980	4.0
243.10121	2.3
252.04141	0.9
253.04955	1.6
253.19539	0.3
255.06541	1.6
256.07291	7.6
267.06403	0.4
269.04474	2.2
281.07996	0.3
283.06027	1.0
284.06796	64.5
285.07120	1.1
297.07483	0.3
299.09146	100.0
299.19952	1.9
300.09525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0915
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.05483	0.3
67.05463	0.6
69.07043	0.4
70.14666	1.0
79.05452	0.8
81.07037	0.5
83.08553	0.2
91.05437	0.7
93.06998	0.6
95.08588	0.5
103.05448	0.2
105.07017	1.9
107.04893	0.4
109.02840	0.2
109.10121	0.5
118.04135	0.3
119.04935	0.6
119.08542	0.2
121.02763	0.2
121.06467	0.6
121.10040	0.2
123.00799	1.7
124.01551	0.4
129.06972	0.6
131.04935	0.3
132.05655	0.8
133.06500	1.5
133.10112	0.2
134.07225	0.5
135.04395	0.3
137.02335	1.5
139.05421	0.3
145.06531	0.2
145.09966	0.3
147.04236	0.2
147.11682	0.3
148.05067	0.3
149.02361	0.4
151.00305	1.2
152.00006	0.3
152.01056	3.5
153.01823	0.4
157.06464	0.9
161.05992	3.6
163.03859	0.3
166.02580	0.4
167.03436	0.4
168.05696	1.2
169.01279	0.7
169.06506	0.5
170.02087	1.0
172.08913	0.2
178.02638	0.3
182.07234	0.9
183.08052	1.6
185.05945	1.1
195.04350	0.5
196.05150	0.7
197.05946	0.9
199.07581	0.5
200.08324	0.3
210.06723	0.6
211.07594	1.5
213.05489	2.0
224.04733	0.4
225.05447	0.5
227.07016	1.4
228.07800	1.0
230.04324	0.2
238.06224	0.4
239.07033	3.7
241.04958	4.3
243.06563	0.4
243.10172	2.0
252.04111	0.9
253.04951	2.2
255.06581	2.5
256.07336	6.5
267.06461	0.4
269.04486	2.4
281.45520	0.2
283.06042	0.5
284.06799	71.4
285.07205	1.1
299.09152	100.0
300.09412	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	298.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01858	1.2
56.05040	9.3
58.99572	1.3
60.04521	1.9
61.01155	5.9
65.03933	4.5
67.01869	2.1
67.05502	3.9
69.03452	1.9
70.06595	10.2
71.54314	1.4
72.08153	5.8
73.02901	1.1
74.00667	2.5
74.06082	5.2
74.99033	1.0
75.02695	2.4
79.05502	7.8
81.03417	2.3
81.07053	1.6
84.04510	21.0
84.08157	2.7
85.01132	1.9
85.02917	1.2
86.09708	7.1
88.03985	11.3
89.03906	1.4
89.06017	2.5
91.05484	5.0
93.03412	3.1
93.07008	1.3
94.04179	2.7
95.04969	4.7
97.01122	3.8
97.02877	3.3
98.01901	2.8
98.09692	2.1
99.02691	2.0
102.00131	3.5
106.05006	1.9
107.04971	4.1
108.08096	1.4
109.01040	1.2
109.02821	1.3
110.07198	1.5
110.99049	2.6
111.04453	1.3
112.03963	2.7
113.04245	2.5
116.00393	1.1
117.03391	1.4
120.08107	4.3
121.02818	1.9
121.08425	2.4
123.02619	2.0
123.04454	10.1
124.07568	1.3
125.00564	3.2
126.01366	3.0
127.02155	1.9
130.05038	6.9
134.09718	1.8
135.02628	2.3
135.04410	1.3
136.04002	6.6
136.06197	100.0
141.03717	7.2
145.02925	2.4
145.05241	1.2
146.06065	2.7
146.60495	1.1
148.00610	1.4
150.03726	8.1
150.05486	4.6
151.02122	5.7
151.07564	5.2
153.00061	8.1
154.00890	6.9
154.04997	5.4
155.01616	1.7
161.00595	4.8
162.05528	2.1
163.02136	4.1
163.04071	1.7
163.06306	2.8
166.04910	1.2
167.01680	1.2
168.06572	2.5
169.03198	76.9
177.05455	4.5
178.03229	38.5
179.01653	18.4
179.03192	1.7
179.04019	1.8
180.04945	1.5
184.04182	2.1
189.00095	4.1
196.04289	66.8
197.02690	3.9
207.01114	3.5
210.05873	2.8
220.04346	3.0
221.02696	1.1
224.03766	35.6
225.02127	10.0
238.05309	15.1
239.11206	2.0
252.06984	1.5
262.17953	2.3
266.13907	1.5
280.19110	15.4
298.07391	5.9
298.09891	3.4
298.16693	3.6
298.20004	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	298.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	9.7
60.04512	1.9
61.01145	2.9
65.03922	5.1
65.15399	0.9
66.75018	0.9
67.01876	3.7
67.05499	5.0
69.07070	1.0
69.89855	4.5
69.90220	1.9
70.06595	2.0
72.08148	3.3
74.06088	8.3
79.05498	11.3
81.03416	1.9
84.04507	26.1
84.08181	1.9
84.97507	1.3
86.09703	1.4
87.13304	1.0
88.03988	13.1
89.03961	1.3
91.05484	3.1
93.03417	3.3
94.04197	3.7
95.04976	5.5
97.01117	5.0
98.01906	4.7
101.00627	2.1
107.04941	4.6
108.05747	1.9
109.01125	1.9
109.02896	1.2
110.99043	3.7
112.03951	6.9
113.04228	5.1
117.05766	1.6
121.02874	2.6
122.03648	1.4
123.02650	4.9
123.04436	12.7
125.00597	3.0
126.01358	6.8
127.02155	2.8
130.04991	11.4
133.01096	1.5
134.06073	2.3
135.02690	2.3
136.03938	3.3
136.06189	12.1
138.05466	1.2
141.03697	8.4
146.05962	2.5
146.35455	0.9
149.00571	1.2
150.03743	9.9
150.05537	1.5
151.02089	4.9
153.00047	11.1
154.00842	10.0
154.04980	1.9
155.01619	3.4
156.18059	1.1
161.00597	5.8
162.05534	3.2
163.02135	6.9
163.06316	3.2
167.01625	1.3
169.03192	100.0
170.03502	1.5
178.03220	53.0
179.01633	22.4
179.03189	1.4
179.03995	3.2
180.04906	1.9
184.04333	3.2
189.00104	7.7
193.03207	2.5
196.04288	85.9
197.02739	3.4
207.01152	4.3
210.05855	5.3
211.04344	1.3
220.00703	1.9
220.04291	2.6
224.03763	54.7
225.02173	18.5
238.05339	20.4
252.06949	1.9
256.06396	4.7
266.04739	1.9
298.07315	9.8
298.16541	1.5
300.06073	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.01859	2.4
55.05518	12.2
57.03427	2.6
57.07062	5.6
60.18262	1.9
63.54673	2.3
67.05511	30.7
69.07074	13.4
69.50388	16.7
71.04992	2.7
71.08636	100.0
74.39359	2.3
79.05498	19.3
81.06596	2.9
81.07062	51.2
83.04960	3.2
83.08630	12.0
91.05474	18.4
93.07047	17.3
95.04976	3.2
95.08609	35.0
97.06506	3.0
97.10177	5.6
99.08101	82.3
99.08755	4.6
100.66463	2.2
105.07046	19.5
107.08607	13.4
109.10160	14.0
113.09558	2.0
117.07014	4.7
119.08593	15.9
121.10139	12.9
123.08033	2.5
123.11678	7.9
127.11165	5.4
131.08546	8.4
133.10139	4.1
135.11710	10.3
137.13216	4.0
145.10117	8.5
147.11691	49.5
149.09653	3.2
149.13225	7.1
151.14801	2.3
153.12791	10.3
159.11693	6.9
161.13229	6.7
163.11176	8.5
163.14854	14.3
165.12790	15.8
167.14301	4.6
173.13255	8.6
173.75841	2.2
177.12704	2.1
181.15894	7.3
187.14771	2.6
204.85574	2.2
211.14807	2.8
233.08072	2.1
243.21143	14.6
251.23709	2.4
261.22144	18.2
279.23230	49.5
279.26242	2.5
297.21866	3.9
297.26068	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	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03942	5.3
53.10811	1.9
55.01873	8.6
55.05515	75.8
57.03429	5.7
57.07068	14.7
58.24594	2.0
59.05008	3.0
61.89544	2.0
67.05510	92.1
69.03433	5.2
69.07073	64.9
69.22775	24.4
71.04998	8.1
71.08633	14.8
79.05498	43.5
81.06580	5.1
81.07062	100.0
83.04990	7.4
83.08622	45.0
85.06547	10.4
85.10194	2.9
91.05495	14.2
93.07054	45.1
95.04956	3.5
95.08618	76.2
97.06550	14.3
97.10178	53.1
99.08092	10.3
105.07043	16.6
106.58199	2.4
107.08620	40.9
109.06512	3.7
109.10163	53.1
111.08107	7.9
111.11733	3.7
117.07030	5.2
119.08575	12.5
121.10153	23.2
123.08084	2.7
123.11723	19.4
125.09632	35.5
127.11181	4.8
128.06300	2.5
131.08588	8.0
131.53569	2.5
133.10136	9.5
135.08078	4.5
135.11697	35.4
137.09639	3.7
137.13246	13.6
143.08569	3.7
145.10141	9.1
147.11708	12.0
149.13274	10.1
151.14865	7.3
153.11636	2.5
153.12766	10.2
157.10103	3.3
159.11682	11.2
161.13255	7.3
163.11099	4.3
163.14821	7.1
171.10283	5.8
171.11670	3.9
173.11882	4.4
173.13286	12.1
175.14856	4.7
177.12807	3.5
177.16370	2.8
179.14389	2.6
183.13852	6.9
185.13408	2.5
187.14833	6.6
189.11234	22.5
191.14330	4.0
195.14026	2.9
199.14679	2.8
201.16341	3.9
209.15356	3.8
223.16930	3.6
227.18045	4.2
233.22678	3.4
243.21126	12.0
251.23718	3.7
261.22165	29.5
279.23203	77.2
294.69296	2.4
297.18686	4.4
297.21924	3.7
297.26038	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03936	6.1
55.01875	15.2
55.05515	76.8
56.05840	4.0
57.03432	7.2
57.07066	10.4
65.03928	3.0
66.85689	3.0
67.05508	92.8
68.05840	6.6
69.03415	9.3
69.06722	4.3
69.07074	60.1
69.22449	24.1
70.07394	3.7
71.04976	8.8
71.08615	8.7
79.05505	39.7
80.05836	4.5
81.03425	3.0
81.07061	100.0
82.07381	4.8
83.05005	12.2
83.08614	33.8
84.05303	3.0
84.08949	2.9
85.06536	9.0
90.76934	2.2
91.05466	19.9
93.07050	47.5
94.07378	4.4
95.05003	3.5
95.08611	75.8
96.08934	3.5
97.06539	17.5
97.10175	39.3
99.08092	5.5
105.07027	14.4
106.07397	3.6
107.08612	41.5
109.06470	2.9
109.10171	42.3
110.20506	2.4
111.04466	2.6
111.08053	10.6
111.11689	3.7
112.08411	2.8
117.07074	4.3
119.08597	12.1
121.10139	20.5
123.08048	3.3
123.11714	18.9
125.09644	22.8
131.08578	12.0
133.09204	3.4
133.10097	12.3
135.08081	5.7
135.10789	3.5
135.11702	24.6
136.06209	4.8
137.13290	11.7
139.11165	7.2
143.08667	2.9
145.10059	5.1
146.54378	2.3
147.11687	9.6
149.13254	8.4
151.11182	3.8
151.14841	5.6
152.11475	2.7
153.12776	5.6
153.91725	2.4
157.10146	4.0
159.11717	8.2
161.13248	5.5
163.14833	7.0
165.12810	5.5
166.07103	2.4
167.14458	2.4
169.10170	2.7
171.10178	3.5
171.11630	3.1
173.11804	3.7
173.13255	7.0
175.14842	3.5
187.14897	3.9
189.11220	19.0
191.14368	2.6
209.13318	3.0
209.15303	3.4
219.27682	2.3
233.15314	2.7
243.21065	7.1
261.22122	25.8
279.23166	68.3
297.23184	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	296.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25675	0.5
55.05500	0.9
59.04994	1.2
67.05489	2.1
68.05852	0.7
69.07063	1.0
70.06596	3.8
71.04992	0.8
71.35356	0.8
72.08155	7.2
73.08480	2.3
75.04482	5.6
79.05496	5.0
81.03422	0.7
81.07065	3.3
83.08605	0.7
84.08159	1.3
86.06071	4.3
86.09705	0.9
91.05484	1.6
91.10075	0.5
93.07037	1.3
94.06532	0.5
95.04990	0.8
95.08597	2.1
96.08134	1.3
96.08955	0.9
97.02890	2.3
98.06044	3.1
100.81394	0.5
103.05483	1.6
105.07031	24.8
107.08560	0.9
108.08913	0.6
109.10149	2.0
117.05759	2.5
117.07027	1.0
119.08588	2.1
121.10202	0.6
123.08047	3.8
124.07626	0.8
130.06512	1.2
130.08621	2.7
131.07310	18.5
132.08084	14.6
133.07610	1.5
134.09633	0.7
143.07388	0.6
144.08118	2.5
145.08882	7.2
146.09650	100.0
147.04372	0.9
148.11154	0.8
149.74153	0.6
152.07106	0.5
158.09651	12.0
159.10419	1.4
160.07590	4.7
160.11218	34.5
161.08315	0.9
162.09099	0.6
162.12663	0.7
163.03944	0.9
164.04259	1.5
172.07562	2.2
175.09967	0.6
176.06982	0.8
176.10638	0.8
187.09961	1.0
188.10709	5.7
190.12173	2.9
191.09366	0.8
192.10182	14.0
192.13852	2.4
193.12350	0.6
206.11797	2.3
218.11792	6.0
220.13385	3.1
236.12953	0.7
246.11363	2.9
248.12865	1.9
250.14313	7.4
254.17477	1.6
260.16422	0.7
264.12424	1.8
265.08731	0.7
278.13922	23.5
296.06662	0.6
296.10403	2.0
296.15878	1.0
296.18649	3.0
296.22202	2.4
296.25842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	9-Hode
Peak:m/z	Relative Intensity
50.46444	3.2
55.01879	3.9
55.05523	20.2
56.82699	3.2
57.03450	5.0
57.07071	16.5
67.05515	63.0
69.03439	4.0
69.07070	24.2
69.31426	3.4
69.47674	6.9
69.48071	19.7
71.08637	100.0
79.05498	24.8
79.17123	3.2
81.07062	77.9
83.04999	5.6
83.08623	21.1
85.06557	6.5
85.10185	23.4
91.05479	21.6
91.51714	3.6
93.07052	24.8
95.04964	3.6
95.08608	56.8
97.06534	7.0
97.10154	10.6
99.08102	78.1
105.07033	19.8
107.08587	26.3
109.06493	4.2
109.10171	23.0
111.08116	7.7
113.09651	33.5
119.08583	15.0
121.10156	20.2
123.08031	4.7
123.11728	8.9
127.11241	3.7
131.08575	11.5
133.06494	16.3
133.10132	19.6
134.06894	3.6
135.08095	4.7
135.11719	9.4
137.13275	6.2
143.08621	4.4
145.10162	6.0
147.11697	39.3
149.13283	16.3
151.11220	5.7
153.12779	10.1
159.11739	9.8
161.13287	7.6
163.11229	7.4
163.14835	22.6
165.12749	14.5
167.14357	10.0
173.13347	7.2
177.12814	5.5
180.71078	3.4
181.15921	7.9
209.15605	3.7
243.21031	20.3
261.22083	22.7
279.20349	4.7
279.23224	77.1
280.26401	12.7
297.26288	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	297.2174
Annotation	CHEBI:44612
Peak:m/z	Relative Intensity
54.07527	0.3
55.01877	0.8
55.05519	1.3
67.05515	1.5
68.05035	0.7
69.03443	0.6
69.07079	0.7
70.06600	14.6
70.48199	0.7
70.48586	0.6
72.08163	100.0
77.38794	0.3
79.05506	1.3
80.05010	1.4
81.03437	0.3
81.07056	1.9
82.06598	0.8
83.04982	0.4
84.04501	1.0
84.08161	0.6
86.09716	0.3
91.05459	1.3
93.07051	1.6
94.06597	0.7
95.08608	1.0
96.04508	2.0
96.08149	1.3
97.02910	0.6
97.06544	0.4
98.06078	0.8
105.07034	1.4
107.04961	0.6
107.08620	1.2
108.08127	0.3
109.06565	0.6
109.10170	0.6
110.06053	2.4
111.04438	0.4
111.08096	0.5
111.09237	0.5
117.07114	0.4
119.08601	0.9
120.08164	0.6
121.10173	0.5
124.07602	3.7
131.08598	0.4
133.06560	0.6
133.10120	0.6
135.08069	0.4
135.11723	0.4
136.07603	0.8
137.06042	0.4
138.09157	0.5
147.11713	1.9
148.11411	0.3
150.09163	0.4
152.10712	0.4
157.10168	0.7
161.06033	0.5
164.10788	1.3
164.14412	0.7
165.12791	0.5
174.12746	0.4
175.11237	0.7
176.10709	0.3
177.01897	0.4
180.13879	0.7
181.05025	0.5
182.15462	0.5
190.12273	0.4
192.13861	2.3
193.12219	1.5
205.06487	0.4
208.13345	5.1
210.14891	4.2
211.13330	0.9
220.13365	1.4
226.14429	1.0
228.16055	2.8
234.18526	0.5
237.09192	0.5
238.14398	5.4
252.19577	2.2
254.24107	0.3
262.17999	2.0
265.08630	1.0
267.08713	2.0
273.47919	0.3
279.20706	20.2
280.19089	16.0
297.11227	1.3
297.21753	30.5
299.06128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25675	0.5
55.05500	0.9
59.04994	1.2
67.05489	2.1
68.05852	0.7
69.07063	1.0
70.06596	3.8
71.04992	0.8
71.35356	0.8
72.08155	7.2
73.08480	2.3
75.04482	5.6
79.05496	5.0
81.03422	0.7
81.07065	3.3
83.08605	0.7
84.08159	1.3
86.06071	4.3
86.09705	0.9
91.05484	1.6
91.10075	0.5
93.07037	1.3
94.06532	0.5
95.04990	0.8
95.08597	2.1
96.08134	1.3
96.08955	0.9
97.02890	2.3
98.06044	3.1
100.81394	0.5
103.05483	1.6
105.07031	24.8
107.08560	0.9
108.08913	0.6
109.10149	2.0
117.05759	2.5
117.07027	1.0
119.08588	2.1
121.10202	0.6
123.08047	3.8
124.07626	0.8
130.06512	1.2
130.08621	2.7
131.07310	18.5
132.08084	14.6
133.07610	1.5
134.09633	0.7
143.07388	0.6
144.08118	2.5
145.08882	7.2
146.09650	100.0
147.04372	0.9
148.11154	0.8
149.74153	0.6
152.07106	0.5
158.09651	12.0
159.10419	1.4
160.07590	4.7
160.11218	34.5
161.08315	0.9
162.09099	0.6
162.12663	0.7
163.03944	0.9
164.04259	1.5
172.07562	2.2
175.09967	0.6
176.06982	0.8
176.10638	0.8
187.09961	1.0
188.10709	5.7
190.12173	2.9
191.09366	0.8
192.10182	14.0
192.13852	2.4
193.12350	0.6
206.11797	2.3
218.11792	6.0
220.13385	3.1
236.12953	0.7
246.11363	2.9
248.12865	1.9
250.14313	7.4
254.17477	1.6
260.16422	0.7
264.12424	1.8
265.08731	0.7
278.13922	23.5
296.06662	0.6
296.10403	2.0
296.15878	1.0
296.18649	3.0
296.22202	2.4
296.25842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2632
Annotation	Methyl linoleate
Peak:m/z	Relative Intensity
55.05515	60.7
55.92071	4.3
57.07074	27.5
58.19907	4.7
67.05509	60.4
69.07066	85.4
69.29700	48.0
71.04992	8.3
71.08613	12.0
79.05494	25.9
81.06588	6.1
81.07063	100.0
83.04971	11.9
83.08614	64.7
91.05475	31.1
93.07047	39.1
93.75436	5.2
95.08044	8.5
95.08604	86.8
97.06536	22.4
97.10159	47.3
99.08059	6.0
105.07048	32.1
107.08604	32.2
109.10150	48.1
111.08075	10.3
111.11725	18.2
119.08590	36.5
121.10166	24.2
123.08019	7.7
123.11710	21.5
125.09605	12.0
125.13314	6.3
129.30205	5.2
131.08516	5.7
133.10130	32.7
135.11684	20.7
137.09612	9.0
137.13283	12.8
147.11740	29.3
149.13245	20.6
151.14784	5.9
153.12755	6.7
161.13249	20.5
163.14818	16.2
165.12680	5.4
165.16440	7.6
167.14323	9.5
175.14833	18.2
179.17967	7.0
189.16284	7.2
219.20920	5.1
221.22556	7.1
245.22632	63.9
263.23709	59.5
295.16815	9.7
295.20026	5.8
295.24057	6.3
295.29944	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	295.2268
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03937	10.8
53.25815	4.3
55.01875	62.8
55.05517	62.0
57.03433	8.3
57.07068	19.0
65.03957	6.2
67.05170	6.6
67.05505	74.2
69.03414	7.5
69.07080	37.7
69.47939	4.4
71.04993	13.5
71.08630	67.1
71.55399	6.7
72.52403	4.5
79.05486	55.6
81.03425	17.5
81.07066	74.5
83.04978	19.3
83.08607	40.9
85.02923	5.7
85.06535	6.6
91.05489	64.7
93.07044	65.5
94.07404	5.8
95.04981	18.3
95.08603	57.6
95.56696	5.2
97.06533	24.1
97.10165	14.9
99.08109	52.5
105.07030	52.5
107.04971	12.1
107.08582	40.5
109.06493	8.1
109.10166	27.6
111.08082	58.0
113.09666	11.3
117.06987	7.7
119.08600	21.9
121.10155	30.1
123.08089	8.8
123.11694	9.0
125.09585	9.1
129.07013	6.4
131.08586	8.6
133.10101	28.9
135.11714	22.3
137.13301	5.4
143.08588	7.7
145.10107	16.4
147.11711	26.7
149.09656	10.6
149.13240	16.0
151.11180	39.0
153.12769	9.3
157.10144	9.3
159.11786	7.7
161.13281	30.3
163.03973	5.9
163.11174	26.6
165.12782	25.0
171.11761	12.9
173.13309	11.1
175.11221	9.8
179.14349	17.3
185.13168	9.1
200.14273	4.8
241.19408	10.8
250.08357	4.4
259.20648	11.4
277.21667	100.0
295.22507	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	295.2269
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	6.1
55.01876	70.0
55.05270	2.6
55.05516	45.2
57.03429	2.8
57.07072	8.8
59.04975	2.9
65.03928	3.9
67.05512	57.2
69.03431	5.5
69.07070	30.8
70.84734	5.4
70.85080	3.4
71.04992	7.2
71.08640	31.3
72.08156	2.4
72.93086	2.1
79.05496	40.2
79.70932	2.4
81.03431	11.2
81.06581	4.4
81.07061	68.3
83.04990	17.3
83.08627	32.3
84.08136	2.2
85.06521	4.9
85.10195	12.1
85.10610	2.3
89.03922	3.6
91.05486	41.0
93.07044	48.3
94.06629	3.0
95.04984	22.6
95.08614	44.3
97.02905	3.2
97.06537	25.1
97.10177	6.7
99.08104	22.2
105.07046	35.3
107.04990	12.4
107.08586	30.1
109.06520	12.3
109.10168	21.5
111.04430	2.7
111.08088	69.7
111.11785	2.3
113.09650	10.6
117.03395	7.9
117.07007	6.4
119.08578	28.2
121.06503	5.5
121.10155	21.0
123.08062	7.2
123.11710	7.1
125.09650	7.8
128.06264	2.9
129.06996	7.6
131.08560	9.3
133.06476	2.4
133.10159	29.0
135.04440	19.3
135.08034	6.2
135.11699	12.9
137.09610	5.8
137.13264	2.9
139.11191	5.7
141.07018	2.6
143.08571	6.7
145.02850	9.0
145.10139	9.6
146.06000	7.9
147.11693	21.1
149.09619	11.7
149.13272	16.4
151.11212	26.0
157.10104	6.8
159.11685	5.9
161.09631	3.1
161.13231	14.0
163.03920	56.1
163.07591	3.0
163.11203	12.3
165.12791	23.7
173.13297	2.7
175.11205	5.8
175.14832	4.4
179.14413	13.6
185.13281	6.8
189.12944	2.6
193.12328	2.5
199.14760	3.7
207.13795	3.3
221.15329	5.6
231.21068	6.4
241.19565	7.1
249.22197	6.0
259.20639	10.1
277.21661	100.0
295.04477	32.2
295.09738	5.1
295.13120	4.0
295.17273	2.3
295.22659	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.40622	3.6
53.03951	4.7
55.01868	12.2
55.05510	23.2
57.03443	40.5
65.21404	3.4
66.77479	3.9
67.05510	64.1
69.07073	23.1
71.04994	4.0
71.08638	4.4
71.29664	8.1
72.29989	3.6
74.58551	3.5
79.05502	45.5
81.07063	100.0
83.04994	4.5
83.08627	18.2
85.06553	4.7
88.52013	3.5
91.05489	22.6
93.07042	57.5
95.05015	7.1
95.08617	83.0
97.06550	5.8
97.10158	13.1
98.21450	3.4
99.08128	7.7
105.07059	20.7
107.08602	38.5
109.06521	8.4
109.10162	26.6
109.10797	4.0
111.08067	13.4
113.09674	4.3
117.06999	7.4
119.08601	18.8
121.10151	38.8
123.08088	8.2
123.11714	12.1
131.08580	16.2
133.10130	21.9
135.11708	28.2
137.09621	6.9
145.10136	13.1
147.11681	8.4
149.13220	17.0
151.11179	8.7
159.11693	10.3
161.13269	7.5
165.12801	7.8
167.10640	3.9
171.11641	5.4
173.13329	4.0
175.14853	7.7
185.13293	6.8
187.14844	14.2
190.28391	3.9
205.15875	8.7
207.14029	4.1
207.17430	13.6
223.16971	6.5
241.19464	4.2
259.20651	14.3
276.73135	3.6
277.21674	73.5
295.22754	16.3
297.60114	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.36338	2.7
53.03952	19.9
55.01860	11.4
55.05516	24.1
57.03435	4.5
57.07060	4.3
67.05174	4.3
67.05505	58.9
69.07070	39.0
69.80460	5.4
69.80871	9.6
71.08636	4.7
79.05505	40.2
81.03419	63.3
81.07059	49.3
83.04990	17.8
83.08621	10.0
84.54906	2.6
85.10140	3.5
91.05482	19.6
93.07052	37.5
95.04972	40.8
95.08601	21.4
97.10170	7.7
98.20840	3.3
99.08115	3.3
105.07042	24.6
107.08595	26.6
109.06506	9.6
109.10162	14.9
112.90096	2.5
117.06989	4.2
119.08571	13.7
121.10157	10.4
122.55896	2.8
123.08081	4.3
123.11736	7.3
125.09621	8.6
129.06981	3.0
131.08594	6.4
133.10146	17.4
135.08023	5.7
135.11693	12.3
145.10089	5.4
147.11710	12.2
149.13289	9.9
151.11195	55.8
152.11566	3.2
153.09137	3.9
159.11630	3.4
161.13274	15.4
163.14767	6.8
165.12727	11.1
171.11623	5.5
173.13268	3.7
175.14830	5.5
179.14334	4.3
187.43451	2.9
189.12773	5.9
207.13834	4.4
217.19597	3.9
231.21103	12.5
241.19496	5.9
249.22166	6.7
259.20648	10.7
277.21640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03933	3.3
55.05516	21.4
57.07079	5.8
58.95624	2.7
65.03928	3.7
67.05506	58.7
69.07068	15.5
70.00507	15.2
71.08630	45.3
79.05495	42.3
81.03425	10.3
81.07060	48.6
83.04986	11.8
83.08623	12.5
85.83514	3.5
91.05479	27.7
93.07050	65.8
95.04978	8.3
95.08607	34.6
97.06548	12.0
97.10181	6.0
99.08093	29.0
105.07053	18.7
107.04939	6.1
107.08602	30.6
109.06484	4.9
109.10164	18.7
119.08597	18.9
121.10168	28.4
125.09703	3.3
129.07040	3.8
131.08569	4.4
133.10135	9.1
135.11700	36.5
137.09554	4.8
143.08475	3.7
149.13263	11.5
151.11180	13.8
159.11720	4.4
161.13275	10.6
163.11200	7.9
177.12843	5.6
179.14322	100.0
179.15834	6.0
221.15500	5.9
233.03070	2.8
235.16965	5.4
240.12935	3.4
244.27005	2.6
259.20609	4.1
277.21698	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	6.7
55.01626	2.9
55.01873	40.4
55.05512	69.0
56.19049	1.8
57.03443	10.6
57.07083	15.4
59.04992	2.1
65.03942	2.7
67.05508	86.0
69.03417	3.3
69.06723	3.4
69.07068	39.6
70.06615	2.1
71.04980	7.6
71.08635	21.4
71.55858	2.7
73.25495	1.6
79.05495	67.0
81.03425	13.0
81.07058	100.0
83.04981	21.6
83.08139	3.0
83.08619	46.3
85.06538	8.8
85.10205	8.6
91.05489	54.2
93.07046	80.1
95.04974	25.6
95.08607	69.1
96.08114	3.4
97.06534	18.2
97.10168	15.2
99.08086	16.2
105.07036	38.0
107.04950	6.4
107.08595	40.4
109.06511	10.4
109.10159	23.4
111.04432	2.2
111.07366	3.4
111.08086	44.3
113.09642	6.1
117.07007	7.7
119.08584	24.1
121.10138	30.2
123.08074	6.0
123.11701	11.2
125.09624	10.7
129.06985	8.8
131.08554	16.3
133.10124	35.5
135.08070	2.4
135.11696	21.8
137.09605	5.9
137.13257	4.3
139.11179	13.0
141.06956	2.0
142.07672	2.0
142.08647	5.1
143.08553	5.5
145.10123	5.3
147.08040	2.9
147.11690	23.3
149.09612	9.6
149.13269	19.4
151.11195	16.2
151.14868	1.7
153.12750	4.7
157.10124	9.3
159.11687	8.4
161.09625	2.9
161.13274	10.2
163.11220	5.4
163.14830	4.9
165.12775	16.4
167.14384	2.6
171.11717	6.7
173.13263	3.4
175.11188	8.6
175.14835	6.2
177.12747	5.4
179.14333	6.4
181.12309	2.2
185.13293	6.2
189.11208	5.3
189.12779	2.7
193.12242	6.0
195.13858	5.4
199.14676	2.9
207.13831	5.8
221.15367	4.1
231.21056	7.1
235.16982	2.1
241.19589	4.5
246.26149	1.8
248.93741	1.8
249.22177	9.0
250.21579	5.9
259.20547	13.2
277.18805	3.3
277.21637	96.2
285.25702	1.7
295.22693	89.6
296.22235	18.9
296.25397	2.1
296.26852	1.6
319.34308	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03951	8.1
55.01880	41.9
55.05519	63.7
55.28451	3.2
57.03427	11.4
57.07060	10.8
61.09569	3.3
67.05510	89.6
69.03425	5.3
69.07070	43.2
71.04993	6.7
71.08644	28.2
71.20576	6.2
79.05501	63.5
81.03409	10.9
81.07064	88.3
83.04981	25.2
83.08630	38.7
85.06530	9.5
85.10178	5.0
91.05480	49.8
93.07049	76.9
95.04980	24.9
95.08622	54.8
97.06535	14.6
97.10196	18.8
99.08105	27.3
105.07027	36.6
107.04971	5.2
107.08600	46.5
109.06507	10.7
109.10179	31.5
111.04475	3.5
111.08096	46.0
113.09669	5.2
117.07028	12.1
119.08585	25.4
121.10142	21.8
123.08052	6.8
123.11720	5.9
125.09634	15.2
129.06999	10.5
131.08568	9.8
133.10117	32.1
135.11690	19.3
139.11179	10.6
145.10204	5.2
147.11697	18.2
149.09601	9.8
149.13271	18.3
151.11200	15.8
153.12743	3.7
157.10120	8.0
159.11688	9.8
161.13225	16.8
163.11220	8.3
165.12773	15.6
167.10757	3.3
171.11690	3.5
175.11234	5.5
175.14888	6.6
177.12862	4.5
179.14268	7.0
185.13260	4.2
189.11234	5.8
195.13795	7.2
207.13788	3.7
221.15446	5.2
231.21051	6.4
241.19547	7.3
249.22249	5.3
259.20602	15.9
277.21652	100.0
295.22693	63.2
295.74557	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	295.2268
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03951	7.4
55.01871	16.4
55.05516	55.6
57.03440	6.2
57.07073	14.0
62.61497	3.3
63.18690	3.4
67.05173	6.9
67.05510	100.0
69.03413	4.6
69.07074	38.6
69.90980	7.7
69.91389	15.1
70.02457	3.5
71.05002	7.1
71.08638	41.5
79.05505	53.2
81.03416	17.6
81.07071	70.2
81.07534	7.4
83.04983	17.6
83.08622	17.2
85.06541	9.3
85.57826	3.5
91.05488	37.4
93.07044	68.0
95.04976	16.8
95.08617	41.5
97.06549	16.4
97.10175	23.4
99.08105	42.9
105.07037	31.8
107.04970	7.9
107.08593	39.5
109.06509	6.5
109.10162	27.9
111.08097	12.0
117.07007	9.3
119.08587	23.3
121.10157	22.4
123.08078	4.6
123.11760	4.9
125.09609	17.8
129.06979	4.2
130.60898	3.5
131.08611	6.7
133.10126	23.9
135.11682	21.3
137.09599	4.6
137.13280	3.8
141.14090	3.6
143.08574	6.1
145.10155	8.8
146.10631	4.4
147.11745	17.5
149.13295	11.2
151.11212	30.2
157.10175	5.0
161.13310	19.3
163.04060	4.6
163.11182	15.5
163.14835	8.4
165.12808	10.0
167.10808	4.3
171.11716	7.9
175.14894	10.1
177.12674	4.2
179.14331	20.3
189.11232	11.0
199.14850	4.8
228.12033	3.7
231.21187	4.3
241.19431	8.6
259.20599	11.4
277.21658	91.6
295.22626	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	295.227
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03941	7.7
53.37963	2.6
55.01875	20.3
55.05516	62.7
57.03437	16.2
57.07072	20.4
57.15412	3.0
61.92311	2.8
67.05508	94.3
69.03424	12.6
69.06728	4.1
69.07072	50.7
71.00385	4.5
71.00714	3.8
71.04988	9.9
71.08634	18.2
79.05495	64.8
81.03419	12.6
81.07064	100.0
83.04983	25.2
83.08618	29.0
85.02895	9.7
85.06542	6.9
91.05484	44.9
93.07054	91.5
94.32099	3.1
95.04985	17.9
95.08048	5.0
95.08614	62.6
95.09228	3.5
97.02888	10.5
97.06540	25.9
97.10184	14.1
99.08097	12.9
105.06370	5.1
105.07034	47.7
107.04948	4.3
107.08598	38.9
109.06532	10.0
109.10173	26.3
111.08095	20.7
111.36698	3.0
117.07017	8.8
119.08592	23.8
121.06480	3.8
121.10154	34.1
123.08081	10.6
123.11687	8.7
125.09644	9.7
125.86307	2.7
127.03946	4.0
129.06990	5.3
131.08560	10.1
133.06508	80.2
133.07506	4.4
133.10143	28.3
134.28192	3.0
135.08076	3.4
135.11699	26.9
137.09608	7.5
138.89366	2.8
139.11183	21.0
145.10139	3.8
147.11702	16.4
149.09659	4.0
149.13254	15.3
151.11198	13.3
153.12781	5.8
157.10095	6.6
159.11635	8.7
161.13266	10.8
163.14769	3.9
165.12755	10.7
171.11732	3.0
175.11211	8.1
175.14781	6.7
179.14363	7.7
189.11226	3.4
193.12218	8.3
199.14941	4.8
207.13768	3.5
217.19373	3.5
221.11873	3.7
221.15302	6.4
231.21111	6.4
241.19498	4.8
249.22136	3.7
259.20596	6.1
277.21646	74.8
295.22748	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	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.29033	2.0
53.03933	3.1
55.01856	3.6
55.05512	24.9
57.03441	22.6
61.32112	2.1
65.03932	3.0
67.05505	61.4
69.03437	18.0
69.07067	17.7
69.87135	10.3
71.04996	41.0
79.05492	44.7
81.07059	100.0
83.04961	5.9
83.08637	12.6
83.82508	2.1
85.06529	6.8
91.05482	29.6
93.07043	58.5
95.04962	6.3
95.08609	70.2
95.35264	1.9
97.06513	10.2
97.10168	7.1
99.08065	7.0
105.06369	3.0
105.07033	28.0
107.08599	41.7
109.06503	8.8
109.10157	26.5
111.08066	8.5
113.06023	2.3
113.09645	5.6
116.67249	2.1
117.06995	8.8
119.08576	24.8
119.88657	2.0
121.09315	3.5
121.10143	45.4
123.08081	12.5
123.11676	7.3
124.54647	1.9
125.09624	6.7
129.06976	3.3
131.08560	19.7
133.10146	21.0
135.10683	3.2
135.11687	25.0
137.09587	5.4
139.11156	4.1
145.10107	14.5
147.11708	15.9
149.09622	4.1
149.13260	11.8
151.11142	8.1
157.10144	4.6
159.11690	7.2
161.13274	9.9
163.14783	5.3
165.12827	4.2
167.10686	2.7
171.11664	6.8
173.13245	20.5
175.14833	6.7
177.12677	2.9
179.14314	3.1
185.13132	3.5
187.14828	13.3
189.16376	5.6
191.14299	9.1
199.14700	2.5
203.17961	2.8
205.15904	6.8
206.62848	2.7
207.17410	4.3
209.15379	3.0
221.19009	4.2
231.21187	2.6
240.73766	2.4
241.19612	11.0
259.20529	18.8
277.21637	61.6
295.22714	16.1
304.44168	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.28074	3.2
53.03930	9.1
55.01872	40.6
55.05514	57.9
57.07066	10.4
67.05182	5.4
67.05511	87.6
69.03427	5.9
69.07069	34.7
71.04975	6.4
71.08636	35.1
71.14903	7.2
79.05064	4.7
79.05499	60.4
81.03408	23.1
81.07061	76.7
83.04987	24.9
83.08615	33.2
85.06538	4.7
85.10179	8.4
89.23832	3.1
91.05487	42.7
93.07052	59.6
95.04984	17.6
95.08616	52.1
97.06522	21.2
97.10143	14.8
99.08093	32.2
105.07039	35.8
107.04949	6.1
107.08596	33.9
109.06535	10.8
109.10163	24.4
111.08087	40.1
113.09628	9.5
117.06980	9.6
119.08584	25.7
121.10115	22.6
123.08054	11.2
123.11680	7.8
125.09623	12.1
129.07019	3.9
131.08556	7.7
133.10130	23.9
133.81488	3.4
135.04414	6.0
135.08057	6.8
135.11685	20.1
137.09602	10.8
137.13277	7.2
139.11198	8.7
145.10126	11.4
147.11693	27.3
149.09627	9.2
149.13249	16.2
151.11189	38.6
153.12680	4.0
157.10127	4.0
159.11580	3.9
161.13269	16.7
163.03952	14.8
163.11205	13.8
163.14812	5.4
165.12764	21.3
167.14349	3.1
171.11653	7.6
171.52910	3.7
172.59779	3.0
173.13263	7.4
175.11143	4.2
175.14828	4.8
177.12740	4.9
179.14320	15.4
183.35385	3.3
185.13293	4.4
189.11238	6.5
193.12193	5.5
199.14799	3.6
207.13947	3.9
221.15417	6.5
231.21057	6.9
241.19521	7.3
249.22093	11.8
259.20627	16.9
277.21652	100.0
281.13730	3.1
295.04510	8.6
295.22687	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	16.9
55.01892	8.6
55.05521	51.2
57.07077	16.3
65.03939	8.4
67.05510	68.0
69.07076	38.5
70.78733	6.2
71.05010	13.3
71.08636	16.7
71.55539	6.7
73.54005	5.6
79.05507	65.7
81.03455	9.9
81.07067	98.5
83.04980	14.3
83.08636	18.5
90.40297	5.4
91.05487	61.8
93.07057	88.0
95.04978	52.2
95.08614	84.5
95.25138	5.7
97.06546	19.7
97.10172	12.3
99.08112	11.9
105.07044	82.1
107.08613	53.4
109.06528	16.2
109.10167	38.9
109.75887	6.2
111.08094	9.2
112.34824	6.5
117.07040	24.9
119.08598	97.3
121.06519	19.0
121.10123	45.5
123.08119	7.7
125.09644	7.5
128.06267	7.9
129.07048	15.5
131.08597	49.4
133.10143	100.0
135.08078	7.1
135.11705	21.3
139.11273	6.1
141.07050	8.1
142.07805	25.5
143.08578	45.3
144.09297	9.3
145.10132	61.6
147.11694	27.4
151.11217	16.6
155.08568	14.1
156.09384	13.7
157.10162	52.1
158.10933	26.1
159.11745	20.4
165.12793	7.8
168.09340	7.0
169.10164	25.2
170.10980	11.3
171.11676	36.9
173.13292	84.3
173.14680	9.8
175.11314	7.5
175.14825	10.5
181.10135	13.3
183.11667	27.4
184.12518	8.4
185.13293	17.2
187.14877	13.7
193.10017	8.3
195.11781	11.4
197.13306	26.8
197.91989	7.6
199.14833	23.4
207.11702	9.8
209.13304	22.1
211.14864	26.0
220.12624	6.6
221.13339	13.1
225.12662	6.6
235.14853	12.7
237.01814	6.3
237.16318	6.2
239.14375	10.0
251.18024	7.6
267.21115	6.0
277.19113	7.8
277.21924	31.5
295.20065	71.1
295.23206	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	295.2017
Annotation	Lycocernuine N-oxide
Peak:m/z	Relative Intensity
55.05508	0.7
56.96561	0.5
63.94625	0.3
67.05504	0.5
69.07061	0.6
69.33301	1.6
69.33742	1.1
70.06200	0.5
70.06594	19.9
72.08156	37.9
79.05470	0.7
80.13524	0.3
81.03387	0.3
81.07043	1.1
84.04449	0.4
93.07026	0.8
95.08604	0.9
96.04485	1.6
97.02923	0.5
97.06487	0.4
97.10143	0.5
98.21631	0.3
105.07029	0.7
107.08599	0.6
108.08152	0.4
109.10107	0.4
117.06950	0.4
119.08597	0.3
120.08121	1.8
123.08057	0.4
132.08107	0.7
134.08435	0.3
134.09608	0.5
135.04431	1.0
135.08051	0.5
135.11647	0.4
136.07587	0.7
140.52504	0.3
145.02843	0.5
145.10138	0.4
146.06033	0.6
148.07593	3.7
149.10742	1.2
150.09120	0.6
152.09430	3.4
162.09128	2.2
163.03902	3.8
163.07521	0.5
164.04189	0.3
165.10291	0.5
176.10703	0.8
180.13844	0.7
189.25488	0.4
190.12288	0.9
204.17526	0.5
208.13339	0.9
226.14508	0.6
231.18456	0.4
232.16942	3.1
242.15433	1.1
246.87473	0.3
249.19604	1.4
259.18048	1.7
260.16434	4.1
267.20734	0.5
277.19113	17.0
278.17609	0.4
295.20163	100.0
296.20483	1.3
303.04971	1.8
309.06100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.4
55.01880	67.2
55.05518	58.4
56.70996	4.5
57.03424	8.7
57.07073	9.9
65.03934	6.7
67.05186	6.5
67.05515	87.1
69.03426	12.3
69.07072	39.1
69.71125	3.6
69.75065	23.3
70.06600	7.1
71.04985	18.7
71.08633	31.3
72.08167	6.3
73.02888	4.4
79.05505	65.7
79.72721	3.8
81.03415	16.9
81.07062	100.0
83.05000	24.9
83.08624	39.6
85.02884	6.0
85.06533	8.1
85.10180	16.5
85.28343	4.0
86.09750	4.3
89.03954	6.2
91.05484	69.0
92.72489	3.8
93.07057	81.6
94.06565	4.8
95.04982	43.9
95.08616	64.8
97.02877	7.8
97.06551	31.3
97.10176	8.5
98.20721	5.8
99.04459	4.3
99.08094	16.9
103.05431	5.7
105.07042	70.3
107.04967	18.8
107.08598	41.1
109.06509	17.7
109.10183	31.3
111.08091	67.8
113.09638	13.7
116.40564	4.2
117.03355	12.6
117.07022	20.3
119.07796	5.3
119.08598	48.3
121.06533	8.2
121.10178	25.6
121.43941	4.4
123.08052	17.7
123.11686	6.9
125.09618	9.8
127.75227	3.6
128.06178	4.8
129.07018	18.0
130.26189	4.2
131.08589	22.0
133.06471	9.5
133.10144	40.0
135.04402	21.0
135.08000	4.3
135.11659	16.4
137.09593	8.9
139.11214	4.7
142.07774	11.2
143.08572	23.9
145.02856	15.4
145.10124	17.7
147.08080	5.4
147.11696	28.6
149.09604	12.5
149.13266	16.0
151.07658	4.9
151.11212	23.5
156.09273	4.2
157.10202	21.6
159.11732	21.3
161.09584	5.7
161.13297	30.5
162.45401	3.9
163.03929	86.3
163.07625	4.6
163.11234	20.2
165.12762	22.5
167.08516	4.2
171.11684	9.5
173.13350	5.7
175.11172	16.2
175.14832	8.0
177.12714	7.5
179.14334	27.3
185.13268	5.8
199.14842	12.6
203.14259	6.5
217.15807	6.6
221.15417	15.0
231.21121	6.1
241.19545	5.5
249.22169	7.0
259.20569	14.4
277.21686	90.3
295.04449	45.4
295.09781	5.4
295.13245	9.4
295.19577	8.8
295.22769	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.129
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
51.58764	0.7
53.03946	0.9
55.01857	2.7
55.05508	1.3
56.05028	4.1
57.03440	6.3
57.07066	0.8
59.04996	0.8
60.04527	0.9
61.02924	2.1
62.19509	0.8
65.03918	1.0
68.05035	0.9
69.03075	1.4
69.03429	17.5
69.07064	2.3
69.56161	5.4
70.06594	5.9
71.04984	1.7
72.08154	12.0
73.02908	4.7
75.64999	0.8
79.05062	1.2
79.05495	19.7
81.03423	4.9
81.07062	1.4
83.04989	1.5
83.06113	1.9
84.04506	77.0
84.08142	4.6
85.02904	21.5
86.09708	6.3
87.04481	5.9
88.03976	3.2
90.72018	0.8
91.05487	13.1
94.06567	3.6
95.04959	1.5
95.08593	1.3
97.02898	13.7
99.04446	3.5
101.07148	1.4
102.05521	3.8
103.03959	2.3
103.05461	3.2
104.03484	1.0
105.03385	1.3
105.07053	2.0
106.06542	5.2
107.04958	100.0
107.08598	1.0
108.08090	1.2
109.02881	3.7
109.06500	1.1
110.06079	1.1
110.07136	0.8
111.04472	0.8
114.10303	0.9
115.03939	8.0
115.05462	2.7
117.03380	1.0
117.07010	1.2
117.48222	0.8
118.06558	0.9
119.04947	10.2
120.04482	1.2
120.05252	0.9
120.08078	3.3
121.06521	2.4
123.04444	1.9
124.07618	1.5
127.03922	5.5
128.07091	1.3
129.06573	1.6
129.10240	2.6
129.31210	0.9
130.05009	34.2
131.04927	16.9
131.12932	2.3
132.04485	1.2
132.10213	0.9
133.02791	1.0
133.04988	9.1
135.04456	4.9
135.05263	0.9
136.07584	48.6
137.05965	2.8
138.09087	1.0
139.03902	1.7
140.07060	1.0
143.04918	1.7
145.02849	1.7
145.04945	7.0
145.06465	1.1
146.06007	7.6
146.35680	0.9
147.04395	7.5
147.07678	2.0
148.04836	1.7
148.07567	1.9
149.05983	38.9
150.07748	11.5
151.03957	3.8
156.02910	1.1
157.06447	0.9
159.04442	0.9
160.05231	2.0
161.05978	2.9
163.03915	14.9
163.07521	1.4
163.12364	0.9
164.11859	0.9
166.08647	27.6
173.39565	0.9
174.05504	2.5
175.03957	1.5
175.07533	3.2
177.05522	1.8
178.05910	1.9
179.03345	0.9
189.05420	2.5
191.08548	6.6
192.14961	1.5
193.04947	3.1
203.06981	1.1
205.04918	1.5
213.05511	1.1
219.08055	2.3
221.06026	1.9
231.06508	7.2
231.10063	1.0
232.09694	3.6
241.07014	1.3
249.11890	0.9
253.13354	8.7
259.05948	1.7
277.11807	2.3
277.14828	1.6
278.10223	8.9
278.14868	1.7
295.05264	1.1
295.08282	2.0
295.12912	11.4
295.17325	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2018
Annotation	Propoxycaine
Peak:m/z	Relative Intensity
53.03948	1.1
55.01862	1.2
55.05515	3.5
56.05020	0.6
57.03416	0.8
57.07070	0.8
59.04980	1.6
63.78078	0.5
65.03941	0.5
67.05512	5.2
68.92707	0.5
69.03421	2.6
69.07079	2.5
70.06597	31.8
70.11491	0.5
70.11826	1.9
71.04973	0.9
72.08160	48.3
77.03962	0.4
77.42960	0.4
79.05508	3.9
80.05011	1.3
81.03426	3.9
81.07061	8.5
82.02924	0.6
82.06564	0.6
83.04975	1.1
83.08620	1.1
84.04492	0.6
84.08138	1.2
85.02902	0.8
85.06547	1.4
86.09705	0.7
86.54311	0.6
88.03968	1.3
89.03923	1.1
91.05486	5.5
93.07050	4.1
94.06568	6.0
95.04967	1.6
95.08617	5.7
96.04506	5.9
97.02901	3.5
97.06517	1.6
97.10200	0.6
98.06058	1.3
98.09703	0.5
99.04475	0.6
99.08096	0.6
102.05524	1.4
103.05470	1.5
105.07045	6.3
106.06543	0.6
107.04945	2.5
107.08588	2.8
108.04493	5.0
108.08104	1.4
109.02871	1.1
109.06500	2.3
109.10152	3.1
110.02402	5.4
110.06042	7.4
111.04455	0.5
111.08061	0.7
115.05463	0.9
117.03382	1.6
117.07012	1.9
119.08591	3.5
120.08105	2.0
121.06511	3.3
121.10206	2.4
122.06036	46.8
122.09585	0.6
123.04427	0.7
123.06808	1.1
123.08059	1.3
123.11698	1.0
124.03955	0.6
124.07582	1.0
125.09614	1.2
128.06166	0.4
129.06996	0.6
131.04918	2.1
131.07338	0.8
131.08569	2.5
132.04419	0.7
132.08086	1.5
133.06470	3.0
133.10158	3.2
134.06018	1.3
134.08409	1.2
135.04436	3.0
135.06888	0.5
135.08052	2.4
135.10547	0.5
135.11682	1.8
136.07538	2.4
136.11243	0.8
137.05968	1.6
137.09607	0.8
137.13226	0.5
138.05550	0.7
138.09172	0.6
141.06932	0.6
143.08563	1.8
145.02846	1.4
145.06477	1.4
145.10147	2.1
146.06000	1.4
146.09669	3.5
147.04468	0.7
147.08081	1.0
147.11681	0.7
148.06116	1.0
148.07582	2.5
148.11172	0.7
149.08466	0.6
149.09634	1.6
149.13304	0.7
150.09157	3.3
151.03883	4.1
151.07536	0.7
151.08646	0.6
152.09431	0.5
157.06488	0.7
158.09622	0.7
159.08063	2.2
160.11227	4.1
161.06026	0.7
161.09607	2.1
161.10791	0.6
162.09166	1.6
162.12759	1.2
163.03915	9.8
163.07582	4.1
163.09926	1.0
163.11194	0.7
164.10733	1.5
171.08125	0.6
172.11188	1.1
174.05412	0.6
174.09175	1.1
175.07542	0.6
175.11194	0.6
176.10701	1.1
177.05489	0.9
177.09132	0.5
178.12291	6.0
180.13841	0.7
185.13263	0.5
187.07564	1.1
187.14760	0.5
188.10716	11.7
189.12799	0.5
190.12288	8.3
191.10635	1.2
200.10773	1.5
202.03264	0.6
206.11775	10.9
207.08121	1.0
208.13339	7.1
211.06007	0.7
218.11769	5.3
219.06480	0.5
221.05969	1.1
224.12808	3.9
224.16479	0.6
226.14377	2.8
232.17070	0.9
235.07521	1.3
236.12839	25.8
242.15384	0.6
248.16537	0.8
249.07539	0.8
250.18028	1.4
252.07625	0.5
259.18097	0.6
260.16412	4.5
263.06985	1.2
277.19125	11.9
277.21872	0.8
278.17526	100.0
279.17792	1.2
280.07098	0.6
286.13089	1.4
295.04233	3.2
295.09708	2.8
295.13208	2.2
295.20178	83.4
311.90207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0814
Annotation	Vittarilide B
Peak:m/z	Relative Intensity
55.01860	1.8
57.03441	3.1
64.45796	0.6
69.07048	0.9
71.28559	1.1
73.02915	4.1
75.04494	0.8
79.05479	1.2
84.04498	1.8
84.08099	0.8
85.02891	1.7
86.09722	6.3
89.03921	2.8
91.05483	1.6
93.00158	0.6
100.09634	0.6
101.02389	1.1
103.03946	9.8
103.05475	1.9
105.07037	0.8
107.04987	0.8
108.78833	0.6
111.45230	0.6
115.05474	2.6
117.03403	2.9
117.07026	0.9
119.04957	1.1
120.08139	3.5
123.04420	1.8
123.08221	0.6
129.07008	1.1
131.04912	3.1
135.04419	23.4
136.07646	0.5
137.02336	1.1
139.03975	0.6
141.06955	1.0
143.04964	2.9
145.02867	3.0
147.04404	10.7
148.03975	1.1
149.06018	1.6
150.07724	0.7
157.06512	1.3
161.06000	6.8
163.03915	100.0
164.04449	0.9
165.05490	2.0
165.89662	0.6
166.08684	1.2
171.04416	1.7
173.06004	1.6
175.03925	7.2
177.05475	4.2
179.03418	2.7
185.06021	2.7
187.03880	1.4
189.05463	7.5
191.03371	2.1
193.04976	42.6
201.05476	1.3
203.07037	1.7
205.05002	4.2
207.06491	0.6
213.05566	3.2
215.07036	1.3
217.04941	6.0
225.05136	0.6
231.06566	4.3
231.11241	0.7
235.06065	3.1
241.04900	0.9
249.07539	0.8
259.06110	3.8
277.07095	2.0
277.11917	0.8
295.08136	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67695	0.3
50.91202	0.2
53.03924	0.4
55.01861	0.9
55.05522	3.0
56.05845	0.6
57.07064	0.6
67.05176	0.3
67.05511	4.0
68.05838	1.0
69.03411	0.5
69.07072	2.4
70.06579	0.5
70.07394	0.6
71.04998	0.6
71.08282	0.3
71.08637	3.6
71.55690	0.3
72.08952	0.7
79.05499	4.0
80.05828	1.0
81.03405	1.0
81.07066	4.2
82.07374	1.1
83.04990	0.7
83.08617	1.2
84.08955	0.7
85.06540	0.5
91.05486	2.9
92.05817	1.0
93.07056	3.2
94.07383	0.7
95.04987	3.9
95.08608	2.4
96.05323	1.6
96.08895	0.7
97.06552	0.8
97.10181	0.6
99.08109	2.5
105.07047	1.8
106.07356	1.1
107.04950	1.9
107.08595	1.7
108.05250	0.9
108.05849	0.5
108.08932	0.8
109.05917	0.4
109.06513	1.1
109.10178	0.7
110.06876	0.9
110.10443	0.3
117.06949	0.6
118.07358	0.6
119.08606	1.4
120.08979	0.3
120.99038	0.3
121.06517	5.2
121.10107	0.7
122.06818	3.0
122.10528	0.5
123.08100	0.6
125.09640	0.4
131.08565	0.7
132.08913	0.5
133.10146	0.7
135.08058	0.9
135.11687	0.9
136.08415	0.4
136.12012	0.4
137.09689	0.4
145.10149	0.7
146.10471	0.5
147.11690	0.4
148.12059	0.4
149.09680	0.3
150.10062	0.4
151.11198	1.8
152.11546	1.2
161.13289	0.9
163.11194	0.8
164.11774	0.5
165.12564	1.1
166.13089	0.8
177.12784	1.9
178.13124	1.1
179.12952	0.3
179.14352	3.2
196.17056	1.5
224.13750	0.4
238.15269	1.0
258.19305	0.3
259.20630	0.8
263.59262	0.3
276.20505	2.5
277.21658	1.6
294.21481	100.0
295.21857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	Nobilonine
Peak:m/z	Relative Intensity
53.03937	1.3
55.01867	1.1
55.05509	5.0
56.05037	1.9
57.03410	0.4
65.03948	0.6
67.05170	0.6
67.05508	7.5
69.03414	1.0
69.07079	4.4
70.06600	15.2
71.04994	1.4
71.35166	0.8
71.35503	0.4
72.08150	1.6
79.05497	13.0
81.03410	0.6
81.07064	8.3
82.07394	0.6
83.04967	1.3
83.08636	2.0
84.04503	0.8
84.08141	0.8
85.06544	0.9
86.09681	0.6
89.03917	0.6
91.05487	13.0
93.07050	8.3
94.06578	0.9
94.07407	0.6
95.04964	1.5
95.08606	6.0
96.08121	3.4
97.02881	1.9
97.06551	1.0
97.10177	1.1
103.05467	1.4
103.41288	0.4
105.06391	0.8
105.07040	11.4
105.07759	0.6
106.06616	0.5
106.07328	0.5
107.04951	0.9
107.08595	6.3
108.08158	0.8
108.08867	0.5
109.02879	0.5
109.06503	1.3
109.08947	0.7
109.10178	2.6
110.10470	0.5
111.08086	0.7
114.05530	1.7
115.05445	0.9
116.07061	0.7
117.03386	0.7
117.07030	7.4
118.06445	0.4
119.04945	0.7
119.08585	9.6
120.08115	1.5
121.02854	0.8
121.06498	1.9
121.08478	0.5
121.10130	3.1
123.08058	0.6
123.11733	0.9
124.07597	1.0
125.09651	1.1
128.06233	0.8
129.07005	2.8
131.08574	7.3
132.08090	0.6
133.06488	1.3
133.08942	1.1
133.10138	3.6
134.09685	1.6
135.04385	1.0
135.08069	1.7
135.11691	1.4
136.07634	0.5
137.09584	0.6
141.07002	0.6
143.08543	2.4
145.02850	1.3
145.10149	3.1
146.09637	2.2
147.04436	1.0
147.08034	1.6
147.10504	0.7
147.11679	1.8
148.11185	1.1
149.02335	0.7
149.09615	1.8
149.13280	0.9
150.02734	0.5
155.08589	0.6
157.10158	1.3
159.08012	0.5
159.11702	1.0
161.09642	1.1
161.13280	0.4
163.03925	2.9
163.11191	0.4
165.06998	0.5
168.06573	0.5
169.10136	0.5
171.11676	0.6
175.11169	0.5
177.05553	1.0
179.14342	0.5
181.10190	0.9
189.70357	0.4
196.13385	1.7
213.16440	0.8
221.14305	0.4
229.15858	0.6
247.16940	7.4
248.20122	3.1
251.06993	0.7
253.13698	0.5
258.18579	2.0
259.16885	1.5
266.21161	1.4
276.19583	11.1
277.19907	1.7
294.08743	1.3
294.20645	100.0
295.04562	1.4
295.09729	0.6
295.20944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63585	1.4
51.22873	1.3
55.01863	4.8
55.05259	2.7
55.05515	31.1
56.65920	1.7
57.03431	3.5
57.07081	1.9
59.05004	100.0
67.05502	11.2
69.03424	3.3
69.07076	8.2
70.73246	1.9
70.73569	3.1
71.05015	10.6
79.05501	9.1
81.07059	15.0
82.07397	1.8
83.04974	2.9
83.08620	12.6
85.02917	6.7
87.03947	1.2
87.04470	30.3
89.06053	2.2
91.05489	2.3
93.07046	4.5
95.08605	5.9
96.08968	3.9
97.02934	2.4
97.06562	3.4
97.10179	18.7
99.04461	3.5
105.07027	1.9
107.08605	8.3
109.10168	7.2
110.10555	1.7
111.04467	1.8
119.08574	4.1
121.10194	3.2
124.14133	1.6
125.09627	12.4
131.08580	1.5
144.51155	1.5
149.13254	5.2
163.03899	4.5
163.11081	1.9
167.14391	1.8
173.11729	4.8
184.16914	1.6
266.21252	2.3
294.21133	2.9
294.24277	3.2
295.04330	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	294.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.01875	10.9
55.05516	85.2
56.05006	3.2
56.05838	3.2
57.03442	17.5
57.07073	6.3
59.04702	3.7
59.05005	75.7
67.05505	38.9
68.05844	4.6
69.03443	9.5
69.07072	30.1
70.06590	2.5
70.07417	3.6
71.01340	3.4
71.04995	35.1
72.08163	3.1
75.35401	1.8
79.05497	28.7
80.05824	2.6
81.03424	9.0
81.07059	50.7
82.07403	12.1
83.04989	13.2
83.08625	45.3
84.08163	2.9
84.08981	3.8
85.02905	20.9
85.06554	6.8
87.04470	100.0
89.06037	14.1
91.05492	13.6
92.05817	2.5
93.07040	17.9
94.07384	4.2
95.04980	6.2
95.08608	35.4
96.08364	1.8
96.08931	10.3
97.02897	8.7
97.06525	4.6
97.09541	3.7
97.10173	74.7
99.04458	28.8
99.08086	3.3
105.07035	9.4
107.04964	6.6
107.08602	27.7
107.39288	2.0
108.08952	4.6
109.06519	4.5
109.10167	22.5
110.10499	6.9
111.04436	8.4
111.11791	2.1
115.03951	2.5
117.03404	2.4
117.05517	6.4
117.07001	3.9
118.25742	1.7
119.08598	6.7
121.02872	2.7
121.10142	9.2
122.10482	4.0
123.08115	3.6
123.11744	7.3
124.12066	4.9
125.09639	53.0
125.63393	2.0
131.04958	2.2
131.08589	4.7
133.10118	2.1
135.04431	4.4
135.08046	2.8
135.11699	12.1
136.06152	2.5
136.12033	2.2
137.09608	4.3
137.13229	3.2
138.13602	4.2
143.10699	2.7
145.02878	3.0
145.10139	8.2
147.08055	3.2
147.11749	3.1
148.11879	2.2
149.02328	6.4
149.09650	2.2
149.13268	2.9
150.02702	6.6
150.13576	3.0
153.12766	7.8
162.09929	1.8
163.03940	11.1
163.11205	12.5
173.11772	7.1
174.01042	2.3
177.05472	2.9
180.05804	1.9
191.10703	2.8
214.29782	2.2
251.06956	2.7
258.19394	2.5
276.20425	6.4
276.27634	2.2
294.08334	2.2
294.21475	8.7
294.24460	8.2
294.28448	10.4
295.04602	3.9
295.09467	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	294.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	45.7
70.90964	1.4
71.95241	1.8
73.50120	0.5
84.08149	0.7
84.96025	0.7
91.05481	2.8
97.99187	0.6
98.97587	53.9
99.74850	0.5
116.00204	0.9
116.98627	25.3
119.04923	1.9
121.06503	1.0
123.46636	0.5
134.99663	8.3
135.06815	3.0
140.00212	0.7
143.59880	0.6
147.01099	0.9
150.07967	1.2
150.09143	20.5
151.00658	2.8
158.98375	2.3
163.00697	2.9
165.02251	8.7
165.99377	2.4
169.01707	3.1
176.99512	0.6
179.00148	2.1
181.01707	3.5
183.03308	19.4
184.00429	4.8
185.01196	0.8
187.02779	1.9
193.01685	1.5
195.03220	0.6
197.01245	1.2
199.02776	0.6
201.04346	13.4
202.01546	0.7
202.76245	0.5
204.03317	2.2
204.98099	3.0
205.01692	0.6
206.04884	4.3
207.01935	0.7
208.06427	4.5
211.02605	0.7
216.03210	3.2
219.05495	1.0
220.02896	1.1
222.04373	1.6
222.99234	4.4
224.05974	2.2
225.03065	0.9
226.07468	4.0
227.02211	1.3
232.02802	0.8
234.04381	21.8
235.02800	7.4
235.04927	0.8
238.03896	2.1
245.03305	0.9
248.05916	0.8
251.01015	1.5
252.05447	100.0
253.03772	5.1
253.06015	0.8
266.03384	2.6
266.06979	1.5
270.06503	62.2
271.06845	0.9
275.07083	1.7
276.05334	4.3
278.77740	0.6
284.04474	8.2
288.07614	1.7
293.08136	0.9
294.06485	46.0
312.07657	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	294.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
57.03436	0.4
60.75556	0.3
63.02400	0.8
67.05514	0.6
68.05073	0.3
69.03422	2.2
69.07078	0.5
69.36502	1.6
69.36904	1.0
70.06597	1.8
72.08170	1.7
78.03786	0.5
78.04710	0.4
79.05504	0.7
81.03427	0.8
81.07076	0.6
84.04509	0.5
84.08139	1.3
85.02901	1.7
86.09717	1.2
87.04468	2.4
88.04010	0.9
89.03919	7.4
91.05479	1.4
93.07055	0.8
94.06559	0.6
97.02877	1.6
97.06537	0.9
98.06054	0.3
99.04481	0.4
100.07633	3.3
102.03786	0.9
103.04016	0.7
103.05444	0.6
104.03469	0.4
106.04138	0.5
107.04960	1.1
107.08602	0.3
109.02883	1.1
109.10211	0.4
110.06062	0.8
110.07187	0.6
111.04337	0.3
115.03959	0.8
117.03391	27.8
117.10518	0.3
118.08669	7.9
118.09519	0.4
120.08106	1.1
122.05999	0.5
123.04462	0.4
124.07587	0.6
124.32288	0.3
126.05531	0.7
127.03959	0.4
127.05839	0.4
128.07040	0.3
130.05064	0.4
133.05025	0.6
134.03668	1.6
135.04451	2.1
136.07614	0.6
137.05997	0.5
140.07056	0.8
145.02859	61.3
146.03159	0.4
146.05977	1.5
147.04431	0.6
149.06004	8.8
149.07420	1.3
150.05511	0.5
150.07817	1.0
158.06006	0.5
162.09186	0.6
163.03903	1.4
174.05498	0.6
177.05484	100.0
178.05811	0.8
180.06502	0.3
181.06891	0.7
186.05516	1.2
222.08292	0.4
248.09256	0.5
248.12764	0.4
276.12384	1.0
277.12421	0.4
294.09171	0.3
294.13068	2.9
294.17282	0.8
294.20691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	7.4
55.01875	13.5
55.05259	2.6
55.05513	27.4
56.85984	1.3
57.03430	3.4
57.07073	1.7
65.03949	2.7
67.05506	47.5
69.03432	2.9
69.07074	21.1
70.95432	3.3
70.95778	1.8
71.04997	4.3
79.05493	42.9
81.03408	6.9
81.07063	69.3
83.04971	5.5
83.08624	14.3
85.06543	2.8
91.05475	28.8
93.07042	36.7
95.04970	15.8
95.08613	28.4
97.06539	17.0
97.10172	9.1
99.08126	2.4
105.04517	1.5
105.07038	35.8
106.18583	1.7
107.04982	9.0
107.08601	44.1
107.21966	1.5
108.09007	1.4
109.06539	16.6
109.09454	2.0
109.10152	16.2
111.08083	4.2
117.07013	9.9
117.23222	1.5
119.08590	22.7
121.06507	4.9
121.10163	16.6
123.08059	9.2
123.11694	5.8
125.09639	7.6
125.21337	1.4
125.33051	1.4
129.07010	2.8
131.08574	14.0
133.10143	22.9
135.08047	7.7
135.11705	9.1
137.09621	5.9
139.11191	3.3
143.08522	2.0
145.10136	14.1
147.08025	3.2
147.11690	15.4
149.09627	18.6
149.13271	4.4
151.11172	6.5
157.10182	1.9
159.11714	13.2
161.09628	2.6
161.13297	4.5
163.11166	11.1
165.09129	6.7
165.12717	3.4
169.10101	3.1
171.10228	1.6
171.11652	2.8
173.13286	7.0
175.11145	2.8
175.14883	2.0
177.12714	2.8
182.91348	1.7
183.11681	2.0
185.13193	1.5
187.11226	4.5
187.14691	1.9
189.11195	5.7
197.13162	2.4
201.12727	1.9
229.19423	3.3
233.15347	1.8
239.17957	6.3
247.20595	8.6
257.18988	14.4
275.20081	100.0
293.21118	34.0
293.28497	1.7
303.84583	1.7
306.57968	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03955	1.5
55.01891	0.9
55.05514	10.5
55.32457	0.5
57.07084	1.9
65.03935	2.2
67.05509	96.8
68.90614	0.6
69.03442	1.0
69.07072	10.7
71.00703	0.8
71.05004	1.0
71.08644	0.9
73.06555	0.8
78.72993	0.5
79.05098	0.4
79.05494	17.5
81.07063	100.0
82.07366	0.6
83.04983	1.8
83.08625	6.3
85.06538	2.3
91.05484	7.1
93.07051	15.2
95.04991	2.0
95.08614	82.2
97.06541	2.6
97.10204	2.4
99.08091	1.2
105.07032	6.1
107.08604	10.4
109.06556	1.1
109.10163	33.2
111.08063	1.4
111.11707	1.1
115.07574	1.0
117.07021	2.3
119.08584	5.3
121.06524	1.0
121.10149	9.0
123.08096	1.6
123.11717	17.8
125.09643	1.1
131.08583	7.6
133.10139	4.2
135.08057	1.3
135.11691	7.8
137.09598	1.9
137.13269	10.5
139.11220	1.0
141.09120	0.5
145.10138	5.0
147.11705	3.8
149.09648	3.1
149.13260	4.9
151.11186	1.6
151.14821	3.6
159.11742	4.1
161.13260	3.0
163.11209	2.7
163.14838	3.5
165.12744	1.6
165.16391	1.5
167.49509	0.5
171.11755	0.5
173.13251	6.5
175.14874	0.7
177.12733	3.5
177.16354	2.4
179.14294	1.7
187.14792	3.4
191.14311	2.1
201.16377	1.4
205.15863	0.9
209.15431	1.1
217.19583	0.6
219.17557	0.6
219.21135	1.0
223.16924	0.9
233.22673	0.5
237.11147	1.0
237.18446	1.5
243.21107	4.8
247.20259	0.5
251.20099	0.5
261.22113	5.7
275.19977	2.1
293.21164	2.4
293.24695	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03945	3.6
55.01876	30.5
55.05261	5.7
55.05511	61.3
57.03432	5.3
65.15704	3.1
67.05512	42.0
67.55048	2.8
69.03428	6.7
69.07066	20.0
69.46408	2.9
70.00205	9.8
70.00621	6.6
71.04990	3.1
79.05495	93.9
81.07053	31.0
83.04533	2.9
83.04967	15.3
83.08616	22.1
85.06562	3.8
86.43300	2.9
89.11349	2.9
91.05481	32.8
93.07043	42.0
95.04971	13.6
95.08608	18.4
97.06538	49.9
97.10166	37.7
98.20828	4.6
105.07037	33.7
106.70198	3.1
107.04961	44.7
107.08596	66.0
109.06539	5.7
109.10155	21.4
111.08092	5.8
117.06998	17.0
118.12729	2.9
119.08591	22.4
121.10168	22.8
123.08068	5.8
123.11686	9.0
125.09653	31.9
128.34151	3.2
131.08575	12.1
133.10162	27.3
135.08034	8.3
135.11687	5.8
139.07532	3.6
145.10121	9.6
147.11647	15.5
149.09630	97.9
153.09129	7.7
157.10153	4.0
159.11734	9.0
161.13251	8.7
169.12299	9.2
170.53690	3.0
171.10185	4.6
171.11650	3.3
173.11754	7.4
173.13200	6.0
189.11226	25.7
196.96974	3.2
211.14760	3.0
215.21240	3.0
229.19519	11.6
239.17868	3.7
247.20660	7.6
257.18933	20.5
275.20065	100.0
287.81100	2.9
293.21130	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03953	31.1
55.01878	26.3
55.05507	22.1
65.03992	6.1
66.25999	5.0
67.05505	70.7
69.07069	44.7
69.29926	5.3
69.89945	26.4
71.05016	7.3
75.38298	5.5
79.05510	47.9
81.03419	58.1
81.07058	93.8
81.65456	4.8
81.68819	5.5
83.04971	9.0
83.08621	6.7
91.05488	69.6
93.07048	47.3
95.01334	10.4
95.04965	20.0
95.08604	55.3
97.06533	42.1
97.10155	5.9
105.07031	100.0
107.04960	23.9
107.08583	23.5
109.06525	11.0
111.08113	6.5
113.05937	5.6
117.07045	18.7
119.08570	46.2
121.06512	7.7
121.10139	8.9
123.08066	16.1
131.08594	22.7
133.10130	59.4
135.11713	8.7
145.06470	8.7
145.10156	22.7
147.11693	22.7
149.09637	6.8
159.11726	21.4
163.11238	6.4
169.10202	7.2
177.12708	9.0
179.14323	18.2
187.11224	12.2
236.53487	5.3
250.25635	5.2
257.19003	7.6
275.20087	79.9
293.21228	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03938	8.2
55.01877	13.8
55.05517	18.7
55.08124	2.3
57.03434	6.4
65.03909	2.9
65.84528	2.6
67.02489	2.5
67.05512	44.3
69.06786	2.0
69.07071	22.6
71.00456	6.6
71.04983	2.9
71.08598	2.3
71.14127	2.4
79.05499	42.0
81.03410	9.3
81.07063	100.0
83.04979	7.8
83.08614	14.0
85.06540	3.5
88.92486	2.6
91.05477	29.4
93.07048	34.8
95.04977	21.6
95.08619	24.7
97.06535	10.2
97.10165	4.4
99.08092	3.2
105.07037	29.0
107.04961	12.1
107.08598	17.2
109.06519	37.9
109.10159	9.1
111.08105	3.0
112.49760	2.5
117.07036	6.0
119.08585	23.0
121.06508	5.0
121.10132	14.1
123.08064	12.4
123.11684	3.7
125.09660	5.3
131.08591	16.8
133.10149	20.9
135.08015	3.6
135.11652	5.7
137.09659	3.8
145.10152	14.2
147.08052	2.7
147.11716	20.4
149.09610	14.9
149.13269	8.8
151.11208	6.8
159.11674	11.2
161.13229	3.7
163.11177	11.1
165.09081	2.9
165.12735	5.7
171.11690	3.3
172.50763	2.5
173.13344	4.8
175.11128	3.8
177.12851	3.8
187.11197	4.9
191.10606	2.6
197.13286	2.8
229.19493	4.2
239.17871	4.0
247.20493	8.1
257.18903	7.2
275.20056	74.2
293.21063	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03944	2.0
54.60737	1.2
55.01859	4.1
55.05512	11.7
57.03415	1.6
57.07061	1.5
67.05177	2.1
67.05505	27.4
69.03413	2.1
69.07067	20.4
69.82618	6.0
70.37434	1.0
71.04987	2.1
71.87191	1.1
79.05498	15.2
81.03394	1.4
81.07066	29.4
83.05003	5.4
83.08611	4.1
83.82877	1.1
85.06558	1.6
91.05476	16.5
93.07054	22.8
95.04978	8.2
95.08605	16.8
97.06518	3.0
97.10146	2.4
105.07030	22.6
107.04984	6.6
107.08593	11.8
109.06512	8.7
109.10161	8.6
111.08073	2.5
117.07034	5.2
119.08574	11.3
121.06506	8.7
121.10137	8.1
123.08064	4.5
123.11727	2.2
125.09613	1.6
129.07002	1.2
131.08578	12.5
133.06467	3.0
133.10135	17.8
135.08025	3.9
135.11688	4.4
137.13234	1.3
143.08545	1.7
145.10143	10.8
147.08032	2.7
147.11708	11.1
149.09598	4.6
149.13235	1.6
151.11165	5.5
155.08620	1.2
157.10117	2.4
159.08064	2.1
159.11703	6.0
161.09628	3.2
161.13313	2.8
163.11166	4.9
171.11711	1.5
173.09633	2.2
173.13326	5.2
175.11226	2.4
177.12767	2.4
179.10490	1.2
180.21182	1.0
183.11754	2.3
187.11198	2.0
191.14255	1.7
199.14665	1.3
201.12727	3.1
205.19472	1.3
207.13824	4.1
215.17920	1.4
219.13806	5.7
229.19540	4.5
239.17908	4.7
247.20599	3.3
257.19028	14.4
275.20068	100.0
276.20502	1.5
293.21100	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	5.2
55.01865	9.4
55.05513	31.4
57.03445	21.6
57.07074	6.8
65.03931	4.2
67.05173	4.6
67.05511	57.5
69.03419	3.3
69.07075	25.1
70.73714	5.4
70.74062	3.4
71.04989	5.9
77.03908	2.8
79.05494	54.5
81.03425	9.3
81.07063	86.5
83.04985	12.7
83.08617	14.5
85.06548	6.5
91.05491	44.5
93.07043	45.8
95.04980	18.3
95.08615	36.2
97.06554	8.3
97.10179	6.2
99.04446	4.8
99.08150	4.8
99.27024	3.2
105.07046	39.1
107.04954	7.6
107.08594	34.1
109.06519	27.7
109.10171	25.6
111.04443	18.8
111.08076	5.7
117.07050	10.9
119.08582	33.6
121.06548	8.3
121.10165	18.2
123.08056	14.8
123.11687	7.3
125.09678	7.0
129.06989	6.2
131.08553	23.7
133.10144	22.3
135.08072	6.2
135.11711	14.8
137.09633	21.2
145.10149	14.8
147.11731	15.7
149.09610	17.8
149.13286	4.4
151.11205	8.3
153.12817	5.0
157.10155	4.2
159.11688	10.2
161.13234	6.8
163.11179	10.1
165.09166	4.1
169.10159	3.5
172.42313	2.8
173.13280	8.9
175.11230	5.7
175.14944	3.9
176.46271	2.6
177.12877	3.1
181.10332	3.4
181.12134	2.5
201.16342	4.5
203.14278	5.3
215.17741	3.0
219.17455	100.0
229.19511	5.6
239.18013	3.2
247.20560	11.9
257.19080	8.9
265.21588	7.8
275.20099	70.7
293.21112	81.6
294.21240	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.92152	1.4
53.03944	5.0
55.01873	7.7
55.05513	22.8
57.03439	2.9
57.07071	1.7
60.39930	1.4
65.03945	2.2
67.05170	2.5
67.05511	41.7
69.03420	3.3
69.06726	1.9
69.07075	23.0
69.90704	7.9
69.91074	1.4
71.04987	4.7
79.05499	41.2
80.36153	1.5
81.03439	7.4
81.07064	100.0
83.04992	7.3
83.08623	13.2
85.06537	2.7
91.04958	2.9
91.05487	27.8
93.07053	30.4
95.04973	19.9
95.08616	26.9
97.06560	7.0
97.10171	4.8
105.07037	34.3
107.04974	8.0
107.08599	23.5
109.06530	30.5
109.10160	12.9
111.08092	5.5
115.23965	1.6
117.07021	9.9
119.08586	34.1
121.06495	4.8
121.10146	14.4
123.08085	12.8
123.11726	8.8
125.09636	3.5
129.06978	4.3
131.08568	13.8
133.06464	1.8
133.10136	21.7
135.08092	5.8
135.11691	7.1
137.09608	6.7
143.08562	2.4
145.10110	10.3
147.11716	18.5
149.09631	10.8
149.13266	4.1
151.11205	6.5
157.10158	3.8
159.11694	9.2
161.13266	4.1
163.11218	9.3
165.09102	1.6
165.12727	3.8
169.10216	2.1
171.11670	2.6
173.09621	2.2
173.13272	5.5
175.11250	4.7
175.14841	1.9
177.12762	2.7
183.11652	2.4
189.11237	1.8
219.13809	2.0
223.13458	1.9
229.19441	4.7
237.14874	3.0
239.17966	4.0
247.20628	5.6
257.19016	6.5
275.20068	63.3
293.17868	1.8
293.21124	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03927	6.4
55.01868	11.6
55.05513	24.7
57.03435	3.3
57.07079	2.7
67.05504	53.3
69.06761	2.2
69.07066	22.9
70.81048	3.2
70.81380	4.5
71.04982	2.8
72.79093	2.2
79.05498	39.5
81.03402	4.7
81.07057	100.0
81.56210	1.9
83.04974	7.3
83.08612	11.8
85.06539	5.3
91.05483	31.9
93.07049	30.8
94.14563	2.0
95.04977	19.6
95.08611	33.0
97.06520	10.2
98.20814	2.9
99.08063	4.2
105.07039	38.3
107.04924	7.1
107.08606	26.3
109.06517	22.8
109.10147	18.9
111.08047	4.7
117.06989	9.7
119.08582	37.1
121.06528	5.2
121.10130	11.3
123.08064	8.8
123.11678	5.4
123.71496	2.2
125.09606	3.3
131.08516	11.8
133.10135	27.2
135.08043	6.6
135.11687	6.9
137.09627	12.4
143.08546	3.2
145.10117	9.9
147.11699	17.5
149.09605	10.1
149.13252	2.6
151.11183	7.4
157.10115	3.6
159.11687	6.4
161.13269	4.3
163.11171	8.1
165.12787	3.0
171.11662	4.2
173.09637	2.7
173.13264	5.1
175.11151	2.8
187.14819	2.9
193.12363	2.5
201.12390	2.4
229.19554	3.0
239.17943	3.6
247.20583	8.0
257.18918	7.6
275.20059	62.1
293.21109	45.6
311.98889	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	293.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.9
55.01865	8.7
55.05270	2.7
55.05514	43.3
57.03421	3.7
57.07056	3.2
65.03927	3.2
67.05507	67.6
67.97205	2.8
68.05232	2.3
69.03419	5.3
69.07067	30.2
69.57133	18.1
71.04996	7.0
79.05068	4.0
79.05493	56.7
81.03416	9.7
81.07064	67.8
83.04987	8.6
83.08624	24.3
85.06539	4.8
91.05486	43.6
93.07043	39.5
95.04974	24.9
95.08615	33.1
97.06512	12.4
97.10173	18.1
105.07040	39.9
107.04937	9.8
107.08597	67.5
109.06514	10.5
109.10147	24.2
111.08067	6.0
117.07025	12.8
119.08581	36.4
121.06495	4.9
121.10141	21.9
123.08067	12.4
123.11689	5.6
125.09647	18.3
131.08583	19.0
133.10136	29.3
135.08066	4.9
135.11696	11.0
137.09613	18.7
139.11177	8.3
145.10129	17.2
147.11682	17.5
149.09604	18.8
149.13239	3.8
151.11179	6.6
153.09154	2.5
157.10153	4.4
159.11708	9.8
161.09602	2.4
161.13303	4.2
163.11157	11.5
165.12744	2.5
169.10106	3.1
173.13248	5.7
177.12740	4.9
187.11203	4.6
189.11209	16.4
197.13274	2.7
212.47380	2.6
223.13232	4.5
229.19524	4.9
239.18010	6.8
247.20662	8.1
257.19019	9.7
271.25427	2.6
275.20062	100.0
293.21097	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03959	3.4
55.01876	17.8
55.05516	36.3
57.03430	3.1
57.07064	2.8
67.05508	38.8
69.07068	19.0
69.23915	25.1
79.05499	50.1
81.03403	8.5
81.07052	46.4
83.04983	7.1
83.08635	15.4
83.53214	2.4
85.06504	2.4
91.05478	39.0
93.07043	40.4
95.04968	9.4
95.08602	23.6
97.06531	21.5
97.10178	21.5
105.07043	38.9
107.04963	13.1
107.08597	87.2
109.06512	9.0
109.10161	12.1
111.08121	2.8
113.33463	2.7
117.07024	9.4
119.08603	25.1
121.06488	5.5
121.10152	14.6
123.08067	7.0
123.11728	3.5
125.09604	17.9
131.08557	13.8
133.06427	2.8
133.10130	24.0
135.08047	7.6
135.11705	10.0
137.05962	9.5
137.09586	3.8
143.08490	4.3
145.10106	14.2
147.11684	13.9
149.09622	21.9
151.11171	7.3
157.60201	2.3
159.11679	12.6
161.13193	3.2
163.11177	9.5
165.09128	9.3
171.10162	3.9
171.11594	4.7
173.13275	10.3
177.12785	4.2
183.11723	4.5
187.11186	5.6
189.11127	13.1
197.13333	3.6
229.19511	4.3
239.18022	6.6
247.20566	5.3
257.18954	9.1
275.20068	100.0
293.21069	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03943	3.7
55.01862	7.9
55.05512	18.3
57.03439	20.7
60.05575	2.2
61.50800	2.4
67.05508	31.2
69.03431	2.7
69.07068	16.2
71.44938	2.6
71.45296	2.7
79.05501	44.6
81.07065	34.5
83.04967	4.5
83.08613	10.5
85.06522	4.6
91.04967	3.9
91.05492	45.6
93.07047	51.0
95.04972	8.1
95.08618	27.9
97.06519	11.5
97.10151	7.4
105.07037	38.4
107.04915	3.5
107.08596	40.1
109.06528	11.1
109.10152	7.5
111.08048	3.1
117.07025	10.0
119.08588	30.5
121.06470	7.3
121.10165	15.1
123.08051	4.5
123.11707	2.4
125.09610	5.9
129.06984	5.3
131.08569	16.9
133.10132	23.1
135.08060	4.3
135.11655	9.2
137.09663	3.6
143.08559	6.9
145.10117	20.0
147.07980	2.7
147.11719	15.2
149.09654	12.2
151.11191	4.5
157.10120	4.0
159.11707	19.0
161.13321	6.8
163.11168	4.5
173.13234	5.6
175.11179	3.4
183.11708	4.5
185.13254	15.0
189.11234	3.3
201.16350	6.6
203.14388	15.2
219.17477	52.2
221.15395	20.1
229.19479	4.6
233.11905	2.6
239.18007	8.8
247.20534	4.1
257.19009	17.5
275.20078	100.0
292.36951	3.0
293.21143	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03945	7.0
55.01872	17.9
55.05513	31.7
57.03439	3.8
57.07075	9.2
65.03953	1.9
67.05504	37.9
69.03418	2.4
69.07063	21.6
69.91221	9.9
71.04985	2.6
78.62691	1.7
79.05497	43.3
81.03425	9.7
81.07058	36.5
83.04973	7.2
83.08614	21.5
85.06536	3.5
87.54948	1.6
88.00304	2.0
90.83598	1.8
91.05476	27.4
93.07040	32.6
93.48131	1.8
95.04971	27.7
95.08603	25.8
95.91631	1.9
97.06532	19.3
97.10161	16.4
105.07036	33.4
107.04948	11.2
107.08595	69.2
109.06512	8.5
109.10155	14.4
111.04430	3.9
111.08059	3.5
115.05497	1.8
117.07001	11.2
119.08580	22.8
121.06590	3.5
121.10130	15.3
123.08091	6.0
123.11688	4.5
125.09628	17.7
131.08545	13.6
133.10135	21.2
135.08064	7.3
135.11665	8.5
137.09615	4.4
143.08606	3.2
145.10138	15.7
147.11649	14.5
148.10626	1.7
149.09612	32.5
151.11183	8.5
153.05511	3.5
157.10103	3.6
159.11682	9.1
161.09634	2.9
161.13263	6.0
163.11206	14.3
165.09140	6.7
169.10080	2.1
171.10277	2.0
171.11674	1.9
173.13293	5.1
175.11095	2.5
177.09143	1.7
177.12755	3.2
181.04938	5.7
181.12199	3.2
183.11671	2.5
187.11183	2.8
189.11182	8.0
191.10750	5.2
195.10141	2.5
205.12350	1.9
209.11833	9.2
215.17841	2.0
219.17378	4.5
221.07986	1.7
221.15407	3.2
223.13322	7.4
229.19505	4.6
237.11263	16.7
239.17953	4.3
247.20607	5.4
257.19037	11.0
275.20059	100.0
293.21072	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	3.2
55.01875	4.5
55.05512	13.2
57.03428	3.5
57.07073	1.7
64.37607	0.9
65.03941	2.5
67.05186	2.3
67.05511	30.3
69.03417	1.7
69.06736	1.4
69.07076	22.4
69.72369	1.1
69.88597	1.0
70.00866	3.4
71.04984	4.1
79.05058	1.8
79.05500	22.6
81.03409	3.2
81.07059	34.6
83.04989	9.3
83.08643	5.1
85.02889	3.9
85.06544	2.1
88.10904	1.0
91.05489	23.7
93.07051	25.7
94.07378	1.0
95.04966	10.3
95.08614	18.0
97.06549	5.6
97.10171	3.1
98.20802	1.3
105.07040	27.9
107.04953	7.6
107.08604	18.7
109.06520	11.3
109.10151	9.8
110.40962	1.3
111.08115	1.5
117.07052	5.9
119.08580	13.2
121.06522	9.9
121.10153	8.9
123.08062	6.2
123.11672	3.2
125.09648	1.9
129.06995	1.5
131.08583	15.0
133.06496	2.6
133.10150	16.9
135.08044	5.0
135.11707	7.5
137.09604	3.3
139.07582	1.2
141.06985	1.7
143.08572	3.0
145.06435	2.0
145.10139	8.7
147.08078	2.8
147.11710	14.8
149.02336	1.7
149.09650	6.6
149.13268	2.1
151.11180	7.2
155.08557	1.8
157.10158	3.5
159.08118	1.4
159.11688	6.4
161.09599	4.3
161.13286	3.7
163.11208	4.1
165.09166	2.0
165.12737	1.8
169.10092	2.6
171.11768	2.0
173.09714	2.3
173.13295	2.8
175.11172	2.1
177.12782	2.9
181.81850	1.1
183.11731	2.5
185.13258	1.4
187.11124	2.0
187.14778	1.5
191.14331	3.0
191.68330	1.0
197.13354	1.8
201.12798	3.2
207.13762	2.8
215.14304	1.3
215.17964	2.1
219.13736	5.0
229.19540	3.1
229.51942	1.3
239.18016	4.4
247.20659	3.5
257.19003	17.0
275.20081	100.0
293.21130	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.13403	1.3
53.03949	2.9
55.01866	5.5
55.05268	1.7
55.05517	32.7
57.03426	2.3
59.04992	1.5
65.03921	2.3
67.05508	23.8
69.03421	3.1
69.07077	10.4
69.40079	2.5
69.40487	7.8
71.04984	1.6
79.05500	44.7
81.03416	2.5
81.07061	19.5
83.04982	3.8
83.08625	13.0
84.53344	1.1
87.91563	1.1
91.05489	32.0
93.07043	22.6
95.04967	5.7
95.08611	13.0
95.94560	1.5
97.06537	5.9
97.10181	19.7
105.06400	2.2
105.07050	31.5
105.07750	1.2
107.04972	7.7
107.08604	100.0
109.06516	3.9
109.10149	5.7
114.45906	1.4
117.07030	5.6
119.08594	15.0
121.10137	9.1
123.08127	1.7
123.11764	1.8
125.09631	21.4
129.06996	1.5
130.79295	1.3
131.08572	9.6
133.10152	15.5
135.08063	5.1
135.11743	3.0
137.09647	1.6
143.08566	2.1
145.10136	9.6
147.11668	10.5
149.09642	13.6
151.11139	2.7
153.09094	1.6
157.10141	2.3
159.11719	5.4
161.13222	2.7
163.11174	4.0
169.10185	1.5
171.11674	2.3
173.13243	3.2
175.11322	1.5
179.73712	1.7
181.12233	2.1
183.11589	2.1
187.13292	1.7
189.11238	14.5
197.13280	2.6
229.19594	1.9
239.17982	4.4
247.20531	2.3
257.19000	8.6
275.20090	72.3
293.21072	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	7.1
53.06142	1.9
55.01866	10.0
55.05509	22.6
55.82353	2.2
57.03422	8.9
57.07069	2.4
64.84176	2.5
65.03925	2.9
67.05506	44.4
69.03420	2.7
69.07069	19.3
70.73351	4.0
70.73677	2.6
71.04971	4.3
79.05497	44.8
81.03408	7.8
81.07059	81.8
83.04977	5.5
83.08617	12.4
85.06531	5.5
91.05492	40.7
93.07047	40.3
95.04974	14.0
95.08619	33.2
97.06521	11.8
97.10180	3.0
99.08112	3.1
105.07033	37.3
107.04956	9.8
107.08601	27.9
109.06525	25.2
109.10159	11.6
111.08092	5.5
113.96024	2.1
117.07014	9.8
119.08599	26.6
121.06486	6.1
121.10151	18.7
122.66884	2.2
123.08067	10.4
123.11687	3.9
125.09586	4.6
129.07011	6.5
131.08586	17.4
133.10149	26.1
135.08020	5.4
135.11688	9.3
137.09602	8.3
137.13220	2.0
139.11028	2.3
143.08560	3.1
145.10114	18.6
147.08046	2.6
147.11707	22.3
149.02341	4.3
149.09598	13.8
149.13345	5.2
151.11133	6.1
157.10110	4.0
159.11710	10.8
159.45644	2.4
161.13232	6.4
163.11195	10.5
165.09120	2.3
165.12737	3.7
169.10072	3.4
171.11755	3.4
173.09625	3.6
173.13271	6.5
175.11124	5.4
175.14713	2.7
177.12862	2.5
185.13245	4.5
187.14737	4.2
193.12190	3.0
203.14375	3.1
205.15833	3.0
215.14235	3.2
219.17444	19.0
221.15387	4.6
229.19479	4.4
233.19023	3.5
239.17841	6.9
247.20569	6.8
257.18961	14.3
269.10974	2.0
275.20074	100.0
293.17868	4.0
293.21136	35.4
297.56030	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	5.9
55.01877	9.6
55.05516	28.9
55.51477	1.7
57.03428	4.5
57.07066	2.9
65.03943	2.8
67.05509	48.0
69.03414	5.0
69.07071	22.6
71.04987	4.8
71.32013	3.3
79.05066	2.8
79.05499	44.5
81.03428	6.9
81.07063	100.0
83.04980	9.4
83.08196	2.2
83.08629	19.2
85.06548	4.4
91.04966	2.7
91.05489	32.2
93.07056	32.9
95.04977	18.0
95.08615	34.1
97.06534	8.7
97.10167	14.0
99.04379	2.2
99.08106	2.3
103.05459	1.8
105.06389	2.7
105.07042	34.5
107.04960	8.1
107.08595	26.9
109.06517	33.4
109.10182	16.8
111.08089	5.6
117.07048	10.3
119.08588	25.7
121.06497	6.9
121.10143	17.2
123.08092	10.6
123.11703	3.5
125.09644	12.2
129.07021	4.9
131.08572	16.3
133.10147	23.1
135.08052	4.4
135.11688	7.6
137.09631	6.9
143.08556	2.3
145.10159	15.4
147.08081	3.0
147.11711	15.9
149.02382	4.2
149.09613	14.6
149.13293	3.4
151.11211	5.0
157.10130	3.5
159.11742	8.5
161.13229	3.7
163.11159	11.6
165.09059	2.6
165.12708	3.1
169.10193	3.4
171.11687	4.2
173.13264	6.8
175.11104	4.2
177.12752	4.4
183.11705	2.7
187.14859	3.1
189.11206	8.9
189.12720	2.2
193.12259	2.5
197.13306	2.7
201.12764	3.4
203.07188	1.9
215.17836	2.8
229.19548	3.2
239.17831	3.7
247.20586	7.0
257.19104	9.9
275.20084	92.4
293.21097	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.16595	0.2
52.74289	0.2
55.01872	1.0
55.05515	3.6
57.07067	0.7
65.03951	0.4
67.05511	3.7
67.61849	0.2
69.03435	0.4
69.07076	2.1
69.24928	2.0
69.25355	0.3
71.04980	0.5
71.08637	1.7
71.36613	0.2
79.05496	3.2
81.03406	0.9
81.07062	4.9
83.04967	0.9
83.08611	1.6
85.06518	0.5
87.08086	0.2
91.05483	1.9
93.07057	2.8
95.04979	4.3
95.08621	2.4
97.06506	0.8
97.10162	1.0
98.21543	0.5
99.08104	1.1
105.07041	1.8
107.04961	3.3
107.08599	1.7
108.05772	1.6
109.06529	2.6
109.10151	0.7
111.04455	0.3
117.07007	0.5
119.08587	1.1
121.06511	8.9
121.10155	1.1
122.07300	0.4
123.08080	0.8
123.11679	0.4
125.09629	0.5
129.06985	0.3
131.08577	1.1
132.92154	0.2
133.10115	0.8
135.08041	1.4
135.11688	0.2
137.09607	0.3
145.10135	0.8
147.07959	0.3
147.11684	0.4
149.09612	0.7
149.13266	0.2
151.11186	1.5
153.09108	0.2
159.11717	0.4
163.11188	0.7
164.11967	1.5
165.12819	1.5
173.09630	0.3
173.13301	0.3
175.35905	0.2
177.12796	1.3
178.13474	0.2
187.11230	0.3
191.14320	0.3
201.12439	0.2
205.27377	0.2
209.11717	0.5
221.08157	0.3
223.13177	0.4
236.81357	0.2
237.11218	0.7
237.14777	1.1
247.20622	0.3
249.14827	0.2
261.18509	0.5
275.20145	2.2
293.21121	100.0
294.21555	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05515	23.6
55.30568	0.3
65.03938	1.2
67.05512	0.7
70.04984	1.2
73.06560	9.3
79.05478	0.3
81.07058	0.8
90.33021	0.3
91.05464	1.6
93.03427	0.8
93.07037	0.6
95.08616	0.9
97.06563	0.4
98.21514	0.5
100.61748	0.3
107.08594	0.4
108.86523	0.4
109.10175	0.9
110.38174	0.3
117.06984	0.5
120.08107	1.1
121.02875	5.2
121.03996	0.7
121.10058	0.3
129.07004	2.9
131.08571	2.9
135.11745	0.5
143.04939	1.6
145.06465	0.4
149.02350	100.0
150.02687	1.2
157.06522	0.8
161.05966	5.3
167.03435	1.0
175.07561	18.8
185.05978	1.2
203.07043	23.2
206.94601	0.3
221.08102	0.7
275.12766	3.3
293.13907	2.9
293.24713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	4.5
54.63069	1.1
55.01876	12.2
55.05267	1.9
55.05514	25.4
57.03429	3.3
57.07058	4.6
65.03934	2.3
67.05510	53.9
67.05875	2.7
68.05877	1.2
69.03428	3.6
69.07071	26.9
70.18159	2.2
70.18552	2.2
71.04975	4.2
71.08657	1.1
73.06544	1.3
79.05500	46.6
81.03434	6.9
81.07063	78.1
83.04980	7.6
83.08153	1.2
83.08624	18.6
85.02942	1.0
85.06558	5.1
91.05486	30.0
93.06474	1.9
93.07053	38.8
95.04974	16.6
95.08614	40.0
97.06537	10.3
97.10162	12.7
99.08109	2.3
101.06021	1.2
103.05566	1.1
105.04510	1.4
105.07034	38.1
107.04965	10.3
107.08601	36.0
109.06522	19.3
109.10162	27.6
111.08088	5.1
117.07027	11.3
119.08591	22.4
121.06509	6.0
121.10149	19.6
123.08073	8.6
123.11713	9.8
125.09638	8.8
129.07005	3.3
130.07829	1.2
131.08572	15.4
133.06493	3.1
133.10135	22.9
135.08061	6.7
135.11703	11.1
137.09624	7.5
137.13248	3.1
139.11177	2.0
141.06929	1.8
143.08562	1.8
145.06512	2.2
145.10138	16.2
147.08081	2.1
147.11702	18.5
149.02348	3.1
149.09627	18.1
149.13261	7.8
151.11183	9.9
153.09084	1.3
153.12724	1.9
155.08568	2.9
157.10121	3.6
159.11728	11.6
161.09601	2.7
161.13275	5.4
163.11211	12.5
163.14790	3.4
165.09123	7.9
165.12790	3.2
167.14348	1.1
169.10106	2.8
171.11711	2.9
173.09712	1.1
173.13275	6.7
175.11197	3.2
175.14900	1.7
177.12817	6.5
179.14317	1.5
183.11716	3.4
185.13197	1.6
187.11220	3.2
187.14848	2.0
189.11226	3.8
189.12737	2.4
191.10637	1.2
193.12306	2.5
197.13319	2.3
199.14906	1.6
201.12788	1.3
205.12244	1.4
213.16454	1.3
215.17996	2.2
219.17403	1.4
223.13216	2.7
229.19551	6.2
231.17445	1.5
233.19211	1.5
239.17963	6.7
247.20560	7.6
257.19046	13.6
258.56274	1.1
265.21667	1.7
275.20081	100.0
276.20367	1.5
293.11575	1.4
293.17776	1.9
293.21118	34.1
293.28287	6.9
305.00940	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1383
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03939	0.7
55.05514	24.9
65.03941	1.8
67.05502	0.8
69.07064	0.7
69.48454	1.4
69.48861	0.4
73.06558	9.7
79.05497	0.5
79.24071	0.2
81.03391	0.2
81.07059	1.3
86.09701	0.2
91.05489	2.7
93.03419	0.7
93.07040	0.4
95.08637	1.3
97.02838	0.2
98.03674	0.2
98.21518	0.4
103.05457	0.2
105.07005	0.5
107.08587	0.8
109.06570	0.3
109.10156	1.3
111.04426	0.4
116.06255	0.3
117.07021	0.4
119.08619	0.4
121.01999	0.3
121.02878	6.0
121.03967	0.8
121.10139	0.4
123.11755	0.3
128.06212	0.4
129.07010	2.7
131.04968	0.8
131.08554	2.1
143.04924	1.9
145.06520	0.3
145.10196	0.2
147.08060	0.6
149.02350	100.0
149.13252	0.3
150.02739	1.0
157.06502	0.9
161.05995	4.7
167.03423	0.9
175.07558	18.5
176.07932	0.2
185.05905	1.1
193.15939	0.3
203.07040	24.1
221.08107	0.7
233.09663	0.4
261.09225	0.3
275.12808	4.0
293.08179	0.3
293.13950	2.6
293.19220	0.6
305.12106	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	293.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
54.56548	2.2
55.01867	4.4
55.05517	37.5
56.11784	2.0
57.03444	14.7
57.07075	5.3
59.04998	2.9
65.03929	2.7
67.05508	30.2
69.03442	15.4
69.07070	25.0
70.06609	5.1
70.84109	2.5
71.01344	3.5
71.04997	34.9
72.08155	5.9
73.02913	5.8
73.06562	4.6
75.04481	9.6
79.05505	16.4
79.12249	2.2
81.03416	7.3
81.07062	45.4
83.04984	29.1
83.08617	8.7
85.02914	100.0
85.06542	17.0
87.04440	3.5
91.05486	16.2
93.07042	22.6
95.04993	13.2
95.08051	4.5
95.08611	40.2
97.02905	5.8
97.06525	7.8
97.10176	4.5
99.04456	6.2
99.08110	12.7
101.06006	3.5
103.05460	4.9
105.07038	21.1
107.04956	3.4
107.08601	25.9
109.02876	8.0
109.06537	8.2
109.10179	29.2
111.04449	21.6
111.08069	5.2
113.06020	2.1
117.07027	6.1
119.08605	14.5
121.02892	3.3
121.06490	5.8
121.10146	20.5
123.04442	2.9
123.08076	5.4
123.11671	11.5
125.09626	8.0
127.03899	3.9
127.08754	2.0
129.05499	22.3
129.06996	3.8
131.04909	6.1
131.07710	2.2
131.08577	13.1
131.09395	2.0
133.10124	10.6
135.08139	3.0
135.11697	6.3
136.06198	5.2
137.05988	4.4
137.09650	7.6
137.13254	7.1
138.17993	2.4
139.11200	4.0
142.07808	6.0
143.08585	4.2
145.10146	9.3
147.04448	6.7
147.06526	8.5
147.07832	2.1
147.11697	5.8
148.03911	3.0
149.01175	3.6
149.02354	60.2
149.09619	7.4
149.13260	8.2
149.14384	2.2
150.57172	2.4
153.05492	14.6
153.07024	2.6
155.08615	4.0
157.10129	9.5
159.11684	4.8
161.05972	4.0
161.09557	2.5
161.13234	5.0
163.11227	2.8
163.14865	2.7
165.09183	2.6
165.12723	2.9
167.08691	2.5
169.10078	3.3
171.06552	6.7
171.08107	2.1
171.11760	3.8
173.09674	3.1
173.13289	8.5
175.07567	7.5
175.11339	3.4
175.14836	3.6
176.51010	2.0
177.05568	2.5
183.06654	3.3
187.11227	2.7
191.10872	2.3
195.08029	2.9
197.13211	4.9
201.07585	2.9
203.07069	7.1
209.33214	2.1
215.14325	4.5
221.08078	4.8
231.08252	2.3
233.15382	3.2
239.09163	6.8
250.06252	5.2
257.18848	3.5
265.08771	4.2
275.11163	5.9
275.20111	15.9
275.23624	3.7
276.19586	13.7
293.08008	8.3
293.11880	8.0
293.17990	6.0
293.21219	18.6
293.24802	9.7
294.20465	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	292.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45860	0.9
58.99577	4.4
60.04520	1.3
67.05496	3.9
70.06574	4.5
70.53944	2.8
72.08187	2.0
76.02233	10.5
81.03411	1.0
81.07046	1.5
82.06570	3.5
84.04506	2.2
84.08147	98.0
86.99023	2.9
87.05597	1.8
88.03992	2.1
91.05463	1.0
95.08607	1.1
100.07615	2.2
105.00085	4.6
109.54630	0.9
110.06035	1.9
111.04447	1.5
112.11259	1.2
119.04982	2.0
122.02735	54.8
126.09146	5.0
128.07077	12.9
129.10248	29.4
139.03920	1.2
139.44664	0.9
146.05991	1.4
147.04445	7.0
148.04802	2.3
154.08635	100.0
171.11310	2.7
188.07326	5.2
203.03456	1.5
204.03712	2.9
204.10112	1.4
205.09775	1.2
218.11807	1.0
232.03291	4.9
233.09703	1.3
246.13182	1.4
274.12854	2.0
285.14761	0.9
292.12033	1.2
292.13104	1.2
292.19998	2.8
293.14944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74046	5.3
69.74454	8.3
96.56925	2.3
122.79123	2.2
153.23357	2.5
162.60548	2.3
167.51917	2.7
169.44167	2.4
208.16832	2.2
293.06317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
53.65764	1.7
55.01871	5.4
55.05515	20.0
56.09551	1.5
56.99498	1.6
57.03443	15.9
57.07075	2.3
59.05025	1.9
61.02894	2.0
65.03945	1.7
67.01888	2.2
67.05512	22.8
69.03432	11.7
69.07070	19.4
69.43864	13.4
70.60956	1.9
71.01347	6.6
71.05000	33.0
72.08127	1.9
73.02910	5.0
73.06572	2.0
75.04111	1.8
75.04474	8.3
79.05500	17.8
81.03426	6.8
81.07068	37.3
83.04991	29.3
83.08624	4.8
85.02912	100.0
85.06534	2.7
87.04482	3.1
91.05497	25.7
93.07053	17.2
95.04979	12.7
95.08618	26.4
97.02931	3.8
97.06546	8.9
97.10188	4.0
99.04481	5.5
101.06020	4.0
103.05485	2.9
105.07029	14.5
107.04946	5.6
107.08598	15.5
109.02868	3.9
109.06522	7.2
109.10172	15.0
111.04452	25.2
111.08086	2.3
113.06010	5.6
117.07026	5.2
119.04896	2.5
119.08589	8.7
121.06517	4.1
121.10157	11.9
123.04464	3.1
123.08102	4.7
123.11705	7.8
125.06004	3.4
125.09687	2.5
127.03902	3.1
128.06314	1.7
129.05490	24.9
131.04948	5.0
131.08562	3.7
133.10156	8.5
135.08098	3.2
135.11685	5.6
137.05902	1.8
137.09579	2.0
137.13284	4.6
143.08571	2.5
145.10152	6.8
147.04453	2.9
147.06522	11.9
147.11716	5.7
149.02338	14.9
149.09578	4.1
149.13272	4.1
151.03888	2.1
151.07655	1.7
151.11151	3.9
153.05466	11.8
156.09351	2.0
157.04947	3.7
157.10136	3.0
159.06459	3.0
159.11719	5.4
161.06018	2.8
161.13258	1.7
163.11153	4.2
167.03391	1.9
171.06564	9.3
173.13231	1.9
175.07549	2.6
175.11237	1.9
183.06549	3.3
187.11166	1.8
201.07578	5.2
213.07629	2.6
221.95929	1.8
233.04451	3.2
239.09181	7.7
257.10223	3.0
257.19061	4.0
275.11334	6.3
275.20084	26.6
276.19525	2.1
293.08060	10.5
293.12103	4.3
293.18182	2.1
293.21234	10.2
293.24741	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03942	3.2
55.05513	37.1
57.07076	10.0
59.04990	3.2
60.85763	1.3
65.03941	2.1
67.05510	45.9
69.03429	2.9
69.07072	40.9
69.22787	11.7
70.06564	1.5
71.04990	1.5
71.08631	2.5
72.08153	6.5
73.04039	1.9
79.05502	23.9
80.04964	1.2
81.03425	5.4
81.07062	100.0
82.06594	9.6
83.04989	6.4
83.08623	25.3
84.08181	1.6
85.06546	9.5
85.10200	1.7
91.05489	12.7
91.58120	2.7
93.07050	39.3
95.04952	3.7
95.08614	90.7
96.08936	1.6
97.02883	1.7
97.06526	8.9
97.10167	11.9
99.08119	6.3
100.07628	3.5
100.11268	21.9
103.05503	1.8
105.07039	13.3
107.04995	2.9
107.08604	37.1
109.02908	1.8
109.06491	2.2
109.10164	79.8
110.06054	8.2
111.04452	4.9
111.08086	10.3
111.11720	5.5
113.09644	1.5
115.08700	4.7
116.09015	2.5
118.06589	1.7
119.04941	1.6
119.08575	9.5
121.06530	1.2
121.10155	34.8
121.11034	1.9
123.08055	1.7
123.11715	26.7
125.09657	3.5
125.13306	2.4
126.09170	1.4
128.07095	4.8
131.08611	1.7
133.10158	7.9
135.11694	33.2
136.06235	1.5
137.13275	7.9
139.11180	9.0
140.07184	1.6
141.11488	10.1
145.10150	2.1
147.04411	4.4
147.11682	8.2
149.13271	26.6
151.07616	1.2
151.14854	5.4
153.12848	1.9
154.12265	2.7
155.11218	2.0
157.10191	1.6
161.02411	2.1
161.13249	6.6
163.03972	1.8
163.11240	1.3
163.14857	12.4
165.16435	3.4
167.14360	2.6
173.02353	3.0
175.14822	4.4
177.14706	3.7
177.16434	7.3
179.10608	1.1
179.17790	1.6
181.15923	1.4
182.15428	15.6
183.15802	1.2
189.16507	3.4
191.03436	1.6
191.17935	6.8
199.07509	1.3
199.18079	5.0
203.17896	6.0
204.66493	10.9
209.16533	5.6
209.19002	1.9
210.14890	13.3
211.15149	1.8
215.07048	4.2
215.14226	1.2
217.19537	5.0
218.66246	10.8
219.16412	3.5
221.18985	1.7
225.15933	1.3
227.17627	2.0
231.08047	1.4
235.20683	1.5
241.08366	1.4
245.07938	1.6
247.24170	3.8
248.08171	2.0
273.25739	13.5
291.08786	2.2
291.16763	1.5
291.19748	2.8
291.22754	13.7
291.26846	51.6
292.19247	6.5
309.25299	2.7
313.11301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.02375	1.1
52.07179	1.1
53.03934	3.4
54.06182	0.9
55.01863	6.5
55.05514	44.4
57.03441	5.3
57.03666	1.0
57.06830	1.0
57.07082	16.3
59.04977	1.3
65.03934	2.3
67.05508	51.1
67.05877	2.4
69.03430	6.2
69.07072	66.3
69.32781	8.7
70.06581	2.8
70.68930	1.0
71.04975	4.5
71.08639	8.2
77.03906	1.1
79.05495	39.1
81.03423	5.6
81.07059	100.0
83.04980	7.6
83.08140	1.8
83.08617	29.6
84.04491	1.1
85.02892	1.4
85.04845	1.2
85.06550	4.9
85.10145	1.6
88.07607	1.0
91.05487	32.8
93.07047	53.9
94.07275	1.0
95.04964	15.2
95.08608	90.4
96.08947	1.0
97.02859	1.6
97.06532	10.4
97.10173	15.7
97.27866	1.0
98.98447	1.4
99.08083	2.8
105.03400	1.0
105.04462	1.6
105.07034	40.6
107.04960	10.8
107.08600	44.5
109.06533	11.2
109.10160	49.6
110.10544	1.0
111.08104	6.6
111.11720	7.0
113.09674	1.0
115.05435	1.8
117.07029	9.3
119.04931	1.6
119.08589	33.0
121.06496	5.6
121.10146	31.4
123.04390	1.5
123.08083	9.2
123.11709	23.3
125.05986	1.2
125.09618	4.7
125.13232	3.0
127.03832	1.5
127.11227	1.3
128.06183	1.4
129.07007	5.8
130.07794	1.8
131.08574	10.7
133.06516	4.7
133.10123	22.5
135.08066	11.8
135.11696	20.7
137.09642	6.9
137.13254	10.3
139.11147	2.2
143.08621	4.8
143.09593	1.2
145.06415	1.1
145.10129	9.1
147.04366	2.1
147.08054	6.4
147.10641	1.6
147.11691	17.0
149.09639	6.5
149.13257	19.3
150.11256	1.0
151.07538	3.6
151.11162	4.0
151.14839	4.6
153.05550	2.5
153.12772	2.2
157.06485	1.5
157.10156	4.7
159.08064	1.5
159.11736	4.1
161.09595	4.9
161.13278	12.3
163.11134	4.6
163.14825	9.1
165.12769	4.7
165.16370	2.0
167.14330	1.1
169.10078	1.1
171.11668	3.5
173.09602	1.1
173.13237	1.6
175.11159	1.7
175.14856	6.4
177.16435	5.8
179.14346	2.3
179.17833	1.8
185.13242	3.0
189.11197	1.4
189.12752	2.2
189.16377	5.9
191.17920	3.4
193.19510	1.6
195.11597	1.8
199.14713	1.5
201.12804	1.5
203.14372	1.7
203.17915	4.4
207.13792	2.8
213.12848	1.2
213.16310	1.5
217.12234	1.0
217.15839	3.0
217.19496	6.7
227.18033	1.2
235.20561	2.1
245.19067	2.3
247.24289	2.2
249.11057	1.6
249.14804	2.3
255.17480	3.4
273.18512	22.9
273.25769	19.6
291.09879	1.1
291.12967	1.3
291.19617	42.1
291.23187	2.3
291.26819	65.4
292.19946	1.1
292.27103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03929	3.7
55.01864	3.1
55.05513	20.8
57.07061	2.6
65.03933	1.5
67.05511	42.2
69.03427	1.4
69.06730	1.2
69.07074	20.8
71.04987	1.4
71.08637	1.4
73.06543	2.4
79.05501	64.0
81.07062	56.6
83.04988	1.8
83.08616	8.4
85.06526	5.4
91.04982	2.3
91.05492	32.5
93.07050	96.3
95.04977	9.9
95.08616	39.4
97.06514	3.4
97.10159	5.7
99.08083	3.8
105.07036	20.0
107.08603	58.2
109.06538	19.8
109.10165	16.0
111.08044	2.1
112.10732	1.2
115.05399	1.7
117.07010	5.7
119.08592	21.8
121.06432	1.8
121.10155	49.8
121.29124	1.3
123.08046	5.5
123.11688	5.5
125.09656	1.4
129.06998	4.0
131.08600	8.9
133.10152	16.5
135.08035	4.2
135.10710	3.1
135.11707	55.5
137.09607	3.6
139.11172	2.1
143.08530	4.1
145.10135	6.6
147.07957	1.4
147.11699	13.5
149.09624	5.5
149.13271	37.7
151.11200	1.9
157.10097	3.7
159.11673	8.9
161.09642	2.0
161.13258	9.7
163.11177	3.4
163.14830	12.4
165.12746	14.6
165.16022	1.3
171.11681	4.9
173.13277	4.1
175.11162	3.5
175.14861	6.8
177.12743	3.1
177.16451	1.4
185.13252	4.3
189.12747	2.5
199.14830	2.3
207.13766	1.9
209.15195	2.7
213.16406	2.7
217.15837	1.9
217.19548	5.4
221.15327	1.8
231.17534	1.6
231.21089	1.8
235.16989	7.0
241.19537	6.8
244.48613	1.2
249.18532	4.5
259.20572	12.4
291.19595	16.3
291.23163	100.0
303.38107	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
52.07179	1.1
53.03934	3.4
54.06182	0.9
55.01863	6.5
55.05514	44.4
57.03441	5.3
57.03666	1.0
57.06830	1.0
57.07082	16.3
59.04977	1.3
65.03934	2.3
67.05508	51.1
67.05877	2.4
69.03430	6.2
69.07072	66.3
69.32781	8.7
70.06581	2.8
70.68930	1.0
71.04975	4.5
71.08639	8.2
77.03906	1.1
79.05495	39.1
81.03423	5.6
81.07059	100.0
83.04980	7.6
83.08140	1.8
83.08617	29.6
84.04491	1.1
85.02892	1.4
85.04845	1.2
85.06550	4.9
85.10145	1.6
88.07607	1.0
91.05487	32.8
93.07047	53.9
94.07275	1.0
95.04964	15.2
95.08608	90.4
96.08947	1.0
97.02859	1.6
97.06532	10.4
97.10173	15.7
97.27866	1.0
98.98447	1.4
99.08083	2.8
105.03400	1.0
105.04462	1.6
105.07034	40.6
107.04960	10.8
107.08600	44.5
109.06533	11.2
109.10160	49.6
110.10544	1.0
111.08104	6.6
111.11720	7.0
113.09674	1.0
115.05435	1.8
117.07029	9.3
119.04931	1.6
119.08589	33.0
121.06496	5.6
121.10146	31.4
123.04390	1.5
123.08083	9.2
123.11709	23.3
125.05986	1.2
125.09618	4.7
125.13232	3.0
127.03832	1.5
127.11227	1.3
128.06183	1.4
129.07007	5.8
130.07794	1.8
131.08574	10.7
133.06516	4.7
133.10123	22.5
135.08066	11.8
135.11696	20.7
137.09642	6.9
137.13254	10.3
139.11147	2.2
143.08621	4.8
143.09593	1.2
145.06415	1.1
145.10129	9.1
147.04366	2.1
147.08054	6.4
147.10641	1.6
147.11691	17.0
149.09639	6.5
149.13257	19.3
150.11256	1.0
151.07538	3.6
151.11162	4.0
151.14839	4.6
153.05550	2.5
153.12772	2.2
157.06485	1.5
157.10156	4.7
159.08064	1.5
159.11736	4.1
161.09595	4.9
161.13278	12.3
163.11134	4.6
163.14825	9.1
165.12769	4.7
165.16370	2.0
167.14330	1.1
169.10078	1.1
171.11668	3.5
173.09602	1.1
173.13237	1.6
175.11159	1.7
175.14856	6.4
177.16435	5.8
179.14346	2.3
179.17833	1.8
185.13242	3.0
189.11197	1.4
189.12752	2.2
189.16377	5.9
191.17920	3.4
193.19510	1.6
195.11597	1.8
199.14713	1.5
201.12804	1.5
203.14372	1.7
203.17915	4.4
207.13792	2.8
213.12848	1.2
213.16310	1.5
217.12234	1.0
217.15839	3.0
217.19496	6.7
227.18033	1.2
235.20561	2.1
245.19067	2.3
247.24289	2.2
249.11057	1.6
249.14804	2.3
255.17480	3.4
273.18512	22.9
273.25769	19.6
291.09879	1.1
291.12967	1.3
291.19617	42.1
291.23187	2.3
291.26819	65.4
292.19946	1.1
292.27103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03935	4.3
55.05309	1.3
55.05518	16.6
57.07048	2.3
59.04985	2.2
67.05508	41.4
69.07072	19.8
69.87241	6.9
73.06550	2.6
77.03917	3.2
79.05496	78.9
81.06583	2.8
81.07061	52.7
83.08628	8.0
84.04615	1.3
85.06545	3.6
85.21021	1.4
91.05492	27.1
93.07049	100.0
95.04969	5.0
95.08614	31.1
97.06519	2.7
97.10150	5.6
98.21387	2.7
105.04528	1.5
105.07046	16.6
107.08601	63.8
109.06510	2.7
109.10165	14.3
111.08051	1.7
117.07066	4.9
119.06145	1.6
119.08582	15.2
121.10155	51.7
123.11714	3.7
125.09650	1.3
129.07016	2.0
131.08565	5.1
133.10143	14.0
135.10683	3.3
135.11702	67.9
137.09596	2.4
141.09067	2.0
143.08559	2.0
145.10100	5.1
147.11722	11.5
148.18999	1.4
149.09601	3.5
149.13272	38.1
151.11176	1.7
157.10167	2.7
159.11691	5.6
161.13287	9.8
163.11139	2.6
163.14836	11.0
171.11740	3.3
173.13258	2.5
175.11156	1.7
175.14839	6.4
177.05197	1.5
177.12729	4.0
185.13220	4.1
195.13782	1.6
199.14809	2.3
203.14265	2.9
209.15352	1.9
213.16371	3.5
217.19597	2.0
221.15384	2.2
231.17459	3.2
235.17136	1.6
241.19510	6.1
249.18504	2.2
253.44774	1.4
259.20584	9.2
291.23193	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03933	5.1
55.01859	3.3
55.05511	21.0
57.03441	2.0
59.05001	1.9
65.03938	1.9
67.05506	39.8
69.07068	18.2
69.46058	6.8
69.46465	2.7
71.04992	1.5
71.72809	1.0
77.03897	1.3
79.05495	69.7
81.03431	1.7
81.07058	55.9
83.04987	2.7
83.08622	10.5
85.06532	3.7
91.05479	30.1
91.97284	1.2
93.07046	100.0
93.35222	1.2
95.04978	7.9
95.08604	38.1
96.71946	1.2
97.06532	3.2
97.10159	5.2
98.21473	2.7
103.05382	1.2
105.04513	2.1
105.07030	22.9
107.04964	4.2
107.08595	54.0
109.06519	4.8
109.10156	14.1
111.08099	2.3
117.07044	6.4
119.08576	19.6
121.06496	1.6
121.10152	46.5
121.11033	2.5
123.08073	4.1
123.11691	4.0
127.01022	1.4
129.07013	3.6
131.08577	10.4
133.06477	1.5
133.10136	13.7
135.08087	6.3
135.11697	49.9
137.09636	2.6
139.07542	1.6
139.11208	1.5
142.07753	1.5
143.08559	2.7
145.10124	9.0
147.08038	4.3
147.11679	10.3
149.09613	6.0
149.13254	34.0
157.10155	3.5
159.11685	7.4
161.09619	3.8
161.13261	7.3
163.11208	4.7
163.14813	11.1
171.11697	4.8
172.71141	1.2
173.13260	3.9
175.11122	1.9
175.14789	3.4
177.12764	3.9
177.16353	1.3
185.13310	3.2
189.12762	3.9
195.13821	1.4
199.14861	1.7
209.15280	2.4
217.15932	2.2
217.19543	1.8
221.15335	1.6
228.46687	1.2
231.17520	2.8
235.16942	2.2
241.19550	5.0
245.19069	2.7
249.18523	2.9
259.20557	7.4
273.18530	6.1
291.19565	37.2
291.23175	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02370	1.3
53.03944	6.2
55.01881	9.6
55.05515	35.4
55.93132	1.2
57.03435	4.2
57.07082	6.9
58.02547	1.3
65.03934	2.6
67.05509	53.4
69.03432	3.9
69.07072	25.3
69.81657	2.0
69.82066	5.4
71.04991	4.3
73.06567	1.9
74.64125	1.2
75.47242	1.1
79.05497	82.2
81.03425	4.8
81.07063	75.8
83.01369	3.1
83.04992	10.2
83.08623	15.5
85.06559	6.3
91.04900	2.0
91.05484	52.7
93.07048	93.1
95.04975	14.1
95.08611	42.0
97.06539	7.5
97.10179	5.3
103.05464	2.0
105.04521	1.9
105.06316	1.5
105.06426	0.8
105.07035	34.5
107.04961	12.6
107.07868	2.6
107.08604	55.6
109.02824	1.7
109.06538	16.5
109.10149	20.6
111.04453	3.8
111.08073	7.3
115.05425	2.6
117.07018	13.0
119.04955	3.0
119.08583	27.9
121.06518	12.2
121.10157	40.7
123.04463	3.0
123.08074	8.6
123.11716	4.8
125.00889	1.4
125.05991	3.3
125.09653	3.1
128.06197	2.5
129.06999	8.0
131.08585	18.7
133.06508	11.3
133.10139	25.2
134.07262	1.4
135.08086	12.6
135.11691	41.7
137.06035	2.8
137.09613	5.1
139.07545	4.4
141.06888	1.5
143.08594	11.2
145.06535	1.8
145.10127	14.1
147.04405	3.5
147.08052	11.4
147.11696	12.3
149.09613	12.7
149.13266	23.6
151.07556	2.1
151.11208	6.8
153.09233	1.7
157.10141	6.9
159.08060	1.9
159.11681	8.6
161.09651	12.9
161.10854	2.0
161.13306	9.5
163.11172	7.1
163.14810	7.4
165.09151	2.7
167.08629	1.7
167.10704	2.1
169.10199	2.0
171.11676	8.4
173.09657	2.2
173.13319	4.3
175.11218	8.1
175.14851	4.2
177.12790	3.4
179.07054	1.5
179.10600	1.9
179.14296	1.3
181.10146	1.9
181.12291	2.7
183.11662	1.3
185.13261	4.2
189.12793	5.7
199.11194	3.4
199.14793	2.3
203.10699	4.4
203.14369	3.1
207.13820	3.2
213.16360	1.6
217.12280	2.3
217.16052	1.8
217.19484	2.5
223.39571	1.3
227.17976	4.6
230.71735	1.4
231.17409	2.7
235.13319	3.6
235.16881	2.0
237.16211	1.6
241.19577	3.2
245.19075	12.9
249.18466	3.1
255.17506	5.3
259.16962	1.8
259.20566	6.3
259.60260	1.3
263.20096	10.7
273.18500	44.3
291.19586	100.0
291.23187	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03946	2.9
55.01871	10.3
55.05267	3.0
55.05513	39.8
55.24254	1.8
57.03415	4.1
67.05508	26.3
69.03417	5.6
69.07075	11.0
70.47880	5.6
70.48238	2.3
71.04990	4.3
79.05069	2.5
79.05499	42.4
81.03419	2.4
81.06577	2.9
81.07058	43.8
83.04978	6.7
83.08629	13.3
84.67598	1.8
85.06535	2.5
91.05482	47.1
93.06549	2.5
93.07048	27.6
95.04961	13.1
95.08611	16.9
97.06541	3.0
97.10173	16.8
100.63261	1.9
103.05447	2.7
105.03375	2.5
105.07038	26.1
107.04984	14.2
107.08590	17.6
109.06503	6.6
109.10152	9.3
111.08120	2.4
115.05421	2.7
116.06230	2.9
117.07025	22.0
119.04922	3.2
119.08588	45.5
121.06510	12.5
121.10149	9.0
123.08089	3.5
125.09621	17.2
126.56512	1.8
128.06233	2.4
129.07031	10.0
130.07817	2.0
131.08568	21.2
133.06482	7.2
133.10127	7.3
135.08076	14.0
135.11655	2.0
137.05849	2.3
143.08594	12.5
145.10139	15.9
147.08058	35.1
147.11696	2.7
149.09633	6.7
151.07520	5.6
157.10147	8.5
159.08069	2.6
159.11696	6.8
161.09660	6.2
163.11177	2.7
169.10123	2.5
171.10168	2.0
171.11678	3.4
185.13344	4.4
189.11246	9.6
189.12744	2.5
191.14600	1.7
195.11714	2.5
227.17940	2.6
231.13736	2.3
249.14893	5.2
255.17422	7.7
269.60547	1.8
273.18506	60.2
291.19540	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.57524	0.3
53.03941	0.5
55.01873	1.7
55.05515	7.1
57.03429	0.5
59.05006	0.4
59.49694	0.3
65.03916	0.4
67.05512	4.6
69.03425	0.9
69.06791	0.2
69.07077	2.4
70.13319	1.1
71.04974	0.7
79.05064	0.4
79.05500	6.1
81.03412	0.6
81.07063	5.3
83.04979	1.1
83.08626	3.3
85.06569	0.2
85.36252	0.3
85.78456	0.2
88.43930	0.3
91.05482	5.7
93.06471	0.4
93.07048	5.1
94.04189	0.5
95.04968	2.2
95.08601	1.9
97.06528	0.5
97.10165	2.5
97.40106	0.2
98.20826	0.3
103.05471	0.4
105.07037	5.1
107.04958	2.9
107.08599	3.0
108.05727	0.4
109.06510	0.9
109.10154	0.7
111.08069	0.4
115.05447	0.4
116.06205	0.5
117.07030	2.1
119.04961	1.5
119.08581	4.1
120.05704	0.6
121.06512	1.6
121.10134	0.9
123.08074	1.4
125.09653	1.3
128.06213	0.4
129.06993	1.7
130.07780	0.7
131.04947	0.3
131.08591	2.7
133.06509	3.3
133.10155	1.2
134.07272	1.0
135.08043	0.7
135.11668	0.6
137.09665	0.5
142.07710	0.3
143.08542	1.0
145.10101	2.1
147.08052	3.3
147.11725	0.4
149.09596	1.3
157.10129	0.9
159.11732	0.6
161.09621	1.4
162.10405	1.4
163.11200	0.9
165.09073	0.4
171.11647	0.5
175.11209	0.7
185.13243	0.3
223.13306	1.1
249.14880	2.4
255.17497	0.3
262.15561	0.4
263.16391	0.4
273.18558	2.2
279.99152	0.2
291.19550	100.0
292.19888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03942	4.2
54.78599	1.9
55.01872	5.9
55.05513	18.8
57.03436	5.3
57.07059	6.1
59.05003	3.9
65.63855	1.7
67.05508	22.1
69.03425	5.9
69.07071	26.6
70.80605	3.9
71.04988	4.4
71.08630	1.9
72.08133	1.7
79.05058	2.7
79.05492	31.6
81.03420	2.3
81.07069	42.9
83.04971	5.6
83.08622	12.0
83.81858	1.7
85.02888	1.9
85.06531	4.5
91.05484	23.4
91.82987	1.6
93.07049	44.5
95.04974	5.8
95.08055	3.3
95.08614	45.6
97.06537	10.5
97.10164	6.7
98.97546	1.9
99.08099	3.1
105.07034	36.7
105.36057	1.8
107.04930	10.3
107.08595	38.4
109.06522	36.6
109.10175	19.2
111.08073	6.6
111.11733	3.9
115.05483	2.6
117.07052	8.7
119.04967	2.2
119.08588	20.7
121.06499	2.6
121.10148	53.9
123.04449	1.8
123.08088	8.1
123.11699	10.2
125.09591	10.3
129.06982	6.7
131.08585	12.0
133.06502	4.7
133.10120	12.7
135.08072	23.9
135.11722	8.8
137.09624	5.6
137.13223	4.1
139.11159	5.3
143.08571	4.8
145.10136	8.2
147.04396	3.6
147.08038	6.4
147.11655	8.0
149.09642	19.3
149.13231	8.7
151.07549	11.2
151.11180	2.5
151.14865	2.3
153.09099	2.0
157.10161	10.4
158.10811	1.8
159.08049	3.7
159.11664	4.0
161.09624	6.6
161.13257	4.5
163.11177	3.5
163.14856	4.2
167.10684	100.0
171.11679	4.2
173.09637	3.1
173.13266	6.4
175.11226	8.5
177.16368	3.7
185.13263	3.2
189.12740	5.5
189.16241	2.0
191.10637	9.8
191.14313	5.6
207.13719	8.0
213.94005	1.9
215.14355	5.5
217.12323	2.5
217.15886	4.2
217.19577	2.0
227.17923	1.8
231.17337	3.5
233.15363	15.3
245.19057	3.0
255.17393	3.4
273.18503	24.5
273.25586	4.3
274.72217	1.9
286.09348	2.0
291.10052	2.7
291.19556	52.8
291.22968	2.4
291.26709	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.02385	0.2
53.03962	1.0
55.01877	1.9
55.05515	8.3
55.86374	0.2
57.03445	1.0
57.07069	0.5
58.60122	0.2
59.04978	0.4
65.03927	0.5
67.05177	0.4
67.05510	5.2
69.03426	1.3
69.06724	0.3
69.07073	3.8
69.99613	0.9
71.04980	0.8
71.08616	0.3
77.03909	0.2
79.05500	8.3
79.05967	0.4
81.03430	1.0
81.07063	6.8
83.04991	1.3
83.08630	3.2
85.06541	0.6
86.73168	0.2
91.05487	7.0
93.06476	0.4
93.07051	7.2
94.04179	0.4
95.04982	4.0
95.08617	3.4
97.06533	0.6
97.10174	3.5
103.05470	0.5
105.03381	0.3
105.04515	0.2
105.07037	7.0
107.04964	2.9
107.08602	4.3
108.05739	0.3
109.06551	1.3
109.10147	1.3
111.08041	0.6
115.05440	0.4
116.06236	0.7
117.07040	3.1
119.04950	2.2
119.07803	0.3
119.08600	4.6
120.05724	0.5
121.06503	2.5
121.10164	2.0
123.08089	1.7
123.11720	0.4
125.09631	1.8
125.28776	0.2
128.06233	0.6
129.07018	1.7
130.07774	0.7
131.04886	0.2
131.08578	3.1
133.06508	3.7
133.10147	1.6
134.07277	1.2
135.08067	1.9
135.11720	1.2
137.09596	0.6
142.07793	0.7
143.08566	1.7
144.09500	0.2
145.06541	0.5
145.10139	2.3
147.08049	4.1
147.09219	0.2
147.11670	1.1
149.09631	1.6
149.13243	0.5
151.07533	0.4
157.10162	0.7
159.08022	0.3
159.11716	0.7
161.09641	1.4
161.13310	0.6
162.10458	1.4
162.11667	0.2
163.11195	0.9
163.14803	0.2
165.09117	0.5
171.11684	0.8
173.13362	0.2
175.11205	0.9
177.12752	0.2
185.13200	0.4
189.11220	0.3
189.12787	0.4
199.14691	0.2
200.15872	0.2
207.13873	0.4
217.15800	0.4
217.19563	0.4
223.13335	1.5
231.17511	0.3
233.15247	0.2
236.14131	0.2
241.19562	0.3
245.19057	0.4
249.14931	2.4
255.17360	0.4
259.20908	0.3
261.14963	0.7
262.15582	0.3
263.16431	0.4
273.18515	3.4
291.19562	100.0
292.19919	1.1
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	Tuberatolide A
Peak:m/z	Relative Intensity
52.13166	0.9
53.03940	3.5
55.01633	1.3
55.01878	21.3
55.05513	14.5
56.19805	0.9
57.03193	1.1
57.03441	15.7
58.44878	0.8
59.04966	0.9
59.36089	0.9
65.03931	4.3
67.05172	1.8
67.05509	23.5
69.03419	2.1
69.07063	5.7
71.04977	1.7
71.31170	2.4
72.09805	1.0
79.05499	44.6
81.03416	3.2
81.07060	26.2
83.04982	4.1
83.08631	5.8
85.06561	4.7
89.07175	1.0
91.05487	32.1
93.07056	24.6
94.06937	1.0
95.04976	7.4
95.08614	11.0
97.06549	3.4
97.10162	2.8
105.04561	1.1
105.07035	23.3
107.04974	14.0
107.08604	27.4
109.06527	65.7
109.10131	5.6
113.06017	1.9
115.05461	3.7
116.06254	1.6
117.07015	13.9
119.04917	1.0
119.08598	10.5
121.06481	6.2
121.10165	5.6
123.08054	5.1
128.06232	2.2
129.06999	8.7
131.08574	18.2
133.06511	5.9
133.10159	7.2
135.08064	100.0
135.11653	5.6
135.90695	1.0
137.09612	1.3
142.07780	1.3
143.08586	8.4
145.10150	11.5
147.08076	6.6
147.11693	3.0
149.09653	9.3
149.13245	1.7
151.11208	1.8
155.08572	1.3
157.10155	5.5
159.08026	1.9
159.11691	6.5
161.09624	11.7
161.13219	1.3
163.11209	3.1
167.76054	1.1
169.10124	1.7
171.11688	3.9
173.13310	3.0
175.11253	2.5
177.12822	1.2
183.11740	1.6
185.13303	2.5
189.16534	1.0
195.11729	2.4
199.11212	1.7
199.14870	3.3
201.12726	2.8
217.15875	19.6
219.13774	1.7
227.17963	1.7
237.16409	1.9
245.19099	3.1
255.17496	4.5
273.18506	26.6
291.19562	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03946	4.4
55.01876	5.1
55.05511	13.7
57.03435	2.6
65.03943	4.7
67.05508	63.7
69.03436	3.8
69.07074	8.7
70.81179	2.5
71.04998	3.4
79.05501	25.0
81.03419	3.9
81.07059	24.6
83.04981	3.2
83.08622	4.1
85.06557	1.7
91.05482	23.9
91.06010	1.9
93.07046	25.1
95.04974	100.0
95.08627	13.6
97.06548	4.7
97.10180	2.8
103.05457	1.7
105.04538	1.2
105.07026	20.8
105.07679	1.7
107.04976	12.3
107.08590	10.0
109.06509	11.8
109.10191	3.3
111.08086	3.9
112.43911	1.3
113.68881	1.4
117.07013	7.4
119.04973	2.4
119.08593	11.1
121.06520	11.2
121.10110	6.6
123.08087	4.9
123.11679	1.5
125.09609	1.8
129.07019	3.9
131.08585	13.2
133.06509	4.6
133.10153	6.6
135.08066	6.2
135.11708	8.5
137.05988	3.3
143.08578	11.5
145.10106	9.0
147.08052	8.7
147.11731	3.9
149.09651	5.3
149.13245	2.9
157.10147	3.4
159.08099	1.8
159.11623	2.3
161.09631	2.9
161.13326	1.4
163.11234	4.8
169.10101	2.0
171.11658	1.7
175.11084	1.8
177.12715	3.4
185.13242	1.5
187.11211	2.9
195.11711	1.9
205.12276	1.6
207.13779	2.2
209.13385	1.3
245.19206	2.3
255.17537	1.9
260.68649	1.5
264.83319	1.3
273.18500	19.6
291.19577	31.8
291.22943	3.5
291.26697	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.70407	1.6
53.03940	4.8
55.01875	16.9
55.05513	20.2
57.03439	16.9
58.27072	1.7
59.46536	1.5
65.03930	5.9
67.05508	66.5
69.03419	7.3
69.07073	10.6
69.23547	14.8
69.95236	1.6
71.04994	3.1
73.34100	1.9
79.05495	49.8
81.03410	4.8
81.07062	40.4
83.04977	7.3
83.08609	5.4
85.06523	5.0
91.05485	41.7
93.07044	33.5
95.04974	100.0
95.08620	13.2
97.06541	7.9
97.10165	2.9
97.36736	1.6
105.06389	2.7
105.07033	27.4
107.04958	24.6
107.08591	28.6
109.06519	77.3
109.10165	4.7
111.08088	4.4
115.05462	3.3
116.06255	2.1
117.07048	13.0
119.04964	1.8
119.08575	15.3
121.06509	11.6
121.10154	10.8
123.08077	7.1
123.11687	1.6
125.09673	1.7
128.06233	2.9
129.07010	11.3
131.08578	21.7
133.06490	4.3
133.10136	8.4
135.08058	86.0
135.11644	6.6
137.05983	3.3
137.09602	2.8
143.08539	9.1
145.06451	2.3
145.10094	15.8
147.08017	8.8
147.11673	3.2
149.09615	10.1
149.13251	3.9
155.08542	2.0
157.10136	5.3
159.08076	2.8
159.11708	5.5
161.09674	9.8
161.13367	2.0
163.11214	4.8
171.11699	5.7
173.09708	2.1
173.36310	1.7
175.11195	3.1
177.12746	3.3
181.10139	2.5
185.09491	1.9
185.13316	2.6
187.11198	1.9
195.11542	1.7
199.14796	2.2
201.12837	2.0
205.10422	1.9
215.77135	1.9
217.15907	14.8
219.13841	2.2
227.17896	2.4
237.16423	1.9
245.18904	2.4
255.17419	5.5
273.18512	36.8
291.19571	49.9
291.26923	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03933	1.2
55.01874	2.4
55.05512	10.7
57.03433	0.8
59.05001	0.6
61.42238	0.3
65.03944	0.4
67.05508	6.4
69.03422	1.5
69.07069	4.0
70.61366	0.7
70.61674	0.4
71.04988	1.0
76.08433	0.3
79.05495	9.9
81.03407	1.3
81.07059	9.1
83.04966	1.3
83.08616	4.8
85.06540	0.4
91.05480	8.3
93.06476	0.5
93.07050	7.7
95.04979	3.9
95.08606	3.6
97.06520	1.0
97.10177	5.4
103.05439	0.6
105.03381	0.5
105.07030	6.3
107.04955	3.3
107.08594	4.2
108.05728	0.6
109.06523	1.2
109.10144	1.2
115.05416	0.5
116.06216	0.6
117.07021	4.0
119.04943	1.8
119.08582	8.1
120.05741	0.5
121.06509	2.7
121.10152	1.8
123.08051	1.6
125.09635	3.4
128.06146	0.7
129.07011	2.1
130.07758	0.9
131.08578	4.0
132.05737	0.5
133.06500	3.2
133.10139	1.3
134.07272	1.1
135.08032	2.2
135.11670	0.7
137.09648	0.6
142.07748	0.4
143.08571	2.1
145.06491	0.4
145.10110	4.0
145.71518	0.3
146.07208	0.4
147.08044	5.6
147.11716	0.6
149.09631	1.4
153.09036	0.4
157.06432	0.3
157.10146	1.6
159.11719	1.1
161.09598	1.0
162.10373	1.0
163.11215	1.5
165.09134	0.8
171.11674	0.8
175.11160	0.8
185.13206	0.5
189.11232	1.3
209.28607	0.3
223.13321	1.7
245.19025	0.5
249.14906	3.0
255.17418	0.9
261.14865	0.5
262.15866	0.4
273.18481	7.3
291.19540	100.0
292.19891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03947	4.7
55.01876	16.5
55.05516	43.3
57.03431	8.4
57.94099	2.3
65.03946	4.1
67.05510	41.0
68.50507	2.2
69.03416	6.9
69.07067	16.1
69.57817	13.8
71.04996	4.5
79.05502	71.6
81.03410	4.0
81.07066	69.0
81.89394	2.2
83.04987	7.2
83.08626	15.7
85.06553	3.7
89.53561	2.0
91.05489	63.7
93.07053	47.8
95.04981	19.1
95.08617	25.3
97.06533	3.2
97.10182	16.8
99.08094	3.5
103.05482	3.6
105.03382	3.0
105.07040	50.5
107.04974	17.3
107.08605	25.1
109.06512	17.3
109.10159	9.8
111.08064	4.8
114.85110	2.3
115.05470	8.1
117.07024	49.4
119.04960	5.5
119.08590	58.9
121.06522	19.5
121.10140	15.1
123.08096	13.1
125.09637	14.3
128.06255	6.2
129.06998	17.3
130.07788	5.3
131.08583	44.1
133.06508	10.7
133.10117	14.1
135.08067	30.7
135.11694	7.4
141.06975	3.1
142.07756	2.7
143.08597	21.5
145.06474	3.3
145.10139	48.0
147.08081	30.6
147.11708	6.0
149.09621	8.8
151.07553	7.7
153.09148	2.3
155.08626	2.8
157.06464	2.6
157.10138	16.7
159.08035	5.0
159.11678	13.2
161.09621	17.5
161.13278	2.8
163.11174	7.4
169.10117	6.7
171.11728	10.8
175.11227	5.8
177.09056	2.5
177.12816	3.3
183.11665	4.9
185.13239	5.3
189.11172	5.6
189.12750	3.2
195.11734	4.3
199.11205	2.5
199.14844	3.8
203.14380	2.5
207.13786	5.1
211.14902	2.7
217.15981	6.3
223.13358	6.1
227.17918	5.4
245.19121	3.6
249.14821	15.5
255.17427	10.9
263.20172	2.3
273.18524	68.6
291.19571	100.0
313.24316	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01858	6.8
55.05510	18.1
57.03422	6.0
57.07067	3.5
58.24140	2.1
59.05011	3.3
64.29941	2.1
67.05507	17.4
69.03410	5.3
69.07053	7.3
70.18046	9.9
71.04981	5.3
71.21704	2.0
73.02917	2.9
79.05495	28.5
81.03444	3.1
81.07064	29.0
83.04971	4.7
83.08611	10.1
85.06540	3.4
91.05493	26.2
93.07048	29.6
95.04992	10.2
95.08607	26.7
97.06508	5.5
97.10176	4.9
98.20876	2.6
105.07037	28.2
107.04967	18.7
107.08601	17.2
109.06538	17.3
109.10160	7.9
111.08091	43.4
115.05431	3.4
117.07009	14.1
119.08595	19.6
121.06483	7.5
121.10136	11.3
123.08075	32.7
125.09666	2.6
128.06232	5.0
129.07004	8.3
130.07764	3.2
131.08569	22.8
133.06496	8.8
133.10167	13.8
135.08061	19.8
135.11713	4.9
137.09613	5.5
141.06941	2.2
143.08580	19.7
145.10124	17.4
147.08061	9.6
147.11726	10.2
149.09637	12.0
151.07550	100.0
156.09270	3.8
157.10143	15.8
159.08112	4.1
159.11699	25.0
161.09616	6.5
163.11255	5.0
165.09006	4.1
169.10188	2.4
170.10944	2.4
171.11694	10.0
173.09633	5.8
173.13292	7.9
175.11163	5.6
177.09163	2.1
178.35165	2.1
179.10701	5.5
185.13298	19.7
189.12778	31.3
191.10666	2.7
191.14235	14.2
192.11430	3.9
195.11746	2.6
197.11717	11.2
207.13812	66.9
213.12747	6.6
215.14325	3.7
217.12297	4.4
217.16013	3.0
227.17809	2.5
231.13881	17.0
233.15388	32.5
245.19083	3.6
255.17363	3.8
273.18475	32.7
291.19556	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1341
Annotation	Limazepine B1
Peak:m/z	Relative Intensity
54.15679	0.8
55.71667	0.9
56.05021	0.9
60.08167	100.0
67.05487	1.1
69.03415	2.3
70.06582	3.5
70.88241	2.2
72.04506	1.0
72.08157	4.1
79.05482	1.3
81.03413	4.9
84.08148	5.8
85.02889	1.3
86.09707	1.6
91.05473	2.6
93.07042	0.9
95.04966	0.9
96.05627	1.0
97.02886	1.8
107.04932	1.2
109.02920	1.5
111.81332	1.0
115.05422	5.1
116.01634	1.3
118.06564	9.1
119.04943	3.6
129.10245	1.1
130.06503	3.6
132.08400	2.9
138.05608	1.1
138.09120	1.0
139.05746	0.9
140.04961	6.8
140.07069	1.0
142.06516	3.4
143.07254	1.2
144.08096	4.9
146.06017	24.1
147.04422	13.5
157.07635	3.3
158.06026	53.4
160.07574	1.3
168.03094	1.7
168.04465	22.8
170.06020	22.7
171.06436	0.9
172.03934	10.6
175.07509	1.3
177.05438	1.1
186.05527	27.4
187.07591	1.2
188.07076	8.8
190.04962	2.6
196.03943	1.5
199.12386	5.7
200.10750	1.1
203.03362	2.0
203.08337	2.0
211.15260	1.2
214.05002	33.3
227.07245	1.3
227.11890	1.2
228.10274	1.5
229.16234	1.1
231.03070	1.1
232.06055	56.6
245.08115	1.9
245.12837	4.0
246.11191	0.9
247.17247	2.2
255.11279	1.1
273.07956	1.2
273.12360	29.1
273.18829	1.5
291.08578	4.0
291.13406	81.5
291.16779	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
51.18421	0.9
52.10302	0.9
55.01870	1.8
55.05522	4.9
57.03437	1.3
57.07068	3.8
59.05003	2.9
67.05509	6.8
69.03423	1.8
69.07060	3.0
70.68681	1.4
70.69019	2.3
71.04985	4.1
79.05499	6.3
81.07063	9.1
83.04988	2.1
83.08615	4.3
85.06554	2.1
91.05483	7.0
93.07063	10.0
95.04965	3.5
95.08614	14.7
97.06526	3.3
105.07027	11.9
107.04962	4.3
107.08604	9.2
109.06522	10.2
109.10154	3.6
111.08096	25.7
113.09651	1.8
117.07027	3.3
119.08585	9.3
119.44853	1.0
121.06525	3.5
121.10141	3.7
122.07270	1.5
123.08088	37.1
123.11697	1.7
125.09622	1.8
129.07018	2.0
131.08586	6.3
133.06537	3.2
133.10115	8.1
135.08070	7.3
135.11713	3.4
137.09607	3.2
141.05431	1.9
141.07027	1.2
143.08577	2.2
144.09338	1.6
145.10130	15.1
147.08047	3.6
147.11731	4.6
149.09653	4.4
149.91222	1.0
151.07555	100.0
153.09134	1.4
155.10623	1.5
156.09317	1.5
157.10162	5.3
159.08014	1.8
159.11697	4.6
161.09605	4.0
161.13275	2.0
163.11205	4.5
165.09007	1.0
169.10112	1.3
171.11722	4.3
173.09613	1.6
173.13261	4.5
174.10394	2.3
175.11176	3.8
177.09058	2.2
177.12718	2.4
179.10704	3.9
181.12233	1.3
187.11136	2.2
187.14803	2.8
189.12758	25.8
191.14322	3.9
192.11464	6.0
197.11746	15.3
197.13300	2.1
199.39755	1.0
202.44542	1.2
203.14354	2.3
207.13820	65.2
213.16406	1.8
215.14388	4.5
217.12318	2.8
231.17548	2.6
233.15390	14.2
235.13364	2.2
255.17487	3.4
273.18524	8.5
291.19568	45.0
291.22885	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0975
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
55.05510	1.3
57.86630	1.0
59.50397	1.0
59.61974	1.1
62.98215	1.1
67.05524	1.2
69.94135	6.3
75.44662	1.4
88.03983	1.8
91.05463	1.2
105.06992	1.5
107.08570	1.2
107.78517	1.2
115.05450	6.2
117.05774	2.3
118.06545	14.1
119.04984	1.5
124.70209	1.1
129.06989	2.2
130.06537	100.0
131.06886	1.6
132.08101	40.6
142.05589	1.7
142.06538	11.8
143.07283	1.3
144.08110	6.3
146.05997	19.4
147.04349	3.1
154.06519	1.5
156.02873	1.3
156.08102	3.6
157.07614	5.9
158.05994	2.0
158.08450	3.5
159.09187	89.9
160.07603	7.3
167.05983	2.0
169.07608	3.9
170.04634	2.5
170.06021	39.5
181.07527	2.8
182.06061	1.9
183.09204	5.8
184.07596	16.3
185.07117	42.3
187.08652	4.3
188.07071	42.1
189.39917	1.2
199.08679	2.6
200.07115	9.2
201.10234	12.3
205.09723	1.6
209.99034	1.3
227.08165	47.7
229.09811	1.9
231.07646	3.5
245.09236	76.1
255.07686	2.6
273.08740	7.5
273.12024	1.9
277.34033	1.3
291.09030	1.9
291.13510	1.7
291.16696	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.175
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.51286	0.4
55.05510	1.7
56.05042	4.7
56.96577	0.7
57.03439	0.7
57.07079	3.5
58.06596	1.9
60.04528	1.3
65.03936	1.3
67.04262	0.6
67.05505	8.6
68.05048	0.6
68.61667	0.4
69.07069	3.7
69.24220	4.5
69.67960	0.5
70.06577	0.8
71.08630	2.1
71.43866	0.4
72.08157	0.5
74.06092	4.8
79.05491	2.0
81.07042	2.5
82.06579	2.4
83.08659	0.6
84.04501	1.0
86.06046	0.8
88.07635	18.3
91.05466	1.4
93.03399	1.9
93.07052	3.0
95.08619	1.8
97.06531	2.3
98.20781	0.8
105.07018	0.9
107.08583	3.4
109.06519	0.9
109.10153	1.1
110.06046	26.7
110.47434	0.4
111.04446	9.7
111.08059	0.5
114.72684	0.4
117.07034	1.1
118.08649	3.0
122.08170	2.7
123.04429	1.6
126.05544	0.9
131.08640	0.6
133.10178	0.9
135.11685	2.9
137.05981	1.1
138.05508	100.0
145.06477	0.6
145.10143	0.6
157.10231	0.5
163.07588	2.1
164.70044	0.4
177.09192	0.6
189.09003	0.6
228.23253	0.6
242.22339	1.0
242.24815	19.0
272.17386	0.5
290.17703	5.9
290.26901	47.7
291.19653	2.8
297.27200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03938	2.3
55.01860	3.4
55.05268	1.8
55.05515	27.1
57.03436	1.6
57.07078	6.6
65.03934	1.3
67.05507	46.5
69.03429	2.7
69.07072	41.1
70.06592	2.0
70.73870	2.3
71.05005	4.6
71.08628	2.0
72.08150	2.7
77.03905	1.1
79.05067	2.1
79.05496	31.9
81.03429	1.4
81.07061	90.3
83.04977	3.3
83.08626	15.9
84.04490	1.8
85.02909	2.7
85.06537	3.6
87.54793	0.9
91.05482	22.2
93.07047	55.5
95.04993	5.7
95.08610	100.0
97.02889	2.8
97.06536	17.4
97.10174	8.7
99.08094	1.9
100.40669	0.9
103.05423	1.3
105.07040	32.5
107.08599	46.8
109.02853	1.3
109.06517	4.4
109.10163	66.7
111.08083	5.4
111.11749	5.4
117.07026	6.7
119.08587	32.9
119.09451	1.5
121.06523	2.2
121.10146	37.7
123.04433	2.1
123.08090	4.8
123.10816	1.5
123.11714	28.6
125.09634	3.1
125.13253	1.0
127.03918	21.4
128.06177	1.1
130.48326	1.1
131.08578	10.5
133.10144	26.2
135.04433	1.1
135.08070	1.4
135.11700	28.1
136.06189	3.7
137.09613	5.3
137.13240	9.6
139.11197	3.8
143.08586	1.3
145.06561	1.1
145.10114	12.8
147.11682	24.4
149.05891	1.1
149.09665	1.8
149.12181	1.8
149.13269	22.4
151.11203	4.4
151.14793	2.6
151.72067	1.1
153.01857	1.6
153.05417	1.2
153.12727	1.4
157.10146	1.8
159.11697	13.8
161.13264	18.0
163.03932	1.9
163.11182	2.0
163.14833	15.9
165.05421	2.0
165.12708	5.8
165.16319	1.7
173.13289	8.2
175.03938	1.3
175.14842	14.6
176.14325	1.5
176.91122	1.0
177.12776	1.6
177.16415	8.0
179.14325	3.3
187.14796	7.1
189.16423	10.2
191.17947	3.3
193.04985	2.7
193.16006	1.9
201.16461	6.6
203.03398	4.5
203.17979	2.8
205.15842	1.2
207.17535	2.1
215.17957	11.2
217.08463	1.5
218.65660	1.0
219.17458	1.3
229.19556	2.4
231.21036	2.0
233.18980	3.6
243.21030	1.6
245.08115	4.1
245.22729	2.6
271.24219	26.7
289.06226	3.4
289.10889	10.1
289.14746	1.8
289.18057	4.0
289.22260	3.6
289.25262	89.0
290.16125	3.0
290.25650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
52.80976	0.9
53.03938	2.2
55.01863	2.9
55.05270	1.4
55.05515	24.0
55.18436	1.1
57.03439	1.1
57.07079	7.2
59.05007	0.9
63.88861	0.9
65.03934	2.3
67.05508	43.3
69.03420	1.7
69.07072	37.0
70.06580	1.7
70.86436	1.0
71.04996	1.1
71.08631	2.0
71.14843	1.2
77.03930	1.2
79.05064	1.6
79.05499	23.5
81.03435	1.5
81.07061	92.0
83.04977	3.4
83.08623	13.0
84.04504	3.0
85.06541	3.3
91.05486	21.0
93.07050	49.5
95.04985	7.1
95.08613	100.0
97.02911	1.1
97.06532	7.2
97.10178	8.6
99.08112	2.0
105.07041	32.1
107.07868	2.2
107.08601	42.1
109.06514	3.4
109.10163	63.9
111.08083	4.6
111.11726	5.4
113.09632	1.1
117.07008	3.8
117.56446	0.9
119.07796	1.9
119.08594	28.7
120.08138	1.4
121.06516	2.1
121.10154	34.4
123.08041	4.2
123.11707	20.9
125.09618	4.0
125.13275	1.6
127.03919	10.2
129.07072	1.0
131.08583	9.5
133.10139	26.1
135.04482	1.7
135.08089	1.2
135.11697	24.4
137.06033	1.4
137.09624	3.3
137.13263	7.0
139.11174	4.3
143.08597	1.4
145.10123	12.1
147.04411	1.1
147.11696	22.4
149.09686	1.1
149.13258	17.7
151.11194	4.4
151.14819	3.2
153.01839	6.9
157.10165	1.3
159.11690	12.3
161.13274	19.2
163.03906	5.6
163.14838	14.1
164.07071	1.4
165.12825	5.0
165.16408	0.9
169.52129	1.0
173.13232	8.6
175.14856	11.2
177.12804	1.1
177.16365	7.6
179.14357	3.7
187.14859	4.1
189.16380	9.6
191.18005	2.3
193.05035	1.4
193.15863	2.3
201.16348	6.6
203.03438	2.2
203.18001	2.0
205.16064	1.6
207.17567	1.5
215.17970	9.1
219.17453	2.3
229.19530	1.3
231.21152	1.2
233.19060	2.3
243.21033	1.6
245.08212	1.9
245.22739	1.8
271.24213	28.5
289.07599	5.4
289.10538	6.4
289.15317	1.9
289.25290	90.0
290.25589	1.3
314.08136	0.9
314.62082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01865	1.7
55.05262	1.1
55.05513	16.1
59.04999	2.1
65.03949	0.9
67.05513	17.6
69.03431	1.3
69.07076	13.3
70.84729	2.4
73.06552	2.3
74.69257	0.9
79.05499	16.9
81.07065	21.8
81.37043	1.0
83.04969	1.3
83.08633	4.8
85.06530	3.6
91.05490	47.2
93.07053	17.3
95.05030	1.4
95.08617	15.9
97.06520	2.2
97.10197	2.0
100.13600	0.9
101.05943	0.9
103.05450	1.4
105.07040	68.6
107.08600	11.6
109.06493	1.3
109.10165	6.5
111.08048	1.0
112.04337	0.9
115.05483	1.2
115.07569	0.9
117.07023	12.2
119.08589	49.6
121.10162	7.1
123.08058	1.2
123.11720	2.0
125.09634	1.2
129.07014	2.5
130.07758	1.2
131.08572	18.5
133.10147	50.5
135.08047	1.6
135.11725	2.2
137.09615	1.7
141.06993	2.4
143.08556	3.2
145.10129	16.6
146.10970	1.1
147.11696	25.5
149.09660	2.0
149.13242	2.2
155.08554	2.3
157.10135	3.6
159.11705	15.0
161.09587	1.4
161.13255	11.7
163.11177	1.6
169.10130	2.4
171.11746	4.3
173.09654	1.4
173.13272	12.6
175.11087	1.9
175.14868	2.0
183.11746	5.1
185.13225	1.7
187.11220	2.2
187.14777	1.7
197.13315	5.3
201.12804	3.0
201.58655	0.8
207.13824	1.0
211.14813	1.9
213.16313	1.8
215.14467	1.5
215.17982	2.9
229.19513	2.0
231.31363	0.9
239.17964	6.8
257.19080	12.0
271.24060	1.2
289.18546	3.3
289.21643	100.0
290.21991	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03942	2.0
55.01872	1.4
55.05267	1.1
55.05512	15.3
59.04981	1.6
65.03922	1.2
67.05508	16.3
69.07072	12.4
69.48699	3.9
69.49123	3.4
70.95967	0.9
71.05019	1.2
73.06527	1.4
79.05498	15.0
81.07059	19.2
82.59583	0.9
83.08612	6.6
85.06551	2.4
91.05486	43.8
93.07046	15.9
93.08134	0.9
95.04948	1.7
95.08612	15.2
97.06499	1.9
97.10171	1.2
103.05467	1.9
104.06203	0.9
105.07037	63.7
107.08603	8.3
109.06475	1.9
109.10160	7.0
115.05417	1.4
117.07034	11.8
118.07773	1.7
119.08587	49.7
121.10155	4.7
123.08064	2.0
125.09605	1.6
129.06993	4.5
131.08575	16.7
133.10135	36.4
135.08032	2.0
135.11693	2.9
141.06998	1.8
143.08539	2.8
145.10121	17.5
147.11696	24.9
149.09572	1.9
155.08542	1.7
157.10146	5.9
159.11710	14.9
161.09610	1.1
161.13272	11.0
163.11180	1.4
167.09659	1.0
169.06207	1.0
169.10104	3.2
171.11662	4.5
173.13287	8.7
175.11185	1.4
183.11682	4.2
185.13237	1.1
187.11176	1.5
189.12663	1.5
197.13274	3.4
211.14825	2.3
213.16423	2.1
215.17966	2.5
229.15948	1.7
229.19514	1.4
233.15306	1.2
239.17911	7.8
257.19049	11.8
261.41232	1.1
289.21619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03947	2.6
55.05260	1.9
55.05516	24.5
57.03443	1.4
59.04997	2.5
65.03902	2.3
67.05512	20.7
69.07080	10.6
69.87109	6.7
73.06554	3.0
79.05495	19.3
81.07063	27.9
83.05014	2.0
83.08628	12.0
85.06546	2.1
87.74545	1.3
91.05485	61.4
93.07054	16.1
94.17759	1.2
95.04939	1.7
95.08619	16.5
97.06549	1.9
97.10194	6.4
99.08089	1.6
103.05509	2.6
105.07040	99.8
107.08597	11.8
109.10158	6.2
117.07021	14.6
118.97466	1.5
119.08592	45.7
121.10139	6.5
123.08048	1.7
125.09624	5.7
129.07001	5.4
131.08578	23.1
133.10138	54.1
135.08104	2.1
135.11670	3.7
143.08575	5.5
145.10130	36.5
147.11694	45.8
149.09642	1.7
155.08562	1.9
157.10146	3.5
159.11726	14.0
161.09622	1.4
161.13286	11.6
169.10175	2.8
171.11668	6.8
173.13258	11.3
175.11153	2.3
175.14807	2.7
183.11691	5.6
185.13315	2.0
187.11154	2.4
187.14825	1.4
197.13298	5.4
215.14304	1.6
215.17978	3.4
239.17964	10.7
257.19040	31.2
289.18347	4.9
289.21634	100.0
290.21936	2.4
293.70798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
53.03933	3.5
55.01862	1.5
55.05267	1.5
55.05514	26.8
57.03428	4.0
57.07063	5.2
65.03938	1.8
65.13543	1.3
67.05508	37.9
69.03428	3.1
69.06723	1.9
69.07072	29.5
71.04984	4.0
71.08604	1.8
73.06547	3.3
76.18556	1.3
77.03947	1.3
79.05063	2.1
79.05495	32.6
81.03429	1.6
81.07061	65.9
83.04960	4.5
83.08628	14.2
84.04502	2.5
85.02905	1.5
85.06520	3.4
91.05482	31.0
93.07047	71.5
95.04974	7.2
95.08611	88.1
97.02882	2.1
97.06535	13.7
97.10172	10.4
99.08079	2.1
103.05441	2.1
105.07037	62.5
107.04939	3.7
107.08598	73.5
109.06528	8.6
109.10159	60.2
109.10931	2.6
111.04440	1.8
111.08100	4.8
111.11713	2.7
113.06022	2.1
115.07574	1.3
117.06998	10.8
119.04966	1.4
119.08585	64.4
121.06497	5.9
121.10149	66.4
123.04430	3.0
123.08090	8.6
123.11711	17.9
125.05994	4.6
125.09629	4.2
127.03909	23.3
129.07031	3.9
131.04939	1.6
131.08572	22.9
133.06500	3.5
133.10138	50.8
135.04472	1.7
135.08057	5.0
135.11703	38.4
137.06006	3.0
137.09607	7.9
137.13240	4.5
139.07520	2.6
139.11157	1.9
141.06932	2.2
141.09094	6.1
142.07776	2.0
143.08536	6.8
145.06496	2.4
145.09026	2.4
145.10132	32.6
145.11278	1.9
147.04457	2.4
147.08078	6.6
147.10495	2.7
147.11688	53.2
149.05972	2.8
149.09599	5.2
149.13266	43.6
151.11195	2.3
153.05434	2.2
153.09145	2.8
154.95966	1.3
155.05923	1.9
155.08601	2.7
155.10674	5.2
156.01680	1.4
156.09341	1.3
157.10155	7.1
158.10931	2.4
159.08052	9.1
159.10442	2.6
159.11703	39.3
161.09634	5.0
161.13249	28.3
163.03923	2.4
163.07510	1.9
163.11206	2.9
163.14801	7.9
164.07071	4.7
165.05444	1.4
165.09096	2.5
165.12730	1.9
169.06395	1.2
169.10083	3.4
171.11714	6.0
171.98573	1.5
173.09676	4.3
173.13263	35.9
174.13884	1.9
175.07512	1.9
175.11169	5.0
175.14830	15.6
177.09103	2.3
177.12737	1.5
177.16359	4.7
179.10657	4.0
179.14288	2.6
183.11710	3.1
185.13272	5.8
187.11162	1.9
187.14839	27.2
189.12735	3.7
189.16370	35.8
191.10645	1.7
191.14384	1.5
193.05095	1.8
193.12218	11.2
197.13301	4.1
199.14763	3.4
201.12758	2.3
201.16397	11.9
203.03365	3.6
203.18010	1.8
205.12202	4.7
207.13757	8.5
211.14825	2.8
213.16292	1.7
215.14372	6.7
215.17963	4.6
219.13774	9.1
221.15282	1.5
221.94301	1.3
227.17882	5.7
229.08589	1.9
229.15880	3.7
229.19524	35.1
233.11736	1.5
233.15367	10.0
243.21091	59.2
245.08177	4.3
247.16916	2.6
253.19617	7.4
261.18799	1.8
271.17029	5.2
271.20560	35.2
271.24124	4.6
289.10895	8.7
289.15070	3.8
289.18051	22.5
289.21597	100.0
289.25189	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	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03946	2.4
55.01871	2.6
55.05267	1.4
55.05517	23.1
57.03443	1.2
59.04994	2.5
60.18870	0.9
62.25650	1.1
65.03924	1.2
67.05511	20.9
69.07074	13.9
69.86715	4.7
71.04999	1.2
73.06544	1.7
77.23244	1.0
79.05497	15.1
81.07060	23.9
83.04982	2.1
83.08640	7.9
85.06570	2.6
85.38441	0.9
90.97792	0.9
91.05484	53.0
93.07043	15.3
95.04952	2.5
95.08607	12.8
97.06519	1.1
97.10187	6.5
98.21541	0.9
99.08096	1.1
103.05450	2.0
105.07038	90.1
107.08597	11.8
109.06531	1.2
109.10155	3.6
111.08024	1.3
115.07526	1.2
117.07038	12.5
119.08589	49.2
121.06499	1.0
121.10131	5.4
125.09641	4.1
126.19714	1.0
128.06111	1.2
129.07014	4.5
131.08572	21.7
133.10138	53.2
135.11691	2.5
137.86140	1.1
141.06975	1.5
143.08606	4.9
145.10132	38.7
146.10870	1.2
147.11699	44.1
149.09650	1.3
149.13281	1.8
155.08539	2.4
157.10127	4.9
159.08032	1.6
159.11691	15.6
161.13232	7.2
163.11232	1.6
169.10173	3.6
171.11711	6.8
173.13261	9.2
178.20226	1.0
183.11665	5.5
185.13269	3.2
187.11267	1.7
187.14838	2.2
197.13237	5.2
201.12776	1.6
211.14755	1.7
213.16446	1.5
215.14290	1.3
215.17978	2.8
229.16020	1.8
229.19386	1.4
233.15463	1.2
239.17958	9.1
257.19028	32.3
289.18497	3.4
289.21628	100.0
290.22015	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
52.54226	1.0
53.03942	3.7
55.01862	1.9
55.05269	1.4
55.05513	20.6
57.07084	1.3
58.61893	1.0
59.04981	2.1
65.33349	1.0
67.05506	19.6
69.03432	2.5
69.07071	14.9
69.92026	4.0
71.04980	1.1
73.06560	2.3
79.05502	20.6
79.27690	1.1
81.07059	21.6
83.05011	1.9
83.08630	8.1
85.06534	2.6
91.05485	41.6
91.58916	1.0
93.07053	18.5
95.04965	3.0
95.08050	1.6
95.08612	17.6
97.06522	2.1
97.10173	4.1
99.08076	1.4
103.05454	1.1
105.07036	68.1
107.08590	14.1
109.06524	3.4
109.10146	6.4
111.08105	1.6
115.05430	1.7
115.08281	1.1
115.68837	1.0
117.07025	13.4
119.08589	51.2
121.06521	8.3
121.10141	8.0
123.11770	1.3
125.09615	2.4
128.06177	1.4
129.06973	3.2
131.08586	19.5
133.10138	31.3
135.08058	7.5
135.11696	3.4
137.09616	1.4
141.06979	1.8
142.07875	1.1
143.08553	3.7
145.10133	26.9
147.08081	1.9
147.11693	31.1
149.09634	2.4
149.13260	1.8
155.08588	3.2
157.10161	7.0
159.08070	1.5
159.11711	19.2
161.09608	1.4
161.13278	13.8
163.11177	4.4
169.10159	3.2
171.11726	6.1
173.09622	2.2
173.13248	10.3
175.14874	2.2
177.11403	1.2
177.12738	7.1
183.11720	5.6
185.13281	1.7
187.11201	1.3
187.14809	2.2
189.12782	1.5
191.14159	1.6
197.13220	4.4
201.12744	2.4
205.15695	1.1
211.14845	2.3
215.14330	1.3
215.18016	2.4
224.08783	1.2
229.15814	2.0
229.19525	1.3
233.15369	2.1
239.18065	6.5
253.19630	1.4
257.19040	16.8
261.22021	6.2
271.20636	2.5
273.50974	1.1
289.18152	9.3
289.21609	100.0
290.21835	1.5
307.68930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1799
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
53.03950	3.6
55.01868	8.5
55.05515	50.0
57.03233	1.1
57.03440	11.7
57.07050	3.5
59.04987	3.1
67.05172	2.0
67.05508	26.4
69.03413	4.0
69.07071	10.7
70.06592	2.1
71.04994	2.9
71.31210	2.4
75.63206	1.6
76.10138	1.4
77.32910	1.5
79.05066	2.6
79.05496	32.4
81.07057	29.3
83.04976	3.8
83.08618	16.8
85.06517	3.1
88.07613	5.4
91.05483	24.4
93.07045	16.1
95.04974	3.9
95.08611	9.7
97.06525	2.7
97.10169	23.6
102.41685	1.5
103.05463	2.0
105.07053	14.9
106.08671	8.8
107.04940	6.8
107.08578	19.7
109.06490	2.7
109.10155	9.9
111.08073	3.4
115.05450	17.7
117.07021	71.8
117.63553	1.5
119.08588	25.1
121.06505	5.3
121.10146	3.5
123.04440	1.5
123.08050	2.2
125.09641	17.3
127.03886	2.8
128.06252	2.8
129.06979	8.7
131.08575	14.4
133.06511	3.4
133.10117	6.1
135.08069	13.1
141.06958	3.0
142.07782	3.6
142.87486	1.6
143.08578	17.4
145.06493	79.4
145.10107	9.2
147.08098	7.0
147.11676	2.7
149.09622	2.8
153.09074	2.8
155.08533	6.7
157.10115	14.6
159.08069	15.7
159.11655	3.7
160.08730	1.6
161.09616	3.4
161.13246	2.6
163.07515	4.5
169.10118	5.9
171.11711	3.3
173.09561	4.9
173.13223	1.5
175.11182	2.4
183.11703	4.5
185.09608	3.9
185.13313	2.4
186.88802	1.6
187.14885	2.5
189.11238	9.6
193.10048	1.9
197.13277	3.3
199.11240	1.6
199.95285	1.5
211.14864	2.7
215.14302	5.6
215.62270	1.4
225.16414	11.2
228.20212	2.4
233.15419	1.8
243.17502	7.8
253.15884	9.4
257.18896	1.9
261.18579	2.1
271.16937	100.0
289.17969	39.5
289.21567	8.7
289.24857	2.7
289.29239	3.6
294.43143	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1799
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
55.01857	1.8
55.05516	12.7
55.71393	0.8
57.07067	1.4
59.56592	0.9
65.03932	0.9
67.05515	6.5
69.07041	3.9
70.06581	1.1
71.04987	2.0
71.14539	2.0
79.05499	7.9
81.07059	9.2
83.08629	6.4
88.07597	3.2
91.05488	23.6
93.07051	7.9
95.04916	1.4
95.08628	4.1
97.10149	2.9
99.91691	1.1
103.05444	2.7
103.06142	0.8
104.06222	1.4
105.07049	7.3
106.08620	2.3
107.08583	4.4
109.06503	1.2
109.10121	2.0
111.08043	2.0
115.05415	2.0
117.07035	15.6
119.04910	3.3
119.08592	100.0
121.10194	5.2
123.08044	2.1
125.09623	1.0
127.03835	1.1
128.06244	1.4
129.07025	7.8
131.04941	1.4
131.08560	6.7
133.06512	7.2
133.10129	6.6
135.07117	1.2
135.08061	15.2
141.07010	1.6
142.07750	1.7
143.08522	3.1
144.05690	2.2
145.06451	3.0
145.10098	7.2
147.08057	44.3
147.11636	1.8
149.09622	2.1
154.07762	1.1
155.08499	1.8
157.06508	1.2
157.10112	8.9
159.08067	82.4
161.09642	7.4
163.07591	1.2
165.61560	0.9
169.10095	5.9
171.11719	2.0
173.09624	13.1
173.13167	0.9
175.07504	3.0
175.11176	1.6
183.11714	1.4
185.09590	1.6
187.11113	1.5
197.09578	1.2
197.13210	1.0
203.10681	1.0
207.11769	1.0
209.13303	1.6
211.11198	1.0
219.11755	1.1
225.12659	1.6
225.16335	2.9
235.14677	2.5
242.24638	2.1
243.17305	2.2
253.06529	0.9
253.15875	10.8
258.29132	0.9
259.14764	1.3
271.16943	27.9
274.17206	1.2
289.17914	64.8
289.29214	8.5
290.18289	0.9
290.26990	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	289.1799
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
55.01870	2.9
55.05515	11.5
55.83834	0.6
56.05029	1.1
57.03442	16.5
57.07072	1.6
58.07424	0.6
59.04993	0.7
60.67050	0.7
65.03958	0.9
67.05511	9.1
69.03413	0.7
69.07066	3.0
69.57725	1.2
69.58128	3.4
71.05009	0.8
74.06082	2.7
75.06441	0.9
79.05502	14.0
81.03423	4.4
81.07063	8.1
83.04974	2.1
83.08624	3.9
83.09040	0.7
85.06562	0.7
88.07650	8.6
89.07964	0.8
91.05487	14.9
93.07048	5.2
95.04990	3.1
95.08609	3.9
97.06554	1.5
97.10198	4.0
102.05559	0.8
103.05435	1.3
105.07040	7.2
107.04963	7.4
107.08604	5.5
109.02884	0.7
109.06550	4.2
109.10166	4.2
111.08091	1.8
115.05453	1.9
117.07023	7.3
119.04963	0.8
119.08588	12.9
121.06493	5.4
121.10170	1.5
123.04458	2.0
123.08014	0.8
125.06059	0.7
125.09636	1.9
128.06206	2.1
129.07004	2.7
131.04909	3.4
131.08606	4.9
132.05708	0.9
133.06511	3.2
133.10144	2.9
135.08075	8.7
135.11713	0.9
137.09608	1.5
141.06996	1.1
143.08595	2.2
144.05719	0.9
145.06488	5.9
145.10072	3.1
147.08057	6.7
147.11638	0.7
147.88770	0.6
149.09618	1.7
153.09174	1.1
155.08574	1.9
157.06483	0.7
157.10175	1.7
159.08069	31.3
160.08849	6.1
161.09601	4.1
163.07533	1.8
163.11230	0.8
169.10184	1.5
171.11696	2.3
172.08517	0.6
173.09605	4.7
175.07556	0.6
177.09108	2.5
185.09685	2.0
187.11194	1.1
187.14925	0.9
189.12787	1.0
193.12262	1.1
197.13289	0.7
199.11292	1.3
211.11208	1.3
215.14375	4.4
225.16461	1.2
233.15392	9.8
242.24828	1.7
243.17528	4.2
243.25269	3.1
253.15898	5.2
254.32529	0.7
261.18576	1.8
271.16968	22.1
272.27939	0.8
289.18005	100.0
289.25504	13.1
289.28998	2.4
290.18320	1.8
290.26901	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	289.1799
Annotation	Dicranenone A
Peak:m/z	Relative Intensity
53.03948	6.6
55.01880	8.8
55.05516	26.8
57.03440	26.9
57.07070	3.2
59.05005	2.3
63.22639	1.4
65.03951	4.1
67.05173	2.3
67.05512	40.3
69.03438	5.0
69.07076	15.6
69.25994	4.9
69.26418	7.4
71.04980	2.5
79.05058	2.8
79.05499	40.1
81.03413	3.5
81.07069	39.0
83.04986	41.7
83.08633	7.4
85.06537	5.9
91.05483	54.8
93.07047	36.5
95.04981	12.3
95.08611	29.1
97.00977	1.2
97.06554	4.6
97.10172	5.3
98.20625	1.7
99.04454	7.4
99.08138	1.4
102.16588	1.4
103.05525	1.6
105.07037	45.1
107.04967	28.6
107.08604	23.0
109.06541	17.6
109.10166	10.6
110.39491	1.3
111.04446	12.0
111.08076	4.0
113.05987	2.2
115.05450	3.4
117.07025	19.3
119.08588	36.9
121.06522	10.8
121.10155	14.6
123.04444	3.5
123.08092	5.8
123.11714	2.7
125.06001	8.8
125.09668	3.4
128.06239	4.1
129.07019	12.7
131.08575	27.1
132.05727	1.6
133.06487	12.3
133.10133	26.3
135.08064	15.7
135.11667	13.3
137.05977	4.9
137.09636	3.2
139.07542	1.7
141.06989	5.4
142.07841	2.1
143.08549	7.1
145.06502	7.1
145.10123	19.6
147.08047	14.8
147.11685	13.7
149.06003	6.2
149.09639	7.0
149.13298	5.1
151.07555	5.6
155.08592	5.3
157.10155	7.4
159.08069	14.5
159.11676	12.6
160.08798	2.6
161.09604	15.9
161.13278	7.4
163.07591	4.3
163.11185	6.0
163.14896	2.0
169.10165	5.5
171.11728	6.5
173.09631	7.9
173.13272	9.6
175.11201	4.3
175.14850	2.9
177.09081	2.3
177.12740	10.6
177.16423	2.0
178.13342	1.6
181.10220	1.7
183.11737	5.4
185.09668	3.0
185.13225	2.0
187.11206	6.1
187.14813	4.7
189.12825	3.0
189.16414	1.7
191.10695	2.1
197.13310	4.2
201.12708	2.2
201.16386	2.1
205.15895	4.8
215.14377	6.4
215.17998	3.3
217.12335	2.5
225.16411	3.8
229.15894	1.9
233.13286	2.5
233.15399	21.8
239.17880	3.2
243.17491	7.7
253.15849	3.3
257.18976	2.1
261.18527	18.3
271.16971	16.2
271.19974	1.8
271.24060	1.4
289.18027	100.0
289.21622	31.1
289.25266	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	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03946	0.7
55.01864	0.9
56.05035	0.5
56.96566	1.0
57.03431	0.9
59.05004	0.6
60.05633	0.5
60.83960	0.3
61.02925	1.2
64.99749	0.4
67.05516	0.6
69.03432	2.9
69.07071	0.5
70.06595	4.3
70.55418	0.7
70.55768	0.4
71.04991	0.8
72.08164	4.1
72.93800	0.4
73.02911	0.6
73.08498	0.5
74.06087	0.4
80.58042	0.3
81.03414	1.0
81.04552	0.7
84.04507	1.1
84.08154	1.9
85.02911	6.2
85.06536	0.8
86.06066	0.4
86.09704	1.0
87.04481	1.0
88.03975	0.5
94.06584	0.8
95.04936	0.4
95.06117	0.4
97.02885	2.5
97.06547	0.9
98.06019	0.5
98.97585	1.1
99.04475	0.9
107.04963	0.5
109.02873	2.5
110.04839	0.5
110.06046	0.4
110.07173	0.7
111.04437	0.7
111.05582	1.2
114.09141	0.4
116.07101	1.1
116.98632	0.7
122.06027	1.3
123.04419	0.5
124.03955	0.3
124.07577	0.5
125.07132	2.7
127.03923	100.0
128.04228	0.5
128.98674	0.6
129.10291	0.5
130.06549	1.1
131.08598	0.5
135.04460	0.4
137.05980	0.4
138.05458	0.6
143.00156	0.3
145.05019	0.7
152.07028	0.5
157.06512	0.4
157.07619	1.8
158.06013	0.8
158.53525	0.4
158.99637	0.6
159.09248	0.4
165.05547	0.3
166.03302	0.5
167.07068	0.4
175.11935	0.5
184.04282	0.6
203.08182	1.0
227.08102	0.4
229.15411	0.4
230.15668	0.6
232.06075	0.4
234.99008	0.4
237.00752	0.6
237.02834	0.4
239.13870	1.0
253.06250	0.9
257.15039	0.4
271.07257	0.7
271.16599	1.2
280.07050	0.6
289.07172	0.4
289.08829	0.5
289.11804	2.6
289.17990	0.5
289.20834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0919
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03949	0.5
55.01874	0.4
55.05505	0.2
57.03432	0.4
58.58334	0.2
61.02932	1.0
69.03439	1.8
70.06577	0.4
70.77159	0.4
71.04986	0.3
72.08158	0.5
72.86053	0.2
73.02886	0.3
73.80394	0.2
81.03428	1.0
84.04475	0.2
84.08157	0.3
85.02910	4.8
86.09674	0.4
91.03942	0.3
97.02900	1.6
99.04471	0.2
109.02885	1.0
110.83177	0.2
115.89306	0.2
121.72961	0.2
123.04455	0.3
124.07491	0.2
127.03923	100.0
128.04260	0.8
130.06522	0.7
132.04492	0.4
134.85918	0.2
145.04961	0.6
157.06483	0.2
157.07626	0.8
158.06009	0.6
197.05844	0.2
203.08272	0.4
207.24277	0.2
209.74974	0.2
215.07040	0.2
229.08684	0.2
243.07713	0.5
258.02328	0.2
271.07175	0.2
271.10681	0.2
289.12006	0.6
290.40787	0.2
302.97372	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	289.1547
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
52.81361	0.3
53.03940	0.5
55.01876	0.4
55.05502	1.3
57.03426	1.4
65.03947	0.5
67.05508	2.2
68.05020	0.3
69.03428	0.5
69.07056	1.2
69.55686	0.3
72.08125	0.4
77.03949	0.4
79.05499	3.5
80.05030	0.3
81.05766	0.4
81.07069	3.6
83.04994	0.4
83.08614	0.4
84.04497	0.8
85.02913	0.5
87.15664	0.3
91.05486	6.9
91.73279	0.3
92.06274	0.6
93.07053	2.1
94.06554	1.0
95.04991	0.9
95.08600	2.6
96.08143	1.8
97.06519	2.7
97.10141	0.7
103.05479	0.4
104.04987	0.6
105.05790	0.6
105.07021	2.1
106.06562	1.6
107.04965	0.8
107.08600	1.8
108.08118	1.2
109.06548	0.5
109.10147	1.6
116.04966	0.9
117.05759	1.4
117.07045	0.7
118.06540	5.4
119.04948	0.5
119.07294	0.7
119.08577	2.6
120.08115	13.1
121.06516	0.9
121.10161	1.3
122.09699	0.6
123.04442	0.8
123.08022	0.4
123.11691	0.5
124.07600	9.3
126.09141	0.8
127.03920	4.2
129.07047	0.5
131.08604	0.7
133.10133	1.1
134.05020	0.3
134.06029	6.5
135.06885	0.6
135.08080	1.2
135.11696	0.6
136.07584	6.3
137.06001	0.5
137.09650	0.4
138.05499	2.4
138.09119	0.7
143.00917	0.4
143.08574	0.8
145.06543	0.3
145.10139	1.4
146.05992	4.4
147.04382	0.4
147.06816	2.4
147.07976	0.5
147.11694	1.1
148.07579	9.8
149.09587	0.4
149.13361	0.5
150.09149	0.8
152.07097	0.9
159.08049	2.9
159.11670	0.8
161.09624	0.6
161.13213	0.7
163.07608	0.4
164.07074	100.0
165.07671	1.0
166.08693	3.0
171.11574	0.4
173.13326	0.5
174.18263	0.3
175.07582	0.4
175.14821	0.4
177.09171	0.5
177.34344	0.4
189.16292	0.5
191.07115	0.4
193.05042	0.3
198.09290	0.4
200.10793	0.8
202.12514	0.4
203.03409	0.8
207.96881	0.3
214.11000	0.5
215.15440	1.6
215.17810	0.4
216.10265	2.2
228.10251	0.7
229.13382	1.2
231.21164	0.4
243.14961	6.5
243.17397	0.4
245.08080	0.9
245.16512	2.0
253.13391	1.0
253.15871	0.7
254.11754	0.8
271.14420	21.9
271.16925	1.7
289.10416	1.9
289.15451	76.1
289.17990	3.9
289.24716	2.0
290.15741	1.2
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	Monodictyphenone
Peak:m/z	Relative Intensity
51.02387	0.6
53.03940	2.1
55.01883	1.4
55.05507	0.8
56.05056	0.9
57.93888	0.6
61.01153	4.4
65.03934	0.7
67.05510	2.6
68.99819	0.7
69.03431	3.1
69.07072	1.3
70.06602	2.0
70.82635	0.6
70.82999	1.0
71.05004	0.9
72.08153	1.7
79.05514	1.3
81.03422	10.0
81.07062	1.9
82.32978	0.6
83.04986	1.4
84.04507	1.6
84.08150	25.6
85.02911	3.7
85.06522	1.5
91.05507	1.2
93.03405	0.6
93.07037	1.6
95.04965	10.1
96.04501	2.2
97.02896	2.5
99.04460	1.3
103.03951	0.7
103.05476	0.7
105.03393	1.9
107.04974	3.5
107.08576	1.2
109.02905	3.0
109.06507	0.6
109.10159	1.4
111.04454	1.9
115.05499	1.7
117.07050	0.7
119.08644	0.7
120.08102	1.4
121.06547	0.9
123.04436	52.1
123.08064	0.6
124.03923	0.9
125.09635	1.1
127.03925	32.1
131.04947	1.1
132.08437	31.7
133.02841	1.7
133.10155	0.7
134.03658	2.6
135.04451	3.0
135.08069	0.8
137.02345	100.0
138.02678	0.6
139.03865	1.2
141.06995	8.6
144.05713	0.8
145.06424	1.2
147.04460	0.9
149.02371	1.9
151.03914	6.3
152.06221	0.7
153.01804	4.2
155.08484	0.7
159.08076	0.9
161.02351	2.5
163.03944	1.6
168.05666	1.1
169.06502	20.6
173.05968	0.8
178.08609	0.7
179.03412	12.3
181.06491	1.9
187.07597	0.8
197.05991	23.5
215.07039	86.7
216.07336	0.9
225.05490	9.4
229.05017	1.2
242.05644	1.2
243.06544	57.2
244.06926	0.7
244.09886	0.9
271.06018	15.2
271.10593	1.1
271.16998	1.1
289.07037	10.1
289.11841	3.4
289.15732	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	289.0707
Annotation	Monodictyphenone
Peak:m/z	Relative Intensity
53.03945	2.3
55.01859	2.4
55.05504	1.6
55.91677	0.7
57.03430	1.4
65.03966	0.8
67.05509	3.5
68.05023	0.9
68.58400	0.7
68.99791	2.1
69.03429	2.6
69.07054	1.5
70.06586	3.0
71.01371	0.8
71.54836	0.7
72.08166	6.4
73.08498	1.3
79.05504	2.2
81.03421	8.9
81.07041	1.7
82.06619	1.1
83.04987	1.5
84.04522	1.2
84.08140	2.5
85.02903	3.5
86.09702	2.5
91.05497	1.7
91.06662	0.9
93.07053	1.5
94.06596	1.2
95.04973	11.3
96.04488	4.1
96.08128	1.1
97.02904	4.9
97.06515	1.2
98.06050	1.1
99.04453	1.9
103.05495	1.6
105.03410	3.1
105.07006	1.0
107.04958	4.4
108.08125	2.3
109.02859	2.8
111.04492	1.8
115.05490	1.9
117.03353	0.9
118.06544	0.9
120.08115	9.1
121.02828	0.9
122.06032	1.1
123.04438	52.3
124.07615	2.1
126.09129	0.8
127.03931	27.6
129.10252	2.5
130.06523	2.2
130.10558	1.3
131.08640	0.9
132.04456	1.6
133.02863	3.5
134.03662	1.8
135.04391	5.3
136.07593	15.6
137.02347	100.0
138.05550	1.2
138.09192	1.1
139.03867	1.1
141.06992	8.5
143.08606	0.7
145.06441	0.9
146.06104	0.8
148.07570	3.6
149.02361	3.7
151.03908	8.1
152.07111	0.8
153.01886	5.3
157.07605	2.6
158.06035	1.1
161.02333	2.5
163.03914	1.3
164.07079	7.0
166.08627	1.1
168.05582	1.0
169.06512	19.4
173.05890	1.6
175.08763	1.1
179.03397	13.4
181.06447	1.4
186.09174	1.1
187.07433	1.0
197.04131	1.1
197.05978	24.1
210.11513	1.1
213.10262	1.5
214.11063	2.0
215.07031	88.1
215.11693	2.2
225.05408	8.5
225.13977	1.3
226.12312	1.7
227.11752	0.7
228.12538	1.4
229.05055	1.0
238.11046	0.9
242.05795	1.1
243.06552	56.9
243.14940	13.4
244.06723	0.8
253.04968	0.9
253.13206	1.1
271.06009	15.4
271.10889	2.8
271.14420	20.7
289.06998	10.8
289.11807	7.9
289.15503	9.3
289.18130	1.0
290.12411	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	289.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01871	1.6
56.90385	0.8
56.96568	5.0
57.03449	5.3
58.99857	1.2
60.05643	3.4
61.02921	3.4
69.03441	6.5
70.06599	14.2
70.99854	1.5
71.04994	2.8
71.06913	1.0
72.08154	6.5
72.23785	0.8
73.02917	3.4
74.03255	1.6
77.00910	1.6
81.03447	5.0
81.04566	6.1
82.99863	2.8
83.04997	0.9
84.04489	1.6
84.08133	3.8
85.02911	12.3
85.06550	0.8
86.03217	1.8
86.09712	1.2
87.04466	1.3
89.00921	0.9
91.05499	1.4
92.01357	1.1
94.06573	2.2
97.01410	1.7
97.02876	5.5
97.06519	1.8
98.09743	0.8
98.97590	7.6
99.04447	1.9
99.75542	0.8
101.00891	34.2
102.00977	1.3
103.02438	2.6
107.04928	0.8
109.02867	2.8
110.01295	1.2
110.97527	1.1
112.08738	1.2
113.00882	4.1
114.06678	1.3
114.10326	0.9
115.02444	17.7
115.03886	1.3
116.07092	3.9
116.98682	2.0
117.02076	1.1
117.03993	1.6
119.01936	100.0
120.02023	3.2
121.01688	1.0
121.03397	1.0
123.04414	1.2
124.99042	0.8
126.98817	1.2
127.02505	1.2
127.03918	9.4
127.05046	8.2
127.05973	1.1
128.98572	1.6
129.04001	6.1
129.10284	0.9
130.09792	0.9
131.00221	1.2
131.01910	16.3
133.03487	26.3
135.05025	2.8
137.02983	18.0
137.05966	1.1
140.02426	0.8
141.17361	0.8
142.03473	2.5
143.00179	1.2
143.01909	14.4
144.10191	1.1
144.99809	3.0
145.03473	7.0
145.04803	1.7
146.99681	1.3
147.01434	4.0
147.05122	6.4
149.02972	2.6
150.09181	1.6
151.04597	4.1
152.07149	1.1
155.01947	1.4
156.05038	0.9
157.03465	5.0
158.09294	1.3
158.99663	1.2
159.01335	1.8
159.03221	1.0
161.02977	41.4
162.03149	2.0
163.04465	0.8
165.00459	0.9
165.05458	1.7
168.99850	9.3
169.03493	2.0
171.01395	6.5
171.04961	0.9
172.95764	0.8
173.02969	11.7
174.08752	1.5
175.00870	1.3
175.03027	1.1
175.04535	4.7
175.11908	6.6
177.00781	1.4
177.02434	1.6
179.04068	1.6
179.05519	1.1
181.03575	0.8
182.03568	1.3
182.53462	1.7
184.04607	1.0
185.02927	4.8
186.04749	1.4
187.00920	22.7
187.02594	1.3
187.04535	2.3
189.00861	1.2
189.02501	12.1
191.02351	1.0
191.04004	7.7
192.05408	0.8
193.01912	0.9
196.09723	3.1
196.99335	4.7
198.55496	1.8
199.00929	7.0
199.04468	1.4
199.08255	1.0
201.00845	1.3
201.02473	4.6
203.03969	4.6
205.01958	9.0
205.03703	1.3
207.03561	4.0
207.05200	1.8
207.55522	3.9
208.05081	1.0
215.00394	30.2
215.03735	1.1
216.56000	1.6
217.01973	14.7
217.05486	1.9
219.01758	1.3
219.03528	7.2
221.05113	2.5
223.02986	1.0
229.01921	7.6
229.15448	2.2
230.15852	1.8
231.03581	2.7
233.01505	3.8
235.02972	1.0
245.01402	1.0
245.05048	1.6
247.03033	26.0
251.04459	1.5
252.05328	1.5
259.02744	1.3
265.04092	5.3
269.05420	3.3
270.05945	1.9
271.13797	0.9
277.04053	1.2
277.10196	1.1
288.06332	0.9
289.04391	7.1
289.07657	7.5
289.15070	5.0
289.18463	2.1
294.06091	1.4
307.05121	4.6
307.08759	6.3
311.06357	1.8
312.06686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
55.05502	3.7
57.07065	1.0
67.05502	8.1
69.07075	5.4
69.53493	3.1
69.53896	4.1
79.05499	7.3
81.07057	13.2
83.08609	1.7
83.14660	0.9
91.05486	13.5
93.07046	12.8
95.08617	11.3
97.20216	1.0
105.07037	27.1
107.08592	14.2
109.06503	1.3
109.10157	13.8
111.08094	1.2
117.07006	4.1
119.08588	18.4
121.10160	9.8
123.11716	5.3
129.07005	2.2
130.07834	1.2
131.08588	12.3
133.09222	1.6
133.10135	14.7
135.11688	16.5
137.09650	1.2
137.13258	1.4
142.07787	1.1
143.08554	8.0
144.09358	1.2
145.10126	20.0
147.11696	25.9
149.13286	4.8
153.12779	1.1
157.10141	9.6
159.11694	19.2
160.12485	1.0
161.13269	21.7
163.14810	1.7
169.10184	1.2
171.11687	4.5
172.80453	1.0
173.13281	9.6
175.14806	3.5
177.06766	3.5
185.13281	6.6
187.14854	8.0
189.16466	1.4
194.63115	1.1
198.14052	1.9
199.14827	17.3
200.15425	1.1
201.16373	18.3
203.17972	1.6
211.14958	1.3
213.16377	19.1
214.17081	1.1
215.17964	67.2
216.57498	1.1
223.83536	1.1
225.16406	2.1
226.17296	5.0
227.17902	5.7
229.19644	1.4
231.17294	1.7
232.99646	0.9
239.17973	5.4
240.18808	1.7
241.19513	2.4
254.20345	7.1
269.22650	99.5
287.05460	4.8
287.23691	100.0
288.23813	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2006
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
53.03941	5.5
55.01866	5.3
55.05508	18.6
57.03414	2.1
57.04536	1.7
57.07073	6.5
59.05006	2.2
63.00030	2.1
65.03934	5.4
67.05509	24.8
68.99841	1.9
69.03432	4.2
69.07074	22.4
71.04982	3.1
71.55374	2.6
72.08167	4.5
79.05495	30.1
81.03431	4.4
81.07061	49.6
83.04983	6.0
83.08634	9.0
85.02894	2.2
85.06545	3.4
89.03928	3.1
91.04962	3.0
91.05489	32.9
93.07050	59.7
93.07634	3.2
95.04968	9.7
95.08614	57.7
97.02934	2.5
97.06541	6.8
97.10175	6.0
98.97580	3.4
98.98471	3.7
103.05466	3.8
105.07040	68.1
106.81106	1.9
107.04971	5.0
107.07875	2.7
107.08601	55.2
109.06531	7.5
109.10172	33.9
111.04440	9.3
111.08076	2.1
115.05463	3.7
116.98628	3.4
117.03395	4.0
117.07050	9.7
119.04961	3.4
119.08594	55.1
121.02870	2.3
121.06538	4.2
121.10151	52.6
123.08109	5.2
123.11723	11.9
125.06031	4.7
125.09590	2.8
128.06238	2.5
129.07027	11.6
130.07846	2.3
131.08575	29.5
133.06502	3.3
133.10141	39.2
135.04408	5.5
135.08064	5.6
135.11690	22.5
137.02361	23.0
137.05989	7.8
137.09593	2.8
137.13248	2.0
139.03940	2.4
139.07555	4.6
139.11253	2.1
141.06999	4.0
142.07791	4.9
143.08563	23.2
144.09358	4.9
145.02876	5.5
145.06548	2.3
145.10123	32.3
147.04443	5.7
147.08072	4.6
147.11711	27.8
148.12428	3.4
149.06009	4.4
149.09575	9.1
149.13272	16.6
151.07530	2.3
151.11205	2.3
153.01852	3.7
153.05492	5.8
155.08481	8.7
156.09351	6.2
157.10162	21.2
158.99670	2.6
159.08080	2.5
159.11710	25.3
161.06018	2.9
161.09668	4.8
161.13274	10.5
163.03915	4.2
163.07545	3.9
163.11227	4.8
163.14827	3.2
165.09117	4.1
167.08595	2.8
169.06505	3.3
169.10094	5.1
170.10893	2.8
171.08022	3.2
171.11719	21.2
173.09624	7.8
173.13304	19.8
175.07550	3.6
175.11168	4.6
175.14839	4.6
177.00827	2.6
177.05496	10.0
177.09180	4.7
183.11726	5.1
185.09644	7.1
185.13272	20.5
187.11208	6.8
187.14835	16.5
189.12747	3.4
189.16388	10.4
191.07039	4.4
191.10632	8.6
193.12238	2.2
195.11690	3.5
197.13365	2.3
199.11157	7.0
199.14839	7.7
201.12776	3.0
201.16443	2.6
203.10735	5.9
203.14415	3.5
205.12309	4.7
209.13174	2.7
211.14919	3.0
213.12878	10.6
213.16440	3.5
217.12268	8.2
219.13864	2.4
225.16458	5.7
227.06903	2.0
227.14278	3.3
227.17941	16.4
231.13850	12.2
238.41838	1.9
241.15767	2.2
241.19525	17.2
243.21086	4.4
245.15405	5.9
245.18959	3.2
251.17963	4.1
259.06030	3.5
269.07996	2.6
269.19019	26.1
269.22623	5.6
287.05539	51.2
287.09140	23.4
287.12991	6.2
287.16745	6.1
287.20090	100.0
287.23651	18.7
288.06012	2.4
288.12299	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	287.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.01863	4.3
55.05505	5.1
56.05030	7.4
57.03424	1.8
58.06584	1.3
60.04517	3.1
63.00041	2.4
64.99731	1.7
67.05175	1.9
67.05506	27.8
68.05015	3.3
68.99800	1.3
69.03422	3.5
69.07072	9.0
70.02953	21.0
70.06597	15.0
71.04979	4.2
71.54960	2.0
71.55338	1.5
72.04491	1.4
72.08152	8.8
73.02916	2.6
73.19817	1.3
79.05487	7.5
80.05013	7.3
81.03412	2.1
81.05794	1.6
81.07060	9.3
82.02917	2.3
82.06590	6.3
82.81453	1.3
83.04991	2.9
84.04506	7.6
84.08151	11.0
85.06525	2.2
86.09699	6.0
87.05595	17.4
88.03999	6.6
88.04763	1.3
91.05481	12.2
93.07055	10.8
94.06557	3.6
95.04942	2.7
95.08607	20.1
96.04504	10.1
96.08109	3.9
97.06510	4.3
98.06060	2.8
98.09689	1.4
98.98463	2.5
99.00817	1.7
100.03981	3.1
102.05530	1.8
103.05437	2.7
105.03418	1.3
105.07034	4.1
107.04927	2.9
107.08574	6.2
108.04481	27.4
108.08087	1.5
109.05278	2.1
109.06504	1.8
109.10155	31.1
110.06049	2.7
110.09799	1.5
112.07622	1.3
114.05521	1.5
116.07091	3.8
117.06987	2.7
118.06512	2.2
119.08582	8.8
120.08070	1.7
121.02854	3.3
122.06034	8.1
123.04442	2.7
123.06331	1.6
124.03960	1.3
124.07603	9.0
125.05989	3.1
125.09665	1.6
126.05495	4.0
127.08652	1.4
128.06195	1.8
129.10210	1.7
130.04968	1.6
131.04912	1.4
132.95853	1.3
134.05945	1.5
134.09660	1.6
135.08061	5.8
136.07584	7.9
136.11220	17.2
137.02402	2.9
137.05963	3.3
137.08002	1.4
137.09624	26.7
138.12784	1.8
140.07045	3.0
143.08569	1.3
146.06046	8.3
147.04410	2.4
147.06789	1.3
147.07964	1.6
148.07529	4.3
149.02328	4.8
152.14317	1.6
153.01820	6.3
153.05493	2.8
153.06747	1.5
154.04990	2.9
154.12280	15.6
157.06451	2.0
160.11226	1.3
162.12753	4.0
163.03865	2.6
163.07535	1.8
164.10695	13.4
166.08638	2.0
166.12268	8.0
167.07027	2.0
169.14165	2.0
172.11021	1.3
172.13339	23.0
173.11742	7.8
177.05452	2.2
178.12300	17.5
180.13829	32.3
181.06511	2.1
182.11787	9.7
183.08301	3.9
183.11154	1.2
184.13351	7.2
185.05901	1.6
186.09105	1.9
188.10704	7.9
197.05879	1.2
198.08009	1.4
198.14880	4.4
206.11771	75.5
208.13339	2.1
210.11276	10.1
213.05421	4.7
213.10175	2.0
214.12183	1.6
223.14410	7.4
224.12816	66.8
226.14279	1.9
227.07030	2.4
227.13971	1.5
228.12302	6.3
231.06577	4.2
241.04930	2.9
241.08720	1.4
241.10016	1.1
241.13020	1.5
241.15485	25.2
242.11638	2.5
242.13884	18.3
243.17078	3.8
251.13913	1.7
252.12277	7.3
258.05222	1.4
259.05984	3.6
269.04678	2.8
269.12628	1.7
269.15201	2.9
270.13422	2.7
287.05490	48.4
287.10184	21.3
287.16034	100.0
288.12259	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	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03929	0.1
53.87687	0.1
55.05518	0.1
56.31120	0.1
67.01871	1.6
67.05493	0.1
68.65585	0.1
68.99792	1.4
69.03417	0.3
69.07083	0.2
70.70338	0.2
70.70655	0.1
71.01339	0.1
73.02943	0.1
79.05503	0.4
80.18348	0.1
81.03431	0.2
81.07045	0.4
83.04964	0.3
83.58333	0.1
85.02894	0.1
89.03911	0.7
91.05460	0.1
93.07048	0.3
95.04984	0.3
95.08586	0.3
97.02912	0.2
97.06509	0.1
103.05486	0.1
105.07027	0.2
107.04952	0.4
107.08588	0.3
109.02876	0.1
109.10172	0.2
111.00778	0.2
111.04453	0.3
115.05455	0.1
117.03391	0.8
117.07014	0.2
119.08570	0.2
121.02856	0.3
121.10137	0.3
127.03910	0.1
129.01859	0.3
129.07019	0.1
133.10129	0.2
135.04430	4.7
135.11671	0.1
137.02365	1.5
137.05977	0.2
139.05499	0.1
141.01797	0.1
145.06561	0.1
147.04382	0.2
147.11702	0.2
153.01840	11.6
155.04950	0.1
157.06520	0.3
157.10133	0.1
159.11670	0.1
161.02330	1.2
161.05969	0.1
165.01891	0.2
171.02890	0.9
171.04405	0.2
171.11636	0.1
173.13268	0.2
179.03435	0.6
182.71034	0.1
183.02986	0.1
185.06010	0.3
189.05511	0.2
199.03917	0.1
201.16354	0.1
203.03514	0.2
213.05457	0.6
213.13998	0.1
218.05806	0.1
219.06586	0.1
227.03452	0.1
231.06525	0.2
241.04982	1.2
245.04391	0.2
258.05225	0.2
259.06055	0.3
263.05673	0.1
269.04456	0.8
269.07468	0.1
269.07922	0.1
269.22620	0.2
277.45395	0.1
286.04834	0.1
287.05511	100.0
287.23517	0.5
288.05856	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0916
Annotation	Calythropsin
Peak:m/z	Relative Intensity
51.22984	0.7
53.03948	1.3
55.01861	1.4
55.05507	1.4
63.48945	0.6
65.03931	1.5
67.05498	2.4
68.99797	4.4
69.03436	1.0
69.07068	2.8
70.06596	0.8
70.16950	2.9
72.08147	0.7
79.05490	3.8
81.03412	0.9
81.07082	3.9
83.04976	1.0
89.03934	2.4
91.05493	7.9
93.07018	3.5
95.04971	3.1
95.08630	3.3
97.06535	1.5
102.12716	0.7
105.07056	3.3
107.04968	37.7
107.08601	3.6
109.06534	0.8
109.10131	2.9
111.04440	1.1
115.05464	0.8
117.03381	8.2
117.06998	1.4
119.04934	4.6
119.08582	3.4
121.02866	1.1
121.06502	1.2
121.10144	2.7
122.03632	0.9
123.04489	1.4
123.11722	0.8
128.06262	1.8
129.06992	2.0
131.04959	1.4
131.08578	2.5
133.02850	2.4
133.10118	2.2
134.03668	1.2
135.04431	46.9
135.11725	1.5
137.02356	1.4
137.05994	5.3
141.06972	1.4
143.08577	1.5
145.06538	1.2
145.10124	2.5
147.04425	3.5
147.08064	0.9
147.11699	1.8
149.06001	20.3
149.09692	0.9
150.03033	1.0
151.04030	0.8
152.06223	2.2
153.01866	2.5
153.05714	1.1
153.07001	5.3
157.06500	2.6
157.10141	2.1
159.08087	1.3
159.11716	1.6
161.05983	1.5
161.13232	1.0
162.30244	0.8
163.03918	100.0
165.05490	2.1
169.06468	1.8
171.08052	1.5
171.11664	1.1
173.13307	1.5
174.05646	0.7
175.07584	2.7
175.14819	0.8
177.05489	3.2
181.05046	1.6
181.06487	9.8
184.05211	1.3
185.05980	2.3
185.13234	1.1
186.06778	1.0
187.03970	0.8
187.14735	0.8
191.07031	1.9
191.10687	1.1
193.04971	4.7
197.06003	1.3
198.06778	2.5
199.07588	4.7
201.16473	1.4
209.06020	6.9
210.06772	1.0
213.05356	1.0
213.09096	0.9
226.06331	4.0
227.07069	8.1
227.17995	0.8
237.05423	6.6
238.06374	2.2
241.08577	6.5
254.05771	3.0
255.06555	5.9
257.04654	1.2
259.09686	29.6
269.08118	24.5
269.12582	1.0
269.19009	1.3
269.22705	1.7
272.06876	1.3
287.05533	22.7
287.09137	19.6
287.13196	2.8
287.16522	1.9
287.20062	3.8
287.23642	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	287.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20292	0.4
53.00298	0.5
53.03943	1.0
55.01863	0.8
55.05506	1.3
57.03438	0.4
57.07069	0.8
60.86170	0.3
65.03941	1.4
67.01876	0.5
67.05514	2.5
68.99778	1.1
69.03416	0.9
69.07073	2.5
70.06592	0.8
71.04988	0.7
71.55096	0.3
71.55463	0.5
72.08172	0.8
79.05501	7.1
81.03400	0.6
81.07069	7.3
81.53815	0.4
83.04979	1.2
83.08614	1.1
85.06548	0.6
86.09750	0.4
90.18182	0.4
91.05466	3.3
93.07050	4.2
94.04183	1.1
95.04966	1.5
95.08611	3.7
97.02937	1.0
97.06535	4.7
98.98433	0.4
103.05481	1.1
105.07041	4.5
107.04953	0.9
107.08598	3.8
109.06525	11.7
109.07261	0.8
109.10164	3.0
111.04441	1.4
113.06049	0.4
117.03389	0.4
117.07024	1.1
119.08597	5.0
121.02875	1.4
121.06506	0.9
121.10139	3.0
123.04393	0.8
123.11755	0.9
125.05983	0.5
128.06180	0.6
129.07025	0.7
131.04883	0.9
131.08606	2.3
133.02850	0.5
133.06458	0.7
133.10141	2.9
135.04399	1.1
135.08060	0.6
135.11707	1.0
136.07590	1.2
137.05986	100.0
139.03911	21.0
139.05034	0.4
143.08562	1.6
145.02826	0.4
145.06538	0.7
145.10112	2.8
146.03539	0.5
147.04413	0.8
147.08052	0.6
147.11725	2.0
149.05994	1.8
149.09612	0.9
149.13264	1.1
151.03894	0.5
153.01875	2.7
153.05464	1.2
153.06981	0.7
155.08583	0.4
156.09377	0.5
157.10075	1.9
158.09608	0.4
159.11726	2.0
161.06001	7.6
161.09586	0.5
161.13268	1.4
162.06729	1.0
163.03925	3.9
163.14761	0.4
164.07095	0.9
165.01854	0.5
167.08611	0.4
171.08084	0.8
171.11702	1.0
173.13286	1.2
175.07613	0.5
175.11201	0.4
175.14854	1.1
176.04720	0.4
177.05482	0.9
177.12701	0.5
177.16345	0.4
179.03418	1.4
181.06519	1.2
183.87068	0.4
185.13254	1.2
187.14848	0.9
189.12843	0.5
189.16435	0.6
191.07063	7.1
191.10732	0.5
195.08067	0.6
198.06808	0.4
199.07483	0.7
199.14726	0.6
201.16379	2.1
209.02502	0.4
209.05952	0.7
213.09105	1.1
213.16368	1.1
226.06189	0.6
227.07019	0.5
227.11595	0.5
227.18022	0.6
241.04996	0.7
241.08669	1.3
241.19556	0.5
255.06464	1.3
259.09619	1.2
265.76328	0.4
269.08185	1.7
269.22757	2.3
272.06860	0.7
287.05533	25.9
287.09149	8.3
287.12943	6.6
287.16608	2.0
287.20102	3.2
287.23712	7.3
288.05746	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01865	0.3
55.05503	0.3
65.03925	0.2
66.33459	0.1
67.01856	0.4
67.05499	0.5
68.99799	2.0
69.03425	0.2
69.07058	0.2
70.90296	0.1
70.90633	0.3
72.08137	0.2
77.03902	0.1
79.05501	0.9
81.03426	0.4
81.07043	0.6
83.04970	0.2
86.09705	0.1
87.24798	0.1
91.05466	0.5
93.07053	0.6
95.04972	0.4
95.08601	0.6
97.02885	0.2
103.05464	0.3
105.03399	0.9
105.07016	0.5
107.04978	1.0
107.08585	0.5
109.02898	0.7
109.06534	0.1
109.10147	0.4
111.00814	1.4
111.04428	0.3
115.05456	0.3
117.06998	0.3
119.08609	0.6
121.02872	6.4
121.03880	0.2
121.06557	0.2
121.10145	0.5
123.04443	0.1
123.11711	0.2
124.07554	0.1
127.03903	0.2
128.06262	0.1
129.06995	0.6
131.08542	0.3
133.02847	0.7
133.10103	0.4
135.04434	0.6
135.11729	0.1
136.07591	0.2
137.02347	2.2
137.05898	0.2
139.05412	0.1
141.06975	0.3
145.06477	0.5
145.10080	0.4
146.25032	0.1
147.04419	1.4
147.11696	0.2
149.13217	0.2
153.01833	10.3
157.06490	1.5
159.11697	0.3
161.02310	0.2
161.05972	0.3
161.13257	0.2
162.05573	0.2
163.85951	0.1
164.06996	0.3
165.01851	3.7
171.02914	0.2
171.04420	0.7
173.13231	0.2
175.03946	0.1
175.07584	0.2
175.14859	0.2
177.05397	0.2
177.12787	0.1
181.06500	0.2
183.02892	1.5
185.05988	1.0
185.13304	0.2
189.05447	0.2
196.05251	0.1
197.05962	0.4
198.06758	0.2
203.03300	0.1
203.07002	0.3
211.07552	0.3
213.05467	2.8
213.16420	0.2
216.04272	0.1
217.04938	0.2
226.06245	0.3
229.04974	0.4
229.08582	0.2
231.06522	1.4
239.06998	0.4
241.04942	1.6
241.08655	0.4
243.06470	0.2
257.08130	0.3
258.05280	2.3
259.05978	0.9
269.04434	0.3
269.08145	0.4
269.22653	0.2
287.05502	100.0
287.23557	1.2
288.05801	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03946	0.1
55.01867	0.3
55.05512	0.8
57.07068	0.1
59.62066	0.1
65.03929	0.6
67.01870	1.3
67.05511	1.3
68.99799	1.9
69.03433	0.4
69.07068	1.1
69.34643	0.7
69.35040	0.5
70.06574	0.2
71.04990	0.3
72.08153	0.5
79.05505	1.8
81.03402	0.6
81.07063	2.5
82.03729	0.2
83.04987	0.2
83.08620	0.5
84.08165	0.3
85.02908	0.3
85.06545	0.2
86.09723	0.2
89.03903	0.5
89.76785	0.2
91.05482	1.3
91.71024	0.1
93.07056	1.9
95.04980	0.9
95.08600	2.0
97.02878	0.4
97.06525	0.4
98.21465	0.3
98.98495	0.1
103.05470	0.3
105.03391	0.5
105.07041	1.9
107.04956	1.1
107.08599	1.7
109.02880	0.6
109.03623	0.2
109.06507	0.3
109.10165	1.4
111.00784	0.7
111.04484	0.4
111.08121	0.2
115.05508	0.2
117.03383	0.5
117.07010	0.4
119.08591	1.7
120.04492	0.2
120.08105	0.3
121.02888	3.5
121.06523	0.5
121.08444	0.3
121.10142	1.4
122.03167	0.7
122.05988	0.2
123.04408	0.3
123.08086	0.3
123.11699	0.4
124.03960	0.2
125.02380	0.2
125.05980	0.4
127.03918	0.3
128.06206	0.2
129.01956	0.1
129.07014	0.5
131.04939	0.3
131.08539	0.7
133.02843	0.5
133.06439	0.1
133.10143	1.1
135.04431	3.0
135.08067	0.3
135.11664	0.7
136.07561	0.5
137.02348	1.8
137.06004	1.4
137.09625	0.4
138.03148	0.7
139.03876	0.2
141.06999	0.4
143.08577	0.5
145.06514	0.4
145.10155	0.9
147.04411	1.0
147.08031	0.2
147.11699	0.7
149.02301	0.2
149.09604	0.4
149.13298	0.3
153.01840	11.5
153.05458	3.7
153.06810	0.2
157.06529	0.7
157.10161	0.6
158.10905	0.2
159.11714	1.0
161.02325	1.1
161.06033	0.2
161.09654	0.2
161.13246	0.7
163.03873	0.4
163.11127	0.2
163.14795	0.2
164.07050	0.1
165.01857	1.3
167.08734	0.2
171.02878	1.0
171.04416	0.4
171.07925	0.2
171.11679	0.5
173.13281	0.8
175.03920	0.2
175.11115	0.3
175.14828	0.4
177.05537	0.3
177.12883	0.2
179.03363	0.4
183.02878	0.7
185.05969	0.7
185.09668	0.2
185.13278	0.5
187.14845	0.3
189.05434	0.2
189.12857	0.2
189.16441	0.4
192.66377	0.1
195.04581	0.1
197.06026	0.2
199.04030	0.2
199.14838	0.4
201.05540	0.2
201.16399	0.4
203.03444	0.3
203.07076	0.3
203.17870	0.1
212.04793	0.2
213.05467	1.8
213.16402	0.5
215.07112	0.1
216.04181	0.2
219.06651	0.4
226.06255	0.1
227.18018	0.2
231.06471	0.8
241.04962	1.9
241.08762	0.3
245.04430	0.2
245.13037	0.2
255.06367	0.3
258.05234	0.9
259.05981	0.5
259.09583	0.3
269.04446	0.8
269.08664	0.2
269.12723	0.3
269.22653	1.4
272.06015	0.2
287.05511	100.0
287.23627	3.9
288.05829	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03944	0.1
67.01592	0.1
67.01877	1.8
67.05505	0.3
68.99790	1.8
69.07039	0.1
70.06597	0.2
71.00446	0.4
79.05486	0.5
81.03409	0.2
81.07063	0.2
89.03919	0.7
91.05499	0.2
93.03389	0.2
95.08599	0.3
97.02853	0.2
105.07056	0.2
107.04940	0.6
108.88711	0.1
111.00864	0.2
111.04463	0.3
117.03390	0.5
119.08606	0.2
119.12567	0.2
121.02806	0.3
122.21917	0.1
122.29203	0.2
125.02385	0.2
125.06032	0.3
127.03928	0.2
128.26912	0.2
129.01808	0.4
132.85042	0.1
135.04419	4.9
137.02344	1.4
137.03311	0.2
137.05951	0.2
140.53984	0.1
151.03940	0.2
152.18849	0.1
153.01840	11.9
153.05379	0.3
157.06494	0.2
161.02344	1.6
163.03943	0.3
167.04900	0.2
171.02834	1.1
179.03389	0.6
185.05981	0.5
199.03831	0.2
203.03497	0.3
213.05429	0.6
219.06548	0.3
231.06645	0.2
241.04959	1.6
241.08617	0.2
245.04477	0.2
258.05313	0.2
259.05997	0.3
263.05566	0.2
269.04453	0.8
269.08258	0.2
269.22607	0.2
287.05505	100.0
288.05853	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.01870	0.2
55.05503	0.1
57.27224	0.1
65.03935	0.2
67.01874	0.7
67.05497	0.3
68.99438	0.2
68.99793	2.1
69.03439	0.3
69.07055	0.3
69.50595	0.3
69.51022	0.5
71.01334	0.2
71.04984	0.2
79.05489	0.7
81.03410	0.3
81.07063	0.6
81.17587	0.1
83.04967	0.1
85.02926	0.2
89.03892	0.1
91.05471	0.3
93.07033	0.4
95.04963	0.5
95.08605	0.3
97.02889	0.2
97.06515	0.2
100.51574	0.1
103.05453	0.3
105.03381	0.6
105.07012	0.4
107.04957	1.1
107.08601	0.3
109.02868	0.7
109.10159	0.2
111.00816	1.2
111.04424	0.2
115.05551	0.1
117.03370	0.3
117.07027	0.2
119.04970	0.2
119.08601	0.2
121.02869	4.8
121.03880	0.2
121.04052	0.2
121.06499	0.2
121.10164	0.3
123.04440	0.2
124.03959	0.3
125.04264	0.2
127.03886	0.3
128.06215	0.3
129.06998	0.4
131.04996	0.1
131.08580	0.2
133.02844	0.7
133.10135	0.2
135.04427	1.7
135.11656	0.2
136.07582	0.2
137.02336	2.2
137.06001	0.1
137.09645	0.3
141.06976	0.2
145.06482	0.4
147.04395	0.9
147.11682	0.2
149.02420	0.2
149.05913	0.1
149.13316	0.1
153.01830	10.6
153.05437	0.4
157.06511	1.0
157.10146	0.2
159.11673	0.2
161.02400	0.5
161.05945	0.4
161.13239	0.2
163.03891	0.4
164.07004	0.2
165.01843	2.8
169.06473	0.2
171.02994	0.2
171.04446	0.6
173.13248	0.2
175.07591	0.1
179.03598	0.1
183.02898	1.1
184.05193	0.1
185.05949	1.0
189.05443	0.3
195.04482	0.1
197.05949	0.4
199.03865	0.2
199.07549	0.1
199.14807	0.1
201.05670	0.1
203.06979	0.2
212.04588	0.2
213.05487	2.2
217.04958	0.1
227.06914	0.1
229.05014	0.5
231.06497	1.0
241.04947	1.7
258.05270	1.5
259.06033	0.8
259.09940	0.1
269.04428	0.6
269.07773	0.1
269.12787	0.3
269.22638	0.1
269.26083	0.1
287.05493	100.0
287.23514	0.6
288.05859	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.05513	2.1
56.74269	0.6
57.03436	1.1
59.05003	2.0
61.02935	5.0
61.58035	0.5
64.99509	0.5
68.05044	1.0
70.06597	3.1
70.56734	0.6
70.57060	1.3
71.04993	5.6
72.08167	0.8
79.05490	1.7
81.04552	1.1
81.07063	12.4
82.05340	1.7
83.06111	10.9
87.08079	0.8
92.12257	0.5
93.04530	6.6
95.06098	15.3
99.08076	0.7
107.06081	2.0
110.07171	100.0
111.05569	1.7
112.07623	2.8
112.08755	2.9
120.06866	0.7
121.07637	2.6
124.03967	3.5
136.08670	0.7
139.05087	0.5
140.07059	1.5
146.09627	0.6
156.06413	0.9
156.07690	13.6
163.12312	55.6
166.06110	2.0
190.13412	8.5
193.13377	1.3
208.14467	12.7
210.16115	0.8
212.15216	0.6
219.11288	2.5
236.13934	8.7
240.17061	7.5
242.18597	0.8
254.15010	21.7
268.16180	0.6
286.17618	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80695	0.5
69.90577	2.2
93.40020	0.5
98.21490	0.7
98.97588	1.7
101.00908	3.1
102.00973	0.6
103.00650	1.1
116.98631	1.1
119.01147	0.9
119.01936	11.3
120.02013	2.4
120.91483	0.5
120.97958	0.6
121.01684	6.0
128.18954	0.5
134.99808	1.5
137.02971	2.6
137.05397	0.5
138.03120	1.1
139.02710	0.9
142.03574	0.9
158.99934	0.5
161.02945	0.8
161.99715	0.8
172.94366	0.6
176.00197	0.9
177.00987	12.7
177.02580	0.6
178.01077	1.5
179.00714	11.2
180.00815	9.4
182.03737	0.7
190.95432	1.6
199.04485	1.0
200.04727	1.2
203.00699	0.8
204.00873	0.7
214.29533	0.5
216.98648	0.6
218.01273	7.5
219.02052	10.2
219.03902	0.9
220.02032	1.5
220.04010	2.3
221.01810	12.0
222.01926	17.5
227.00713	0.9
227.98817	0.8
228.00758	2.4
232.96486	0.9
234.99760	0.6
240.98190	2.3
245.01688	3.5
245.99477	0.7
246.01909	9.1
250.00307	1.3
250.97484	0.6
261.03156	1.0
262.03201	2.1
263.00125	0.7
263.02881	43.1
264.00461	22.5
264.03067	100.0
265.02982	2.3
269.03668	0.6
274.92969	0.5
278.04596	1.5
279.12628	0.8
281.00662	1.1
281.98233	0.8
282.01617	7.7
286.04584	1.3
286.99527	3.1
287.02167	1.1
287.04727	3.6
304.97101	1.1
305.00684	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	286.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
53.22541	0.4
55.05516	0.6
56.05028	0.8
58.24500	0.4
65.72965	0.5
67.05508	3.4
69.07068	1.5
70.02984	0.7
70.06599	8.4
71.53832	0.5
72.08147	2.0
74.16555	0.6
79.05498	2.6
80.05014	1.9
81.03415	0.7
81.07080	2.6
82.06555	0.6
84.04510	1.2
84.08149	1.6
85.04018	0.5
86.00668	0.5
86.09708	3.3
87.04475	0.9
91.05483	7.2
93.05788	2.0
93.07047	8.4
94.06571	26.1
95.04971	2.2
95.08638	0.7
95.65415	0.5
96.04486	0.7
96.08133	2.2
97.02901	0.5
97.06553	2.5
100.07628	0.4
103.05486	0.5
105.04517	0.6
105.07038	1.3
107.04941	0.6
108.04489	0.6
108.08122	22.7
109.06503	0.5
110.06031	1.3
110.07188	1.2
110.09695	0.8
111.18977	0.5
112.07593	1.3
116.07093	2.6
118.06555	1.9
119.04966	1.0
119.08595	0.8
120.08107	1.8
121.06506	1.8
122.06036	86.1
124.03947	6.3
124.07586	1.5
127.08680	1.2
128.07092	0.6
129.10199	0.7
130.06543	0.8
136.07582	41.5
137.06009	0.7
138.09158	3.0
139.07564	1.0
140.07080	4.0
140.10649	0.8
147.04453	0.7
147.08063	0.6
154.08641	16.9
156.07758	0.6
164.07074	15.5
165.05489	0.9
165.09134	0.5
166.12306	1.0
168.13824	4.3
182.08138	100.0
183.05887	0.7
183.08311	0.5
185.09219	0.5
200.09221	2.0
226.07123	3.5
236.16409	0.6
250.07045	0.5
254.17470	1.9
268.08163	2.0
268.11563	0.4
268.19168	1.6
269.05859	0.6
286.09195	16.5
286.12213	1.1
286.20071	4.8
287.05603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
55.05504	19.0
57.03433	5.5
57.07072	8.9
67.05505	28.4
69.06727	6.4
69.07072	61.1
71.04998	6.2
71.08632	7.4
71.39471	6.2
71.57173	7.3
79.05492	16.0
81.03419	6.3
81.07067	58.6
83.08611	11.5
84.58569	4.9
91.05476	31.3
93.07048	43.7
95.04951	14.9
95.08609	60.5
97.06516	15.6
97.10197	6.3
105.07045	69.3
107.08582	46.6
109.06512	19.9
109.10164	29.7
111.08086	12.5
117.07007	15.4
119.08586	100.0
121.06490	14.9
121.10129	34.3
123.08107	6.0
123.11722	26.3
129.07014	7.6
131.08571	28.4
133.10156	51.7
135.08073	12.6
135.11690	23.3
143.08563	11.7
145.10146	30.9
146.07245	10.1
147.11674	38.6
149.13286	7.5
155.08565	6.8
157.10109	13.8
159.11763	26.6
161.09647	80.8
161.13222	9.3
165.12785	12.5
169.10156	8.1
171.11728	14.8
173.13232	13.4
175.11214	8.1
175.14844	57.6
177.16377	15.3
183.11745	8.3
185.13266	13.2
193.15881	13.3
197.13264	18.6
199.14815	6.8
211.14833	11.7
225.16238	7.9
231.28639	5.0
249.38156	5.2
267.21124	22.8
285.07504	7.8
285.16956	6.8
285.22144	68.3
285.25424	10.7
285.30035	7.6
285.33466	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	286.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30639	0.8
53.49412	0.7
55.01884	1.5
56.05026	0.9
56.96575	0.8
57.03435	0.8
58.66794	0.8
58.99586	2.4
67.05518	1.0
69.03456	1.1
69.07074	1.6
70.06597	19.6
70.64423	0.8
71.33863	1.2
72.08170	3.9
73.02934	1.0
76.02233	5.8
77.44969	0.7
80.05029	1.6
81.07068	0.9
82.06577	0.9
84.04523	2.2
84.08158	5.9
85.02907	2.5
86.09708	5.6
86.99046	1.6
91.05487	2.7
93.07044	2.5
94.06573	5.3
95.04982	17.4
96.04504	0.7
97.02911	0.9
98.06013	1.4
98.97612	1.2
99.42060	0.7
103.05518	1.1
105.00134	2.0
106.02937	1.1
107.04963	1.5
108.08121	5.1
110.06096	1.5
110.07165	5.1
112.07581	1.4
112.08705	0.8
113.53581	0.8
114.05515	1.1
115.67397	0.8
116.07095	1.7
119.07352	1.2
121.06538	1.2
121.10167	0.7
122.02744	21.7
122.06048	17.5
123.04437	100.0
124.03959	19.1
124.04815	1.4
124.07642	1.2
130.04994	1.1
136.07581	8.7
136.08601	1.6
137.06049	0.9
138.05513	1.2
138.09106	1.3
140.07071	1.8
141.10246	1.3
142.08798	0.9
154.08629	4.1
163.12344	1.7
164.07056	4.5
165.05489	36.8
165.07568	1.5
169.03168	1.5
181.22421	0.9
182.08130	19.4
183.11203	1.2
183.14969	3.0
185.09233	3.1
189.12350	1.0
194.12967	1.6
195.08168	1.0
211.14409	0.9
215.13980	0.8
223.07578	2.6
240.10257	2.4
240.13594	2.3
254.35019	0.8
268.09784	1.2
286.09470	6.9
286.17725	2.2
287.10983	1.0
292.13589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01875	1.6
55.05514	18.6
57.03437	21.1
57.07070	2.3
62.22669	1.4
63.00048	1.8
63.23578	1.4
67.05507	32.2
69.07071	19.1
71.04987	5.2
71.30420	2.6
76.17008	1.5
79.05494	16.6
81.07061	100.0
83.04971	7.3
83.08633	10.9
85.06554	7.1
91.05484	23.6
93.07054	14.7
95.05013	2.8
95.08611	27.3
97.06506	7.5
97.10172	1.5
99.08107	4.0
104.70202	1.2
105.07040	38.4
107.08599	13.5
109.06532	6.1
109.10175	4.2
111.08096	1.8
113.06015	1.9
118.98450	1.5
119.08600	30.0
119.09440	1.7
121.10150	21.7
123.08089	4.1
123.11716	30.5
127.07568	3.3
131.08603	2.0
133.10106	6.6
137.13306	2.6
141.09088	3.2
145.10126	3.4
147.11699	76.6
148.12030	1.6
157.10181	3.7
159.11707	3.2
161.13272	2.0
165.12769	37.1
175.11221	2.4
183.13823	4.0
193.12233	3.9
229.14352	5.6
229.19446	2.3
241.17883	1.4
267.15811	2.9
285.07611	2.1
285.16962	43.8
285.21960	2.4
285.25748	7.8
285.29727	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01884	1.0
55.05512	17.4
57.03436	20.8
57.07077	2.6
57.22543	1.0
59.58850	0.9
65.03945	2.8
67.05506	34.8
69.03412	1.5
69.07073	18.3
69.66731	6.0
71.04993	6.4
77.15064	0.9
79.05492	21.5
81.07060	100.0
83.04996	5.1
83.08623	10.7
85.06551	6.6
87.40196	0.9
88.74672	1.1
91.05485	28.3
93.07056	14.7
95.04972	3.5
95.08047	1.9
95.08609	21.7
97.06531	7.4
97.10169	1.4
99.08094	6.2
100.22280	1.1
101.06012	1.2
105.07033	38.1
107.08578	13.4
109.06515	7.1
109.10154	2.5
111.08125	2.3
117.07061	1.8
119.08579	30.3
121.10151	22.4
123.08076	6.3
123.11720	31.6
125.09644	1.2
127.07545	3.7
129.07045	3.0
131.08591	3.2
133.10153	3.0
137.13219	3.1
141.09206	1.7
143.08496	1.4
145.10136	2.0
147.11693	85.5
157.10181	4.5
159.08070	2.0
159.11685	1.6
161.09604	1.2
161.89397	1.1
165.12762	38.4
175.11200	2.8
183.11734	1.1
183.13840	3.6
193.12247	2.6
229.12341	1.3
229.14426	4.5
243.17590	1.0
255.11778	2.8
267.15720	2.8
270.13998	3.2
285.16983	35.9
285.22101	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	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01863	1.5
55.05513	15.7
57.03439	20.2
57.07056	3.2
59.05001	1.2
65.03924	2.0
67.05508	34.9
69.07067	20.5
71.04986	5.7
71.08606	1.1
71.56749	1.3
71.65690	1.1
73.06530	1.4
79.05071	1.3
79.05492	19.6
81.07059	100.0
83.04988	7.5
83.08622	11.9
85.06543	7.4
87.04467	1.2
91.05484	26.2
93.07045	15.3
95.04971	2.4
95.08056	1.5
95.08611	20.3
97.06516	7.6
97.65547	1.0
98.98457	1.2
99.08083	4.5
101.05999	1.4
105.07032	36.3
107.08590	13.2
109.06508	8.0
109.10153	2.4
111.08064	2.5
113.06029	1.3
117.07030	1.2
119.07800	2.0
119.08590	27.8
121.10146	21.8
123.08072	4.7
123.11711	29.8
127.07536	3.9
129.07021	2.8
131.08575	3.5
133.10121	4.6
135.11684	1.2
137.13281	1.7
141.09081	2.1
143.08560	1.3
145.10115	5.4
147.11690	78.3
155.08408	1.8
157.10097	4.6
159.08022	1.3
161.13264	1.2
165.11401	2.1
165.12756	36.4
168.42195	1.0
170.09001	1.2
171.01382	3.0
173.03531	1.1
173.09621	1.2
175.11176	3.7
183.13780	3.2
193.12234	3.2
229.14325	5.0
230.81004	1.0
267.15900	5.8
267.20813	1.3
284.95807	1.4
285.07632	2.8
285.16931	42.0
285.22116	4.5
285.25269	1.7
285.29828	1.1
285.33411	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35617	1.2
50.71284	1.0
51.73665	1.2
53.03933	1.6
55.01865	2.1
55.05511	15.5
57.03445	18.7
57.07069	2.5
59.04985	1.4
65.03911	1.6
67.05509	34.5
69.06723	1.8
69.07073	23.2
71.04970	5.3
71.08628	1.9
71.56271	1.4
78.44134	1.1
79.05500	19.7
81.03413	2.1
81.07061	100.0
83.04987	9.3
83.08621	10.1
85.06545	6.1
87.04453	1.3
91.04971	1.7
91.05489	26.2
93.07050	13.6
95.04958	3.7
95.08616	22.4
97.06527	9.0
99.08067	5.6
105.07033	36.5
107.08604	12.4
109.06487	5.1
109.10136	2.7
111.08073	1.5
113.06023	1.4
119.08587	30.1
121.09341	1.4
121.10155	24.4
123.08053	4.8
123.11719	31.3
127.07520	2.9
128.06210	1.1
129.07004	1.9
131.08560	1.7
133.10098	3.7
137.13208	3.6
141.09001	1.7
145.10118	3.0
147.11693	76.3
157.10078	4.9
159.95061	1.1
163.07465	1.2
165.12759	39.9
175.11177	4.0
183.13780	4.7
193.12250	3.3
202.69943	1.3
229.14279	5.5
267.15869	4.4
285.07486	3.2
285.16891	40.8
285.22034	3.6
285.25601	1.6
285.29416	1.5
285.33258	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.01871	1.7
55.05515	15.4
57.03441	18.7
65.03935	1.5
67.05509	32.9
69.07069	17.3
69.31379	7.4
69.31805	2.7
71.04995	5.6
79.05499	21.2
81.07063	100.0
83.04974	7.3
83.08624	11.5
85.02879	1.4
85.06519	5.4
91.05484	24.5
93.07043	11.7
95.04977	3.6
95.08613	19.9
97.06521	7.5
99.08080	4.1
105.07037	35.9
107.08617	13.3
109.06556	6.2
109.10140	2.1
111.08099	1.4
113.06007	2.0
119.08585	30.6
121.09332	1.4
121.10152	18.7
123.08036	3.8
123.10829	1.8
123.11710	30.6
127.07531	2.4
129.07028	3.1
131.08595	2.5
133.10121	3.6
133.62308	1.3
137.13242	2.5
141.09094	1.8
145.10078	3.0
147.11696	81.7
157.10143	5.8
165.12767	36.8
175.11125	6.3
179.42039	1.2
183.13864	3.0
193.12222	2.6
213.05463	1.4
225.08984	2.0
229.14301	9.3
253.08571	1.8
257.04388	3.2
267.15839	4.6
270.05276	3.0
285.07758	10.1
285.10941	1.5
285.12082	2.0
285.16974	43.1
285.22104	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
54.94656	0.3
55.01870	1.8
55.05515	15.2
55.05785	0.8
57.03441	22.3
57.07078	1.3
59.05005	0.9
62.35968	0.3
65.03934	1.3
67.05507	32.1
69.03432	0.8
69.07073	18.5
70.88973	0.6
70.89317	0.5
71.04999	6.4
73.06561	0.7
77.03938	0.5
79.05495	19.5
81.03434	1.0
81.07061	100.0
82.07393	0.4
83.04984	6.5
83.08618	8.7
85.02939	0.7
85.06551	7.1
87.04488	0.6
91.05487	25.8
93.07047	12.7
95.04979	2.9
95.08611	19.5
97.06529	8.4
97.10189	0.8
99.04448	0.4
99.08099	4.9
101.06037	1.5
105.07037	34.5
107.08601	12.1
109.06532	6.0
109.10162	2.2
111.08076	1.3
113.06014	1.6
115.05457	0.6
115.07617	0.5
117.07008	0.9
119.08586	28.5
121.10153	20.9
122.10414	0.4
123.08092	4.8
123.11715	31.5
127.07564	3.5
129.07033	2.5
131.08586	1.1
133.10167	2.7
135.11806	0.4
137.09660	0.7
137.13246	2.5
141.09123	1.7
142.07799	0.8
145.10152	1.3
147.11694	73.2
149.09636	0.8
157.10141	3.7
161.06093	0.5
165.12764	38.7
166.13184	0.4
171.11690	0.4
175.11188	3.1
183.13828	4.0
193.12251	3.0
211.13234	0.4
221.06067	0.4
225.09068	0.9
229.14348	6.6
243.11394	0.5
253.08566	1.2
267.15921	3.8
270.05176	0.9
285.07956	2.5
285.16977	42.8
286.17267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01874	2.4
55.05512	15.0
57.03440	18.7
57.07074	1.1
59.05000	1.1
65.03941	1.4
67.05505	33.4
69.03432	1.4
69.07070	20.8
70.06607	0.3
71.04993	6.6
72.08134	0.4
73.02903	0.2
73.06551	1.0
77.03922	0.3
79.05495	19.2
81.03433	1.6
81.07058	100.0
82.07400	0.3
83.04984	7.5
83.08618	9.7
85.02911	0.9
85.06541	6.7
87.04469	0.5
91.05482	25.6
93.06574	0.2
93.07046	13.5
95.04978	4.1
95.08610	20.5
97.02898	0.8
97.05910	0.5
97.06536	8.9
97.10137	0.5
98.98492	0.3
99.04458	0.6
99.08095	4.9
101.06015	1.9
103.05482	0.3
105.07033	36.9
107.04957	0.8
107.08596	13.1
109.02862	0.4
109.06526	6.2
109.10143	2.7
111.04421	0.3
111.08092	1.8
113.06009	1.7
115.05447	0.5
115.07559	0.5
117.07012	1.1
119.08583	29.2
120.08855	0.3
121.02810	0.4
121.06475	0.5
121.10145	21.3
123.08081	4.1
123.11708	29.0
125.09679	0.4
127.07562	3.1
128.06223	0.5
129.06996	2.5
131.04919	0.3
131.08583	2.9
132.09290	0.3
133.06564	0.6
133.10146	3.9
134.03595	0.5
135.08058	0.4
135.11705	1.0
137.02336	0.8
137.05951	0.6
137.09639	0.8
137.13246	2.4
141.06984	0.4
141.09109	1.3
142.07755	1.1
143.08583	0.8
145.10121	2.4
147.11690	74.6
148.11998	0.5
149.09613	1.0
149.13252	0.5
153.06981	0.4
155.08490	0.5
157.10120	4.7
157.11298	0.4
159.11681	1.1
161.05934	0.8
165.07104	1.3
165.12758	37.7
166.13205	0.3
169.10136	1.6
171.11673	0.6
173.13268	0.5
175.11182	4.2
175.14877	0.6
181.06514	0.4
182.07246	0.5
183.07951	0.4
183.11725	1.2
183.13808	4.1
185.05824	0.3
185.13274	0.4
187.14813	0.4
193.06493	1.0
193.12268	3.3
197.05945	0.7
197.13245	0.7
198.09158	0.3
199.07607	0.3
199.14828	0.8
201.16499	0.4
210.06755	1.0
211.07518	0.4
211.13290	0.8
211.14948	0.6
213.05478	0.7
214.06270	0.4
215.11896	0.6
221.05946	0.8
225.05498	0.8
225.09045	2.4
225.16438	0.4
229.14351	6.3
238.06285	0.3
239.17960	1.0
243.11293	1.7
253.04967	1.0
253.08627	3.6
257.08096	0.3
267.13290	0.5
267.15842	4.3
267.20874	0.6
269.04498	0.5
270.05164	2.3
270.07730	0.3
285.07544	8.8
285.11493	2.8
285.16946	41.4
285.22122	2.5
286.07877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13219	0.7
53.03943	1.7
55.01876	1.7
55.05514	17.5
57.03440	21.1
57.07075	1.3
59.05011	1.0
65.03950	1.2
65.62841	0.7
67.05507	33.0
69.03415	0.9
69.07069	18.4
70.26522	1.8
70.26922	1.2
71.04998	6.4
73.06561	0.8
77.03953	0.6
79.05060	1.4
79.05495	19.4
81.03431	1.4
81.07060	100.0
83.04995	6.7
83.08624	10.1
85.06546	7.7
91.05488	26.2
93.07048	13.2
95.04985	3.5
95.08614	21.3
97.06528	8.4
99.04369	0.8
99.08092	5.5
101.06010	1.4
105.07036	37.9
107.05006	0.8
107.08609	13.1
109.06528	5.9
109.10149	2.0
111.08077	1.6
113.06030	1.2
115.07609	0.9
119.08585	30.0
121.10155	22.9
121.11037	1.4
123.08078	4.9
123.11717	30.4
127.07581	3.2
128.56920	0.6
129.07007	2.8
131.08582	1.9
133.10144	2.4
137.13264	2.2
141.09143	1.3
145.10075	0.8
147.11691	80.1
148.12019	1.0
149.09627	1.3
157.10114	4.1
165.12762	40.6
175.11226	3.1
183.03636	0.7
183.13829	4.4
193.12234	3.3
211.13286	1.2
229.14415	6.0
242.05832	1.2
255.19370	0.7
267.15854	2.8
270.05212	1.5
285.07690	3.3
285.16971	45.1
299.92267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01870	3.9
55.05512	7.3
55.65079	0.8
57.03441	8.1
65.03919	1.2
67.05506	15.0
69.03416	3.2
69.07074	3.3
71.04989	2.6
71.13981	2.0
72.08133	1.3
77.06316	0.9
79.05505	13.4
81.03419	100.0
81.07059	14.2
83.04994	5.8
83.08620	19.9
85.02900	7.1
86.35772	1.0
91.05481	17.1
93.07063	8.9
95.04973	26.8
95.08611	4.9
97.02911	2.0
97.06531	2.4
97.10167	1.0
97.98961	0.9
102.86440	0.8
105.07039	13.2
107.04964	7.0
107.08608	4.4
109.06544	3.3
109.10130	1.8
111.04424	1.8
111.08083	11.4
113.05986	0.9
115.05492	1.1
117.07008	1.2
119.08574	13.4
121.06512	1.9
121.10147	3.5
123.08105	1.4
123.11691	1.4
129.07008	9.6
131.04843	1.0
131.08556	6.6
133.06499	1.7
133.10133	3.0
134.03606	1.7
137.02350	3.4
137.09642	2.7
142.07800	2.9
143.08554	1.2
145.10129	2.1
147.08054	3.1
147.11702	10.2
149.09633	3.3
157.10150	10.3
158.96919	0.9
161.06023	1.3
165.01918	1.0
165.07088	1.1
165.12784	1.8
169.06393	1.2
175.11174	11.8
181.06422	1.2
193.12260	42.9
211.13293	10.5
213.05530	2.4
214.06247	2.2
221.05734	1.3
225.05556	2.6
225.09128	1.2
239.07175	1.1
253.04903	2.8
253.08647	2.4
267.11292	1.0
267.15936	9.6
269.04489	2.8
270.05231	9.2
285.07632	27.9
285.11334	4.6
285.16843	6.1
285.22110	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69896	0.8
52.94285	0.9
53.03940	3.8
55.01866	4.2
55.05514	11.8
57.03437	11.9
57.07082	1.0
65.03936	0.9
67.05505	22.5
69.03424	3.8
69.07070	7.9
70.88808	0.9
70.89127	1.7
70.99011	0.9
71.01352	0.8
71.04987	3.4
79.05062	1.7
79.05492	20.0
81.03419	100.0
81.06578	1.9
81.07056	35.8
83.04980	8.0
83.08620	22.0
85.02905	7.2
85.06542	3.1
91.05480	25.3
93.07046	14.9
95.04363	1.8
95.04968	32.7
95.08610	10.5
97.02898	2.5
97.06540	3.3
97.10184	1.4
99.08080	1.9
105.07030	24.3
106.93227	0.9
107.04957	9.2
107.08589	7.3
107.74654	0.8
109.06506	4.3
109.10170	3.1
111.04465	1.2
111.08087	11.4
114.25539	0.9
115.05502	1.5
117.07051	2.3
119.08587	20.0
119.31851	0.9
121.06491	2.7
121.10152	12.1
123.08055	2.6
123.11708	7.9
123.96348	0.9
125.09617	1.0
129.07028	7.3
131.08571	9.3
133.06499	4.5
133.10141	6.9
135.08099	1.5
135.11717	1.5
137.02342	1.6
137.09605	2.0
142.07784	2.9
145.10138	3.7
147.08080	1.9
147.11676	23.9
147.12779	1.4
149.09610	5.3
152.01057	3.9
155.08603	1.6
157.10135	13.8
157.11319	1.3
159.11688	2.2
161.06000	1.5
161.13376	1.0
165.07074	1.4
165.12762	10.7
168.05673	1.7
169.10147	0.8
170.02135	1.5
175.11194	12.8
182.14299	1.0
183.08089	3.5
183.11673	1.3
183.13724	0.8
185.13229	0.9
187.14839	2.1
193.06535	0.9
193.12244	46.9
197.06033	2.2
199.07321	0.9
210.06691	0.9
211.07518	2.9
211.13258	8.6
211.14871	0.8
213.05417	2.0
214.06262	2.6
221.06007	1.8
225.05544	2.6
225.09102	3.9
229.08632	6.1
229.14343	1.0
234.55499	1.0
239.07018	2.1
242.05765	2.3
243.11229	1.9
250.82404	1.0
253.04950	2.4
253.08673	6.6
267.15964	11.3
267.21017	1.1
269.04526	4.9
270.05200	6.4
285.07608	62.1
285.11270	5.7
285.16934	13.6
285.21857	6.4
286.07935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01865	4.2
55.05515	18.2
57.03443	23.3
57.07066	1.8
59.05007	1.3
65.03936	1.9
67.05508	39.9
69.03429	2.4
69.06727	1.7
69.07071	20.6
70.89448	1.9
70.89772	1.5
71.04996	8.3
72.08134	1.3
79.05497	28.6
81.03424	43.4
81.07062	100.0
83.04992	10.0
83.08626	19.6
83.89227	1.1
85.02901	5.6
85.06557	6.7
91.05485	34.3
93.07045	21.1
95.04979	17.1
95.08611	27.1
96.33478	1.0
97.02888	3.5
97.06548	9.0
97.10146	2.2
99.04446	1.3
99.08105	4.4
105.07036	48.5
107.04947	3.4
107.08600	14.3
109.06523	6.8
109.10156	4.2
111.04439	1.9
111.08086	8.4
113.06001	2.3
117.07071	2.0
119.08590	34.9
121.06535	3.2
121.10155	24.2
123.04450	1.2
123.08054	4.8
123.11710	27.2
127.07529	2.0
129.07016	7.6
131.08585	8.7
133.06458	2.4
133.10161	8.0
135.08063	1.7
135.11674	1.3
137.02374	2.4
137.09602	3.3
137.13255	2.2
141.07008	1.3
142.07802	2.0
143.08592	3.3
145.10120	3.6
147.08083	1.9
147.11694	68.8
149.09631	3.6
149.13293	1.7
152.01035	8.7
155.08578	1.4
157.10149	11.7
159.11687	4.0
161.05891	1.3
161.13264	2.7
165.07022	2.0
165.12769	37.8
168.05727	3.6
170.02098	3.7
171.08093	1.2
171.11664	1.6
173.13222	2.8
175.11208	11.0
182.07491	1.4
183.07991	6.0
183.11641	2.3
183.13846	2.4
193.12245	26.6
196.05257	1.9
197.05940	2.1
197.13182	1.5
201.16415	1.7
211.07587	5.7
211.13260	5.8
213.05473	2.9
214.06247	2.2
225.05553	3.3
225.09122	3.0
225.36133	1.2
229.08617	11.0
229.14230	6.1
239.07045	2.6
242.05783	3.9
243.11269	2.3
253.05084	3.3
253.08626	3.2
267.15814	9.6
267.21091	4.0
269.04440	3.9
270.05389	6.4
270.08072	1.3
285.07608	93.7
285.11304	4.1
285.16949	40.9
285.21896	15.2
286.07904	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	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.36093	1.1
52.11511	1.2
53.03951	3.1
55.01888	3.2
55.05516	20.6
57.03185	2.1
57.03442	25.2
57.07074	2.5
65.03944	1.5
67.05510	29.4
69.01262	1.2
69.03437	4.9
69.07076	10.8
71.05010	8.3
71.55512	1.4
79.05501	23.6
81.03426	100.0
81.06584	1.7
81.07065	33.2
83.04987	13.0
83.08626	28.7
85.02910	48.8
85.06540	2.9
91.05051	0.9
91.05489	30.2
93.07048	19.7
95.04980	36.0
95.08616	15.5
97.02908	5.5
97.06551	6.4
97.10208	2.6
99.08093	2.7
105.07035	26.8
107.04970	7.1
107.08599	10.7
109.06528	5.0
109.10173	5.5
111.04443	4.1
111.08082	16.3
113.06027	2.7
113.27256	1.3
115.05483	2.7
117.07085	2.3
119.08595	27.6
121.06548	1.8
121.10152	14.6
123.08045	1.7
123.11707	5.5
123.39647	1.4
129.07013	13.6
130.63400	1.2
131.08566	14.6
133.06549	3.3
133.10126	9.8
136.43895	1.3
137.09674	2.7
141.07050	1.4
142.07768	3.0
145.10181	3.3
147.08116	2.3
147.11693	27.9
149.09641	6.7
149.13179	1.7
157.10164	16.6
159.08023	1.7
159.11693	1.7
165.12827	9.0
168.09473	1.2
173.13203	2.2
175.11209	19.5
183.14008	1.4
187.14868	1.6
193.12257	77.6
211.13298	46.6
229.14410	6.2
240.23428	1.6
253.08696	1.9
267.15894	10.7
267.21039	1.6
285.07492	9.1
285.12073	2.0
285.16940	33.7
285.22235	5.7
285.29150	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01865	5.3
55.05515	20.7
57.03188	2.3
57.03440	28.5
59.04996	2.4
65.03957	2.4
66.21035	1.6
67.05509	30.9
69.03429	6.4
69.07069	12.6
69.21713	15.4
71.05006	9.8
79.05502	29.3
81.03423	100.0
81.07059	49.0
82.97316	1.5
83.04986	12.9
83.08624	30.9
85.02910	57.7
85.06566	1.8
91.05487	36.1
93.07047	23.7
93.45548	1.6
95.04967	38.4
95.08606	16.8
97.02907	3.9
97.06541	9.2
97.10170	6.1
99.04368	1.9
105.06381	2.7
105.07040	33.6
107.04948	6.4
107.08587	12.7
109.06544	8.6
109.10156	5.5
111.04433	5.8
111.08083	15.9
113.05988	5.7
117.07032	3.0
119.04922	1.9
119.08595	26.5
121.06432	2.5
121.10155	17.6
123.08064	4.6
123.11705	4.2
128.06209	2.1
129.07027	12.6
131.08568	16.9
133.06523	4.8
133.10147	14.5
135.11691	2.3
142.07751	4.2
143.08600	3.2
145.10124	5.0
147.08038	4.3
147.10651	2.3
147.11699	26.2
149.09644	7.9
151.11212	4.3
155.08600	1.7
157.10136	23.5
161.09581	1.9
165.12759	9.1
171.11670	2.6
175.11189	22.2
182.95618	1.7
183.08113	1.9
183.11760	2.8
187.14801	1.6
193.12254	87.0
197.13231	1.6
211.11307	3.6
211.13297	62.0
211.15263	3.3
213.05351	3.0
221.05919	2.7
225.05463	2.4
225.09190	2.5
229.14302	2.3
243.11191	2.3
253.04945	2.3
253.08614	5.0
267.15869	7.3
267.21091	2.2
270.05313	6.8
285.07584	29.7
285.11267	6.6
285.16946	51.6
285.22113	7.3
285.25250	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.0
55.01872	3.8
55.05515	27.7
57.03442	32.7
57.07060	3.0
63.00047	3.6
65.03948	5.1
67.05508	45.2
68.70232	2.3
69.03436	6.7
69.07086	18.4
70.06601	2.9
71.04992	11.2
71.31090	4.3
79.05489	32.6
79.70090	2.2
81.03419	100.0
81.07058	61.7
83.04979	18.2
83.08618	37.5
85.02908	55.3
85.06562	6.7
91.05487	42.9
93.07055	29.9
93.52789	2.4
95.04974	42.0
95.08614	27.1
97.02873	3.4
97.06544	10.6
97.10159	4.3
98.98460	4.2
99.08095	3.9
105.07042	43.0
107.04961	7.6
107.08597	25.2
109.06518	8.7
109.10156	12.8
111.04475	4.6
111.08090	21.8
113.06001	3.5
115.05428	3.1
117.07063	5.4
119.08588	38.3
121.10149	33.2
123.08088	6.8
123.11716	10.7
128.06247	2.9
129.07007	21.7
131.08583	24.3
133.06503	4.7
133.10130	17.8
135.08060	6.1
135.11636	3.6
137.09612	3.8
142.07805	7.3
143.08557	12.0
145.10136	14.4
147.08011	5.6
147.11707	36.4
149.09630	9.2
151.11195	2.9
151.82225	2.2
155.08559	6.1
156.09401	2.8
157.10147	26.8
159.08044	4.8
159.11693	9.7
161.09654	3.7
163.07426	2.8
165.12762	14.6
169.10132	7.7
171.11722	7.4
173.13277	8.4
175.11198	24.4
183.11694	8.6
187.11171	5.7
187.14801	4.7
193.10452	5.6
193.12241	93.4
197.13339	5.3
199.14911	9.7
201.12732	3.7
211.11320	5.3
211.13235	54.1
225.16455	3.7
229.12253	5.3
239.18051	3.7
242.16632	3.6
243.17513	3.6
253.05118	2.8
257.19077	5.7
267.15735	6.2
267.17706	4.4
267.20218	2.4
270.05215	7.2
285.07635	23.2
285.17068	46.4
285.22174	5.7
285.29816	10.8
300.08359	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03930	3.7
54.23325	1.2
55.01854	3.7
55.05515	23.5
57.03441	37.2
59.04979	2.1
62.62765	1.4
63.00018	3.2
63.96892	1.3
67.05511	36.0
69.03423	8.3
69.07071	9.6
70.06625	1.3
71.05000	8.0
71.55516	2.1
79.05494	28.1
81.03423	97.9
81.07061	51.1
83.04990	17.9
83.08627	36.9
85.02911	63.3
85.06494	4.9
91.05487	36.5
93.07052	19.9
95.04975	42.4
95.08614	17.2
97.02836	5.6
97.06513	10.7
97.10129	3.8
98.98433	2.7
99.08072	2.7
105.07032	36.5
107.04978	9.0
107.08607	15.3
109.06530	9.0
109.10101	6.4
111.04405	4.8
111.08087	20.4
113.05939	5.1
115.05435	2.0
116.06238	1.8
117.06965	3.3
119.04954	1.4
119.08590	32.4
121.06447	5.2
121.10156	18.4
123.04391	2.6
123.08014	5.6
123.11707	8.9
125.09573	2.4
129.07040	14.3
131.08578	20.7
133.06389	3.9
133.10130	14.4
135.08025	1.8
135.11629	1.8
137.05916	3.6
137.09682	3.3
142.07724	4.2
143.08566	2.0
145.10182	7.0
147.07964	5.3
147.11694	35.7
149.09628	10.2
149.13200	1.4
150.79291	1.5
151.03842	1.8
155.08482	3.4
157.10136	21.8
159.07973	2.5
159.11691	2.8
161.05847	1.6
161.09581	2.5
165.06891	2.1
165.12764	9.8
169.10036	2.1
171.11620	2.8
173.13200	3.1
175.11205	25.1
185.13113	2.3
187.11069	2.0
193.12259	100.0
210.06696	1.4
211.13303	66.9
213.05179	1.5
225.08983	2.8
229.14238	3.0
243.13623	1.6
243.17412	2.4
253.08449	2.9
267.15811	8.6
270.04990	3.9
271.59116	1.6
285.07700	21.1
285.11060	5.6
285.16803	59.0
285.22113	7.2
285.25485	2.7
285.29678	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	2-Carbomethoxy-6-methoxyxanthone
Peak:m/z	Relative Intensity
53.03915	0.2
55.01847	0.3
55.05473	0.6
57.03403	0.7
60.21433	0.2
62.14031	0.1
63.00028	0.2
63.29313	0.1
67.05509	1.6
68.99776	0.2
69.03402	0.2
69.07055	0.8
69.39701	0.8
69.40125	0.5
71.04961	0.2
79.05502	1.2
81.03413	0.8
81.07060	3.3
83.04918	0.5
83.08586	0.5
85.02877	0.3
89.03903	0.4
91.05482	1.9
93.07051	1.3
95.04943	0.5
95.08611	1.5
97.02856	0.5
97.06490	0.5
97.10059	0.2
99.08057	0.2
100.67538	0.2
105.07047	2.2
105.76528	0.2
107.04986	0.3
107.08591	0.8
108.02055	0.4
109.02882	0.2
109.06490	0.4
109.10114	0.4
115.05439	0.5
117.07012	0.2
119.08575	1.5
121.02886	0.2
121.06483	0.2
121.10171	0.8
123.04411	0.2
123.08035	0.2
123.11686	0.8
129.06946	0.7
131.08533	0.7
133.10127	1.0
134.02647	0.4
134.03642	6.7
135.11703	0.2
137.02341	12.5
141.06985	2.3
142.07697	0.3
143.08524	0.3
145.10085	0.5
145.98697	0.2
147.11703	2.6
149.02335	0.2
149.05933	0.2
152.06198	0.2
153.07001	0.4
154.02641	0.3
155.04881	0.6
155.08482	0.2
157.06465	0.5
157.10086	0.8
158.07210	0.7
159.11661	0.5
161.02240	0.2
161.05940	0.5
161.13188	0.2
165.06990	0.6
165.12804	1.3
168.05678	0.6
169.06487	1.6
171.11636	0.4
173.06009	0.2
173.13274	0.2
175.03877	0.3
175.11230	0.4
181.06448	1.0
182.07224	0.2
183.04395	0.7
183.11711	0.2
185.05983	1.0
185.13223	0.2
186.06775	2.2
193.06473	0.7
193.12267	0.4
196.05165	0.6
197.05986	4.8
197.13350	0.2
199.03944	0.2
199.14731	0.2
200.04614	0.2
203.03426	0.2
210.06712	0.3
211.07536	0.3
213.05469	10.5
213.16377	0.2
214.06242	7.5
221.05937	0.4
224.04651	0.4
225.05472	14.1
225.09073	0.9
225.12695	0.3
226.05812	0.3
229.08553	2.1
229.14307	0.2
239.07114	0.3
241.04971	0.7
241.12175	0.2
242.05788	1.8
243.11212	0.4
253.04965	13.7
253.08464	1.5
254.05438	0.2
257.04459	0.7
257.07990	0.5
257.19046	0.2
267.15936	0.6
269.04465	5.6
270.05231	27.8
271.05524	0.3
285.07574	100.0
285.21701	1.1
286.07892	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	Biochanin A
Peak:m/z	Relative Intensity
51.06781	0.2
53.03947	0.3
55.01883	0.2
55.05494	0.4
62.48444	0.2
65.03925	0.4
65.30560	0.2
67.05489	1.0
69.07046	0.7
70.06575	0.2
70.84419	0.4
70.84740	0.3
71.04995	0.3
72.08136	0.4
79.05485	0.8
79.62463	0.2
81.03415	0.8
81.07055	1.6
87.66393	0.2
91.05494	1.1
93.07050	0.6
95.01357	0.4
95.04968	0.3
95.08595	0.9
97.02914	0.6
97.06549	0.6
103.05499	0.3
105.07027	1.6
107.04939	1.0
107.08604	0.6
109.06515	0.3
109.10173	0.4
115.05466	0.4
118.04168	0.7
119.04948	0.3
119.08570	1.0
121.06508	0.7
121.10135	0.5
123.00809	1.5
123.04440	1.1
123.11709	0.3
124.01568	0.6
128.06204	0.2
129.06984	0.7
131.04903	0.3
131.08539	0.7
132.05702	0.5
133.06496	0.9
133.10135	0.5
134.03680	0.2
135.07993	0.3
137.02336	0.7
137.05959	0.3
140.06184	1.0
141.06941	0.3
143.08536	0.5
145.06491	0.3
145.10114	0.7
146.03786	0.2
147.11682	0.7
149.02318	0.3
151.00243	0.4
152.01044	8.2
152.06219	0.9
153.01801	1.2
153.06989	1.4
155.08517	0.4
157.06494	0.6
157.10124	0.4
158.07256	0.6
159.08116	0.3
159.11720	0.5
161.06024	0.4
165.07060	0.6
168.04344	0.4
168.05717	4.7
169.01274	0.3
169.06512	0.8
169.10094	0.3
170.02122	3.6
171.11681	0.6
173.09613	0.4
173.13280	0.3
176.73494	0.2
179.03380	0.3
180.05563	0.4
181.06474	0.8
182.07237	0.6
182.10965	0.2
183.08061	8.4
183.09691	0.5
183.11629	0.3
185.05962	0.5
185.13266	0.2
186.06744	1.9
187.14737	0.3
193.06459	0.5
196.05219	3.0
197.06013	1.3
197.13260	0.4
210.06729	0.7
211.07549	6.2
211.14882	0.4
213.05452	1.9
214.06213	1.9
215.11841	0.4
221.05959	0.7
224.04668	0.5
225.05530	1.1
225.09029	1.6
225.12682	0.3
227.18173	0.3
229.08609	13.3
239.07024	3.1
241.04997	1.0
242.05762	3.2
243.11302	0.9
247.37715	0.2
253.04950	2.2
253.08557	2.4
257.08112	0.6
269.04446	3.3
270.05231	4.2
284.29565	0.3
285.07587	100.0
285.21701	1.8
286.07904	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	2-Carbomethoxy-6-methoxyxanthone
Peak:m/z	Relative Intensity
55.05504	0.8
57.03427	0.5
60.15960	0.2
67.05511	1.5
68.99790	0.4
69.07059	0.9
70.77365	0.7
71.04965	0.3
79.05491	1.0
81.03425	0.9
81.07059	3.7
83.04952	0.4
83.08622	0.7
85.02898	0.3
85.06547	0.3
89.03925	0.7
91.05496	1.9
93.07087	1.2
95.04967	0.5
95.08619	1.2
97.02894	0.3
97.06537	0.5
105.07045	1.7
107.04961	0.3
107.08582	0.6
109.02847	0.3
109.06514	0.4
109.10181	0.5
113.84061	0.2
115.05430	0.4
117.07160	0.2
119.08600	1.3
121.10130	1.0
123.11687	0.9
127.03992	0.2
129.07014	0.9
131.04964	0.3
131.08565	0.7
133.10120	1.2
134.03645	6.8
137.02350	13.6
141.06964	1.7
145.10152	0.7
147.11719	3.0
149.06029	0.3
153.06989	0.3
155.04822	0.5
157.06551	0.3
157.10143	1.0
158.07285	0.6
159.08141	0.2
161.02460	0.2
161.05991	0.5
165.07054	0.4
165.12769	1.2
168.05777	0.5
169.06500	1.7
171.11751	0.3
173.13214	0.2
175.03874	0.3
181.06499	0.6
182.07259	0.3
183.04433	1.0
183.07956	0.3
183.13783	0.3
185.06009	1.0
186.06792	2.2
193.06516	0.4
193.12193	0.5
193.78708	0.3
196.05290	0.6
197.06012	4.5
209.06076	0.3
211.07697	0.3
213.03432	0.5
213.05482	9.8
214.06252	7.2
221.06152	0.3
224.04800	0.3
225.05489	14.1
225.09120	0.9
229.08623	2.6
241.04967	0.8
242.05775	1.8
243.11324	0.4
253.04990	13.0
253.08467	1.0
254.09166	0.3
257.04483	0.5
257.08252	0.5
267.16000	0.7
267.21140	0.3
269.04462	5.6
270.05240	28.3
271.05750	0.3
285.07590	100.0
285.21716	1.5
286.08005	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0753
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
55.05516	0.4
67.05488	0.6
70.68100	0.2
71.09811	0.5
79.05482	0.6
81.03425	4.6
81.07053	0.6
83.04985	0.2
83.08618	0.8
83.60083	0.2
89.03941	0.3
91.05474	0.4
95.04977	1.3
95.08632	0.4
105.07043	0.6
107.04944	0.4
107.08612	0.2
109.06503	0.2
111.08068	0.4
115.05495	0.4
119.08578	0.6
121.06507	0.5
121.10128	0.2
127.03970	0.2
129.06989	0.6
131.08537	0.5
134.03647	7.2
136.01556	0.2
137.02345	13.3
141.06999	1.7
141.63463	0.2
147.11725	0.3
154.02579	0.4
155.04929	0.4
157.06531	0.3
157.10146	0.3
158.07312	0.5
159.07568	0.2
161.02281	0.3
168.05727	0.8
169.06516	1.8
175.03915	0.3
175.11290	0.4
177.60875	0.2
181.06503	0.7
183.04395	0.7
185.05951	1.0
186.06721	2.1
187.03914	0.3
193.12260	2.0
196.05182	0.2
197.05984	4.4
198.06625	0.3
211.07552	0.3
213.05481	9.1
214.06242	6.9
214.08290	0.3
215.06769	0.2
224.04695	0.4
225.05487	13.6
226.06062	0.3
228.04292	0.2
229.04999	0.5
229.08630	2.1
241.05052	0.4
242.05728	1.9
253.04976	12.8
257.04398	0.3
257.08130	0.5
267.15918	0.4
269.04434	4.4
270.05243	27.7
271.05399	0.2
285.07587	100.0
286.08029	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	Biochanin A
Peak:m/z	Relative Intensity
51.04129	0.2
55.01856	0.3
55.05502	0.4
57.03409	0.6
60.01608	0.2
67.05502	1.1
69.07039	0.4
69.22980	0.9
69.23409	1.3
71.04984	0.3
79.05461	0.8
81.03424	3.0
81.07059	1.3
83.08595	0.6
85.02879	0.6
87.53873	0.2
89.03899	0.4
91.05475	1.0
93.07020	0.6
95.04949	0.9
95.08607	0.5
97.06466	0.2
105.07005	0.7
106.58098	0.2
107.08591	0.4
109.10166	0.2
111.08080	0.4
111.18143	0.2
115.05460	0.2
117.03295	0.2
119.08553	0.8
121.06496	0.4
121.10133	0.5
123.11670	0.3
129.06981	0.5
131.08530	0.4
133.02786	0.2
134.03639	8.2
137.02350	13.6
139.84746	0.2
141.06995	2.4
142.07790	0.3
147.11687	1.2
149.05986	0.3
153.07051	0.3
154.02588	0.5
155.04962	0.4
157.06519	0.3
157.10120	0.3
158.07242	0.6
159.11703	0.2
162.41719	0.2
165.12694	0.3
168.05708	0.5
169.06500	2.0
175.03949	0.3
175.11226	0.5
181.06477	0.9
183.04401	1.0
185.05974	0.9
186.06757	2.5
193.12196	1.7
196.05132	0.6
197.05997	5.7
211.13205	0.7
213.05476	11.5
214.03156	0.3
214.06256	6.6
224.04701	0.5
225.05479	15.1
225.09062	0.6
226.05980	0.3
228.04250	0.2
229.08592	2.6
241.04964	0.7
242.05771	1.5
253.04979	14.7
254.05440	0.4
257.08212	0.7
269.04459	5.2
270.05243	28.5
271.05557	0.5
285.07587	100.0
286.07910	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
56.96566	0.5
61.02913	0.3
69.03407	0.4
69.85402	1.6
70.06557	0.3
72.08128	0.3
73.02914	0.3
79.68067	0.3
85.02905	0.6
98.97649	0.3
109.05142	0.6
110.03529	2.5
128.04568	0.6
135.03026	5.3
152.05687	100.0
153.04089	6.3
153.05975	0.4
220.89209	0.4
261.03220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.78921	0.6
56.05039	1.4
57.02533	0.7
66.62713	0.6
66.89048	0.6
67.05493	0.7
69.03426	1.6
69.07066	0.9
70.06607	4.3
70.08176	2.6
72.08149	2.7
74.02459	0.7
79.05472	1.2
81.03411	1.6
83.06105	2.5
84.04510	48.3
84.08128	2.0
84.44743	0.7
85.02906	2.6
86.09711	1.3
88.03921	0.7
91.05471	1.1
93.07061	1.5
95.04961	1.0
95.07353	0.9
97.02885	1.9
98.06085	1.0
101.07153	4.5
102.05556	1.5
105.07034	1.4
106.25758	0.7
106.48721	0.6
108.08154	0.9
109.02837	0.7
109.06506	0.7
110.06036	1.6
110.07178	1.0
110.09680	1.0
110.29677	0.7
112.07616	0.9
116.07085	1.3
120.08060	0.9
121.02903	3.4
121.03632	0.6
122.03183	3.3
122.06068	1.2
123.06809	2.6
126.09161	8.9
127.03922	1.0
129.06607	7.7
130.05014	71.0
135.04428	0.7
136.06174	0.7
136.07582	0.7
138.09149	100.0
140.07068	1.9
145.04962	1.3
147.07657	52.3
152.05675	2.0
152.07118	0.8
155.11797	2.6
161.05959	0.8
163.03932	1.6
167.13843	0.7
173.13078	0.7
188.04610	0.8
196.09990	1.0
206.08293	2.2
221.12889	5.3
231.05049	0.8
237.12790	0.6
239.11676	1.4
253.08490	0.9
266.10284	0.9
267.11331	1.7
284.12912	1.1
284.16010	15.1
284.29556	3.7
285.12564	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	7,2'-dihydroxy-4',5'-methylenedioxyisoflav-3-ene
Peak:m/z	Relative Intensity
50.98441	0.4
53.00311	0.9
53.03943	0.5
55.01879	2.7
55.05519	2.1
57.02778	0.4
57.03419	1.8
57.07061	0.8
61.46965	0.4
65.03945	3.2
66.12334	0.5
67.05185	0.4
67.05512	8.4
68.99776	2.3
69.03435	0.4
69.07060	1.7
70.06599	0.8
71.04994	0.9
71.55835	0.5
72.08151	1.0
79.05502	3.0
81.03432	2.6
81.07052	6.4
83.04980	0.7
83.08607	1.1
85.02893	1.2
91.05492	3.6
93.03416	3.9
93.07055	2.4
95.04980	6.4
95.08613	3.7
95.62622	0.5
97.06525	0.8
98.98505	0.6
105.07029	4.1
107.04945	1.3
107.08606	1.7
109.06544	0.4
109.10153	1.2
111.04445	1.2
111.08081	0.5
117.07018	0.6
119.04944	1.2
119.08607	3.1
121.02857	4.5
121.10149	2.3
123.04435	77.9
123.11701	1.5
124.04667	0.5
129.06982	0.8
131.08575	1.5
133.02863	0.8
133.10127	1.4
135.04422	1.3
135.08047	0.7
135.11697	0.7
137.02357	2.0
137.05922	0.4
139.03973	0.5
141.07048	0.5
143.08611	0.9
144.09433	0.4
145.10101	1.6
147.04419	6.7
147.08104	0.5
147.11708	4.2
148.05194	1.7
151.03911	100.0
151.11121	0.7
152.04277	1.4
153.06999	1.3
157.06497	1.0
157.10130	1.5
159.07999	0.9
159.11703	1.0
161.05956	0.6
163.03912	3.8
165.07011	0.7
165.12781	1.7
169.10147	0.6
171.08099	0.5
173.13226	0.6
175.03923	15.1
175.11168	0.6
175.14807	0.5
176.04599	0.6
181.06502	1.7
185.06020	0.9
185.13187	0.6
189.09059	0.6
191.03406	0.5
193.12279	1.2
197.13138	0.5
199.07605	1.1
199.14928	0.6
210.06851	0.5
211.07607	0.6
211.11252	0.4
211.13213	0.6
211.14987	0.7
213.05499	1.0
213.85524	0.4
214.06288	0.6
214.14603	1.2
225.09161	1.0
227.07048	2.0
229.08655	0.8
243.11232	0.9
253.05701	0.4
253.08643	1.7
255.06523	4.8
257.08035	1.0
267.06439	0.6
270.05292	1.9
282.22128	0.5
284.29517	0.7
285.07626	16.9
285.11349	1.7
285.16888	1.8
285.18909	0.7
285.22842	4.8
285.26065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2269
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
53.03951	4.1
54.91496	1.2
55.01868	3.7
55.05514	78.7
57.03439	32.9
57.03714	0.9
57.07076	30.9
67.05505	19.1
69.03422	2.2
69.07070	100.0
69.88008	1.8
69.88312	6.5
71.05008	2.5
71.08633	10.8
72.08155	1.5
73.06566	2.1
79.05498	10.2
81.07064	17.2
83.04996	4.2
83.08623	69.1
84.08956	1.5
85.06533	2.1
85.10194	4.3
89.06055	1.6
89.15362	1.2
91.05462	6.7
91.14673	1.2
93.07052	13.3
95.04968	3.3
95.08607	17.3
97.02926	1.7
97.06541	8.6
97.10177	46.5
99.08118	1.7
101.06013	2.0
105.07047	10.8
107.08591	13.0
109.06551	2.3
109.10149	10.4
111.08105	4.4
111.11721	18.6
117.07064	2.5
119.08597	6.6
121.06548	2.3
121.10161	19.9
123.08181	1.8
123.11744	4.3
125.09669	2.4
125.13295	4.3
131.08585	5.1
133.10165	6.3
135.08127	1.6
135.11711	11.4
139.11247	2.1
141.07033	1.6
142.07819	2.6
143.08597	5.9
144.09326	1.5
145.10109	8.8
147.11800	2.0
149.13289	3.5
153.12750	2.2
155.08569	1.9
156.09416	2.0
157.10211	4.9
158.10936	1.7
159.11731	3.9
160.97787	1.4
161.09712	5.3
163.11246	4.1
169.10217	1.6
171.11777	4.1
173.09772	1.8
173.13249	11.1
175.14902	1.7
181.12373	1.7
183.11722	3.0
185.13301	5.4
187.14848	1.4
191.17953	2.9
194.10883	1.8
195.11673	3.1
199.11392	1.7
199.14906	2.5
209.13396	4.9
211.77960	1.4
213.12796	1.7
223.14944	2.7
225.16483	2.5
227.12665	2.3
227.14667	1.9
265.19550	5.8
283.15768	2.7
283.22858	92.8
286.92789	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03934	3.7
53.65382	1.7
53.98793	1.3
55.05516	9.3
57.03428	2.6
57.07074	4.1
65.03941	1.9
67.05170	1.9
67.05509	25.1
69.03436	7.4
69.07076	10.1
70.48292	1.5
71.04989	6.0
79.05496	21.8
81.07065	40.3
83.04978	4.6
83.08610	4.4
85.06548	1.7
91.05479	22.0
93.07052	44.6
95.04969	9.6
95.08615	20.4
97.06541	4.7
105.07035	43.7
105.07574	0.8
107.04917	2.0
107.08604	32.5
109.06533	9.7
109.10167	17.3
111.08047	2.7
115.05421	2.4
117.07034	8.7
119.08593	37.2
121.06502	6.7
121.10151	73.2
122.10476	1.7
123.08091	7.2
123.11720	6.2
128.06241	3.5
129.07001	5.3
130.07770	4.4
131.08591	31.3
133.07671	1.9
133.10135	25.9
135.08081	8.7
135.11708	9.7
137.09636	2.6
137.68033	1.5
141.07047	1.9
142.07803	6.7
143.08577	16.4
144.09244	2.8
145.10130	36.2
146.07271	2.9
147.08084	2.5
147.11665	9.0
149.09642	3.1
149.13255	3.2
155.08565	4.2
156.09361	6.1
157.10132	18.4
158.10938	6.1
159.08078	4.0
159.11713	13.0
161.09650	23.4
161.13280	5.6
163.11172	3.1
165.07048	3.1
167.08553	3.4
168.09334	4.3
169.10101	7.8
170.10841	2.7
171.08060	1.6
171.11725	14.7
173.09602	5.3
173.13277	64.4
175.11227	6.9
175.14816	7.4
179.08592	5.3
180.09265	2.3
181.10114	5.2
183.11693	8.2
185.09589	3.0
185.13220	9.9
187.11203	2.8
187.14864	8.6
189.12709	2.3
191.14349	6.2
193.10129	3.2
194.10968	4.8
195.11707	6.4
197.13353	7.3
199.11147	3.4
199.14893	7.3
201.16460	4.0
207.11702	3.0
208.12440	2.5
209.13303	13.2
210.14053	2.1
211.14818	2.5
213.12831	4.8
213.16399	4.7
221.13321	1.7
223.14769	8.0
225.16444	4.6
227.14485	7.2
235.14896	2.2
237.16447	2.6
239.17975	2.7
241.15648	1.9
255.21103	7.9
265.19647	19.0
283.20578	100.0
284.21027	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	283.2055
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03925	6.0
55.01856	4.0
55.05521	23.0
56.99396	1.6
57.03419	7.4
57.07084	9.4
57.07297	1.9
65.03945	2.5
67.05505	31.6
69.03406	7.6
69.06715	2.4
69.07066	30.7
69.46074	1.7
71.05011	9.4
71.07225	3.7
71.08597	2.1
79.05493	31.9
81.03410	2.1
81.07063	49.8
83.04960	6.7
83.08628	14.6
85.06535	3.0
91.05486	29.9
93.06489	3.7
93.07046	60.2
95.04964	14.9
95.08613	40.9
97.02889	2.4
97.06541	9.7
97.10179	8.5
99.08086	3.1
103.05463	2.6
105.07032	61.8
107.04987	1.9
107.08595	41.5
109.06532	11.7
109.10159	22.9
111.04434	3.9
111.08063	4.3
111.11699	2.6
115.05417	2.3
117.07017	15.9
119.07816	3.3
119.08583	42.9
121.06471	6.8
121.10147	100.0
123.08058	9.6
123.11674	7.4
125.09586	2.9
128.06154	3.4
129.06956	5.5
130.07735	5.6
131.08560	43.5
133.07626	2.2
133.10135	30.5
135.08015	7.9
135.11691	13.0
137.09625	3.5
141.06938	3.3
142.07755	8.3
143.08565	21.0
144.09340	4.4
145.09052	3.1
145.10123	46.7
147.08035	4.0
147.11690	13.1
149.09537	2.1
149.13228	5.8
153.12735	3.7
155.08528	4.7
155.59439	2.1
156.09308	4.3
157.10141	18.5
158.07315	2.3
158.10922	8.5
159.08008	2.4
159.10698	1.8
159.11726	18.6
161.09631	25.3
161.13222	5.3
163.11195	12.1
163.14740	3.6
166.07713	1.9
167.08545	3.7
169.10107	9.3
170.10878	2.6
171.07994	2.7
171.11668	15.8
173.09569	3.6
173.11755	3.6
173.13266	73.7
175.11229	4.3
175.14819	9.4
179.08504	5.8
180.09286	3.4
181.10027	5.6
181.12230	2.3
182.10872	2.6
183.11722	11.1
185.09608	2.3
185.13187	8.0
187.11194	2.1
187.14807	12.0
189.12720	3.6
191.14317	11.2
193.10147	3.2
194.10898	5.6
195.11642	8.1
197.13174	5.4
199.14867	8.5
201.12602	2.0
201.16275	6.5
207.11702	3.5
209.13318	12.6
213.12708	4.2
213.16339	4.4
223.14764	6.6
225.16254	3.5
227.14247	5.6
227.17963	2.0
235.14728	2.7
255.20982	7.3
265.19730	14.9
283.20435	92.3
284.20898	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01876	6.6
55.05297	1.6
55.05511	16.6
56.91510	1.2
57.03436	14.1
57.07068	4.7
67.05505	32.2
69.03426	2.5
69.07071	16.8
69.24146	2.5
69.24557	11.6
71.04993	5.2
71.08643	2.4
72.97685	1.6
73.02937	1.7
79.05492	42.1
81.03418	4.5
81.07060	29.9
83.04989	11.3
83.08624	9.5
83.73348	1.3
84.68311	1.3
87.04467	1.8
89.06045	8.2
90.01412	1.6
91.05477	15.2
93.06470	3.0
93.07050	51.9
95.04989	11.8
95.08610	50.7
97.02872	7.0
97.06534	9.7
97.10165	2.0
99.04459	5.7
105.07027	13.8
107.04959	16.2
107.08597	37.4
109.06506	4.3
109.10176	8.1
110.07209	1.5
111.04423	6.4
111.08100	3.4
117.07022	17.3
119.08578	17.1
121.06500	9.4
121.10156	19.2
123.11679	1.6
125.05986	3.8
129.06985	2.9
129.46448	1.4
130.07797	3.3
131.08586	4.7
133.08594	3.0
133.10150	6.0
135.08046	4.5
135.11703	60.5
139.07561	1.3
142.07765	1.6
143.08559	2.7
145.06465	2.0
145.09044	2.7
145.10136	37.7
147.08067	1.7
149.09616	2.2
153.12779	2.0
155.08618	1.7
157.10110	1.9
159.11694	2.0
163.11186	77.6
171.11639	1.6
173.09630	3.1
173.13373	1.6
181.12242	17.6
185.13206	2.8
191.10698	4.6
201.16376	1.5
209.11697	7.5
227.12787	100.0
255.15993	7.2
256.06628	1.2
283.15344	34.1
283.20569	3.2
283.23975	10.6
284.50580	1.3
293.58206	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01871	4.2
55.05514	12.9
57.03448	12.1
57.07076	2.8
65.03948	1.5
67.05512	21.7
69.03412	1.6
69.07087	11.0
70.21893	0.9
71.01328	1.1
71.04993	2.9
71.55865	1.6
73.02917	2.4
79.05059	2.0
79.05504	31.4
81.03427	2.9
81.07063	23.1
83.04993	6.6
83.08628	10.9
86.83292	1.0
89.06028	2.6
91.05489	13.5
93.07055	41.5
95.04999	7.2
95.08617	38.2
97.02888	4.5
97.06558	5.0
97.10193	1.5
99.04461	4.8
103.05467	1.8
105.07047	16.9
107.04971	10.3
107.08611	32.4
109.06512	2.0
109.10171	4.4
111.04456	3.2
111.08068	1.9
115.05403	1.4
117.07015	10.4
119.08590	21.1
121.06545	7.4
121.10155	20.7
123.08131	1.4
125.05996	3.9
129.06984	1.7
129.62038	1.4
130.07826	2.7
131.08534	2.9
133.10121	8.3
135.08055	4.3
135.11710	52.7
139.07613	1.5
142.07785	1.9
143.08562	1.8
145.10135	31.3
147.08076	1.4
147.11774	6.1
148.60658	1.0
153.12708	2.6
155.08527	2.2
157.10165	4.2
159.70883	1.1
163.11197	71.7
165.36145	1.1
171.11691	1.6
173.09634	2.0
175.11243	4.0
181.12245	16.6
183.11703	2.3
185.13208	1.7
191.10709	1.7
194.11072	1.2
199.14804	2.1
209.11595	1.4
209.13362	3.1
227.12798	100.0
228.13208	1.4
265.19476	1.8
283.15494	20.2
283.20575	13.1
283.24069	3.9
283.26807	1.5
284.20908	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
55.01879	4.9
55.05517	12.7
57.03440	10.7
57.07072	1.3
59.83163	0.8
59.83492	0.8
65.03948	1.5
65.78745	0.7
67.05170	1.5
67.05509	22.0
69.03423	1.5
69.07072	10.6
71.04984	3.5
71.55884	0.8
71.56291	1.2
73.02914	1.7
74.82743	0.8
79.05497	27.5
81.03423	3.4
81.07061	24.6
83.04980	4.5
83.08625	8.0
85.06541	1.3
89.06036	3.1
91.05483	11.6
93.07047	42.9
93.99539	0.9
95.04972	8.0
95.08612	40.6
97.02892	5.2
97.06517	5.0
97.10154	1.8
99.04449	4.1
103.05537	0.8
105.07041	8.5
107.04971	10.0
107.07860	1.6
107.08596	29.2
109.06517	2.4
109.10160	4.7
110.13907	0.8
111.04469	3.9
111.08118	2.0
113.06017	0.9
115.05476	0.8
117.07018	13.0
119.08604	11.0
121.06509	5.7
121.10131	14.0
125.05996	3.6
129.07063	1.9
130.07753	1.6
131.08595	2.7
133.08623	1.3
133.10152	3.8
135.08073	2.5
135.11696	49.6
139.07553	1.6
143.08578	3.0
145.06470	1.2
145.10126	31.1
147.11633	2.0
153.12756	1.6
155.08556	1.2
157.10161	2.0
157.24414	0.8
163.11188	66.8
164.11536	1.0
171.11690	2.0
173.09636	1.2
179.08591	0.9
181.12231	15.2
185.13315	1.8
191.10690	0.9
195.11858	1.3
199.14873	1.3
203.94214	0.9
209.11732	2.5
209.13428	1.2
213.16396	1.0
227.12790	100.0
228.13103	1.4
235.14886	1.1
265.19540	1.6
283.15353	24.1
283.20563	6.9
283.24118	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82394	0.5
51.06645	0.5
53.03941	2.0
55.01664	0.5
55.01882	5.2
55.05512	11.5
55.96243	0.5
57.03438	12.2
57.07077	0.9
60.84813	0.4
63.50191	0.4
65.03922	0.8
67.05505	18.2
69.03411	1.9
69.06718	0.7
69.07063	7.7
70.04798	1.4
71.04993	3.0
73.02910	1.5
77.03875	0.6
79.05495	29.6
81.03414	4.0
81.07056	21.9
83.04980	5.2
83.08617	8.9
85.06534	1.2
91.05481	10.0
93.07047	40.3
95.04966	7.7
95.08609	38.5
97.02891	5.7
97.06532	4.1
97.10159	1.1
98.20836	0.7
99.04449	4.0
103.05481	2.6
104.05807	1.2
105.04502	0.8
105.07040	7.7
107.04959	11.9
107.08596	30.4
107.22910	0.5
108.05286	0.5
109.06516	2.3
109.10159	3.0
111.04441	2.5
111.08040	1.5
113.06005	0.5
113.09702	0.6
115.05458	0.7
116.06232	0.7
117.07035	11.0
119.08584	10.6
121.02864	2.1
121.06511	6.6
121.09312	0.9
121.10145	12.5
123.04453	0.5
123.08075	0.5
123.11664	0.6
125.05998	2.6
127.07597	0.6
129.06989	1.0
130.07753	1.9
131.04906	1.2
131.08557	1.5
131.74825	0.5
133.10133	3.3
134.09637	1.1
135.08034	1.8
135.11699	50.9
136.12030	0.4
139.07553	1.8
143.08546	1.5
145.06485	0.8
145.10129	30.2
147.08052	0.6
151.03888	2.0
152.06250	0.6
153.12743	1.4
155.08585	1.3
157.10179	0.7
159.08185	0.6
163.11191	65.4
171.11690	0.5
173.09618	2.1
174.82497	0.5
175.58630	0.6
180.06561	0.7
181.12239	14.5
191.10626	0.6
209.11786	1.7
225.05441	1.0
227.12785	100.0
228.13199	1.0
240.07813	0.7
283.06042	2.2
283.09650	3.4
283.15393	24.3
283.20572	2.1
284.06500	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01870	4.6
55.05516	9.3
57.03442	9.5
57.07058	1.5
59.05005	0.7
65.03915	1.0
67.05507	18.1
69.03401	2.1
69.07066	7.5
69.40941	5.3
71.04969	2.6
71.14980	0.6
72.08144	1.6
73.02898	1.8
79.05496	28.6
81.03432	3.7
81.07063	19.6
83.04985	4.3
83.08219	0.7
83.08625	7.9
85.06524	1.0
86.09677	0.7
90.04729	0.6
91.05489	8.9
93.07048	40.7
95.04974	8.5
95.08612	38.6
97.02914	6.4
97.06541	3.4
97.10163	1.4
99.04465	4.5
103.05460	1.2
105.07037	7.4
106.01913	0.7
107.04960	10.6
107.08601	28.9
109.06480	2.2
109.10181	3.5
111.04440	2.8
111.08039	1.1
113.05878	0.7
113.09625	0.8
115.05449	1.0
117.06223	1.0
117.07027	11.0
119.08600	10.6
121.02859	2.8
121.06523	6.9
121.10144	13.0
125.05995	3.5
129.06982	1.4
130.07794	2.1
131.08592	2.0
133.10109	2.7
135.08051	2.7
135.11697	48.5
139.07516	1.4
139.11169	0.8
143.08575	1.5
145.06491	1.3
145.10127	29.8
151.03873	2.5
153.12688	1.0
155.08553	0.9
163.11191	67.6
173.09570	1.3
181.12244	16.9
209.11734	2.5
227.12791	100.0
228.13187	1.5
283.06348	1.0
283.09940	2.6
283.15424	23.5
283.20569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10814	0.7
52.92112	0.7
53.03911	2.4
55.01873	6.9
55.05512	13.2
55.94691	0.7
56.92448	0.7
57.03438	14.0
57.07059	1.7
65.03909	2.3
67.05507	18.8
69.03443	3.5
69.07066	8.1
69.76698	4.4
70.06576	1.8
71.05005	3.6
72.08132	1.8
73.02888	2.5
79.05495	33.8
81.03425	5.0
81.07057	27.0
83.04985	7.3
83.08216	0.8
83.08617	8.2
85.02891	1.2
85.06525	1.9
89.06005	0.7
91.05482	12.9
93.07047	46.3
95.04965	8.5
95.08607	40.7
97.02399	1.0
97.02907	12.3
97.06538	5.3
97.10137	1.9
99.04459	3.8
103.05445	1.6
105.07041	10.1
107.04963	13.2
107.08598	33.5
109.02851	1.1
109.06496	3.2
109.10116	2.9
111.04470	4.5
111.08073	1.2
113.06006	1.1
115.05446	0.8
117.07017	11.3
119.08594	12.3
121.02888	7.1
121.06506	7.6
121.10151	13.9
123.08009	1.1
125.05964	2.6
125.09604	1.5
129.06923	1.3
130.07768	2.7
131.04883	1.1
131.08533	2.1
133.10136	4.4
135.08037	3.3
135.11697	47.2
139.03900	1.0
139.07523	1.6
143.08574	1.6
145.06453	1.4
145.10127	32.5
146.10384	0.8
147.08000	1.3
147.11618	0.8
149.09636	0.9
151.03925	7.5
151.05005	1.4
153.12701	2.3
155.08533	1.9
163.11180	67.4
173.09599	3.2
181.12253	15.6
191.10666	2.0
194.07242	0.9
195.08058	1.7
209.11726	9.2
223.07471	0.8
227.12782	100.0
228.13199	1.1
237.09306	0.9
240.07764	0.8
240.85831	0.8
283.06311	1.4
283.09891	5.7
283.15430	25.1
283.20566	2.6
296.80188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01873	4.0
55.05514	9.3
57.03442	10.7
57.07053	1.3
65.03920	1.2
67.05509	16.0
69.03394	1.9
69.07069	6.8
69.43404	3.8
70.06596	13.5
71.05005	2.7
71.06277	0.5
71.06931	3.6
72.08169	0.9
73.02910	1.1
79.05496	24.5
81.03419	3.9
81.07061	19.2
83.04994	5.2
83.08625	6.1
85.02888	1.7
85.06492	1.0
89.03916	1.7
91.05483	10.5
93.03368	0.5
93.07049	34.4
94.36532	0.5
95.04446	0.6
95.04978	7.5
95.08612	36.2
97.02895	7.1
97.06522	3.9
97.10137	1.0
99.04454	3.7
103.05454	1.3
105.04500	0.6
105.07030	8.0
107.04303	0.6
107.04965	10.5
107.08602	25.9
109.02869	0.9
109.06517	2.5
109.10166	2.9
111.04479	2.5
111.08087	1.2
113.06025	0.5
113.09629	0.6
115.05437	1.6
117.06213	0.9
117.07014	10.6
119.07813	0.6
119.08590	8.5
121.02876	4.9
121.06512	6.2
121.09316	0.8
121.10148	12.2
123.04420	0.8
123.08067	0.8
125.06018	2.5
127.03898	0.6
128.06148	0.8
129.06990	2.1
130.07828	2.5
131.04906	1.2
131.08563	1.5
133.10155	2.9
135.08066	2.5
135.11700	39.9
139.07544	1.5
141.06989	6.1
143.08589	1.2
145.06451	1.6
145.10127	24.2
147.04353	0.7
151.03888	3.4
152.06253	0.6
153.07039	0.8
153.12769	2.7
155.04906	0.8
155.08594	0.7
155.11916	0.5
155.13376	0.5
157.06470	1.2
163.11189	51.6
165.07066	0.6
166.07693	0.5
169.06502	4.8
171.08076	0.5
172.13792	0.5
173.09601	1.3
181.06462	1.4
181.12242	11.7
183.04433	3.0
183.11742	0.6
185.13257	0.5
191.10681	1.3
193.14384	0.5
195.07942	0.7
197.06004	10.4
197.13309	0.6
209.11662	1.7
221.47362	0.4
223.07565	0.9
225.05479	43.9
227.07069	2.5
227.12788	83.0
228.13098	1.0
242.61685	0.5
253.04967	30.8
254.05440	0.7
268.07336	1.0
283.06033	100.0
283.09433	3.6
283.15417	17.4
283.20416	4.4
283.24026	0.8
284.06284	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01874	7.3
55.05513	14.5
55.15063	1.3
57.03441	11.9
57.07072	3.8
65.03905	1.6
67.05167	2.0
67.05505	23.1
69.03404	2.5
69.07076	12.0
70.62077	3.2
71.04996	4.7
73.02866	1.6
79.05061	2.2
79.05493	29.2
81.03425	5.0
81.07057	26.0
83.04992	6.2
83.08616	7.9
84.73358	1.6
87.96028	1.1
89.06025	1.9
91.05483	12.4
93.06472	2.5
93.07046	46.3
93.92693	1.2
95.04967	8.7
95.08611	40.7
96.08942	1.7
97.02882	5.8
97.06524	4.2
97.10148	1.3
99.04440	4.2
103.05460	1.3
105.07029	12.5
107.04971	13.9
107.08598	29.7
109.06532	2.3
109.10142	3.7
111.04462	3.9
111.08096	2.3
117.07015	13.2
119.08585	14.0
121.06520	6.4
121.10150	17.5
125.05977	3.8
127.89439	1.2
129.07001	2.7
130.07826	2.2
131.08539	4.2
133.10149	4.8
135.08028	3.4
135.11690	48.6
139.07529	2.9
143.08543	3.6
145.06476	1.6
145.10133	36.0
149.09677	2.3
153.12727	2.6
155.08549	2.6
157.10126	1.9
163.11188	70.1
170.10899	1.3
171.11641	2.3
173.09590	3.0
173.13203	1.9
181.12245	17.9
185.13290	1.7
191.10648	2.0
191.25978	1.3
209.11673	5.1
227.12785	100.0
228.13094	2.2
230.15233	1.4
283.15384	25.0
283.20090	7.4
283.24130	4.6
283.31107	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0601
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
50.45392	0.2
55.01864	0.3
55.05499	0.6
57.03443	0.4
67.05502	1.0
68.99786	0.6
69.07055	0.5
70.06577	0.2
71.05006	0.2
79.05474	1.1
81.03409	0.5
81.07066	1.0
83.04963	0.9
83.08611	0.3
85.02909	0.2
89.03914	1.3
91.05455	0.8
93.07059	1.3
95.04964	0.4
95.08585	0.7
97.02888	1.3
97.06517	0.5
98.20804	0.6
105.03400	0.2
105.07034	0.6
106.88742	0.2
107.04944	0.3
107.08594	0.8
109.06555	0.3
109.10163	0.3
111.04446	0.7
111.08078	0.3
115.05457	0.7
117.07008	0.3
119.08584	0.4
121.02864	0.4
121.10142	0.5
129.06975	0.8
131.04935	0.2
135.11671	0.8
137.02322	0.5
141.07004	6.5
143.08582	0.2
145.06517	0.3
145.10114	0.5
147.04343	0.2
149.13135	0.3
151.03946	0.3
152.06223	0.4
153.06996	0.6
153.12747	0.6
155.04916	1.7
155.06062	0.3
155.08580	0.3
157.06465	0.8
163.11160	0.9
168.13889	0.5
169.06494	5.5
170.06976	0.2
173.09605	0.3
181.06473	1.1
181.12189	0.3
183.04425	3.0
187.14751	0.2
191.10622	0.3
193.04979	0.2
196.05133	0.3
196.13297	0.3
197.06001	11.5
198.14873	0.4
199.03905	0.2
200.47031	0.2
206.94020	0.2
209.05945	0.4
209.11719	0.7
224.04675	0.6
225.05478	42.5
226.05818	0.8
227.07053	2.3
227.12746	0.6
228.04172	0.3
253.04971	31.4
254.05374	0.5
255.06471	0.4
265.05173	0.3
283.06027	100.0
283.23746	0.4
284.06369	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	282.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03983	0.3
55.05502	0.5
57.03451	0.7
69.03426	0.5
69.07066	4.2
70.06606	2.3
70.25082	0.3
71.55101	0.5
72.08156	1.9
79.05483	0.6
81.03434	0.6
81.07075	0.5
84.04527	0.5
84.08152	1.0
85.02940	0.6
86.09720	1.1
88.03983	0.8
89.03917	2.2
91.05468	0.5
94.04022	0.9
97.02916	0.6
97.06542	1.3
102.05553	0.4
103.07578	0.4
107.04947	1.1
109.77963	0.4
117.03381	8.4
119.03547	2.4
120.04485	0.5
120.06573	0.5
120.08122	1.1
121.02859	2.0
121.08460	0.8
124.07573	0.9
129.09142	0.4
131.04970	0.4
134.03642	0.8
134.09682	1.0
135.04427	0.8
136.06194	100.0
137.04572	1.2
137.06659	3.8
145.02855	17.7
145.04012	0.9
147.04413	0.4
149.05998	2.7
150.07773	4.6
151.03807	0.5
161.61101	0.4
162.04129	2.4
163.04410	2.8
177.05479	28.8
178.05830	0.6
182.46750	0.4
206.11839	0.5
246.13268	0.5
250.13008	21.6
256.57288	0.4
268.00290	0.4
282.10583	1.1
282.15616	43.1
283.16040	0.6
284.02963	0.8
300.06308	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05519	1.6
56.05042	0.8
59.04978	1.1
60.04527	13.7
65.03942	0.7
69.03424	1.0
69.07079	1.3
69.94147	3.3
70.02958	4.2
70.06612	3.9
71.04986	0.7
72.08166	5.2
73.08486	1.1
79.05502	1.4
81.03430	1.0
81.07043	0.8
83.04984	1.0
83.08647	1.1
84.04505	1.7
84.08136	2.7
85.02907	0.9
86.09698	2.7
88.03999	62.9
89.03921	1.0
91.05505	1.0
95.04961	0.9
96.08230	0.7
97.02901	2.2
98.21544	0.8
102.05549	100.0
107.04963	95.6
108.08109	1.2
109.02888	0.9
113.02385	1.5
113.63704	0.7
114.10368	0.8
117.03388	5.5
118.01276	1.7
120.04462	2.2
120.08101	1.3
121.02902	2.4
121.06464	0.9
130.05022	2.5
134.09705	1.1
136.06223	2.0
136.07608	1.1
145.02869	10.2
148.06056	61.7
149.06017	1.5
150.07729	0.9
152.05719	2.1
152.06972	0.8
163.03920	1.1
164.01790	1.5
165.02213	1.7
177.05489	20.0
178.07286	2.2
180.10207	1.3
209.10556	1.4
217.67728	0.8
218.11887	1.1
222.07640	1.7
225.63083	0.8
236.09213	4.6
238.14359	4.5
250.07396	0.7
264.08777	1.2
265.11218	1.2
277.43768	0.7
279.06213	0.9
282.09851	2.3
282.12711	1.0
282.17200	5.7
282.22284	1.5
300.06271	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2224
Annotation	Methyl aphyllate
Peak:m/z	Relative Intensity
53.03953	0.8
55.01878	0.5
55.05512	6.2
57.03437	1.5
58.48291	0.5
65.03935	0.6
67.05508	6.6
68.05025	1.9
69.07069	1.8
69.42822	2.7
69.43248	1.8
70.06591	2.5
72.08157	100.0
72.19875	0.5
74.17314	0.5
79.05495	6.9
80.05019	23.7
80.05490	1.2
81.03423	1.2
81.07062	4.5
83.04973	2.8
83.08639	2.6
91.05491	4.3
93.05804	0.8
93.07058	4.0
94.06582	1.7
95.04978	1.9
95.08623	3.0
96.04527	0.6
97.06545	0.7
97.10159	1.5
98.21603	0.7
105.07017	2.9
107.04935	1.4
107.08612	1.4
109.06533	0.6
117.07014	1.1
119.08603	2.0
120.08108	1.7
121.08891	1.5
121.10175	0.7
122.09675	23.0
123.08055	0.6
128.55771	0.6
129.07053	1.3
131.08571	0.6
133.10146	1.3
134.09648	12.4
135.10468	0.9
136.11198	1.6
145.10107	0.6
147.11728	1.5
148.11159	0.8
149.05954	0.6
158.10794	0.5
160.26451	0.6
161.13281	1.2
171.11729	2.5
174.12798	2.1
180.29901	0.5
192.13861	10.3
194.15477	1.3
207.13591	0.5
210.14905	25.9
211.15109	0.7
212.16449	2.3
219.51210	0.6
226.91249	0.5
228.17284	0.6
246.18503	9.8
263.21280	1.9
264.19601	46.0
265.19763	0.6
281.17267	1.7
281.22241	64.8
285.14911	0.6
285.18161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0973
Annotation	4-Hydroxyphenylacetylglutamic acid
Peak:m/z	Relative Intensity
51.50909	0.6
53.03935	1.3
55.01873	0.8
55.05510	2.6
60.04531	11.9
67.05495	0.8
69.07076	1.4
70.02952	3.4
70.06580	4.8
71.55100	0.9
72.08164	4.5
79.05499	1.8
81.03434	1.5
81.07065	1.0
82.06615	1.1
83.08644	1.2
84.04504	1.4
84.08141	3.2
84.08968	0.9
85.02865	0.8
85.04181	0.7
86.09708	1.9
88.03993	61.2
89.03906	1.2
91.05484	1.5
95.04952	1.3
96.04491	0.8
97.02879	1.8
97.06561	0.8
98.06111	0.9
102.05544	100.0
106.07455	0.6
107.04958	97.3
107.08605	1.0
108.08164	1.4
109.02917	1.0
110.07092	0.9
111.04412	0.8
116.07169	0.7
117.03416	3.8
118.01274	0.7
119.08640	0.7
120.04491	2.0
120.08120	1.1
121.02872	2.0
124.07592	0.9
129.10219	1.3
130.05017	1.3
130.08688	0.7
134.09676	1.1
136.06198	1.8
136.07579	0.8
145.02858	9.5
147.04343	0.9
148.06056	63.3
149.05978	1.2
150.07823	1.0
150.09151	0.7
152.05690	2.3
152.07054	1.0
158.12688	0.7
162.05460	1.6
163.03787	0.8
164.01677	1.7
165.02122	1.7
177.05484	16.2
178.07289	2.2
180.10110	1.1
193.17813	0.7
209.10457	1.7
222.07660	2.6
236.03792	0.7
236.09241	4.8
238.14359	3.9
250.07153	1.2
254.94807	0.7
264.08575	1.3
264.12421	0.8
282.07678	1.0
282.13425	1.1
282.17068	4.0
282.22147	2.4
282.26038	1.6
300.06079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03939	7.8
55.05287	3.1
55.05515	29.4
57.03439	31.9
57.07058	6.1
59.02932	2.9
65.03927	4.7
67.05511	99.3
67.63412	3.2
69.07077	19.9
71.04986	5.1
76.75384	3.0
79.05500	100.0
80.00546	3.1
81.03404	10.8
81.07067	77.9
83.04993	31.9
83.08611	11.9
85.06548	4.5
91.05486	70.6
93.07048	72.7
95.04974	31.1
95.08609	47.4
97.06519	6.7
97.10181	8.5
105.06383	5.0
105.07042	58.5
107.04964	6.5
107.08592	16.6
109.06492	6.5
109.10162	10.6
117.07014	10.8
119.08596	31.9
121.06485	5.2
121.10138	7.8
123.08045	10.9
128.06262	3.9
129.07037	16.7
131.08578	4.9
133.10124	16.3
135.11685	4.2
139.29185	3.2
143.08517	11.0
145.10123	12.6
147.11705	37.9
161.13258	16.8
171.11726	34.5
189.12752	8.6
199.31636	3.7
207.13808	11.6
251.10828	4.8
281.17596	34.5
281.22394	5.7
299.06262	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	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.0
55.01876	4.6
55.05517	34.7
57.03442	33.0
57.07064	3.0
58.62511	0.9
63.30272	0.9
65.03944	5.5
67.05509	89.8
69.03432	2.2
69.06726	1.5
69.07072	18.4
71.04978	2.9
72.08154	1.9
73.06532	2.1
77.03902	2.2
79.05499	100.0
81.03419	12.3
81.07063	66.8
83.04990	33.6
83.08632	8.8
85.06527	3.9
91.05487	64.5
91.05928	0.8
93.07051	74.9
95.04975	29.4
95.08611	46.5
95.09082	0.7
95.09234	1.0
97.02931	1.2
97.06529	6.9
97.10181	5.6
99.08096	1.1
103.05436	2.4
105.04529	2.1
105.07037	50.4
107.04967	6.0
107.08606	19.6
109.06529	10.1
109.10152	7.6
111.08080	3.0
113.06030	1.1
113.09740	1.0
113.93707	1.1
115.05473	2.2
117.07024	11.8
119.04986	1.1
119.08589	33.3
121.06499	3.0
121.10136	6.0
123.08088	10.6
123.11729	1.0
127.07497	1.0
128.06207	3.7
129.07021	19.2
130.07701	1.0
131.08554	4.0
133.10130	15.1
135.08028	1.9
135.11685	3.6
137.09613	1.5
137.13170	1.0
141.07030	1.3
143.08597	12.0
145.10121	12.8
147.08034	3.8
147.11699	43.4
149.13289	1.1
156.09363	1.2
157.10135	1.2
161.09590	4.6
161.11978	1.3
161.13260	18.3
163.11209	3.0
169.10095	1.3
171.11703	31.6
179.14281	1.3
189.12778	12.1
207.13866	12.1
207.15752	1.6
263.16431	1.9
281.12592	1.7
281.17465	40.4
281.22528	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03946	8.1
55.01881	5.3
55.05516	35.6
57.03442	33.3
57.07075	1.7
65.03947	4.0
67.05510	89.4
69.03419	2.8
69.07071	17.3
70.73650	3.8
70.74022	1.2
71.04990	2.9
71.97245	1.3
72.08163	1.6
73.06566	1.8
79.05499	100.0
81.03426	13.8
81.07063	64.1
83.04980	31.4
83.08638	10.5
83.44458	1.3
85.06544	4.9
91.05487	72.8
93.07053	74.8
95.04971	25.5
95.08614	42.6
95.09233	1.4
97.06554	7.3
97.10181	5.5
103.05493	2.3
105.04516	3.2
105.07042	56.3
107.04975	7.7
107.08598	24.3
109.06540	7.7
109.10164	9.4
111.08067	3.0
117.07043	10.9
119.08587	32.7
121.06533	4.6
121.10145	6.5
123.08076	10.8
128.06230	3.0
129.07007	18.6
131.08615	4.1
133.10129	15.5
135.07973	2.5
135.11736	3.4
137.75127	1.4
143.08614	9.5
145.10153	11.3
147.08107	1.9
147.11703	45.6
156.09256	1.9
159.11720	2.1
161.09650	3.3
161.13283	15.4
163.11151	1.9
171.11696	31.1
183.14946	1.5
189.12798	10.1
207.13802	12.3
263.16199	1.8
281.17459	32.2
281.22415	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	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.1
53.03951	7.5
55.01886	5.4
55.05515	34.6
57.03440	32.7
57.07074	1.4
59.05004	1.1
65.03943	5.4
67.05508	90.1
69.03432	3.7
69.07070	18.4
70.06606	1.8
71.04999	4.9
71.55577	1.3
72.08158	48.0
73.06569	2.3
75.38365	1.0
77.03925	1.2
79.05496	100.0
80.05016	7.8
81.03419	12.7
81.07059	62.8
83.04485	2.1
83.04984	33.2
83.08618	10.4
85.02892	1.6
85.06533	4.5
87.04495	1.1
91.04903	1.5
91.05483	62.9
93.07047	75.9
94.06575	1.5
95.04972	25.8
95.08607	41.7
97.02889	3.7
97.06543	7.3
97.10137	5.4
99.08100	1.6
103.05446	1.7
105.04554	1.5
105.07035	52.5
107.04964	6.6
107.08601	23.8
109.06529	9.0
109.10165	9.8
111.04494	1.3
111.08083	3.1
115.05452	2.0
116.98643	0.9
117.07018	10.7
119.08587	30.3
121.06538	4.9
121.10143	7.1
122.09682	9.6
123.08074	10.7
123.11701	1.4
125.09602	1.5
126.15971	1.0
127.07538	1.7
128.06235	4.4
129.07010	17.7
130.07834	1.7
131.08617	5.9
133.06509	1.7
133.10143	12.5
133.21005	0.9
134.09656	6.3
135.08076	2.0
135.11723	4.1
137.09630	1.2
137.13297	1.1
139.07523	1.5
143.08585	10.4
145.06497	1.1
145.10129	12.7
147.08051	3.6
147.11696	44.6
148.11157	1.1
149.13283	1.5
151.11121	1.2
155.08653	1.3
156.09422	1.9
157.10202	1.5
159.11639	1.8
161.05954	1.2
161.09648	5.5
161.13258	14.7
163.11212	2.3
165.09100	1.7
169.10178	1.3
171.11710	27.6
189.12746	11.5
190.15292	0.9
192.13841	3.6
194.13780	1.0
207.13835	12.5
210.14915	11.8
213.73199	1.1
221.09833	1.1
222.29118	1.1
238.22690	0.9
246.18542	5.5
256.28000	1.0
263.09006	2.4
264.19611	19.9
281.08112	3.0
281.11847	3.2
281.17526	33.1
281.22302	28.8
281.25189	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99935	1.4
53.03954	9.0
53.04179	1.6
55.01860	5.0
55.05273	1.8
55.05515	27.9
57.03440	31.5
57.07066	3.3
64.85483	1.2
65.03928	4.5
66.82896	1.6
67.05507	81.7
69.07066	18.0
69.90304	7.7
71.04986	3.4
72.08158	2.0
73.06526	1.8
75.05891	1.5
77.03857	1.9
77.42381	1.3
79.05497	100.0
81.03416	12.5
81.07060	62.2
83.04987	32.6
83.08612	8.6
85.02898	1.8
85.06546	3.4
91.05483	62.8
93.07047	70.8
95.04970	28.8
95.08611	38.6
95.09228	1.9
97.02864	2.0
97.06519	6.2
97.10176	3.9
100.22662	1.5
105.04527	2.6
105.07035	50.7
105.53821	1.5
106.15044	1.4
107.04958	8.1
107.08579	18.6
109.06537	7.0
109.10146	8.6
111.08060	2.8
117.07013	12.2
119.08591	31.2
121.06490	2.8
121.10139	6.3
123.08059	7.7
127.07511	1.8
128.06207	3.2
129.07005	19.3
131.08560	5.4
133.10130	15.1
135.11647	4.3
143.08546	12.3
145.10130	10.5
147.07999	5.0
147.11690	40.2
156.09337	2.1
161.09602	5.9
161.13303	13.5
171.11687	30.8
189.12787	12.4
207.13843	10.5
261.10141	1.4
281.04495	4.1
281.08252	2.0
281.17435	38.1
281.22546	4.5
299.06201	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.2
55.01871	10.8
55.05509	6.2
56.05020	3.1
57.03427	7.3
58.06589	4.5
59.98916	2.7
61.02921	16.2
67.05499	8.9
69.03438	24.3
69.07065	4.6
70.06594	17.9
71.04992	5.8
71.22039	5.5
72.08159	45.6
73.02912	18.3
73.04749	4.0
78.83745	3.3
79.05502	10.6
81.03423	14.3
81.07055	6.6
83.04989	3.4
84.04482	9.2
84.08144	19.3
85.02921	18.9
85.06547	9.0
86.09712	11.0
88.03974	4.7
88.07635	51.1
91.05433	20.0
93.07063	5.8
95.04967	19.6
95.08607	9.2
97.02902	18.1
97.06546	2.9
98.06065	10.1
102.05529	4.3
103.03929	24.1
103.05476	11.1
105.03428	3.7
105.07033	24.7
107.04963	66.3
107.08556	4.5
109.02882	6.2
109.10126	6.3
110.06064	6.8
110.07141	3.0
111.64539	2.9
115.05457	9.2
117.05519	3.5
117.07029	12.4
119.04945	31.6
119.08571	9.2
120.08106	16.3
121.02872	17.8
121.06507	22.2
123.04421	82.1
123.07965	7.1
124.04805	4.4
124.07484	3.2
127.03890	3.3
128.06232	8.8
128.07094	3.9
129.07007	7.3
129.10210	5.5
130.04976	5.6
130.06540	3.9
131.04927	33.8
131.08502	3.4
132.05688	4.2
133.06499	78.1
135.04372	4.5
136.06194	52.1
136.07622	6.4
137.02316	14.8
137.04631	4.3
137.05954	6.2
138.09119	6.1
139.03894	6.1
140.07053	4.7
141.05525	4.0
141.07089	3.1
142.04944	3.3
143.04939	4.2
143.08566	3.5
145.06461	38.2
147.04408	69.0
147.08072	29.7
149.02327	7.1
149.06001	24.8
151.02850	3.5
151.03973	5.8
152.07094	6.4
152.46954	3.0
153.07027	7.0
155.06044	7.4
157.06491	41.2
159.04422	27.3
159.08066	8.4
160.05231	7.4
161.05981	100.0
161.07251	6.5
161.10736	4.1
162.04126	32.5
162.11531	7.5
163.03934	6.0
163.07463	5.2
165.05478	25.6
167.07034	3.0
169.04953	4.4
169.06392	3.2
171.05577	5.5
171.08044	18.2
173.05998	76.5
173.09346	3.1
175.03990	5.4
175.07561	19.8
177.05463	48.7
181.06410	14.6
185.06007	30.8
187.07561	10.7
189.05475	6.3
189.09038	4.1
191.07033	15.0
193.08510	3.4
193.35918	3.6
197.06015	4.3
199.07552	36.6
201.05455	9.3
203.07033	22.0
210.14952	6.3
214.11058	5.9
215.06996	5.2
217.05020	5.2
217.08635	10.4
217.13478	5.0
219.06491	4.7
221.08081	31.8
227.07068	13.8
233.08054	4.3
235.14235	4.0
237.09119	7.5
245.08128	16.6
245.12822	8.2
253.08633	3.9
263.09430	4.3
263.13925	12.1
266.99954	11.9
281.05737	7.5
281.10172	27.3
281.14935	47.2
281.18369	4.3
281.22250	13.0
283.03009	11.9
299.06180	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03954	11.0
55.01865	4.8
55.05266	2.4
55.05515	35.0
55.28770	1.3
57.03440	36.0
57.07070	2.0
65.03944	6.3
67.05508	87.8
67.19605	1.3
69.03424	2.8
69.07068	16.0
70.21559	6.0
71.04992	3.5
73.06542	2.4
79.05496	100.0
81.03422	14.3
81.07063	64.5
83.04988	35.1
83.08635	10.6
83.86235	1.3
85.06544	4.0
89.02293	1.4
91.05487	67.6
93.07050	76.6
95.04977	27.6
95.08055	2.6
95.08617	41.3
97.06543	5.7
97.10177	5.8
99.66802	1.6
103.05488	1.9
105.04557	2.3
105.07038	50.9
107.04939	6.5
107.08599	20.4
109.06515	9.3
109.10166	9.9
115.05519	2.0
117.07019	11.4
119.07809	1.6
119.08591	24.5
121.06503	2.4
121.10128	7.1
123.08047	11.5
123.24659	1.5
125.09642	1.4
127.07556	1.5
128.06219	3.0
129.07001	17.9
131.08595	3.0
133.06502	1.6
133.10149	11.3
135.11703	3.6
136.68037	1.6
143.08592	9.2
145.10118	14.3
147.07997	3.3
147.11691	42.2
161.09599	5.2
161.13240	15.9
163.11282	2.1
171.11699	31.9
179.14146	1.7
189.12778	10.6
207.13795	10.5
209.65434	1.4
281.17456	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01431	0.1
56.05038	1.0
57.03433	0.1
68.56255	0.1
69.49760	0.4
69.50171	0.4
70.06590	0.3
72.08150	0.4
74.06081	1.7
79.05508	0.1
81.03419	0.3
81.07070	0.1
83.28509	0.1
84.04507	0.4
84.08127	0.2
86.09724	0.2
88.04050	0.1
88.04728	0.1
91.05474	0.2
94.04047	0.4
95.04950	0.1
99.04436	0.1
102.05550	1.0
107.04974	0.3
109.02898	0.1
109.05121	0.1
112.87794	0.1
115.05473	0.1
115.33164	0.1
119.03551	5.1
119.08612	0.1
120.06590	5.9
130.05017	0.1
135.04472	0.7
136.06192	100.0
137.02364	0.1
137.04591	3.6
137.06509	0.4
145.02838	0.1
152.07057	0.1
162.04117	51.8
163.04416	0.2
168.06529	0.2
172.47064	0.1
177.05489	0.1
183.07898	0.1
263.09286	0.1
263.13937	0.1
264.08731	0.1
266.99991	0.2
281.09949	8.8
281.14963	0.6
281.22095	0.2
299.06177	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	281.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	11.6
57.03442	7.1
61.02936	4.6
67.05517	2.5
69.03429	2.7
69.07076	4.2
70.06597	5.5
70.75997	6.0
71.01334	2.7
72.08157	4.9
73.02930	4.2
75.37107	2.1
79.05508	4.3
81.03418	5.4
81.07036	3.6
85.02929	5.8
86.09769	2.9
91.05460	14.6
93.03442	2.8
93.07047	2.3
94.24983	2.2
95.04986	18.9
97.02899	20.0
103.04000	3.1
103.05491	5.0
105.07031	21.4
107.04952	61.7
107.05610	4.4
110.02819	2.4
115.05457	3.2
117.07067	6.4
119.03558	4.0
119.04944	29.9
119.08648	3.4
120.06624	4.2
120.08131	9.6
121.02871	19.6
121.06509	12.7
123.04437	100.0
123.07967	4.3
128.06255	5.1
129.07065	3.9
131.04935	28.8
133.06502	86.8
134.94911	2.5
135.04416	2.3
136.06190	55.2
139.03886	11.6
141.06956	3.1
143.08556	4.0
144.05740	3.5
145.02905	2.9
145.06480	33.1
147.04413	41.1
147.08040	26.3
149.05971	18.3
151.07509	3.7
152.06244	3.2
153.07019	5.5
155.06052	4.5
155.84698	2.4
157.06487	36.2
159.04416	25.6
159.08025	7.1
160.05212	8.2
161.05984	33.6
162.04114	28.4
165.05466	34.6
166.08609	2.4
171.08043	18.5
173.05989	51.8
173.07338	2.0
175.07559	29.5
177.05482	39.1
181.06540	9.5
182.02802	4.6
185.04538	3.6
185.05956	18.2
187.07603	8.0
189.05458	3.0
191.06998	11.0
199.07536	46.6
201.05544	9.4
201.09213	2.5
203.07007	22.4
209.03839	9.9
212.70372	2.5
213.96196	2.7
215.07196	4.3
217.08542	16.9
218.89372	2.6
221.08096	38.4
227.07068	15.1
227.18501	2.2
233.08200	4.1
235.05467	7.0
235.09473	2.5
245.08101	24.8
263.09344	3.2
281.05911	19.7
281.10141	15.3
281.14969	2.3
283.03253	2.5
299.06250	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	280.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
55.05510	1.4
56.05848	0.5
57.07069	0.5
57.93178	0.2
58.99592	0.6
59.04996	0.5
61.02920	1.0
61.62789	0.2
70.06596	1.4
70.83130	0.3
71.04991	1.4
71.31869	0.3
72.08157	1.1
79.05494	0.9
79.42422	0.2
81.07069	2.6
83.08620	0.8
84.08156	0.7
84.08967	0.6
86.09707	0.8
86.99066	0.6
91.05481	0.4
94.04091	0.6
97.02919	1.3
98.09698	0.3
101.01822	0.2
101.09592	0.2
105.07005	0.3
109.05122	3.2
116.01701	1.4
116.10766	0.7
117.02017	0.5
118.08627	0.5
119.03535	0.4
119.04922	0.4
120.08099	0.4
121.02869	0.3
123.06683	0.5
123.08101	0.2
130.06555	0.4
133.04126	0.3
133.05104	2.9
135.05382	0.5
136.04015	0.4
137.04626	0.4
138.09111	0.3
144.01143	0.4
145.01479	0.4
145.02785	0.4
147.04401	0.8
149.02361	1.8
150.02716	1.9
150.07758	100.0
151.08043	0.3
162.02196	1.9
163.02525	1.4
163.03899	0.9
163.35971	0.3
164.09448	0.3
166.07304	0.3
166.08615	0.3
169.27690	0.3
173.77802	0.2
177.05528	0.3
178.05119	0.3
210.01649	0.2
222.09151	0.3
248.15083	27.7
262.10684	0.5
263.11310	0.6
280.17691	50.8
281.17868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03946	0.7
55.05513	8.9
57.07069	1.7
65.03946	3.3
65.04241	0.6
67.05507	99.9
67.87984	0.6
69.07067	8.6
69.63999	0.5
69.64342	4.1
69.64735	1.1
71.04984	1.4
71.08640	0.8
79.05495	13.0
81.07058	100.0
83.08621	3.3
84.85497	0.6
85.06538	1.5
91.05480	3.6
93.07050	12.2
95.04971	0.9
95.08609	75.5
97.06556	1.1
97.10171	2.1
105.07040	2.4
107.08597	7.2
109.06521	0.8
109.10158	24.8
111.08097	0.9
117.07007	1.7
119.08605	2.6
120.24895	0.6
121.10138	5.8
123.08092	1.4
123.11701	14.1
127.07591	1.2
131.08588	5.0
133.10129	2.4
135.11725	6.2
137.09637	1.1
137.13258	11.4
141.12793	0.8
145.10133	2.7
147.11703	2.7
149.02373	4.1
149.09660	1.7
149.13293	2.4
151.11223	0.9
151.14792	4.6
153.09157	0.7
159.11719	3.0
161.13274	1.9
163.11258	1.1
163.14815	1.5
165.16438	0.6
173.13284	6.5
177.12762	2.6
181.12245	1.3
187.14832	2.6
191.14308	1.5
195.13838	2.9
205.15887	1.3
209.15324	3.3
223.16905	1.8
243.21077	1.6
261.22137	2.9
279.20322	1.1
279.23209	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03942	0.9
55.05514	8.3
57.07070	2.4
57.89797	0.8
60.32774	0.7
60.72499	0.7
64.34527	0.7
65.03954	2.5
67.05508	100.0
69.07076	7.9
69.23248	1.6
69.23652	6.8
71.05004	1.5
71.58824	0.6
71.69698	0.7
74.90233	0.8
79.05491	10.4
81.07062	91.1
82.28658	0.8
83.04984	1.4
83.08609	3.6
85.06564	1.1
91.05489	2.7
93.07056	9.0
95.08613	65.3
97.06539	0.9
97.10197	1.6
105.07041	2.4
107.08611	6.2
109.06549	0.8
109.10164	35.9
117.06975	1.2
119.08581	1.6
121.10134	6.1
123.08087	1.7
123.11717	21.8
123.12583	1.6
124.12044	0.8
131.08585	2.5
133.10155	1.7
135.08092	0.8
135.11717	3.6
137.09644	0.9
137.13286	6.9
145.10170	1.9
147.11710	1.4
149.02348	6.3
149.09552	1.0
149.13292	2.1
150.26649	0.9
151.14879	1.0
152.69670	0.7
159.11670	1.5
163.11179	1.3
163.14812	1.9
167.10672	0.9
173.13268	2.7
187.14862	1.5
195.13779	0.9
205.15895	1.6
209.15369	1.7
223.17041	1.7
237.18680	1.3
243.21118	1.2
261.22198	2.2
263.08804	0.7
279.09265	0.9
279.23209	26.2
279.98099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03942	0.9
55.01878	0.7
55.05513	11.1
55.90740	0.6
57.03436	1.5
57.07079	3.9
65.03939	3.1
67.05506	96.1
69.07070	10.5
69.07342	0.3
69.33593	1.5
69.34015	2.1
71.02309	0.4
71.04981	1.1
71.08634	0.7
79.05492	11.8
81.07059	100.0
82.07389	0.6
83.04974	0.9
83.08612	4.9
85.06537	1.6
91.05477	5.0
93.07053	12.8
95.04973	1.1
95.08609	77.7
95.81777	0.4
96.08945	0.6
97.06538	1.4
97.10176	3.4
99.08052	0.5
105.07052	3.2
107.08597	8.7
109.06544	1.1
109.10160	46.5
109.32701	0.4
111.08080	1.4
111.11727	0.8
113.06025	0.6
117.07037	1.8
119.08610	3.5
121.02863	0.8
121.06471	0.6
121.10151	7.5
123.08085	1.4
123.11717	27.0
125.09590	0.9
127.07518	0.6
131.08566	3.2
133.10150	2.8
135.08034	0.8
135.11708	5.5
137.09595	1.2
137.13264	8.9
139.11197	0.5
145.10121	3.3
147.11684	2.5
149.02339	9.8
149.09627	1.6
149.13245	3.0
151.11244	0.9
151.14804	2.2
153.09042	0.7
159.11699	2.3
161.13260	2.0
163.11211	1.6
163.14813	2.1
165.12758	1.1
165.16383	0.7
167.10651	0.6
173.13254	3.2
175.14923	0.5
177.12737	1.5
177.16414	1.2
179.14290	0.9
181.12213	1.3
187.14850	2.4
191.14313	1.7
195.13780	2.4
201.16350	0.8
205.16025	1.2
209.15347	2.2
219.21043	0.8
223.16908	2.7
237.18462	1.4
243.21004	2.2
261.22174	3.9
279.19714	3.9
279.23184	37.6
280.23273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03948	1.3
55.05514	9.0
57.03448	1.0
57.07070	4.5
63.14459	0.5
65.03951	3.1
67.05508	100.0
68.05834	1.0
69.07073	9.6
71.05029	2.1
79.05498	14.5
81.07063	98.0
82.07390	0.9
83.05001	1.0
83.08626	5.6
85.06534	1.7
91.05489	4.7
93.07049	12.8
95.04990	1.5
95.08612	82.6
97.06538	1.5
97.10162	2.4
99.08088	0.8
105.07031	5.0
107.08604	9.5
109.06559	0.9
109.10162	47.8
110.10475	0.7
111.08090	1.0
117.07006	1.5
119.08585	5.0
121.02893	0.9
121.06503	0.6
121.10132	8.3
123.08092	0.6
123.11715	24.8
125.09619	0.8
129.05574	0.7
131.08575	3.9
133.10153	3.4
134.18805	0.5
135.08080	1.0
135.11703	5.3
137.09647	2.2
137.13264	10.2
141.09157	0.7
145.10110	3.0
147.11697	3.0
149.02353	17.5
149.09637	1.7
149.13258	3.2
149.78366	0.5
151.01814	0.5
151.11209	0.8
151.14836	2.8
159.11691	2.5
161.13281	1.9
163.11153	1.5
163.14835	2.5
165.12723	1.2
167.10692	1.1
173.13283	3.8
175.14815	0.8
177.12761	2.1
177.16379	1.1
179.14340	1.0
181.12180	1.2
187.14821	2.5
188.62752	0.5
191.14339	1.7
193.16168	0.5
195.13831	2.4
201.16510	0.8
205.15869	1.1
209.15369	3.1
219.21152	0.8
223.16904	3.3
237.18466	1.3
243.18803	0.6
243.20976	3.5
261.22079	3.7
279.09219	1.2
279.13376	0.9
279.19968	1.7
279.23212	38.4
291.94272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.5
55.05516	6.3
56.16378	1.2
57.03419	1.6
57.07079	13.2
58.27233	1.3
65.03924	2.0
67.05168	1.7
67.05502	18.5
69.03424	2.4
69.07069	7.2
70.73947	3.7
71.04980	1.4
71.08584	1.2
71.98806	1.2
78.90272	1.2
79.05501	12.9
80.05830	1.9
81.03419	2.8
81.07057	34.1
83.04983	3.3
83.08633	2.7
85.02885	2.5
85.06535	1.8
91.05470	12.2
93.07043	21.6
93.23829	1.4
94.07368	3.4
95.04962	3.8
95.08609	22.0
97.06533	2.7
99.41238	1.3
101.87263	1.1
105.06387	2.1
105.07034	24.5
107.04940	1.7
107.08596	20.9
108.08920	1.5
109.06506	4.1
109.10148	8.0
111.08073	2.2
117.06997	4.6
119.08580	16.4
121.02872	4.5
121.06461	1.6
121.10131	13.1
123.08060	2.7
123.11674	2.6
125.09576	1.4
129.06999	1.4
131.08589	9.8
133.10149	9.7
135.08096	1.8
135.10777	1.2
135.11671	6.3
137.09628	1.5
143.08554	2.3
145.10138	15.5
147.04410	2.7
149.02347	100.0
149.09622	2.8
149.13257	6.0
151.11212	3.0
157.10147	1.8
159.11717	11.8
161.13269	16.8
163.11186	3.3
163.14847	2.5
173.13234	3.4
192.98601	1.5
201.16409	7.6
203.39058	1.1
219.05638	1.6
219.17365	5.2
233.15419	1.8
243.11334	1.9
279.09393	3.0
279.16318	1.2
279.19449	2.6
279.22589	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	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.08381	0.5
53.03941	1.7
54.20414	0.5
55.01883	0.6
55.05511	8.8
57.03437	1.3
57.07075	8.7
63.82761	0.5
65.03948	3.0
67.05506	88.8
68.05822	0.6
69.07069	12.2
70.12885	0.8
70.13235	2.7
71.04986	1.9
71.08626	0.8
79.05492	15.8
81.03411	0.9
81.07059	100.0
82.07416	0.8
83.04987	1.9
83.08630	7.1
85.06530	1.7
91.05492	7.7
91.84007	0.6
93.07047	16.3
95.05033	1.3
95.08610	82.7
97.06526	2.2
97.10151	4.1
99.08103	1.3
105.07031	5.5
107.08596	10.9
108.68779	0.6
109.06522	1.6
109.10162	47.3
111.08064	0.8
111.11697	1.3
117.07018	2.5
119.08598	5.3
121.02865	1.9
121.06503	1.0
121.10149	10.0
123.08057	2.3
123.11712	23.1
129.07011	0.8
131.08563	5.8
133.10124	4.5
135.08043	1.6
135.11674	5.9
137.09599	1.6
137.13254	8.4
143.08525	0.9
145.10150	5.3
147.11670	4.2
149.02350	46.1
149.09619	2.0
149.13229	4.1
151.11172	2.0
151.14830	2.7
159.11690	3.8
161.13281	4.2
163.11183	1.7
163.14828	1.4
165.12778	1.3
165.16364	0.9
167.03400	1.0
167.10689	1.3
169.10080	0.7
173.13202	4.1
175.14842	1.3
177.12773	2.4
177.16408	1.4
179.14331	1.8
181.12276	2.0
187.14818	4.1
191.14314	2.1
195.11880	0.6
195.13812	2.9
201.16458	1.0
205.15865	1.4
209.13452	0.8
209.15326	2.8
219.05827	0.9
219.21135	1.1
223.16823	3.3
237.18507	1.1
243.21109	6.0
261.18317	0.7
261.19550	0.6
261.22141	5.4
279.09320	2.5
279.19809	3.4
279.23212	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	279.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01945	0.6
55.05514	37.6
57.07060	1.0
58.99586	20.9
61.01146	0.8
66.34455	0.6
69.56578	1.9
69.57004	2.2
73.01132	1.7
76.02235	6.3
76.04006	3.7
83.08624	32.0
86.99059	15.9
88.02219	4.6
98.57921	0.6
101.09663	1.8
106.22461	0.6
116.01682	59.4
129.07372	0.7
144.01147	27.2
149.02374	5.8
159.08397	9.4
162.02214	100.0
244.10106	1.3
262.11105	18.8
275.88281	0.6
279.13632	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.8
57.05823	0.3
57.06859	0.3
57.07082	3.4
65.03938	0.5
67.05500	0.6
67.59707	0.4
67.69984	0.3
69.03435	0.4
69.07070	12.5
69.86202	1.7
70.06578	0.8
72.07810	0.4
72.08149	2.3
77.30429	0.3
79.05484	0.6
81.07063	1.0
84.08155	0.5
85.02916	0.8
86.09709	100.0
87.10050	0.5
91.05502	1.5
93.07053	0.7
95.04987	0.4
95.08608	0.7
97.02890	0.6
105.07019	0.7
105.27451	0.4
107.04980	0.6
107.08563	0.7
109.02836	0.5
110.06073	0.5
116.98677	0.5
119.04972	0.5
119.08569	0.5
120.08118	8.3
120.08952	0.8
121.02876	1.5
124.07620	0.6
131.08601	0.7
133.06503	0.4
137.05972	0.4
145.10138	0.4
146.05965	0.3
147.04404	2.5
149.02348	23.0
161.09563	0.4
166.08643	5.0
167.03427	0.6
177.05478	0.5
208.16959	0.5
261.09366	0.4
261.12326	0.6
261.14874	0.8
279.06589	0.7
279.10187	0.5
279.13843	0.7
279.17062	2.9
279.20013	0.4
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	Leu Phe
Peak:m/z	Relative Intensity
57.07075	1.5
58.45134	0.3
62.39469	0.3
69.03408	0.3
69.07065	0.9
69.43674	1.7
69.44089	0.7
70.06612	0.5
72.08159	0.7
72.70461	0.3
81.07056	0.6
86.09711	100.0
87.10088	0.3
91.05478	1.2
93.07033	0.8
95.05000	0.4
98.51266	0.3
99.04466	0.8
103.05486	2.7
105.07037	0.4
107.05001	0.5
108.88273	0.4
120.08115	50.5
121.02897	0.7
121.10143	0.4
122.09727	0.5
122.37303	0.3
132.10217	1.0
133.06586	0.4
133.10234	0.3
136.07582	0.8
138.09175	0.4
147.04445	0.6
149.01147	0.6
149.02359	12.0
154.08647	0.5
155.83855	0.3
160.05205	0.3
163.03857	0.3
166.08652	9.9
195.17409	0.3
233.16457	1.5
279.17029	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	1.7
71.54105	0.7
81.03381	0.6
88.07631	1.0
98.09722	0.7
98.54619	0.6
101.00891	0.8
102.00990	1.7
109.02876	1.0
116.10738	84.1
119.01936	1.7
120.01965	2.5
134.03580	0.5
138.02997	0.5
144.02022	0.7
147.80037	0.5
155.70383	0.4
157.03401	1.0
158.03642	2.5
161.02991	0.7
162.03123	2.0
162.73346	0.4
163.02728	0.6
172.05212	0.5
175.04538	0.7
176.04736	1.1
177.04236	0.5
186.03001	1.2
200.04919	0.6
204.04132	0.7
260.06799	0.8
278.09186	13.1
278.15997	100.0
296.08923	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	279.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.2
55.05505	1.8
56.05022	2.0
56.96568	6.9
57.03426	1.9
57.07085	8.2
58.06602	16.5
59.07390	5.3
60.08169	33.3
61.01139	1.0
61.02911	3.0
65.03936	1.3
67.05493	2.2
68.05028	0.9
69.03440	6.9
70.06599	6.7
70.36539	2.6
71.04997	1.0
72.08150	4.4
73.02926	4.0
73.06557	2.4
73.58110	0.7
74.06068	0.7
79.05499	0.8
80.57294	0.7
81.03399	3.1
81.07038	2.6
82.06565	1.4
84.04475	1.8
84.08138	3.0
84.96049	1.3
85.02908	12.0
86.09710	1.4
87.04462	2.3
91.05474	1.4
95.06101	1.6
97.02896	7.7
98.97584	15.2
99.04472	1.3
101.00859	1.4
107.04919	1.0
109.02881	2.2
110.07183	9.1
110.97560	1.6
115.02346	0.9
116.98633	6.1
117.05469	1.0
119.01904	3.7
119.04906	1.5
120.02015	1.6
120.04445	1.7
120.08109	3.2
121.01679	2.8
121.02866	2.9
121.06485	0.9
122.07097	1.1
123.04419	0.9
124.07635	0.8
127.03894	3.2
128.04129	0.7
128.98622	2.3
130.02892	0.9
130.06552	10.9
130.08632	1.8
130.97752	0.7
131.00183	1.0
131.01860	2.4
132.04396	2.1
133.06496	0.7
134.05919	0.8
134.99675	3.7
135.03256	0.8
136.07555	1.0
137.03024	1.0
137.05988	1.4
138.03038	0.8
138.07010	1.5
143.00157	2.6
143.01938	1.3
145.01686	0.9
145.03497	1.2
145.04910	1.3
145.06491	1.7
146.06023	17.9
146.99643	3.2
147.03270	1.2
147.04408	4.4
148.03941	88.5
148.07585	3.0
149.02353	60.3
150.09166	2.4
151.09502	1.2
152.07095	1.6
153.05817	4.0
156.04433	1.3
158.06027	5.6
158.99657	3.3
159.03253	1.1
161.01192	1.6
161.03014	1.9
161.06667	3.8
162.06342	1.4
163.02678	2.0
163.03961	1.2
167.03435	1.4
169.13367	1.4
170.05235	3.8
170.99760	1.2
174.05518	11.9
176.06961	1.5
177.00757	6.1
177.04265	2.2
179.07603	1.1
184.03949	2.3
189.00687	2.2
190.04848	1.5
195.05109	1.0
198.09079	1.3
199.05496	1.4
201.05600	1.0
202.05017	4.8
203.07632	2.6
204.07877	0.8
205.03702	0.9
215.07523	1.2
219.01765	2.2
219.05064	1.4
220.06097	7.1
221.05028	1.0
233.08118	1.0
237.02962	4.5
237.06030	1.0
242.07387	0.8
245.08723	1.2
255.04019	4.5
261.12399	4.1
266.05762	1.1
275.09677	1.2
279.03864	2.7
279.07224	3.1
279.13403	100.0
293.10730	1.6
297.05066	1.7
297.08688	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01860	0.7
55.05510	0.7
59.05000	1.5
62.41775	0.4
67.05510	1.0
68.05009	0.9
69.03408	0.6
69.07051	1.2
69.51072	3.5
70.06591	1.5
70.07413	0.5
72.08151	0.6
75.04483	6.5
79.05492	3.8
80.05827	0.8
81.07058	2.0
83.64948	0.5
87.04456	0.8
90.49781	0.4
91.05499	1.5
93.07059	0.8
94.07388	0.6
95.04959	0.7
95.08593	1.6
96.08951	1.0
97.02884	2.1
97.06520	1.1
98.06049	3.1
98.06750	0.8
103.05449	2.4
105.07035	25.2
107.08598	1.0
109.10181	0.9
110.10498	0.6
117.05772	0.8
117.07002	0.6
118.33674	0.5
119.08602	3.6
120.08106	2.2
121.06511	1.0
121.10155	0.9
123.08072	2.9
130.06509	2.3
130.08632	6.1
131.07314	17.1
132.08075	4.1
133.06567	0.5
133.07634	1.1
133.08873	1.4
134.06047	0.5
143.07277	0.9
144.08058	4.5
145.08875	17.6
146.09650	100.0
147.04433	0.6
147.10056	0.8
148.11212	1.1
149.02365	1.9
151.54045	0.5
158.09645	11.4
159.10425	1.1
160.07640	3.2
160.11220	79.1
161.08354	2.1
161.11565	1.1
162.09097	1.1
162.12782	0.9
166.02678	0.4
172.07520	2.3
174.09160	0.7
175.09947	0.9
176.07088	1.6
186.09122	1.3
187.09941	0.7
188.10704	12.7
190.08615	1.3
190.12273	4.9
191.09465	0.9
192.10176	0.5
192.13828	6.6
216.07388	0.9
218.11778	7.4
220.13278	5.9
246.11276	3.1
248.12825	4.9
250.14384	6.7
260.09244	2.4
278.09097	1.2
278.13885	39.8
278.25500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03953	6.7
53.49477	1.1
55.01872	3.2
55.05514	15.2
57.03433	3.0
57.07066	3.5
65.03952	1.6
67.05508	44.7
69.07070	14.1
69.41901	8.1
71.04972	2.0
71.08289	1.7
71.08640	23.0
77.03900	2.1
79.05500	70.4
81.03411	6.0
81.07063	55.6
83.04976	4.9
83.08608	7.7
85.06536	3.1
91.05488	29.9
91.06052	0.7
93.07050	100.0
95.04992	8.9
95.08614	35.6
95.09236	1.5
97.06518	5.7
97.10159	4.1
99.08102	17.5
99.88674	1.3
105.04567	1.3
105.07038	19.1
107.04935	3.5
107.08604	55.2
109.06519	3.1
109.10170	10.4
111.08083	1.9
111.30285	1.0
113.09630	1.5
117.07024	4.2
119.08585	14.7
121.10155	44.3
123.08082	2.2
123.11715	2.7
125.09647	1.1
129.07013	2.4
131.08585	7.1
133.10138	12.2
135.11696	53.8
137.09607	3.9
141.09067	2.0
143.08545	2.9
145.10114	7.0
147.11711	7.4
149.09648	1.4
149.13287	17.9
151.11197	10.6
157.10199	2.6
159.11667	5.2
161.09657	1.1
161.13242	7.1
163.11145	3.8
163.14871	5.4
165.12740	1.5
166.83185	1.2
167.10709	2.7
171.11720	2.2
173.13289	1.9
175.14807	3.4
177.12747	3.9
179.14319	26.8
181.12215	1.7
185.13312	3.9
187.14973	1.4
189.12796	1.5
195.13908	2.3
203.55305	1.2
207.13802	1.5
213.16443	1.2
221.15392	4.5
235.16878	1.9
241.19504	2.0
259.20605	6.7
277.21643	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03935	6.7
55.05519	17.1
57.07084	1.9
57.83423	1.6
64.31208	1.7
67.05173	2.5
67.05508	30.4
67.05859	1.4
67.59159	1.6
69.07073	14.4
69.81362	7.7
71.05013	2.3
77.03913	3.3
79.05495	74.4
81.07062	34.9
83.04971	1.5
83.08616	7.0
91.05485	28.7
93.07047	100.0
95.04973	6.5
95.08613	24.0
97.06500	2.9
97.10172	5.5
105.07044	15.0
107.08598	56.4
109.06494	2.3
109.10168	14.0
117.06997	3.2
119.08556	10.1
121.10149	52.7
123.11689	2.6
124.87093	2.0
125.09662	2.0
129.06952	4.1
131.08551	3.0
133.10143	12.8
135.10678	3.4
135.11696	57.7
143.08562	1.8
145.10115	4.5
147.11656	8.1
149.13249	26.9
149.14362	2.1
159.11684	3.0
161.13252	5.8
163.11139	1.8
163.14822	7.2
171.11749	2.7
173.13263	3.3
175.14809	3.4
181.12367	2.6
185.13263	2.9
199.14896	2.7
207.13863	3.4
213.16342	2.8
221.15356	5.2
235.16948	3.8
241.19550	2.7
259.20563	4.8
277.21649	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03941	5.8
55.01868	2.6
55.05297	1.9
55.05516	19.5
57.07077	2.9
65.03906	1.7
67.05169	2.9
67.05508	40.7
69.07083	16.5
69.89936	8.4
71.05015	2.8
71.08286	2.0
71.08645	24.0
79.05501	68.4
79.05969	4.1
81.03429	5.6
81.07066	51.1
82.76759	1.4
83.04982	7.2
83.08614	9.0
91.05485	29.9
93.07053	100.0
95.04972	7.4
95.08610	34.0
97.06543	4.4
97.10155	4.1
98.21488	1.9
99.08100	13.5
105.04546	2.2
105.07047	19.6
107.04948	3.4
107.08603	55.0
109.06548	2.7
109.10177	9.9
117.06989	3.1
119.08604	10.9
121.10157	43.4
123.08125	3.2
123.11710	2.7
131.08578	4.8
133.10152	11.5
135.11707	56.7
137.09621	2.4
141.09207	2.5
143.08537	1.9
145.10132	4.9
147.11703	7.0
149.13268	17.2
151.11179	9.7
157.10120	2.1
159.11732	2.4
161.13297	8.4
163.11206	3.9
163.14816	3.4
171.11783	2.8
175.14929	2.4
177.12828	2.6
179.14337	23.8
186.86177	1.5
189.12700	1.8
195.13853	2.8
218.83171	1.8
221.15353	4.9
235.16942	3.2
241.19569	3.1
259.20621	5.0
277.21652	79.8
278.21863	1.8
298.82950	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
50.23056	1.5
53.03933	5.7
54.44796	1.3
54.58157	1.3
55.01860	2.2
55.05517	19.8
56.24116	1.3
57.07057	2.6
59.04986	1.4
67.05176	2.4
67.05505	31.9
69.07074	14.9
70.68301	3.4
70.68634	2.5
71.04987	1.7
71.08630	5.2
79.05492	69.6
81.07060	42.4
83.04989	1.7
83.08615	7.8
85.06524	3.5
91.04962	2.7
91.05482	28.3
93.07045	100.0
95.04978	9.0
95.08611	25.9
97.06544	3.8
97.10180	5.0
99.08080	2.7
105.04511	1.7
105.07035	14.9
107.04990	1.6
107.08598	51.7
109.06503	3.0
109.10161	10.0
117.06994	4.4
119.08582	11.7
121.10146	51.2
123.08047	1.9
123.11723	4.2
126.91606	1.7
129.07016	2.2
131.08548	4.6
133.10147	11.9
135.08051	1.8
135.11699	48.3
135.12714	3.1
143.08565	1.9
145.10152	4.7
147.11670	6.5
149.13281	18.1
157.10193	1.9
159.11673	3.5
161.09651	1.7
161.13225	4.4
163.11258	2.4
163.14774	2.7
165.12784	1.8
171.11742	1.7
173.13387	1.6
175.14836	2.5
185.13326	2.6
195.13780	1.9
199.14748	2.2
207.13780	1.6
213.16423	2.2
221.15308	3.3
231.21021	1.5
235.16985	3.5
241.19559	2.8
259.20630	7.1
277.21652	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03934	5.2
55.05313	1.4
55.05516	16.2
57.07059	3.5
65.03938	1.4
67.05178	2.1
67.05510	36.3
69.07072	16.3
70.09570	4.0
70.09979	2.3
71.04987	1.9
73.06554	1.7
78.93857	1.2
79.05498	72.7
81.07063	33.1
83.05019	1.4
83.08613	5.3
85.06537	2.6
87.25357	1.3
91.04970	2.0
91.05486	26.1
93.07047	100.0
95.04972	5.7
95.08051	2.1
95.08613	24.6
97.06510	1.3
97.10159	4.1
105.07031	12.8
107.08600	52.0
109.06496	2.4
109.10169	13.4
113.38345	1.3
116.10152	1.4
117.07013	3.9
119.08588	8.8
121.10145	43.7
123.11702	2.8
131.08556	3.4
133.10115	10.8
135.11697	59.8
139.11229	1.7
143.08618	1.4
145.10147	2.3
147.11700	6.9
149.13260	27.0
157.10144	1.9
159.11662	2.2
161.13257	3.2
163.11160	1.9
163.14842	6.3
171.11621	3.2
173.13354	1.3
175.14909	2.1
185.13286	2.9
195.13893	2.2
207.13805	2.3
213.16406	3.4
221.15355	1.8
235.17001	3.1
259.20480	4.1
271.87619	1.5
277.21637	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03954	5.9
53.80194	0.9
55.01876	12.0
55.05265	1.6
55.05516	22.0
57.07071	4.8
65.03931	2.2
67.05509	45.1
69.06729	1.1
69.07079	18.1
70.95563	1.9
71.04984	2.6
71.08636	4.5
71.08960	0.9
73.06551	1.4
79.05498	59.3
81.03410	3.1
81.07063	44.8
83.04980	3.8
83.08621	11.9
85.06546	3.0
89.78728	1.0
91.04897	1.5
91.05483	34.1
93.07050	89.0
95.04976	10.4
95.08611	30.9
95.09052	0.6
97.06531	3.8
97.10166	4.6
99.08080	5.4
105.04546	1.4
105.07037	21.2
107.04986	2.1
107.08601	44.2
109.06512	5.4
109.10161	15.6
111.08088	11.8
113.05993	1.3
117.07018	4.3
119.08588	15.9
121.06504	1.9
121.10151	30.8
123.08056	3.9
123.11706	4.2
127.07552	1.2
129.07010	4.0
131.08566	6.9
133.10138	19.1
135.08142	1.5
135.11694	33.4
137.09593	2.7
137.13290	2.1
139.11186	1.5
143.08557	3.5
145.10104	5.4
147.08034	1.3
147.11696	11.9
149.09639	3.6
149.13264	16.4
151.11194	5.8
157.10211	4.3
159.11700	4.1
161.09621	2.3
161.13258	8.1
163.11206	3.9
163.14844	6.4
165.12732	5.2
167.10689	1.2
171.11707	3.9
173.13293	2.6
175.11220	1.8
175.14845	3.5
177.12704	2.8
179.10687	1.4
179.14348	2.6
181.12271	1.5
181.58217	0.9
185.08725	0.9
185.13246	2.8
189.12793	2.5
193.12291	2.4
193.15897	1.1
195.13782	1.3
199.14818	2.9
203.14235	1.6
207.13834	2.8
213.16350	0.9
217.15923	1.5
217.19460	1.4
221.15327	4.8
231.21075	2.6
235.16985	4.0
241.19533	4.6
249.22108	2.1
250.35092	0.9
259.20532	8.7
277.21634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	4.7
55.01873	3.2
55.05264	2.1
55.05512	25.4
56.81921	1.5
57.03446	8.5
57.07062	2.6
67.05508	47.1
69.03414	3.7
69.07075	16.0
70.80231	1.4
70.80573	3.2
71.04996	15.2
72.78753	1.4
74.01306	1.4
74.83247	1.4
79.05496	74.1
81.07061	81.3
83.04971	13.1
83.08618	11.5
85.06526	4.0
91.05484	39.5
93.07047	100.0
95.04963	10.1
95.08609	44.7
97.06512	6.7
97.10175	6.0
98.81870	1.4
99.08081	2.2
105.07032	40.9
107.08601	57.3
109.06508	10.3
109.10168	18.1
111.08067	2.6
111.87376	1.3
113.09634	1.8
117.07018	10.1
118.40504	1.8
119.08589	32.3
121.06508	4.1
121.10146	55.7
123.08048	5.8
123.11691	4.6
125.09628	2.0
127.07606	1.9
128.06212	4.2
129.06993	5.9
131.08569	17.9
133.06544	2.0
133.10143	23.0
135.08043	3.7
135.10689	2.5
135.11699	44.3
137.09601	5.1
139.11195	1.7
142.07782	5.6
143.08566	12.8
144.09300	2.5
145.10155	12.6
147.08069	3.3
147.11699	13.8
149.02266	2.1
149.09593	7.9
149.13278	25.5
151.11142	4.1
152.07620	1.5
156.09383	2.0
157.10103	16.0
159.11697	22.0
161.09601	6.9
161.13283	11.1
162.10559	1.6
163.11214	3.4
163.14790	5.3
165.12723	3.5
167.10651	2.1
169.10143	1.8
171.11676	6.6
173.13275	13.9
175.11147	2.0
175.14803	4.4
177.12663	1.7
179.10675	1.7
185.13211	3.6
187.14836	8.5
189.12825	1.8
189.16391	5.7
191.14326	4.3
195.13840	1.9
199.14777	10.4
205.15868	2.9
207.13783	2.2
209.11732	11.3
217.15916	15.1
221.15414	4.1
221.18958	2.2
231.21033	2.0
235.16994	4.8
241.19550	3.7
259.20615	11.3
277.18060	18.1
277.21603	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99228	0.4
53.55605	0.4
54.03583	0.5
61.24104	0.5
67.00941	0.6
69.91967	2.7
81.03410	0.9
94.06596	1.0
97.18184	0.6
98.20760	1.1
101.00875	2.3
109.02843	0.8
111.82308	0.5
115.02459	0.7
116.10735	0.6
119.01921	4.9
131.01913	1.3
133.03500	2.2
133.57385	0.6
137.02921	1.0
143.01857	1.2
145.03488	0.8
156.02599	0.6
157.03482	3.4
159.01389	0.7
161.02962	3.9
162.34158	0.6
166.32982	0.5
171.05096	0.7
175.04559	2.3
185.02942	1.3
187.04550	0.6
197.71275	0.5
198.06804	0.6
199.04555	1.0
201.06099	0.7
203.03979	1.0
212.45094	0.6
217.05638	0.7
218.04123	0.5
253.07855	0.6
261.32169	0.5
277.08978	100.0
278.09326	0.7
278.26779	0.5
288.12018	0.5
295.08725	8.9
296.69800	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03931	4.3
55.01865	2.9
55.05269	1.6
55.05514	22.3
57.07084	15.4
58.31758	1.4
67.05507	39.9
69.03397	2.2
69.07071	19.7
70.73573	3.8
71.04993	2.7
71.08640	2.3
79.05495	78.6
81.07062	43.2
83.04993	2.5
83.08631	10.5
85.06525	2.8
87.20467	1.4
91.04968	2.5
91.05487	31.6
92.05814	2.2
93.07052	100.0
95.04956	7.5
95.08049	2.7
95.08608	32.1
97.06512	4.8
97.10171	3.3
105.04537	2.0
105.07037	20.3
106.07354	3.7
106.14497	1.6
107.04932	1.9
107.08597	47.3
109.06540	3.7
109.10170	12.2
117.07024	2.9
119.08573	11.4
121.09447	1.4
121.10147	40.5
121.62505	1.6
123.08068	3.1
123.11687	3.4
125.09618	1.7
129.07005	4.0
131.08542	5.3
132.70837	1.8
133.10143	15.1
135.08105	2.3
135.11700	43.6
143.08591	2.8
145.10109	5.4
147.11739	9.5
149.02383	3.7
149.12198	2.2
149.13280	23.8
150.00467	1.5
153.09117	1.5
157.10188	1.9
159.11723	4.9
161.09679	2.0
161.13237	5.7
163.11182	1.9
163.14807	6.4
171.11641	2.8
173.02240	1.5
173.13281	3.0
175.11137	2.5
175.14873	3.8
179.10674	7.2
179.14294	1.7
185.13335	2.7
195.13860	1.9
199.14857	1.7
203.14232	2.1
207.13844	2.0
221.15370	3.2
235.16939	29.3
239.61670	1.4
259.20566	7.4
277.17990	21.6
277.21524	78.8
277.28137	8.9
280.18246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36618	0.7
55.56197	0.7
57.03438	1.2
58.81604	0.7
58.99882	1.2
61.02899	0.7
69.03440	3.2
70.06605	1.0
70.23988	3.4
71.05006	2.4
72.08168	1.3
77.00929	0.9
77.07690	0.9
77.98292	0.8
81.03416	7.5
82.99826	4.0
84.04491	1.0
84.08155	5.5
85.02915	4.5
86.99352	1.2
97.01398	1.3
97.02876	0.8
99.04466	2.7
100.00118	2.5
101.00889	32.5
103.02445	1.1
109.02877	6.5
113.00864	3.2
115.02426	5.0
118.01181	3.1
119.01936	65.3
121.01687	1.4
121.03539	0.9
127.02438	1.9
129.03990	1.7
130.08629	1.2
131.01926	6.3
133.03485	15.8
137.02979	9.0
139.02394	4.9
141.00377	1.5
141.03964	0.9
142.01100	1.9
142.03502	1.0
143.01913	14.1
144.02763	1.4
145.03487	11.1
147.01393	1.5
147.05052	1.2
149.03050	0.8
150.09174	2.9
151.04533	3.8
155.01907	2.5
156.02722	3.7
157.03487	39.4
158.00591	1.0
159.01408	7.7
159.05061	2.7
160.02199	3.7
161.02980	37.1
163.04561	2.0
167.01901	4.4
169.03503	3.6
171.05080	4.0
173.03004	3.3
175.04547	29.2
179.04037	0.8
181.03453	1.6
183.05080	4.5
184.02223	2.1
185.01357	1.1
185.02986	19.9
187.04543	7.5
189.06154	3.1
193.05812	0.9
199.04536	8.4
201.06142	6.6
203.04010	12.2
209.03058	1.0
211.04543	1.1
217.05602	8.5
221.05061	2.5
227.04118	1.5
235.06706	2.5
241.05714	0.8
245.05089	5.1
245.72395	0.7
253.07698	1.3
259.06589	5.6
263.06223	1.3
277.02969	2.9
277.07532	72.6
278.08176	1.1
295.08768	100.0
296.09012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0708
Annotation	Corymbiferan lactone A
Peak:m/z	Relative Intensity
55.01879	12.5
55.93536	2.0
56.05033	2.3
56.59888	1.9
56.96564	3.2
57.03416	3.7
57.07071	8.8
58.16912	2.2
65.03934	2.1
67.05497	2.6
69.03439	16.9
70.06593	7.6
70.08507	8.8
70.08854	2.2
71.01354	2.5
72.08169	10.3
72.93788	1.9
73.02926	9.4
79.05498	3.0
81.03440	4.4
81.07040	2.4
83.04997	2.3
83.06099	2.1
84.04511	14.5
84.08152	36.6
85.02934	9.3
86.09717	6.2
89.03924	5.3
91.05490	10.1
95.08597	3.5
97.02898	6.9
98.97600	3.0
99.04472	4.2
103.05447	4.9
105.07021	4.9
107.04939	3.2
110.07159	2.8
111.04432	2.2
113.09721	1.8
114.05561	2.7
115.03926	4.5
115.05466	17.9
117.03388	4.5
117.07008	3.2
119.08604	3.0
120.08106	20.8
123.04409	4.1
127.03831	2.3
128.06203	5.0
129.07013	17.3
130.04950	3.7
130.08655	6.9
131.04904	9.5
132.95821	6.0
133.06538	2.3
133.59131	2.1
135.04427	34.7
136.07574	3.0
137.02290	2.1
137.06013	2.7
139.03908	2.3
139.05444	8.1
141.06956	12.4
142.04944	2.7
143.04964	18.4
144.08139	2.6
145.06451	4.4
146.03638	5.0
147.04420	24.8
147.08118	2.4
149.02327	2.3
149.05995	3.9
150.96968	2.4
157.06490	23.3
158.97487	2.6
159.04471	5.0
160.05124	3.0
161.03032	2.0
161.05992	41.9
163.03922	41.6
164.04727	11.3
165.05504	2.6
166.08704	6.4
167.04900	7.7
169.06500	11.6
171.04416	9.0
173.05977	3.8
175.03903	13.0
175.07549	20.1
177.05522	9.0
179.10645	5.6
184.05258	2.8
184.09602	2.8
185.06003	37.7
185.09572	2.3
187.03883	30.2
187.05263	2.5
187.07486	10.8
188.07384	2.6
189.01891	4.3
189.05490	42.7
191.03453	3.6
195.04501	2.3
197.06044	8.5
199.03940	5.7
200.04700	4.2
201.05507	7.2
201.12387	2.7
203.03368	11.5
203.07021	13.6
205.04993	12.2
213.05473	53.2
213.12302	4.6
215.03429	3.4
215.07027	29.1
217.02937	2.8
217.04984	33.0
218.05698	4.4
229.80531	2.2
231.00255	3.6
231.06528	100.0
231.11404	5.8
232.09618	2.1
233.04527	2.6
234.99040	7.0
235.06015	6.3
235.16980	15.3
241.05005	8.6
249.07608	2.9
259.06018	35.6
277.00229	4.3
277.07001	44.3
277.11356	9.5
277.18033	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	276.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01868	3.5
55.05507	7.2
56.05035	21.5
57.03416	1.6
57.07071	1.4
58.99584	21.4
60.04528	3.4
67.05506	21.6
69.07072	11.0
70.06595	7.7
71.04993	2.0
71.54874	2.0
72.08153	4.4
73.01144	2.8
74.00662	3.1
76.02226	7.9
76.68307	1.4
79.05502	9.7
80.05002	1.8
81.07056	10.3
82.06575	2.2
83.08624	4.5
84.04501	2.5
84.08148	3.8
84.19262	1.4
85.01134	3.2
85.06556	3.2
86.00658	22.6
86.99053	11.8
87.02699	4.5
87.04459	4.2
88.02206	2.2
88.03992	4.3
89.26608	1.4
91.05478	17.8
93.07042	25.4
94.06544	2.3
95.04964	5.2
95.08604	9.1
95.29271	1.4
97.01112	24.7
97.02888	4.4
97.06537	6.7
99.01424	1.6
99.02691	2.4
100.02187	2.1
105.00111	4.9
105.07050	4.5
106.06528	1.8
107.08604	9.4
109.02847	2.1
109.06563	1.7
109.10155	18.6
111.08113	3.1
114.05508	2.3
116.07059	1.9
117.07024	4.8
119.08595	6.0
120.08081	1.6
120.08863	1.7
123.02692	2.5
123.08055	1.4
124.04797	1.5
124.48846	1.3
125.04205	2.8
127.05781	1.2
128.48918	1.3
130.06531	2.1
132.01146	20.3
132.04445	1.3
132.99533	2.8
133.10220	1.3
133.92435	1.4
134.99797	1.3
135.04463	1.6
135.08069	6.6
136.11214	1.9
137.09612	5.3
140.93690	1.4
141.07361	2.2
144.13844	6.0
145.48248	1.6
146.06023	1.7
151.05785	4.8
154.12268	21.7
158.06000	2.3
169.06877	3.8
172.13322	7.2
177.07372	2.8
179.05800	2.6
187.38390	1.4
190.12172	1.7
195.08380	9.9
202.08676	1.6
211.07863	2.5
212.11043	35.6
213.09459	5.0
223.07892	4.9
230.12115	23.3
232.09695	1.8
235.09566	1.7
258.11642	19.2
259.09894	12.5
276.12665	100.0
276.15958	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.22202	0.9
53.03936	2.7
55.01873	14.1
55.05271	1.4
55.05514	18.9
56.05835	1.1
57.03419	2.3
57.07060	1.0
65.03941	2.5
67.05509	25.8
69.03419	1.4
69.07076	13.5
69.27528	8.8
69.27933	1.6
71.05000	2.3
79.05064	1.9
79.05499	28.7
81.03423	1.2
81.07061	35.6
81.43555	1.0
82.15704	0.9
83.04984	3.4
83.08630	6.0
85.06538	2.0
90.13225	0.9
91.05487	53.7
91.66223	0.9
93.07050	24.9
95.01336	1.0
95.04989	5.2
95.08618	16.3
95.54440	0.9
97.06535	15.5
97.10181	2.7
97.60888	1.2
103.05496	2.3
105.07037	92.9
107.04943	9.4
107.08601	15.5
109.06519	3.7
109.10152	7.4
115.05439	1.5
117.07025	12.1
119.08588	44.5
121.06496	1.9
121.10126	7.0
123.08051	1.4
123.11680	1.5
125.09637	2.6
129.07016	4.1
131.08580	21.4
133.10138	55.6
135.08067	3.6
135.11700	3.8
137.09590	2.3
143.08557	2.5
145.10133	16.3
147.08051	1.4
147.11690	24.6
149.09647	12.0
149.13298	1.6
151.11171	2.7
155.08563	1.5
157.10138	3.0
159.11719	8.9
161.09683	1.3
161.13274	4.1
163.11180	2.9
165.09103	2.4
169.10080	1.7
171.11711	3.2
172.76556	1.0
173.13269	3.6
177.12688	2.0
179.14282	1.7
183.11705	1.9
185.13283	1.1
187.14853	1.5
193.12326	1.4
197.13287	1.5
201.12802	1.2
209.07724	0.9
215.14200	1.3
219.17482	1.9
229.19482	3.2
233.15305	1.2
239.18063	3.9
247.20575	3.7
257.19131	9.2
266.20453	1.1
275.20084	100.0
276.20349	1.5
287.53311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.88819	0.6
53.03932	1.8
55.01855	2.8
55.05270	0.8
55.05514	10.7
57.03431	1.1
57.07072	1.5
59.04975	0.8
64.78936	0.7
65.03941	1.0
67.05505	19.8
69.03403	0.7
69.07067	9.7
69.50699	0.7
71.04974	1.9
79.05066	1.3
79.05499	19.2
79.05951	1.5
81.03419	1.1
81.07060	19.6
83.04967	2.4
83.08621	5.2
91.05482	35.6
93.06481	1.3
93.07047	20.2
95.04969	3.8
95.08608	12.9
97.06527	2.8
97.10169	2.0
103.05475	1.6
105.07034	44.0
107.04936	3.1
107.08597	13.1
109.06510	4.7
109.09452	1.0
109.10163	8.3
109.16341	0.7
111.08109	1.6
115.05402	1.1
117.07022	11.4
119.08586	32.3
121.06509	2.8
121.10135	6.8
123.08047	2.3
123.11690	1.9
125.09686	0.8
129.07016	2.6
131.08562	12.7
133.06490	1.4
133.10136	28.0
135.08069	4.0
135.11674	3.7
137.09598	2.6
143.08548	1.6
145.10130	12.4
147.08055	1.0
147.11685	19.2
149.09605	6.4
149.13287	1.5
151.11174	2.3
155.08522	0.8
157.10115	2.6
159.08116	1.0
159.11688	7.9
159.97000	0.6
161.09639	1.6
161.13260	6.5
163.11208	4.7
165.12749	1.4
169.10095	2.1
171.11670	2.3
173.09590	1.9
173.13216	4.1
175.11205	1.7
175.14874	1.2
177.12717	1.7
179.14246	1.0
183.11658	1.9
187.11143	1.6
187.14819	1.1
189.67130	0.6
191.14291	1.6
197.13243	2.6
199.14725	0.7
201.12698	1.1
211.14719	0.7
213.16489	1.1
215.14296	1.1
215.17963	0.9
229.19504	2.7
233.15260	1.5
233.19008	1.2
239.17986	4.4
247.20581	3.2
257.18970	9.7
264.85767	0.7
275.20065	100.0
276.20444	1.7
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	Dicranin
Peak:m/z	Relative Intensity
53.03939	2.4
53.83108	0.8
55.01871	5.3
55.05512	10.3
57.03430	1.7
57.07052	1.2
58.56421	0.8
59.40797	0.8
65.03921	1.1
67.05180	1.3
67.05511	18.7
69.03422	2.1
69.06784	0.7
69.07072	9.6
69.87560	3.7
70.90357	0.8
71.04973	2.3
79.05500	18.4
81.03415	1.3
81.07061	24.0
83.04986	9.7
83.08647	4.0
83.09050	0.8
85.06525	1.2
91.05488	24.0
93.06474	1.4
93.07047	24.6
95.04975	5.8
95.08604	12.2
97.06552	4.6
97.10176	1.5
98.21458	1.1
99.99062	0.9
103.05496	1.1
105.07030	30.6
107.04964	5.5
107.08601	14.1
109.06544	7.7
109.10156	6.1
111.08067	1.9
114.04809	0.9
117.07022	8.6
119.08582	14.9
121.06503	10.9
121.10165	7.1
123.08085	6.8
123.11686	1.3
129.07001	2.7
131.08571	15.2
133.06494	2.7
133.10124	16.6
135.08035	5.0
135.11684	5.0
137.09624	1.6
141.06953	1.3
143.08543	1.6
145.06470	2.2
145.10136	10.9
147.08046	2.9
147.11708	12.7
149.09644	4.5
149.13269	3.1
151.11172	2.1
153.09038	0.9
155.08568	0.9
157.10094	2.3
159.07971	1.1
159.11711	7.0
161.09619	3.9
161.13277	2.3
163.11247	5.1
169.10147	1.8
171.11687	1.7
173.09636	1.2
173.13232	5.1
175.11227	2.7
177.12769	1.7
183.11717	2.6
187.11227	1.4
189.12701	0.9
191.14296	2.8
199.14709	1.4
201.12741	3.7
205.15916	1.1
207.13780	1.3
215.14401	1.3
215.17990	2.7
219.13789	2.3
229.19528	2.3
233.19049	1.7
238.28584	0.8
239.17992	3.1
247.20529	2.2
257.19031	11.2
275.20071	100.0
275.27783	2.5
276.20380	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03936	3.3
53.73817	0.7
55.01867	6.6
55.05262	1.1
55.05516	15.4
56.92646	0.8
65.03930	1.5
67.05172	1.2
67.05510	21.8
69.07072	12.0
70.61456	0.7
70.69443	1.7
71.04989	1.7
79.05498	21.3
80.84120	0.8
81.07062	39.5
83.04973	2.6
83.08615	5.2
85.06575	1.2
91.05489	58.8
93.07050	20.2
95.01336	1.1
95.04981	4.4
95.08617	14.3
96.36178	0.8
97.06536	10.4
97.10163	2.6
103.05473	2.5
105.07037	100.0
107.04958	4.8
107.08594	9.9
109.06528	1.9
109.10177	5.0
115.05419	0.8
116.06220	0.8
117.07016	9.7
119.08588	41.9
121.06500	1.5
121.10147	3.9
123.04414	0.8
123.08046	2.5
123.11730	0.9
125.09618	1.3
128.06210	0.9
129.06987	2.0
130.07794	1.2
131.08577	20.7
133.10138	57.9
134.10452	0.8
135.08052	2.2
135.11713	2.8
137.09610	2.1
140.07018	0.8
143.08565	2.0
145.10130	14.3
146.01237	0.7
147.07967	1.0
147.11699	19.7
149.09604	2.8
149.13257	1.1
151.11179	1.7
154.30954	0.7
155.08519	1.3
157.10101	2.7
159.11702	7.5
161.13290	3.1
163.11188	1.7
165.09126	2.2
171.11687	2.6
173.13293	2.7
177.12782	1.1
179.14377	1.2
183.11688	1.7
197.13303	1.5
211.14659	1.1
219.13785	1.5
229.19606	1.6
239.17986	1.5
247.20605	2.4
257.18954	5.8
275.20078	75.2
276.20459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.54646	1.2
53.03951	1.7
55.01855	3.3
55.05519	15.0
57.03423	4.0
67.05174	1.5
67.05511	22.0
69.07073	9.3
69.90108	1.2
70.84494	2.0
70.84796	1.7
71.04986	2.6
79.05496	21.6
81.07059	27.2
83.04982	3.1
83.08614	6.0
85.06554	1.5
91.05486	42.6
93.07050	22.0
95.04958	4.3
95.08612	14.6
97.06522	2.6
97.10153	1.9
103.05493	1.8
105.07036	53.7
107.04955	5.6
107.08601	15.4
109.06528	6.8
109.10146	7.6
111.08112	1.8
115.05457	1.3
117.07013	10.0
119.08588	34.6
121.06491	2.8
121.10158	10.0
123.08063	4.9
125.09636	1.1
129.06998	3.7
131.08563	14.6
133.06487	1.8
133.10135	47.4
135.08054	6.5
135.11700	6.6
137.09598	4.8
141.06995	1.3
143.08589	2.4
145.10129	12.4
147.08096	1.1
147.11697	16.0
149.09631	6.8
149.13290	1.9
151.11169	2.7
155.08572	1.8
157.10138	3.2
159.11655	8.5
161.09631	2.0
161.13292	5.7
163.11177	3.6
165.12744	1.6
169.10100	1.7
171.11700	3.2
173.13252	5.1
175.11214	2.1
175.14726	2.2
177.12740	2.6
183.11728	2.2
185.13295	2.6
187.11266	1.7
187.14862	1.1
197.13229	2.0
201.12740	1.3
201.95135	1.0
203.14333	2.9
229.19652	1.5
239.18011	4.6
247.20613	4.5
257.19031	10.5
275.20078	100.0
276.20386	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03942	2.1
54.80013	0.8
55.01863	2.3
55.05517	15.6
57.03430	3.7
57.07062	0.9
62.19663	0.8
65.03938	1.3
67.05505	20.7
69.03410	1.6
69.06780	0.9
69.07074	9.2
69.90681	4.6
71.04990	2.1
79.05056	1.5
79.05496	20.3
81.07066	25.4
83.04983	2.4
83.08610	3.6
85.06539	2.2
91.05489	38.3
93.07053	21.3
95.04971	5.4
95.08627	13.5
97.06519	2.2
97.10163	2.2
97.77871	1.0
98.20806	1.3
103.05485	2.0
105.07041	51.3
107.04980	5.7
107.08603	14.8
109.06531	6.1
109.10162	4.9
111.08084	2.0
117.07037	10.5
119.08590	34.8
121.06509	3.9
121.10145	9.0
123.08063	6.1
123.11726	1.7
129.07028	2.4
131.08583	14.4
133.10138	34.8
135.08070	6.1
135.11700	4.2
137.09601	4.1
141.06975	1.5
143.08582	3.4
145.10153	13.0
147.08102	1.3
147.11697	20.2
149.09656	5.7
149.13226	1.3
151.11250	1.3
152.90306	0.9
157.10126	3.2
159.10588	1.3
159.11711	10.7
161.09708	1.6
161.13249	5.5
163.11185	3.2
169.10143	2.6
171.11673	2.5
173.13281	6.1
175.11192	1.7
175.14801	2.3
177.12749	2.1
183.11702	2.6
185.13287	2.6
187.11197	1.0
187.14839	1.7
189.12819	1.5
191.14305	1.4
197.13208	3.1
199.14854	1.3
201.16383	2.3
203.14227	2.1
211.14830	1.2
215.14333	1.2
229.19534	1.9
239.18002	5.2
247.20596	3.6
257.19016	10.4
275.20078	100.0
276.20367	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03942	1.6
55.01860	2.3
55.05268	1.0
55.05515	13.3
57.03428	1.6
57.07071	1.5
65.03949	1.0
67.05512	16.0
69.03415	0.9
69.07076	7.5
69.91789	1.3
69.92184	2.3
70.06567	1.4
71.04996	1.5
79.05068	1.5
79.05499	18.7
81.07066	20.8
83.04977	2.4
83.08614	5.1
85.06559	1.1
88.07623	1.5
91.05489	46.1
92.73696	0.8
93.07057	17.2
94.38177	0.8
95.04971	2.1
95.08620	13.9
97.06515	2.0
97.10168	2.5
98.56989	0.9
99.52026	0.7
103.05471	2.2
105.04478	0.9
105.07040	59.7
107.04954	2.8
107.08598	13.4
109.06497	2.3
109.10152	4.7
111.08097	0.8
115.05448	1.1
117.07013	9.9
119.08590	36.8
121.06467	1.8
121.10152	6.0
123.08089	2.1
123.11676	2.0
125.09631	1.6
129.07022	1.9
131.08582	13.3
132.09360	1.0
133.10136	42.6
135.08070	3.5
135.11685	2.6
137.09593	2.1
139.65126	0.9
141.07014	1.1
143.08554	1.8
145.10144	14.2
147.08109	1.0
147.11693	19.2
149.09602	6.5
149.13242	1.2
150.03030	0.8
151.11234	1.9
155.08563	1.0
157.10165	2.7
158.46233	0.9
159.11691	9.0
161.09596	1.2
161.13277	4.9
163.11227	2.3
169.10132	2.3
171.10300	0.9
171.11708	3.5
173.13268	4.5
175.11186	1.6
175.14803	1.2
177.12823	1.3
183.11710	2.9
187.11227	1.5
197.13275	1.7
201.12708	1.6
229.19501	2.0
233.19009	1.2
239.17911	5.1
247.20580	2.0
257.19046	8.4
257.58792	0.8
275.20081	100.0
275.27759	16.4
276.20258	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03940	1.0
55.01867	1.2
55.05265	0.8
55.05516	12.5
57.03438	5.1
57.07061	2.1
58.07399	0.7
62.04593	0.6
65.03918	1.0
67.05505	12.1
69.07070	8.0
70.06580	2.0
70.45938	2.0
71.04987	1.5
71.06916	0.7
79.05499	14.2
81.07057	13.8
83.04977	0.9
83.08613	4.8
85.06544	2.4
85.32293	0.6
88.07639	2.8
89.07964	0.8
89.55225	0.6
91.05485	33.6
93.07045	13.2
95.04957	1.5
95.08047	0.9
95.08607	10.2
97.06520	1.4
97.10168	1.9
98.85542	0.6
102.09151	0.8
103.05444	1.6
103.09534	0.6
105.07034	49.5
106.08672	1.1
107.04984	0.9
107.08572	9.5
109.06513	2.7
109.10152	3.2
111.08073	1.1
113.06004	0.7
115.05412	0.8
117.07026	10.3
119.08585	35.2
121.06470	1.3
121.10159	4.3
122.60151	0.6
123.08096	1.0
129.07013	3.6
131.08565	12.2
133.10132	29.8
135.08035	1.0
135.11684	2.1
141.06970	0.9
143.08571	3.6
145.10126	11.9
147.08026	1.2
147.11693	23.7
149.09607	3.3
155.08528	1.3
157.10158	3.1
159.11705	13.6
161.09650	1.6
161.13269	8.3
163.11171	1.8
169.10141	2.3
171.11670	1.6
173.13289	4.4
175.11192	1.4
175.14784	0.8
179.10567	0.7
183.11732	2.0
185.13240	7.6
187.11226	1.1
189.12868	0.8
197.13263	1.7
198.27403	0.6
201.12761	0.8
201.16443	1.6
203.14322	6.4
211.14929	1.0
215.17924	0.7
219.13921	0.9
219.17404	2.4
229.19478	1.3
233.15479	0.7
239.17963	4.2
257.16519	1.1
257.19025	10.2
257.26654	1.4
275.20065	100.0
275.27740	25.8
276.20554	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
52.50754	1.0
53.03959	1.0
55.05510	15.3
56.91837	1.0
57.07073	7.8
57.70640	0.9
60.19557	1.0
67.05504	24.5
69.07069	34.0
70.72862	1.6
71.08619	2.1
74.32800	1.0
79.04369	1.0
79.05490	13.3
81.07059	64.1
83.08623	15.6
91.05476	10.4
93.07045	31.2
95.04979	1.5
95.08608	67.2
97.10172	10.3
98.21092	1.8
105.07034	25.1
107.08595	50.7
109.10159	56.2
111.11717	2.9
117.07021	1.6
119.08582	26.4
121.10151	45.3
123.11706	34.6
125.13333	1.7
131.08546	2.5
133.10127	18.7
135.11703	28.1
137.13281	12.3
145.10112	1.7
147.11699	17.3
149.13263	42.6
151.14816	7.2
157.09868	1.1
159.11647	1.4
161.13252	21.2
163.14818	24.6
165.16420	2.2
175.14845	12.9
177.16382	15.9
185.13203	1.0
189.16396	20.3
191.17940	9.1
203.17955	19.2
217.19516	29.2
231.21098	4.1
254.48535	1.1
255.17603	1.2
259.88174	1.0
273.18475	3.3
273.25775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	1.6
55.01867	2.8
55.05273	0.9
55.05513	11.9
57.03436	3.8
57.07084	1.1
59.54011	0.8
61.73747	0.9
65.03919	1.2
67.05177	1.1
67.05511	15.7
69.03430	0.8
69.06762	1.0
69.07071	8.9
70.07562	3.8
71.04982	1.6
71.49311	0.7
73.06561	0.8
77.03894	1.1
79.05064	1.4
79.05495	20.3
81.03409	1.0
81.07060	28.5
83.04977	2.4
83.08624	5.9
85.06531	2.2
91.05486	39.3
93.06460	1.5
93.07047	21.0
93.33083	0.9
95.04958	5.2
95.08616	15.1
97.06527	1.9
97.10163	1.5
98.03931	0.7
103.05481	1.5
105.07037	53.4
105.95557	0.8
107.04937	2.4
107.08598	12.8
107.90475	0.7
109.06526	5.2
109.10162	4.4
111.08031	1.3
115.05437	1.8
117.07013	11.9
119.08591	35.6
121.06496	4.2
121.10139	7.5
123.08064	1.5
123.11681	1.1
125.09655	0.8
128.06271	1.1
129.06993	4.2
130.07767	0.9
131.08577	19.3
133.06522	1.4
133.10141	31.9
135.08064	5.5
135.11729	4.2
137.09645	1.9
142.07828	1.6
143.08568	4.8
145.09038	1.4
145.10132	19.6
146.10889	1.3
147.08069	1.7
147.11694	21.4
149.09628	4.6
149.13260	1.7
155.08563	3.4
156.09436	0.8
157.10159	7.6
159.08049	2.1
159.11711	15.7
160.12360	0.8
161.09563	2.3
161.13271	7.9
163.11180	2.9
167.08621	1.3
169.10150	3.4
171.11719	4.2
173.09642	2.2
173.13293	4.7
175.11209	2.4
175.14891	1.5
175.91104	0.9
177.12770	1.1
179.24863	1.0
182.10918	3.1
183.11668	2.2
185.13231	5.9
185.30399	0.8
187.11243	2.1
187.14784	7.2
189.96693	0.7
193.12233	1.2
197.13206	6.6
201.16437	1.0
203.14343	3.3
211.14758	1.5
213.16353	0.8
215.14322	23.9
215.17648	0.9
217.15852	1.3
219.17403	1.9
229.19530	1.3
233.15417	1.2
239.17967	3.7
247.20638	1.6
248.08173	0.8
257.19028	11.0
270.58966	0.8
275.20071	100.0
276.20428	1.0
291.68179	0.8
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
55.05505	5.4
57.07071	2.5
58.64505	1.7
67.05486	6.9
67.96716	2.2
69.03413	1.9
69.07065	5.2
70.73769	2.4
70.74107	4.0
71.04987	3.7
75.63366	1.9
79.05485	9.6
81.07080	10.2
81.07458	1.8
83.04996	4.4
83.08621	4.7
85.06510	2.9
91.05493	10.5
93.07048	9.0
95.04971	17.7
95.08602	8.8
97.06572	2.3
103.54337	1.9
105.07025	21.8
107.08585	11.8
109.06506	20.1
109.10133	6.6
111.08097	4.7
117.07022	7.0
119.08583	24.8
121.06508	2.4
121.10149	7.0
123.08082	17.5
123.11706	2.1
128.06230	2.2
129.06996	6.2
130.07780	2.5
131.08577	19.4
133.06483	4.8
133.10123	8.6
135.08046	9.1
135.11754	2.2
137.09633	4.9
141.06982	2.6
142.07782	5.8
143.08549	10.1
144.09277	3.2
145.10123	44.0
147.08060	6.7
147.11678	16.3
149.13307	2.2
151.07579	2.9
151.11194	2.4
155.08577	6.2
156.09346	8.6
157.10143	26.7
158.10945	3.3
159.08067	4.9
159.11702	13.5
161.09645	8.0
161.13310	2.9
163.11139	4.8
169.10104	5.9
170.10887	2.0
170.12170	2.1
171.11690	21.4
173.09619	8.5
173.13245	22.9
174.10434	3.6
175.11208	9.0
177.12785	3.2
179.08568	2.1
181.10086	2.6
182.10887	4.5
183.11662	3.6
184.12477	2.9
185.09631	3.8
185.13264	9.7
187.11224	13.3
187.14798	5.9
189.12782	18.6
195.11736	2.7
196.12405	2.3
197.13281	13.0
198.13985	2.8
199.11208	11.1
203.14301	4.3
211.14925	3.9
212.15543	3.2
213.08952	2.3
213.12779	5.4
213.16377	11.0
214.13538	2.1
215.14314	36.9
217.12274	8.3
219.42149	2.1
227.18019	2.6
229.15874	3.6
231.13795	2.6
231.17360	14.7
237.16411	3.8
245.19107	2.9
255.17468	25.4
273.18527	100.0
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
51.66333	0.4
53.03949	1.0
55.01878	2.4
55.05272	0.6
55.05513	9.5
57.03433	1.1
57.07058	0.7
57.18958	0.5
59.05023	0.7
59.70515	0.4
62.86432	0.4
63.59904	0.4
65.03947	0.8
67.05509	12.1
69.03418	1.2
69.07069	5.2
70.56289	1.3
71.04980	1.1
72.08136	0.5
74.04111	0.5
79.05069	0.8
79.05500	10.8
81.03400	0.7
81.07068	8.5
83.04980	1.4
83.08621	3.3
85.06550	0.8
91.05489	21.3
93.07048	7.4
95.04969	2.6
95.08607	6.6
97.06528	1.2
97.10147	1.1
103.05470	1.1
104.00059	0.4
105.03408	1.0
105.07041	16.8
107.04959	4.4
107.08591	5.7
109.06519	2.1
109.10165	3.0
111.08075	1.2
115.05466	2.2
116.06227	2.0
117.07021	14.8
117.07858	0.8
119.04957	0.9
119.08588	16.4
121.06538	3.3
121.10145	2.0
123.08076	1.5
125.09661	0.6
128.06204	2.2
129.07008	8.7
130.07788	2.5
131.08577	34.8
132.05696	1.1
133.06500	3.5
133.10133	6.3
135.08055	2.8
135.11690	0.9
137.09671	0.6
141.06995	1.2
142.07764	1.6
143.08568	10.2
144.05811	0.5
144.09358	0.9
145.06512	2.8
145.10129	24.9
147.08058	10.9
147.11664	2.3
147.15892	0.5
148.08801	0.5
149.09631	2.2
151.11185	0.8
155.08588	1.4
157.06464	0.9
157.10132	6.8
159.08092	3.8
159.11682	5.9
161.09627	7.0
161.13254	0.6
163.07487	0.6
163.11188	1.7
167.08588	0.5
169.10139	1.8
171.08043	1.0
171.11685	3.8
173.09625	1.9
173.11873	0.7
173.13286	1.6
175.11195	5.0
176.40308	0.5
177.09052	1.0
177.12730	0.9
181.10080	2.1
183.11746	1.2
185.09679	2.4
185.13239	1.7
187.11215	1.4
187.14871	0.5
189.12727	1.5
195.11684	1.4
197.13222	0.5
199.11154	2.6
199.14818	0.8
203.10693	1.3
209.13354	1.0
210.06139	0.5
213.12701	1.0
213.16412	1.8
217.12173	0.7
227.17966	3.6
231.17502	1.0
233.75354	0.4
237.16353	3.2
245.19035	2.7
251.08366	0.5
255.17441	9.0
273.18506	100.0
274.18954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03944	2.3
55.01859	3.6
55.05516	23.7
57.03435	3.1
57.07060	1.2
59.05001	1.0
60.16900	0.9
65.03928	1.3
67.05183	1.0
67.05511	16.4
69.03423	1.8
69.07070	11.1
70.54803	2.5
71.04980	1.6
79.05499	15.3
81.07058	18.2
83.04982	2.4
83.08626	10.6
85.06531	2.3
91.05486	33.1
93.07054	12.1
95.04947	2.9
95.08611	11.0
97.06520	1.7
97.10165	4.2
103.05452	1.8
105.07039	29.9
107.04944	2.3
107.08610	7.7
109.06504	3.3
109.10135	2.6
111.08082	2.1
115.05444	5.7
115.87701	1.0
116.06225	3.9
117.07023	29.6
119.04898	1.6
119.08589	19.7
119.55291	1.0
121.06490	2.7
121.10135	2.9
123.08067	3.1
125.09600	2.2
127.38686	1.0
128.06232	7.8
129.07016	14.7
130.07797	7.7
131.08580	56.4
133.06509	5.5
133.10165	7.9
135.08069	3.9
135.11671	1.1
137.09608	1.2
141.06992	4.2
142.07784	3.5
143.08572	42.1
144.09319	2.8
145.06522	2.3
145.10133	62.8
147.08063	10.8
147.11682	3.4
149.09641	1.7
155.08559	3.2
156.09364	1.2
157.10135	18.2
158.10939	1.2
159.08061	3.9
159.11713	17.0
161.09621	8.2
163.11232	2.4
165.06985	1.2
167.08575	1.3
169.10136	7.2
171.11708	10.4
173.09608	2.4
173.13249	3.1
175.11218	3.5
177.12871	1.0
181.10103	3.5
183.11714	3.0
185.09586	1.1
185.13293	5.0
187.11212	1.2
189.12775	1.2
195.11674	7.0
199.11124	1.3
199.14738	1.9
201.12781	1.8
209.13229	1.5
211.14893	2.5
213.12680	1.6
213.16431	1.7
217.15833	2.2
227.17998	5.1
231.14000	1.1
237.16350	10.9
245.18959	3.2
255.17430	14.5
273.18509	100.0
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
53.03939	2.3
55.01871	4.6
55.05513	10.2
55.92851	0.6
57.03429	2.0
57.07045	1.1
57.91429	0.5
65.03935	1.1
67.05505	16.6
69.03418	1.9
69.06776	0.6
69.07076	6.9
71.04969	1.7
71.29281	1.4
72.08105	0.7
75.90089	0.6
79.05064	1.0
79.05498	15.9
81.03410	2.7
81.07060	18.8
83.04970	2.6
83.08612	3.9
85.06562	0.8
91.05486	28.6
93.07052	17.2
95.04971	5.7
95.08611	11.0
97.06535	2.6
97.10159	1.2
103.05445	1.9
105.04511	0.6
105.07035	29.2
107.04974	6.0
107.08594	8.6
109.06499	4.3
109.10192	3.9
111.08083	1.2
111.16198	0.6
115.03986	0.6
115.05463	2.7
116.06255	1.8
117.07021	11.7
119.04932	2.1
119.08585	16.4
121.06500	8.2
121.10152	5.8
123.08076	3.2
123.11725	0.8
128.06227	3.5
129.07002	9.5
130.07773	3.0
131.04929	1.1
131.08580	20.4
132.05730	0.6
133.06511	10.0
133.10136	11.5
135.04425	0.6
135.08057	4.6
135.11693	1.7
137.09631	2.5
141.07004	1.2
142.07767	1.6
143.08575	11.5
145.06543	3.0
145.10123	17.0
146.07217	1.1
147.08051	12.2
147.11684	5.7
149.05887	0.7
149.09639	3.5
149.15892	0.7
151.11162	1.7
155.08563	2.2
157.06493	1.1
157.10143	8.9
159.08070	5.1
159.11722	6.7
161.09641	13.6
161.13245	1.7
163.07503	0.7
163.11188	3.1
166.07950	0.7
169.10124	2.6
171.08060	1.0
171.11697	6.9
173.09625	3.1
173.13263	2.5
175.11205	6.2
175.14903	0.8
176.87320	0.6
177.09097	1.5
177.12770	1.6
181.10107	1.7
183.11678	1.1
185.09686	1.5
185.13249	3.1
187.11150	3.1
188.50951	0.6
189.12724	3.2
190.46165	0.7
191.10645	1.2
195.11656	1.7
199.11166	2.2
199.14882	0.8
201.12756	1.4
203.14360	1.1
203.17889	0.7
204.25941	0.6
211.14828	1.7
213.12720	2.0
213.16400	1.9
217.12209	1.6
227.17938	4.7
229.15891	0.9
231.13838	1.0
231.17456	1.6
237.16331	2.9
245.19041	10.0
255.17445	10.2
273.18506	100.0
274.18768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.01120	1.2
50.44518	1.3
51.56552	1.2
52.01727	1.3
53.03941	2.1
54.36499	1.1
55.05509	7.5
57.07069	5.3
59.04984	1.3
59.81049	1.3
65.03902	1.4
67.05507	12.4
69.03427	3.1
69.07063	9.2
70.50745	2.7
70.51101	3.3
71.04990	1.4
71.08660	1.3
72.08157	2.5
79.05497	11.6
81.03431	1.8
81.07060	18.8
81.72074	1.3
83.04974	3.0
83.08606	4.2
85.02882	2.0
85.06525	4.5
91.05485	22.2
93.07046	17.7
95.04977	6.8
95.08619	16.3
97.02936	1.7
97.06510	3.4
97.10127	2.7
99.04446	2.0
100.04039	1.3
103.05476	1.7
105.06396	1.7
105.07045	31.5
107.04963	3.2
107.08604	19.9
109.06530	22.6
109.10162	9.7
111.00867	1.3
111.08089	1.8
115.05421	2.2
117.07014	10.9
119.04958	9.4
119.08588	29.5
121.06521	2.7
121.10152	19.1
123.04423	2.1
123.08073	3.9
123.11726	2.9
128.06219	5.2
129.06993	8.9
130.07736	2.1
131.04997	1.3
131.08588	15.2
133.06491	8.9
133.10124	15.0
135.08090	9.1
135.11685	3.4
137.09602	2.2
137.13231	1.4
141.06992	4.5
142.07788	7.7
143.08572	18.5
144.09363	3.4
145.06450	1.7
145.10132	23.1
147.04424	24.2
147.08073	3.5
147.11688	13.1
149.09634	5.8
149.13251	3.7
151.07556	2.3
153.01843	60.5
153.06952	6.1
154.07802	2.4
155.08554	13.8
156.09366	14.4
157.10147	23.6
159.08084	5.1
159.11678	9.9
161.09636	5.8
161.13327	6.2
163.11116	2.3
163.14792	1.8
165.07002	5.2
166.07748	1.7
167.08571	5.9
168.09396	2.6
169.10118	18.9
170.07320	1.2
170.10936	6.2
171.11702	25.5
172.12476	1.7
173.09621	19.3
173.13277	7.8
174.10469	2.2
175.11172	10.1
175.14806	1.9
179.08553	2.5
181.06490	3.6
181.10144	9.1
182.10950	9.4
183.11664	11.0
184.12509	1.9
185.09631	2.6
185.13228	9.7
187.11174	3.9
187.14861	3.7
189.05557	2.6
189.12802	15.1
189.16367	2.6
193.10143	3.7
194.10840	2.6
195.11740	7.8
196.12463	4.0
197.09607	2.3
197.13271	35.3
198.14075	4.1
199.11212	17.1
199.14816	2.3
200.11899	1.4
203.14403	1.6
203.17963	1.5
203.47517	1.6
207.11719	4.4
208.12383	1.7
209.13216	3.0
211.14845	16.2
212.15628	12.2
213.09187	1.4
213.12738	5.0
213.16388	25.0
215.14304	8.9
217.12222	4.4
217.19528	1.8
222.14024	3.2
225.12737	5.9
225.83093	1.2
227.14275	12.5
227.17868	1.7
229.15858	8.2
230.16661	1.6
231.17369	4.4
237.16348	6.2
240.15114	5.9
241.08760	2.0
255.17453	54.1
273.07611	41.8
273.18503	100.0
273.21686	3.4
273.25607	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	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03958	0.3
55.01866	0.7
55.05511	1.3
57.07063	0.5
65.03946	0.6
67.01868	4.5
67.05508	3.3
68.99788	2.3
69.03436	1.9
69.07080	2.0
70.68102	0.7
70.68449	0.4
72.08145	0.8
79.01865	0.4
79.05489	2.4
80.51540	0.3
81.03410	0.7
81.07060	4.8
81.09869	0.3
83.01338	0.5
83.08617	1.0
84.08134	0.4
85.02919	0.6
91.04904	0.4
91.05482	8.6
93.07063	3.1
95.04975	2.2
95.08613	4.7
97.02914	2.8
97.06532	0.4
97.10163	0.5
103.05556	0.3
105.07034	3.0
107.04951	2.8
107.08597	3.5
109.06538	0.5
109.10157	3.1
111.00808	0.8
111.04432	0.4
111.11776	0.3
119.04949	16.0
119.08591	2.2
121.02849	0.4
121.06521	2.0
121.10154	2.6
123.04443	3.1
123.11710	1.2
125.02337	0.7
128.06184	0.3
129.01811	0.6
129.07072	0.7
131.08572	0.8
133.06485	0.4
133.10120	1.7
135.08078	0.5
135.11690	1.7
137.06050	0.4
137.13202	0.3
141.07025	0.4
145.06494	0.5
145.10149	0.9
147.04413	36.6
147.11659	1.3
149.05998	0.9
149.13290	1.7
151.03912	1.0
151.07497	0.5
153.01831	100.0
153.06985	1.1
154.02150	0.6
155.08591	0.4
157.06479	0.7
157.10147	0.5
159.11708	0.7
161.05937	0.8
161.13280	1.1
163.14793	1.0
170.10924	0.3
171.02896	10.6
171.07878	0.5
175.14847	0.6
177.16441	0.4
179.03412	1.3
181.06516	1.4
185.13213	0.4
189.05423	1.7
189.16382	1.0
198.06760	0.5
199.07605	0.4
199.14825	0.5
203.17950	1.2
207.06482	0.3
213.09120	1.0
215.66740	0.3
217.19553	0.8
227.18080	0.4
231.06580	0.6
231.20917	0.3
241.08575	1.2
255.06581	0.8
255.17426	0.7
255.21043	0.3
273.07581	67.2
273.18173	1.6
273.22165	1.3
273.25739	5.5
274.07950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62012	0.4
50.91541	0.4
53.03946	0.8
55.05515	4.2
56.05033	1.1
56.96569	4.6
57.03428	1.7
61.02924	1.3
68.05023	0.9
69.03426	2.1
70.06583	3.4
70.14529	0.4
70.22914	1.5
71.98819	0.5
72.08150	1.5
73.02905	1.7
73.06554	3.4
79.05505	2.3
79.23492	0.4
81.03430	0.9
81.04536	1.8
81.07059	11.3
82.05312	2.5
83.05625	1.0
83.06106	13.2
84.08159	2.4
84.96021	0.8
85.02910	3.6
86.09677	0.5
93.04527	6.9
95.05501	1.0
95.06091	14.8
95.90073	0.5
97.02912	2.9
97.82868	0.4
98.06062	1.1
98.57249	0.5
98.97582	8.7
99.04440	0.9
101.00835	0.5
107.06072	0.9
109.02900	0.7
110.01316	0.6
110.07168	100.0
110.97555	0.9
111.05573	2.0
112.08727	3.3
113.03629	0.5
116.98620	2.5
119.01837	1.9
124.03956	4.9
124.08702	1.5
124.99151	0.7
125.07072	1.0
127.03899	0.6
128.02274	0.6
129.10217	0.9
134.99654	0.5
137.05916	0.5
138.06598	0.6
139.05069	0.5
143.00168	1.2
143.01762	0.7
146.04097	1.2
147.03258	1.5
155.01846	0.6
155.04660	11.2
155.54871	0.7
156.07686	11.0
158.99670	3.7
161.02994	0.6
163.12302	8.5
164.05171	3.7
165.04379	0.9
170.99684	0.6
173.02893	0.5
177.00696	1.7
182.03314	1.2
190.13400	4.0
191.03947	1.1
191.07565	2.2
193.13333	0.7
198.13544	1.2
206.06219	1.8
208.04939	0.5
208.14452	12.0
209.12907	0.7
210.15984	1.6
211.14415	1.2
212.08179	0.7
218.06187	0.8
219.01772	1.7
226.15512	19.7
227.06789	7.3
227.13914	1.7
227.56982	1.5
228.17058	1.1
236.13826	0.7
237.02806	0.8
254.12364	0.8
254.15019	15.9
272.07666	1.4
272.10110	2.9
272.16061	84.6
272.60123	0.9
273.16254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	Genistein
Peak:m/z	Relative Intensity
53.03943	0.3
54.10513	0.1
55.01863	0.3
55.05513	0.3
57.03433	0.3
57.07078	0.2
65.03938	0.7
67.05502	0.8
68.05022	0.3
68.99789	2.2
69.03445	0.8
69.07059	0.5
71.05006	0.2
71.55714	0.2
72.08145	0.2
73.50771	0.1
79.05495	1.2
81.03428	1.2
81.05777	0.2
81.07047	1.1
83.04984	0.2
83.08622	0.2
85.02882	0.2
85.06519	0.3
87.04459	0.2
89.03911	0.6
91.05487	1.3
93.07059	0.8
94.06567	0.2
95.01327	0.5
95.04977	0.4
95.08610	0.9
96.08128	0.8
97.02889	0.5
97.06522	0.3
98.97588	0.9
99.04422	0.2
105.07048	0.9
107.04940	1.0
107.08602	1.1
109.02905	0.9
109.06519	0.4
109.10154	1.0
111.04437	0.7
115.05400	0.2
116.98670	0.3
117.03395	0.7
117.07022	0.2
118.06548	2.2
119.04910	0.3
119.07323	0.3
119.08590	0.7
120.08120	0.3
121.04020	0.4
121.06510	0.4
121.10143	0.7
122.06137	0.2
123.11656	0.3
124.07596	6.9
125.05952	0.2
126.09113	0.2
127.03912	0.5
129.06972	0.3
131.08568	0.6
133.10165	0.7
135.04428	3.7
135.08026	0.2
135.11684	0.4
137.02341	10.3
137.05911	0.9
141.06973	1.1
143.08566	0.4
145.06462	0.2
145.10104	0.5
146.06001	1.0
147.04384	0.1
147.06801	0.9
147.11720	0.4
148.07574	4.6
149.13272	0.3
152.06245	0.4
153.01804	0.2
153.05875	0.1
153.06969	0.8
154.07689	0.2
155.03423	2.5
155.08592	0.5
157.06461	0.5
157.10115	0.3
159.08002	0.4
159.11710	0.3
161.02344	5.2
161.13219	0.2
165.06976	1.5
168.05708	0.3
169.06477	1.1
171.08104	0.2
171.11803	0.2
173.06020	0.4
173.13319	0.3
175.07529	0.1
175.14757	0.4
181.06522	0.5
181.10066	0.2
182.07271	0.2
183.07980	0.8
183.11652	0.2
185.05989	0.6
185.13274	0.8
187.07661	0.2
187.14810	0.1
191.14291	0.2
193.06325	0.3
196.05206	0.4
197.05952	1.5
197.09613	0.2
197.13319	0.2
201.16447	0.3
205.08031	0.5
207.04353	0.2
210.06729	0.2
211.07561	1.0
213.05484	0.2
213.12764	0.2
214.08615	1.0
215.06995	0.5
215.17876	0.1
221.05925	0.2
225.05440	0.9
225.09010	0.2
228.04074	0.2
229.04973	0.2
239.07072	0.5
243.06517	0.8
243.10220	0.3
243.14998	0.3
253.04912	0.8
253.19351	0.2
256.07425	0.2
271.06012	100.0
271.20721	1.2
271.23911	1.2
272.06400	1.5
289.11108	0.2
289.15494	0.5
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	Apigenin
Peak:m/z	Relative Intensity
53.03940	0.5
55.01863	0.4
55.05265	0.2
55.05513	3.3
57.03439	2.5
57.07067	0.5
65.03941	0.5
67.01870	1.5
67.05509	5.6
68.99789	1.0
69.03431	0.7
69.06721	0.3
69.07073	3.6
69.46432	1.2
71.04990	1.1
71.59975	0.1
79.05499	2.9
81.03422	0.3
81.07062	8.9
83.04966	0.5
83.08618	1.9
85.06555	0.7
91.05489	4.6
93.07052	3.2
95.04967	0.5
95.08611	9.1
97.02869	0.3
97.06542	1.2
97.10152	0.7
97.67850	0.1
98.21506	0.3
99.08082	0.5
101.06010	0.2
105.07030	3.6
107.04953	0.5
107.08603	1.7
109.06483	0.4
109.10154	2.3
111.08047	0.4
113.09652	0.1
115.05467	0.3
117.07023	0.6
119.04948	4.8
119.08585	3.7
121.02863	1.8
121.06503	0.3
121.10163	1.3
121.74374	0.2
123.04416	0.4
123.08084	0.6
123.11697	0.4
125.09653	0.2
127.03911	0.3
127.11186	0.1
128.06239	0.2
129.01834	0.5
129.06990	0.7
130.07834	0.2
131.04916	0.3
131.08574	1.5
133.06451	0.3
133.10130	2.1
135.04376	0.2
135.08081	0.2
135.11690	1.1
137.05986	1.7
137.09616	0.4
137.13251	0.7
141.07016	0.6
142.07793	0.3
143.08545	0.5
144.09282	0.2
145.02882	1.4
145.06430	0.5
145.10133	2.0
147.04431	0.2
147.08055	0.3
147.11655	0.9
149.02351	0.2
149.05951	0.2
149.13226	0.4
151.03917	0.2
151.11131	0.2
152.06281	0.3
153.01834	9.9
153.06999	0.9
155.08588	0.8
157.06509	0.3
157.10159	1.2
159.08061	2.0
159.11697	1.7
161.09647	0.3
161.13261	2.8
163.03931	0.9
163.14844	0.2
165.07010	1.8
167.08522	0.2
168.05733	0.3
168.08121	0.4
169.06502	0.5
169.10112	0.5
171.02882	1.1
171.08072	0.2
171.11728	0.7
173.09560	0.3
173.13271	1.4
175.11194	0.2
175.14824	0.5
177.16335	0.2
179.14360	0.9
181.06499	0.4
182.07263	0.2
182.11035	0.2
183.08040	0.8
183.10365	0.3
183.11717	0.6
185.06055	0.2
185.09718	0.4
185.13289	0.4
187.03918	0.5
187.11140	0.2
187.14839	0.8
189.16394	0.3
193.06422	0.3
196.05125	0.3
196.12477	0.2
197.05959	0.7
197.09541	0.2
197.13315	0.9
198.12782	0.5
199.14838	0.2
201.16383	0.4
203.06952	0.2
210.06578	0.2
211.07523	1.2
211.14861	0.3
213.05453	0.2
213.10332	0.2
213.16440	0.2
215.07042	0.7
215.10693	0.2
215.17937	0.6
219.09525	0.1
221.06017	0.3
224.08716	0.2
225.05510	0.6
225.09164	0.2
225.12683	0.2
225.16371	0.5
226.12311	0.8
227.11786	0.5
227.18016	0.4
229.05028	0.6
229.19545	0.2
239.07265	0.3
242.09332	0.2
243.06508	0.8
243.10220	0.3
243.14999	0.9
243.21114	0.5
253.04877	0.3
253.08746	0.2
253.15785	0.3
253.19690	0.5
255.11343	0.4
256.12070	0.4
270.05124	0.2
271.06024	100.0
271.14124	1.6
271.18777	4.0
271.23816	2.9
272.06375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.7
55.05520	5.8
55.93525	3.3
56.96571	3.1
57.03431	3.3
59.01396	3.4
59.04999	14.2
60.04512	3.7
61.02919	4.0
66.82269	3.1
69.03426	4.7
70.06597	23.4
71.53720	4.8
71.69000	3.4
72.08150	13.6
75.04475	8.4
79.05544	4.5
84.04528	9.5
84.08143	11.6
85.02902	7.3
86.09707	7.1
87.04484	32.4
89.06013	4.0
91.05476	6.2
95.06074	4.9
96.04514	3.0
97.02939	3.3
98.06041	4.9
98.97567	5.0
103.03928	11.6
104.87283	3.3
110.07172	18.7
120.08102	7.0
124.07594	5.8
128.07106	6.0
131.03415	14.8
133.96463	3.4
136.07603	4.8
149.00549	6.1
161.04486	40.6
178.07707	4.8
179.11847	4.1
192.04929	5.3
217.03462	100.0
224.10818	6.7
224.13928	7.9
235.04453	21.7
242.19980	5.4
270.14630	30.1
270.17209	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	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03935	2.9
55.01870	2.6
55.05272	1.9
55.05513	19.8
57.03442	24.6
57.07053	2.0
65.03922	3.0
67.05505	77.9
67.53644	1.3
69.03413	1.7
69.06725	1.7
69.07069	23.3
70.95138	1.9
71.05009	6.1
73.02882	1.5
77.03899	1.6
79.05495	45.8
81.03408	2.1
81.07059	100.0
83.04987	9.6
83.08624	20.6
85.06541	6.0
91.05481	35.1
93.07045	68.0
95.05003	7.9
95.08611	25.7
95.09190	0.8
97.06534	20.2
97.10171	1.8
99.08075	5.2
100.46678	1.1
103.03937	1.3
105.04514	2.0
105.07026	17.9
107.04918	1.9
107.08596	31.8
109.06506	4.4
109.10143	5.0
111.08088	10.6
113.05968	1.7
115.05445	2.7
115.83120	1.2
117.06359	1.3
117.07038	16.9
119.08591	6.0
121.06535	2.0
121.10163	13.0
123.11686	5.2
129.06975	1.7
131.08562	19.5
133.10123	21.7
135.08055	2.4
135.11691	14.3
142.07767	1.8
143.08542	2.9
145.10098	4.4
147.07883	1.2
147.11658	3.0
149.09613	1.8
149.13264	37.7
151.11127	3.6
154.02652	1.4
157.10091	4.9
159.11710	36.3
161.13237	4.2
169.10133	2.1
171.11665	4.1
173.13249	2.8
177.12766	16.8
179.14236	1.8
181.06467	1.6
185.13245	2.1
187.14848	2.0
195.13788	12.0
197.05968	2.5
198.06595	1.6
200.86217	1.2
211.14886	1.6
213.16527	2.7
226.06241	2.3
227.12007	1.3
227.17915	1.6
237.05426	1.8
253.04919	2.0
254.05769	3.0
269.08142	24.7
269.12686	3.0
269.17444	56.6
269.22238	13.6
271.44058	1.3
281.06110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01887	1.9
55.05267	0.6
55.05513	8.3
57.03439	12.4
57.07063	1.4
62.24544	0.3
65.03926	1.1
67.05508	31.9
69.07071	11.6
70.29784	1.0
71.04988	2.4
79.05496	18.6
79.85969	0.3
81.03404	1.1
81.07060	38.1
83.04981	4.2
83.08625	8.5
85.06539	2.0
91.05488	11.7
93.07050	27.8
95.04972	2.9
95.08613	10.6
97.02894	0.5
97.06537	6.1
97.10169	0.8
98.50034	0.3
99.08083	1.4
103.05482	0.4
103.48136	0.3
105.07034	5.3
107.04950	2.8
107.08601	13.3
108.02111	0.5
109.06528	1.2
109.10143	2.2
111.08087	4.2
113.09669	0.5
117.07031	5.6
118.04170	5.7
119.08587	2.1
121.06570	0.8
121.10157	6.7
123.08071	0.5
123.11723	1.3
129.07042	1.0
131.08580	5.0
133.06496	1.5
133.10136	6.6
135.08064	0.7
135.11705	4.9
136.01556	0.8
137.02341	2.2
139.11201	0.5
141.06914	0.5
142.07768	0.5
143.08604	1.2
144.09358	0.5
145.10104	1.3
147.04353	0.4
147.11687	1.2
149.09657	0.5
149.13266	17.3
151.11203	1.0
152.06169	0.4
153.07048	0.6
154.02623	2.0
155.08533	1.8
156.05682	1.1
157.06493	0.9
157.10146	2.2
158.07306	0.6
159.10443	0.7
159.11705	9.4
159.13031	0.6
161.13271	0.9
163.03920	0.7
165.07001	0.5
167.14323	0.6
169.06386	0.5
169.10088	0.8
170.07292	1.5
171.11703	1.7
173.09642	0.4
173.13252	0.8
177.12753	4.6
181.06532	2.3
181.10117	0.6
182.07312	1.3
183.08043	0.4
183.11722	0.9
184.05205	0.4
185.09683	0.8
185.13266	1.2
187.14856	0.6
195.08029	0.5
195.11971	0.6
195.13832	6.0
197.05994	4.9
198.06784	2.7
199.07527	0.4
199.11128	0.7
199.14882	0.7
209.05901	0.4
209.13226	0.5
211.14894	0.6
213.09131	9.6
213.12711	0.4
213.16412	0.9
214.09468	0.5
222.13972	0.4
223.07692	0.4
223.14906	0.6
225.05475	2.7
225.16347	1.2
226.06253	6.9
227.17982	0.6
229.94492	0.4
237.03186	0.7
237.05482	9.4
241.08585	0.6
241.19427	0.4
251.17986	0.7
253.04967	9.2
254.05763	10.0
269.08096	100.0
269.17282	18.6
269.22693	3.1
270.08438	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.86076	1.0
53.03926	4.0
55.01851	3.4
55.05513	20.0
57.03440	29.4
57.07065	2.7
65.03934	2.2
67.05508	76.6
69.03444	1.2
69.07074	27.9
70.95496	2.6
71.05006	6.0
71.08624	1.5
73.02908	1.5
78.46059	1.0
79.05495	48.4
81.03398	1.5
81.07061	100.0
83.04986	9.9
83.08623	17.9
85.06553	5.7
91.04973	1.9
91.05485	27.1
93.07048	67.4
95.04971	7.2
95.08060	1.4
95.08616	20.3
97.06538	18.7
97.10140	2.5
99.08107	5.4
99.22540	1.1
105.04518	1.5
105.07024	12.0
107.08601	31.2
109.06504	2.6
109.10131	5.2
111.08069	9.3
113.09619	1.5
115.05421	1.1
117.07022	10.8
119.08547	4.8
121.06500	2.2
121.09463	1.2
121.10155	16.3
123.11697	4.3
131.08583	11.9
133.10143	13.3
135.08096	1.3
135.11691	12.0
139.11156	1.6
145.10066	1.7
147.11681	2.6
149.13269	40.6
151.11093	1.7
156.21860	1.2
157.10040	1.7
159.10454	1.8
159.11699	28.4
161.13263	3.2
173.13234	2.2
177.12747	11.3
179.14238	1.6
185.09714	1.2
185.34497	1.0
195.12096	1.6
195.13829	13.6
196.90652	1.1
197.05934	1.3
199.14799	1.3
213.09148	2.3
226.06427	1.4
237.05478	1.4
254.05685	1.3
269.08163	12.2
269.17441	53.9
269.22546	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	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83973	1.0
51.82743	1.1
53.03941	3.5
55.01849	3.4
55.05515	18.2
55.54950	1.1
57.03194	1.9
57.03442	25.0
57.07069	2.8
65.03940	3.4
67.05510	65.9
69.03405	1.6
69.04566	1.1
69.07072	24.2
70.89785	1.0
71.05003	5.5
71.28881	2.4
73.02918	1.1
79.05499	45.1
79.05963	2.2
81.03440	2.4
81.07063	90.1
83.04993	9.0
83.08620	16.6
85.02888	1.5
85.06545	5.5
91.05486	28.9
93.07050	66.1
95.04964	6.5
95.08615	22.0
95.13334	1.1
97.06544	14.5
97.10176	2.8
99.08088	4.9
101.78928	1.3
105.04539	2.3
105.07037	11.9
107.04941	2.9
107.08604	31.8
109.06516	3.6
109.10133	4.0
111.08109	7.8
113.06028	1.5
113.09622	1.4
115.05495	1.4
117.07022	11.2
118.04163	5.4
118.26347	0.9
119.08583	5.7
121.06467	2.4
121.10146	18.1
123.11719	2.8
125.09673	1.3
129.07051	2.1
131.08577	11.7
133.10141	11.9
135.08028	2.8
135.11708	10.9
137.02371	2.4
139.11107	1.5
141.06999	1.4
145.10162	2.4
147.11711	1.7
149.09619	1.7
149.13266	41.1
151.11182	1.6
154.02597	1.3
155.08536	1.5
157.10143	3.6
159.11700	22.9
161.13332	1.8
169.10182	1.1
170.07253	1.4
171.11696	1.5
173.13257	1.5
177.12782	12.9
181.06537	1.6
185.13237	1.5
195.13805	12.7
197.05952	6.2
198.06694	2.5
199.07588	1.4
211.14813	1.7
213.09114	9.3
225.05490	2.6
226.06369	6.8
237.05417	8.3
253.05054	6.6
254.05753	10.3
269.08105	100.0
269.11368	4.5
269.17465	47.8
269.22144	7.4
270.08545	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	3.6
53.16322	0.9
55.01873	2.3
55.05263	1.6
55.05513	18.8
57.03441	32.8
57.07069	4.3
60.26446	0.9
60.54679	0.9
65.03934	3.3
67.05509	75.6
68.78471	1.0
69.03432	1.2
69.07074	29.0
69.31838	5.0
69.32249	2.7
71.05003	7.4
71.08627	1.1
77.03907	1.5
79.05499	44.3
81.03412	2.7
81.07063	100.0
83.04987	9.4
83.08624	17.1
85.06548	5.8
91.04900	1.2
91.05483	25.4
93.07050	72.9
95.04984	5.0
95.08614	26.7
97.06539	16.1
97.10170	2.2
98.21518	2.1
99.08092	4.0
103.03930	1.4
105.04510	1.1
105.06406	1.0
105.07037	13.7
107.04932	0.9
107.08603	32.4
109.06448	1.9
109.10148	6.1
111.08095	10.0
111.11703	1.1
113.06051	1.2
113.09617	1.3
115.05420	1.2
117.07043	9.1
119.08589	3.7
121.06499	1.2
121.10152	18.5
123.11684	4.0
129.06978	1.9
131.08571	13.6
133.10141	13.1
135.08061	2.2
135.11707	11.3
139.11206	1.7
143.08548	1.2
145.10146	2.0
147.11700	2.2
149.13266	42.2
151.11139	1.7
157.10135	3.0
159.11710	22.6
161.13220	1.3
167.14310	1.2
171.11691	1.3
173.13264	1.6
177.12755	12.2
195.13824	12.4
199.14752	1.1
208.92767	0.8
209.05879	1.0
213.16502	1.6
254.05676	1.5
269.08093	14.1
269.11172	1.9
269.17477	49.9
269.22562	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	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03944	4.2
55.01868	2.9
55.05266	1.7
55.05514	24.7
57.03441	31.2
57.07060	3.4
64.19807	1.0
65.03930	3.0
67.05509	88.5
69.07070	29.9
70.46185	1.7
70.46518	2.2
70.72881	1.0
71.01332	1.3
71.04992	6.1
71.25409	1.0
72.97768	1.1
73.02924	1.4
75.32585	1.0
79.05499	51.4
80.53488	1.2
81.03397	2.0
81.07063	100.0
83.04992	12.4
83.08622	18.4
85.06539	5.9
91.04902	1.1
91.05485	28.8
93.07048	69.9
95.04970	7.3
95.08614	29.0
97.06535	15.8
97.10150	2.2
99.08096	4.8
105.04445	1.0
105.07030	12.7
106.86449	1.0
107.08601	35.9
109.06521	4.9
109.10149	5.5
111.04430	1.8
111.08097	10.0
111.11654	1.8
113.05952	1.5
117.07015	13.0
119.08594	5.6
121.06493	2.3
121.10145	19.4
121.61161	1.0
123.11721	4.7
129.07004	1.7
131.08583	14.9
133.10141	18.7
135.08083	2.5
135.11705	11.2
143.08562	2.8
144.09277	1.3
145.10080	2.9
147.11685	4.2
149.13268	42.6
151.11203	2.3
151.29706	1.2
157.10120	4.2
159.10442	2.1
159.11705	29.0
159.13017	1.8
161.13254	2.8
167.14412	1.1
171.11691	4.2
173.13292	3.0
177.12775	11.7
179.14325	1.4
185.13266	1.8
195.13844	13.4
199.14804	2.2
211.14870	1.5
213.16454	2.4
227.17896	1.6
269.08112	3.4
269.17490	59.2
269.22562	27.6
269.25534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03930	3.0
55.01859	3.7
55.05511	22.3
57.03438	39.3
57.07083	4.4
65.03922	3.1
67.05506	76.9
67.24938	0.7
69.07071	34.4
70.26717	2.8
71.04996	6.9
71.08624	0.8
73.02897	1.0
73.85079	0.8
75.56949	0.7
77.03888	1.3
79.05494	47.7
81.03394	1.9
81.07057	100.0
83.04983	11.2
83.08149	1.3
83.08620	19.9
85.06549	6.7
91.05486	26.0
93.07044	74.6
95.04972	9.1
95.08607	27.2
97.02870	1.3
97.06535	17.8
97.10138	2.7
99.08078	5.0
101.06026	0.9
102.75587	0.8
105.07034	10.2
107.04950	1.6
107.08597	40.3
109.06499	3.7
109.10143	5.6
111.08094	10.4
113.05984	1.1
113.09608	1.9
115.05484	0.9
117.07008	11.3
118.04118	1.1
119.08589	4.3
121.06495	2.8
121.09328	1.5
121.10152	24.0
123.08045	0.8
123.11671	3.3
129.07004	1.1
131.08557	13.0
133.10133	11.7
135.08044	3.2
135.11697	11.9
139.11150	2.4
143.08499	1.4
145.10144	1.6
147.11665	2.1
149.09520	1.1
149.13261	53.7
151.11176	1.5
153.06949	0.9
153.09099	1.0
157.10098	1.8
159.10461	1.3
159.11696	20.0
167.14305	1.3
171.11665	1.7
177.12762	11.2
181.06361	0.9
185.13217	1.1
195.13809	15.1
197.05902	1.1
198.06763	1.2
199.14801	0.9
209.13402	0.8
213.09045	1.8
213.14658	0.9
226.06215	1.5
237.05426	2.4
253.04883	1.8
254.05731	1.9
269.08087	24.4
269.17444	41.8
269.22592	7.1
270.17819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96738	1.0
53.03934	4.0
55.01859	3.2
55.05511	25.0
57.03440	32.5
57.07055	3.7
65.03934	3.3
67.05508	76.6
69.03416	1.8
69.07072	30.5
70.31380	2.1
70.31787	2.3
71.04991	6.1
71.08618	1.4
72.68575	0.9
73.02926	1.2
73.13815	1.0
75.71210	1.1
79.05495	51.0
79.09237	1.1
81.03407	2.9
81.07060	100.0
83.04984	11.2
83.08626	20.6
85.06561	6.7
90.01642	0.9
91.05482	28.9
93.07048	68.3
95.04992	6.3
95.08607	26.6
97.06533	16.2
97.10148	3.2
99.08083	4.3
100.58994	1.1
105.07032	11.9
107.08600	35.7
109.06513	4.4
109.10142	4.3
111.08093	7.8
111.11680	1.0
113.06004	1.3
113.09637	1.8
115.05444	1.2
117.07018	12.1
119.08571	2.8
121.06487	1.8
121.09301	1.8
121.10140	19.2
123.11696	3.8
125.09639	1.2
129.07033	1.2
131.08580	15.6
133.10146	16.3
135.08064	1.9
135.11673	9.5
139.11169	2.2
143.08606	1.1
147.11717	1.4
149.09557	1.7
149.13266	42.7
151.11163	2.6
157.10101	1.9
159.10428	1.9
159.11700	23.9
161.13248	1.9
167.14259	1.0
171.11633	1.9
177.12758	9.7
183.11641	1.0
184.68947	1.3
185.13287	1.9
195.13831	14.3
231.35721	1.1
263.91638	0.9
269.08218	6.3
269.17456	60.0
269.22577	6.7
273.96378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03931	4.0
55.01854	3.0
55.05517	24.0
57.03440	29.7
57.07055	4.7
60.62237	0.9
65.03931	1.5
67.05508	76.1
69.03426	2.1
69.06739	2.0
69.07075	30.2
70.31366	3.4
71.05005	8.6
71.08609	1.3
73.02928	1.1
77.03905	1.1
79.05499	44.5
81.03399	3.5
81.07063	100.0
83.04993	15.0
83.08629	18.2
85.06540	5.5
91.05489	28.1
93.07051	69.1
95.04980	6.5
95.08605	26.5
97.06535	17.4
97.10185	2.9
99.04485	1.0
99.08084	4.6
105.04509	1.2
105.07035	11.1
107.04929	1.5
107.08606	34.2
109.06512	3.0
109.10183	6.2
111.04439	2.1
111.08099	7.1
113.05984	1.2
116.06203	1.0
117.07019	12.2
119.08546	4.5
121.06490	3.0
121.09344	1.2
121.10158	21.5
123.11679	4.5
127.07530	1.0
131.08580	13.3
133.10133	13.9
135.08032	3.1
135.11700	14.6
139.11143	1.0
143.08543	1.8
145.10071	2.0
147.11591	1.3
149.09486	1.2
149.13268	40.3
151.11127	1.3
157.10077	1.8
159.11702	21.6
161.13210	1.4
167.14285	1.6
171.11647	2.1
177.12790	12.4
185.13202	2.7
195.13789	13.1
199.14792	1.3
213.16470	1.5
220.68983	1.0
221.77643	1.0
226.05972	1.2
269.08295	7.9
269.17435	57.6
269.22537	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	269.0809
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.05509	0.6
55.08238	0.2
57.03427	0.6
65.62125	0.2
67.05514	1.7
68.24126	0.2
68.99774	0.3
69.07063	0.7
70.09130	1.0
78.65585	0.2
79.05502	1.4
79.06546	0.3
81.07062	2.4
83.08626	0.6
83.25511	0.3
90.04728	0.2
91.05454	0.6
93.07045	1.5
95.08594	0.5
97.06535	0.6
98.21508	0.2
105.07032	0.5
107.04961	2.6
107.08589	0.7
108.02116	0.5
118.04173	5.4
121.10177	0.4
131.08488	0.3
133.06488	1.1
133.10104	0.4
136.01540	0.8
137.02342	1.8
149.13237	1.0
152.06247	0.6
153.06929	0.3
154.02666	1.9
156.05710	1.1
157.06456	0.4
158.07248	0.4
159.11655	0.5
163.03946	0.4
165.06963	0.5
169.06506	0.4
170.07259	0.7
177.12727	0.4
181.06522	1.5
182.07280	1.2
184.05220	0.6
195.13872	0.5
197.05989	4.6
198.06790	2.1
200.04700	0.3
209.05998	0.4
211.07465	0.2
213.09120	8.1
225.05479	2.4
226.06264	6.8
237.05478	8.4
241.08577	0.4
253.05002	8.5
254.05768	8.6
269.08099	100.0
269.17368	1.5
270.08371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.3
55.01860	4.0
55.05268	1.5
55.05513	21.5
57.03441	34.1
57.07051	3.2
65.03924	2.3
67.05509	74.7
69.03381	1.4
69.06733	1.4
69.07075	24.9
69.54492	1.0
69.62001	7.9
71.04986	6.0
73.02905	1.0
73.11205	1.0
73.74553	1.1
79.05499	45.2
81.03417	1.7
81.07062	100.0
83.04976	10.9
83.08624	19.0
85.06516	4.9
91.05489	24.7
93.07047	65.6
95.05000	6.3
95.08067	1.4
95.08610	24.4
96.08951	1.1
97.06537	15.7
97.10144	2.3
99.08067	4.7
103.03947	1.2
105.07043	12.7
107.04911	1.6
107.08606	32.0
109.06490	1.9
109.10138	4.6
111.08111	8.8
111.11700	1.3
112.12082	1.1
113.05959	1.6
117.07019	10.0
119.08534	3.4
121.06509	1.8
121.09322	1.6
121.10145	17.7
123.11679	3.0
131.08565	12.5
133.10138	13.1
135.08018	2.6
135.11708	10.0
139.11197	1.8
147.11684	3.5
149.09564	1.6
149.13271	45.0
159.11703	23.8
167.14291	1.6
177.12750	9.9
195.13812	15.4
269.08029	6.6
269.17444	47.1
269.22610	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.14444	1.6
53.03935	5.6
55.01871	1.8
55.05263	2.1
55.05515	22.5
56.26080	1.6
57.03440	33.3
57.07072	3.0
65.03934	2.4
66.04323	1.3
67.05510	84.4
69.07069	26.9
70.45921	5.3
71.04980	6.6
79.05067	3.0
79.05500	45.4
81.07060	100.0
83.04983	13.5
83.08624	20.2
85.06538	5.3
91.05492	25.7
93.07047	71.2
93.07635	3.2
95.04965	4.5
95.08605	25.5
97.06544	15.6
97.10190	1.9
98.46772	1.5
99.08105	3.6
104.86308	1.7
105.07049	11.7
107.08597	37.3
109.06532	5.3
109.10159	5.7
111.08098	10.5
117.07034	15.1
119.08601	3.4
121.10149	17.4
123.11702	4.8
131.08560	15.1
133.02809	1.7
133.10129	17.8
133.97765	2.0
134.70099	1.7
135.08005	3.3
135.11702	13.1
139.11206	2.6
149.09692	3.0
149.13268	39.0
151.11201	2.2
159.11697	21.6
161.13455	1.6
177.12769	12.0
177.43092	1.6
195.13780	15.2
224.33823	1.7
241.08748	4.0
269.08157	9.7
269.17484	65.9
269.22409	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02392	0.8
53.03947	3.8
55.01882	3.3
55.05515	22.0
57.03441	30.4
57.07081	3.9
59.05016	0.9
65.03949	2.7
67.05508	78.5
69.03439	1.4
69.07068	28.5
71.04993	7.3
71.08640	1.4
71.15050	1.7
71.64063	0.6
73.02924	1.1
77.03893	0.8
79.05496	48.8
81.03430	3.6
81.07060	100.0
83.04987	11.8
83.08625	19.4
83.37267	0.7
85.02916	1.0
85.06537	6.5
86.40089	0.7
91.05485	27.1
93.07047	74.1
95.04974	8.0
95.08611	27.3
97.06538	18.6
97.10172	2.3
99.04471	1.1
99.08096	3.9
100.94849	0.6
105.07031	13.2
107.04955	1.4
107.08599	39.4
109.06506	4.0
109.10154	6.2
111.08076	8.6
111.11691	0.9
113.06002	1.2
113.09655	1.8
117.07039	12.7
118.04202	0.9
119.08606	5.3
121.06482	1.9
121.10146	20.6
123.08052	1.1
123.11726	3.5
125.09645	1.5
127.07572	0.7
128.06177	1.4
129.05493	0.7
129.07021	1.3
131.08565	14.2
133.10147	16.5
135.08029	2.7
135.10712	0.7
135.11702	12.2
139.11162	2.0
142.07733	0.8
143.08566	1.8
145.10091	2.4
147.11679	3.2
149.09592	1.5
149.13264	42.2
150.13518	0.6
151.11165	2.1
155.08601	1.4
156.09283	0.9
157.10092	3.0
159.11708	25.7
161.13229	2.6
167.14290	1.5
167.86978	0.6
169.10120	1.4
171.11665	2.0
173.09651	0.8
173.13249	1.3
177.12781	11.8
179.14313	1.6
183.11696	1.8
185.09650	0.9
185.13240	2.7
195.11867	1.3
195.13789	13.8
196.12567	0.7
197.05876	0.7
197.13231	1.1
199.14745	1.1
209.13274	1.5
213.09041	2.4
213.12837	1.1
213.14772	1.7
213.16527	0.9
225.16301	1.3
226.06226	1.6
227.11838	0.8
227.14363	0.9
227.17955	0.9
237.05376	1.3
239.98364	0.8
241.19463	1.0
251.20097	0.8
253.05087	1.1
254.05733	1.5
269.04578	0.9
269.08115	18.9
269.12598	1.4
269.17368	49.8
269.22519	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0806
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.01870	0.2
59.41489	0.1
65.44271	0.1
67.05497	0.1
68.99783	0.3
69.47938	0.8
69.60773	0.1
71.60152	0.1
72.04652	0.1
73.04143	0.1
79.05479	0.5
81.07041	0.4
86.73549	0.1
90.04698	0.2
91.05484	0.3
95.05009	0.1
95.34810	0.1
103.05442	0.2
105.07018	0.4
107.04287	0.2
107.04963	2.9
107.08571	0.1
108.02090	0.8
110.56758	0.1
118.04163	5.3
123.04423	0.2
129.06975	0.1
129.39375	0.1
133.02855	0.3
133.06517	0.8
135.04437	0.1
135.83644	0.1
136.01561	0.9
137.02336	2.0
147.04407	0.2
149.13226	0.1
152.06218	0.4
153.07014	0.6
154.02612	2.0
156.05688	1.3
157.06467	0.3
157.10094	0.2
158.07281	0.3
163.03915	0.5
165.07007	0.3
169.06502	0.6
170.07278	1.2
180.05754	0.2
181.06470	2.0
182.07289	0.7
183.08015	0.3
184.05193	0.4
185.09641	0.4
195.08043	0.3
196.05212	0.2
197.05980	5.3
198.06763	2.5
199.07436	0.2
200.04634	0.3
209.05975	0.3
213.09114	9.2
225.05475	2.3
226.06247	6.9
237.05473	8.6
241.08669	0.4
253.04961	8.9
254.05753	9.1
255.06325	0.2
258.05243	0.2
269.08081	100.0
270.08456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0806
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
53.03937	0.5
55.01866	0.4
55.05514	1.6
57.03439	1.7
65.03933	0.3
67.05510	6.9
68.99800	0.3
69.07072	1.8
69.25649	0.2
70.89260	0.5
71.04974	0.6
79.05508	3.6
81.03398	0.3
81.07066	7.7
83.04998	1.4
83.08630	1.4
85.02893	0.3
85.06530	0.6
90.04716	0.3
91.05489	2.5
93.07048	5.5
95.04963	0.9
95.08618	2.9
97.02881	0.2
97.06555	1.3
97.10168	0.4
99.08106	0.5
103.05486	0.5
105.03380	0.2
105.07038	1.3
107.04974	3.1
107.08609	2.3
108.02087	0.6
109.06555	0.2
109.10159	0.9
111.04466	0.4
111.08076	0.9
112.35270	0.2
117.07019	1.2
118.04173	6.2
119.04928	0.2
119.08616	0.5
121.10163	1.5
123.04417	0.4
123.11694	0.5
128.06252	0.3
129.07027	0.3
131.08562	1.3
133.02859	0.3
133.06483	0.8
133.10164	1.7
135.08096	0.2
135.11705	1.2
136.01549	0.7
137.02333	2.0
142.07874	0.3
143.08615	0.4
145.06418	0.2
145.10138	0.2
147.04430	0.3
149.13263	2.6
152.06203	0.4
153.06984	0.5
154.02643	1.9
155.08592	0.4
156.05708	1.0
157.10168	0.6
158.07275	0.7
159.11697	2.4
161.13237	0.3
163.03947	0.5
169.06425	0.5
169.10086	0.3
170.07277	1.3
171.11726	0.5
177.12814	1.0
180.05640	0.3
181.06476	2.0
181.09904	0.3
182.07281	0.9
184.05188	0.3
195.08032	0.3
195.13809	1.2
197.06001	5.2
198.06786	2.3
200.04671	0.5
208.05185	0.3
209.05989	0.6
210.06743	0.3
211.14862	0.3
213.09129	8.6
213.16444	0.4
225.05453	2.4
226.06259	7.6
233.58501	0.2
237.05496	9.4
241.05072	0.2
241.08617	0.8
253.04985	8.7
254.05765	8.7
269.08105	100.0
269.17267	3.0
269.22415	1.2
270.08395	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1957
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
53.03930	7.1
55.05518	15.9
57.03425	9.8
57.07074	4.8
59.04990	2.5
67.05178	2.3
67.05510	30.3
69.03413	3.0
69.07079	19.2
71.04644	3.0
71.04997	36.6
71.55896	2.6
72.08144	8.8
73.06581	4.1
76.22236	2.3
79.05499	30.6
79.75148	2.1
81.03415	23.0
81.07063	100.0
83.04990	3.8
83.08604	9.9
85.02896	3.5
85.06074	4.0
85.06548	58.9
91.05479	16.5
93.07051	43.8
95.04955	9.7
95.08597	31.8
97.02918	2.9
97.06522	9.1
99.04446	6.3
99.08092	5.2
99.40747	2.5
105.03394	11.2
105.07034	34.8
107.04959	5.4
107.08598	33.1
109.06522	33.6
109.10173	28.2
111.04472	2.8
111.08080	6.7
115.05453	2.9
117.07014	7.6
119.08586	35.6
121.06486	7.7
121.09313	3.2
121.10147	41.1
123.08090	13.5
123.11717	17.5
125.05975	3.0
125.09624	3.0
127.07568	28.2
127.11220	12.6
128.06216	3.5
129.07021	6.4
130.07744	3.4
131.08577	6.7
133.10136	35.0
135.08098	3.5
135.11693	38.0
137.09627	14.9
137.87662	2.0
141.12761	12.1
142.07709	2.4
143.08568	8.1
145.09047	3.8
145.10133	49.1
147.08066	5.0
147.11734	17.9
149.09648	5.1
149.13240	2.7
151.07579	2.3
151.11188	12.0
152.14293	2.8
153.09067	2.7
153.11516	3.0
153.12750	41.1
155.08548	2.9
157.10118	10.1
159.11708	18.8
161.09682	4.2
161.13258	26.5
163.11183	23.6
167.10759	3.7
169.10089	3.6
171.11662	11.2
173.05923	2.5
173.13232	4.9
175.11185	7.1
175.14732	2.4
178.07874	3.5
179.14287	11.8
181.06534	2.5
181.12271	17.1
183.11684	5.6
185.13358	3.7
189.12738	3.5
189.16376	4.2
191.07039	2.6
193.12198	4.8
196.16895	3.3
197.13246	3.2
203.17928	9.7
211.14825	5.0
213.16377	24.6
221.18991	8.6
223.04283	3.5
225.12791	2.1
228.26454	2.3
231.17464	48.4
249.18527	73.4
267.06714	4.7
267.10181	7.6
267.13654	6.1
267.16037	11.9
267.19592	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1956
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
53.03939	2.7
55.01876	3.9
55.05516	18.8
57.03423	8.2
57.07038	2.6
67.05178	2.7
67.05511	44.4
69.03433	100.0
69.07076	21.4
69.73112	12.0
71.04999	5.7
72.08159	4.9
79.05495	39.5
81.03425	23.6
81.07062	47.6
83.04977	8.9
83.08630	11.6
91.05492	50.5
93.07045	44.3
95.04969	11.4
95.08611	39.8
96.08965	2.1
97.06536	17.2
97.07111	3.4
97.10143	6.5
98.21431	2.7
98.98474	7.1
99.08100	3.1
103.84359	2.2
105.07041	27.2
107.04977	2.3
107.08595	26.9
109.06510	10.8
109.10168	14.1
111.04459	1.9
111.08083	5.6
115.05462	2.2
117.07014	22.8
119.08598	17.7
121.06495	2.4
121.10142	32.7
123.08080	7.7
123.11710	5.2
125.05943	2.3
128.06184	2.5
129.07019	10.2
131.08582	23.6
133.10144	39.9
135.11708	3.9
137.09615	8.1
139.11221	3.2
142.07770	2.4
143.08588	7.2
145.10104	4.4
147.11696	12.3
149.09682	4.3
149.13286	2.8
149.77435	2.0
151.11189	6.0
152.14310	2.5
153.08931	2.4
157.10074	6.7
159.11597	2.9
160.49448	2.2
165.12740	2.5
169.10156	2.7
171.11653	4.1
173.13356	2.8
175.11224	3.1
175.14906	2.8
176.48570	2.3
183.11736	3.4
189.12666	2.8
189.16399	8.3
193.12288	6.0
199.14783	13.1
207.17455	7.2
217.15822	12.9
235.16946	49.7
253.18037	5.1
267.15906	9.3
267.19260	2.5
267.21381	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	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
54.90732	0.2
55.01875	0.3
55.96704	0.2
57.03431	0.5
69.03382	0.3
70.06588	0.3
70.43425	0.2
70.60712	0.4
71.01357	0.2
73.02925	0.3
75.86017	0.2
94.04056	0.4
98.59573	0.2
106.37758	0.2
107.04940	0.3
110.07189	0.3
119.03552	0.6
124.03941	0.4
136.06194	100.0
137.04622	0.3
137.06519	0.4
198.32614	0.2
258.39987	0.2
268.07617	0.3
268.10434	4.7
268.13437	0.2
269.10855	0.2
271.24582	0.2
278.81671	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	268.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
69.03415	2.5
69.07063	1.3
70.06590	5.9
71.54482	1.3
72.08151	4.4
74.02445	18.2
77.80037	1.1
78.03423	1.1
79.05502	1.9
80.05006	1.9
81.07063	2.1
81.52534	1.0
84.04507	1.9
84.08154	13.7
86.09708	2.3
88.03997	39.5
89.03893	2.0
91.05490	3.1
95.04992	1.9
96.04492	3.5
97.02905	1.5
98.49289	1.1
99.27204	1.0
106.02901	1.9
107.04961	100.0
109.02882	1.3
109.06535	1.5
110.07152	1.8
112.07616	1.4
116.03458	12.9
117.03426	2.9
120.08113	1.9
121.06539	1.5
123.04463	2.5
124.03966	51.4
130.05005	1.6
133.07706	1.5
134.04497	49.0
135.04408	6.1
136.06194	21.4
137.05942	1.8
138.05624	1.2
140.07060	1.5
143.08577	2.4
145.02858	2.9
147.04367	2.4
149.07179	1.5
149.08359	1.5
151.03314	2.0
152.07100	1.4
160.05322	1.5
161.05940	2.0
162.05450	1.3
163.03905	26.4
164.07054	3.5
171.08032	1.4
177.06516	2.3
177.07866	21.0
177.09302	1.7
181.04350	2.4
188.10701	1.7
189.09085	1.3
206.11780	83.4
222.11227	4.1
250.07185	4.0
250.14438	18.4
268.08325	16.2
268.12994	1.9
268.15524	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	267.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
53.28145	1.5
55.01869	3.1
55.05515	7.9
57.03433	6.3
57.07076	3.2
63.81549	1.6
67.05507	19.3
68.30480	1.5
69.03435	100.0
69.07072	6.8
69.61842	9.6
71.04995	3.0
72.08161	4.0
79.05495	11.4
81.03428	21.8
81.07070	27.3
83.04988	3.4
83.08608	7.5
85.06559	2.6
91.05487	19.4
93.07060	17.6
95.04977	8.1
95.08611	19.6
97.06527	12.1
97.10206	2.2
98.20811	1.9
98.98489	4.9
99.08104	2.3
105.07037	16.1
107.08598	12.1
109.06517	8.2
109.10150	10.5
111.04430	3.9
111.08096	3.3
113.06028	1.6
119.08588	9.1
121.06499	2.5
121.10137	10.7
123.08083	7.4
123.11709	4.8
125.06021	2.0
125.09634	2.2
129.07004	3.9
131.08594	7.2
133.06502	2.2
133.10149	22.4
135.11734	1.9
137.09663	5.6
143.08578	2.1
145.10175	3.7
147.11664	9.6
149.09648	4.8
149.13211	3.3
151.11151	7.5
157.10153	6.7
158.59164	1.3
159.11693	2.4
161.13260	2.0
163.14952	1.5
164.77646	1.3
165.12854	2.9
175.11182	4.6
183.11720	2.3
189.16402	4.7
193.10204	1.5
193.12276	3.7
197.13292	2.2
199.14815	5.7
207.17494	5.2
217.15842	7.6
235.16946	31.6
267.16052	7.8
267.21237	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	267.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.5
53.28145	1.5
55.01869	3.1
55.05515	7.9
57.03433	6.3
57.07076	3.2
63.81549	1.6
67.05507	19.3
68.30480	1.5
69.03435	100.0
69.07072	6.8
69.61842	9.6
71.04995	3.0
72.08161	4.0
79.05495	11.4
81.03428	21.8
81.07070	27.3
83.04988	3.4
83.08608	7.5
85.06559	2.6
91.05487	19.4
93.07060	17.6
95.04977	8.1
95.08611	19.6
97.06527	12.1
97.10206	2.2
98.20811	1.9
98.98489	4.9
99.08104	2.3
105.07037	16.1
107.08598	12.1
109.06517	8.2
109.10150	10.5
111.04430	3.9
111.08096	3.3
113.06028	1.6
119.08588	9.1
121.06499	2.5
121.10137	10.7
123.08083	7.4
123.11709	4.8
125.06021	2.0
125.09634	2.2
129.07004	3.9
131.08594	7.2
133.06502	2.2
133.10149	22.4
135.11734	1.9
137.09663	5.6
143.08578	2.1
145.10175	3.7
147.11664	9.6
149.09648	4.8
149.13211	3.3
151.11151	7.5
157.10153	6.7
158.59164	1.3
159.11693	2.4
161.13260	2.0
163.14952	1.5
164.77646	1.3
165.12854	2.9
175.11182	4.6
183.11720	2.3
189.16402	4.7
193.10204	1.5
193.12276	3.7
197.13292	2.2
199.14815	5.7
207.17494	5.2
217.15842	7.6
235.16946	31.6
267.16052	7.8
267.21237	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	267.1594
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03951	3.6
55.01873	3.1
55.05515	7.8
57.03440	16.8
57.07091	0.5
58.65987	0.4
59.14074	0.5
65.03940	0.9
67.05508	15.4
69.03424	2.9
69.07074	4.0
71.04993	2.9
71.55791	0.6
72.08162	1.7
73.02911	0.6
79.05496	14.6
81.03422	100.0
81.07061	14.8
83.04984	6.1
83.08620	13.2
85.02894	1.4
85.06550	0.8
87.62009	0.5
91.05490	17.6
93.07052	10.9
95.04974	23.9
95.08614	6.2
97.02911	3.3
97.06545	2.4
97.10168	2.0
99.04497	0.5
99.08086	1.1
103.02702	0.5
103.05498	0.5
105.03403	3.3
105.07038	14.2
107.04964	5.2
107.08590	4.1
109.02911	0.9
109.06526	4.0
109.10149	2.3
111.04453	2.2
111.08083	7.0
113.06040	0.8
115.05424	1.4
117.07030	2.0
118.58620	0.5
119.04943	1.0
119.08581	11.9
120.08142	0.7
121.06508	2.9
121.09435	0.5
121.10179	4.9
123.04350	0.7
123.08086	2.2
123.11755	1.1
125.06062	0.6
128.06230	0.8
129.05530	0.6
129.07021	8.2
131.08575	7.2
132.70157	0.5
133.06488	3.0
133.10135	5.0
135.04457	0.6
135.08069	1.4
135.11725	1.0
137.09619	1.9
141.06937	0.5
142.07780	2.8
143.08488	0.7
145.10080	1.9
147.08054	3.2
147.11699	8.3
148.06010	0.5
149.09633	5.7
151.11243	0.7
152.14381	0.8
155.08524	0.8
157.10141	10.2
159.11700	1.0
161.09680	0.6
163.11211	1.4
165.07057	0.8
165.12772	2.5
167.07039	0.5
175.11198	9.8
183.11705	0.9
185.13290	0.9
193.12257	19.9
196.16983	0.7
207.08115	0.7
211.13257	2.3
224.16316	0.5
249.14764	2.7
249.18552	0.9
258.79636	0.4
267.06433	1.2
267.10184	1.6
267.15933	48.5
267.20859	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	267.1591
Annotation	Curvularol
Peak:m/z	Relative Intensity
50.31014	1.9
53.03947	6.7
55.01876	6.2
55.05513	31.0
57.03193	2.2
57.03443	33.3
57.07075	3.9
58.43140	2.0
59.04994	2.0
59.26842	2.6
61.34397	2.0
65.03948	4.0
67.05507	81.2
69.03428	5.8
69.07067	27.5
70.06596	3.8
70.84569	2.6
70.84915	4.9
71.04989	9.5
72.08150	10.1
78.46578	2.1
79.05495	73.7
81.03418	46.7
81.07059	88.9
83.04985	44.7
83.08640	12.8
83.21868	2.1
85.02913	2.3
85.06532	9.7
87.04466	2.3
91.05482	100.0
93.07049	51.0
95.04982	24.3
95.07992	2.0
95.08610	41.3
97.02891	7.3
97.06527	7.2
97.10139	2.4
99.08112	4.7
103.05487	3.2
105.03418	7.6
105.07030	57.2
107.04967	20.1
107.08599	19.3
109.06522	14.2
109.10165	8.2
111.04437	4.4
111.08048	5.4
115.05500	3.4
117.07044	6.1
119.07788	3.9
119.08582	43.3
121.06487	2.2
121.10148	16.8
123.08073	5.4
123.11709	7.7
127.07565	6.0
128.06227	2.4
129.07018	22.1
131.08549	23.1
133.06509	4.0
133.10138	48.3
135.08078	2.5
135.11673	3.2
137.09682	3.5
141.07022	3.4
142.07745	6.4
143.08542	3.5
145.06432	3.0
145.10173	11.5
147.08003	5.9
147.11684	41.6
149.09627	5.9
151.07558	3.2
151.11143	2.3
153.12787	3.8
155.08521	2.1
155.19102	2.1
156.09314	2.3
157.10146	29.6
159.11678	3.1
161.09677	2.5
161.13318	2.8
163.11171	7.1
165.07007	2.9
165.12759	8.6
168.13850	4.1
169.10081	4.0
171.11731	3.1
173.13254	2.6
175.11198	23.9
182.11838	2.7
183.11696	4.6
193.12254	14.8
195.11659	2.5
196.13422	6.8
196.17110	2.4
197.13217	3.2
203.40646	2.0
207.08160	2.2
207.11670	3.3
211.11166	2.5
211.14873	5.5
223.04172	2.6
231.17545	3.0
249.18462	6.0
267.10172	5.9
267.13046	3.0
267.13824	2.8
267.15887	63.2
267.21112	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Curvularol
Peak:m/z	Relative Intensity
53.03941	4.0
55.01881	3.1
55.05271	1.6
55.05514	19.0
57.03443	13.0
59.05010	1.4
65.03931	3.1
67.00060	1.4
67.05508	48.5
69.03421	3.5
69.07067	16.1
70.73301	3.9
71.04983	4.7
72.08131	2.9
74.59280	1.4
79.05500	36.4
81.03419	19.6
81.07062	100.0
83.04990	15.8
83.08624	11.2
83.76901	1.5
85.02899	2.1
85.06537	6.1
91.05489	48.6
93.07046	21.1
95.04977	13.3
95.08611	30.6
97.02867	1.8
97.06528	8.9
99.08068	4.7
101.06017	1.9
105.07033	43.8
107.04974	8.1
107.08603	14.6
109.06520	4.9
109.10137	3.9
111.08097	2.8
113.06024	1.9
119.08587	36.5
121.10147	16.8
123.08068	5.1
123.11718	24.6
127.07537	3.2
129.06982	6.3
131.08565	6.4
133.06473	2.0
133.10138	12.4
137.13268	2.5
141.09177	1.4
142.07799	1.9
143.08554	2.2
144.05713	1.6
145.06436	2.0
145.10107	4.1
147.11696	57.5
149.09615	2.3
157.10143	8.6
159.15521	1.4
163.11197	2.9
165.12749	24.5
169.10167	1.7
175.11191	5.8
177.12692	1.6
183.11696	1.6
185.13303	1.6
189.05336	1.5
190.00850	1.3
193.12254	6.3
197.13295	1.5
211.14844	2.0
223.04211	3.8
267.06512	1.8
267.15930	95.9
267.20953	5.0
268.33722	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01874	0.2
57.03437	1.0
58.06390	0.2
58.06638	0.6
59.05000	0.4
59.07406	0.2
60.08167	6.8
61.02925	1.2
69.03078	0.3
69.03432	3.7
69.47195	1.4
69.47552	0.2
70.86927	0.2
71.01368	0.3
71.04985	0.6
73.02515	0.2
73.02918	3.4
73.10077	0.2
81.00313	0.2
81.03427	1.6
83.01362	0.2
85.02909	5.0
87.04470	7.8
91.03954	0.2
97.02908	1.8
98.21488	0.3
99.04463	3.4
101.02393	0.2
103.03953	0.6
104.10749	43.5
109.02888	1.1
127.03933	1.5
129.05479	0.7
145.04958	0.3
145.46198	0.2
153.05406	0.2
161.22823	0.2
167.29770	0.2
171.06599	0.3
202.97516	0.2
257.71701	0.2
266.15994	100.0
267.16312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
57.03456	0.4
61.02935	1.0
71.04002	0.7
71.05000	1.8
76.71028	0.4
77.62894	0.3
79.05498	0.6
79.47820	0.3
81.07063	3.6
91.05470	0.3
94.04049	1.3
95.88877	0.3
111.47184	0.3
119.03565	2.5
119.04958	0.3
136.06197	100.0
137.04588	1.4
147.04437	0.7
234.13512	20.1
250.14777	0.3
266.16138	48.7
267.16354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Rugosal A
Peak:m/z	Relative Intensity
52.42657	0.4
53.03945	1.7
55.01876	2.4
55.05512	12.3
57.03439	6.8
57.07079	1.0
59.04987	0.7
61.00746	0.4
65.03941	1.3
66.81122	0.5
67.05506	38.3
69.03429	1.3
69.07072	16.1
69.07455	0.8
70.90901	1.0
71.05004	3.3
72.08151	0.9
79.05494	21.8
79.67542	0.4
81.03416	4.3
81.07059	100.0
83.04988	7.6
83.08620	7.2
85.02909	0.9
85.06546	5.3
91.05482	30.0
93.07053	13.7
95.04970	3.7
95.08610	27.0
97.06530	7.6
97.10163	0.9
97.15531	0.4
99.04388	0.4
99.08083	4.0
101.06015	1.0
103.05499	0.5
105.03434	0.8
105.07032	35.2
107.04939	0.8
107.08598	10.9
109.06523	5.3
109.10155	1.4
111.04453	0.7
111.08088	1.8
113.06031	1.2
115.07594	0.6
117.07045	1.4
119.08583	27.9
121.10148	16.9
123.08067	4.5
123.11707	24.6
127.07544	2.6
129.06999	1.2
131.08566	2.4
132.23717	0.4
133.06512	0.7
133.10141	3.9
137.09668	0.6
137.13235	2.6
141.09073	1.1
145.10110	1.6
147.11688	60.3
149.09592	1.0
149.13261	0.6
153.06960	0.4
157.10129	3.1
165.07143	0.5
165.12758	23.9
175.11211	2.2
178.07632	0.7
179.13560	0.5
183.11632	0.4
183.13762	2.4
193.12257	2.0
229.14319	0.8
267.15918	97.2
268.16190	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11256	0.7
53.79770	0.6
60.04247	1.0
60.04530	10.6
65.03951	1.0
69.30656	5.4
70.02950	4.3
73.41035	0.6
73.84963	0.6
74.74908	0.6
88.03994	57.5
91.05485	78.7
95.41364	0.7
102.05546	100.0
113.02376	0.9
118.17207	0.7
130.05019	2.5
146.05981	2.1
148.06055	56.0
164.15010	0.7
206.08145	2.6
220.09686	8.0
248.09235	2.0
266.10178	1.5
266.15851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.125
Annotation	(-)-Aristeromycin
Peak:m/z	Relative Intensity
53.03957	0.6
55.05517	0.7
57.03449	1.5
57.07090	0.5
57.46655	0.5
60.08171	1.0
67.05521	1.9
67.09947	0.4
67.18102	0.4
69.03442	1.1
69.07079	1.4
70.06603	1.7
71.05000	1.9
71.54515	0.8
72.08147	2.3
73.02919	1.0
79.05508	0.9
80.05029	0.6
81.03419	2.7
81.07066	1.1
84.04522	0.9
84.08167	1.1
85.02938	1.5
85.06535	1.3
86.09716	2.2
87.04499	0.7
91.05486	1.2
93.04549	0.6
93.07030	0.5
94.04076	1.1
94.06582	1.1
95.04981	1.3
95.08627	0.7
95.41495	0.5
97.02906	1.8
99.04491	0.5
104.10748	4.6
105.03405	1.0
105.07015	0.8
105.95352	0.4
107.04963	0.6
108.08112	0.6
109.02889	1.0
109.03986	0.5
110.07189	0.7
111.05575	0.6
113.23223	0.5
119.03549	3.3
119.04936	1.1
120.05602	1.2
120.08125	1.0
122.06047	1.2
122.07180	0.6
123.04397	0.9
123.06819	1.4
125.30254	0.4
127.03944	0.9
133.05075	0.9
134.06056	0.6
134.09619	0.6
135.06645	1.1
136.06195	81.9
137.04599	3.0
138.05516	4.8
145.05115	3.3
145.10059	0.5
147.04431	1.6
148.07516	0.7
149.05011	0.9
149.06969	0.6
150.05589	3.8
150.07765	25.5
151.06224	2.2
152.07039	1.3
162.07759	100.0
163.06125	0.8
164.36394	0.4
168.06564	12.4
178.08603	1.6
182.84187	0.4
187.11832	0.6
190.07216	0.6
202.12256	0.5
206.08142	2.4
220.09906	0.5
220.13414	0.9
230.11633	0.5
230.13641	1.5
231.10295	0.5
236.07880	0.7
248.09390	1.0
248.11426	27.7
248.15082	6.6
248.17508	0.9
264.10904	1.7
266.12503	25.4
266.16043	25.7
267.16248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
50.27053	1.1
53.03943	2.5
55.01869	2.4
55.05516	59.6
57.03426	1.9
57.07079	26.2
60.33648	1.2
65.03915	1.6
65.23745	1.1
67.05510	60.6
69.03378	1.6
69.07073	78.0
71.04987	5.1
71.08637	13.9
79.05502	38.0
81.03435	2.1
81.07065	71.1
83.04994	2.6
83.08627	67.3
85.06523	5.0
85.10175	8.7
87.46485	1.3
91.05491	8.0
93.06480	2.5
93.07050	41.5
95.04965	4.7
95.08613	69.1
97.06541	19.2
97.10178	40.9
98.20694	4.2
99.08093	3.8
105.07030	4.8
107.04959	6.7
107.08601	28.2
109.09467	2.5
109.10165	37.0
111.08097	12.8
111.11719	16.6
111.13007	1.0
113.09640	1.8
119.08591	3.1
121.06490	1.8
121.10153	55.9
122.07178	7.9
123.11720	11.9
125.09650	5.2
125.13284	2.6
131.08546	2.1
135.11707	41.4
137.13237	3.9
139.11182	3.4
140.42618	1.2
144.04779	2.4
145.10104	1.7
149.13272	18.0
151.14870	7.6
153.12730	1.3
159.08148	1.4
163.14868	7.2
165.16373	5.2
169.15913	1.6
177.16440	4.8
182.15083	1.3
191.18001	2.3
203.12724	1.8
205.19598	2.0
233.15446	3.3
247.24232	42.0
265.25290	100.0
283.30780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2164
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03957	1.8
55.05514	9.0
57.07073	2.8
65.03935	2.7
65.90289	0.6
67.05507	100.0
69.07069	8.7
70.32633	1.1
71.05006	1.7
72.23129	0.7
74.96389	0.6
79.05496	11.9
81.03431	1.9
81.04553	1.4
81.07062	92.7
83.08614	3.4
85.06532	2.6
89.66103	0.7
91.05467	5.1
93.07056	12.0
95.04968	1.8
95.08612	82.4
97.06547	2.1
97.10172	2.1
105.07036	4.3
107.04938	1.1
107.08593	9.2
107.33754	0.6
107.43668	0.6
109.06566	1.7
109.10162	65.0
111.08125	0.9
112.89838	0.7
117.07027	2.4
119.08608	2.8
121.06536	1.0
121.10165	5.7
122.07167	7.2
123.08067	1.5
123.11717	27.4
125.09627	1.0
125.16056	0.7
127.07566	1.0
131.08569	3.5
133.10110	3.3
135.08118	1.2
135.11688	4.7
137.09669	1.4
137.13242	6.1
139.07590	0.7
144.04790	2.7
145.10175	3.6
147.11707	3.1
149.09650	1.5
149.13239	3.7
151.11201	1.6
151.14882	1.0
159.11726	2.1
163.11218	1.8
163.14804	1.3
173.13292	3.0
177.12790	1.8
181.12256	1.7
183.11649	0.9
187.14824	1.9
191.14349	1.0
195.13849	3.0
205.15811	1.0
205.19516	0.7
209.13391	1.0
209.15430	2.0
219.21286	0.8
223.14928	0.8
223.16953	1.2
229.19530	2.9
247.20564	4.8
265.21664	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2164
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
53.03949	1.1
54.10424	0.7
54.50480	0.6
55.05519	7.9
57.07073	1.5
65.03951	2.5
67.05511	100.0
67.15265	0.7
69.07071	7.3
69.34433	0.7
70.65326	1.6
71.04993	0.8
71.08582	0.7
79.05493	11.7
81.03439	1.4
81.04561	0.6
81.07064	89.1
83.04990	1.6
83.08620	4.0
85.06554	1.4
91.05488	4.5
93.07053	11.2
95.04968	1.9
95.08614	82.0
97.06562	1.5
97.10201	1.9
105.07045	2.6
107.08605	8.2
109.06546	1.2
109.10165	61.4
111.08115	1.1
117.07079	1.3
119.08612	2.1
121.10144	6.9
122.07178	4.6
123.08094	1.6
123.11718	28.7
127.07622	0.9
131.08621	3.4
133.10135	2.4
135.08087	1.3
135.11719	3.7
137.09654	0.9
137.13278	5.5
144.04808	1.3
145.10146	2.3
147.11697	2.1
149.09639	1.4
149.13284	2.8
151.14830	0.9
155.10619	0.7
159.11746	1.8
163.11185	2.0
163.14865	1.3
173.13275	3.0
177.12701	1.8
181.12234	1.2
187.14862	0.9
191.14314	1.7
195.13788	1.9
205.19554	1.1
209.15442	3.0
223.16818	1.3
229.19531	2.0
247.20612	4.0
257.84372	0.7
265.21658	51.9
268.58411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Methyl atlantonate
Peak:m/z	Relative Intensity
53.03941	8.8
54.12763	4.6
55.05518	22.0
57.07071	14.0
63.30384	3.9
65.03957	4.4
66.92755	4.5
67.05178	5.4
67.05508	85.2
69.07074	24.5
70.47902	13.3
71.04991	5.1
79.05058	6.8
79.05498	81.3
81.03424	15.7
81.04531	7.3
81.07069	100.0
83.04970	8.3
83.08618	6.2
85.06532	9.2
90.89906	3.5
91.05488	93.5
93.07049	62.6
94.48810	3.9
95.04970	19.4
95.08617	49.2
97.06537	9.0
97.10211	8.1
103.05443	5.0
105.07036	89.4
107.04984	21.6
107.08600	36.5
109.06532	15.0
109.10155	25.9
109.87558	3.9
115.05422	6.1
117.07013	31.8
119.08595	61.9
119.59297	4.4
121.06497	18.4
121.10149	16.9
122.07154	42.4
123.08045	11.6
123.11721	9.6
129.07034	16.6
131.08569	71.6
133.06494	9.7
133.10139	16.8
134.48909	3.6
135.08051	12.0
137.09590	5.4
141.07033	9.7
143.08553	9.1
144.04785	11.1
145.06396	3.9
145.10100	23.3
147.11690	8.7
149.09610	8.3
155.08614	8.5
157.10123	5.6
159.11670	12.0
159.28287	4.3
169.10097	8.6
171.11711	12.8
173.09618	5.6
173.13269	12.8
177.12720	4.0
187.11227	5.2
187.14825	22.0
197.13260	11.3
205.15810	19.9
209.11626	5.3
209.13457	5.5
215.14287	15.1
229.12373	4.0
233.15401	75.2
247.17088	6.7
265.17624	29.1
265.21771	6.8
265.24509	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.05508	13.7
65.03937	11.3
67.05500	32.0
69.03429	40.0
69.07061	5.9
70.06585	6.1
70.44624	5.7
71.04996	10.0
72.08134	5.1
79.05482	22.0
81.03424	5.4
81.04543	9.8
81.07059	23.0
83.04981	13.3
85.06528	5.7
86.09700	5.6
91.05483	51.3
93.03397	7.5
93.07052	43.7
94.40292	3.9
95.04968	48.5
95.08607	23.7
97.02881	5.1
97.06535	9.2
99.04446	5.4
100.31784	3.3
103.05460	6.2
105.07040	72.3
107.04927	4.8
107.08601	21.0
109.06506	31.0
109.10152	9.4
111.04456	33.4
111.08101	7.9
113.06012	18.2
115.05450	7.2
116.06188	7.7
117.07056	18.9
119.04906	4.3
119.08585	99.6
121.02879	10.5
121.06506	54.6
121.09315	3.7
121.10143	15.4
122.07166	45.3
123.08063	21.2
128.06154	5.9
129.07007	15.9
130.07774	7.8
131.08574	54.4
133.06479	12.0
133.10126	18.1
135.08055	100.0
137.09631	13.2
139.03888	12.0
139.07536	8.0
141.06984	12.3
142.07811	12.8
143.08621	17.8
144.04761	8.8
144.05756	5.9
144.09370	12.3
145.06505	18.6
145.10153	35.6
146.07312	6.1
147.08067	43.8
147.11726	17.7
149.05998	4.2
149.09624	14.8
151.07501	4.0
153.07022	4.2
153.09126	5.9
154.07773	5.3
155.08578	8.2
155.10645	3.9
156.09366	7.2
157.06526	6.7
157.10115	21.0
158.07333	19.4
159.08087	35.3
159.11691	41.7
160.08835	6.6
161.05986	5.9
161.09636	38.0
161.13272	5.5
163.07480	6.0
165.09129	38.6
168.09407	9.0
169.10129	5.1
171.08084	12.1
171.11751	13.7
172.08899	23.1
173.09602	15.1
173.13298	18.0
175.07573	71.9
175.11171	34.7
180.75020	4.5
183.11748	16.7
185.09683	5.3
185.13255	5.3
187.07597	4.3
187.11206	41.5
189.09120	15.6
189.12759	15.2
193.08681	28.5
193.10162	5.6
193.80519	4.0
196.08856	8.9
199.11227	17.2
201.12718	37.5
203.10672	50.9
205.04906	4.8
205.12187	7.1
207.10085	4.4
211.11208	22.4
217.12202	24.2
219.13797	11.0
229.12155	31.5
235.13313	8.4
247.13272	47.5
265.11700	9.5
265.14322	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1119
Annotation	Thiamine
Peak:m/z	Relative Intensity
54.03473	0.8
56.96558	1.0
69.03399	0.4
70.06592	1.0
71.39492	0.6
72.08157	1.5
80.05012	1.1
81.03436	0.4
81.04547	13.8
84.08139	0.4
85.02911	0.7
86.09718	0.6
97.02915	0.6
98.97592	1.7
101.00894	0.5
103.00713	0.3
104.05324	0.4
113.02968	1.1
116.98629	1.3
119.01894	0.5
121.01681	0.4
122.07161	100.0
125.81624	0.3
126.03759	1.3
127.03934	0.4
130.01352	0.3
137.06003	0.4
141.59158	0.3
142.05763	0.4
144.04793	29.4
146.99658	0.4
148.46750	0.3
158.99651	0.4
163.02715	0.6
177.00746	0.5
177.06599	0.4
191.19688	0.4
205.00233	0.6
248.47260	0.3
261.03030	0.4
264.58026	0.4
265.05902	1.1
265.11545	1.5
266.16019	0.7
288.17673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03949	7.9
55.01868	6.8
55.05498	14.9
65.03925	10.3
65.83205	3.0
67.05505	29.7
69.03133	3.4
69.03431	37.6
69.07053	7.2
69.44740	29.4
71.04990	8.9
75.90266	2.9
79.05494	27.5
81.07065	19.4
83.04972	11.5
83.08569	3.4
91.05482	60.3
93.03419	8.2
93.07047	50.2
95.04972	55.2
95.08612	24.1
97.06516	10.5
99.04421	6.5
100.07600	13.4
103.05470	8.4
105.06387	6.1
105.07037	75.0
107.04938	6.7
107.08612	26.7
109.02847	4.3
109.06522	42.9
109.10139	9.8
111.04455	36.8
111.08052	9.6
113.05981	24.3
115.05457	9.6
116.06237	7.0
117.07014	23.8
119.08586	100.0
120.08091	9.7
121.02892	17.7
121.06525	50.5
121.10140	13.5
122.07220	5.2
123.08080	28.4
128.06213	15.3
129.07011	26.0
130.07828	5.8
131.08580	52.7
133.06476	15.7
133.10149	23.5
135.07123	6.0
135.08075	96.9
137.09637	17.4
139.03894	9.3
139.07571	7.9
141.06963	10.0
142.07750	16.6
143.08540	21.1
144.09354	13.5
145.06514	18.2
145.10136	42.1
146.07158	3.6
147.08051	48.0
147.11722	18.2
149.05962	4.4
149.09608	15.2
154.07745	5.5
155.08543	7.0
156.09375	7.5
157.06488	8.4
157.10179	19.3
158.07307	23.2
158.10922	5.6
159.08080	46.6
159.11700	44.1
160.08804	5.7
161.09622	42.3
161.13315	6.2
165.06915	4.6
165.09123	35.8
167.08537	4.0
168.09366	9.2
169.10147	3.8
171.08026	5.1
171.11650	11.6
172.08870	25.0
173.09647	24.4
173.13293	20.2
174.06807	5.4
175.07558	92.8
175.11185	43.9
178.07835	3.5
181.06453	4.7
183.11659	13.6
185.09634	12.1
186.10432	7.4
187.11192	48.5
188.10719	10.1
189.09152	17.2
189.12733	21.2
193.08638	20.9
193.10159	6.0
196.08775	10.1
199.11269	17.5
201.12790	37.6
203.10690	52.5
205.12268	6.4
211.11137	24.0
217.12274	30.2
219.13811	13.8
223.81454	4.2
229.12254	33.1
234.11160	4.2
235.13319	9.0
247.13248	51.6
265.14288	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03963	1.4
55.01870	1.2
55.05513	16.9
57.03436	2.2
57.07078	10.8
57.29321	0.6
65.03938	1.7
67.05508	96.5
69.06717	1.3
69.07072	17.2
71.05000	1.9
71.08640	6.1
79.05498	21.5
81.07059	100.0
83.04981	2.2
83.08620	13.2
84.47600	0.6
85.06549	4.0
85.10189	3.1
91.05482	18.3
93.06469	1.4
93.07047	24.2
95.04973	1.8
95.08611	91.4
96.57915	0.6
97.06535	6.5
97.10182	6.9
99.08102	6.3
105.07038	11.4
107.08601	13.7
107.09293	1.1
109.06557	1.7
109.10162	45.9
111.08096	4.6
111.11735	1.7
113.09662	3.5
113.14774	0.7
119.08581	12.8
121.10157	16.2
123.08087	2.9
123.11713	21.9
125.09655	1.8
127.11208	2.2
131.08652	1.0
133.10136	13.0
135.11690	9.7
137.09633	2.7
137.13254	8.6
141.12799	1.6
145.10165	0.7
147.11691	10.9
149.13264	10.0
151.11189	1.7
151.14810	7.6
152.52168	0.7
155.14331	1.6
161.13268	12.3
163.14851	8.8
165.12738	0.9
165.16408	10.9
165.35086	0.6
166.70392	0.7
167.14354	0.9
175.14838	9.2
177.16425	2.2
179.14334	0.9
179.17989	4.3
181.15929	1.7
181.61676	0.6
189.16411	3.8
193.15872	0.8
199.74261	0.7
203.17909	1.8
207.11694	1.0
207.17590	0.8
207.21198	0.6
217.19501	1.6
219.20903	0.7
233.13144	0.9
245.22658	36.1
246.22922	1.1
248.15639	1.0
263.18289	3.7
263.23715	80.4
264.24216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	0.2
56.38116	0.2
61.93238	0.2
65.03946	0.4
67.05531	0.2
69.03430	0.4
69.54440	1.4
81.03386	0.2
84.04523	0.2
85.79652	0.2
87.04471	2.2
91.05485	9.4
97.02916	0.3
97.06521	0.2
100.07618	3.7
107.08612	0.2
118.08661	13.8
119.04947	26.3
120.08132	0.5
136.11215	0.7
147.04411	100.0
148.04762	0.6
223.33766	0.2
246.11180	0.2
246.18639	0.3
264.07935	0.2
264.12296	2.3
264.19540	1.9
273.51334	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	264.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68141	0.3
53.03939	0.4
55.05503	0.7
57.03417	0.3
60.99148	0.4
65.03935	0.8
69.03429	0.5
69.57458	2.4
70.06606	1.5
72.08141	1.2
72.71579	0.3
76.79312	0.4
82.06562	0.4
83.08594	0.5
83.72610	0.3
84.08128	0.4
86.09695	0.6
87.04474	3.2
91.05480	11.8
94.02907	0.3
95.04981	0.7
98.21429	0.6
100.07623	4.2
106.97781	0.3
110.06101	0.3
111.08143	0.3
116.07097	1.1
117.51750	0.3
118.01254	0.9
118.08667	16.2
119.04952	30.3
120.08128	0.8
121.08424	0.9
122.07239	0.4
123.04438	9.4
124.07586	3.2
142.08636	1.3
147.04417	100.0
148.04739	0.9
164.01682	0.3
166.35008	0.3
189.08990	0.3
196.60222	0.7
212.39172	0.3
218.08260	0.5
233.11777	0.6
246.11319	1.5
264.08887	1.0
264.12225	7.1
266.28027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.00340	0.6
53.03946	1.8
55.05515	15.6
57.03449	2.0
57.07081	11.1
58.98385	0.8
65.03954	2.2
67.05511	83.1
68.83097	0.6
69.07073	17.5
69.46586	1.4
69.47005	3.7
71.04993	1.7
71.08636	6.6
79.05502	23.1
81.03371	0.7
81.07064	100.0
83.04983	1.3
83.08623	13.2
85.06551	4.4
85.10178	2.9
91.05489	17.6
93.07050	26.4
95.04971	2.3
95.08614	83.6
97.06540	8.3
97.10184	6.4
99.08089	6.2
105.07033	11.3
107.08604	12.8
108.21387	0.6
109.06542	1.8
109.10165	44.6
111.08083	4.9
111.11716	1.7
113.09656	3.0
113.60936	0.7
119.08591	13.5
119.09448	0.7
121.10159	17.2
123.08060	2.8
123.10824	1.0
123.11719	20.4
125.09629	0.8
127.11208	1.6
131.08574	1.3
133.10146	15.3
135.11711	7.9
137.09656	2.4
137.13280	7.3
141.12755	2.2
147.11694	9.0
149.13264	8.1
151.11168	1.9
151.14816	7.0
153.12778	0.7
155.14299	0.7
161.13280	10.3
163.14838	8.1
165.16406	9.2
167.14505	0.7
175.14848	7.3
177.16388	1.5
179.17950	3.3
181.15884	1.4
189.16429	3.6
191.48569	0.6
203.17947	1.3
217.19505	1.7
245.22672	32.2
263.14383	1.2
263.23718	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03949	1.6
55.05260	1.1
55.05516	16.1
57.03437	1.6
57.07078	10.5
62.42407	0.6
65.03950	1.7
67.05509	83.0
69.03419	0.7
69.07076	15.1
69.87459	2.3
69.87869	1.2
71.04987	1.0
71.08632	5.4
76.53561	0.6
79.05499	22.7
81.07063	100.0
83.04990	1.8
83.08621	13.8
85.06557	4.5
85.10201	1.7
91.05489	16.4
93.07049	25.3
95.05032	1.4
95.08614	81.3
97.06542	7.2
97.10168	5.7
98.20810	0.8
99.08092	5.6
105.07039	10.0
107.08608	13.1
109.06506	1.9
109.10163	42.9
111.08094	4.9
111.11683	1.4
113.09679	3.1
118.06294	0.6
119.08588	11.2
121.10155	16.8
123.08051	1.7
123.11713	17.4
123.12582	1.2
125.09666	1.2
127.11201	1.4
131.08591	0.7
133.10144	14.2
135.11700	9.5
137.09642	2.3
137.13268	8.4
139.11221	1.0
141.12743	2.1
145.24907	0.6
147.11697	9.9
149.13269	8.7
151.11201	1.4
151.14815	6.7
155.14352	1.2
161.13266	10.8
163.14844	7.6
165.16403	7.8
167.14284	0.9
175.14848	6.7
177.16409	1.9
177.48299	0.7
179.17993	3.4
181.15834	1.0
189.16402	3.6
193.15883	0.7
203.17946	1.4
217.19521	1.5
219.21031	0.9
244.26662	0.6
245.22672	30.5
263.23715	67.3
264.24060	0.7
265.40225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	1.3
55.01873	1.0
55.05513	15.6
56.43965	0.5
57.03438	1.9
57.07077	12.1
57.47389	0.5
60.85287	0.5
65.03945	2.6
65.05347	0.5
67.05506	86.0
69.07069	17.9
69.28162	0.5
71.04991	1.2
71.08633	5.8
71.55878	0.5
79.05496	23.6
81.07059	100.0
82.07372	0.5
83.04963	2.4
83.08620	13.3
85.06539	4.7
85.10188	2.9
86.75375	0.5
90.96371	0.5
91.05485	16.5
93.07047	23.6
95.04974	1.9
95.08609	82.7
97.06527	6.8
97.10184	6.2
99.08091	4.5
105.07032	12.5
106.95235	0.5
107.08600	15.5
109.06509	1.7
109.10161	41.8
111.08089	4.1
111.11716	1.3
113.09669	3.0
117.06995	0.6
119.08578	11.9
121.10143	17.0
123.08077	2.4
123.10816	1.0
123.11710	18.4
125.09659	1.5
127.11213	1.2
133.10133	14.6
135.11697	9.6
137.09686	2.4
137.13252	7.3
139.11198	0.7
141.12741	1.6
147.11690	10.4
149.13260	8.4
151.11116	1.1
151.14807	7.2
155.14272	1.3
159.11780	0.7
161.13271	10.4
163.14833	7.5
165.16402	8.9
167.14288	0.7
175.14828	7.3
175.72316	0.5
177.16428	1.6
179.17966	3.9
181.15863	1.4
189.16431	3.4
193.15860	0.5
203.17984	1.2
205.52766	0.5
217.19478	1.0
219.21077	0.8
245.22665	27.8
247.11569	1.8
248.12340	0.5
263.14719	9.1
263.23709	72.3
264.24048	1.1
280.75085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03946	6.1
54.16700	1.1
55.01873	8.7
55.05511	28.8
55.12354	1.1
57.03435	2.6
57.07066	4.1
57.63491	1.2
59.05005	1.3
65.03925	3.4
67.05509	59.6
69.03445	2.1
69.06721	2.0
69.07073	25.7
69.07443	1.1
69.75190	5.4
71.04984	4.5
71.08624	1.8
73.06585	1.4
74.61444	1.1
77.03921	2.0
79.05497	67.3
81.03405	3.6
81.07063	65.2
83.01353	2.2
83.04974	6.8
83.08620	18.7
85.06543	3.7
87.28442	1.1
91.05487	36.6
93.07050	88.1
95.04973	9.6
95.08611	56.1
95.09241	1.8
97.02872	2.0
97.06523	6.7
97.10172	5.2
98.21473	2.6
99.08109	2.2
103.05479	1.4
105.04553	1.7
105.07032	29.0
107.04952	3.1
107.07873	2.8
107.08598	55.9
109.06509	5.5
109.10159	29.5
111.04474	2.1
111.08121	7.2
113.09641	1.5
117.07014	2.5
119.08595	21.0
121.06519	2.4
121.10155	57.0
123.08085	6.1
123.11751	7.2
125.09621	2.8
129.07008	3.4
131.08582	7.3
133.10146	21.5
135.08061	2.1
135.11696	34.1
137.09628	4.0
137.13234	2.3
139.07539	5.7
139.11171	2.2
143.08575	2.5
145.10106	4.5
147.08002	2.3
147.11697	15.6
149.09648	3.6
149.13271	14.8
149.80611	1.2
151.11194	4.9
151.14816	2.5
153.09126	3.7
153.12738	1.4
157.10144	2.5
159.11713	4.6
161.09584	1.8
161.13280	8.7
163.11276	2.1
163.14839	4.3
165.16412	3.1
167.10768	2.4
171.11717	5.5
173.13275	1.5
175.11197	3.2
175.14789	3.1
175.93343	1.3
179.10593	2.1
179.14232	2.0
185.13281	2.5
189.12788	4.4
189.16365	2.0
193.12242	1.7
199.14854	1.7
203.17917	1.9
207.13782	6.3
217.19527	2.6
221.15456	2.1
227.17990	2.1
235.20709	3.1
245.19055	9.6
245.22652	8.3
263.20084	100.0
263.23630	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03942	4.9
55.01861	4.8
55.05512	31.9
57.03427	2.9
57.07075	3.1
59.05003	1.4
65.03927	2.6
67.05508	57.3
69.03423	6.1
69.06730	1.4
69.07074	17.8
71.04987	5.4
71.08600	1.2
71.31647	2.1
72.08156	1.3
73.25510	1.2
74.78898	1.2
79.05495	53.6
81.03412	4.9
81.06580	2.7
81.07058	46.6
83.04978	4.6
83.08617	10.0
83.90965	1.3
85.06536	4.4
89.57893	1.2
91.05482	24.2
93.07047	69.3
95.04964	10.8
95.08611	47.0
97.02868	4.2
97.06536	4.9
97.10169	8.4
99.08078	1.6
103.05538	1.2
105.04534	1.3
105.07037	22.2
107.04951	2.3
107.07865	2.4
107.08599	42.3
109.06512	6.4
109.10159	33.3
111.08092	3.7
117.07014	6.6
119.07790	1.9
119.08575	19.6
121.06459	3.2
121.10147	39.4
123.08041	8.0
123.11710	6.6
124.02774	1.0
125.09650	5.9
127.07631	1.3
129.07010	4.0
131.08574	7.1
133.06490	1.4
133.10130	15.0
135.08058	2.8
135.11707	24.8
137.09624	13.6
142.07726	1.3
143.08551	4.2
145.10139	9.4
147.08099	1.7
147.11678	10.3
149.09630	4.6
149.13277	8.6
151.11182	4.6
157.10147	4.0
159.11702	5.3
161.09668	1.9
161.13266	9.4
163.11209	4.4
163.14801	2.2
165.09123	2.9
167.10696	1.5
171.11713	5.6
173.11722	6.2
173.13220	2.5
175.11166	2.2
175.14818	3.0
177.12790	1.4
178.65790	1.2
179.14247	1.5
181.12283	1.3
185.13261	3.6
187.14911	2.7
189.12764	2.6
193.12273	1.8
195.13779	6.3
199.14772	1.4
201.16454	1.3
203.18001	2.3
207.13824	3.9
217.19527	4.3
221.15410	2.1
227.17934	5.7
233.13295	1.9
245.19051	15.0
247.77614	1.4
263.20093	100.0
263.22882	4.0
281.12283	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	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
51.02367	1.4
53.03952	6.2
54.17968	1.1
55.01876	1.9
55.05512	20.8
57.07073	2.4
65.03944	2.2
67.05505	32.8
68.53669	1.0
69.03434	1.9
69.07072	14.8
69.57722	5.7
71.04992	2.3
72.08160	1.7
77.03933	1.6
79.05495	88.3
81.03432	1.7
81.07060	38.4
83.04976	1.9
83.08617	9.9
85.06542	2.5
91.05488	32.6
93.07048	100.0
95.04989	8.2
95.08608	31.4
97.06538	3.0
97.10170	4.1
101.06035	1.0
105.04536	1.6
105.07034	21.7
107.04950	2.1
107.08598	74.7
107.62726	1.2
109.06490	5.6
109.10158	12.4
117.07017	3.1
119.08582	16.3
121.06541	1.3
121.10147	67.0
123.08074	1.8
123.11680	3.6
125.09657	2.4
129.06998	2.3
131.08591	6.0
133.10133	14.0
135.08060	2.4
135.11696	39.6
137.09587	1.5
137.13327	1.0
143.08592	3.1
145.10144	5.6
147.08046	1.7
147.11685	10.3
149.09587	2.8
149.13271	13.0
157.10132	1.7
159.11681	4.1
161.09630	2.3
161.13281	2.5
163.11191	2.7
167.10786	1.3
171.11653	2.9
173.13284	1.7
175.07710	1.0
175.11198	1.8
178.73659	1.0
181.12265	1.5
185.13246	2.9
189.12813	1.7
193.12320	2.9
199.14850	1.6
203.14262	1.3
207.13771	2.6
217.15833	1.6
221.13370	1.8
221.15401	2.3
224.17650	1.2
227.17996	3.6
235.11456	1.4
245.19040	5.7
263.14127	2.5
263.16684	3.6
263.20093	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2005
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
53.03944	6.0
54.24622	1.6
55.01857	6.1
55.05515	30.4
57.03432	3.1
57.07072	4.7
59.04993	2.1
59.12270	1.6
65.03961	2.1
67.05511	78.5
69.03426	7.3
69.07074	27.2
71.04992	5.4
71.08631	1.9
71.28928	3.2
75.38123	1.8
79.05067	3.5
79.05501	52.2
79.05966	3.6
81.03404	5.1
81.07065	76.6
83.04978	7.1
83.08632	14.2
85.06535	4.0
85.62631	1.8
91.05494	30.2
93.06473	3.7
93.07056	65.5
95.04974	13.4
95.08614	71.7
97.02880	4.5
97.06552	9.5
97.07074	1.6
97.10190	12.1
99.08025	2.5
99.66957	2.3
101.56914	1.8
105.07037	27.5
107.04941	3.8
107.08611	43.2
109.06506	8.0
109.09478	2.9
109.10173	47.6
111.08063	6.5
111.11697	2.3
117.07034	5.2
119.08583	22.5
120.08199	2.1
121.06497	5.4
121.10151	33.4
123.08101	12.9
123.11716	12.3
125.09621	7.2
127.03894	1.8
129.06972	3.3
131.08582	8.5
133.06494	2.1
133.10139	20.7
135.08040	4.4
135.11694	23.7
137.09630	13.9
137.13286	3.5
143.08554	4.1
145.10129	7.4
147.08031	2.9
147.11690	13.3
149.09616	5.8
149.13290	10.9
151.11195	3.4
157.10161	3.5
159.11717	7.4
161.13260	11.4
163.11140	2.6
163.14783	3.3
165.09119	3.5
165.16342	2.4
167.10677	2.1
171.11639	3.8
173.11736	7.2
175.14845	4.4
175.18839	2.0
177.12701	2.0
180.87578	1.9
181.12207	2.5
185.13333	4.3
189.12724	2.3
195.13823	6.5
203.17905	4.5
207.13734	3.0
217.19464	3.4
221.13362	2.0
221.15388	3.3
226.52126	1.7
227.17982	5.4
235.11641	2.8
245.19052	13.7
245.22643	7.1
263.14456	7.6
263.20084	100.0
263.23630	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	262.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44024	0.4
53.03945	2.1
55.05515	55.3
57.98806	1.1
58.06602	0.6
58.99590	46.8
60.08161	0.9
61.01151	1.6
69.07060	0.6
69.80078	1.1
69.80485	2.0
70.06598	1.2
72.08173	1.3
73.01152	3.3
76.04006	6.0
79.60059	0.6
81.07066	0.5
83.08623	37.1
84.08153	0.6
85.02879	0.6
86.09679	1.0
86.99056	29.6
88.02219	9.5
91.05489	0.9
98.20825	0.8
101.09644	1.3
108.38283	0.5
113.46242	0.5
116.01682	100.0
117.07053	0.5
120.08085	1.7
130.06535	2.1
131.06871	0.8
132.06557	0.6
144.01154	41.9
147.04408	1.4
158.06044	1.0
158.09721	0.7
159.06313	1.0
162.02211	76.3
230.13968	0.5
234.11235	0.6
238.98438	1.0
262.07584	0.5
262.10455	0.8
262.12610	0.9
263.14035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34731	40.8
84.51720	10.3
84.64394	11.3
101.00934	11.4
103.09808	11.1
119.01922	23.1
140.59647	11.8
143.01930	21.1
143.82555	11.3
161.02960	38.1
263.01663	100.0
263.05847	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	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90034	0.6
53.66140	0.5
58.98546	0.8
58.99852	1.0
70.99863	1.6
71.54682	1.3
77.00888	2.7
78.61971	0.6
82.99841	0.9
89.00867	2.2
90.09559	0.6
95.01926	0.8
101.00890	11.1
109.02876	1.0
112.89626	1.1
114.89324	0.9
115.02420	1.2
119.01153	1.0
119.01933	17.2
127.02411	1.4
131.01912	1.6
133.03474	1.0
134.90117	0.6
137.02925	1.4
139.02385	2.9
143.01898	6.6
145.03497	5.7
153.02412	0.8
157.03459	14.7
159.01358	1.7
161.02968	15.2
167.01888	1.0
175.04501	4.6
179.03929	0.9
185.02930	5.7
203.02477	0.8
203.04022	7.3
220.06822	0.7
221.05067	10.9
239.06082	8.6
245.04990	1.4
263.06110	100.0
281.07159	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90034	0.6
53.66140	0.5
58.98546	0.8
58.99852	1.0
70.99863	1.6
71.54682	1.3
77.00888	2.7
78.61971	0.6
82.99841	0.9
89.00867	2.2
90.09559	0.6
95.01926	0.8
101.00890	11.1
109.02876	1.0
112.89626	1.1
114.89324	0.9
115.02420	1.2
119.01153	1.0
119.01933	17.2
127.02411	1.4
131.01912	1.6
133.03474	1.0
134.90117	0.6
137.02925	1.4
139.02385	2.9
143.01898	6.6
145.03497	5.7
153.02412	0.8
157.03459	14.7
159.01358	1.7
161.02968	15.2
167.01888	1.0
175.04501	4.6
179.03929	0.9
185.02930	5.7
203.02477	0.8
203.04022	7.3
220.06822	0.7
221.05067	10.9
239.06082	8.6
245.04990	1.4
263.06110	100.0
281.07159	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.7
55.05507	3.9
56.05041	10.5
57.03447	2.2
61.01141	5.2
66.67989	1.4
67.05507	3.7
69.03419	4.7
69.07043	5.3
70.06250	2.1
70.06606	22.1
71.01353	2.1
71.05000	1.7
72.08157	18.8
73.02927	2.5
79.05483	4.8
81.03423	3.5
81.07065	3.2
82.58741	1.6
83.04957	2.5
84.04501	3.8
84.08129	5.8
85.02906	7.0
86.09713	100.0
87.04475	4.5
88.04029	1.8
91.05499	11.1
91.16166	1.5
93.07077	2.7
95.04967	4.8
95.08604	3.1
97.02895	4.0
97.06512	2.6
99.04456	2.8
103.03950	3.3
103.05495	3.8
104.05337	17.8
105.03365	2.1
105.07037	7.2
107.04977	13.6
110.07215	2.1
115.05423	2.9
117.07024	3.9
117.57317	1.6
119.04942	10.7
119.08553	3.8
120.08115	3.3
121.02916	8.1
121.06480	4.3
121.88934	1.6
123.04440	15.4
123.08054	1.5
124.07617	1.6
125.07133	2.6
128.06201	4.1
128.07062	1.9
129.07034	3.9
130.05016	2.9
130.06575	2.4
131.04913	7.4
131.08577	2.9
133.03107	3.4
133.06491	11.5
134.06035	2.4
134.09639	4.4
135.04376	2.7
137.02361	1.9
137.05997	2.0
141.07025	3.3
143.04927	2.2
143.08473	3.0
144.05652	1.8
145.06537	14.5
147.04413	30.7
147.08107	7.8
149.05971	6.4
150.05869	15.1
153.06999	2.2
157.06485	13.4
157.10135	2.2
159.04410	3.5
159.08034	4.8
160.05223	2.8
160.07573	2.1
161.05997	10.9
163.04047	1.8
163.07436	2.2
165.05496	3.5
169.06531	2.0
169.13368	3.3
171.04355	2.8
171.08054	7.5
171.11674	1.7
173.05997	16.8
173.09665	2.5
175.06233	1.7
175.07478	8.5
177.05482	4.2
178.04950	2.8
181.06474	5.4
185.06023	9.8
187.07545	2.8
189.05466	5.7
191.07051	3.0
192.13808	3.5
199.07552	13.9
199.11255	2.3
201.05518	3.1
203.06995	9.9
203.10550	1.8
217.05005	1.6
217.08502	9.1
217.12022	3.1
227.07094	8.7
235.07497	1.9
245.08124	5.3
245.12593	5.5
246.11220	4.4
263.04938	2.1
263.09814	14.3
263.14215	20.6
263.16946	2.7
263.21011	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2216
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.55116	0.5
53.03954	2.3
55.01881	0.8
55.05263	0.9
55.05516	13.8
57.03439	0.8
57.07073	3.2
59.04989	0.5
62.09661	0.5
65.03954	1.8
67.05511	39.3
69.07073	12.0
69.26447	5.2
71.04992	2.3
71.05361	0.5
71.08632	1.5
73.50767	0.5
77.03916	0.9
79.05500	45.4
81.07065	46.9
83.05002	1.1
83.08638	7.2
85.06560	3.2
89.20753	0.5
91.05490	26.4
93.07053	69.0
95.04974	4.0
95.08615	35.3
97.06549	2.8
97.10198	3.2
98.21507	1.2
99.08095	3.6
102.43064	0.5
105.04507	0.9
105.07040	18.0
107.04954	0.6
107.08605	40.5
109.06504	2.5
109.10168	13.6
111.08088	2.3
111.11728	0.6
113.09679	1.3
117.07034	7.1
119.06113	0.7
119.08588	13.9
121.10156	39.5
123.08086	2.4
123.11732	5.0
125.09632	0.9
129.07002	1.0
130.07727	0.6
131.08585	15.6
133.10139	12.3
133.11093	1.0
135.08075	1.2
135.11707	32.3
137.09621	2.0
137.13324	1.2
139.11227	0.9
145.10130	14.6
147.11705	11.5
149.09601	1.5
149.13269	25.9
151.11258	1.0
151.14812	0.6
153.12717	1.1
159.11693	9.2
161.13287	12.3
163.14830	19.9
165.12802	1.5
173.13269	9.9
175.14854	4.1
177.12816	0.9
177.16389	6.3
179.14284	1.2
185.13278	0.8
187.14816	7.2
189.16478	1.1
201.16447	3.0
203.18028	0.7
203.23628	0.5
205.15843	0.9
215.17984	2.0
219.17494	0.7
233.22803	0.8
243.21109	32.7
261.16299	2.1
261.22165	100.0
262.22421	0.8
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	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.05517	9.2
57.07090	3.3
64.09721	0.6
65.03939	1.1
67.05510	30.7
69.07072	11.0
70.92007	1.0
70.92321	0.6
71.04989	2.0
71.08626	2.3
77.03904	1.0
79.05498	41.4
81.03394	0.8
81.07062	41.2
83.04980	0.9
83.08617	6.4
85.06538	2.9
89.13605	0.7
91.05487	23.4
93.07051	57.8
95.04964	3.5
95.08614	29.9
97.06514	3.1
97.10148	3.4
99.08089	2.5
105.07040	15.6
107.08604	37.3
109.06515	1.4
109.10161	13.1
111.08076	2.6
113.09606	1.0
117.07032	4.3
119.07790	0.5
119.08582	13.2
120.44643	0.7
121.10151	35.4
123.08064	1.9
123.11711	4.2
129.07008	0.8
131.08583	11.7
133.10138	10.7
135.08112	0.9
135.11700	27.8
137.09621	1.2
137.13257	1.2
139.11224	0.9
145.10150	12.5
147.11696	9.9
149.09633	1.4
149.13271	23.9
151.11211	1.6
151.14792	0.8
159.11714	9.2
161.13280	10.5
163.14835	15.2
165.12704	1.1
173.13287	9.0
175.14865	4.1
177.16379	5.2
179.14389	1.1
187.14845	7.2
189.16556	0.8
191.14325	0.8
201.16451	3.7
203.17863	1.0
205.15909	1.2
215.17949	1.6
217.19566	1.1
219.17497	0.8
231.11635	1.3
233.22626	1.5
238.71245	0.7
243.21095	29.7
261.22159	100.0
262.14316	0.7
262.22534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	3.5
55.05519	10.4
57.03430	2.3
57.07055	4.1
67.05511	36.2
69.07076	8.8
69.43671	10.4
71.04998	1.8
71.08630	1.7
76.30426	1.2
79.05074	2.2
79.05502	36.8
81.07066	38.3
83.04987	2.8
83.08611	5.6
85.06535	4.0
91.04966	2.0
91.05489	26.1
93.07053	49.5
95.04956	4.2
95.08615	31.4
97.06525	6.3
97.10195	3.4
98.20704	2.2
99.08084	4.9
105.07040	23.2
107.08604	35.0
109.06506	4.8
109.10162	18.1
111.08086	4.2
115.05497	1.4
117.07030	11.7
119.08596	15.5
121.09322	2.6
121.10153	35.4
123.08057	2.5
123.11712	5.3
125.09617	1.9
131.08582	28.5
133.10153	16.6
135.08022	1.4
135.11710	27.9
137.09610	4.3
141.55042	1.2
145.10150	23.9
147.11703	15.3
149.09624	2.8
149.13274	17.6
151.11131	1.7
151.14755	1.6
159.11710	16.6
161.13255	12.9
163.11212	1.4
163.14856	13.0
165.12738	2.8
173.13289	16.4
175.14845	8.2
176.65230	1.3
177.16417	7.6
179.14325	1.8
183.00833	1.2
187.14844	11.3
197.29933	1.4
201.16403	4.2
202.08771	1.7
203.17970	2.9
215.17967	5.1
217.19508	5.1
234.11334	2.1
243.21115	64.2
261.12933	2.8
261.22168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.56956	1.1
53.03938	3.4
55.05514	12.3
57.03421	1.3
57.07060	3.0
65.03919	1.6
67.05507	43.5
69.07071	11.7
69.88492	4.8
69.88845	1.6
75.15021	0.9
79.05498	58.9
80.05795	1.1
81.07061	42.5
83.08601	6.4
85.06539	4.0
91.05489	23.8
91.06055	0.7
93.07046	72.1
95.04955	4.3
95.08609	36.3
95.79022	1.0
96.95772	1.1
96.97377	1.0
97.06532	3.3
97.10159	2.0
98.20797	1.5
99.08117	2.5
105.07033	18.7
107.08598	46.4
109.06502	2.4
109.10168	14.5
111.08086	4.1
113.09629	1.8
117.07019	7.7
119.08588	15.7
121.10148	41.7
123.08075	2.0
123.11716	3.9
131.08582	10.8
133.10130	12.5
135.11696	32.7
137.09566	1.1
140.19000	1.0
140.46242	0.9
145.10126	12.0
147.11676	11.4
149.13263	25.3
151.14879	1.6
159.11682	9.6
161.13274	13.9
163.14824	18.1
165.12781	2.4
173.13304	9.7
175.14825	4.1
176.72586	0.9
177.16426	5.1
179.14314	1.6
187.14827	6.5
195.73566	1.0
201.16388	2.7
215.17967	1.6
233.22554	1.2
243.21094	29.4
261.22156	100.0
262.22552	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84296	0.5
53.03941	3.3
55.01880	0.7
55.05512	13.8
57.03437	1.6
57.07077	3.3
57.81911	0.4
59.85493	0.4
60.41087	0.5
65.03960	1.3
67.05508	39.4
69.07073	13.1
69.36873	4.4
70.71483	0.4
71.04989	2.2
77.03922	1.1
79.05497	53.9
81.03409	0.9
81.07060	47.2
83.04958	1.0
83.08621	7.2
85.06544	4.2
91.05482	28.3
93.07047	70.1
95.04980	3.7
95.08609	34.1
97.06548	3.0
97.10159	2.6
99.08090	4.0
105.04522	1.0
105.07036	19.3
107.08598	49.3
109.06508	2.6
109.10165	14.0
111.08079	3.5
111.11676	0.6
113.09669	1.3
117.07018	5.6
119.08582	17.0
121.10149	42.2
123.08047	1.6
123.11722	4.6
125.09639	0.9
127.11148	0.6
131.08568	14.2
133.10132	13.6
133.11084	0.9
133.13007	0.4
135.11697	32.7
137.09634	1.7
137.13248	1.4
139.11171	0.8
145.10126	14.6
147.11693	11.4
149.09579	0.9
149.13264	27.3
151.11133	0.6
151.14888	1.1
153.12749	1.2
159.11714	12.3
160.65981	0.6
161.13258	11.2
163.11174	0.8
163.14833	19.2
165.12753	1.3
167.60640	0.5
172.87729	0.5
173.13275	9.5
175.14833	4.7
177.12767	0.5
177.16393	4.7
179.14305	2.4
182.34119	0.7
187.14839	8.1
189.16393	0.9
191.14362	0.7
201.16356	3.4
205.15843	0.7
215.17990	1.5
217.19447	0.7
219.17493	1.1
233.19081	0.7
233.22618	1.2
243.18472	0.7
243.21095	29.2
261.22150	100.0
262.22424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.05510	12.3
57.03437	1.7
57.07063	4.3
62.82556	1.1
65.03925	1.8
67.05507	36.3
69.07072	13.4
69.87990	4.6
71.04999	1.9
77.03934	1.4
79.05495	52.4
81.07060	46.3
83.04973	1.2
83.08631	5.8
84.09054	1.2
85.06538	3.8
91.05482	25.7
93.07047	67.4
95.04961	3.0
95.08611	34.6
97.06542	2.3
97.10185	2.3
99.08081	2.9
105.07044	17.2
107.08594	45.6
109.06535	2.0
109.10155	14.5
111.08081	4.3
113.09646	1.2
117.07005	5.7
119.07815	1.1
119.08604	16.9
121.10150	41.8
121.11034	2.2
123.08092	1.4
123.11736	4.9
131.08563	16.5
132.05290	1.0
133.10115	12.2
135.11690	36.6
137.13196	2.0
139.11211	1.2
145.10120	12.9
147.11700	11.7
149.13264	26.3
151.11185	1.3
153.12772	1.9
159.11684	8.1
161.13261	9.5
163.14830	16.8
165.12686	1.5
173.13297	8.9
175.14816	4.3
177.16391	5.8
179.14284	1.7
187.14819	6.9
188.04884	1.2
201.16451	2.9
203.17921	1.2
215.17969	1.8
233.22581	1.4
243.21095	29.1
256.68402	1.2
261.22150	100.0
262.69525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02396	0.5
60.08167	31.7
70.68733	1.6
115.05486	1.2
117.05817	1.0
125.83199	0.5
130.06532	1.1
132.08127	1.2
142.06544	2.7
143.07280	6.8
144.04456	3.0
145.05241	5.0
158.09682	0.9
160.07585	100.0
161.07924	0.9
170.06024	8.8
202.08635	85.5
203.09001	1.3
261.15970	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02369	1.4
52.05284	1.0
53.03935	4.4
55.01871	2.7
55.05265	1.2
55.05516	19.5
56.96576	0.9
57.03445	1.3
57.07083	7.3
65.03928	1.3
67.05509	45.0
69.03455	1.1
69.07078	15.0
70.47247	2.3
71.04996	2.2
71.08624	4.2
79.05499	74.8
81.07064	49.5
83.04974	2.5
83.08630	8.9
85.06532	4.0
85.10172	2.7
91.05490	40.9
91.05981	0.7
91.06078	1.5
93.07052	92.3
95.04979	7.2
95.08612	42.5
97.06538	6.1
97.10155	2.8
99.08117	5.5
101.13184	0.9
105.04531	1.2
105.07037	27.0
107.04919	2.1
107.08603	54.8
109.06513	3.5
109.10157	15.7
111.08070	2.6
113.09668	2.4
117.07025	12.0
119.06123	1.1
119.07784	1.7
119.08578	20.7
121.10152	43.6
123.08083	1.9
123.11715	5.1
131.08577	21.6
133.10158	16.1
135.08018	4.4
135.11707	31.6
137.09608	2.2
137.13234	1.3
144.09279	1.2
145.10124	21.6
147.11691	13.9
149.09647	7.8
149.13274	20.7
151.11206	1.3
158.07274	1.1
159.11705	12.6
161.09621	1.3
161.13293	12.0
163.11174	2.5
163.14850	15.6
165.12804	1.2
165.16443	1.3
171.11684	1.1
173.13255	13.3
175.14857	4.3
177.16371	4.7
179.14415	1.3
183.11687	1.3
185.13242	1.0
187.14809	6.9
201.16394	3.2
203.17960	1.0
205.15910	0.9
209.85295	0.9
215.10800	1.0
215.17986	2.3
217.19470	1.5
219.17593	1.1
233.22675	2.4
243.17346	1.1
243.21103	33.2
261.18668	8.0
261.22156	100.0
262.22430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02369	0.4
53.03943	2.3
55.05512	13.9
57.03446	1.9
57.07078	3.4
58.87906	0.3
65.03946	1.3
67.05503	37.7
69.03448	0.4
69.07066	12.6
69.40318	2.4
71.04994	2.2
71.08630	1.4
73.29659	0.4
77.03937	1.6
79.05492	53.5
81.03429	0.4
81.07057	43.4
83.04989	0.9
83.08617	6.5
85.06537	3.2
91.05479	27.8
93.07043	69.8
95.04976	3.9
95.08604	35.1
97.06530	3.2
97.10168	2.9
99.08082	3.3
99.96393	0.4
103.05502	0.4
105.04536	0.9
105.07028	19.3
105.63488	0.4
107.08596	45.1
109.06526	1.5
109.10158	13.5
111.08094	2.8
111.11687	0.5
113.09656	1.3
117.07003	6.9
119.06120	0.6
119.08585	14.0
119.09444	0.9
119.67289	0.4
121.06467	0.5
121.10143	38.7
123.08091	1.2
123.11706	4.8
124.47948	0.4
125.09627	1.2
129.06993	0.4
131.08571	13.7
132.85802	0.4
133.10126	12.6
135.11693	32.3
137.09642	1.5
137.13243	1.4
139.11140	1.0
145.10124	14.4
147.11696	11.7
147.12604	0.4
149.09669	0.7
149.13251	25.7
151.11165	0.7
151.14798	0.7
153.12758	1.3
157.10149	0.4
159.11685	10.5
161.13252	11.0
163.11142	0.4
163.14819	18.6
165.12752	1.5
173.13260	10.5
175.14856	4.8
177.16377	4.3
179.14340	1.6
187.14825	6.2
189.16385	0.9
191.14284	0.5
201.16364	4.9
205.15881	0.7
215.17963	1.4
219.17451	0.9
233.22728	1.2
243.21083	29.3
261.22134	100.0
262.22412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0309
Annotation	Ifosfamide
Peak:m/z	Relative Intensity
56.96564	0.8
67.42648	0.2
68.55488	0.2
70.38569	0.6
70.60307	0.2
71.95267	0.2
78.71893	0.2
81.15076	0.2
82.99871	0.3
91.34877	0.2
91.58367	0.2
98.97590	4.5
101.00886	2.6
116.98625	3.3
119.01929	7.6
120.02032	0.3
120.97938	0.2
121.75271	0.2
124.29398	0.2
134.99731	1.5
137.02963	1.5
140.98737	0.4
158.99823	1.4
161.02974	0.4
165.99660	0.3
175.03012	0.3
177.00964	13.8
178.01099	0.2
182.99886	0.4
195.01900	0.3
199.02974	0.2
201.00908	1.5
217.04109	3.1
219.02020	19.8
220.02191	0.6
221.01793	0.3
225.00888	2.1
225.02730	0.2
233.03476	0.2
236.98798	0.3
237.98697	1.8
238.98404	0.3
242.03532	0.3
243.02014	10.5
244.02097	0.3
257.03323	0.2
260.04742	0.3
261.03076	100.0
262.03220	2.7
263.03421	0.4
266.03699	0.3
275.04593	1.0
279.00510	2.4
279.02887	0.2
284.04672	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	261.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40782	8.2
53.22396	7.7
60.25058	8.5
71.06963	19.8
71.07302	9.1
85.61776	8.6
93.58276	8.0
98.97607	12.1
121.27122	7.6
123.59296	8.8
132.01103	7.7
144.22742	7.7
166.98026	7.4
261.04904	100.0
261.11670	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	261.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01882	7.2
55.05514	23.1
55.97659	1.1
56.05023	4.6
57.07084	8.8
58.99591	17.3
61.01143	4.5
65.03939	1.2
67.05496	4.2
68.05033	1.2
69.03433	1.5
69.07079	5.3
69.74108	6.3
70.02957	2.1
70.06583	4.1
72.08153	1.8
73.01151	8.9
74.00666	7.5
74.02435	1.6
76.02229	5.6
76.04002	3.5
79.05498	9.2
80.95663	1.2
81.07066	27.0
82.06583	2.9
83.08619	16.3
84.04504	10.7
84.08144	1.1
85.01145	8.2
85.04029	1.3
86.99047	7.0
87.02728	1.7
88.02220	8.1
91.05498	4.7
93.07047	4.0
95.08610	7.4
96.08105	1.6
97.02928	2.3
97.06516	2.9
98.09689	5.6
99.02692	9.9
100.11263	46.0
102.03793	1.3
105.07037	4.7
107.08589	5.9
109.10152	3.6
112.03973	19.2
112.11252	16.4
113.04302	1.6
115.05792	13.3
116.01682	30.9
116.05325	20.1
117.06989	1.8
119.08583	1.5
121.06503	1.3
121.10166	2.6
122.09661	2.6
124.11236	5.8
130.05000	14.5
131.08589	2.8
133.10123	4.0
135.11671	2.4
141.07332	19.5
143.08905	1.2
144.01160	7.3
145.06346	1.1
145.10117	2.2
149.13283	2.1
149.27222	1.1
158.10007	100.0
158.11777	53.8
159.08119	1.4
159.11746	2.4
162.02235	14.7
165.05531	1.2
187.14931	1.7
201.05597	1.0
202.08640	1.2
213.63150	1.2
215.07030	1.4
217.07619	1.7
231.11603	1.1
243.21140	2.1
244.10057	43.8
261.12711	70.9
261.14774	2.9
261.18304	5.7
261.22217	3.2
261.25262	1.0
264.14481	1.1
269.57101	1.2
278.39026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08169	31.4
70.68665	1.0
72.14513	0.4
78.38982	0.6
84.92842	0.4
115.05451	1.5
117.05780	2.0
130.06496	1.1
132.08090	0.9
133.57573	0.4
142.06500	3.3
143.07312	7.5
144.04483	2.5
145.05237	4.9
158.09694	0.8
160.07591	100.0
161.07962	1.0
170.06015	8.6
202.08643	73.6
203.08946	0.6
225.71268	0.5
261.15930	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.46901	0.5
53.03930	1.9
55.01869	1.2
55.05512	8.8
57.03434	1.4
57.07080	4.2
58.07398	0.6
62.06080	0.6
65.03948	1.2
67.05509	19.2
69.07072	8.2
69.42381	3.2
70.06596	0.6
71.04994	1.4
71.08636	3.4
77.03904	0.7
77.10187	0.5
79.05495	18.2
81.07060	19.6
83.04955	1.4
83.08621	4.7
85.06554	1.8
85.10197	0.6
91.05485	37.1
91.42130	0.5
92.56181	0.6
93.07050	18.4
95.04957	1.9
95.08608	13.5
97.06533	6.3
97.10148	1.0
98.21456	0.9
99.08118	3.1
103.05474	1.8
104.62582	0.5
105.07037	58.9
107.04955	1.1
107.08594	10.5
107.92020	0.6
109.06499	1.1
109.10165	4.5
111.08092	1.9
115.05472	2.0
117.07021	15.8
118.07819	0.7
119.04909	0.6
119.08588	36.2
121.06466	0.8
121.10149	6.9
123.08050	1.4
123.11692	0.7
125.09624	0.8
128.06201	2.6
129.07004	10.0
130.07791	1.4
131.08572	17.8
133.06454	1.8
133.10138	29.0
135.08060	2.2
135.11705	4.6
137.09651	0.6
139.11179	0.5
141.06978	0.8
142.07779	1.1
143.08575	12.8
145.10123	18.9
146.10910	1.0
147.08012	1.7
147.11693	27.5
147.93423	0.6
149.09636	1.5
149.13281	3.6
151.11098	0.7
155.08403	0.6
156.09213	0.7
157.10144	10.9
159.11696	13.3
161.09604	1.8
161.13263	22.2
163.03954	1.2
163.11165	2.1
163.14876	1.0
165.12846	0.6
170.10934	0.6
171.11699	11.4
173.02399	1.5
173.13258	9.0
175.11159	2.5
175.14807	7.2
177.12724	1.4
185.13258	9.9
187.14825	2.1
188.12018	0.5
189.12721	3.3
189.16365	1.1
199.14845	9.3
201.12735	0.7
201.16415	0.6
203.14319	1.0
213.16386	2.0
215.06952	1.1
215.17955	1.4
217.15947	1.1
231.17523	0.7
231.21056	3.3
241.19522	19.6
241.27435	0.6
243.87144	0.6
259.05978	0.7
259.20587	100.0
259.28189	11.5
260.20905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03951	1.3
55.01860	1.3
55.05262	0.7
55.05513	8.7
56.22441	0.3
57.03441	1.8
57.07081	5.7
58.06612	0.8
58.07403	1.4
60.15558	0.3
65.03950	1.2
67.05508	19.4
69.03405	0.4
69.07073	8.8
70.06614	0.8
71.04994	1.4
71.08633	1.9
71.55917	0.5
72.08158	12.8
72.08949	0.5
73.07862	0.5
73.08494	3.9
77.03928	0.4
79.05495	18.7
81.03423	0.6
81.07062	20.3
83.04976	1.4
83.08642	3.0
84.17109	0.4
85.06512	2.0
85.10184	0.7
88.07637	0.7
89.03924	0.8
89.07949	0.4
90.09201	10.1
91.05486	37.4
91.09524	3.5
93.07050	17.4
95.04973	2.2
95.08611	14.2
97.02918	0.4
97.06538	10.8
97.10130	1.0
99.08096	1.3
103.05476	1.6
105.03430	0.4
105.07035	51.4
107.04972	1.0
107.08607	10.0
109.06536	1.2
109.10161	5.3
111.08088	1.3
111.11678	0.3
113.09637	0.7
114.27032	0.4
115.05455	1.1
117.03384	0.7
117.07024	13.3
118.07800	0.6
119.08586	38.2
121.06564	0.5
121.10150	7.3
123.08093	0.7
123.11719	1.9
125.09612	0.5
128.06203	2.6
129.07002	8.1
130.07790	1.1
131.07578	0.8
131.08577	16.7
133.02847	0.5
133.06502	0.8
133.10138	31.0
135.04425	0.7
135.08051	1.2
135.11708	4.6
137.09645	0.4
139.11203	0.4
141.07051	0.7
142.07793	1.7
143.08565	9.4
145.02823	0.6
145.10135	15.8
145.11301	0.8
146.10797	0.6
147.08076	1.0
147.11699	23.6
149.09645	1.5
149.13283	4.1
151.11174	0.4
155.08493	0.6
157.10133	8.1
159.04453	0.5
159.08055	0.5
159.11697	13.1
161.02388	1.0
161.09645	1.6
161.13263	17.6
163.03909	4.4
163.11238	1.2
163.14828	1.6
169.10136	0.9
170.10930	0.4
171.11703	10.2
173.02341	3.9
173.13268	8.4
175.11198	1.2
175.14842	9.9
177.12764	1.3
177.16394	0.5
179.14278	0.4
181.06369	0.4
183.11688	0.7
185.13272	8.7
187.14828	1.5
189.12723	1.1
189.16371	1.1
199.14868	5.9
201.16385	1.3
203.14346	0.9
213.12508	0.4
213.16397	1.4
215.07010	3.9
215.17976	1.3
215.25713	0.5
217.05014	0.6
217.15953	0.8
231.17557	0.8
231.21034	3.0
241.08578	0.5
241.19525	17.0
259.05954	0.7
259.09702	1.9
259.20596	100.0
259.28256	79.1
260.20859	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.60404	1.7
51.72191	1.6
55.05516	9.4
57.07064	2.5
67.05507	8.7
69.06731	2.0
69.07072	27.6
69.98352	9.4
71.04993	21.1
73.54346	1.9
79.05473	5.3
81.07058	16.3
83.04996	3.1
83.08600	5.2
85.06552	17.5
91.05472	10.6
93.07053	14.1
95.08611	15.9
105.07028	24.3
107.08605	17.3
109.06535	7.0
109.10173	12.9
111.08083	8.1
115.05436	2.0
117.07030	7.1
119.08595	47.0
121.10159	12.5
123.08109	3.6
123.11713	22.4
129.06982	4.1
130.07764	3.1
131.08566	14.2
133.10138	31.4
135.08060	12.1
135.11670	5.7
137.09599	3.3
142.07825	2.4
143.08553	7.9
145.10136	30.1
146.48779	1.8
147.11707	19.5
149.09622	4.2
156.09369	5.5
157.10152	11.2
159.11691	28.3
160.12511	2.8
161.09616	2.1
161.13258	30.3
163.11162	3.2
170.10904	2.4
171.11678	13.4
173.13245	9.1
175.11194	4.6
175.14835	80.8
176.15544	3.8
177.12741	3.2
177.16339	3.5
185.13271	14.8
189.12813	4.4
189.16368	5.6
190.13571	2.6
191.14290	2.3
199.14793	2.7
201.16399	23.8
203.14279	9.0
215.17964	4.6
217.19490	3.8
229.16034	2.1
241.19554	16.8
242.20186	2.1
259.20593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.01603	0.5
51.31809	0.4
53.03941	1.5
55.01869	1.7
55.05267	0.6
55.05518	9.6
57.03426	1.7
57.07082	2.6
57.36687	0.4
65.03930	1.4
67.05508	21.4
69.07074	9.7
70.68264	0.5
70.68602	1.1
71.04986	1.8
71.08628	1.1
72.08133	0.6
79.05498	19.3
79.05960	1.0
81.03416	0.9
81.07060	18.9
83.04976	1.2
83.08636	3.2
85.06544	2.5
89.03912	1.4
91.05485	40.6
91.82236	0.4
93.06470	1.0
93.07047	17.4
95.05000	3.0
95.08615	14.5
97.06538	17.8
97.10191	1.0
99.08095	1.8
103.05427	1.4
105.07036	54.0
107.04972	0.7
107.08600	11.6
109.06522	1.9
109.10168	5.1
111.08067	1.2
113.09573	0.5
115.05481	1.4
116.06249	0.6
117.03410	0.8
117.07030	13.1
118.07832	0.9
119.08588	38.8
120.08945	0.6
121.06551	0.9
121.10157	5.8
123.08087	0.9
123.11679	1.8
125.09631	0.5
128.06192	2.3
129.07013	8.3
130.07771	1.0
131.08575	18.8
133.02829	1.1
133.06476	0.6
133.10138	31.8
135.04431	2.1
135.07991	1.2
135.11705	4.3
137.09602	1.0
141.06981	1.4
142.07803	3.4
143.08563	11.8
144.09360	1.1
145.02745	1.1
145.10129	17.6
145.11296	0.8
146.10719	0.7
147.04427	0.7
147.08041	1.4
147.11696	25.4
149.09604	1.5
149.13269	3.9
151.11130	0.6
155.08514	1.3
156.09369	1.1
157.10144	10.9
159.04419	0.8
159.11705	16.0
161.02390	2.8
161.09624	1.8
161.13266	15.9
163.03918	6.5
163.11226	1.6
169.10233	1.3
171.08040	0.6
171.11693	11.7
173.02341	6.8
173.13275	9.5
175.11143	2.0
175.14835	9.8
177.12759	1.2
183.11772	0.7
184.12479	0.7
185.13289	8.9
187.03937	0.5
187.14825	1.9
189.12773	2.1
189.16354	1.2
199.14798	10.2
200.27905	0.5
201.16399	1.5
203.14378	1.1
213.05661	0.5
213.16451	2.3
215.07056	7.5
215.17975	2.0
217.15903	1.5
231.17427	0.9
231.20993	2.5
241.19530	18.0
259.05991	0.9
259.09683	4.5
259.20587	100.0
260.21014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.206
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03934	2.4
55.05516	16.5
57.03444	10.6
57.07087	7.1
67.05507	20.1
69.07076	14.7
69.61844	4.8
69.62267	5.9
71.04959	2.0
71.08621	2.1
79.05502	21.5
81.07067	22.8
83.08627	7.9
85.06548	3.6
91.05491	46.6
93.07052	20.1
95.04989	2.1
95.08613	22.2
97.06537	7.6
97.10137	1.8
99.08089	4.8
103.05466	1.9
105.07037	72.2
107.08595	15.0
109.06535	1.6
109.10159	6.2
111.08067	2.7
113.09667	1.6
115.05451	4.4
117.06222	2.6
117.07028	52.2
119.08595	48.4
121.10152	12.9
125.09621	3.3
128.06219	6.4
129.07028	24.1
130.07747	3.9
131.08583	64.1
133.06453	1.7
133.10139	57.1
135.11697	5.1
139.11156	2.3
142.07744	5.6
143.08580	27.4
144.09334	2.2
145.10135	47.2
147.07996	1.8
147.11707	40.3
149.09706	3.3
149.13260	4.5
151.11104	1.8
156.09381	3.0
157.10170	21.9
159.11705	93.0
160.12093	2.4
161.09657	2.5
161.13303	14.4
163.11176	4.1
169.10153	1.6
171.11713	31.3
173.13283	56.3
175.11163	2.0
175.14857	6.7
177.12788	1.8
185.13287	35.3
187.14842	50.0
189.12782	2.1
190.30524	1.6
199.14857	20.8
201.16339	2.6
203.18121	3.4
213.16376	4.7
215.07143	2.7
215.18083	2.2
231.25110	5.1
241.19519	44.6
244.12442	2.1
259.05948	2.0
259.14917	3.4
259.20587	100.0
259.24637	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	259.206
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03938	1.5
55.01857	0.8
55.05520	11.8
56.56659	0.8
57.03434	1.4
57.07059	3.7
62.29300	1.0
65.03933	1.4
67.05508	18.1
69.07071	9.7
71.04995	1.4
72.95165	0.8
79.05064	1.3
79.05499	18.9
81.07061	18.4
83.08630	5.5
85.06541	1.3
85.81078	0.9
91.05486	40.0
93.07051	16.9
95.04982	1.8
95.08613	17.7
97.06526	3.7
97.10183	1.5
98.21503	2.2
99.08116	2.2
103.05464	2.2
105.03388	3.7
105.07040	74.8
107.08612	10.2
109.06547	1.4
109.10143	4.7
115.05449	2.8
116.75047	1.0
117.07030	40.2
119.08593	47.2
121.10159	9.3
123.11694	1.2
125.27052	0.8
125.30530	0.8
128.06229	3.8
129.01840	1.5
129.07019	17.3
130.07828	1.4
131.08578	37.2
133.10143	36.7
135.08147	1.3
135.11693	4.4
142.07785	3.6
143.08577	19.8
145.10136	33.0
145.11296	1.6
147.11702	27.1
149.09732	0.9
149.13271	2.5
156.09383	1.4
157.10150	15.2
159.11710	47.8
161.13263	24.2
163.03867	0.9
163.11195	1.5
163.14830	1.5
171.11714	19.2
173.13275	29.0
175.14839	7.4
185.13277	22.7
187.14766	1.3
188.12012	1.0
189.12770	1.0
189.16350	1.6
199.14847	12.8
203.14372	1.3
213.16399	4.1
215.18076	1.1
231.17271	0.9
231.21111	3.0
241.19531	29.8
242.19766	0.9
255.26254	0.9
259.20596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2059
Annotation	Bactacine
Peak:m/z	Relative Intensity
53.64254	0.5
55.01863	0.9
55.05518	3.2
57.07083	3.1
65.03929	0.9
67.05226	0.5
67.05511	5.7
69.03415	0.7
69.06780	0.5
69.07072	6.5
71.04976	1.9
71.56256	0.7
79.05495	4.0
81.07062	27.0
83.04980	0.6
83.08611	1.9
85.06544	1.1
89.45018	0.5
91.05476	5.0
93.07061	6.9
95.04964	2.3
95.08610	15.4
97.06520	1.3
97.10165	0.5
105.03369	2.3
105.06385	0.7
105.07035	8.7
107.08601	7.1
109.06513	3.6
109.10164	6.9
111.08028	1.4
111.11745	0.8
115.05447	0.5
116.06236	0.5
117.07022	4.8
119.08591	13.6
121.06481	0.6
121.10143	5.9
123.08041	1.6
123.11714	55.5
128.06190	1.2
129.01825	1.1
129.07004	2.2
131.08572	6.0
133.10124	6.8
135.08064	9.3
135.11685	1.6
137.09634	9.9
139.11142	0.8
141.07021	0.8
142.07770	1.3
143.08615	2.9
145.10129	12.2
147.04451	0.6
147.08000	0.8
147.11694	5.9
149.09645	3.1
149.13261	0.9
156.09328	1.3
157.10143	4.7
159.11702	8.6
160.12361	0.5
161.09653	1.5
161.13264	2.9
163.11208	1.7
163.14857	0.8
165.12773	1.4
170.10995	0.6
171.11681	4.4
173.13243	3.8
175.11174	1.5
175.14839	4.7
177.12767	0.6
177.16350	0.5
177.85873	0.5
179.14252	0.6
181.06549	0.8
185.13268	4.3
187.14771	0.9
189.12755	2.4
189.16313	1.1
190.13454	0.7
191.14282	1.4
199.14783	2.7
201.16409	6.8
203.14313	2.1
213.16368	0.7
215.17921	1.6
217.19533	0.8
241.19531	6.8
244.12540	0.5
259.20587	100.0
260.20898	1.8
284.19141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98109	0.6
56.05034	3.9
57.01719	0.6
67.05501	1.7
70.00510	2.6
70.06579	1.6
72.08163	2.2
74.02444	87.5
84.04507	100.0
84.08144	5.4
85.02914	2.5
86.09713	2.4
89.03938	0.7
95.05001	1.0
96.08120	0.9
98.21463	0.8
100.02219	0.8
102.05565	2.9
102.09194	3.3
103.43479	0.7
105.36553	0.6
107.04896	0.8
113.06007	4.0
118.74603	0.7
122.09705	1.1
124.07636	1.2
126.59619	0.7
127.05039	1.0
127.16916	0.7
130.05011	42.9
130.08646	54.7
134.81667	0.6
138.09148	0.7
140.03392	1.1
141.07057	0.9
142.83640	0.6
150.09151	13.7
161.06042	1.0
168.10246	0.8
169.08652	2.4
173.07147	0.7
185.06032	0.8
189.05508	0.8
196.09712	22.8
213.05406	5.8
215.06975	0.9
231.06506	1.1
241.11833	1.9
242.10184	7.5
259.06046	2.0
259.12927	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03937	1.5
55.01866	1.9
55.05513	9.5
57.03434	1.5
57.07075	7.0
58.06592	0.7
58.07398	0.6
62.06075	2.2
65.03916	0.7
67.05507	19.0
69.03448	0.5
69.07071	8.1
71.04990	2.9
71.08639	7.1
71.55485	0.7
72.08159	1.0
79.05064	1.2
79.05495	17.8
81.07061	19.5
83.04975	1.3
83.08629	5.1
85.06521	2.4
87.94482	0.6
88.43294	0.5
88.92550	0.6
91.05483	41.2
93.07044	17.6
95.04961	2.2
95.08055	1.1
95.08613	13.4
97.06535	7.7
97.10167	1.8
99.08101	4.5
101.06012	0.7
103.05445	1.3
105.07031	58.0
107.04935	1.9
107.08607	8.5
109.06489	1.3
109.08975	0.6
109.10150	4.5
111.08058	1.9
115.05444	2.7
117.07019	18.6
119.08583	32.4
121.06519	1.5
121.10144	6.6
123.08083	1.9
123.11704	1.4
125.09644	0.6
128.06236	2.8
128.45451	0.5
129.07014	12.1
130.07779	1.4
131.08575	18.9
132.09354	0.6
133.06477	1.2
133.10135	25.7
135.08040	2.7
135.11671	5.0
137.09612	0.9
141.06949	1.2
142.07805	2.3
143.07500	0.9
143.08572	16.6
145.09050	1.4
145.10130	19.3
146.10806	0.7
147.08044	1.8
147.11693	24.7
149.09647	1.6
149.13326	3.1
151.11154	1.5
155.08620	0.8
156.09326	0.7
157.10146	11.0
159.11702	14.8
161.09599	1.7
161.13260	24.5
163.03935	1.9
163.11180	2.7
165.12794	1.0
169.10155	0.6
170.10867	0.8
171.11688	12.5
173.02348	2.1
173.13268	11.6
175.11209	3.8
175.14859	8.8
177.12747	1.7
183.11597	0.8
185.13274	12.5
187.14830	2.3
189.05554	0.6
189.12752	3.3
189.16393	1.4
191.14235	0.8
198.14125	0.7
199.14819	9.2
199.82851	0.6
201.16382	1.1
203.14326	2.0
213.16406	2.3
215.07050	2.6
215.17981	1.4
217.15889	1.2
231.17479	0.8
231.20975	3.4
241.19524	25.1
241.27216	0.7
244.12616	0.9
259.09702	1.4
259.20578	100.0
259.28226	22.9
260.20776	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.95553	0.4
51.02361	0.6
53.03944	1.2
55.01876	2.2
55.05271	0.6
55.05513	9.3
57.03440	2.3
57.07077	2.4
64.41123	0.4
65.03933	1.1
67.05509	19.8
69.03415	0.5
69.07069	11.0
69.83719	1.0
69.84126	1.2
70.06588	0.5
71.05000	2.1
71.08643	0.7
72.08149	0.4
77.03943	0.5
79.05496	19.8
81.07059	17.9
83.04973	1.2
83.08630	2.0
84.08171	0.4
85.06537	2.9
89.03918	0.9
91.05482	37.3
93.07044	16.8
95.04967	2.8
95.08611	12.8
97.02872	0.7
97.06535	19.6
97.10139	1.0
99.08079	1.6
100.72225	0.4
103.05461	1.4
105.03362	0.7
105.07034	51.1
107.04970	0.9
107.08596	9.5
109.06517	1.0
109.10152	5.5
111.08049	1.3
113.09637	0.7
115.05430	1.9
116.06219	0.5
117.03344	1.2
117.07017	14.2
118.05426	0.4
119.04934	0.6
119.08582	37.3
121.06509	1.0
121.09327	0.5
121.10146	6.3
123.08071	0.8
123.11705	0.9
125.09628	0.5
128.06190	2.0
129.06154	0.7
129.07013	8.7
130.07770	1.2
130.31781	0.4
131.08569	18.5
132.09341	0.4
133.02875	1.1
133.06470	0.8
133.10133	29.6
135.04427	1.8
135.08057	1.1
135.11699	3.7
137.09601	0.8
139.11171	0.6
141.07025	1.2
142.07799	1.9
143.07469	0.8
143.08566	9.3
144.09320	0.5
145.02821	1.3
145.06468	0.4
145.10133	15.9
146.10898	0.7
147.04420	1.9
147.08026	2.0
147.11693	24.6
149.09698	0.9
149.13234	2.8
151.11147	0.7
155.08569	0.6
156.09337	0.9
157.06410	0.5
157.10127	8.8
159.04451	1.0
159.11699	13.8
161.02318	2.3
161.09619	1.5
161.13268	16.3
163.03920	8.3
163.11197	1.1
163.14836	0.8
165.12788	0.7
169.06439	0.5
169.10233	1.0
170.10905	1.0
171.11696	11.7
172.12483	0.5
173.02344	7.3
173.06053	0.5
173.13272	7.1
175.03886	0.7
175.11186	1.2
175.14850	8.8
177.12750	1.1
183.11713	0.5
184.12547	0.5
185.13271	9.4
187.03845	0.4
187.07535	0.4
187.14815	1.9
187.69424	0.5
189.12747	1.8
189.16328	0.8
191.03366	0.6
199.14832	7.6
201.16354	1.8
203.14365	1.2
203.17915	0.5
213.12674	0.4
213.16324	1.9
215.07027	8.1
215.17960	1.8
217.04909	3.6
217.15857	1.0
231.06505	0.6
231.17471	0.6
231.21042	2.6
241.19502	17.7
259.09674	6.5
259.20578	100.0
260.20929	1.5
260.25751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74796	3.1
51.97573	3.6
55.01860	9.5
55.05516	5.7
56.05037	5.7
57.03431	4.2
58.92577	2.7
61.02925	3.1
67.05496	7.5
67.42919	2.7
69.03431	16.7
69.07063	5.6
70.01114	14.2
70.06593	13.3
70.95840	2.9
71.01347	3.3
71.04961	4.5
72.08154	18.7
73.02888	3.9
79.05495	5.4
80.05017	4.0
81.03407	8.0
81.04559	34.7
81.07063	12.1
82.06575	11.1
83.06102	6.9
84.04498	11.4
84.08158	23.3
85.02899	11.1
86.09702	10.6
87.04462	3.2
89.03916	6.9
91.05485	9.5
95.01312	9.2
95.04972	5.3
95.06091	27.3
97.02888	24.8
98.06010	4.7
99.04482	6.0
100.07613	37.0
105.07041	5.6
107.04968	6.0
111.05552	17.9
115.05463	16.1
117.03369	7.0
119.08591	4.3
121.06515	3.5
123.04431	5.7
124.38090	3.1
125.07124	32.7
127.03922	15.2
128.06213	8.8
129.05428	3.3
129.07030	16.9
129.10214	6.1
131.04881	4.2
133.06526	5.8
135.04402	28.3
138.05472	11.1
139.05408	9.5
141.06970	23.8
143.04919	10.9
143.08148	25.3
145.06494	4.8
147.04408	7.8
157.06506	21.5
159.08018	6.8
161.05981	40.1
163.03914	20.2
167.04901	9.7
169.06544	25.6
171.04373	9.1
173.05956	8.3
175.03944	4.4
175.07513	10.6
185.05997	27.3
187.03903	6.1
187.07506	10.7
189.05487	29.6
191.03482	4.0
195.07870	3.6
197.05948	13.2
198.06743	3.4
199.03877	3.3
200.04698	21.9
201.05478	6.2
203.06984	13.1
209.12979	4.0
213.05463	100.0
213.08900	7.3
213.15977	4.5
215.07034	30.9
217.04926	17.2
231.06526	68.8
234.98953	3.6
241.05006	17.9
241.08917	6.7
241.15482	24.5
259.03964	93.5
259.06302	19.2
259.09772	13.7
259.13751	4.2
259.16574	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05008	0.9
56.96566	2.4
57.03422	0.5
58.99558	0.7
67.04247	3.2
67.05490	0.5
68.05018	0.5
68.33434	0.4
69.03402	0.9
70.06581	1.2
70.31009	1.4
70.98109	0.9
72.01752	0.4
72.08127	1.4
72.79140	0.5
73.01147	0.6
74.00670	8.0
74.02423	2.0
84.04512	4.2
84.08144	7.9
85.02892	0.9
85.04829	0.7
85.08479	4.1
86.09690	0.9
87.04446	0.5
89.03902	0.5
96.08184	0.5
97.02884	1.0
98.97581	1.6
99.54236	0.5
100.02207	96.8
101.02511	0.7
110.05984	0.5
112.07572	0.6
116.98613	0.9
118.03245	4.7
120.01202	0.6
128.07140	0.5
129.10243	5.0
130.05017	1.7
130.08644	1.8
130.10634	5.3
134.85431	0.4
135.04337	0.6
140.05360	0.5
143.00188	0.9
146.02713	100.0
157.07751	0.6
158.99669	0.7
161.01219	0.8
172.05244	0.8
173.01166	0.5
177.00757	0.8
187.07507	2.2
191.02448	0.5
201.05649	0.4
213.06969	23.9
216.04305	0.5
231.02951	2.6
235.01363	1.2
241.13635	0.6
259.07645	22.5
259.10101	2.0
259.13159	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	2.9
67.05505	2.3
70.10070	1.5
72.08195	0.7
72.82115	0.7
74.02447	100.0
75.85571	0.7
83.06088	1.4
83.38095	0.7
84.04510	95.9
84.08147	3.4
85.02912	2.6
86.09702	1.2
95.04977	2.1
98.20774	0.9
99.16541	0.6
99.19033	0.8
102.05558	3.6
113.06023	4.4
118.96134	0.6
120.78215	0.8
122.09704	1.3
130.05014	42.6
130.08647	44.4
135.04424	1.4
136.99153	0.8
140.03491	0.9
150.09157	19.8
157.06419	0.8
162.40211	0.8
168.10297	0.8
169.08591	2.1
196.09694	16.9
201.66350	0.7
213.05484	9.1
215.06967	1.4
217.04895	0.8
231.06613	1.6
241.11844	1.4
242.10283	6.8
259.06009	1.7
259.12921	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.12656	0.8
53.03938	1.3
55.01868	1.6
55.05519	11.4
57.03437	2.3
57.07079	1.8
59.04988	0.8
60.08154	1.0
65.03930	1.3
67.05173	1.4
67.05508	21.1
69.07076	6.3
69.62280	5.7
79.05498	11.1
81.07064	14.8
83.04985	1.2
83.08606	3.8
85.06553	1.3
91.05486	20.4
93.07057	9.4
95.04949	1.2
95.08049	1.2
95.08607	12.3
97.06535	1.9
97.10165	0.9
98.20718	0.9
103.05487	1.2
104.71120	0.8
105.07032	18.5
107.04933	1.5
107.08622	5.3
109.06539	2.0
109.10177	8.0
115.05452	2.7
116.06229	1.8
116.14160	0.7
117.07025	25.9
119.08579	11.3
121.10136	4.6
123.08076	1.0
125.09609	1.3
128.06233	5.7
129.07025	15.8
130.07823	4.7
131.04875	1.0
131.08578	52.4
133.06487	3.5
133.10126	10.3
134.76216	0.9
135.08046	1.8
135.11638	1.6
137.09618	1.3
141.06967	5.7
142.07791	5.2
143.08565	22.7
144.09355	1.0
145.06535	5.8
145.10132	94.5
147.08060	1.9
147.11699	8.9
149.09651	1.8
149.13304	1.0
154.07811	1.5
155.08563	9.0
156.09334	2.0
157.10139	17.1
158.10835	1.1
159.08060	2.0
159.11702	26.4
161.09627	3.2
161.13283	3.0
163.11230	1.3
167.08484	0.9
168.09325	1.6
169.10141	10.9
171.11697	22.2
173.09642	2.2
173.13275	11.8
175.11200	2.9
177.12810	1.3
182.79930	0.8
183.11710	14.7
183.58496	0.8
185.13257	6.3
187.11206	11.1
187.14832	3.0
189.12726	2.2
197.13292	12.3
199.14835	3.5
201.12677	1.9
201.16296	1.1
211.14824	4.3
213.16382	3.2
215.14362	2.1
215.22395	0.8
229.16040	1.1
229.19525	16.1
239.17952	22.1
257.19019	100.0
257.30237	5.7
258.19351	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
53.03940	1.5
55.01876	1.4
55.05518	12.6
57.03433	2.7
57.07074	1.8
59.70192	0.7
65.03942	1.4
66.00257	0.6
67.05511	25.9
69.03416	1.5
69.06756	0.9
69.07072	7.2
71.04986	2.9
71.55145	0.8
72.08154	0.8
79.05495	12.0
80.57094	0.6
81.07066	20.4
83.04990	5.9
83.08614	4.9
85.02929	1.1
85.06525	3.6
91.05488	22.0
93.07045	12.8
95.04967	3.3
95.08613	18.7
97.02835	1.0
97.06536	3.2
97.10155	1.8
103.05454	1.3
105.07039	20.2
107.04955	1.4
107.08605	9.1
109.06523	2.1
109.10165	7.0
111.04462	1.4
111.08083	1.9
115.05447	3.3
116.06242	3.0
117.07027	31.7
119.08598	14.9
121.06496	2.1
121.10162	6.3
123.08054	1.6
123.11736	1.6
125.09651	1.7
125.82861	0.9
128.06242	6.3
129.07019	18.9
130.07808	5.3
131.08575	60.2
133.06483	3.4
133.10150	11.4
135.08055	2.0
135.11697	2.9
137.09660	2.1
141.07007	8.5
142.07788	5.2
143.08572	23.6
144.09335	2.1
145.06500	4.6
145.10133	87.3
147.08073	3.8
147.11688	8.4
149.09608	2.6
149.13197	1.0
151.11229	0.9
153.05496	1.3
153.06964	1.0
154.07777	2.6
155.08557	10.8
156.09341	2.7
157.10149	22.4
158.10757	0.7
159.08083	3.7
159.11710	32.2
159.13037	1.7
161.09657	6.0
161.13266	3.1
163.11243	1.3
165.12804	1.2
167.08577	2.4
168.09341	2.8
169.10129	15.5
171.11707	24.5
173.09612	5.8
173.13280	14.9
175.11165	5.5
175.14867	2.2
177.12810	1.2
181.10158	1.5
182.10936	2.3
183.08197	0.9
183.11710	17.8
183.13220	1.4
184.12488	1.0
185.13255	7.9
187.11195	7.5
187.14856	2.9
189.12807	2.6
195.11714	1.7
196.12511	1.3
197.13271	15.6
198.13998	0.8
199.14839	5.9
201.12805	3.3
201.16492	1.5
209.13239	1.1
210.14078	1.2
211.14790	4.5
213.16420	4.8
215.14413	3.6
215.17926	4.3
221.68988	0.7
229.15837	1.1
229.19531	4.8
239.17964	31.6
243.31239	0.7
257.08173	2.1
257.11646	4.1
257.19043	100.0
257.22464	3.9
258.19467	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1451
Annotation	H-ALA-ALA-PRO-OH
Peak:m/z	Relative Intensity
51.69183	0.4
55.05514	0.5
56.05040	2.5
56.96561	1.4
59.83260	0.4
61.02932	0.8
69.03436	1.7
69.07098	0.5
70.06601	1.7
70.43265	0.8
72.08148	0.7
74.00658	0.5
74.02460	0.5
80.05019	0.7
81.00756	0.4
81.04543	0.8
82.06577	0.7
83.06100	0.7
84.04514	21.6
84.08150	87.2
85.02903	1.0
86.09724	0.9
95.04964	0.4
95.06100	0.7
97.02886	2.1
98.97597	1.4
100.02206	8.0
100.59355	0.4
101.10779	1.8
108.04471	1.0
108.19791	0.4
110.07172	1.3
111.09233	1.3
112.07593	0.6
116.98712	0.4
119.01836	0.4
126.05531	3.0
128.07133	0.6
129.10249	100.0
130.05014	5.7
130.10600	0.8
140.96051	0.4
146.02711	7.3
147.04335	0.6
149.91338	0.4
155.04712	0.6
158.99722	0.4
167.11928	0.4
175.63052	0.4
194.12950	0.6
195.11288	3.2
212.10414	0.5
212.13911	1.0
213.06960	1.8
223.10892	0.7
234.99081	1.0
240.08594	0.9
240.13438	3.7
241.11798	1.1
253.83228	0.4
258.09784	5.9
258.14490	5.8
258.18127	1.3
259.07648	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05517	9.2
57.03422	3.5
57.07069	1.5
67.05178	1.6
67.05509	25.0
67.05865	1.2
69.03395	1.0
69.07066	5.7
69.75922	1.0
69.98631	1.6
69.99053	4.3
71.04987	2.7
75.61729	1.3
79.05498	13.2
81.07061	17.9
81.24107	1.0
83.04981	1.2
83.08625	3.8
85.06533	3.2
91.05488	18.5
93.07039	11.2
95.04966	2.2
95.08608	13.8
97.06544	1.5
97.10155	2.6
103.05457	1.3
105.07036	16.9
107.08578	5.8
109.06517	2.7
109.10149	9.3
111.08096	1.2
115.05437	3.7
116.06224	2.3
117.07028	29.6
119.08583	15.4
121.10164	7.9
123.08081	2.2
128.06219	4.6
129.07010	18.9
130.07793	4.3
131.08577	51.5
133.06499	2.6
133.10152	11.7
135.08067	2.8
135.11655	1.5
137.09628	2.0
141.06973	6.0
142.07784	4.6
143.08571	21.0
144.09308	1.8
145.06506	2.0
145.10127	67.1
147.08061	2.5
147.11743	5.8
149.09642	2.9
154.07767	2.5
155.08565	9.8
156.09390	2.3
157.10144	27.2
158.10930	1.5
159.08093	3.6
159.11697	35.5
161.09625	4.7
161.13148	2.4
163.11227	1.9
164.34821	1.2
168.09375	2.7
169.10121	17.0
170.10861	1.7
171.11699	23.1
172.12289	1.3
173.09627	4.4
173.11778	1.9
173.13251	18.8
174.14050	1.7
175.11159	5.7
177.12946	1.3
182.10910	1.7
183.11720	15.8
183.51813	1.2
184.12456	1.7
185.13283	10.6
187.11197	4.5
187.14868	2.9
189.12770	2.2
197.13278	15.1
199.14842	8.3
201.12733	5.3
201.16360	1.2
210.14044	1.6
211.14827	4.8
213.16425	6.1
215.14400	1.7
215.17894	2.7
229.15994	1.3
229.19530	5.1
236.35788	1.4
239.17946	29.5
257.19028	100.0
258.19519	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01865	1.1
55.05515	9.4
57.03429	3.3
57.07072	1.5
58.84011	0.6
59.04988	1.1
63.33764	0.5
65.03929	0.8
67.05509	26.0
69.07078	3.9
70.94322	1.9
71.04997	1.8
79.05502	5.7
81.07059	15.5
83.08629	2.0
85.06535	1.4
91.04966	1.2
91.05486	14.8
93.07062	3.2
95.04982	1.4
95.08613	8.2
97.06521	1.2
102.94938	0.6
105.07034	14.6
107.04935	1.0
107.08597	2.6
109.10180	4.0
111.08116	0.8
115.05457	1.8
116.06242	2.7
117.07024	12.7
119.08586	4.9
121.06543	0.8
121.10135	2.4
128.06235	6.2
129.07007	10.5
130.07788	5.0
131.08575	100.0
132.08865	0.8
133.06424	1.1
133.10121	3.5
135.08153	0.9
135.11684	0.9
141.06996	4.0
142.07803	4.5
143.08566	24.1
144.09431	0.9
145.06512	3.7
145.10130	75.1
147.08035	1.1
147.11655	4.2
154.07745	1.4
155.08553	8.1
156.09251	0.8
157.10130	14.1
159.08066	1.9
159.11710	12.7
161.09566	1.5
161.13234	1.5
165.12827	3.3
168.09335	1.3
169.10141	9.8
171.11696	14.3
173.09663	1.1
173.13272	2.6
175.11166	2.1
182.10826	0.8
183.11711	11.2
184.12314	0.8
185.13313	3.7
187.11194	9.1
187.14841	0.8
189.12700	1.1
197.13269	9.4
201.12709	1.7
208.49010	0.6
210.33553	0.7
211.14838	1.6
213.16370	1.3
215.14307	3.1
215.17998	0.8
218.29868	0.6
220.48935	0.6
229.19539	1.6
239.17964	12.4
248.62680	0.7
257.19022	57.7
257.30273	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05500	4.4
59.46706	1.5
67.05499	6.1
69.07061	4.7
70.95169	2.3
70.95490	2.3
71.04990	3.9
79.05498	7.7
80.01826	1.5
81.07053	5.2
83.04983	1.7
83.08617	2.6
85.06564	2.5
91.05482	10.7
93.07060	15.5
95.04964	3.6
95.08606	11.4
105.07037	20.3
107.08607	17.8
109.06516	5.8
109.10165	9.0
111.08053	2.6
112.06805	1.3
117.06985	5.0
117.80740	1.6
119.08581	17.4
121.06527	1.7
121.10150	73.6
123.08051	4.5
123.11704	2.8
128.06218	2.4
129.06995	5.6
131.08569	12.4
133.10152	10.3
135.08049	15.9
135.11679	4.7
137.09613	6.3
141.06935	1.8
142.07793	4.9
143.08577	17.0
144.09415	3.5
145.10123	19.0
147.11684	5.4
149.09595	5.2
155.08528	4.7
156.09297	3.8
157.10127	23.8
158.10936	3.9
159.08049	1.8
159.11711	20.1
161.13315	2.3
163.11183	5.4
168.09398	2.2
169.10170	10.4
170.10861	2.3
171.11690	13.4
173.09673	2.9
173.13252	22.0
174.14000	2.1
175.11229	2.8
175.14804	3.5
177.12778	2.2
183.11717	10.7
184.12534	2.2
185.13277	2.8
187.11218	5.8
187.14848	4.5
189.12746	2.7
196.12402	1.8
197.13293	10.4
199.14832	34.2
201.12785	7.8
209.13258	2.0
211.14897	1.9
213.16412	13.5
214.17140	1.9
215.14380	2.6
215.17903	8.5
239.17947	15.8
257.19028	100.0
257.26553	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	5.9
57.03438	2.0
57.07065	1.3
65.03924	1.2
67.05175	1.5
67.05509	21.3
69.07076	7.3
69.92616	5.6
71.04997	3.1
72.24870	1.3
79.05496	9.7
81.07059	12.8
83.04973	2.0
83.08621	2.7
91.05480	14.7
93.07037	14.5
95.04946	4.3
95.08596	12.8
97.06509	1.9
103.05491	1.7
105.07034	25.6
107.08595	13.4
109.06500	4.3
109.10153	10.5
111.08074	2.6
115.05402	2.1
117.07021	23.8
119.08590	20.4
121.06510	1.8
121.10149	59.2
123.08064	3.6
123.11693	1.7
128.06229	5.7
129.07024	16.9
130.07820	3.3
131.08572	48.0
133.06540	1.5
133.07581	2.1
133.10115	13.0
135.08060	9.9
135.11687	3.9
137.09613	3.0
141.07039	7.2
141.07973	1.2
142.07788	5.3
143.08557	23.4
143.09666	1.6
143.17966	1.5
144.09314	1.7
145.10127	58.1
147.11659	4.1
149.09616	4.2
149.13278	2.4
155.08569	9.9
156.09349	2.4
157.10136	23.3
158.10892	2.3
158.19292	1.1
159.08069	3.3
159.11699	26.6
161.09575	2.9
161.13254	2.5
163.11214	2.9
167.08592	1.8
168.09322	1.3
169.10153	16.8
170.10899	1.2
171.11690	21.7
173.09633	3.7
173.13255	19.0
175.11188	4.2
183.11694	19.7
184.12488	1.9
185.13271	4.6
187.11201	3.9
187.14848	2.8
196.12630	1.5
197.13260	12.0
199.14821	23.1
201.12679	3.9
201.16483	1.3
211.14874	3.4
213.16464	6.3
215.14473	1.5
215.17917	4.7
229.19531	2.6
239.17941	24.5
257.19016	100.0
257.22568	6.5
257.26569	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	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05518	8.6
57.03439	14.3
67.05505	16.4
69.07053	5.3
70.95573	3.5
72.02795	1.5
79.05505	8.1
81.07055	12.7
83.08611	3.9
85.06553	1.9
91.05488	13.6
93.07068	9.9
95.08619	10.4
97.06519	2.1
99.08095	2.9
102.72729	1.4
105.07038	21.2
105.75636	1.6
107.08595	6.1
109.06504	3.2
109.10165	3.5
115.05464	4.5
116.06231	1.7
116.07253	1.4
116.74973	1.7
117.07021	34.6
119.08587	12.6
121.10150	2.5
128.06210	6.9
129.07005	28.8
130.07805	4.0
131.08574	37.3
133.10167	7.7
141.06999	4.8
142.07800	4.7
143.08566	24.3
144.09357	3.4
145.10133	58.9
147.08018	1.9
147.11693	5.1
148.97664	1.5
149.09616	2.1
155.08533	6.8
157.10143	25.3
159.11700	35.6
161.09575	4.5
161.13333	1.6
169.10168	11.1
171.11693	12.6
173.13329	13.4
175.11238	3.7
183.11702	15.8
185.13275	76.4
187.11163	3.0
197.13193	10.5
199.14799	3.1
201.16431	7.3
211.14824	3.7
229.19586	5.6
239.17967	27.6
257.19019	100.0
257.26614	2.9
269.93643	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01864	4.4
55.05263	2.3
55.05514	32.1
57.03440	54.1
57.07071	5.9
65.03934	2.4
67.05509	88.6
69.03417	4.2
69.06728	1.9
69.07076	26.8
69.79540	8.6
71.01352	6.5
71.05002	9.2
79.05499	86.7
81.03427	11.2
81.07062	48.5
83.04988	30.7
83.08628	9.0
85.02920	2.2
85.06524	7.5
91.05486	36.6
93.07050	92.1
95.04969	10.0
95.08623	17.0
97.06541	27.2
97.10175	16.6
98.98470	44.9
99.04425	2.2
99.08118	3.2
100.98859	2.0
105.04491	1.8
105.07044	9.4
107.04961	3.9
107.08601	61.3
109.02881	5.6
109.06553	3.4
109.10155	9.5
111.04453	2.8
111.08075	3.5
116.69933	1.7
117.07024	8.8
119.08586	15.9
119.40440	1.6
121.06492	3.4
121.10160	15.8
125.09648	4.8
127.03944	1.9
128.06215	3.4
129.07045	3.1
131.08586	2.7
133.10124	7.4
135.08070	3.4
135.11703	100.0
135.29143	1.3
136.12035	2.3
137.09628	4.3
143.08577	6.7
145.10138	22.4
153.07045	1.9
153.12747	2.7
155.08582	2.0
156.09396	2.0
157.10101	4.1
159.08031	1.7
159.11717	3.0
163.11177	15.1
167.08603	1.8
169.10159	2.9
171.11685	5.4
181.12238	16.7
183.11731	3.3
185.13287	4.3
195.11819	2.8
197.13245	3.5
211.14740	1.9
213.16400	2.0
237.16405	3.3
255.06451	5.3
255.10304	3.5
255.15672	55.9
255.20909	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	256.064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
56.96569	0.8
59.96744	1.4
65.03951	1.8
66.26861	0.9
67.05515	5.3
69.03437	1.2
69.07059	1.4
69.43774	2.8
69.44186	3.6
70.06255	0.9
70.06596	13.4
71.04988	1.7
71.99111	31.4
72.08163	8.1
74.00669	5.7
74.02438	4.2
79.03439	0.9
79.05498	5.9
81.03417	2.7
81.07063	1.1
84.04506	2.9
84.08133	2.8
85.02917	1.2
86.09724	5.2
86.33843	1.0
90.00143	1.5
91.05460	1.8
94.06582	1.0
95.04978	16.9
96.08133	1.5
97.01199	1.1
97.02895	1.2
103.05486	1.1
106.06545	5.9
107.04981	7.6
108.05730	1.6
108.55014	1.0
109.01105	1.1
109.02893	16.6
109.06496	1.4
110.03654	1.8
110.07149	3.5
111.04436	1.1
116.07085	2.1
117.05751	2.8
117.99615	87.1
121.06470	1.1
122.07267	1.0
123.02676	10.8
123.04439	51.3
124.03949	2.4
124.05196	1.7
124.07583	3.1
125.06007	3.4
125.07082	0.9
126.01125	1.0
128.98581	1.0
134.06012	1.6
137.05992	7.3
138.05684	2.1
138.06772	37.8
139.07532	3.6
141.03677	1.8
141.10211	2.0
147.04390	3.4
147.06793	1.2
149.00543	2.0
149.02798	1.1
149.05997	1.4
150.01375	1.5
150.02556	1.9
150.03746	38.1
151.02100	2.8
154.00896	1.7
155.01627	8.9
155.05251	1.4
156.07718	1.9
157.07648	1.1
162.05499	2.1
163.02124	3.3
163.06290	1.1
165.03584	1.8
166.03180	1.2
167.01616	1.5
167.07161	1.0
168.02434	11.9
169.03201	19.2
170.03998	1.4
176.07088	3.6
177.07866	2.6
178.03235	100.0
179.01605	1.7
179.03998	11.0
180.01128	4.8
180.02464	2.9
180.04828	2.2
182.09653	1.8
183.04768	28.1
193.03198	3.4
193.08635	3.5
195.01994	0.7
195.03482	18.5
195.05084	1.3
196.09920	0.8
197.12889	1.2
206.02693	4.7
207.03505	1.6
210.05858	53.3
210.11282	1.5
210.16040	2.7
223.02963	1.2
227.03810	5.8
238.05327	8.8
238.18010	3.7
239.18251	1.1
256.06393	42.1
256.11987	1.6
256.16745	1.1
256.19101	16.7
256.26328	3.9
264.42889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36374	1.6
53.03942	8.2
55.01878	5.4
55.05511	30.8
55.05777	1.0
55.20504	1.5
57.03440	50.2
57.07065	5.1
59.80634	1.5
64.44459	1.6
67.05508	88.1
67.32259	1.6
69.03440	4.6
69.07069	26.6
69.21683	8.6
69.22105	7.5
71.01357	5.2
71.05000	9.8
72.08143	1.7
79.05497	80.4
81.03423	17.4
81.07058	45.4
83.04984	26.3
83.08604	8.6
85.06548	7.0
89.20892	1.4
91.05482	40.4
91.06018	3.4
93.07050	93.3
95.04990	12.7
95.08606	19.1
97.02921	1.6
97.06536	25.2
97.10175	17.4
98.98471	35.2
99.04503	2.3
99.08093	6.2
105.07031	10.7
107.04958	4.8
107.07866	3.6
107.08600	61.2
109.02906	3.3
109.06496	3.9
109.10172	14.2
111.04437	4.3
111.08074	2.3
117.07012	9.9
119.08594	14.5
121.06509	4.2
121.10155	13.1
125.09633	5.8
127.03942	2.2
128.06175	1.7
129.07034	3.5
131.08609	2.2
133.10153	8.3
135.08075	5.4
135.11697	100.0
137.09650	3.0
143.08585	4.7
145.06512	2.0
145.10126	20.5
153.12752	3.3
155.08588	1.9
156.09355	1.7
157.10150	5.8
159.11711	3.6
161.13231	2.1
163.11197	14.7
169.10144	2.6
171.11720	6.0
181.10120	3.0
181.12245	15.6
183.11781	2.4
185.09660	1.7
185.13321	3.1
195.11769	2.9
197.13300	4.4
199.11205	2.2
213.16373	3.6
237.16420	3.4
255.06575	4.3
255.10323	5.3
255.15666	54.9
255.21063	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91507	1.5
53.03945	5.7
55.01867	4.6
55.05513	30.5
56.38270	1.7
57.03441	54.4
57.07073	7.0
65.03942	4.5
67.05510	89.0
69.03424	2.4
69.07071	28.1
69.28465	11.2
69.28897	4.5
70.06598	1.9
71.01356	5.7
71.05010	8.9
79.05499	76.1
81.03420	13.9
81.06577	2.8
81.07063	43.2
83.04496	1.8
83.04984	32.8
83.08617	10.9
85.02882	2.8
85.06548	6.4
91.05489	34.8
93.07053	82.7
95.04993	8.2
95.08604	13.1
97.02874	2.3
97.06534	23.9
97.10174	18.1
98.98472	42.3
99.04438	2.8
99.08106	3.9
100.98893	2.9
105.07037	8.9
107.04971	3.3
107.08604	54.3
109.02921	2.1
109.06491	3.7
109.10159	11.4
111.04471	3.9
111.08079	4.2
115.05492	1.9
117.07005	9.8
119.08595	12.9
121.06548	5.6
121.10128	14.1
125.02411	1.7
125.09647	4.4
127.03952	2.2
130.07819	2.9
133.10146	8.0
135.08075	4.0
135.11702	100.0
136.12039	1.6
137.09660	3.1
143.08560	3.2
145.10141	18.4
153.12784	3.0
157.10149	2.9
159.11618	3.0
163.11186	13.7
167.08482	1.7
171.11647	4.0
176.99004	2.0
181.08673	2.0
181.12239	15.9
183.11559	1.8
185.13277	4.4
199.09676	3.7
199.14912	2.6
211.14832	1.8
251.16370	1.6
255.13719	2.3
255.15797	51.6
255.21257	11.5
255.25069	2.6
256.26373	5.4
272.76004	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58014	1.2
53.03964	5.4
55.01863	4.4
55.05269	1.8
55.05517	28.7
57.03442	52.4
57.07075	5.7
62.31296	1.1
65.03922	1.9
67.05510	86.9
67.40147	1.0
68.77796	1.0
69.03417	3.7
69.07072	29.6
70.15366	2.6
70.15759	2.5
71.01364	5.7
71.05002	8.4
79.05499	86.2
81.03432	11.2
81.07063	43.6
83.04990	27.9
83.08628	7.8
85.06547	5.9
91.05490	37.4
93.07050	89.5
95.04980	9.9
95.08610	14.5
97.02921	1.7
97.06541	25.8
97.10175	18.0
98.97858	1.9
98.98477	27.7
99.04450	2.8
99.08085	5.1
100.98853	1.9
105.07037	13.0
107.04951	3.2
107.08604	61.7
109.02875	2.3
109.06522	4.1
109.10157	11.5
110.20642	1.1
111.04430	1.8
111.08070	3.2
111.11791	1.6
115.05452	1.6
116.99477	1.2
117.07005	9.9
119.07800	1.7
119.08589	18.4
121.06513	3.9
121.10139	13.8
123.08024	2.1
125.09639	4.1
128.06242	3.0
129.07018	4.1
130.07764	1.9
131.08559	3.3
133.10126	9.1
135.08058	4.0
135.11705	100.0
136.12012	1.3
137.09583	3.0
141.07004	2.3
142.07788	3.2
143.08553	13.0
145.10130	22.5
147.11742	1.7
153.07092	1.6
153.12752	3.6
155.08513	5.9
156.09348	3.3
157.06459	1.4
157.10135	16.0
159.08028	1.7
159.11694	4.7
161.09618	2.5
163.11197	16.2
166.07707	1.8
167.08548	2.4
169.10132	4.6
170.10962	2.4
171.08043	1.4
171.11711	14.4
173.09669	2.2
173.13336	1.9
175.11197	1.7
179.08604	1.3
180.09329	1.4
181.10178	4.2
181.12239	17.1
182.10864	3.5
183.11757	10.2
185.09619	2.4
185.13272	6.5
187.11212	2.6
195.11705	5.8
196.12514	2.0
197.09537	1.8
197.13283	14.7
199.11230	5.7
199.13046	1.5
199.14844	5.0
207.11662	3.2
208.12502	2.0
209.13254	1.8
211.14821	4.3
212.15605	4.1
213.12723	4.6
213.16380	8.0
222.14178	2.9
227.17995	3.0
237.16432	10.9
237.18712	1.5
240.15114	1.7
255.06544	2.8
255.10289	2.5
255.15816	38.7
255.17659	29.7
255.21179	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01861	4.7
55.05512	32.7
57.03441	53.4
57.07072	4.8
65.03957	2.5
67.05509	88.7
69.03443	2.5
69.07069	27.2
69.91266	6.6
70.06597	2.3
71.01351	6.1
71.05009	7.5
79.05496	84.7
80.45515	1.2
81.03428	12.4
81.07059	44.5
83.04984	32.8
83.08613	8.4
85.02898	3.0
85.06543	6.1
91.05486	35.3
93.07049	93.3
94.76131	1.3
95.04974	11.3
95.08614	12.9
97.06541	23.7
97.10182	15.5
98.21394	2.3
98.98471	21.3
99.08092	4.5
105.04546	1.6
105.07033	11.2
107.04951	3.1
107.07866	3.1
107.08598	61.0
109.02904	1.7
109.06451	1.5
109.10141	10.1
111.04443	2.1
111.08105	3.1
114.12083	1.3
115.05445	1.6
117.07007	8.8
119.08569	12.2
121.06503	3.9
121.10135	13.4
125.09636	4.3
128.06226	2.8
129.06958	3.0
130.07742	2.2
131.08528	3.5
133.10144	7.0
135.08118	2.9
135.11697	100.0
137.09593	4.0
141.06961	2.2
142.07773	2.2
143.08554	7.9
145.10124	20.5
153.12770	3.6
155.08549	2.7
157.10170	5.1
163.11195	14.1
169.10112	3.8
171.11731	2.7
173.09639	2.5
181.12250	18.1
183.11710	4.1
185.09604	2.0
195.11604	2.1
197.13283	2.1
199.14899	2.4
228.92245	1.4
237.16405	4.2
254.90854	1.3
255.15642	52.3
255.21179	6.6
255.25157	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	255.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
55.69053	0.3
57.03439	3.3
59.04988	0.3
61.02923	1.0
65.30467	0.3
67.05578	0.3
69.03423	1.4
70.06578	0.3
71.01362	1.1
71.47224	0.4
73.02920	2.8
78.03465	1.1
80.05027	2.3
85.02895	2.2
87.04471	0.4
96.04481	0.9
97.02902	0.6
106.02920	6.0
115.03947	1.3
116.10799	0.5
119.91123	0.3
123.05558	100.0
124.03942	0.5
124.05878	0.4
133.04974	2.5
167.01457	0.3
190.02507	0.3
236.86658	0.3
255.09776	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
56.96560	0.9
57.03440	2.6
57.37605	0.4
59.04986	0.4
60.13312	0.3
61.02919	0.9
69.03428	1.5
69.43632	2.0
71.01358	0.7
72.08152	1.4
73.02920	2.8
78.03472	1.2
80.05023	2.8
84.08141	0.9
85.02907	2.5
86.09703	1.1
88.04008	0.5
96.04487	1.0
96.56025	0.3
96.64672	0.3
97.02917	0.8
98.06050	0.3
98.97588	0.4
106.02917	4.5
110.07169	1.0
115.03928	1.4
119.01944	1.1
123.05561	100.0
123.30029	0.4
124.05877	0.5
133.04945	2.7
147.12000	0.3
150.09177	1.1
163.12300	0.4
186.09811	0.6
214.09343	0.8
232.10301	1.3
255.09714	0.5
255.13345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.02377	1.3
53.03930	4.8
55.01847	4.7
55.05515	30.9
57.03439	58.3
57.07051	4.9
59.86038	1.3
65.03932	1.8
66.45882	1.3
67.05508	88.9
69.03400	4.4
69.07075	27.3
69.57162	7.4
70.06578	1.8
71.01320	6.1
71.04993	8.6
74.79045	1.5
79.05498	83.9
81.03424	13.6
81.07063	38.3
83.04987	35.3
83.08617	8.9
85.02878	1.6
85.06510	5.8
91.05481	35.4
91.31673	1.4
93.07045	87.3
95.04976	11.6
95.08598	12.6
96.98824	1.4
97.02882	3.3
97.06526	23.5
97.10168	16.9
98.97878	1.9
98.98473	34.6
99.04443	2.3
99.08075	3.1
105.04472	1.8
105.07030	8.9
107.04950	3.6
107.08598	54.2
109.02892	2.0
109.06496	3.5
109.10157	10.8
111.04416	5.5
111.08052	4.6
115.05444	1.4
117.07035	7.2
119.08605	10.4
121.06476	3.4
121.09409	1.7
121.10143	14.8
123.04420	1.6
123.07994	1.5
125.09589	3.9
129.06937	1.4
133.10124	8.4
133.77089	1.6
135.08025	4.1
135.11699	100.0
137.09575	3.6
143.08537	2.8
145.10118	19.4
153.12689	4.1
155.08620	1.9
157.10127	3.2
159.08032	1.6
163.11189	17.9
171.11705	2.1
176.98827	1.6
181.12253	14.8
195.11752	1.8
199.14743	1.7
203.95276	1.3
213.16441	1.9
255.15842	59.5
255.20911	7.9
256.26285	5.9
271.80652	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.7
55.05506	3.7
56.05044	1.5
56.96571	2.4
57.03446	2.0
60.04548	0.7
60.08169	10.6
64.29187	0.6
65.03977	0.7
68.05035	1.6
69.03423	1.9
70.06593	5.0
70.23115	2.5
72.08144	3.9
79.05491	3.2
81.04560	2.0
81.07058	14.2
82.05329	3.0
83.06105	18.3
84.08153	2.4
85.02904	1.0
91.05491	2.5
93.03410	2.6
93.04532	11.7
94.06583	1.3
95.06096	25.8
97.02911	1.3
98.06068	5.9
98.97587	2.8
98.98463	5.4
107.06091	1.9
110.07169	93.8
110.97461	0.7
111.04439	2.5
111.05563	2.8
112.07597	3.0
112.08732	2.1
116.98608	1.0
119.04963	1.5
119.06064	1.2
120.06833	0.8
120.08116	5.8
121.06529	0.7
121.07668	1.6
121.08447	4.9
122.09654	0.9
123.04455	1.8
123.05571	1.2
125.04618	1.1
125.05989	6.0
125.07074	2.1
129.10258	1.3
130.08615	1.3
146.09692	0.9
149.05995	10.7
153.04243	0.6
153.05464	12.9
156.07735	3.5
161.10838	0.8
163.02495	1.8
163.12309	46.4
167.11812	3.5
177.05414	0.9
180.05174	18.3
180.12537	2.3
181.03561	2.9
181.13310	2.2
186.04323	0.9
190.13411	18.6
193.13397	4.1
194.12892	0.9
195.06541	9.0
195.11292	18.8
204.05247	0.9
208.14459	66.4
209.12828	2.7
210.15952	1.5
212.00499	0.8
236.13908	1.9
254.09100	7.4
254.14964	100.0
265.05994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
53.03943	0.8
53.91552	0.5
55.01862	1.3
55.05514	3.1
57.03416	0.5
57.07077	1.3
66.51967	0.5
67.05510	9.2
69.03432	61.0
69.07075	3.6
71.04976	1.6
71.08128	1.2
77.01592	0.5
79.05495	5.4
81.07060	10.9
83.04976	1.3
83.08614	1.7
85.06545	1.2
91.05489	8.8
93.07041	6.7
95.04967	1.7
95.08607	7.0
96.46317	0.5
97.06553	4.5
97.10173	0.8
98.98470	100.0
99.04458	0.6
99.07998	0.6
105.07042	6.7
107.08585	4.4
109.06512	2.2
109.10165	4.4
111.08089	1.3
116.99506	2.3
117.07047	1.1
119.08576	4.3
121.06496	0.6
121.10176	3.3
123.04399	1.0
123.08070	3.6
123.11732	1.6
125.05987	0.8
125.09647	0.7
126.56627	0.6
129.06995	0.7
131.08571	2.2
133.09138	0.8
133.10135	13.8
135.11670	1.2
137.09607	1.9
140.01076	0.9
140.70609	0.6
143.08571	1.0
145.10155	0.9
147.11653	2.7
149.09679	1.1
149.13269	2.2
151.11176	5.3
155.08481	0.8
157.10168	0.7
169.10143	1.2
174.99297	1.8
175.11189	0.6
176.98946	1.3
183.11600	0.7
189.16454	1.6
197.11717	1.2
199.14783	1.5
207.17509	1.4
211.14882	1.0
217.15955	3.2
225.14919	1.3
235.14685	1.3
235.16934	12.7
253.08661	0.8
253.12172	1.1
253.14183	4.2
253.18147	1.8
256.71255	0.7
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
60.04531	3.4
61.02919	8.3
70.06606	2.6
71.01347	8.4
71.04707	3.0
71.05026	2.7
72.08149	3.2
75.04498	13.8
80.02105	2.0
83.06111	1.9
87.04453	3.5
89.02404	2.3
98.98466	9.0
103.03944	23.1
110.07172	4.2
114.79554	1.8
120.08130	3.5
121.08463	4.7
131.03413	5.6
153.05420	2.6
159.02913	50.1
166.08708	4.1
167.09082	2.7
187.02393	4.2
199.08311	2.1
210.14931	2.5
219.05025	100.0
241.65501	2.2
254.17644	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	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	7.8
69.88847	7.3
69.89257	3.8
70.06596	2.5
71.01352	7.4
72.08165	2.8
75.04485	17.6
87.04459	5.0
89.02410	3.5
98.20688	2.1
98.98462	14.6
103.03935	20.4
110.07132	2.9
131.03416	5.8
149.00574	1.9
153.05592	2.1
159.02901	54.1
172.07838	1.7
187.02390	4.4
197.06020	2.3
206.08154	1.7
208.04184	3.6
208.09714	2.8
208.14575	2.5
210.14926	4.3
219.05019	100.0
254.04767	3.2
254.17618	5.8
261.19623	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	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
56.05016	0.8
57.03436	0.9
58.62202	0.8
60.08168	87.6
65.03938	6.3
65.81188	0.9
71.27949	1.1
72.08159	1.6
79.05489	1.0
81.04507	1.0
81.07036	2.7
83.06094	2.8
84.08144	1.2
87.65537	0.8
91.05497	7.9
93.03409	22.0
93.04529	1.8
95.04969	1.3
95.06075	4.0
98.06033	1.1
98.98466	3.0
103.05490	1.9
107.04989	1.7
110.03677	1.7
110.07172	15.8
111.04449	19.5
119.04917	5.8
121.06498	3.3
125.06000	42.8
134.03651	1.3
135.04378	1.5
143.15384	0.9
149.05989	87.4
151.07539	1.7
153.05473	100.0
155.56491	0.9
163.03958	1.1
163.12283	7.0
177.05472	7.0
190.13409	3.3
193.13463	1.3
195.06538	69.9
195.11275	2.3
208.14470	10.0
209.12846	1.0
237.12315	1.0
254.13712	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
51.61187	0.4
53.89217	0.4
55.01878	0.7
55.05514	2.8
57.03437	0.9
57.07062	1.0
67.05508	6.6
69.03434	39.4
69.07064	2.2
70.90459	0.8
70.90791	0.7
71.04998	1.5
71.08627	0.5
79.05513	4.5
81.07056	10.1
83.04987	1.5
83.08624	1.4
85.33081	0.5
89.66418	0.4
91.05485	6.8
91.57225	0.4
92.19633	0.4
93.07059	4.5
95.04967	1.3
95.08617	7.1
97.06546	2.2
97.10158	1.3
98.98472	100.0
99.08115	0.6
100.98891	1.2
105.07031	4.7
107.08594	4.0
109.06531	1.9
109.10165	3.8
111.08101	1.7
116.99521	2.9
117.07036	0.5
119.08597	2.9
121.06499	1.0
121.10145	2.6
123.08067	2.3
123.11686	0.7
125.09634	0.9
127.07666	0.5
129.06947	0.5
131.08568	1.1
133.10135	7.4
135.11697	1.2
136.45964	0.4
137.09627	1.3
139.11154	0.6
140.01065	0.6
143.08560	0.6
147.11726	1.4
149.09636	1.6
149.13281	1.2
151.11206	3.0
155.08571	0.5
157.10114	1.1
159.11714	0.8
161.13286	0.8
167.70256	0.5
169.10017	0.8
173.13286	0.8
174.99236	1.4
176.98953	1.6
183.11743	0.9
189.16362	1.2
197.11705	0.8
197.13301	1.0
199.14781	1.1
207.17453	0.9
217.15930	2.0
221.15425	0.5
235.16940	9.4
253.12143	0.7
253.15958	0.9
253.17734	1.2
253.19684	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1799
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
50.41986	0.6
55.01876	1.0
55.05518	3.3
57.03432	1.0
57.07072	2.4
67.05505	9.7
67.66962	0.6
69.03432	68.6
69.07055	3.4
71.04982	1.4
71.14532	1.1
71.74640	0.6
77.26839	0.6
79.05501	5.2
81.03438	0.8
81.07055	13.5
83.04971	1.0
83.08595	1.1
85.06517	0.9
91.05494	8.9
93.07046	7.0
95.04971	1.8
95.08608	6.1
97.06535	3.3
97.10159	1.1
98.98470	100.0
99.08125	1.1
99.71765	0.7
100.98895	1.5
105.07033	6.5
107.08604	6.2
109.06535	2.5
109.10151	3.8
111.08086	0.8
113.05997	0.7
116.99506	2.3
119.08551	4.7
121.10156	3.0
123.08050	3.1
123.11712	2.3
125.09623	0.8
129.06947	0.6
131.08578	1.9
133.10136	12.0
135.11682	0.7
137.09654	2.7
140.01117	1.3
147.11729	3.1
148.66315	0.6
149.09627	2.8
149.13301	1.2
151.11201	4.6
157.10153	1.1
161.13208	0.8
174.99191	1.2
175.14816	0.9
189.16446	1.7
197.11795	1.0
199.14838	1.5
207.17436	1.1
211.14857	0.8
217.15915	2.3
235.16951	15.6
235.19321	0.9
253.14365	2.6
253.18073	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	253.1799
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
53.03939	1.0
55.01865	0.6
55.05507	3.3
56.02455	0.5
57.03429	1.7
57.07076	0.9
57.26155	0.5
64.61462	0.5
67.05503	8.2
69.03432	40.1
69.07066	3.7
69.80608	2.3
71.04987	0.9
71.08626	0.6
79.05501	4.7
81.03437	0.8
81.07053	10.5
83.04980	1.4
83.08618	2.0
85.06551	0.9
91.05492	7.0
93.07046	4.7
95.04963	1.6
95.08607	6.4
97.06549	3.0
97.10178	1.0
98.98469	100.0
99.04504	0.6
100.98890	1.5
105.07027	4.0
107.08589	4.2
109.06526	2.3
109.10162	4.1
111.08096	1.0
116.99494	3.0
117.07043	0.8
119.08594	3.9
121.06500	1.1
121.10188	1.9
123.08079	2.4
123.11695	1.5
125.09534	0.6
131.08604	1.6
133.10139	7.8
135.08023	0.6
135.11720	1.3
137.09630	0.8
140.01071	0.8
145.10179	0.6
146.97647	0.5
147.11699	1.9
148.09750	0.5
149.09613	1.3
149.13324	0.8
151.11243	3.1
157.10085	0.8
161.13194	1.2
174.99232	2.2
176.98978	1.5
183.11696	0.7
189.16481	0.9
197.11687	0.7
197.13406	0.6
199.14857	1.4
204.06358	0.5
207.17389	0.7
217.15948	2.1
217.19582	0.6
235.14699	0.9
235.16936	9.6
235.20517	0.8
253.15880	1.0
253.17929	1.8
253.19725	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1232
Annotation	dimethachlor OXA
Peak:m/z	Relative Intensity
55.01870	1.1
56.96561	2.0
58.06584	3.6
60.04507	1.3
65.03952	1.4
67.05507	1.8
69.03433	1.0
70.05270	4.3
70.06590	4.9
72.08158	9.7
73.08478	2.1
77.03930	0.9
79.05494	0.9
81.03432	1.3
83.04964	1.1
84.04498	2.3
84.08141	6.6
85.02900	1.3
86.09700	2.8
88.03992	18.1
90.34071	0.9
91.05484	17.7
93.07047	2.1
93.39760	0.8
95.04944	1.8
97.02889	1.8
98.98470	56.8
103.05460	3.4
105.07023	3.0
106.05032	1.3
107.04946	1.9
110.07160	1.5
111.14362	0.9
112.07594	1.0
115.05462	1.4
116.99493	1.2
119.04950	27.2
119.08554	3.1
120.08121	1.9
121.05110	0.9
121.06531	2.3
123.04413	2.6
128.06201	0.8
129.06990	4.0
129.10258	1.7
131.08559	3.7
133.06459	1.3
134.05974	0.9
134.99675	0.8
136.06189	6.2
136.07547	1.2
137.02284	1.3
137.05960	6.3
139.03854	1.2
143.98589	0.9
145.06541	1.0
146.06024	1.2
147.04417	100.0
147.08058	3.0
148.04745	2.4
148.06131	1.7
149.05983	4.0
151.07498	1.1
152.10667	0.9
157.06496	5.1
159.08072	3.3
160.05145	2.2
160.11220	2.7
161.05986	5.7
162.05521	2.1
162.07738	9.3
162.83401	0.9
163.03879	1.3
163.06306	2.3
164.07059	2.2
165.09116	11.7
166.08623	1.5
171.04457	0.8
175.07547	24.3
176.08290	1.8
176.98932	1.1
177.07829	3.9
177.09125	7.9
178.07635	0.9
179.07053	1.8
179.08546	2.4
188.05722	2.2
188.10666	2.7
192.05159	2.6
193.04971	4.6
193.08507	1.3
193.11032	2.7
196.05981	1.3
203.07275	1.1
204.10216	1.5
205.98796	2.2
206.11783	30.8
206.13741	1.6
207.08073	3.3
208.13353	2.6
221.08083	3.4
229.00420	1.4
234.07854	1.4
234.11345	1.7
235.10770	1.3
252.07210	8.7
252.12332	80.0
252.16197	2.2
253.12383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	1.2
70.06586	2.1
71.55321	0.4
72.07806	0.3
72.08163	3.3
73.25938	0.2
73.26450	0.2
75.55082	0.2
75.91265	0.2
82.19431	0.2
86.98207	0.2
88.07629	0.7
89.10786	0.6
92.40383	0.2
110.07176	1.6
116.10735	100.0
117.11057	0.8
123.04423	1.7
138.05562	0.4
148.94252	0.2
149.93567	0.3
156.05034	0.5
165.05478	0.6
192.94141	1.0
207.09946	0.3
227.84697	0.2
235.09299	0.3
253.10385	0.4
253.12971	1.1
253.15286	0.5
271.11429	2.0
274.55444	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	253.0707
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
53.03945	0.4
53.23530	0.3
53.41846	0.3
55.01864	0.5
55.05507	1.5
57.03435	0.9
62.54773	0.3
65.03935	0.4
67.05501	2.6
68.99787	0.4
69.03413	1.0
69.07067	1.2
69.24801	2.8
71.05006	0.6
76.30888	0.3
79.05485	1.2
80.06270	0.5
81.03458	0.5
81.07051	2.3
83.04980	1.6
83.08612	1.0
85.06531	0.8
91.05484	4.1
93.03402	0.3
93.07043	1.8
95.04978	1.9
95.08601	1.6
97.02917	0.6
97.06528	0.9
98.98469	21.7
99.08089	0.8
105.07030	2.5
107.01334	0.7
107.04926	0.6
107.08605	1.1
108.05742	0.6
109.02878	0.8
109.06487	0.5
109.10157	1.8
110.71126	0.3
111.04458	0.5
115.05484	0.3
118.04158	0.8
119.08578	1.5
120.08111	0.6
121.02869	1.1
121.06516	0.7
121.10155	0.9
123.00816	1.0
123.04427	0.5
123.08094	0.4
123.11693	0.6
127.07610	0.4
131.08595	0.6
133.02846	0.5
133.10126	4.3
135.04401	0.8
135.08037	0.6
135.11716	0.3
136.05197	1.1
137.09619	1.2
139.03912	1.8
139.07590	0.4
143.08574	0.6
145.10123	0.4
146.03638	1.3
147.00804	0.4
147.04416	1.1
147.11693	0.7
149.02353	3.5
149.09665	0.7
150.03142	0.5
151.11169	0.5
153.05563	0.4
159.11674	0.6
161.09586	1.0
161.13268	0.5
163.03876	1.8
164.04666	1.8
165.01846	0.7
165.05602	0.5
165.06985	0.5
167.03394	3.1
169.10121	0.4
174.03134	2.7
175.14857	0.4
177.01836	8.1
179.03384	1.2
179.10648	0.3
180.00511	0.8
180.60442	0.3
189.16498	0.5
190.02574	0.3
191.03403	5.6
192.04207	3.1
193.05002	2.0
194.02104	0.5
195.02921	5.1
197.11772	0.4
203.03386	0.4
205.01331	48.8
206.01784	0.7
207.01135	0.5
207.02876	1.7
207.08034	0.6
209.04469	4.2
209.08119	0.7
210.06879	0.5
217.15895	0.5
219.02908	2.7
220.03676	23.0
221.04018	0.4
221.05980	0.5
223.02382	34.3
235.16920	1.1
237.04024	0.9
238.04721	17.2
238.08325	1.8
252.10245	1.3
253.07072	100.0
253.10741	3.1
253.18045	1.4
254.07428	0.8
254.17444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
57.03444	0.6
57.09310	0.2
60.34448	0.2
69.07063	0.3
69.42606	0.4
69.43006	1.8
74.02454	1.3
79.05487	0.7
81.07062	3.1
84.08105	0.3
88.03993	2.6
91.05486	5.4
94.04073	1.3
98.98472	1.7
116.03455	1.0
119.03546	2.8
120.08106	0.4
134.04507	3.2
136.06195	100.0
137.04626	1.7
146.06076	0.2
152.05737	0.3
170.79012	0.3
206.08235	0.3
215.72493	0.2
234.11089	0.4
234.13516	16.0
252.14569	55.2
253.14879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03947	2.0
55.01874	1.0
55.05510	4.5
56.96560	1.1
57.07074	1.0
59.04988	0.6
65.03965	0.9
67.05506	18.1
69.07072	3.3
71.02494	1.5
79.05492	12.6
81.03419	3.7
81.07059	17.5
83.04999	0.9
83.08613	1.6
86.38565	0.7
91.05486	16.6
93.07047	6.9
94.62703	0.7
95.04974	7.3
95.08609	14.7
95.51770	0.7
97.06523	1.1
97.10184	0.9
98.98470	100.0
103.05473	0.8
105.07037	12.2
107.04958	3.5
107.08601	4.6
109.06530	4.3
109.10162	7.6
116.99510	2.8
117.07027	4.3
117.07732	0.7
117.08736	0.5
119.08574	9.5
121.06512	3.5
121.10149	2.8
123.08079	2.4
123.11712	1.5
129.06992	1.7
131.08562	9.1
133.06509	1.3
133.10161	2.5
135.08037	0.9
135.11729	0.9
137.09639	0.8
140.01111	1.2
143.08604	0.6
145.10156	3.0
147.08069	1.3
149.09602	1.5
155.08591	0.9
159.11703	1.3
161.09596	0.6
169.10117	1.7
171.11740	1.4
173.13298	2.1
174.97842	0.6
174.99141	3.6
187.11310	0.8
187.14818	2.3
197.13297	2.4
205.15918	1.9
215.14290	1.4
233.15369	9.3
250.45871	0.7
251.16357	7.4
251.20110	3.8
269.10654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
52.68241	0.4
53.03939	2.1
55.01868	2.0
55.05516	3.7
57.03436	1.3
57.07071	0.5
58.72163	0.5
63.20173	0.5
65.03936	1.5
67.05511	20.4
69.03434	0.7
69.07085	4.8
70.45609	1.2
71.04993	1.7
72.08142	0.5
75.98631	0.6
77.01672	0.5
79.05504	12.1
81.03423	29.4
81.06581	0.8
81.07063	17.4
83.04981	2.5
83.08617	1.6
85.06564	1.0
91.05491	12.3
91.06072	0.7
93.07056	11.2
93.82178	0.5
95.04980	26.6
95.08611	10.3
95.09176	1.0
97.06545	2.4
98.98477	100.0
99.08106	0.5
103.05461	1.0
105.07030	10.4
105.07677	0.8
107.04981	2.1
107.08609	4.5
109.06525	5.8
109.10175	3.1
111.08064	1.0
115.05566	0.6
116.99516	2.1
117.07023	4.4
119.04932	0.5
119.08589	7.1
121.06519	8.1
121.10175	4.0
123.04429	1.2
123.08092	3.7
123.11732	2.0
127.07564	0.5
128.06276	0.8
129.07039	2.9
131.08580	13.1
133.06528	1.3
133.10190	2.6
135.08086	3.4
135.11731	1.5
137.06004	0.8
137.09641	1.7
140.01054	0.6
141.07016	1.4
143.08595	1.1
145.06546	0.8
145.10150	6.5
147.08080	2.2
147.11696	3.4
149.09669	1.4
149.13284	1.7
151.07581	0.6
155.08545	1.2
159.11755	3.1
161.13274	0.7
163.11241	0.8
165.12793	0.9
169.10196	1.7
171.11716	3.2
173.09688	0.9
173.13307	3.2
174.99287	2.8
177.12939	0.8
181.10300	0.7
185.13417	0.5
187.11224	0.7
187.14822	6.6
189.12769	1.7
191.11819	7.9
194.10965	0.6
195.11758	0.8
197.13341	2.9
205.15880	1.3
209.13382	0.7
215.14383	4.4
233.15404	11.4
251.12247	1.4
251.14195	0.6
251.16270	10.1
251.20306	1.2
263.61536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18874	0.3
51.46241	0.3
53.03950	0.4
55.01871	0.3
55.05510	0.6
56.96561	0.3
57.03427	0.7
59.93773	0.3
61.02942	0.3
67.05515	0.9
68.05029	0.4
69.03424	0.4
70.06598	30.7
71.04974	0.4
71.49419	0.3
71.53929	0.5
72.08161	8.0
73.02928	0.4
76.03999	0.4
77.01596	0.3
79.05501	0.8
81.07043	1.0
82.06575	0.3
83.05000	0.6
84.04510	2.2
84.08154	1.0
85.02901	0.7
86.09701	0.8
89.10828	0.5
91.05517	1.3
93.07048	1.0
94.06563	0.4
95.04981	1.0
95.08614	0.7
97.02892	0.9
98.06038	0.6
98.98474	100.0
103.05445	0.4
105.07046	1.0
105.52068	0.3
107.04943	0.8
107.08588	0.8
108.04348	0.3
108.08135	0.9
109.06516	0.5
110.07155	0.4
110.09652	0.4
113.06025	0.4
116.98721	0.5
116.99511	2.9
117.03394	0.4
117.07014	0.4
119.04950	1.7
119.08617	0.9
120.08112	0.3
121.02885	0.5
121.06527	0.3
121.10121	0.6
123.04472	0.7
123.08059	0.4
126.09157	0.8
127.03904	0.3
129.06955	0.3
130.04973	0.4
131.04951	0.8
131.08675	0.4
133.06403	0.4
133.10199	0.5
134.09729	0.4
135.04419	0.7
136.06190	0.8
136.07507	0.3
136.11182	2.5
137.05910	0.4
137.09634	0.6
140.01111	0.7
142.36336	0.3
145.02890	0.9
145.06490	0.6
145.10158	0.5
146.06003	0.3
147.04424	4.6
147.08038	0.3
149.09673	0.5
151.07559	0.4
159.07968	0.4
159.11685	0.3
161.05945	0.5
163.03970	1.8
163.07570	0.9
163.12334	0.3
164.07007	0.4
164.10767	1.7
165.09146	0.6
168.07530	1.0
173.06056	0.5
173.09703	0.5
174.99266	3.2
175.03773	0.3
175.12383	0.3
177.05493	1.2
178.82660	0.3
179.03448	0.4
182.11778	9.4
182.92795	0.3
187.03894	0.3
189.05501	0.5
191.03371	0.4
191.10721	0.6
192.10304	0.3
194.11827	0.8
195.10437	0.3
205.04854	0.7
206.11858	0.3
207.02910	0.8
207.12132	0.8
215.14357	0.3
219.58896	0.5
226.78363	0.3
233.04131	0.5
233.11835	0.5
233.16591	1.6
234.11258	0.5
234.13412	0.7
251.05263	2.1
251.14238	1.7
251.17787	4.0
251.20151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03938	0.9
55.01867	0.7
55.05526	2.5
57.07055	0.8
59.05005	0.9
59.51557	0.4
65.03940	0.4
67.05503	5.2
69.03430	2.4
69.07072	4.0
70.06590	1.4
71.04996	5.5
71.55637	0.6
72.08155	1.3
79.05502	4.6
81.03437	1.3
81.07057	9.2
83.04980	2.1
83.08609	1.5
85.06532	1.3
91.05489	5.0
93.03414	0.6
93.07047	8.1
95.04990	3.6
95.08615	7.6
97.02890	0.8
97.06548	2.0
98.98471	100.0
99.08107	0.6
105.07040	6.1
107.04958	1.3
107.08603	8.1
109.06528	3.1
109.10178	4.7
111.04454	11.7
111.08094	1.4
113.06003	0.6
115.05448	0.9
116.99493	2.5
117.07024	3.0
119.04945	0.6
119.08588	8.5
121.06495	3.3
121.10165	5.1
123.04439	0.8
123.08080	1.2
123.11724	3.0
125.05984	1.3
125.09645	3.9
127.11174	0.8
129.07014	1.2
131.08571	3.7
133.06508	1.1
133.10130	3.1
135.08052	2.1
135.11696	4.5
137.05995	0.9
137.09630	6.1
137.13275	0.6
140.01050	0.6
141.12749	0.8
143.08638	0.7
145.06485	1.2
145.10127	6.1
147.04446	0.6
147.08063	4.0
147.11728	1.8
149.09650	1.8
149.13287	1.1
150.09200	1.3
151.04074	0.4
151.07597	0.5
151.11194	0.6
153.09172	0.6
153.12798	1.0
157.10155	1.0
159.08081	1.6
159.11688	2.2
161.05971	1.0
161.09644	1.2
161.13307	0.6
163.07567	1.1
163.11185	5.2
165.06975	0.6
165.09122	3.0
165.12791	0.6
167.10721	1.2
169.10106	0.5
171.11719	0.7
173.05984	1.0
173.09634	1.6
173.13292	1.5
174.99211	2.6
175.07559	0.5
175.11166	0.6
175.14911	1.0
177.05472	0.9
177.09119	0.9
177.12724	0.9
181.10245	0.5
181.10619	0.6
181.12262	3.9
181.46788	0.4
182.15356	0.6
187.11180	1.5
187.14857	1.8
190.07750	0.7
191.07048	1.1
191.08595	0.5
191.10600	0.5
191.14291	1.0
192.13884	1.4
193.10295	0.4
195.11729	1.0
197.13315	1.0
205.12376	0.6
205.15866	2.5
209.13354	0.5
215.10789	1.2
215.14290	2.9
215.17862	0.8
223.16928	4.1
233.11749	0.7
233.15382	5.7
233.19109	0.8
234.18390	2.1
251.07008	1.3
251.10762	1.6
251.12749	0.7
251.16341	13.0
251.20291	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
55.01872	0.5
55.05516	1.9
55.30510	0.4
57.03437	0.4
57.07063	1.2
59.04992	1.3
67.05502	5.0
69.03429	1.7
69.07070	2.2
69.52763	2.2
71.04993	9.7
72.08160	0.9
73.68446	0.3
77.01614	0.6
79.05490	3.8
81.03416	2.5
81.06598	0.4
81.07063	6.4
83.04975	2.5
83.08627	1.9
85.06536	1.8
91.05492	4.2
91.54167	0.3
93.07045	4.8
95.04977	4.0
95.08611	5.9
97.02877	0.4
97.06522	3.0
98.98468	100.0
103.05448	0.4
105.07031	4.9
107.04945	1.2
107.08594	5.8
109.06514	2.1
109.10172	3.5
111.04443	0.4
111.08089	1.2
112.15121	0.4
113.06023	1.1
113.09679	0.5
115.05457	0.9
116.99506	2.6
117.07019	1.9
119.08582	5.6
120.22801	0.4
121.06529	2.1
121.10144	4.7
123.08069	2.1
123.11732	1.1
125.05998	4.1
129.07005	1.1
131.08595	2.4
133.06488	0.8
133.10117	2.0
135.08035	1.3
135.11714	1.7
137.06033	0.5
137.09624	5.3
139.07495	0.6
143.08568	0.8
145.06450	0.7
145.10123	4.7
147.08057	6.3
147.11705	2.1
149.09601	2.3
149.13268	0.9
151.07582	1.7
151.11131	0.5
153.09117	0.4
155.08635	0.4
157.10095	0.6
159.08047	0.8
159.11705	1.5
161.06041	1.0
161.13245	0.5
163.07510	0.6
163.11185	8.4
165.06992	0.6
165.09235	0.7
167.08582	0.5
169.10020	0.5
173.09663	1.1
173.13257	1.2
174.99228	3.1
175.11227	1.5
177.05519	0.4
177.09131	0.8
179.08493	0.8
179.14276	2.8
181.06842	0.4
181.10121	0.8
181.12254	2.3
187.11336	0.6
187.14833	2.0
189.12822	0.6
191.10733	0.7
191.14351	1.8
193.10313	0.6
193.12311	1.1
195.10179	0.8
195.11780	0.6
205.08698	0.4
205.15895	1.5
206.63321	0.5
207.13875	1.4
208.05234	0.5
209.13206	0.5
210.10469	0.5
215.10620	0.6
215.14345	1.6
215.18010	0.5
219.08192	0.6
233.15363	6.7
251.04890	0.8
251.07056	0.9
251.10626	1.1
251.12805	2.1
251.16290	12.1
251.20279	0.4
252.12450	0.7
258.12073	0.4
274.22504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.164
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
52.19553	0.5
53.03935	1.6
53.25933	0.5
53.91693	0.5
55.01857	0.6
55.05523	2.7
57.03437	0.9
57.07058	1.1
59.05004	0.6
67.05505	4.8
69.03425	2.0
69.07084	4.0
70.06604	1.5
71.04997	3.3
71.05369	0.5
71.55544	0.8
71.55915	0.5
72.08159	2.7
79.05495	9.4
81.07060	20.9
83.04985	1.6
85.06554	1.1
91.05492	7.0
93.07043	11.2
95.04974	4.9
95.08610	7.1
96.08177	0.6
97.06541	7.3
98.06876	2.2
98.98470	100.0
99.08072	0.6
105.03394	1.5
105.07043	6.5
107.04955	1.8
107.08600	12.8
109.06521	2.8
109.10152	5.0
111.04479	1.4
111.08087	1.3
113.06025	1.0
115.05463	1.2
116.99531	2.2
117.07047	1.4
119.04948	1.2
119.08585	8.1
120.08083	1.7
121.06526	2.7
121.10143	5.7
123.08056	3.3
123.11686	0.9
124.07525	0.9
125.06020	3.0
125.06775	0.6
125.09621	0.9
129.06970	0.6
129.12251	0.5
131.07713	0.6
131.08572	3.3
133.10133	3.5
135.04428	0.6
135.08063	2.1
135.11696	16.3
137.05977	4.8
137.09625	5.8
138.06310	1.5
139.07593	1.2
145.02893	0.5
145.06491	1.1
145.10121	6.3
146.09599	0.7
147.04388	0.9
147.08061	2.4
147.11710	2.2
149.05989	0.6
149.09628	2.4
151.07523	1.1
153.12743	1.0
157.10237	0.7
159.08037	0.9
159.11731	1.8
161.05956	0.6
161.09677	1.0
161.13226	0.7
163.07571	1.6
163.11209	7.7
165.09103	1.5
165.12755	0.6
173.09625	1.8
173.13324	2.8
174.99254	3.7
175.11191	0.7
177.05444	0.9
177.09070	0.7
181.12216	3.1
187.14841	2.1
189.12927	0.6
191.07060	0.9
191.10646	1.1
191.14349	3.6
192.15260	0.5
203.14241	0.6
205.12224	0.9
205.15912	2.5
207.13844	0.6
215.10762	1.1
215.14316	1.1
221.15356	1.0
233.11719	1.0
233.15164	3.7
234.12071	3.5
251.07095	0.9
251.09267	0.7
251.12595	1.4
251.16309	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	251.1644
Annotation	Atlantonic acid
Peak:m/z	Relative Intensity
53.03942	0.9
55.01868	1.2
55.05511	2.8
56.35141	0.5
57.03459	0.6
57.07070	1.7
59.04984	1.0
59.91483	0.4
67.05504	5.3
69.03429	3.8
69.07064	3.8
70.06580	1.3
71.04987	3.2
71.55388	1.0
72.08144	1.7
74.54099	0.4
79.05496	9.0
81.03403	0.6
81.07059	23.5
83.04985	2.8
83.08614	0.8
84.04502	0.7
84.08137	0.5
85.06540	1.0
91.05487	5.1
93.07045	9.5
95.04984	4.6
95.08609	8.2
97.02889	1.0
97.06537	7.5
98.06879	2.9
98.98470	100.0
99.04442	0.6
99.08103	0.5
105.03386	2.8
105.07038	5.7
107.04967	2.6
107.08601	14.6
109.06522	4.2
109.10156	5.3
111.04445	0.6
111.08107	2.5
113.06004	1.3
113.09614	0.6
115.05501	1.1
116.99508	1.8
117.07037	1.4
119.04963	1.3
119.08587	8.2
119.47428	0.5
119.94999	0.5
120.08139	0.7
121.06515	3.0
121.10136	5.9
123.08067	3.5
124.07625	0.9
125.06017	2.8
125.09650	1.3
129.07043	1.0
131.04953	0.5
131.08569	3.1
133.06511	0.5
133.10127	4.1
135.08061	2.1
135.11699	15.8
136.11212	0.6
137.05981	5.0
137.09599	5.0
138.06279	2.6
139.07538	1.1
140.01106	0.5
142.86688	0.5
145.06467	1.0
145.10138	5.6
147.04430	1.0
147.08083	2.2
147.11688	2.2
148.04837	0.5
149.05968	0.9
149.09671	2.6
151.07663	0.7
151.11180	0.6
155.08434	0.7
157.10155	0.8
159.08087	0.8
159.11716	2.2
161.05994	0.8
161.09601	1.3
163.07532	1.7
163.11195	7.1
163.14760	0.7
165.09154	1.4
165.12816	0.5
170.23961	0.5
173.05962	0.7
173.09648	1.4
173.13295	2.1
174.99255	3.6
175.11263	0.5
177.05490	1.8
177.09068	1.0
177.12741	1.1
181.12262	3.0
187.11261	1.0
187.14874	1.6
191.07053	1.8
191.08653	0.5
191.10716	1.0
191.14281	2.5
193.12230	0.6
197.13243	0.5
205.12259	0.7
205.15906	2.0
215.10635	0.9
215.14314	1.5
221.15376	0.9
223.07439	0.7
233.11835	0.9
233.15335	4.9
233.19054	0.6
234.12073	4.2
251.07004	1.0
251.09196	1.4
251.12650	0.9
251.14413	0.5
251.16422	10.1
251.20113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62906	0.4
53.03949	0.3
55.01893	0.3
57.05631	0.3
67.05509	0.5
69.07076	3.0
70.06596	0.5
71.45876	0.4
72.08140	0.4
73.06562	0.5
73.40221	0.3
79.05499	1.0
81.03407	0.3
84.04518	0.6
84.08134	0.4
85.02946	0.3
86.24646	0.3
88.03966	0.5
91.46932	0.3
94.04025	0.7
95.04995	0.6
97.06534	3.0
98.98476	3.3
109.02865	0.4
112.05106	0.3
119.03556	2.1
136.06197	100.0
137.04578	1.1
137.06602	0.6
147.04419	0.7
152.05675	2.5
174.07784	1.4
186.07510	0.3
195.09268	0.4
204.07289	0.4
231.03618	0.3
232.11807	0.4
250.13013	95.3
251.13229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1439
Annotation	Peyophorine
Peak:m/z	Relative Intensity
53.03945	1.4
53.93195	0.3
55.01871	5.1
55.05515	1.0
56.05034	0.4
57.03455	0.3
65.03949	0.5
66.92680	0.3
67.05510	3.7
68.05033	2.4
69.03415	0.8
69.07068	0.8
70.02951	0.9
70.06588	6.5
71.04993	2.5
71.55698	0.5
79.05495	14.4
80.05032	0.8
80.05789	0.4
81.03415	0.6
81.07057	45.6
82.06586	0.7
83.04963	0.5
84.08112	0.6
91.05483	2.9
92.05814	0.4
93.07037	3.7
94.06574	1.9
94.07349	0.4
95.04960	1.7
95.08604	1.9
96.08135	2.7
96.08932	0.7
98.06065	0.7
98.98468	11.9
100.07642	0.7
105.07027	1.3
106.06561	1.3
107.04958	0.8
107.08552	1.8
108.08134	0.7
108.08923	0.6
109.06519	24.1
109.10159	1.6
110.06036	0.4
110.10504	0.5
112.07619	1.2
114.05542	2.7
116.07021	0.4
117.07011	1.3
118.06527	1.2
118.07294	0.6
119.08557	1.6
120.08134	2.6
120.08911	0.6
121.06547	0.4
121.10130	1.1
122.06028	13.7
124.07593	1.0
126.05521	0.5
128.07053	0.4
132.08926	0.5
133.08861	0.4
133.10143	0.9
134.09624	2.4
135.08043	1.1
136.07573	1.2
137.09602	0.8
140.07065	48.6
142.08636	5.2
146.09642	0.4
148.07571	1.3
148.11165	2.0
149.08371	0.6
153.04182	0.9
154.08635	0.6
159.11668	0.5
160.12039	1.1
162.09160	1.4
162.12755	0.5
164.07062	2.2
166.08748	0.3
168.06564	39.2
174.99226	0.6
176.10677	0.6
176.14346	1.4
178.08589	0.5
179.09425	0.4
180.06563	3.6
180.10146	2.5
186.12724	0.7
204.13832	8.8
214.16821	0.5
222.14905	2.8
232.13531	1.0
232.17834	0.7
238.19398	0.4
250.14386	100.0
250.18150	6.5
251.14793	0.8
256.66174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
55.05512	2.8
57.03443	1.5
59.05003	4.5
67.05508	5.3
69.03417	1.9
69.07062	2.9
70.04911	0.7
70.06605	3.6
71.04984	2.0
71.54880	0.8
72.08158	6.7
72.38949	0.7
79.05499	5.5
81.03428	1.0
81.07056	8.3
83.04990	5.4
84.04510	1.0
84.08122	1.1
85.06551	1.0
91.05476	4.8
93.07050	4.1
95.04967	6.9
95.08633	4.0
97.06528	5.6
98.06865	1.9
98.98469	100.0
99.04432	0.9
105.07034	4.5
107.08583	5.0
109.06517	11.5
109.10162	17.6
113.06013	2.4
116.99522	3.0
117.07026	1.7
119.04961	1.4
119.08582	3.4
120.08125	1.3
121.06521	1.2
121.10151	1.9
123.08079	1.5
124.07584	0.8
125.05992	1.6
125.09612	1.3
131.08574	2.9
133.06514	1.4
133.10141	2.0
135.08075	2.6
135.11667	1.3
136.06192	5.4
137.05977	20.9
137.09578	1.7
138.06322	2.3
145.02818	1.0
145.06448	1.0
145.10121	2.2
147.04379	1.8
147.08058	1.0
147.11693	1.1
148.04793	1.4
149.09624	3.0
149.13359	1.2
151.07541	14.2
151.11134	1.8
157.10173	1.6
159.08069	1.9
159.11752	1.1
161.06000	1.2
161.09650	1.2
163.11180	1.7
173.13292	1.2
174.99242	2.7
175.11166	3.4
177.09148	3.6
187.14885	0.9
189.12834	0.8
191.14343	1.0
195.10155	7.6
197.13263	0.9
205.06602	0.9
215.14336	1.6
233.11746	1.2
233.15422	2.5
234.11977	2.4
251.10745	0.8
251.12740	1.1
251.14079	0.9
251.16637	4.0
251.20102	1.1
252.14630	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	249.185
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
50.64193	0.7
51.02370	1.3
53.03954	6.3
54.02285	0.7
55.01875	1.7
55.05513	6.5
59.05013	1.2
60.01306	0.8
61.18968	0.7
65.03939	2.1
67.05507	33.3
69.07069	6.0
71.15517	1.5
72.08148	1.7
73.06544	1.7
77.03941	1.0
79.05495	53.3
80.05853	1.2
81.03402	2.3
81.07062	17.4
83.04971	1.5
83.08623	1.8
85.06543	3.3
91.05485	44.1
93.07047	100.0
94.07359	0.9
95.04972	10.3
95.08607	13.9
96.71297	0.7
97.06525	2.3
97.86510	0.8
99.08095	1.4
105.04511	2.4
105.07035	11.3
107.05010	0.9
107.07869	1.4
107.08598	25.6
109.06514	1.5
109.10157	5.6
117.07034	3.9
119.08586	15.5
121.06493	2.3
121.10148	46.0
123.08091	2.0
123.11702	1.5
129.07021	3.7
131.08588	7.1
133.06453	0.7
133.09285	0.7
133.10139	19.8
135.08055	5.6
135.11696	13.0
137.09621	3.1
142.07765	0.9
143.08621	4.0
145.10144	2.8
147.11685	3.7
149.09602	2.6
151.11174	2.7
157.10138	3.5
161.09592	0.9
161.13232	1.0
171.11749	2.4
173.13249	3.0
175.11191	1.6
175.14854	6.2
179.05704	1.0
189.12755	1.9
189.16359	6.5
193.06512	1.0
199.14838	10.3
203.14360	0.8
217.15930	10.0
231.13834	2.2
234.14014	0.9
249.14697	1.9
249.18555	23.7
249.21988	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	250.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.05517	0.9
56.05034	0.6
57.03437	0.5
58.06591	1.7
67.05497	0.7
68.05029	4.6
69.07072	3.6
70.06593	2.0
71.04988	0.9
71.12116	0.9
72.08150	1.2
79.05491	1.3
81.03413	1.2
82.06583	1.3
84.04509	2.3
84.06591	0.4
84.08139	1.5
84.29745	0.5
85.02921	2.5
85.06500	0.4
86.06073	32.6
86.09706	1.4
91.05484	6.2
93.07045	3.4
94.04030	0.9
95.04978	13.4
97.02910	0.4
97.06542	4.4
98.06043	1.1
98.98474	9.5
102.05553	1.2
103.05479	4.5
107.04960	5.1
109.06513	0.4
119.03545	1.9
119.04947	17.4
121.06517	23.8
123.04438	32.2
129.43877	0.4
130.05013	20.4
133.06514	0.7
134.09641	2.0
136.06195	100.0
137.04623	1.2
147.04420	12.8
148.04770	0.8
149.05988	0.7
150.09151	0.9
154.05109	0.4
165.05504	9.4
174.07765	0.8
174.09119	0.6
177.05592	0.4
186.09323	0.6
189.09151	1.2
204.10271	2.3
204.12018	0.6
220.09741	0.5
233.11757	1.7
250.10750	53.4
250.13062	77.6
250.16026	4.1
251.11017	0.5
251.13287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0919
Annotation	N-(4-Coumaroyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03948	2.5
54.99832	0.7
55.01876	1.5
55.05508	1.4
56.05026	0.8
57.03448	0.9
59.63712	0.7
67.05511	3.5
69.03439	1.6
69.07068	0.9
70.06598	2.1
71.04995	85.5
71.54206	1.2
72.08161	4.0
73.04046	0.8
77.78617	0.6
79.05504	2.2
80.05826	0.8
81.03416	8.3
81.07066	1.9
83.01324	0.7
84.08147	26.7
84.75634	0.6
85.02906	1.2
86.09708	2.1
87.00805	0.9
91.05498	1.8
94.06593	0.8
95.04974	1.6
95.07327	0.6
97.02876	3.3
102.64037	0.6
103.05473	1.0
105.07050	1.4
107.04967	2.0
108.04489	1.3
108.08124	1.8
108.31119	0.7
109.02880	9.0
109.05108	0.8
109.06562	0.9
110.06033	1.1
115.08707	2.3
118.06546	1.0
119.08575	1.0
120.08117	1.1
122.06039	2.8
123.06820	1.5
124.03936	0.7
124.07625	1.1
126.70744	0.7
131.08452	0.8
133.05110	1.0
134.09648	1.7
135.04408	1.2
136.04770	1.3
136.06203	5.0
136.07561	1.5
138.05502	0.6
140.07056	2.1
147.04416	1.9
150.05550	2.8
150.07751	21.5
151.06277	6.8
152.07060	12.3
156.85901	0.6
159.56029	0.7
160.03915	6.3
160.07596	0.7
161.05974	0.6
162.06343	1.1
163.03908	2.0
164.04285	3.3
164.07086	1.3
174.09177	0.8
178.04999	100.0
179.05376	1.3
182.07866	0.7
192.10179	1.1
202.08627	3.4
202.10426	0.8
202.12762	0.6
204.10153	0.9
218.08116	1.0
220.06866	4.0
220.09682	2.3
230.08136	2.1
248.06534	5.5
248.09192	73.3
248.12871	3.4
248.14691	11.5
248.20226	1.6
249.07553	0.9
266.07440	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	247.2058
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.02374	1.5
53.03942	3.3
55.01872	4.0
55.05516	21.8
56.17503	0.9
57.03435	1.9
57.07079	2.1
63.78221	0.8
65.03942	1.6
67.05177	1.4
67.05510	20.0
69.03432	1.8
69.07069	7.2
71.04975	2.0
72.08168	9.9
75.63179	0.8
79.05501	39.1
80.93727	1.0
81.03413	1.5
81.07063	19.1
83.04993	4.5
83.08609	5.9
91.05493	12.7
93.07050	25.9
95.04980	5.6
95.08609	12.3
97.06538	3.8
97.10179	5.0
99.08092	1.2
101.87720	0.8
103.05462	1.1
105.07047	12.9
107.04967	32.6
107.08602	17.4
109.06504	3.5
109.10161	10.7
112.35443	0.9
117.07034	4.7
119.08566	9.1
121.06493	3.6
121.10146	15.3
123.08115	1.2
123.11716	3.5
125.09648	4.4
129.07024	1.6
131.08595	8.6
133.10155	8.0
135.08046	2.6
135.11713	7.4
137.09624	2.6
145.10126	7.4
146.08484	0.9
147.11714	5.5
149.09634	76.8
149.13152	5.4
151.11188	4.7
157.10153	1.7
159.11664	6.7
161.13269	2.4
163.11189	5.0
163.14850	1.5
165.12827	1.0
173.13254	3.5
174.13910	0.9
175.14830	1.6
176.14401	5.0
177.12750	4.0
187.11159	1.2
187.14842	2.5
189.16336	1.9
191.14349	1.5
201.16501	1.5
205.15897	1.3
229.12212	2.3
229.15930	1.3
229.19518	9.5
247.14894	2.1
247.17044	5.1
247.20586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
56.96567	0.8
58.99863	0.9
61.04062	1.0
70.99834	1.1
71.09599	1.2
82.99821	4.2
83.65508	0.7
85.01383	1.2
89.00888	1.1
101.00885	48.7
103.02445	1.9
105.00354	1.0
113.00857	3.5
115.02439	1.0
119.01928	100.0
120.02045	1.1
127.02403	2.1
131.01913	10.8
133.03505	1.3
137.02962	12.7
142.03503	1.4
143.01907	19.4
144.06503	0.8
145.03473	12.8
147.01361	1.6
157.03418	1.9
159.01413	10.4
161.02963	46.5
163.04558	1.6
171.01376	6.7
173.02979	3.3
175.04521	1.7
177.02460	18.4
179.04016	1.7
179.32095	0.9
189.02457	46.3
191.04056	3.6
201.02490	5.9
203.04048	1.1
207.03539	13.5
219.03555	7.1
231.03537	2.4
249.04567	18.3
256.81854	0.8
267.05521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01868	0.9
55.05505	1.0
57.03434	1.0
59.04979	0.5
67.05486	2.0
69.03440	3.1
69.07069	0.9
71.04984	1.2
71.55156	0.5
71.55552	0.5
72.08134	2.0
77.58699	0.4
79.05486	2.0
81.03410	1.7
81.05374	0.4
81.07044	1.6
85.02910	3.2
85.06565	0.4
91.05479	8.9
93.07043	2.1
95.04976	1.2
95.08604	1.7
97.02870	1.7
97.06528	1.7
97.61082	0.4
99.04459	0.7
103.05470	1.8
105.03426	0.8
105.07034	5.8
107.04935	2.7
107.08576	2.2
109.10159	0.8
115.05450	6.1
116.06228	3.6
117.07041	3.6
119.04963	0.9
119.08592	2.2
120.08115	0.7
121.06493	1.7
121.10139	1.2
127.03944	1.2
128.06223	9.5
129.07014	21.2
130.07794	1.1
131.04898	2.7
131.08571	17.9
132.05713	1.0
133.06487	3.5
133.10141	2.8
135.04434	0.8
135.08040	1.0
137.05946	0.7
137.09634	0.6
141.07001	9.4
142.07770	4.0
143.04906	0.9
143.08606	4.0
144.05708	10.0
145.06483	6.4
145.10138	1.4
146.03619	0.6
146.07292	3.9
147.04411	1.9
147.08022	1.1
147.11668	1.0
149.09584	0.9
151.07564	0.5
152.06171	1.0
153.07021	2.1
155.04912	0.6
155.06046	1.6
156.05670	1.9
157.06514	8.8
157.10161	1.1
158.07271	2.0
159.04405	0.8
159.08064	28.3
159.11655	1.0
160.05153	1.9
160.08768	0.8
161.05974	5.5
161.09636	8.0
163.03873	0.7
167.06987	1.3
169.06436	1.5
169.07640	3.1
170.07294	10.1
171.04407	1.6
171.08069	6.9
172.05206	3.7
173.06007	4.7
174.06740	2.9
175.07611	3.0
175.11154	0.6
177.05545	1.3
178.06270	1.5
181.22427	0.5
185.06000	1.1
185.13208	1.0
186.06830	0.8
187.07547	18.9
188.08255	1.6
189.05511	3.1
189.09102	9.2
189.12602	0.9
190.06293	1.3
191.07047	1.4
193.08604	1.2
198.06720	1.8
199.07567	2.6
201.05481	2.2
202.06187	0.6
203.07045	7.4
203.10635	0.6
204.07831	13.3
205.08499	2.2
206.09352	0.9
213.12903	0.5
216.07828	3.4
217.08629	1.3
218.09422	1.5
219.10182	1.2
221.08078	1.1
221.11664	3.1
231.10176	7.7
231.13884	1.7
233.11696	0.7
234.08867	1.3
249.11235	100.0
249.18037	2.2
250.11349	1.1
265.76331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.5
53.03942	3.3
55.01872	4.0
55.05516	21.8
56.17503	0.9
57.03435	1.9
57.07079	2.1
63.78221	0.8
65.03942	1.6
67.05177	1.4
67.05510	20.0
69.03432	1.8
69.07069	7.2
71.04975	2.0
72.08168	9.9
75.63179	0.8
79.05501	39.1
80.93727	1.0
81.03413	1.5
81.07063	19.1
83.04993	4.5
83.08609	5.9
91.05493	12.7
93.07050	25.9
95.04980	5.6
95.08609	12.3
97.06538	3.8
97.10179	5.0
99.08092	1.2
101.87720	0.8
103.05462	1.1
105.07047	12.9
107.04967	32.6
107.08602	17.4
109.06504	3.5
109.10161	10.7
112.35443	0.9
117.07034	4.7
119.08566	9.1
121.06493	3.6
121.10146	15.3
123.08115	1.2
123.11716	3.5
125.09648	4.4
129.07024	1.6
131.08595	8.6
133.10155	8.0
135.08046	2.6
135.11713	7.4
137.09624	2.6
145.10126	7.4
146.08484	0.9
147.11714	5.5
149.09634	76.8
149.13152	5.4
151.11188	4.7
157.10153	1.7
159.11664	6.7
161.13269	2.4
163.11189	5.0
163.14850	1.5
165.12827	1.0
173.13254	3.5
174.13910	0.9
175.14830	1.6
176.14401	5.0
177.12750	4.0
187.11159	1.2
187.14842	2.5
189.16336	1.9
191.14349	1.5
201.16501	1.5
205.15897	1.3
229.12212	2.3
229.15930	1.3
229.19518	9.5
247.14894	2.1
247.17044	5.1
247.20586	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01875	0.5
55.05518	0.6
56.05040	1.6
57.03437	0.4
57.07076	0.5
58.06604	0.3
60.08165	0.5
63.55190	0.3
69.03432	0.7
69.41395	2.6
70.06597	1.0
71.04998	0.8
72.08159	100.0
74.06088	7.0
76.94791	0.3
79.05501	1.1
81.03419	0.5
81.07040	0.6
83.04957	0.6
84.04514	0.9
84.08131	1.0
85.06496	0.4
85.32471	0.3
86.09711	8.9
91.05490	1.8
93.07050	0.9
94.06613	0.4
95.04971	0.8
95.08618	0.5
97.02885	0.9
99.04467	0.3
103.05479	0.7
105.07052	1.1
107.04983	0.8
107.08591	0.7
115.05442	0.5
117.07005	0.5
118.06544	5.4
119.05016	0.4
119.08585	0.9
120.08115	0.7
121.02842	0.3
121.06504	1.3
125.09624	0.4
129.06967	0.5
131.04922	0.5
131.08543	1.4
132.08101	1.6
133.06491	0.4
133.08864	0.8
133.10057	0.3
134.09625	0.7
135.04396	0.9
142.96455	0.3
144.05699	0.3
144.08119	0.3
145.06537	0.4
145.10124	1.3
146.03645	0.4
146.09711	1.9
146.11768	7.8
147.11597	0.4
149.02271	0.4
157.06493	0.4
159.08029	0.9
159.09294	0.4
159.11690	0.8
161.06056	0.7
163.03883	1.5
168.72444	0.3
173.09596	0.6
173.13287	0.4
175.03914	0.6
175.07550	0.4
176.14357	73.5
177.14642	0.5
178.04980	0.6
187.07484	0.5
187.11314	0.5
187.14432	1.7
188.07071	0.6
189.05469	0.7
191.06920	0.4
201.12592	0.6
215.10570	0.4
219.06538	1.2
219.14926	0.6
229.08633	0.4
229.11919	0.5
229.13322	1.7
229.15701	0.6
247.05832	2.5
247.09808	1.0
247.14226	2.6
247.16914	2.1
247.21707	8.8
248.09248	0.5
265.07059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
51.29998	0.6
53.86788	0.7
54.52422	0.6
55.05488	2.0
57.07058	1.4
58.18392	0.5
67.05511	5.6
69.07069	3.4
70.22575	1.8
72.08146	1.0
79.05502	3.9
81.07067	6.4
83.08596	0.9
91.05489	4.5
93.07050	9.5
95.08606	8.3
97.06518	1.1
98.20782	0.8
100.86794	0.7
105.07048	11.4
107.08595	10.1
109.10180	6.8
117.07021	4.3
119.08586	11.2
121.10157	10.8
123.08083	1.1
123.11671	1.7
129.06955	1.1
130.07785	0.9
131.08563	9.6
133.10139	8.2
135.11714	4.9
143.08525	1.3
144.09319	2.7
144.99037	0.7
145.10136	9.6
147.11690	4.3
149.13226	1.0
157.10017	1.0
158.10930	0.8
159.11703	32.3
160.12372	1.0
161.13280	11.0
163.11116	0.7
171.11697	2.2
172.12523	0.6
173.13281	23.1
175.14839	17.4
185.13235	2.8
186.14067	11.0
187.14868	6.9
189.16400	0.8
199.14807	5.4
200.15538	1.2
201.09158	0.6
201.16449	1.5
214.17198	4.6
225.04306	1.0
229.19522	100.0
230.19897	1.8
247.13231	1.2
247.16895	1.1
247.20596	21.4
247.23262	1.2
247.24327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	70.9
71.03532	1.5
71.03858	1.1
91.05457	1.3
115.05483	1.9
117.07030	2.5
118.06558	46.3
127.11346	0.6
142.06538	2.3
143.07358	4.8
144.04417	1.1
144.08102	21.0
146.06023	90.6
160.07564	1.1
170.06027	7.6
188.07085	100.0
189.07269	0.8
210.82541	0.7
235.51572	0.7
247.14487	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	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
52.38171	1.0
53.03947	1.8
55.01858	1.8
55.05269	1.1
55.05510	15.1
57.03406	1.9
57.07056	3.0
57.76993	0.9
59.05000	1.8
63.62866	1.0
65.70539	0.9
67.05511	12.0
69.03408	2.7
69.07073	13.9
70.73528	1.6
70.73876	2.4
71.01300	1.0
71.04974	3.1
71.08656	1.0
72.08149	9.0
79.05502	11.4
81.06586	1.3
81.07059	24.0
81.77279	0.9
83.04987	5.0
83.08628	5.3
85.02912	1.1
85.06084	1.0
85.06549	12.8
91.05475	18.5
91.17356	1.0
93.07047	18.1
95.04952	3.1
95.08049	1.6
95.08615	20.3
97.02873	2.9
97.06515	1.9
99.04462	5.7
100.11192	1.2
101.06033	4.6
103.05492	1.9
105.07035	32.5
107.04961	1.6
107.08602	19.5
109.06499	3.8
109.10141	9.5
114.38718	1.0
115.05466	2.0
116.06271	1.3
117.07030	9.3
119.04855	1.1
119.08589	45.4
121.06520	2.8
121.10158	12.4
123.08028	3.6
123.11705	2.1
127.07527	4.2
129.06996	3.7
130.07767	2.9
131.04988	1.1
131.08577	26.5
133.06535	1.6
133.10138	31.5
134.10852	1.3
135.04434	2.0
135.08040	4.5
135.11673	4.5
137.09660	1.3
141.06998	2.0
142.07729	1.6
143.08572	7.9
144.09314	3.2
145.06464	2.8
145.10124	44.8
146.03596	1.4
146.10847	2.1
147.08000	1.6
147.11696	15.0
149.09613	2.9
149.13261	2.2
151.03920	1.1
153.09163	1.3
155.08531	2.0
156.09352	1.1
157.10150	6.7
158.10869	2.5
159.08064	6.2
159.10452	1.6
159.11700	25.7
161.05980	1.6
161.09605	3.2
163.03918	3.2
163.07555	2.2
163.11238	1.4
163.14879	1.4
165.09114	1.1
167.08493	1.1
169.10103	7.0
170.10931	3.0
171.11650	4.6
172.12482	4.7
173.09593	8.8
173.13251	9.3
174.14014	2.5
175.07480	1.4
175.11194	1.9
175.14813	4.2
176.04768	1.2
176.14336	7.7
177.09094	5.8
181.10153	1.6
183.11627	3.0
185.13271	17.8
187.07562	3.1
187.11223	6.7
187.14827	53.0
189.05496	1.9
191.07056	1.6
191.10674	11.9
191.17979	1.9
196.12440	3.0
201.12791	2.8
201.16438	5.9
203.06920	1.7
204.04144	1.3
205.12241	5.3
211.14821	16.8
217.08521	1.1
219.06493	5.8
219.13782	1.2
223.80223	1.1
225.30031	1.1
229.08478	1.1
229.12367	2.4
229.15877	11.8
232.12355	1.2
247.05971	4.1
247.09763	4.3
247.13156	5.2
247.16936	100.0
247.24025	5.4
248.17197	1.5
265.07031	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1336
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.78138	3.0
53.03944	6.1
53.08178	2.9
55.01873	6.1
55.05508	14.4
55.93526	3.6
57.03442	3.5
65.03923	6.7
67.05502	18.4
69.03438	26.5
69.05347	2.9
69.07060	13.0
69.39435	5.8
69.39834	22.4
70.02965	24.3
70.06583	11.9
71.04993	13.8
72.08173	17.2
74.02448	21.3
79.05511	23.2
81.03422	4.9
81.07055	13.2
83.04979	23.6
84.04508	6.1
84.08148	6.0
85.02908	4.7
86.09715	92.4
88.03986	8.2
88.07628	4.7
91.05474	28.4
93.07047	22.0
95.04969	41.1
95.08611	14.1
97.02882	11.8
97.06516	7.8
98.06051	4.1
99.04463	4.9
103.05488	6.0
105.07035	56.5
107.04938	9.5
107.08613	16.2
109.02892	3.8
109.06525	28.6
111.04436	8.7
113.38776	3.7
115.05500	9.1
116.07111	4.6
117.07025	12.6
118.12333	3.5
119.08591	44.5
119.21329	2.8
120.08123	7.5
121.02898	4.0
121.06505	14.0
121.10126	9.0
123.04426	4.9
123.08086	27.5
125.05994	3.9
128.06267	5.7
129.06995	20.6
129.10262	4.2
130.06517	4.9
130.07800	3.3
131.04900	7.2
131.08585	26.5
132.10208	26.2
133.06488	11.2
133.10150	9.8
135.04417	6.9
135.08041	22.3
137.09543	3.7
141.07011	10.5
142.07791	15.6
143.08609	16.7
144.09340	8.8
145.06439	16.8
145.10135	26.2
147.04425	5.7
147.08070	18.6
147.11679	9.8
149.06007	4.8
149.09621	7.3
151.07524	6.1
153.06981	7.3
155.04933	5.0
155.08522	15.8
156.09334	10.8
157.06503	6.3
157.10155	24.3
158.07254	6.3
158.10884	5.7
159.04405	5.9
159.08051	21.4
159.11691	29.5
160.08859	3.6
161.05968	6.0
161.09644	18.9
163.03976	20.9
163.07526	7.7
165.09134	16.9
167.08722	4.7
168.09325	5.5
170.11806	3.9
170.79404	4.1
171.08014	5.1
171.11876	23.4
172.08836	12.1
173.06006	14.4
173.09660	17.1
173.13286	15.3
175.03960	6.2
175.07535	7.4
175.11180	16.7
177.05505	3.7
181.06401	3.4
183.11707	18.9
184.13423	4.0
185.09645	7.8
186.10365	5.2
187.03874	17.9
187.07506	4.6
187.11162	20.2
189.09038	20.0
191.07077	6.3
193.10167	5.9
196.08867	9.6
199.11192	24.7
201.05531	16.2
201.09201	6.5
201.12503	53.2
203.10678	7.4
205.04987	4.3
205.12421	4.4
211.11176	16.7
212.12505	3.6
217.12277	18.5
219.06532	4.7
219.13806	7.7
229.05000	9.1
229.12166	33.6
230.13872	8.5
232.33684	3.3
247.04169	3.2
247.06094	29.9
247.09526	5.1
247.13240	100.0
247.16510	5.2
247.24327	3.0
265.07159	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	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
51.92596	0.9
51.98783	1.0
53.03938	4.3
55.01862	2.0
55.05495	3.7
57.07050	1.1
59.04998	1.1
60.04523	1.9
65.03936	5.0
67.05516	5.4
68.99776	1.2
69.03433	20.6
69.07079	1.4
69.95441	5.0
72.08163	9.6
77.03922	1.1
79.05484	9.3
81.07065	7.8
83.04981	19.5
85.06509	0.9
91.05486	19.4
93.03401	4.1
93.07048	10.8
95.04965	5.2
95.08594	2.8
96.07887	1.0
97.02356	1.2
97.02909	11.4
97.06539	1.9
98.20769	1.0
102.05553	12.4
103.05466	1.7
105.07021	15.1
107.04913	2.2
107.08604	14.7
109.02890	10.3
109.06525	13.4
109.10142	3.6
109.91360	1.0
110.29135	1.0
111.04468	4.7
115.05482	2.5
116.06242	1.8
117.07021	11.5
119.08595	17.9
121.02852	3.6
121.06512	17.0
121.10153	5.9
123.04403	1.1
123.08048	2.6
128.06232	3.1
129.07013	5.6
130.07758	2.2
131.04947	1.3
131.08568	18.7
132.05719	3.3
133.06488	2.0
133.10135	10.3
135.04414	1.1
135.08057	25.9
137.05984	4.4
137.09619	3.9
139.03836	1.8
141.07043	2.3
142.07751	3.0
143.08560	12.7
144.05634	1.1
144.09352	8.1
145.06454	11.4
145.10126	14.6
146.07169	1.2
147.08066	5.6
149.05991	1.4
149.09622	22.3
150.10378	4.2
151.07538	1.2
151.11179	3.6
153.06982	3.1
153.09135	1.5
155.08548	6.0
156.09279	1.3
157.06477	0.9
157.10112	4.8
158.07239	2.6
158.10916	10.7
159.08067	11.7
159.11697	27.3
160.08818	2.9
161.06027	1.5
161.09628	4.1
161.13258	1.1
163.03909	3.3
163.07542	19.5
163.11160	3.1
165.09148	1.3
167.08594	1.1
168.09389	4.4
169.10124	2.8
170.10968	4.6
171.08084	7.2
171.11682	1.5
172.07433	1.7
172.08841	16.3
173.06094	1.8
173.09637	30.7
173.13274	31.3
176.14374	6.5
177.09099	1.7
178.07753	1.4
181.06432	2.1
183.11694	9.6
185.09653	1.7
185.13287	2.9
186.10425	20.2
187.11194	100.0
188.11487	2.1
189.09143	2.6
191.07031	35.6
193.10262	1.4
196.08846	5.5
199.07610	1.3
201.12755	59.0
203.14276	2.0
205.08617	1.1
205.12238	4.8
211.11197	10.5
213.09032	1.0
214.09949	1.9
219.06429	2.5
219.13818	5.0
229.12247	59.2
247.06003	4.3
247.13300	71.9
248.13673	1.4
265.07220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1333
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03944	4.7
55.01867	2.6
55.05508	4.3
57.03422	1.3
57.07080	1.9
65.03934	4.4
67.05505	6.6
69.03433	16.5
69.07043	3.0
69.58823	6.7
69.59430	1.0
71.04999	1.6
72.08147	4.7
77.03940	1.2
78.15045	1.2
79.05519	10.1
81.07059	14.1
82.81478	1.0
83.04987	21.7
83.08604	1.2
85.06529	1.7
87.04465	1.2
91.05482	19.7
93.03418	6.1
93.07055	17.8
95.04980	6.5
95.05504	1.2
95.08622	7.3
97.02901	10.6
97.06521	2.2
100.55000	1.2
103.05437	1.5
105.04420	1.1
105.07050	17.0
107.04959	2.3
107.08607	18.8
109.02895	11.6
109.06535	10.8
109.10149	4.7
111.04433	3.9
111.08134	1.4
115.05438	4.1
116.06229	2.4
117.07045	10.3
119.08589	20.8
121.02882	3.6
121.06522	17.5
121.10166	9.3
122.07296	1.3
123.04461	1.3
123.08060	3.1
123.11719	2.1
128.06175	3.4
129.07008	8.5
130.07755	1.8
131.04901	1.4
131.08580	22.7
132.05704	3.3
133.06493	2.3
133.10135	11.4
135.08066	28.6
135.11670	3.0
137.05968	4.4
137.09633	4.1
139.03922	2.8
141.06985	4.0
142.07771	3.1
143.08559	10.8
144.05696	2.8
144.09378	9.0
145.06506	12.9
145.10135	13.7
146.07275	1.5
147.08075	6.5
147.11703	1.8
149.05991	1.8
149.09631	23.2
149.13234	2.3
150.10399	5.1
151.07495	1.1
151.11186	4.2
153.07001	3.0
153.09071	2.3
154.07796	1.3
155.05975	1.4
155.08563	6.6
156.05707	1.4
157.06488	3.8
157.10216	5.4
158.07248	3.2
158.10939	10.6
159.08083	18.8
159.11702	28.8
160.08881	5.1
161.06108	1.7
161.09634	4.4
161.13284	1.2
163.03871	2.5
163.07558	21.5
163.11201	3.0
163.14912	1.1
165.09122	1.6
168.09364	3.5
169.10091	3.4
170.10916	5.3
171.08087	7.1
171.11662	2.3
172.08853	19.4
173.05978	2.9
173.09650	31.6
173.13280	34.2
174.06790	1.7
175.07596	2.0
176.14343	3.6
177.09116	1.5
177.12828	1.3
178.07787	1.2
181.06592	1.7
183.11710	11.5
185.09628	2.3
185.13271	3.8
186.10417	23.3
187.07703	5.8
187.11200	100.0
188.11623	1.9
189.09096	2.3
191.07043	37.5
191.08778	2.0
193.10162	1.5
195.07985	1.4
196.08789	6.0
199.07516	3.0
201.12767	52.7
203.14333	1.7
205.08578	1.9
205.12195	6.3
211.11194	13.6
214.09875	3.0
217.08527	1.7
219.06499	4.0
219.13779	5.1
229.12257	63.6
247.06009	3.4
247.09813	2.6
247.13307	77.5
247.16864	5.2
247.20525	2.3
247.24283	2.7
248.13657	1.4
250.84698	1.0
265.07101	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68172	1.0
58.06602	1.8
70.06595	2.2
71.53996	1.5
72.08150	4.2
84.04506	1.4
84.08138	3.0
85.02940	1.0
85.27460	1.0
86.09717	1.1
100.07639	7.5
101.07967	2.4
117.10271	4.8
118.08689	1.4
119.01915	2.7
121.01684	1.2
142.08632	1.4
148.06119	1.6
169.01067	1.3
177.72572	0.9
187.02455	1.4
229.03221	31.2
247.04283	100.0
247.08028	3.2
247.16525	3.7
247.18758	4.8
248.00327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04733	2.3
72.08143	4.3
84.96629	0.9
85.02905	1.7
86.09676	1.7
100.07636	1.0
101.00878	2.8
105.04411	1.2
114.78505	1.0
117.10177	1.1
119.01917	4.4
130.04929	1.2
167.03198	2.0
187.00801	1.3
215.00388	1.6
229.03220	30.3
247.04274	100.0
247.13043	1.7
247.18498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
55.05515	3.5
56.05042	2.3
56.96570	100.0
57.03439	0.8
57.07074	0.7
58.06606	3.0
59.06940	1.1
60.04541	0.9
61.02930	1.4
67.05513	2.0
68.05025	0.7
69.03428	3.9
69.07069	3.0
70.06601	9.4
70.06958	1.2
70.14117	2.5
70.98128	16.0
70.98499	1.1
71.04996	0.8
71.06947	0.6
71.95278	2.1
72.08162	17.5
73.02928	1.6
73.08512	0.6
74.02450	1.0
74.97605	5.8
74.97923	0.5
79.05507	0.8
81.03405	0.9
81.07048	0.8
82.06586	1.4
83.05004	1.5
83.06921	0.9
84.04512	9.6
84.08150	29.8
84.96037	8.0
85.02923	2.9
85.06551	1.4
85.08488	1.8
86.06090	0.9
86.09711	10.4
86.97619	1.6
88.04013	4.4
88.99160	9.8
88.99634	0.9
91.05512	2.3
95.04965	1.5
95.08616	0.8
96.08139	1.2
97.02886	3.3
97.99213	0.8
98.06072	6.0
98.09714	1.1
98.97588	30.4
100.07626	7.6
100.11267	3.1
100.99164	5.7
101.00888	0.8
101.07951	3.5
102.05569	2.1
102.97090	1.7
103.05508	1.0
104.10769	2.3
105.07005	1.3
107.00196	3.4
109.06513	0.6
110.97575	8.0
112.07631	1.9
112.95533	1.4
114.05618	0.7
115.00725	1.3
116.07128	1.7
116.98627	19.2
116.99455	1.0
117.07098	0.8
117.10243	4.2
118.08675	5.0
118.10625	2.2
118.12337	2.0
119.00185	6.0
119.01958	2.4
119.04996	1.2
119.08602	1.1
120.03441	0.7
121.01692	1.3
121.10178	0.7
122.06074	0.9
123.04456	0.7
123.08121	0.7
124.99157	0.7
126.03786	1.3
126.05587	0.6
126.97060	1.0
127.03913	0.6
128.07137	0.9
128.98605	15.0
129.10269	3.2
130.04985	1.6
130.06589	0.8
130.08682	9.4
130.09645	1.1
130.96571	2.6
131.00238	1.2
131.01955	1.1
132.10265	1.6
133.01732	4.0
134.99677	8.2
136.07617	1.6
137.01234	0.7
139.05864	0.6
141.10265	1.1
142.08693	2.1
143.00163	3.3
143.08183	1.2
144.06644	1.4
144.98097	20.2
144.99196	1.0
145.01764	1.2
146.99658	19.6
147.00771	1.1
147.03384	0.7
147.04422	1.2
147.11357	1.7
148.06125	1.4
148.97592	3.8
149.01234	1.4
150.05527	1.7
150.99239	0.8
151.02774	0.9
152.98677	2.8
153.00763	1.4
156.06577	0.9
158.99680	4.9
159.03343	1.5
159.08064	1.0
161.01305	5.9
161.02950	1.7
162.99164	29.3
163.02835	1.6
163.03998	0.9
165.00746	14.4
166.08589	0.8
166.98734	1.0
170.99751	4.0
171.01089	0.7
173.06090	1.6
174.04388	0.8
174.99234	2.7
175.04546	0.9
177.00766	5.2
177.04381	1.3
179.02373	1.3
181.00204	10.6
183.01842	1.7
183.11581	1.3
184.09778	2.4
184.17064	1.5
186.00832	1.2
186.99237	2.5
187.02608	0.8
187.11003	0.9
189.00861	1.9
190.98691	1.0
191.11893	1.8
193.00237	1.4
195.01859	0.9
199.01328	1.3
201.00873	1.9
201.09654	1.1
201.12439	3.4
202.18010	1.6
205.00208	31.3
205.03856	1.8
212.09319	0.9
214.02727	1.9
216.12321	0.9
219.01770	6.1
219.05264	0.7
221.03206	1.0
223.01268	52.5
223.04916	1.4
228.02008	1.8
229.05084	4.5
229.09967	1.2
229.12088	3.0
230.10367	0.8
232.03700	3.0
237.02834	10.6
241.02324	4.7
246.02972	2.6
246.18268	0.9
247.01305	1.4
247.06575	5.4
247.10927	1.0
247.13472	5.8
247.18472	5.9
247.20651	8.6
265.05960	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	246.1818
Annotation	Valyllysine
Peak:m/z	Relative Intensity
50.74330	0.7
56.05041	1.3
58.06605	30.6
59.07382	3.3
60.08162	6.7
61.91518	0.6
62.98524	0.8
70.06602	1.5
71.18672	0.8
72.08159	1.1
79.02307	0.7
82.06600	5.4
84.04513	2.6
84.08148	13.1
85.05296	3.2
98.09713	2.6
99.15902	0.7
100.07626	100.0
110.06022	1.0
117.10265	55.2
118.08676	9.4
119.01935	0.9
124.07595	1.2
127.08709	1.0
128.07076	2.8
130.05035	3.9
130.08640	1.2
147.07668	2.8
152.07141	1.1
169.09729	3.0
170.08163	1.4
187.10806	1.6
187.89096	0.8
198.07591	1.6
199.70866	0.7
201.16129	1.0
209.23204	0.8
228.07178	1.0
228.17175	1.0
245.95457	8.2
246.07928	5.4
246.18150	93.6
247.18394	0.9
253.74590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44307	0.3
67.05484	0.4
69.07076	1.2
70.06600	1.7
70.57555	0.3
70.67125	0.6
70.67458	0.4
70.70268	0.4
72.08160	1.2
75.92573	0.4
79.05496	0.5
80.05022	1.1
81.07058	0.5
83.04987	0.5
84.04510	0.4
84.08141	0.6
86.06111	0.6
86.09711	100.0
87.10038	0.6
91.05470	0.6
92.43691	0.3
95.08636	0.4
114.03748	0.6
114.99192	0.3
116.07139	0.7
119.08492	0.4
128.06212	0.4
132.10223	4.1
142.03249	3.8
143.08557	0.5
153.01379	0.3
157.06548	0.4
170.02733	0.9
191.75041	0.4
199.07550	0.4
199.18018	1.7
245.08156	1.0
245.11957	1.2
245.15311	0.6
245.18665	4.2
265.74728	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12623	1.4
55.05513	10.9
56.31494	1.2
57.07061	3.8
59.76081	1.2
67.05504	16.1
69.07072	20.9
69.32673	5.2
69.33105	5.2
73.96608	1.3
79.05511	8.7
81.07061	34.7
83.08627	8.1
83.13579	1.1
91.05470	8.5
93.07049	27.2
95.08616	45.7
96.37503	1.2
96.79305	1.1
97.10169	5.2
105.07033	18.6
107.08609	31.6
109.10167	23.8
111.11756	1.5
119.08587	21.7
121.09323	2.2
121.10152	32.2
123.11708	14.6
125.09596	1.6
131.08617	1.9
133.10139	17.1
135.11710	17.7
137.13277	9.3
142.03172	1.4
145.10167	2.3
147.11682	11.7
149.13264	62.3
151.14847	1.6
157.10184	2.0
159.11710	2.4
161.09578	1.6
161.13280	13.6
163.14809	14.2
175.14841	31.2
176.41829	1.2
177.16270	1.4
181.89125	1.2
187.14838	1.4
189.11290	1.3
189.16408	22.3
203.18002	4.9
244.13644	1.3
245.13234	3.7
245.18890	3.2
245.22668	100.0
246.22928	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	245.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.05510	1.2
63.99522	0.2
67.84385	0.2
68.05032	0.6
69.03432	0.3
70.06588	0.5
70.79809	0.5
72.08157	0.8
76.02231	1.0
78.96322	0.2
79.05493	4.4
80.05018	0.8
81.05803	3.8
81.07056	4.2
82.06577	0.5
84.04514	1.2
84.08144	0.6
86.09698	0.7
90.52962	0.3
94.06572	1.6
95.04985	0.4
96.04489	1.4
96.08135	16.7
98.06090	0.3
100.07635	0.3
106.06561	2.5
107.04958	0.6
110.02445	0.2
111.05574	0.4
114.05551	0.3
119.01955	0.4
122.02688	1.2
122.06066	0.3
124.07598	100.0
125.07926	0.6
128.05270	0.3
130.05006	1.5
142.03224	0.4
142.49568	0.3
143.92740	0.3
148.07397	0.2
156.04785	11.9
158.06259	0.4
161.02919	0.3
182.11823	0.8
183.90724	0.3
184.09718	0.7
192.78850	0.2
199.07520	0.3
199.09027	7.8
201.12372	0.9
228.06885	1.0
228.12369	0.4
245.09584	7.9
245.14914	0.5
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	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
56.05034	0.3
57.05801	0.2
58.06596	0.4
58.84097	0.2
65.74635	0.2
67.05515	0.3
67.28116	0.2
69.07069	10.7
69.45670	1.4
69.46074	0.3
70.06589	0.3
72.08156	0.4
80.05003	0.3
84.08142	0.5
84.71709	0.2
86.09708	100.0
87.10033	0.3
91.05482	0.7
129.07082	0.2
132.10220	1.9
142.03236	1.2
157.06497	0.4
170.02834	0.2
199.18138	0.6
203.08261	0.2
245.04544	0.3
245.08141	0.5
245.18617	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	245.0809
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
51.94234	1.0
52.97964	0.9
53.29765	1.0
54.37143	1.0
55.01875	1.4
55.05501	4.2
65.03930	2.2
65.57723	1.0
67.05510	14.2
69.03416	1.2
71.55883	1.6
72.08130	1.6
76.79137	1.0
79.05479	2.7
81.07036	3.0
83.04956	1.0
83.08588	1.2
91.05491	5.8
93.07032	2.4
94.04147	2.0
95.04965	12.7
95.08595	3.1
96.51009	0.9
97.10158	2.5
103.05453	3.0
105.07021	3.0
107.04955	15.6
109.10156	1.5
111.04443	2.9
115.05445	3.8
117.07022	9.1
119.08569	4.5
121.02873	80.2
121.10165	1.0
123.04414	1.3
125.09634	2.8
128.06230	5.0
129.06978	2.2
131.04936	2.5
131.08534	1.5
132.05711	1.6
133.06491	2.5
133.10170	2.1
142.03230	2.2
143.08557	3.4
143.11879	1.0
145.06491	77.7
145.10217	1.4
146.07071	2.0
147.08054	15.7
152.06276	1.4
153.06972	3.4
155.06058	4.7
157.06468	7.1
157.10185	0.9
159.08110	1.1
159.11681	1.4
160.05186	3.2
161.06000	1.7
161.09630	6.3
169.06444	1.1
170.07254	1.8
171.08069	16.0
171.11597	1.3
173.06000	13.1
173.13181	1.1
174.06769	16.1
175.07561	18.9
181.06401	1.1
185.09564	1.1
187.07484	1.2
188.08304	1.9
189.09100	6.4
189.11169	2.0
191.07025	1.2
199.07509	7.5
201.05469	24.9
216.07858	4.6
217.08612	100.0
218.09018	0.9
227.18002	1.9
234.01501	0.9
245.08092	77.3
245.19084	3.6
245.22754	2.0
245.26697	4.2
246.08337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.3
57.87117	0.3
58.99835	0.3
65.78240	0.2
69.03429	0.6
70.37898	0.8
77.00883	0.2
81.03394	0.4
82.99854	0.8
85.01429	0.3
86.47044	0.2
86.99342	0.4
94.99839	0.3
97.02879	0.9
98.97572	0.5
99.04449	0.3
101.00879	7.8
102.00986	0.2
102.96867	0.8
103.00658	1.6
103.02467	0.3
105.00401	0.4
113.00880	1.1
115.02423	1.0
119.01926	22.0
120.01999	1.8
120.97865	0.5
121.01666	6.2
121.02298	0.2
121.03445	0.3
124.01311	0.2
127.02403	0.4
127.03915	0.5
129.00331	0.2
129.03996	0.3
129.66264	0.2
131.01033	0.4
131.01915	4.4
131.05534	0.4
133.03453	2.0
136.99666	0.8
137.02968	4.4
138.03081	0.3
138.98904	0.5
139.02670	1.7
142.03487	0.3
142.98637	0.3
143.01910	6.6
145.03479	2.9
147.01372	0.9
147.05028	0.4
149.02945	0.6
149.06584	0.4
155.00752	0.3
155.01913	1.3
157.02225	0.4
157.03470	6.1
159.05054	0.4
159.12177	0.3
160.99681	1.6
161.02962	23.6
162.03104	0.4
163.04533	0.7
167.01909	0.6
169.03436	0.8
171.05023	0.5
173.02979	4.1
175.04538	4.2
177.00941	1.4
177.09731	0.5
178.01056	1.1
179.00710	22.9
179.03937	1.5
180.00804	0.5
184.04559	0.8
184.64362	0.2
184.99622	0.4
185.02972	8.3
187.04532	1.9
191.03995	1.9
195.03848	0.3
197.01440	0.3
197.03093	1.7
199.00703	0.3
199.04486	1.1
199.11287	0.2
202.02266	0.4
203.00824	1.8
203.04008	8.8
209.02884	0.4
215.04015	2.1
217.05623	0.6
219.01958	1.3
219.03905	3.7
220.02126	0.7
221.01793	26.3
221.05157	1.4
222.01941	1.3
226.05566	0.6
227.00653	2.2
227.03952	1.4
233.05019	1.0
235.03267	0.3
239.98445	0.4
244.03435	0.4
245.01839	9.1
245.05064	11.9
245.12239	1.6
261.03107	1.1
262.04459	0.3
263.02878	100.0
264.03088	2.1
265.03598	0.3
268.03503	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	243.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24757	0.9
53.00311	1.0
53.03952	1.3
53.68251	0.9
55.01871	1.9
55.05498	1.3
55.93526	1.7
56.05027	4.4
56.96555	1.8
58.06248	0.8
60.05362	2.0
60.05649	27.4
67.05501	3.1
69.03416	3.7
69.07072	33.5
70.06597	81.5
70.91504	2.3
71.04986	3.7
71.93025	1.1
72.08156	17.3
72.93784	1.2
79.05492	1.2
81.03417	1.8
81.07049	2.1
82.06590	2.3
82.89909	0.9
83.04980	2.1
83.06094	1.5
84.04507	81.9
84.08142	8.4
85.02900	1.2
86.09710	100.0
89.10829	1.4
91.05473	8.3
93.07044	2.1
95.01333	4.1
95.04954	3.2
95.08602	1.9
96.04497	1.0
97.02879	2.2
98.06077	1.8
98.09693	1.9
98.97560	2.0
102.05561	1.2
105.07019	1.9
107.04966	1.8
107.08590	1.5
109.06501	1.3
112.08749	6.2
113.07133	2.5
114.10273	2.0
115.05514	2.2
115.08727	4.8
116.07098	35.8
116.98617	2.3
117.06998	1.3
119.04955	22.7
121.06480	1.4
121.10175	2.4
123.08064	1.8
128.06226	1.5
128.11842	7.1
129.06606	5.1
129.10248	1.4
130.05019	1.1
130.09756	13.2
131.08585	1.3
132.04471	1.1
132.10211	44.2
133.09712	4.9
137.05957	1.8
137.09595	1.7
141.05643	1.2
141.06862	7.2
143.08565	1.0
144.05722	2.0
145.06496	10.3
147.04424	6.9
148.41034	1.2
152.10757	1.1
153.06976	2.3
154.01970	5.9
155.02725	4.3
157.06496	1.8
158.09259	16.2
159.04391	1.6
159.08080	2.2
161.09601	0.9
163.11156	1.1
168.03545	1.5
169.06458	6.6
171.08017	2.6
173.05952	5.9
175.11932	12.4
177.00761	1.6
180.01068	1.4
181.06474	2.2
182.15408	1.0
183.08089	1.6
184.05276	8.1
185.05968	1.4
187.03917	1.6
187.07532	3.7
197.03847	11.1
197.06000	40.6
197.12868	31.9
198.11493	1.2
198.16023	10.4
199.07565	3.7
201.05489	4.4
211.07492	1.5
215.07005	17.6
217.29477	1.1
225.12331	2.2
225.14827	1.5
225.16994	1.9
243.04329	13.8
243.06612	14.9
243.10300	6.0
243.13475	7.3
243.18188	85.4
244.02788	1.1
244.06766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1593
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03946	1.3
55.01858	1.8
55.05513	7.6
56.96576	1.5
57.03424	3.2
57.07078	2.2
59.04986	2.5
65.03937	2.0
67.05490	9.4
68.48404	1.4
69.03417	3.3
69.07072	6.4
70.06580	2.7
71.04994	34.4
71.55000	1.3
72.08150	2.4
79.05492	15.1
81.03406	1.9
81.07055	16.9
83.04977	7.5
83.08610	1.7
84.04513	2.4
84.08138	1.7
85.02890	1.8
85.06532	3.9
86.09721	3.2
86.11997	1.2
91.05482	11.8
93.07053	14.8
95.01319	4.9
95.04968	49.3
95.08604	17.3
97.02930	1.5
97.06523	12.6
98.09690	2.2
98.97575	7.9
99.04465	15.3
99.08103	10.9
105.07051	15.9
107.08598	100.0
109.06506	14.0
109.10165	21.1
111.04445	2.6
111.08092	8.3
113.05965	2.1
115.07556	2.5
116.98621	1.9
117.07004	3.0
119.04958	9.7
119.08571	16.2
120.08088	1.4
121.06470	1.8
121.10140	26.3
123.08063	13.7
123.11698	5.4
125.09638	7.3
127.07542	4.0
131.08548	3.3
133.10133	3.8
135.08044	3.3
135.11713	2.6
137.09627	17.7
137.13266	3.5
141.07002	3.9
141.09157	2.8
145.06519	3.1
145.10109	5.1
147.04413	4.1
147.08028	1.5
147.11694	36.7
149.02441	1.5
149.09616	21.1
151.07520	2.8
151.11182	3.9
153.09106	15.1
155.10654	7.6
156.09338	1.5
158.99680	1.9
159.11710	2.3
161.13277	11.6
163.11176	3.9
165.07068	1.4
165.09076	1.6
165.12761	15.1
167.10661	5.3
169.06505	3.8
169.08612	2.6
169.12209	7.9
171.10217	3.6
171.11682	3.1
173.05986	3.4
179.14267	6.8
181.06552	1.7
184.05313	1.5
187.07626	2.6
189.12752	9.7
197.05905	13.9
198.14909	4.5
207.13815	9.9
211.07578	2.7
215.07031	11.4
222.08391	4.3
223.09100	2.8
225.14841	10.5
226.14378	6.8
231.08852	6.1
243.06619	4.6
243.10094	3.5
243.15938	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	241.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.9
55.05519	5.3
55.18064	0.5
57.07084	7.4
67.05511	5.0
69.07077	7.7
69.31868	0.6
70.63065	0.6
71.08623	0.6
72.56733	0.5
79.05496	4.0
81.03421	0.9
81.07073	5.8
83.08617	3.6
85.02910	0.8
91.05491	7.3
93.07062	3.9
93.34515	0.7
95.04953	0.7
95.08620	4.2
105.07039	8.5
107.08591	2.6
109.10171	1.2
112.42573	0.6
115.05453	2.6
117.07028	31.8
119.08591	5.1
121.10152	2.9
128.06229	5.2
129.07014	19.2
131.08582	33.1
133.10156	7.2
135.11780	1.0
141.06987	1.8
142.07809	3.8
143.08577	25.7
144.09322	0.7
145.10126	14.8
147.11690	7.3
155.08551	1.9
156.09325	2.1
157.10150	15.8
159.11708	29.8
161.13249	2.7
169.10136	1.9
170.10887	1.3
171.11702	20.7
173.13280	34.2
180.72911	0.6
183.11708	2.2
184.12463	1.1
185.11609	1.4
185.13277	29.5
186.13742	0.6
187.14824	3.0
191.10762	0.7
197.13190	1.4
198.14030	1.0
199.14839	29.2
200.15359	1.1
209.11717	1.0
213.09181	0.8
213.16415	4.5
215.83517	0.7
241.19530	100.0
242.19923	1.9
252.15338	0.7
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	0.8
67.08105	0.1
71.04969	0.1
71.20103	0.3
71.95276	0.1
72.72042	0.1
76.93819	0.1
82.99880	0.4
98.97582	2.7
99.42177	0.1
100.97177	0.2
101.00880	4.2
101.09996	0.1
102.00911	0.2
116.98618	2.2
119.01920	13.0
120.02065	0.3
122.97800	0.1
134.99783	1.3
137.02940	2.8
139.96495	0.1
140.98822	0.4
142.03551	0.2
148.99942	0.1
153.00859	0.5
154.65109	0.1
156.97478	0.2
158.99873	1.9
165.99617	0.2
173.01202	0.2
175.03050	0.5
177.00952	26.2
177.93417	0.2
178.01093	0.8
178.94322	0.1
179.99086	0.2
182.98317	0.2
182.99690	0.6
189.00644	0.2
189.02428	0.1
191.02394	0.2
193.03987	0.3
195.01987	0.4
197.00671	0.2
198.00009	0.2
199.02972	0.1
200.02582	0.2
201.00909	2.1
201.02527	0.3
215.01814	0.1
217.04106	3.4
219.02002	29.0
219.94479	0.5
220.02126	1.8
221.02196	0.1
225.00841	2.3
225.02774	0.2
227.99635	0.2
233.03522	0.2
234.00575	0.4
237.02881	0.1
237.95538	0.2
237.98727	0.3
242.03572	0.4
242.96109	0.5
243.01987	9.8
260.04526	0.2
261.03055	100.0
262.03198	2.3
263.03442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.01856	9.0
55.05503	14.0
55.30726	6.4
56.79049	6.3
57.03430	14.8
57.07082	11.4
58.40889	5.8
67.05498	27.9
69.03444	42.1
69.07067	13.7
71.01357	6.2
71.04970	11.9
71.15018	10.8
71.15379	9.1
79.05507	16.0
81.03418	10.1
81.07064	49.7
83.04989	48.3
84.21085	5.9
85.02917	26.3
87.15652	7.5
91.05470	21.9
93.07030	9.1
95.04936	6.7
95.08640	19.2
97.02897	21.9
105.07047	36.6
107.04930	17.8
107.08595	22.9
111.04453	20.8
119.08574	31.6
121.10152	9.0
123.11706	18.1
125.05997	7.7
129.07050	9.6
131.08612	12.4
133.06473	7.3
133.10146	22.6
135.04398	15.5
137.02313	7.6
141.06990	7.0
143.08525	7.8
145.10127	23.8
147.11697	32.8
154.07840	6.8
157.10130	16.6
159.11729	23.2
161.13252	6.6
165.12787	14.2
173.13324	16.4
183.11736	9.7
185.13274	14.4
187.14915	10.3
193.12344	9.1
201.16365	7.0
225.16396	7.9
229.14299	7.1
243.13812	20.7
243.17467	21.8
243.21130	100.0
243.28784	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1799
Annotation	Putaminoxin D
Peak:m/z	Relative Intensity
53.03960	1.6
55.01873	1.0
55.05508	5.4
56.02641	0.9
57.07075	1.7
59.05006	0.8
65.03941	1.1
67.05508	27.2
69.07071	4.3
71.04995	100.0
71.08661	0.9
71.55640	0.7
79.05496	12.5
81.03407	0.9
81.07061	39.8
83.04988	1.7
83.08603	2.8
85.06551	6.6
88.95509	0.7
91.05489	8.9
93.07044	25.7
95.04959	3.1
95.08048	1.5
95.08608	18.3
97.06538	3.9
99.08089	2.7
105.07037	5.9
106.86483	0.8
107.04996	0.8
107.08594	8.6
109.06517	2.7
109.10164	1.5
111.08106	2.2
117.07018	9.4
119.08575	3.3
121.10139	3.1
129.07024	3.8
131.08572	9.4
133.10136	7.4
135.08081	2.3
135.11707	16.7
143.08574	3.6
145.10120	2.8
149.13268	9.6
156.09492	1.0
157.10136	4.5
159.11707	21.0
163.03824	0.9
169.10277	1.0
171.11674	4.0
173.85994	0.8
176.35883	0.8
177.12733	8.3
185.13322	3.7
199.14864	3.0
209.15343	2.6
241.08766	2.0
241.12283	1.9
241.15787	2.2
241.19568	15.1
242.19901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46647	0.3
50.62460	0.2
56.05027	0.4
58.06605	17.7
61.02904	0.4
62.43982	0.3
69.03434	0.5
70.06597	4.1
70.30287	0.3
70.30629	1.0
71.04973	0.5
71.86486	0.2
72.08161	1.4
81.03405	0.5
81.04538	0.3
84.08151	10.5
85.02911	0.3
96.04522	0.5
97.02888	0.4
98.06061	0.3
98.09692	1.6
98.21471	0.4
100.11246	0.5
110.07153	0.7
114.05511	0.5
119.01921	0.7
121.34624	0.3
124.07584	0.4
126.05530	0.7
126.09133	0.4
128.10738	3.0
134.06013	0.8
136.06154	0.6
137.06523	0.6
144.10185	0.9
152.07034	1.1
152.10756	0.4
161.02899	0.3
164.07048	1.3
168.10205	1.0
170.09947	0.3
196.09703	6.1
213.16124	0.4
234.32561	0.3
234.35301	0.3
234.86188	0.4
236.07527	0.4
241.15483	100.0
242.09212	0.6
242.15852	1.3
250.95314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.10143	0.2
51.03282	0.2
55.05497	0.2
55.73122	0.2
56.96555	0.4
58.06604	17.2
69.03458	0.3
70.06604	2.8
71.05008	0.3
71.51492	0.5
72.08148	0.9
81.03423	0.8
82.54544	0.2
84.08146	10.0
84.10107	0.2
97.02869	0.3
98.06067	0.4
98.09680	1.2
98.97577	0.8
100.11260	0.5
101.56612	0.3
109.23737	0.2
110.42591	0.2
114.05525	0.6
114.43028	0.3
116.07099	0.4
116.98594	0.4
119.01891	0.3
126.05558	0.4
128.10733	3.9
134.06033	0.3
144.10182	1.4
152.07101	0.4
155.43333	0.2
168.10222	0.9
196.09708	5.3
198.11246	0.2
213.15962	0.5
241.15483	100.0
242.15709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
53.54268	0.9
55.01868	4.6
55.05513	10.9
57.03426	3.4
57.07084	1.4
65.03939	1.1
67.05509	18.8
69.03423	2.0
69.07071	6.6
70.95951	2.2
71.04984	3.3
77.72323	1.0
79.05498	25.5
81.03413	3.3
81.07063	17.4
83.04987	4.3
83.08638	8.5
85.02898	1.3
85.06543	1.9
91.05482	8.0
93.07049	30.0
95.04977	5.8
95.08612	36.2
97.02898	4.6
97.06526	3.0
99.04451	4.3
105.07031	6.2
107.04959	9.3
107.07890	1.4
107.08608	21.8
109.10163	3.1
111.04446	2.3
117.07059	9.9
119.08569	8.5
121.06499	5.9
121.10152	12.2
125.05960	2.5
129.06958	1.6
130.07751	1.8
133.10147	1.9
135.08089	2.3
135.11700	43.9
143.08551	2.7
145.10132	25.1
155.08580	1.3
163.11197	60.2
171.11653	2.1
181.12268	13.5
185.13284	1.4
190.23799	1.0
199.14865	1.5
203.90288	0.8
209.11630	1.5
227.12794	100.0
228.13277	1.3
241.08792	1.5
241.12231	1.8
241.19713	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	240.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28918	0.4
52.15849	0.4
55.01874	0.5
55.05509	2.9
57.03436	1.1
57.07076	7.0
59.05006	0.7
67.05510	3.0
69.03434	1.6
69.07068	2.6
70.04078	100.0
70.06588	1.7
71.08627	1.5
71.54852	0.6
72.08160	0.6
79.05490	2.4
81.03426	0.5
81.07062	1.5
83.04989	1.1
83.08611	2.9
85.06558	0.7
87.04476	1.0
87.08112	3.1
89.44784	0.4
91.05482	1.8
93.07043	0.7
95.04982	0.8
95.08612	2.8
97.02899	1.5
97.10191	2.3
98.79386	0.4
99.08090	1.7
105.07039	1.1
107.08595	9.2
109.06499	0.7
109.10147	1.1
113.06021	0.7
125.09636	5.7
135.08011	2.1
137.03362	0.4
143.10681	1.5
152.07071	0.5
153.09074	0.6
166.12241	0.6
194.12881	6.7
196.16969	9.9
204.11288	2.3
222.12427	2.6
240.13434	74.7
240.19560	6.7
241.13794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1596
Annotation	Salbutamol
Peak:m/z	Relative Intensity
53.07929	0.8
55.01877	8.5
55.05501	1.4
56.05018	1.1
67.05488	3.3
68.05035	3.9
69.03422	1.9
69.05804	0.9
69.06729	1.1
69.07072	15.6
70.02935	2.4
70.06203	0.8
70.06598	20.8
71.05000	23.8
71.44951	0.9
72.04525	0.8
79.05505	4.1
80.05004	1.5
81.03427	1.0
81.07068	6.4
82.06570	2.1
83.04977	1.8
83.29310	0.8
84.02122	1.7
84.04482	1.3
84.08130	1.5
84.63325	0.7
85.06515	0.8
85.67841	0.7
86.06049	3.9
91.05448	1.3
93.07051	1.8
94.06576	1.5
95.04976	1.4
95.07339	0.9
95.08595	2.0
96.04494	3.0
96.08135	22.9
96.08774	1.4
97.02899	1.4
97.05285	1.7
97.06534	2.1
98.06030	1.2
98.09697	8.5
105.07021	1.0
106.06571	7.0
107.08646	3.5
108.08128	6.8
109.06554	1.3
109.10146	2.5
112.07618	1.0
120.08108	1.9
122.06035	11.7
122.09603	1.1
124.07603	71.4
124.11222	1.7
125.08450	3.5
126.09196	1.8
134.06039	1.6
135.08046	1.2
136.07568	1.6
137.09595	1.3
140.07077	15.5
148.07594	1.1
150.12802	5.5
152.07133	3.5
152.10701	2.0
153.07877	10.6
153.09042	1.0
154.83218	0.7
176.14383	4.2
185.13300	0.8
194.15416	10.7
197.06082	1.0
198.13609	0.7
204.13834	10.7
222.14911	100.0
223.15099	0.9
224.10004	0.7
236.56026	0.7
240.12401	0.8
240.15967	5.3
240.18083	1.2
241.08594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00306	1.0
53.03931	0.6
55.05515	22.3
57.03419	0.5
57.07078	100.0
65.03928	2.1
67.05508	50.9
69.07072	23.6
69.33118	5.8
71.08636	64.1
72.04510	1.5
79.05487	4.6
79.76505	0.6
81.07060	55.0
83.08622	27.9
85.06538	4.0
85.10190	30.6
85.10723	1.2
88.02232	0.6
89.06001	1.1
91.05489	0.8
93.07056	3.7
95.08610	73.4
97.10176	13.3
99.04485	0.8
99.08066	2.4
109.10159	25.7
111.11713	1.5
119.08568	1.2
123.10828	0.7
123.11718	9.7
125.13281	0.7
129.06995	2.7
131.08577	1.2
137.13266	1.7
141.06967	2.4
143.08522	1.3
151.14873	0.6
154.07758	0.7
155.08600	3.5
157.10115	2.3
159.11624	1.3
165.16382	1.0
167.08546	0.8
169.10176	3.8
171.11661	2.7
174.85129	0.6
181.10103	1.4
183.11734	5.1
197.13231	4.9
213.58881	0.6
239.08865	1.3
239.17966	14.1
239.23586	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.5
53.03952	0.9
55.05515	20.7
57.07079	100.0
57.11641	0.5
65.03948	1.6
67.05509	50.9
69.07072	23.9
69.07458	0.9
70.09251	2.1
71.04993	1.4
71.08636	57.5
79.05497	4.7
81.07063	54.0
83.08624	26.7
85.06544	3.6
85.10187	31.1
89.06027	2.6
91.05444	1.2
93.07057	3.1
95.08612	72.5
97.10174	12.8
99.04443	2.3
99.08089	2.7
99.11733	0.6
101.08160	0.6
105.07014	0.6
109.10161	24.9
111.11744	1.8
119.08610	0.6
121.06561	0.6
123.11722	8.3
123.12601	0.8
133.08565	1.0
137.13231	2.6
139.14767	0.5
143.08447	0.4
151.14787	1.1
169.10141	1.0
176.71941	0.5
182.10873	0.6
183.11644	1.6
197.13249	1.1
221.13147	0.7
239.08917	2.3
239.18166	2.7
239.23700	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	239.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89811	0.3
55.01885	0.5
55.05514	2.1
56.05037	2.5
57.07065	1.0
60.08169	0.4
61.13729	0.3
61.71621	0.3
62.28848	0.3
65.03936	1.7
67.05508	1.5
68.05028	0.9
69.03436	0.4
69.07064	1.0
70.06606	2.4
70.72661	0.8
71.04987	0.9
71.08654	0.4
72.08158	1.9
79.05495	0.5
80.05029	0.5
81.07036	1.6
82.06581	0.8
82.44146	0.3
83.08617	1.4
84.04509	48.7
84.08144	2.4
85.02887	0.6
89.06037	0.6
91.05495	0.6
92.05010	5.4
93.03405	0.7
93.07040	0.4
95.04977	0.4
95.08606	1.0
96.04507	0.4
96.08123	0.7
97.02888	0.5
98.06060	0.5
102.05542	0.8
103.05427	0.5
105.07048	0.7
107.04955	0.4
107.08653	0.4
108.08121	1.5
109.10181	0.7
110.06049	100.0
111.04455	1.2
112.74504	0.3
114.05532	0.6
114.09127	0.4
119.08587	0.4
120.04482	0.5
120.99599	0.7
122.06041	0.4
124.07604	1.9
126.09160	0.6
129.07077	0.4
130.05008	13.5
131.04933	1.0
132.04431	0.4
133.10092	0.3
136.07593	0.6
137.05960	1.0
138.06377	0.6
142.08670	0.3
147.04417	0.5
147.10101	0.3
151.03893	0.9
158.06018	1.3
169.08563	0.5
175.08673	1.0
176.07056	2.8
177.05473	0.6
191.06982	0.6
193.13345	0.4
204.06540	0.5
221.04356	0.5
221.09152	0.6
222.07666	2.6
222.11253	0.6
239.08617	0.9
239.10475	1.3
239.13911	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	238.1438
Annotation	Gigantine
Peak:m/z	Relative Intensity
55.05495	0.5
60.08167	33.6
65.03929	0.4
69.07058	0.4
70.06590	1.3
70.15059	0.9
70.15446	0.6
72.08157	1.1
79.05481	0.5
81.07051	1.2
84.04539	0.3
84.08147	1.0
85.59261	0.4
87.04507	0.3
91.05491	4.2
94.04176	0.4
102.98546	0.3
103.05463	0.7
105.07107	0.3
106.06564	0.7
107.04973	1.9
107.08625	0.4
109.06498	1.3
115.05500	0.3
119.04946	19.6
120.08125	1.2
121.02896	0.8
121.08445	1.6
122.03645	0.5
124.38480	0.4
131.04964	0.4
136.07603	0.4
137.05980	100.0
138.06367	0.8
146.06010	0.8
147.04413	13.6
147.06332	1.3
151.06479	0.4
151.07506	2.5
166.08601	0.3
167.09018	0.7
178.08627	0.5
179.07043	31.6
180.07350	0.4
192.06464	0.4
192.10176	0.8
207.74197	0.4
238.10617	1.0
238.14380	29.4
239.09009	0.4
239.14163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03946	6.8
55.01865	6.7
55.05264	4.3
55.05516	72.0
55.86650	2.8
57.03428	6.8
57.07080	4.4
57.74923	2.6
59.04998	3.9
65.03937	5.4
67.05514	27.2
69.03429	9.3
69.07088	21.2
69.25085	28.5
71.05003	34.2
72.08157	6.0
79.05501	26.8
81.03390	3.2
81.07059	70.8
83.04990	100.0
83.08621	5.9
85.06558	10.9
91.05482	33.2
93.07051	41.8
95.04958	18.7
95.08613	36.2
97.06527	23.1
99.04458	3.2
99.08089	8.9
103.05511	3.4
105.07030	39.5
105.93108	2.7
107.04961	6.8
107.08605	38.2
109.06540	20.3
109.10163	41.9
111.08067	12.6
115.05445	4.7
117.07037	9.7
119.08598	19.2
119.09320	3.5
121.06529	6.9
121.10159	54.1
123.04420	3.4
123.08069	11.4
123.11719	29.6
125.09682	5.8
127.07527	4.7
127.11204	10.1
129.07062	3.3
131.08580	12.9
133.10143	77.7
134.03651	3.2
135.04410	5.6
135.08054	9.8
135.11703	21.1
137.05995	7.4
137.09647	6.2
137.13260	6.3
139.11208	25.6
145.06586	3.1
145.10146	26.2
146.35185	3.3
147.04384	4.9
147.11690	18.1
148.05205	3.3
149.02393	20.7
149.05960	5.3
149.09587	6.5
149.13271	18.4
151.11189	48.6
153.12753	8.4
159.11729	31.5
161.06050	4.1
161.13225	8.2
163.03903	3.7
163.07564	5.6
163.11177	11.6
163.14861	5.6
165.05458	4.1
173.06013	3.8
173.13297	7.5
175.14842	4.0
177.05557	3.6
177.12819	4.2
178.06290	5.5
181.08557	3.6
191.03561	3.1
191.07047	16.2
191.14392	6.0
191.18027	6.6
193.04987	14.1
201.12929	4.2
201.16415	23.3
207.02895	5.1
209.08116	4.4
219.06566	7.3
219.10280	5.9
219.13933	7.1
219.17464	32.1
222.05266	8.5
237.07465	50.5
237.14694	5.4
237.16522	3.0
237.18513	55.2
237.22087	5.2
250.16232	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	238.1074
Annotation	Cotarnine
Peak:m/z	Relative Intensity
53.50187	0.4
55.01883	1.2
55.05512	2.1
56.05037	1.2
56.96566	2.3
57.03426	0.5
57.06820	0.4
60.04518	0.8
60.08166	2.5
61.02927	0.5
67.05519	1.4
68.05027	0.4
69.03437	1.3
69.07064	0.6
69.78138	2.2
70.06596	12.2
72.08160	5.3
73.02930	1.1
73.08511	0.5
74.00675	0.6
74.02436	0.5
74.06069	0.8
79.05497	1.4
81.03427	0.6
81.07053	1.6
82.06585	0.6
83.04951	0.5
84.04517	1.8
84.08151	3.9
85.02896	1.4
86.09723	1.9
87.04459	0.6
88.03992	6.1
91.05502	0.8
97.02903	1.2
98.06046	1.1
98.97616	1.2
99.08176	0.7
102.05561	0.7
102.98527	1.2
103.05524	0.9
106.06562	2.5
107.04977	1.5
108.08083	0.9
110.06056	1.3
111.55001	0.6
112.07597	1.5
114.05566	2.6
116.07119	1.6
116.98589	0.7
117.06998	0.7
118.06542	1.1
119.04942	1.5
120.99579	2.2
121.02843	0.9
121.06554	0.6
122.02761	0.7
122.06084	0.6
123.04386	0.6
123.18193	0.5
124.07605	1.0
129.10269	0.8
130.08664	1.5
131.04964	0.7
132.04466	1.1
132.08101	1.3
134.05968	0.7
134.99704	0.6
135.04480	0.9
135.06773	0.6
136.05128	0.6
136.06190	0.8
136.07585	0.6
137.05981	8.6
138.02246	1.1
146.06018	19.6
146.09666	1.8
147.04431	1.5
147.06380	1.5
148.99057	0.5
149.05934	1.2
150.05508	1.5
151.07547	5.2
152.07040	0.9
153.05539	0.5
154.94215	1.0
160.06317	0.5
160.07587	2.2
163.06258	0.9
163.07555	0.7
164.07043	3.4
172.95175	2.9
174.05537	1.3
176.07100	0.8
177.05498	0.5
177.07840	1.1
178.08644	100.0
179.07069	2.8
179.09279	1.2
190.08644	2.2
190.43935	0.6
190.96320	0.9
192.03165	0.6
192.06516	2.0
192.08649	0.9
192.10188	14.0
194.11777	1.2
206.08104	0.9
207.08246	0.7
208.06105	1.0
208.09709	0.5
214.96320	0.6
219.01791	0.6
220.06102	1.5
220.08064	0.8
220.09853	0.6
220.13353	1.0
221.12915	0.5
223.08408	60.3
224.08780	0.5
238.10739	92.3
238.14613	2.4
239.11043	1.4
239.13916	0.9
252.10124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
53.03946	1.2
53.05190	0.7
55.01865	1.1
55.05510	7.4
57.07069	2.8
65.03951	1.4
66.33691	0.7
67.05509	42.7
69.07077	4.6
70.76023	1.0
70.76352	1.5
71.04986	0.9
79.05498	13.7
81.03417	0.8
81.07061	100.0
83.04977	2.6
83.08612	4.1
85.06561	1.7
91.05479	4.9
93.07049	12.1
95.04980	2.5
95.08613	68.3
97.06551	2.9
97.10175	0.7
101.48886	0.8
103.00327	0.7
105.07046	3.5
107.04958	1.1
107.08596	6.6
109.06556	1.1
109.10168	24.0
111.04481	2.2
111.08110	2.0
117.07037	1.7
119.08601	2.9
121.10149	7.9
123.08102	1.8
123.11702	5.6
125.09660	1.3
129.67152	0.7
130.19304	0.7
131.08594	2.3
133.10147	2.2
135.08025	1.4
135.11705	6.0
136.08803	1.5
137.09639	1.6
137.13220	0.7
145.10118	3.7
147.11732	1.0
149.02423	1.0
149.09657	2.3
149.13300	1.3
153.09206	1.0
159.11771	2.5
163.11220	2.9
167.10776	0.9
173.13368	1.0
177.12805	1.3
177.16428	2.4
178.07939	0.7
179.08510	1.2
179.10692	1.3
181.10158	1.2
181.12292	2.4
191.10741	1.2
191.18059	1.0
192.06596	1.2
193.10370	0.8
195.11777	2.5
195.13843	1.5
201.16412	4.2
207.11749	2.5
208.12610	0.9
209.11775	1.9
219.17529	3.0
222.14101	2.4
237.07494	0.9
237.12733	1.2
237.16429	4.7
237.18483	17.6
237.22269	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	237.0872
Annotation	N,N-Dihydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05513	0.5
56.96570	0.3
59.85546	0.2
67.05482	0.2
68.55784	0.2
69.87346	0.8
69.87753	0.5
70.06586	0.6
70.68493	0.2
72.08164	2.1
74.02448	4.7
84.08172	0.3
84.96044	0.2
91.05494	0.7
94.06547	0.3
95.04985	0.3
98.97586	0.4
103.05493	0.4
118.06532	1.3
121.02885	0.4
126.97789	0.2
128.04987	3.7
130.06578	0.5
132.04430	0.3
137.05974	0.3
146.06020	100.0
147.06348	1.4
149.02353	0.6
158.05998	0.3
191.08267	0.4
197.55557	0.2
219.07709	0.6
220.09558	0.3
223.10783	0.2
237.08771	2.1
256.81473	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	236.113
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
55.01863	1.1
55.05490	2.5
56.05033	1.4
56.96566	9.2
57.03421	1.8
57.07076	8.0
58.07387	1.1
59.04987	3.4
60.04527	40.2
61.02919	1.4
67.05508	6.3
69.03416	4.1
69.07050	3.8
69.74488	5.4
70.02953	1.0
70.06599	9.4
71.04993	1.2
72.08158	13.6
73.02914	2.1
73.06536	2.6
73.08495	1.3
74.02410	1.6
74.06075	1.7
79.05480	1.1
80.05009	1.3
81.03420	1.9
81.07042	1.7
82.05318	1.0
82.06582	1.1
83.04990	1.1
83.06109	1.2
84.04497	2.1
84.08141	5.6
85.02891	4.6
85.06544	7.9
85.83198	0.8
86.02423	3.1
86.06030	2.2
86.09713	3.1
87.04466	1.4
88.03978	4.1
91.05473	1.8
94.06553	2.4
95.04971	7.1
95.06093	3.0
97.02896	4.5
97.06554	1.0
98.97594	7.6
99.04448	1.0
102.03731	1.4
103.05430	1.3
103.07600	4.6
106.05032	100.0
107.04921	1.6
107.06070	2.0
108.08133	1.2
109.02840	1.0
110.07166	6.5
111.07500	4.1
112.07589	2.8
113.05995	1.3
114.09190	1.1
116.03444	1.2
116.98627	4.1
119.04989	1.1
120.01180	2.3
120.05543	1.2
120.08070	2.8
121.02821	1.5
121.06498	1.8
121.07603	1.6
122.86497	0.8
123.04462	2.3
127.03918	1.3
128.98596	1.9
129.10155	1.0
130.08644	2.9
131.04906	2.2
132.02950	5.9
134.06030	2.9
134.99680	3.0
135.06401	1.2
136.07523	0.9
137.05969	9.9
144.08018	1.3
145.06192	0.9
146.06012	15.2
147.03279	1.4
147.04422	2.1
147.05801	1.5
148.07585	1.1
150.07620	1.1
150.09030	0.9
152.07068	1.1
154.08614	3.8
155.02876	1.0
155.04659	8.9
158.99623	1.3
161.04781	2.2
162.05493	2.8
163.12305	12.4
164.05191	2.9
166.06067	1.7
166.55492	0.9
172.09694	2.6
174.11295	1.0
175.06259	1.3
177.00703	2.3
180.11018	2.2
182.03262	1.0
186.04362	1.1
190.05862	0.9
190.08653	3.9
190.10706	2.1
191.05833	1.3
200.09210	6.1
208.09608	1.2
212.04385	1.5
213.00627	2.7
218.06290	1.6
218.08128	10.6
218.10239	9.9
227.06729	1.5
231.01727	1.7
236.07083	1.6
236.09138	18.5
236.11436	19.5
236.17145	11.7
237.02792	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.18921	3.0
55.05516	20.2
57.03429	12.6
57.07080	45.6
59.05013	3.5
61.09090	3.4
67.05505	34.5
69.07067	29.5
71.04991	5.7
71.56754	3.7
77.48009	3.1
79.05501	18.6
81.07054	59.8
83.08637	8.5
85.06555	4.5
86.09702	18.6
91.05488	18.4
93.07047	38.1
95.05000	6.8
95.08612	81.0
97.06527	3.8
97.10158	10.9
104.07111	3.7
104.79139	3.6
105.07030	50.9
107.08588	47.4
109.06515	9.2
109.09470	3.3
109.10161	93.6
111.08092	10.0
111.11754	5.3
117.29557	3.3
119.08582	47.8
121.06546	4.8
121.10142	44.5
123.04459	4.7
123.08066	4.6
123.11704	35.0
125.09561	7.5
133.10133	35.8
135.11725	18.3
137.13307	9.8
139.11194	7.4
147.11693	37.8
149.13235	13.3
151.14819	5.1
159.11710	5.6
161.13269	27.4
163.14853	12.9
175.14857	19.5
177.16344	25.5
179.10626	24.2
189.16393	14.2
191.17978	8.9
193.10193	6.2
196.67891	3.8
205.10207	5.3
217.16072	4.4
217.19524	82.6
220.12401	13.0
235.14783	17.4
235.16959	100.0
235.20505	73.5
235.22748	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	235.1693
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03949	3.3
55.01861	3.8
55.05511	7.3
57.03417	1.8
57.07082	18.8
59.05010	2.3
66.20271	1.3
67.05516	16.4
69.03423	4.7
69.07072	9.2
69.79987	5.3
70.79786	1.3
71.04988	3.8
72.10463	1.1
79.05502	23.7
81.03404	2.1
81.07063	19.7
83.04980	4.1
83.08613	4.5
85.06548	4.6
86.09679	4.4
91.05489	31.9
93.07054	49.2
95.04967	11.2
95.08614	20.8
97.06525	8.9
105.07040	32.1
107.04992	1.6
107.08608	36.4
109.06538	8.2
109.10173	13.3
111.08074	4.3
117.07047	7.3
119.08591	82.6
121.06518	3.3
121.10155	24.0
122.89574	1.3
123.04456	1.8
123.08065	6.4
123.11688	4.9
128.06245	2.1
129.07042	3.6
130.07829	1.8
131.08583	16.6
133.06523	2.7
133.10144	45.5
135.08064	18.0
135.11722	6.6
137.09612	5.7
139.03845	1.2
139.11111	2.0
142.07799	5.2
143.08580	8.3
144.09380	2.5
145.10126	13.3
146.07224	1.9
147.08073	7.6
147.11708	20.9
149.09644	3.2
149.13274	2.7
151.11128	7.6
156.09358	3.0
157.10138	12.5
158.10913	2.2
159.11713	13.2
161.09634	29.6
161.13251	4.0
162.10345	1.7
163.07465	1.4
169.10248	1.7
170.60445	1.4
171.11699	7.9
173.13275	17.1
175.11197	14.7
175.14819	18.5
177.12758	6.3
178.92000	1.4
179.10698	16.6
184.12473	3.2
187.11195	3.3
187.14828	3.2
189.12741	3.4
189.16391	17.1
191.14330	3.3
193.15862	2.4
199.14856	13.9
202.13486	1.9
217.15898	83.5
218.16281	1.8
235.09599	1.9
235.16936	100.0
236.17215	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	4-Hydroxy-1,8-epi-isotenerone
Peak:m/z	Relative Intensity
55.05499	5.8
57.07079	30.2
59.04992	2.0
67.05508	5.7
69.07058	5.5
69.49613	4.9
69.50032	7.7
79.05498	67.3
81.07076	12.3
83.08616	4.1
84.65019	1.8
86.09717	10.5
91.05492	22.9
93.03407	2.7
93.07055	9.0
95.04955	6.9
95.08591	8.5
97.10187	2.1
105.07037	13.6
107.04963	33.8
107.08595	4.5
109.06503	9.2
109.10133	4.0
111.08046	4.0
112.08726	2.5
118.30623	1.9
118.96719	1.7
119.04914	9.1
119.08593	30.6
121.06487	3.3
121.10140	7.3
123.04447	4.3
123.08080	3.3
125.05997	3.1
129.06978	2.5
129.23917	1.8
131.08583	4.6
133.06491	5.4
133.10143	16.9
135.11688	2.0
139.07549	79.7
139.08629	4.2
143.08534	4.0
145.10110	6.2
147.08035	7.5
147.11723	6.6
151.07524	18.3
157.10129	2.9
159.11703	6.1
161.09593	5.0
161.13245	4.2
168.19644	2.4
175.14827	30.2
179.10692	22.1
181.55836	2.0
184.65524	1.7
185.13293	11.5
203.14331	59.8
235.16931	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
50.07437	1.5
55.05508	14.6
57.03426	1.6
57.07079	13.3
59.04984	5.6
65.03950	2.4
67.05504	25.6
69.03416	4.8
69.07082	15.6
69.35600	12.7
71.04996	35.9
73.06542	1.8
79.05497	16.1
81.06586	2.0
81.07058	36.1
83.04984	8.0
83.08612	5.1
85.06537	2.9
86.09718	3.3
87.08087	1.9
89.06035	8.8
91.05484	22.2
93.06484	2.6
93.07048	38.3
95.04972	13.1
95.08611	31.2
97.06519	5.8
97.10160	3.2
98.21590	2.2
99.08060	2.4
99.78344	1.4
103.05447	2.2
105.06305	2.7
105.07033	56.1
107.04926	1.8
107.08598	91.3
109.06504	12.6
109.09471	3.0
109.10161	45.4
111.08076	24.4
113.06008	1.6
115.05431	4.2
115.34996	1.5
117.07005	5.9
119.08582	51.8
121.06513	5.9
121.10149	22.4
123.04398	3.2
123.08045	5.9
123.11711	5.0
125.09625	36.7
127.07506	3.5
127.11243	2.6
128.06192	1.8
129.06995	1.6
131.08560	21.1
133.06493	2.1
133.10123	39.5
135.08060	4.4
135.11693	27.1
137.05942	1.9
137.09576	2.0
137.13313	2.0
137.24614	1.7
139.07504	2.9
143.08557	5.3
145.06462	7.0
145.10126	23.2
147.08069	9.4
147.11691	88.1
148.11993	3.2
149.09622	7.2
149.13237	4.5
150.58218	1.7
151.11186	3.5
153.09111	2.1
153.12740	4.6
157.10121	8.5
159.11691	9.8
161.05911	2.3
161.09578	9.1
161.13248	8.1
163.11200	4.9
165.09096	2.4
165.12791	9.7
171.11736	2.4
173.05977	2.9
173.13312	7.2
175.07568	3.4
175.11227	12.5
175.14839	15.3
177.12717	1.6
179.10696	14.9
189.12772	1.7
189.16382	48.4
190.06268	1.8
191.17908	1.5
193.12218	1.9
193.15863	6.0
199.14803	7.1
217.12520	3.2
217.15887	45.6
217.19261	2.9
235.09637	3.3
235.16925	100.0
235.20692	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	234.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83335	28.6
57.12792	25.1
70.06586	27.1
70.54597	82.7
72.08150	79.8
84.08140	44.2
87.55561	25.6
98.09721	100.0
100.20213	28.6
103.90247	27.5
113.13065	25.4
140.39407	29.7
146.08145	32.0
217.15631	26.3
234.18181	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
57.03438	2.7
59.02502	0.3
69.34914	2.5
78.49454	0.3
79.05495	0.8
81.07064	4.1
94.04056	1.3
101.78586	0.3
119.03552	2.8
136.06190	100.0
137.04568	2.0
137.06590	0.4
148.06186	0.5
148.53082	0.2
190.10872	2.6
234.13507	68.8
235.13750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.149
Annotation	4-(2-ethyl-6-methylphenyl)-5-methylmorpholin-3-one
Peak:m/z	Relative Intensity
50.51701	0.4
52.20585	0.4
53.03944	1.2
55.05516	2.8
56.05032	0.5
57.07059	0.6
60.91214	0.4
64.12570	0.4
64.56210	0.3
65.03298	0.3
67.05508	3.4
67.66219	0.4
68.05037	4.3
69.07046	1.2
69.32854	3.5
70.06595	12.4
79.05493	10.3
79.05957	0.6
80.05012	1.1
81.07059	2.1
82.06568	1.0
82.12640	0.4
84.08139	0.8
91.05486	16.3
93.05789	1.2
93.06473	0.8
93.07046	15.6
94.06560	1.0
95.04957	2.0
95.08615	3.3
96.08134	2.4
97.06538	0.6
98.21549	0.6
100.07617	10.5
103.05455	1.3
103.91197	0.4
105.06393	0.6
105.07041	6.8
106.06552	1.6
106.07311	0.5
107.07359	2.1
107.08587	1.8
108.08141	3.1
109.10151	0.6
114.05536	7.1
115.05469	0.8
116.07049	0.5
117.07032	4.4
118.06539	1.4
119.08584	33.5
120.08119	2.2
120.08808	0.5
121.10134	3.4
122.09669	1.0
122.10500	0.4
128.07079	7.6
130.06494	0.6
131.08594	1.0
131.60941	0.4
132.08075	1.3
132.08949	0.8
133.08835	0.9
133.10117	2.3
134.09628	2.7
135.08044	0.5
136.06152	1.2
137.04726	3.4
137.05653	0.5
140.07076	0.6
143.08534	0.5
145.10123	1.3
146.09583	2.1
147.08072	0.6
148.11154	0.6
154.08641	5.4
158.09587	0.9
159.10454	0.5
160.11197	8.4
161.09650	0.5
161.11993	0.7
162.12761	0.5
164.07074	21.7
165.07922	0.7
168.10181	0.9
172.11215	0.5
173.09535	0.5
174.10132	0.6
174.12778	5.7
176.07994	0.5
178.08661	2.8
185.40283	0.4
188.14328	5.4
192.10168	1.2
204.10191	1.2
205.10980	3.2
206.11784	1.2
206.44405	0.4
216.14145	0.6
218.11766	1.0
232.13359	0.7
234.14896	100.0
235.16972	1.2
241.05869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2263
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
53.03930	1.7
55.05512	14.1
57.07061	2.5
65.03932	2.9
67.05509	99.3
69.07068	13.0
69.23887	3.7
69.24313	4.5
71.08669	0.8
72.89668	0.7
74.66749	0.7
77.03921	0.9
79.05498	29.9
81.03400	0.9
81.07063	100.0
83.04995	1.1
83.08629	9.0
91.05487	9.4
93.07049	35.1
95.04921	2.9
95.08614	92.2
95.96013	0.8
97.10166	3.4
103.05445	1.3
105.04406	1.0
105.07044	7.9
107.04976	4.1
107.08602	18.1
109.06527	1.6
109.10165	40.6
111.08137	1.0
117.07010	4.1
119.08596	5.0
121.06505	3.2
121.09322	1.7
121.10155	30.3
123.11706	16.2
131.08578	5.1
133.10123	4.0
135.08087	2.5
135.11708	21.0
137.09721	1.2
137.13266	9.9
141.07036	1.2
145.06447	1.1
145.10098	5.8
147.08128	1.1
147.11681	2.0
149.05962	1.5
149.09605	1.9
149.12186	1.1
149.13272	12.7
151.14813	5.5
155.08562	1.4
157.10083	1.0
159.08044	1.9
159.11685	5.4
161.09624	1.1
163.03941	2.4
163.07574	1.2
163.11214	2.0
163.14873	4.1
173.09651	2.0
173.13239	2.6
175.11235	1.6
177.04097	0.9
177.05522	11.7
177.09021	1.3
177.16394	2.1
178.06277	10.5
187.11143	2.1
187.14838	2.6
191.07014	3.7
191.10689	1.3
191.14323	1.6
191.17851	1.6
197.13205	1.3
205.12238	2.4
215.10622	2.1
215.14345	1.8
215.17899	3.6
233.07837	1.0
233.11665	9.4
233.15408	14.2
233.18994	46.9
233.22649	77.4
234.19531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	trans-Pentadec-10-en-6,8-diynoic acid
Peak:m/z	Relative Intensity
53.03941	4.1
55.01857	3.2
55.05516	8.3
56.01824	1.4
57.03428	1.4
57.07051	1.4
67.05507	29.2
69.03407	1.6
69.07072	16.0
69.61592	8.7
71.04975	4.3
73.06535	1.6
79.05497	34.5
81.07061	33.7
83.04975	2.6
83.08611	4.7
85.06555	2.2
91.05486	75.6
93.07045	27.2
95.04984	7.9
95.08608	19.3
97.06527	3.8
103.05479	6.3
105.04539	2.3
105.07035	75.9
106.28111	1.6
107.04958	7.9
107.08603	18.0
109.06507	3.9
109.10168	6.4
115.05493	2.0
116.06268	1.5
117.07028	23.6
119.08590	53.5
121.06542	7.6
121.10139	13.3
123.08063	3.1
123.11749	1.9
128.06201	1.5
129.07053	6.9
131.08577	46.5
133.06471	3.8
133.10133	15.0
135.08018	4.2
135.11705	5.3
141.06992	3.7
143.08559	5.5
145.06413	1.7
145.10149	20.3
147.08066	3.1
147.11670	3.8
149.09613	4.9
149.13237	2.1
155.08521	4.8
157.10143	1.9
159.08087	4.2
159.11705	12.2
161.13206	2.2
169.10106	5.3
171.11700	8.9
173.09575	1.4
173.13298	9.2
177.05342	2.1
177.09085	2.3
178.06247	3.7
179.55930	1.4
187.11182	2.2
187.14828	27.9
191.10551	1.4
191.14313	3.0
197.13295	10.6
203.08609	1.5
205.15916	4.3
215.06999	2.0
215.14313	12.7
222.15611	1.3
233.13486	4.0
233.15363	100.0
233.18724	7.5
233.22585	8.0
244.55609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03955	2.9
55.01864	0.8
55.05505	3.2
57.07072	0.5
59.04995	0.6
67.05498	2.2
69.03441	3.4
69.07062	1.6
69.37209	3.3
69.37617	1.4
71.05002	0.6
77.03916	0.6
78.15788	0.6
79.05496	49.8
80.05830	0.6
81.03410	0.8
81.07055	4.2
83.04961	1.7
83.08619	4.5
85.02878	0.6
85.06540	1.0
86.12534	0.5
90.91764	0.5
91.05492	4.8
93.07050	5.7
95.04970	4.5
95.08610	2.4
97.06534	1.2
99.08071	0.9
103.05464	0.9
105.04494	1.0
105.07038	8.7
107.04958	54.4
107.08609	8.9
109.06508	1.4
109.10139	1.3
111.04449	0.7
111.08081	4.7
117.07004	2.0
119.08593	6.4
121.06492	2.4
121.10155	5.8
123.08078	2.1
123.11695	0.5
125.09642	2.8
129.07011	1.3
131.08559	5.4
133.10118	6.6
135.04425	0.6
135.08044	1.7
135.11716	0.8
137.09654	0.8
142.07770	0.9
143.08528	1.1
145.06525	0.9
145.10130	5.2
147.11699	8.1
149.05971	0.9
149.09630	7.5
149.13260	2.7
155.08521	0.6
157.10139	3.3
158.10898	1.3
159.08051	1.6
159.11679	1.7
160.08873	1.6
163.07619	0.6
163.11214	1.2
171.11661	1.0
173.09633	1.8
173.13266	4.9
175.11186	8.8
175.14833	0.7
177.05481	2.8
187.07491	0.5
187.11209	0.8
187.14830	2.2
189.16316	0.7
191.14310	60.9
192.14703	1.0
197.13341	1.4
200.93874	0.7
215.07028	1.0
215.14304	2.1
215.17975	1.1
217.51134	0.6
228.78525	0.6
233.12044	4.0
233.15372	100.0
233.19116	3.0
234.15680	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.9
66.36711	3.4
68.05043	6.0
70.06597	8.6
71.56508	6.5
72.08154	17.5
80.06424	3.8
84.08144	14.2
86.09715	16.4
88.92910	3.4
94.93008	3.2
95.72621	3.1
100.07610	5.3
101.00880	5.9
110.07161	19.9
112.59866	3.2
114.83030	3.2
116.07114	4.9
116.10741	13.9
119.01942	9.8
133.03500	5.3
136.51273	3.6
145.03551	3.5
157.03644	3.6
160.08722	9.0
161.02979	15.6
161.99536	3.6
173.02943	6.3
191.03983	4.3
205.10913	13.8
233.04150	7.7
233.06358	100.0
233.11026	4.6
233.15094	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	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.05039	18.0
57.03439	2.1
58.06604	3.4
70.66601	0.7
70.66944	0.8
74.06084	100.0
75.04475	0.6
84.04513	3.8
84.08165	0.5
86.06071	0.5
86.09711	24.1
101.07156	1.6
104.10748	0.5
124.11113	0.4
132.10213	19.9
142.12309	0.9
143.11800	0.6
169.13438	1.6
173.57973	0.4
187.14410	10.0
187.15953	0.7
189.03477	0.8
206.67169	0.5
215.13916	4.2
233.14969	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
50.76567	0.6
53.03937	2.2
55.01878	0.9
55.05517	3.3
56.05841	0.6
57.07064	1.7
65.03951	0.9
67.05515	4.3
68.39615	0.5
69.03435	5.9
69.07050	2.0
69.75346	3.7
71.04996	0.9
76.87190	0.6
79.05497	48.0
81.07049	4.7
83.04962	2.6
83.08611	4.8
85.02885	0.9
85.06534	2.7
89.86414	0.6
91.05483	9.6
93.07050	7.4
95.04951	5.8
95.08601	2.7
97.06521	1.8
103.05492	0.9
105.04507	1.3
105.07034	13.7
107.04959	45.8
107.08604	10.0
109.06504	2.8
109.10152	1.6
111.04453	0.6
111.08095	4.8
113.05991	2.0
117.07021	4.3
119.07789	1.1
119.08588	16.0
121.06500	2.4
121.10141	6.5
123.04414	0.7
123.08063	1.8
123.11669	0.8
125.09616	2.3
129.06990	2.5
130.07780	1.6
131.08572	13.4
133.06488	1.2
133.10146	9.2
135.08025	3.0
135.11674	1.4
137.09630	5.2
142.07759	2.3
143.08533	2.5
145.06471	2.0
145.09053	1.0
145.10130	14.4
146.10831	0.6
147.06924	1.2
147.08051	15.1
147.11697	14.0
149.09639	7.9
149.13287	3.0
153.09070	1.0
156.09366	1.3
157.10133	7.3
158.07237	0.6
158.10909	2.2
159.08060	1.8
159.11732	4.0
160.08850	2.0
163.07536	1.0
163.11182	4.7
163.14819	0.8
164.69414	0.7
169.10039	1.0
171.11690	2.5
173.09634	2.2
173.13254	9.3
175.11195	21.2
182.10954	1.1
187.07555	0.8
187.11169	0.8
187.14821	5.0
189.12723	6.2
190.13463	0.7
191.03413	1.1
191.14313	57.0
197.13300	3.4
205.15994	0.8
215.07069	0.6
215.14322	7.7
215.17778	0.7
233.15375	100.0
234.15720	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	231.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25220	0.8
55.05510	6.4
57.07066	3.0
61.22113	0.8
65.03978	0.8
67.05182	1.2
67.05508	18.7
69.07069	12.3
70.06586	1.0
70.62132	1.2
70.62480	1.9
76.31319	0.8
79.05490	7.5
79.06955	1.0
81.07059	31.6
82.61230	0.8
83.08620	4.7
91.05480	7.1
93.07047	24.7
95.04941	0.9
95.08614	52.0
97.10140	1.3
105.07039	16.3
107.08598	28.4
109.10159	32.3
111.11671	0.9
119.08579	15.2
121.10150	30.6
123.11710	25.3
124.82063	0.7
131.08528	2.3
133.10132	11.1
134.54477	1.1
135.11700	34.1
137.13228	5.1
141.05519	1.0
145.10133	2.3
147.11696	14.0
149.12169	1.5
149.13268	15.9
151.78326	0.7
155.42412	0.8
157.10146	1.1
161.13258	20.1
163.14864	1.3
172.48561	0.9
173.13286	2.3
175.14833	19.6
188.15591	1.4
189.16393	14.6
190.13074	1.0
203.18057	1.2
213.12587	1.2
231.21089	100.0
232.21490	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	232.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.8
55.05503	5.7
56.05038	3.8
56.96566	26.8
57.03432	4.9
58.06590	3.1
58.96165	2.8
60.04522	4.2
60.05637	3.1
60.24414	1.4
61.02917	5.3
67.05486	1.9
68.05029	3.2
69.03439	8.5
69.07046	3.9
70.06599	62.9
70.98116	1.6
71.04990	6.0
71.06924	4.7
71.53734	3.0
72.08162	38.2
72.96000	1.9
73.02917	5.6
74.06076	5.3
79.05505	2.1
79.59594	1.5
81.03404	5.2
82.06573	6.3
83.06144	1.9
84.04521	10.6
84.07690	2.6
84.08154	37.8
84.96054	2.3
85.02908	12.8
85.06532	2.1
86.09714	67.8
87.04437	1.8
87.10043	2.9
87.10843	1.5
88.03990	4.3
89.10782	3.3
91.05460	1.8
94.06545	2.4
95.04962	1.9
96.08134	1.8
97.02901	11.2
97.06562	8.1
98.06085	8.6
98.09692	2.1
98.97597	18.5
99.04450	3.6
99.97934	2.1
100.07641	3.9
100.97195	4.3
100.97984	4.1
100.99125	2.5
101.00900	15.0
102.00944	4.7
102.05573	2.1
103.02421	1.8
107.04972	2.6
109.02879	1.8
110.06066	10.0
110.07171	7.5
110.97549	1.7
111.41824	1.6
112.04001	1.6
112.07585	3.5
112.99129	1.9
113.05949	1.8
114.09188	3.3
115.02427	4.1
116.07095	4.1
116.98626	15.1
117.98951	2.1
118.03496	3.9
118.98214	4.9
118.99046	3.2
119.01929	58.1
120.01987	15.1
121.01686	4.8
127.03904	4.7
128.07047	3.8
128.98610	4.8
129.10208	6.2
130.05022	4.1
130.06525	3.8
130.08614	2.5
131.00227	2.6
131.01881	7.9
132.02011	3.1
133.03487	5.2
134.03583	2.4
134.06018	1.9
134.99658	7.0
137.00146	2.1
137.02960	20.1
138.03116	3.8
138.09135	2.2
139.02609	2.1
142.03485	2.7
142.08655	28.9
143.01872	3.8
144.06534	2.8
145.01669	2.0
145.03477	4.5
145.04956	2.4
146.03606	3.0
146.99677	3.7
149.01146	3.6
150.03065	2.1
151.04547	2.2
157.03467	6.8
160.06432	1.8
161.01242	3.0
161.02969	8.1
162.03145	5.0
163.02669	2.4
164.04654	1.9
165.00665	1.8
168.08768	2.6
172.04739	2.1
172.09706	6.8
173.02997	4.9
173.06532	2.0
173.10016	3.1
174.53461	1.8
175.02501	1.8
175.04468	2.9
177.00734	2.7
183.53951	2.0
185.03040	2.4
186.00708	2.2
186.09766	41.3
186.11221	3.0
187.04520	4.0
188.12817	2.3
190.02542	8.5
190.98624	3.1
191.02379	2.1
191.04056	7.3
191.07614	2.6
196.08159	2.1
197.06606	2.8
203.03972	2.3
204.10818	17.6
205.10857	3.6
208.08214	3.8
208.99710	2.5
209.02901	2.0
209.04756	2.7
214.03770	3.9
214.09203	41.8
214.10977	3.1
215.07635	3.0
224.08121	2.0
231.97916	2.4
232.08119	7.3
232.10081	100.0
232.16637	5.8
233.05154	3.4
233.08522	2.1
233.10599	3.0
246.11884	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	231.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05514	14.4
57.03447	2.9
57.07078	8.7
67.05514	14.1
69.03436	20.2
69.07072	22.3
69.85702	3.0
69.86095	3.0
71.04987	5.8
71.08632	2.0
72.08143	3.0
74.07336	1.2
79.05495	17.2
81.03415	8.3
81.07064	48.9
83.08623	18.8
85.02927	6.9
85.06551	11.6
87.00826	5.6
87.92363	1.2
91.05487	5.4
93.07049	36.6
93.81837	1.2
95.04971	2.2
95.08611	78.0
97.02890	6.3
97.06541	3.0
97.10188	11.3
99.04447	3.4
99.08121	6.7
105.07032	4.7
107.08601	54.8
107.51668	1.2
109.02887	3.6
109.10164	34.1
109.10915	2.0
111.08088	3.5
111.11705	3.6
117.07033	1.7
119.08575	2.5
121.10149	66.5
123.11703	7.9
125.09646	2.5
127.03903	4.5
129.07065	1.5
132.50995	1.2
135.11697	18.7
137.13248	11.4
137.85176	1.3
139.11200	4.3
141.05460	1.7
143.08531	1.4
145.10077	2.6
149.13297	6.1
151.14864	2.9
153.01845	2.2
157.10107	1.9
161.09616	1.9
165.16443	6.6
177.16393	100.0
178.16740	1.5
183.17462	5.3
185.13326	2.3
187.15128	1.8
195.17456	27.2
213.12793	2.0
213.18587	3.1
231.06645	2.5
231.10033	1.5
231.13914	3.4
231.19415	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	231.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.7
55.01866	4.0
55.05513	18.9
57.03440	5.6
57.07064	10.0
67.05501	15.5
68.99789	4.3
69.03077	6.9
69.03434	100.0
69.07080	21.5
70.06579	7.3
70.84045	10.6
71.04993	13.1
72.08150	25.8
79.05495	18.9
81.03428	48.5
81.07053	46.1
83.04992	6.8
83.08617	16.1
85.02906	45.0
85.06541	11.6
86.09721	5.0
87.00831	18.6
91.05475	16.3
93.07059	37.3
95.04973	4.0
95.08614	69.4
97.02900	25.5
97.06537	15.2
97.10178	5.8
99.04464	27.4
99.08076	7.2
103.07267	4.4
105.03390	5.9
105.07028	18.8
107.08588	47.5
109.02866	17.1
109.10168	35.7
111.11710	4.8
117.07067	5.7
119.08616	7.4
121.10144	62.9
123.11689	11.7
127.03899	35.5
129.07059	8.0
131.08557	3.9
133.10141	11.1
135.04420	4.9
135.11684	20.6
137.13232	9.6
139.11211	4.6
141.06972	5.6
142.07831	5.7
143.08583	9.3
145.05011	4.3
145.06464	6.6
145.10132	10.9
147.08080	5.6
149.13210	7.2
151.14682	3.7
153.01839	8.8
157.10114	12.5
159.11714	6.6
160.05188	5.2
161.05981	4.7
161.09669	6.4
165.16344	5.9
170.10918	4.0
171.11710	10.2
172.10852	4.0
175.07547	7.7
177.14804	6.9
177.16388	80.1
183.17680	5.1
185.07207	7.8
185.13293	10.8
189.12755	4.0
195.17476	20.0
211.93002	5.2
213.09137	5.0
213.12772	10.8
213.16422	4.0
231.06563	19.4
231.10199	14.7
231.13728	25.7
231.17398	7.2
231.19356	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	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03952	0.6
55.01855	0.4
55.05515	10.8
56.05033	0.6
57.05817	1.1
65.43610	0.2
67.05491	0.3
67.72390	0.2
67.96673	0.2
68.99784	0.2
69.03432	2.3
69.07083	0.4
69.89693	0.2
70.06584	0.6
70.84171	0.5
72.08159	100.0
73.08462	0.3
81.03419	1.2
84.08129	0.2
85.02911	1.0
86.06065	0.8
86.09711	6.0
86.10238	0.3
87.00844	0.4
91.05457	0.3
97.02897	0.4
99.00844	0.5
99.04485	0.3
100.07621	1.3
109.02892	0.4
115.05465	1.1
127.03915	0.8
128.06256	0.4
129.07068	0.7
132.10197	3.5
135.04445	0.3
135.08023	0.3
142.07802	0.3
143.04962	0.4
147.04477	0.4
148.17896	0.3
153.01817	0.2
154.12302	0.9
157.06505	0.7
157.10162	0.3
160.05222	0.3
161.05971	0.4
167.08673	0.3
171.04430	0.6
175.07555	0.7
185.05931	0.6
185.16553	1.2
188.04724	0.3
200.10780	0.6
200.12880	1.2
203.07005	1.3
207.05585	0.2
213.05504	0.5
231.02975	1.2
231.06453	2.2
231.14912	1.7
231.17169	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	231.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.8
55.01869	5.3
55.05513	20.2
57.03428	5.6
57.07069	8.6
60.01091	3.2
65.03935	3.6
67.05511	20.9
69.03079	5.4
69.03434	85.9
69.07071	32.6
70.06585	6.8
71.00293	6.1
71.04987	11.0
71.08608	4.2
72.08161	20.9
77.47842	3.4
79.05493	30.7
81.03432	29.6
81.07063	72.1
83.04975	9.5
83.08626	21.3
85.02924	28.5
85.06551	12.3
87.00835	12.2
87.04458	4.6
91.05486	29.5
93.07045	46.9
95.04979	11.0
95.08611	93.5
97.02901	9.2
97.06527	11.0
97.10172	14.6
99.04482	10.8
99.08109	7.8
105.07043	29.1
107.08604	64.2
109.02898	12.9
109.06499	10.9
109.10171	47.6
111.04482	4.5
111.08083	5.8
115.05465	7.7
117.07032	9.9
119.08591	27.0
121.06544	8.2
121.10149	81.2
123.08043	3.9
123.11695	11.9
127.03909	17.3
128.06238	12.4
129.06990	17.1
130.07797	5.2
131.08571	11.2
133.06523	9.9
133.10136	26.1
135.04420	6.8
135.08037	6.1
135.11711	17.5
137.09673	4.3
137.13254	9.1
139.11256	4.7
142.07761	12.8
143.08572	25.1
145.06496	5.1
145.10124	25.3
147.04393	4.9
147.08038	20.1
149.05986	3.6
149.13245	4.7
155.08614	9.5
156.09341	10.5
157.06506	8.3
157.10080	22.3
159.08041	7.1
159.11751	9.7
161.09587	9.1
165.06981	14.3
165.16377	7.2
169.10144	5.3
170.10944	17.1
171.08075	8.5
171.11711	16.5
172.08824	4.5
173.09619	9.3
175.07581	10.0
177.16408	100.0
180.09366	15.0
183.08047	7.9
183.17548	6.1
185.09665	9.0
185.13263	32.2
187.11172	4.0
187.14868	4.2
189.05453	7.8
189.09137	6.3
189.12761	4.7
195.11717	27.1
195.17473	23.3
198.10417	12.0
203.07092	3.8
203.14330	7.5
213.09329	4.0
213.12756	67.5
231.02960	5.3
231.06569	13.1
231.10194	16.5
231.13757	74.5
231.17528	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	231.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.01852	1.2
55.05310	1.3
55.05515	14.8
57.03418	1.5
57.07078	9.4
67.05511	13.0
69.03432	12.2
69.06717	1.9
69.07069	23.3
71.04980	5.3
71.08610	1.4
71.10376	3.0
72.08138	1.6
77.51304	1.1
79.05492	13.8
81.03430	5.8
81.07058	47.4
83.08627	17.3
85.02900	6.6
85.06554	11.1
87.00847	2.3
91.05488	6.4
93.07047	31.5
95.04923	1.7
95.08613	73.9
97.02886	3.5
97.06512	2.6
97.10176	9.4
99.04442	1.5
99.08084	7.1
105.07027	4.0
107.08598	51.2
109.02879	3.1
109.10159	33.6
111.08103	2.6
111.11712	3.4
119.08578	1.8
121.10152	65.3
123.11710	10.8
125.09638	1.9
127.03889	3.8
133.10153	2.3
135.11717	17.9
137.13284	10.0
139.11172	5.0
142.07736	2.2
143.49094	1.2
149.13246	5.3
149.36778	1.3
151.14796	2.4
157.10172	1.3
165.16391	9.2
177.16397	100.0
178.16740	1.4
183.17430	5.1
195.17445	26.1
213.18529	2.6
231.06549	4.6
231.13780	1.7
231.19382	2.2
235.15744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.138
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03939	3.8
55.01865	2.8
55.05502	5.7
63.34299	1.2
65.03941	1.5
67.05495	7.1
69.03432	62.4
69.07063	4.7
70.95306	2.2
70.95628	1.6
71.04969	2.2
79.05499	14.6
80.41917	1.3
81.03432	9.7
81.07060	8.9
83.04975	2.2
85.02907	6.6
87.00844	2.7
87.04478	6.3
91.05486	13.7
93.07029	11.5
95.04963	4.0
95.08630	6.4
97.02899	4.9
99.00797	2.2
99.04459	5.6
100.15491	1.4
103.05483	1.7
105.07039	22.1
107.04952	5.3
107.08595	6.9
109.02888	2.7
109.06545	3.4
109.10148	3.9
111.04475	1.7
115.05447	4.1
116.06237	1.5
117.06998	6.0
119.08589	18.1
121.06499	5.2
121.10180	6.9
123.11692	1.7
125.05911	1.7
127.03902	5.6
128.06206	10.2
128.54939	1.4
129.07021	10.0
130.07770	3.5
131.08582	10.1
133.06511	3.8
133.10135	74.0
135.04430	1.6
135.08112	3.1
135.11736	2.2
141.07004	5.5
142.07779	10.5
143.08559	18.1
145.06482	5.3
145.10121	20.2
147.04373	1.4
147.08057	3.3
147.11674	3.4
153.07024	4.0
154.23222	1.4
155.08559	9.2
156.09357	10.8
157.06499	5.3
157.10133	28.4
159.08061	3.7
159.11684	4.8
160.05177	1.6
161.05907	1.9
161.09593	2.4
161.13281	2.2
165.07004	14.0
167.08583	1.8
169.10123	2.6
170.07283	2.3
170.10915	20.8
171.08076	12.7
171.11684	24.6
172.08794	3.0
173.09592	2.7
173.13214	1.5
175.07558	4.1
175.11043	1.5
175.14726	1.7
179.08531	2.6
180.09334	21.7
183.08012	12.3
185.09683	5.3
185.13246	27.3
186.13712	1.3
187.14836	2.5
189.05478	2.3
189.08945	1.6
189.12711	2.2
195.11699	41.8
195.73816	1.3
198.06657	1.4
198.10437	18.2
202.07841	2.4
203.07051	2.2
203.08752	1.4
203.10609	1.6
213.12753	100.0
213.16129	2.6
231.06502	5.3
231.08295	2.4
231.10175	5.0
231.13774	37.2
231.17242	6.3
231.21136	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	231.138
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03933	5.8
55.01860	3.6
55.05510	6.4
57.03423	2.6
57.37801	1.4
58.53243	1.4
58.90477	1.4
64.89104	1.3
67.05489	5.0
68.99783	2.2
69.03432	80.7
69.07054	4.3
70.06586	2.5
71.04968	3.4
71.54825	1.4
72.08168	7.5
72.08481	1.4
79.05502	13.3
81.03422	18.7
81.07063	7.9
83.04981	3.3
83.08607	3.1
85.02911	19.5
86.09678	1.9
87.00844	8.8
87.04456	5.7
91.05486	13.1
91.66634	1.2
93.07055	9.1
95.04973	4.7
95.08591	3.7
97.02887	8.8
97.06526	4.3
99.04462	9.6
105.01844	1.7
105.07030	19.6
107.04966	4.8
107.08591	6.4
108.54889	1.4
109.02862	9.8
109.06536	3.4
109.10148	3.0
111.04432	3.4
113.02370	1.9
115.05458	5.9
116.06291	2.0
117.07018	6.6
119.04900	1.8
119.08591	16.5
121.06532	2.7
121.10155	7.7
127.03927	11.3
128.06229	6.7
129.07001	14.0
130.07849	1.6
131.05006	1.7
131.08554	8.0
133.06532	3.7
133.10135	87.9
135.04355	1.8
137.05946	1.4
141.06958	5.6
142.07782	12.0
143.08551	19.9
145.06419	1.7
145.10120	15.9
147.04442	1.8
147.08051	4.6
149.09634	1.9
153.07002	3.1
154.07669	1.5
154.23950	1.3
155.08591	11.0
156.09348	10.4
157.06462	3.8
157.08817	1.5
157.10127	26.6
159.08041	5.1
159.11711	3.5
160.05199	2.3
161.05986	4.6
161.09595	3.0
165.07033	15.6
167.08578	3.8
169.06529	1.9
169.10101	3.0
170.10884	22.9
171.08067	10.5
171.11710	22.6
172.08849	4.7
173.09576	2.9
175.07574	5.5
175.11185	2.2
177.16367	2.7
180.09358	19.2
183.08066	10.9
185.05887	1.9
185.09695	6.7
185.13266	29.3
187.14954	2.1
189.05460	5.0
189.09111	2.8
189.12723	1.7
195.11703	36.5
195.13428	2.5
198.10402	17.4
203.14273	2.6
213.12750	100.0
231.06630	10.3
231.10226	7.4
231.13817	43.6
231.17398	2.3
231.19397	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01868	0.5
56.96557	0.9
58.06343	0.4
58.06603	5.8
58.80333	0.3
59.07371	0.9
60.07883	0.4
60.08168	7.1
61.55738	0.3
68.05015	1.3
70.06596	37.2
70.54718	0.8
72.08156	1.0
84.08122	0.4
96.08142	1.9
97.31702	0.3
98.06040	0.9
98.97594	1.8
100.07612	0.4
101.00864	1.2
114.05538	3.4
114.09196	1.7
116.07081	1.0
116.98618	1.0
119.01926	3.1
124.07603	3.3
126.09170	0.7
126.23888	0.3
137.02931	0.5
138.40025	0.3
142.08643	31.3
144.99861	0.3
170.08156	2.0
183.14951	1.8
187.00941	0.7
215.00407	0.4
224.07982	0.3
229.15486	100.0
230.15768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
56.96543	0.5
57.03412	0.5
58.06343	0.6
58.06604	5.7
58.99837	0.5
59.07380	1.3
59.22797	0.4
59.33541	0.3
60.08165	6.0
60.12268	0.4
61.02916	0.8
68.05016	0.9
68.06038	0.4
70.06596	34.1
70.99847	0.9
71.25186	1.0
72.08149	0.5
77.00909	0.6
82.06585	0.5
82.99856	1.5
84.08115	0.5
85.02901	0.5
96.08099	1.3
98.06033	0.6
100.07640	0.5
101.00887	13.8
101.02420	0.4
102.61253	0.3
113.00852	0.5
114.05542	3.4
114.09164	0.9
115.02438	1.0
116.07090	1.0
117.10249	0.6
119.01929	32.1
124.07587	4.0
126.09184	0.6
126.98786	1.1
131.01889	1.1
133.03481	3.6
137.02979	4.8
139.98349	0.4
142.03560	0.6
142.08640	29.4
143.01929	0.5
144.99847	2.6
145.03363	0.4
149.03119	0.5
151.04532	0.8
161.03006	1.4
163.00867	0.5
166.09789	0.5
168.99849	5.1
170.08109	1.8
172.99332	0.7
173.03046	0.5
173.99469	0.4
183.09651	0.6
183.14973	4.5
187.00896	8.8
191.00400	0.4
191.03949	0.9
196.99339	1.6
197.01118	1.5
205.01982	2.5
215.00356	6.5
215.02229	0.8
229.15485	100.0
230.15747	0.9
233.01385	0.5
237.90353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.6
57.03428	1.7
57.07068	1.0
59.04974	0.7
65.03960	0.4
66.89424	0.4
67.05511	14.2
69.07069	2.5
70.06571	0.5
70.72717	0.7
70.73068	0.8
71.55566	0.4
76.44997	0.4
79.05507	2.8
81.07063	6.2
83.08630	2.2
91.05486	4.4
93.06477	0.6
93.07050	6.6
95.08610	7.3
105.07043	7.9
107.08597	6.9
109.10165	14.5
111.08063	0.5
117.07014	4.4
119.08592	9.3
121.09428	0.3
121.10157	5.8
123.11716	2.2
129.07024	1.8
130.07773	0.8
131.08575	13.2
133.10133	7.5
135.11690	3.7
137.09584	0.5
143.08559	1.4
144.09358	3.3
145.10138	12.8
147.11713	4.5
149.13284	0.5
155.10616	0.6
157.10095	1.6
158.10956	1.5
159.11702	34.3
160.12405	1.7
161.13266	1.6
171.11694	2.9
172.12436	0.8
173.11757	2.5
173.13251	24.0
174.13931	0.5
185.13298	2.6
186.14055	10.0
187.14844	9.2
199.14822	5.4
200.15607	1.6
201.16396	1.5
214.17172	4.0
229.14709	2.2
229.19525	100.0
230.19809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1905
Annotation	ROLICYCLIDINE
Peak:m/z	Relative Intensity
53.03963	0.2
54.94483	0.2
55.05510	0.4
57.03433	0.3
67.05505	0.8
68.05830	0.5
69.03436	0.8
69.07063	0.2
70.06596	0.4
70.18022	0.7
71.05005	0.2
76.76201	0.2
79.05476	0.3
81.03411	0.3
81.07055	0.2
84.08134	0.2
85.02895	0.5
86.06062	0.3
91.05479	0.4
93.07049	0.2
95.08624	0.3
97.02889	0.2
98.06018	0.2
98.20873	0.2
99.04481	0.2
105.07028	0.4
107.08581	0.2
109.10168	0.6
110.10488	0.7
119.08585	0.4
121.10152	0.3
129.06984	0.2
130.06534	0.9
131.07278	0.2
131.08629	0.2
134.10434	0.2
140.04865	0.2
143.08501	0.3
144.08057	0.3
145.08908	0.3
145.10095	0.3
146.10513	0.2
158.09654	1.7
159.10312	0.2
172.11188	1.5
173.12024	3.3
174.12140	0.2
176.14375	0.2
185.13295	0.2
186.12750	1.1
187.13565	8.0
188.14290	1.0
200.14343	2.0
201.15112	0.5
202.12990	0.2
214.15919	9.8
215.16695	2.2
219.12549	0.2
230.19044	100.0
231.10181	0.5
231.13771	0.3
231.17407	0.3
231.19383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
51.29825	2.1
55.01843	7.2
55.05510	15.5
57.03441	15.6
57.07056	4.8
59.04985	4.8
59.89269	2.2
62.37278	1.9
63.33441	1.8
65.03918	2.6
67.05509	78.7
67.62647	2.0
69.03411	3.3
69.07076	12.2
71.04967	4.7
71.22109	3.8
79.05497	21.6
81.07064	72.1
83.04948	5.1
83.08604	7.4
84.68272	2.3
85.06511	8.8
91.05491	38.8
93.07045	19.9
95.04934	6.4
95.08601	17.5
97.02845	2.5
97.06551	13.0
98.06038	1.8
98.20811	1.9
99.00720	2.6
99.08069	3.6
105.06416	2.0
105.07043	35.7
107.08615	12.4
109.06466	9.1
109.09489	3.9
109.10162	48.4
110.10544	2.1
111.08072	4.7
115.05448	4.3
117.06976	4.1
119.08598	37.0
121.10146	21.2
123.08018	4.5
123.11714	32.8
129.07043	10.8
130.07722	2.4
131.08580	15.4
133.10155	15.3
137.09592	3.4
142.07710	5.6
143.08525	4.8
145.10091	12.6
147.07991	2.3
147.11699	93.4
149.09645	4.9
155.08510	8.0
155.10608	4.1
156.09302	2.1
157.10130	22.2
159.08026	3.1
159.11635	7.7
165.11459	2.3
165.12790	41.0
169.10083	3.1
173.09554	4.9
173.11679	14.5
173.13232	7.9
175.11215	23.6
183.07973	5.7
183.11653	3.7
186.06680	7.9
187.11089	3.8
187.14755	6.3
193.12169	9.0
201.09151	5.5
201.12761	2.7
211.11046	2.7
211.13097	5.1
211.14865	3.9
229.05139	3.4
229.08630	29.7
229.12267	12.4
229.14244	100.0
229.17863	4.3
229.19533	15.7
229.23283	2.9
230.19070	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	231.1381
Annotation	Volvatellin
Peak:m/z	Relative Intensity
53.03947	7.5
55.01861	3.7
55.05490	5.8
57.03432	2.8
57.07076	2.9
59.04988	2.1
59.61696	1.4
65.03944	1.4
67.05505	12.5
68.05804	1.5
69.03432	80.8
69.07072	7.7
69.55408	10.9
70.06557	3.4
71.04967	4.0
72.08133	6.0
73.02889	1.6
73.09326	2.0
79.05496	17.4
81.03413	15.3
81.06642	1.9
81.07059	22.6
83.04974	5.0
83.08609	2.1
85.02513	1.5
85.02911	18.2
85.06526	1.8
86.09710	2.0
87.00834	10.0
87.04444	5.6
91.05485	22.4
93.07040	19.5
95.04978	6.8
95.08611	10.5
97.02898	10.2
97.06492	5.2
98.21560	3.2
99.04453	9.0
103.05451	1.4
105.07030	36.1
107.04942	3.2
107.08614	13.0
109.02895	8.3
109.06525	12.4
109.10177	6.8
111.04419	3.7
115.05442	4.9
117.07001	10.0
117.45837	1.3
119.08588	24.3
121.06492	6.5
121.10148	10.8
123.04368	1.8
123.08058	4.5
125.05991	2.4
127.03932	12.7
128.06226	11.6
129.07013	15.8
130.06560	1.3
130.07744	4.8
131.04907	1.5
131.08559	14.5
132.09366	1.7
133.06525	8.4
133.10133	27.7
134.10851	1.8
135.04384	4.9
135.08076	8.0
135.11725	3.1
137.05951	3.9
137.09596	4.4
137.22522	1.4
141.06943	4.2
142.07785	11.9
143.08566	25.1
144.09314	2.7
145.05069	2.0
145.06462	5.0
145.10135	26.7
147.04382	2.9
147.08046	18.1
147.11711	2.8
149.05962	2.3
149.09576	2.1
151.07477	1.5
153.06990	2.8
155.08571	14.8
156.09326	9.8
157.06453	6.1
157.10118	30.3
158.07257	2.7
159.08078	5.6
159.11649	8.6
160.05171	2.2
160.08810	1.8
161.05968	3.5
161.09644	13.2
161.13226	2.6
163.03899	1.4
163.07454	2.6
163.11133	2.6
165.07013	14.8
167.08537	2.7
169.10117	3.3
170.10927	26.2
171.08073	10.7
171.11696	16.4
172.08839	4.9
173.06026	1.7
173.09598	8.3
173.13263	2.1
173.23953	1.5
174.06526	1.5
175.07571	7.5
175.11183	2.4
175.14789	1.8
177.16377	5.5
179.08531	1.6
180.09319	19.0
181.06387	1.5
183.08063	8.8
183.11682	2.4
185.05893	1.8
185.09587	6.4
185.13271	35.9
187.11121	2.5
187.14787	5.3
189.05418	3.9
189.09029	4.8
189.12759	8.1
195.11702	40.7
196.12057	1.5
198.10391	18.3
203.06981	3.9
203.10655	3.2
203.14291	6.7
213.05556	1.8
213.12743	100.0
213.16068	3.5
214.13072	1.8
229.93330	1.7
231.06570	11.4
231.10204	10.3
231.13774	85.0
231.17470	6.9
231.19395	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	229.1435
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
53.03934	5.5
55.01867	3.0
55.05510	20.7
57.03438	16.5
57.07078	2.9
59.04991	6.3
67.05508	79.6
69.03428	27.2
69.07083	11.1
69.44232	7.4
69.44662	9.4
71.00143	2.1
71.04983	7.3
76.20954	2.1
79.05495	13.2
81.07058	61.3
83.04978	19.0
83.08630	14.5
85.02901	2.9
85.06525	7.7
87.04472	2.5
91.05484	29.9
93.07047	19.6
95.04972	7.5
95.08607	22.8
97.06532	6.7
97.10163	2.8
98.20600	2.2
99.00871	2.3
99.08094	6.0
101.05974	2.7
105.07037	36.4
107.08592	14.7
109.02889	15.3
109.06521	5.0
109.10156	69.5
111.08076	3.7
113.06004	2.8
115.05474	2.1
117.07019	5.6
119.08592	35.8
121.06517	10.2
121.10148	28.6
121.82028	1.8
123.08096	4.7
123.11704	26.3
125.09591	2.6
127.07535	4.3
127.11194	5.9
128.06236	4.3
129.06985	7.4
131.08562	22.4
133.10141	17.8
135.11722	3.3
137.09607	3.8
141.06982	4.1
142.07809	2.5
143.08569	13.4
144.09346	6.5
145.06491	6.3
145.10143	17.1
147.08078	2.1
147.11685	52.4
149.05789	2.1
149.13235	4.0
151.11206	3.7
153.06998	3.6
154.07875	1.9
155.08594	6.6
155.10651	4.1
157.10138	8.7
158.10924	13.8
159.08064	9.5
159.11684	15.2
164.61412	2.0
165.12755	20.6
167.08505	2.3
167.14313	5.2
168.09344	5.7
169.10098	4.9
169.12234	7.1
170.10930	5.9
171.08090	7.7
171.11652	4.2
172.08829	12.0
173.09636	43.0
173.11778	11.1
173.13275	46.1
173.14651	1.6
175.07574	2.5
175.11252	3.4
183.11639	10.9
185.13310	4.4
186.10431	28.8
187.07593	2.9
187.11194	61.0
187.14761	3.2
193.10175	2.6
193.15906	4.2
196.08844	8.5
199.07550	2.2
201.09085	2.3
201.12747	57.4
211.11223	14.4
211.15149	2.3
211.16835	11.3
214.06178	2.5
214.09879	4.0
229.08612	6.9
229.12267	100.0
229.14365	16.4
229.16019	5.9
229.19540	16.0
230.19028	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	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00795	0.5
53.74916	0.5
55.01884	1.2
55.05515	10.1
57.03440	19.0
57.07086	1.7
59.05001	5.1
63.23108	0.5
65.03953	1.8
67.05508	100.0
68.05835	0.8
69.03440	1.9
69.07072	3.2
69.21170	0.5
69.58124	2.8
69.58538	1.1
70.06592	4.0
71.01361	0.5
71.05001	3.3
72.08154	0.6
76.64035	0.5
79.05492	2.6
79.25342	0.5
81.07063	13.1
83.04958	0.8
83.08619	6.4
85.02943	0.7
85.06556	2.4
86.09718	1.2
91.05485	7.1
93.07048	3.9
95.04984	1.2
95.08613	4.8
97.02936	0.6
97.06536	0.5
98.20819	0.9
99.08097	0.8
103.03947	0.7
103.05469	0.5
105.07051	1.6
107.08588	2.9
109.02918	0.6
109.06507	0.9
109.10162	78.7
110.10475	1.1
111.08096	2.7
117.07014	0.9
119.08588	6.5
121.06542	0.8
121.10191	0.7
125.09630	0.6
128.06163	0.6
129.06992	0.7
131.08562	1.0
135.08136	0.5
137.09618	3.9
141.07016	1.2
143.08551	0.6
145.06441	0.9
145.10136	0.9
147.11696	0.6
148.67577	0.5
149.10756	0.8
154.49146	0.5
155.08537	1.5
155.10666	5.2
157.10094	0.8
159.11659	1.1
160.65146	0.5
168.09491	0.5
169.10022	0.9
171.11514	0.5
172.08829	1.2
173.09561	0.9
173.11752	21.4
183.08034	1.2
183.11659	0.7
186.10463	0.9
187.07581	0.6
187.11131	1.0
201.12590	1.2
211.07614	0.6
211.11195	0.7
229.04898	1.9
229.08437	3.5
229.12274	2.4
229.14241	24.3
229.23418	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.72297	7.1
52.77750	5.9
54.49712	6.1
55.05500	15.2
57.03437	13.4
57.07090	8.3
66.01064	6.2
67.05513	100.0
69.07075	13.7
71.10221	9.8
71.10538	7.5
76.05846	6.4
79.05504	11.8
81.07060	51.3
85.06474	7.2
91.05481	20.1
93.07023	14.7
95.08591	12.0
97.06561	12.2
105.07021	29.7
107.08598	13.3
109.10164	88.1
119.08567	34.6
121.10152	17.5
123.11732	18.1
127.02747	7.2
131.08572	16.2
133.10158	11.6
133.86072	7.1
134.18094	8.2
145.10075	8.3
147.11678	58.1
157.10124	18.1
159.11697	10.9
165.12753	17.9
173.11816	10.0
173.13266	7.9
175.11179	16.8
193.12318	13.8
229.08659	14.2
229.12219	19.7
229.14369	71.7
229.19627	32.2
229.23540	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
53.03930	1.6
55.01864	3.2
55.05510	4.4
57.03431	1.1
58.99585	1.3
67.05511	11.2
69.03129	1.0
69.03428	9.8
69.07068	5.4
70.06255	1.1
70.06599	14.8
71.04988	1.4
71.14423	2.2
72.08152	3.9
73.29491	1.0
79.05485	6.9
80.05005	1.0
81.03416	1.2
81.07056	5.3
82.06584	1.5
83.04974	2.2
83.08636	1.2
84.04517	1.8
84.08136	2.8
85.02884	1.5
86.09694	3.6
91.05487	12.8
93.07059	7.9
95.04983	12.7
95.08618	1.8
95.67440	1.0
97.02870	1.9
97.06492	1.5
98.06062	6.2
99.00814	1.4
103.05456	2.3
105.07040	9.9
107.04967	4.8
107.08582	1.9
108.04472	1.8
108.05724	0.9
109.02870	2.9
109.06521	2.8
109.10157	6.5
114.39078	0.8
115.05466	4.3
116.07093	4.5
117.07024	4.7
119.04940	2.4
119.08585	8.9
120.08149	1.3
121.06496	10.2
121.10124	1.3
122.07262	1.0
123.04424	3.7
123.08077	1.6
125.07181	1.3
126.05507	1.9
128.06198	5.5
129.06998	5.8
129.10231	1.1
130.04977	2.5
130.07777	0.9
130.08672	1.5
131.04968	1.1
131.08563	16.2
133.06448	4.0
133.10147	2.3
135.04413	2.1
135.08052	2.2
137.05962	2.4
139.07594	1.4
141.07034	6.0
142.07753	8.3
142.08682	1.2
143.08571	11.2
144.05629	1.7
144.06636	1.5
144.09360	4.4
145.06461	5.2
145.10124	9.1
146.07228	1.5
147.08009	4.5
149.05992	1.4
150.79318	1.0
152.04742	1.3
153.07004	9.1
154.07851	1.1
155.08545	14.5
156.09290	2.2
157.06474	2.0
157.10103	6.2
158.02704	1.2
158.07256	3.8
158.10887	2.0
159.08066	15.3
159.11693	9.8
160.08771	1.2
161.09653	1.0
165.06984	2.7
167.07065	32.5
167.08539	3.5
168.05579	1.3
168.09334	15.1
169.06454	1.4
169.10123	4.9
170.10872	1.5
171.08057	6.7
171.11624	1.5
172.08838	16.3
173.05997	2.3
173.09618	9.3
173.13246	9.5
175.07445	1.7
178.07788	3.2
181.06502	5.5
181.10187	1.6
183.08040	2.6
183.11697	21.5
183.14995	1.2
185.09657	3.0
185.13277	2.7
186.10396	7.2
187.07529	6.6
187.11166	15.7
193.08537	1.3
193.10083	6.2
195.08006	2.1
196.08832	18.8
199.07425	1.3
199.11192	1.2
200.04788	1.2
201.05437	1.7
201.09081	3.1
201.12755	30.8
205.98848	1.3
211.07741	2.0
211.09271	1.9
211.11188	32.7
212.03751	5.8
212.09288	0.9
214.02516	0.9
214.09898	3.3
229.06487	2.2
229.08707	5.4
229.12227	100.0
229.15488	5.9
229.23482	1.4
230.04799	2.3
230.12456	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
53.03936	3.3
55.01850	2.8
55.05515	26.1
55.27251	2.1
57.03442	14.1
57.07063	3.2
63.62638	2.2
65.03931	3.7
67.05509	79.9
67.05869	4.1
69.03416	2.1
69.07076	29.7
70.65664	6.8
71.04996	19.2
71.08611	2.0
73.02890	2.4
74.64290	2.1
76.22821	2.2
79.05495	38.3
81.03391	2.7
81.07061	100.0
83.04964	9.1
83.08630	16.0
85.06535	7.3
91.05489	19.2
93.07049	62.4
95.04942	4.0
95.08620	30.3
97.06544	19.8
97.10155	7.1
99.08073	6.6
100.11269	13.3
105.07028	9.7
107.08609	35.3
109.10132	5.3
111.08103	6.9
114.04576	2.1
117.07039	12.1
121.10141	19.0
123.11665	3.8
125.09618	5.2
129.06989	3.2
131.08569	15.7
133.10139	16.3
135.08075	3.2
135.11708	19.9
143.08543	2.5
145.10136	3.5
149.12178	3.9
149.13269	45.0
157.10138	6.3
159.11707	24.9
170.51399	2.1
171.11726	3.0
177.12766	10.4
185.13260	4.4
195.13838	16.7
227.10738	1.9
227.12482	10.3
227.14523	3.6
227.18159	12.9
227.20001	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15628	2.9
50.33882	2.5
53.03939	4.4
55.01880	3.5
55.05510	41.7
56.23083	2.7
57.03437	11.8
57.07071	7.5
67.05169	5.5
67.05508	74.6
69.03436	3.2
69.07068	31.1
71.04999	28.7
71.08634	3.7
73.75961	2.8
79.05499	49.3
79.19746	2.8
80.05841	4.6
81.07062	100.0
82.99015	3.1
83.04976	12.9
83.08625	20.0
85.06541	5.6
85.10213	3.2
85.57636	3.0
88.75974	2.4
91.05485	27.7
93.07046	62.9
95.04982	10.3
95.08594	25.1
97.06544	12.6
97.10184	21.1
99.08102	5.1
100.11270	29.3
102.78586	3.2
105.07039	11.8
107.04942	15.4
107.08613	38.6
107.76271	2.8
108.05307	9.1
109.06519	6.4
109.10175	8.6
110.49741	3.0
111.08073	7.8
117.07038	13.5
120.05619	17.5
121.05937	10.5
121.10155	19.6
125.09634	13.9
129.07057	5.3
131.08588	16.4
133.10106	16.2
133.83041	3.0
135.08070	4.7
135.11688	18.9
142.07837	3.4
143.08540	6.8
149.13275	44.3
156.09322	3.6
157.10178	10.8
159.11708	19.3
163.19333	2.9
171.11743	11.1
177.12759	9.7
184.07121	4.4
185.13211	7.4
189.11240	9.1
194.81859	3.3
195.13814	16.8
209.16534	6.1
227.10149	53.0
227.12770	20.6
227.14607	6.1
227.17998	21.2
227.20049	6.1
228.23244	6.7
229.49786	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03932	4.3
55.01872	4.4
55.05270	1.7
55.05515	22.9
56.05029	2.1
57.03444	12.0
57.07073	5.2
67.05511	77.4
67.05875	4.3
69.07079	26.4
71.04996	22.6
71.55746	3.0
79.05499	47.3
81.03405	2.6
81.07066	100.0
83.04985	9.5
83.08631	18.9
85.02898	2.1
85.06534	5.5
85.26661	2.0
91.05476	23.1
93.07049	66.4
95.04962	6.7
95.08617	25.1
97.06537	14.2
97.10176	5.9
99.08109	5.4
100.11256	7.0
105.07046	9.5
107.04993	1.7
107.08606	32.4
108.62136	1.7
109.06519	3.0
109.10188	5.4
109.66092	2.0
111.08086	9.9
117.07037	15.4
119.08577	5.1
119.45825	1.9
121.10149	20.4
125.09692	3.3
129.07013	3.7
131.08598	12.8
133.10123	14.5
135.08020	2.8
135.11711	15.9
143.08562	5.3
145.10136	3.6
149.09773	1.9
149.13275	48.6
157.10077	5.2
159.11722	24.8
171.11688	3.6
176.77951	1.8
177.12766	10.9
185.13295	4.1
195.13867	13.9
224.30405	2.3
227.12555	4.6
227.14365	5.7
227.17943	12.5
227.20123	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01860	3.4
55.05511	13.0
56.43689	0.9
57.03426	2.4
57.07058	3.1
65.03921	1.2
67.05507	31.5
69.03467	1.1
69.07069	7.7
70.16951	3.6
70.37940	0.9
71.04997	100.0
72.08141	1.1
72.93794	1.5
79.05494	19.0
79.23354	0.9
81.03401	1.1
81.07063	38.3
83.04954	3.1
83.08620	9.7
84.08156	1.1
85.02881	1.0
85.06531	2.9
85.96195	0.9
91.05478	8.0
93.07052	21.3
95.04955	4.3
95.08611	17.2
97.06541	4.7
97.10180	7.7
99.04457	1.0
99.08079	1.8
100.07613	1.6
100.11262	9.9
105.07043	4.1
107.08604	13.2
108.05307	1.0
109.06516	2.6
109.10130	2.7
111.04390	1.1
111.08082	3.2
117.07020	6.6
119.08573	3.1
121.06494	2.4
121.10152	4.6
125.09644	8.7
128.06163	1.8
129.06981	2.4
131.08560	6.1
133.10110	6.7
135.08051	2.0
135.11700	11.9
139.11177	1.2
142.07751	1.4
143.08563	3.5
149.13303	9.8
153.07013	1.4
153.09106	1.2
156.09323	2.0
157.10129	4.4
159.11703	11.0
167.07014	2.8
169.09996	1.0
171.11681	3.5
177.12784	3.8
181.06416	1.2
183.11601	1.1
185.09593	1.5
185.13222	2.9
189.11282	3.6
195.13893	3.0
209.13498	1.7
209.15172	1.7
209.16794	1.2
227.07016	3.0
227.10500	3.3
227.12750	11.3
227.14406	3.3
227.17891	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	228.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.5
55.05525	0.4
56.05047	0.3
57.07093	0.3
63.97489	0.2
65.98925	0.2
67.05509	0.6
67.66188	0.3
68.05032	1.0
69.03436	0.8
69.07073	0.7
70.02950	1.6
70.06601	2.0
71.05003	4.1
71.12498	0.6
72.08168	1.0
72.93791	0.3
73.02921	0.6
79.05500	0.6
80.05031	0.6
81.07041	0.5
82.06596	0.4
83.04968	0.4
83.06109	0.3
84.04513	0.6
84.08142	1.0
85.02911	0.6
86.09718	1.0
88.04018	0.5
91.05517	0.2
93.07069	0.5
94.06580	1.4
95.04983	0.5
95.07362	0.5
95.08608	0.6
96.04490	0.4
96.08124	0.4
98.06105	0.3
107.04939	0.4
108.08113	0.4
111.08064	0.4
112.05106	0.8
112.05913	0.3
112.07603	1.1
114.05558	0.3
116.07114	0.3
122.06036	18.9
123.04387	0.3
124.07605	0.7
125.05917	0.3
125.44659	0.3
128.07095	0.7
129.10283	0.5
136.11264	0.5
138.09128	0.8
139.07559	0.5
140.07071	70.1
141.07437	0.3
167.06995	0.4
168.06566	100.0
169.06952	0.9
169.93941	0.3
182.09375	0.5
182.11748	0.5
192.10278	0.3
210.11266	0.4
210.14801	0.4
228.06551	0.5
228.08643	9.0
228.12312	1.0
228.15938	0.7
228.23167	2.1
229.08736	0.3
229.12329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01901	4.9
55.05507	17.5
57.03423	10.9
59.05001	9.4
67.05502	18.1
69.03444	10.8
69.07069	21.4
69.62515	4.2
70.59415	14.6
71.05003	34.4
73.02901	4.1
77.12621	4.2
79.05510	11.2
81.07070	44.2
83.04990	11.4
83.08622	10.7
85.06543	16.9
86.09692	5.5
91.05453	21.5
93.07047	57.5
95.04979	100.0
95.08610	27.6
97.06544	19.2
97.10184	4.9
99.04459	13.7
99.08098	22.6
100.11219	7.6
105.07043	15.8
107.05000	5.5
107.08613	57.3
109.02876	4.5
109.06541	25.2
109.10144	26.1
111.08032	5.6
117.07043	5.5
119.08565	8.9
121.06489	18.5
121.10142	52.8
123.08076	19.7
123.11707	13.7
125.09637	20.2
127.07564	7.7
131.08572	18.8
133.10143	53.5
135.08061	11.9
135.11685	8.6
136.40852	5.4
137.09627	9.0
139.11197	19.8
140.04681	4.7
143.10611	7.0
145.10051	5.1
147.11699	7.9
148.05179	5.3
149.09651	39.6
149.13301	29.6
151.11185	21.2
153.09105	18.3
163.14925	21.5
165.12688	5.6
167.07036	40.6
171.10193	14.1
173.13245	28.4
176.58957	4.3
177.05516	6.5
189.31274	5.5
190.23524	4.5
191.14278	24.9
200.41083	5.3
209.08151	6.3
209.15416	34.3
227.06998	10.2
227.16382	61.9
227.18192	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03934	1.8
55.01868	1.7
55.05524	9.3
57.03422	4.7
57.07057	3.6
57.55392	1.2
59.04988	4.1
65.03967	1.3
67.05508	9.8
67.58105	1.2
69.03426	4.6
69.07073	12.2
69.38166	10.3
70.06579	2.2
71.04996	24.3
73.02911	1.1
73.06554	1.8
79.05489	9.6
81.03425	1.9
81.07059	21.1
83.04964	5.8
83.08605	4.3
85.02908	2.0
85.06549	10.5
86.09705	3.7
91.05473	11.7
93.06482	1.5
93.07051	24.5
95.04973	100.0
95.08616	17.5
97.06536	19.8
97.10154	4.4
99.04462	13.3
99.08101	37.1
100.11241	5.0
103.05441	1.8
105.07043	13.4
107.04934	2.9
107.08601	27.4
109.06525	17.2
109.10166	12.1
111.08092	7.9
113.05968	2.7
113.09644	2.7
115.07587	9.4
119.08561	9.1
121.06500	4.1
121.09335	1.7
121.10147	22.0
123.04427	2.7
123.08067	4.1
123.11711	8.8
125.06038	1.3
125.09631	8.5
127.07567	21.6
129.82095	1.2
131.04909	1.4
131.08597	6.1
133.10141	38.3
134.03670	1.6
135.08051	5.2
135.11711	7.1
137.05981	3.6
137.09599	4.3
139.11171	16.7
140.04710	1.6
143.10651	3.6
145.10114	3.1
147.11696	4.4
149.05962	4.1
149.09587	3.9
149.13257	12.0
151.11195	8.3
153.07921	1.8
153.09123	32.3
153.12695	2.0
155.06996	2.7
158.10883	2.7
163.11220	1.2
163.14803	8.7
165.12720	2.8
167.07057	36.9
167.10690	1.2
171.10196	11.9
173.13286	16.1
177.05516	8.2
181.04982	2.0
182.15392	2.3
191.10667	2.9
191.14308	13.1
199.42827	1.3
208.95152	1.3
209.08095	3.7
209.11642	1.4
209.15323	17.1
210.14885	2.0
227.07112	2.5
227.16415	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05516	9.8
57.03424	4.7
57.07066	5.9
59.04993	6.7
63.84315	1.4
64.36572	1.4
65.03919	1.8
67.05505	10.8
69.03431	4.8
69.07072	14.8
70.76858	3.6
71.04994	23.0
73.06551	1.9
75.04479	1.7
79.05486	11.8
79.77803	1.4
81.07066	20.4
83.04970	5.9
83.08614	6.9
85.06545	9.8
86.09686	2.0
91.05486	9.0
93.07047	27.2
95.04973	100.0
95.08609	15.9
97.06525	21.0
97.10163	4.8
99.04470	16.9
99.08085	23.6
100.11267	5.5
103.42886	1.5
105.04409	1.7
105.07033	13.3
107.08593	30.3
109.06528	15.2
109.10160	13.1
111.08068	7.9
113.09673	2.2
115.07558	6.0
117.07011	2.2
119.08588	7.4
119.48312	1.4
121.06524	3.3
121.10155	25.8
123.08071	6.2
123.11690	9.2
125.06032	2.4
125.09655	11.7
127.07569	11.8
128.06125	1.6
131.08566	5.5
133.10130	37.7
135.08028	5.5
135.11659	7.6
137.09610	6.8
137.13249	1.8
139.07521	2.5
139.11188	13.4
143.10655	4.8
145.10075	4.2
147.11720	7.3
149.09610	6.9
149.13271	12.4
151.11209	8.5
153.09096	26.2
163.14835	7.5
165.12750	5.6
167.07060	10.6
171.10173	17.0
173.13280	16.2
177.05452	3.2
191.14330	14.8
199.07372	1.8
209.11690	1.8
209.15358	22.0
227.07036	2.7
227.10530	2.2
227.16411	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.02088	1.1
53.03944	1.9
55.01846	1.4
55.05514	7.2
57.03432	5.4
57.07056	3.9
57.10100	1.1
59.04982	4.2
60.20033	0.9
65.03938	0.9
67.05159	0.9
67.05514	7.5
69.03403	4.5
69.06772	0.9
69.07063	9.4
69.33819	6.7
69.34229	2.6
70.06593	1.2
71.04995	22.0
72.08134	2.4
73.06531	1.9
75.04465	1.0
79.05489	5.3
81.06652	1.1
81.07060	14.4
83.04973	4.7
83.08604	4.6
85.06541	7.6
86.09699	1.4
87.12756	0.9
91.05458	5.4
93.07050	16.9
95.04971	100.0
95.08614	14.4
97.06030	1.0
97.06538	14.7
97.10135	2.9
99.04459	18.8
99.08105	22.8
100.11276	5.3
103.05400	1.4
105.07024	9.9
107.08598	19.4
109.06518	14.3
109.09567	1.0
109.10159	10.1
111.08115	5.9
113.09634	2.2
115.07579	5.3
117.06973	1.8
119.08578	8.6
121.09341	1.1
121.10153	18.7
123.08044	2.8
123.11711	7.2
125.09639	10.4
127.07549	13.1
129.06978	1.5
131.08582	5.1
133.10139	28.7
135.08028	4.3
135.11682	6.6
137.09578	3.0
139.11171	10.4
143.10710	5.9
145.10101	3.3
147.11679	5.9
149.05995	1.2
149.09593	2.4
149.13240	7.9
150.09114	2.0
151.11191	6.3
153.09114	26.7
153.12732	2.1
163.07590	2.1
163.11143	1.4
163.14832	5.0
165.12708	2.2
167.07069	5.9
171.10222	10.7
171.11548	1.6
173.13271	12.4
177.10162	1.5
185.13220	1.0
191.14311	9.5
209.11627	1.3
209.13457	1.5
209.15352	15.9
213.17725	1.2
227.06985	1.5
227.10529	2.1
227.12636	1.5
227.14453	1.8
227.16351	35.2
243.17004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	0.4
53.03947	1.5
54.84666	0.3
55.01868	0.9
55.05516	4.5
55.44690	0.3
56.02660	1.6
57.03447	0.8
57.07069	0.4
63.39612	0.3
65.03947	1.1
67.05510	22.3
69.03418	0.5
69.07068	3.4
69.81911	2.1
71.04998	100.0
79.05497	10.0
79.79759	0.3
80.68917	0.4
81.07063	29.2
83.04990	1.6
83.08637	2.3
85.06561	2.1
91.05493	5.2
93.07053	15.3
95.04979	1.4
95.08617	15.2
97.06554	3.2
97.10184	2.0
99.04472	0.6
99.08109	1.1
100.11271	0.9
105.07050	2.7
107.05000	0.4
107.08601	6.1
109.06551	0.9
109.10161	1.7
111.08103	2.0
113.06039	0.7
117.07018	3.5
119.08611	1.4
121.06518	0.9
121.10179	1.5
123.11685	0.5
125.09673	1.5
127.07579	1.0
128.06158	0.4
129.07011	0.8
129.19351	0.4
131.08583	4.0
133.10147	4.5
135.08109	1.2
135.11705	10.7
135.12720	0.7
139.07547	0.4
142.07793	0.4
143.08588	1.0
149.09682	0.8
149.13264	5.7
149.14368	0.5
151.12933	0.3
157.10146	1.0
159.11703	7.2
167.07002	0.6
171.11743	1.1
177.11296	0.6
177.12727	3.4
185.13359	0.6
189.11243	0.8
195.13853	1.2
209.15469	1.5
227.07051	0.8
227.10706	0.7
227.12827	2.6
227.14714	0.7
227.18004	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	227.1278
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03945	3.3
55.01863	7.3
55.05513	21.3
57.03417	5.7
57.07075	1.7
58.86617	1.4
62.76661	1.5
65.03917	2.0
67.05515	22.8
69.03421	3.9
69.07067	11.8
70.04864	5.1
71.04987	5.1
73.02913	4.0
74.31747	1.6
76.93536	1.7
79.05065	3.0
79.05495	41.3
81.03402	4.6
81.07059	30.6
83.04967	6.1
83.08628	15.2
91.05493	12.8
93.07044	51.6
95.04972	12.4
95.08608	57.4
97.02891	7.0
97.06507	3.9
97.10165	2.4
97.30267	1.7
98.20854	2.3
99.04430	6.9
100.11262	3.5
103.05473	2.3
104.19363	1.8
105.07030	9.6
107.04971	16.0
107.08600	34.1
109.06507	5.3
109.10150	4.1
111.04429	3.4
117.07018	13.0
119.08582	14.8
121.06516	12.1
121.10139	15.8
123.04409	2.0
125.06016	4.5
130.07835	2.1
133.10118	5.9
135.10695	3.3
135.11702	63.4
137.05968	2.2
139.07512	3.1
143.08563	5.3
145.10126	35.4
149.05988	2.0
157.10121	4.2
163.11192	93.1
164.11559	1.9
167.07057	16.0
170.07114	1.7
171.11700	4.3
173.09572	2.0
177.05467	3.8
181.12224	22.3
185.09679	2.1
185.13272	2.7
195.95724	1.8
209.11638	2.2
209.44551	2.1
227.06996	3.3
227.12752	100.0
227.17686	8.0
228.17496	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01872	2.3
55.05510	8.9
57.03420	5.4
57.07057	5.5
57.49858	1.6
59.04989	5.0
67.05496	8.8
69.03415	5.9
69.07066	9.4
71.00319	3.2
71.04993	20.1
75.04479	2.0
79.05505	10.5
81.07059	17.5
83.04972	7.4
83.08601	5.8
85.06538	5.7
86.09704	3.1
91.05476	7.7
93.07050	18.5
95.04972	100.0
95.08598	15.5
97.06541	20.9
97.10146	4.3
99.04453	17.4
99.08091	19.4
100.11252	4.1
105.07014	7.4
107.08598	31.6
109.06524	16.0
109.10152	10.6
111.08081	6.7
113.05984	3.0
115.07566	7.3
119.08579	7.6
121.06506	2.7
121.10143	23.9
123.08072	4.7
123.11693	8.1
125.09610	12.5
127.07576	9.6
128.06236	2.4
131.08542	5.7
133.10136	30.2
135.08066	5.1
135.11674	7.3
137.09589	2.6
139.07526	2.4
139.11176	12.1
141.12727	2.0
141.66144	1.8
143.10689	2.2
145.10115	3.4
146.80087	1.9
147.11652	6.6
149.09637	2.0
149.13269	12.6
151.11189	6.4
153.09120	29.0
153.12706	1.7
163.14793	10.7
165.12752	7.4
167.07083	9.2
171.10188	9.2
171.11462	1.8
173.13298	12.7
183.13826	9.2
191.14326	12.1
209.15334	22.7
227.14243	1.8
227.16367	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	227.1643
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03945	1.0
55.05500	2.8
57.03431	4.1
59.04980	1.5
67.05497	3.8
69.03418	1.2
69.07053	3.5
69.36495	3.2
69.36926	4.5
71.05004	8.5
75.04462	3.1
79.05480	3.5
80.30549	1.0
81.07053	6.7
83.04975	2.0
83.08614	2.4
85.06539	2.7
91.05482	2.1
93.07056	8.9
95.04976	100.0
95.08635	5.7
97.06537	15.9
97.10151	1.4
99.04466	15.0
99.08096	10.7
105.07041	3.7
107.08600	8.4
109.06521	8.9
109.10164	4.7
111.08106	1.9
115.07574	4.4
119.08581	3.8
121.10125	8.4
123.11701	3.4
125.09633	4.2
127.06636	1.0
127.07537	4.4
131.08574	2.7
133.10139	17.0
135.08073	2.1
135.11702	2.1
137.09656	1.3
139.11174	5.5
140.04652	1.0
145.10133	1.3
147.11668	2.5
149.09636	1.8
149.13260	3.9
151.11166	1.5
153.09113	29.5
153.12759	1.9
155.07031	1.8
163.14830	3.3
165.12740	1.1
167.07010	1.4
167.10655	1.4
171.10188	3.9
173.13248	8.6
181.04898	1.2
191.14288	6.7
194.41557	0.9
209.15390	13.2
227.16414	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	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01879	1.1
55.05514	10.1
57.03436	1.3
57.07068	2.8
67.05176	1.9
67.05513	29.0
69.03441	1.1
69.07079	6.1
69.88044	5.6
69.95155	1.1
71.01352	1.0
71.05000	100.0
73.02883	1.1
79.05494	14.8
81.07064	38.5
83.04986	2.6
83.08622	5.5
85.06546	2.0
91.05477	9.4
93.07053	21.1
95.04974	3.5
95.08614	19.2
97.06544	4.2
97.10188	5.4
99.04479	1.0
99.08077	1.7
99.99728	1.0
100.11263	6.5
105.07014	5.3
107.08610	11.2
109.06504	1.7
109.10179	2.5
111.08083	2.9
113.06039	1.1
117.07034	5.0
119.08569	3.2
121.06523	1.9
121.10162	4.1
125.09644	5.3
128.06212	1.5
129.07011	1.7
131.08578	7.0
131.97417	1.1
133.10158	5.2
135.08081	2.3
135.11726	10.6
141.06931	1.2
143.08553	3.9
145.10164	1.3
149.13271	8.9
153.09111	1.2
157.10123	3.1
159.11702	8.6
167.07076	2.8
170.10779	1.2
171.08150	1.1
171.10361	1.5
171.11719	3.8
173.49643	1.1
175.47520	1.0
177.12758	4.8
183.11646	1.1
185.09605	1.1
185.13286	1.8
189.11246	2.1
195.13928	1.4
227.07021	2.4
227.10477	1.9
227.12508	7.4
227.17973	10.2
228.23300	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.15499	0.6
53.03934	1.7
55.01862	2.3
55.05510	2.8
56.05036	1.2
56.96566	5.6
57.03431	1.5
61.02938	0.7
61.56284	0.5
65.03939	1.1
67.05500	1.6
68.05042	1.0
69.03423	3.3
69.07080	2.8
69.85750	0.6
70.06595	8.6
71.01353	0.7
71.04980	1.1
71.53854	0.7
72.08165	5.0
72.93789	1.1
73.02905	2.1
78.04694	4.0
79.05488	3.8
80.05019	0.7
81.03413	1.4
81.07060	1.4
82.06583	1.2
83.04960	1.1
83.06116	0.6
83.08621	1.2
84.04508	6.7
84.08144	4.5
84.96040	0.7
85.02929	3.1
85.06548	1.1
86.09718	1.0
89.03941	1.4
91.05482	8.2
93.06578	0.5
93.07065	4.5
95.04980	3.9
95.06078	0.8
95.08621	0.8
96.08109	1.3
97.02915	3.9
97.06541	0.6
97.10155	0.5
98.97604	4.4
99.04468	1.2
100.11218	1.1
103.05466	8.0
105.03416	0.8
105.04542	0.7
105.07027	1.2
106.04181	2.6
107.04955	4.8
107.08603	0.7
109.02929	0.8
109.06522	1.2
109.10217	0.6
110.01301	0.8
110.03524	2.5
110.06023	1.0
110.07176	1.2
111.04438	0.9
111.05541	1.0
112.99110	0.9
115.00729	0.8
116.07094	7.2
116.98631	2.1
117.03333	1.4
119.01869	1.4
119.04945	2.1
120.08151	0.8
121.06522	13.1
122.03643	1.6
122.06028	0.8
123.04446	10.0
124.05235	2.8
127.03896	0.8
128.02306	0.8
128.98601	1.0
131.00165	1.1
131.04935	6.3
133.01788	0.9
133.02812	1.2
134.03656	3.0
134.05986	1.4
134.99670	1.3
135.04434	2.3
136.07602	0.8
137.05974	9.6
140.03645	0.6
140.04677	4.1
140.07066	1.5
142.03423	0.7
143.04509	0.7
145.03540	0.7
146.99626	1.2
147.04410	1.3
148.05180	2.4
149.01270	1.2
149.04782	1.1
149.05991	17.0
151.03891	1.9
152.04674	2.4
152.07095	1.2
153.04099	11.0
153.05371	1.0
153.09102	0.6
154.02464	3.3
155.06975	1.3
156.03340	2.2
156.06589	0.9
159.04413	4.8
161.04721	0.6
162.03136	0.7
163.03981	2.0
163.07561	1.8
164.07127	0.9
165.05522	1.3
167.07043	100.0
168.06377	0.7
168.07547	1.8
170.05180	2.1
173.02821	0.7
174.04347	2.8
176.04819	0.6
177.05495	26.2
180.07814	0.7
181.04997	0.6
181.08499	1.0
181.09921	1.1
184.05209	0.6
185.02924	1.4
186.04410	2.9
191.03909	1.2
191.07050	1.7
194.05730	0.8
195.05145	4.7
195.06635	0.6
201.04228	0.6
203.03995	1.3
204.05455	2.4
209.08055	7.6
209.12784	1.4
210.07668	0.9
210.11301	2.5
218.06169	1.2
221.04984	0.7
227.06999	4.8
227.10307	2.7
227.13904	3.9
227.17574	0.7
228.05519	0.8
237.02846	1.0
244.04439	0.8
245.80042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03938	3.4
55.01854	6.6
55.05518	25.3
57.03416	3.2
67.05511	26.4
69.03429	3.0
69.07068	10.6
70.35653	4.3
70.36002	3.3
71.05002	10.2
73.02905	2.7
79.05080	2.2
79.05503	34.8
81.03406	3.7
81.07061	31.9
83.04963	6.3
83.08622	16.7
85.06539	1.9
91.05478	15.4
93.06475	2.8
93.07050	50.9
95.04984	11.1
95.08613	54.3
97.02863	5.9
97.06509	4.8
97.10172	8.6
99.04437	5.4
100.11246	6.4
105.07047	9.7
107.04970	15.0
107.08596	43.3
109.06490	2.9
109.10134	4.8
111.04435	2.7
117.07018	14.7
119.08570	13.4
121.06477	6.9
121.10145	14.9
125.05991	3.0
125.09610	6.6
125.80775	1.7
128.06216	1.9
129.06998	3.6
130.07765	2.4
131.08543	2.9
133.10149	3.6
135.08043	4.5
135.10689	3.5
135.11707	65.7
139.07481	2.8
141.07056	1.5
143.08562	9.4
145.10126	36.7
153.09166	2.0
157.10095	5.6
159.11705	1.9
163.11188	92.0
171.11716	5.4
181.12233	19.1
185.13173	2.5
189.11235	2.2
199.96266	1.8
206.12210	1.7
209.11656	4.1
212.20879	1.6
227.06908	2.7
227.12761	100.0
227.17770	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03961	4.3
55.01866	4.3
55.05512	24.3
57.03430	13.5
59.05007	20.7
65.03955	4.7
67.05516	30.6
69.03431	22.6
69.07072	17.1
70.00526	12.7
70.06569	4.4
71.04994	15.0
72.08147	5.7
77.03933	5.2
79.05499	27.0
81.03434	8.0
81.07052	38.7
81.10709	3.8
83.04986	24.3
83.08608	8.1
84.08144	4.5
85.02895	11.6
91.05493	59.2
93.07048	39.1
95.04972	37.2
95.08614	33.9
97.06525	10.1
99.04464	27.1
101.06015	3.9
103.05482	6.8
105.03397	5.5
105.07040	69.9
107.04955	14.6
107.08601	95.0
108.05748	7.3
109.06516	53.3
109.10167	31.5
111.04446	7.0
111.08105	7.5
117.07018	5.0
118.29666	3.7
119.04964	25.4
119.08587	58.1
121.06525	16.2
121.10130	23.8
123.04415	4.0
123.08064	100.0
123.11720	10.0
125.05981	16.3
125.09650	14.3
128.06212	4.1
131.08575	4.7
133.06477	12.0
133.10117	21.1
135.08049	35.9
135.11703	40.0
137.05983	6.0
137.09610	82.6
139.07507	6.0
141.06966	4.8
145.10190	6.8
147.04411	15.9
147.08043	10.1
147.11653	27.5
149.09624	26.8
151.03951	4.3
151.07547	23.0
151.11195	16.9
153.09100	22.1
156.09349	6.3
161.13249	40.5
163.11145	22.4
165.05391	5.7
165.09158	6.9
165.12791	9.8
167.07100	9.3
167.10646	5.1
171.11702	9.1
175.03946	30.3
177.12769	4.7
179.10699	4.9
179.14333	6.2
180.04227	10.0
181.08601	6.5
181.12277	7.9
183.13766	5.8
189.12720	28.2
192.04198	15.0
193.04961	7.5
197.05956	6.0
207.06465	35.8
207.13824	32.9
208.09630	6.1
225.07399	7.0
225.09258	8.3
225.11176	8.0
225.14693	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.63526	4.0
53.03953	8.6
55.01862	6.8
55.05507	21.2
57.03430	9.2
57.07076	4.4
59.04986	14.8
65.03918	6.2
65.53569	3.6
67.05513	24.0
69.03426	20.1
69.07079	20.7
71.04990	15.8
71.54778	6.3
77.03931	5.0
79.05505	32.8
81.03410	10.4
81.07061	46.6
83.04992	31.1
83.08611	6.4
84.08122	6.1
85.02905	15.8
85.06539	7.8
91.05489	50.5
93.07062	40.2
95.04975	50.6
95.08611	40.0
97.02905	6.1
97.06537	22.0
99.04467	58.4
99.08062	6.5
103.05476	4.2
105.03388	5.1
105.07040	54.9
107.04971	11.4
107.08603	95.8
109.06539	52.6
109.10167	34.0
111.04425	8.0
111.08098	10.6
117.07004	8.5
119.04959	24.5
119.06094	5.3
119.08582	48.0
121.06489	11.1
121.10146	35.1
123.04433	12.8
123.08071	100.0
123.11722	15.6
125.06001	20.4
125.09596	7.5
129.06970	4.1
131.08548	8.4
133.06487	14.5
133.10135	14.1
135.08061	26.5
135.11696	34.8
137.06007	5.3
137.09625	68.7
137.13300	8.2
139.07501	5.0
143.08548	10.3
145.10106	8.7
147.04431	22.4
147.08014	7.8
147.11736	23.3
149.09618	32.9
151.07597	25.1
151.11201	17.5
153.09103	23.2
155.08565	5.5
159.11653	5.3
161.13283	40.7
163.03967	7.6
163.11189	27.4
165.05453	6.6
165.09085	5.9
165.12793	10.0
167.07030	11.2
167.10718	9.0
171.11729	11.3
175.03889	25.5
177.12816	5.4
179.14322	5.0
180.04117	10.6
181.08611	9.1
181.12233	8.6
183.06596	6.5
183.13742	5.9
189.12782	27.1
192.04152	5.3
193.04950	6.8
207.06508	37.7
207.13797	40.8
225.07193	8.0
225.09235	14.2
225.11122	5.5
225.14728	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03956	1.3
55.01883	9.5
55.05511	7.3
57.03434	3.2
57.07077	1.7
59.04993	1.5
63.79466	1.0
65.03958	1.5
67.05508	9.3
69.03078	1.9
69.03433	27.2
69.07085	5.0
70.23073	3.8
71.04977	3.8
71.05326	1.0
72.08149	1.9
79.05499	10.0
81.03430	1.6
81.07068	16.4
81.73626	0.8
83.05000	8.4
83.08621	1.9
85.02898	1.8
90.86024	0.9
91.05479	6.5
93.07054	12.1
95.04976	100.0
95.08618	12.4
97.02880	2.3
97.06541	10.4
98.21385	1.4
99.04457	4.5
99.08077	1.2
105.03391	1.6
105.07043	10.8
107.04930	2.3
107.08605	14.8
109.06530	16.0
109.10165	9.3
111.08059	3.0
113.06051	1.2
115.03942	6.2
119.04936	2.5
119.08580	11.6
121.06522	2.2
121.10159	10.1
123.08083	15.3
123.11732	1.7
125.05993	2.1
125.09650	20.4
131.08571	2.9
132.62025	0.9
133.10138	5.6
133.32468	1.1
135.08076	2.5
135.11682	2.6
137.06049	1.7
137.09645	4.9
137.13266	1.2
139.07530	4.1
141.09099	0.9
143.08598	1.0
145.10109	2.3
147.04402	2.2
147.08076	2.5
147.11734	4.8
149.07126	1.0
149.09625	12.2
149.13298	1.4
151.07582	7.6
151.11194	3.5
153.09123	2.9
156.09352	1.8
159.11717	3.3
161.13281	7.0
163.11154	2.5
164.07045	0.9
165.12750	1.2
167.10753	1.9
169.08615	18.8
171.11673	2.9
175.03894	1.3
177.12721	2.7
179.14386	1.4
183.06506	1.3
189.12703	7.9
193.05103	1.3
207.06456	2.3
207.13795	10.6
225.04079	1.8
225.09128	1.5
225.14871	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.00654	0.8
53.03919	0.8
54.93316	0.8
55.05507	0.9
57.07069	2.1
65.87553	0.8
67.05512	4.8
69.03426	1.2
69.07055	1.2
71.43364	0.8
71.44568	1.1
79.05489	1.8
81.03397	0.8
81.07066	21.1
83.04990	1.1
85.02910	100.0
91.05479	7.5
93.07075	3.9
95.04988	0.9
95.08602	6.8
96.90108	0.8
99.04468	1.8
101.00768	0.9
105.07038	3.2
107.08595	5.9
109.06538	2.0
109.10165	10.5
111.08083	0.9
119.04951	5.6
119.08578	3.6
121.10144	7.7
123.04468	1.1
123.08057	2.5
123.11714	69.5
125.06003	6.7
125.09642	1.2
131.08585	1.3
135.08099	0.9
139.11176	1.2
141.05457	1.3
143.08597	0.9
145.10152	1.9
147.04457	4.7
147.08080	1.4
147.11699	3.0
149.09605	7.2
151.07529	2.3
156.09328	1.0
163.10999	0.8
165.12759	1.0
170.73438	0.9
175.03893	8.7
189.12726	4.6
192.04230	1.8
207.06572	8.3
207.13826	16.0
225.14909	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	225.1485
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01865	1.4
55.05511	7.8
57.07071	2.5
58.57560	1.0
59.04983	2.2
67.05488	3.7
69.03422	2.3
69.07072	5.5
69.95528	2.4
69.95934	3.5
71.01350	1.9
71.04996	42.8
72.08150	1.1
79.05498	6.2
81.03400	2.9
81.07056	14.9
83.04971	4.0
83.08633	7.0
85.02884	4.2
85.06541	1.6
91.05463	6.1
91.20956	1.0
93.07042	5.6
95.04981	5.6
95.08613	13.8
97.06546	7.9
99.04458	100.0
99.08089	1.8
105.03368	2.0
105.07040	6.6
107.04961	2.0
107.07866	2.3
107.08598	39.8
109.05783	1.8
109.06521	26.6
109.10169	3.1
111.08064	1.6
111.11723	1.8
113.09647	5.3
119.04926	2.8
119.08573	4.8
121.06496	2.4
121.10152	17.6
123.08062	20.2
123.11717	16.9
125.05987	2.1
125.09625	8.3
127.07580	1.3
131.08566	3.0
133.10150	2.5
137.05939	1.9
137.09608	3.2
137.13237	3.3
139.11194	4.3
141.06958	1.4
141.09108	1.7
141.12737	2.4
145.10068	1.1
147.11719	7.7
149.09650	11.5
151.07523	1.7
155.10628	1.2
161.13237	3.4
163.11189	1.0
165.12759	12.1
167.07079	1.0
167.10684	26.2
169.10100	2.1
171.11765	1.4
175.03856	2.5
179.14281	2.5
181.06505	1.9
181.10291	1.1
183.13815	37.3
189.12733	3.2
193.05058	1.6
197.06085	1.2
197.13184	1.5
207.06517	2.7
207.13805	8.0
225.09164	2.4
225.12814	2.0
225.14746	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05514	5.4
56.94401	1.1
57.03429	2.8
59.04996	1.3
67.05502	3.7
69.03433	5.6
69.07058	3.7
70.15077	3.5
70.15421	1.0
71.04999	4.6
79.05489	4.8
81.03380	0.8
81.07062	22.4
83.04997	5.1
85.02897	2.7
87.92461	0.9
91.05469	3.9
93.07042	6.2
95.04972	32.3
95.08614	7.5
97.06519	1.4
97.10168	1.3
99.04459	31.8
99.08092	3.9
101.05948	1.0
105.07037	2.7
107.08599	5.7
109.06516	16.3
109.10174	4.8
111.08057	2.6
115.03941	1.5
119.08614	1.8
121.06535	1.6
121.10163	5.0
123.08085	9.2
123.11706	2.4
127.07554	2.5
127.11218	1.2
131.08551	1.8
133.10135	0.9
135.07997	0.9
137.09641	2.3
137.13246	7.2
139.80150	0.9
141.09076	1.5
147.11694	1.7
149.09625	100.0
151.07507	1.1
151.11203	2.5
153.09093	7.6
161.13232	1.7
161.98160	1.0
165.12804	3.2
167.10735	1.2
171.11774	1.2
175.03992	0.9
179.14264	1.7
183.13835	3.4
189.12720	3.4
207.13817	11.5
225.14883	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	225.1487
Annotation	MKN-003A
Peak:m/z	Relative Intensity
55.01880	0.5
55.05516	4.1
57.03437	1.3
65.03935	0.7
67.05507	3.0
69.07070	1.1
70.64726	0.5
70.99880	1.0
71.04995	2.3
73.25700	0.4
79.05495	1.1
81.07063	5.5
83.04987	5.6
84.04500	0.5
85.06539	0.7
91.05486	1.2
93.07043	1.6
95.04975	100.0
95.08590	2.1
96.05291	0.7
97.02923	0.4
97.06544	1.3
99.04452	11.5
99.08073	0.5
105.07030	1.5
107.08591	2.8
108.79375	0.4
109.06543	3.5
109.10150	2.7
111.08092	1.4
116.58176	0.5
119.08598	1.4
121.10129	2.8
123.08073	9.2
123.11675	1.1
125.09695	1.2
127.07580	0.8
133.10168	0.8
135.08060	0.7
135.11713	0.6
137.05991	0.5
137.13243	0.5
141.09108	1.0
142.88779	0.6
147.11703	1.8
149.09663	1.6
151.11179	0.5
153.09113	26.2
154.09523	0.5
161.13326	0.8
163.11206	0.7
165.12828	1.2
167.10663	0.6
171.11443	0.4
175.03943	0.6
180.04218	1.1
189.12796	3.1
193.05240	0.4
200.70840	0.5
207.06615	0.5
207.13852	2.8
225.14873	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.16405	1.2
55.01871	2.8
55.05514	8.8
57.03432	5.6
57.07076	2.3
59.04991	2.4
65.63732	1.2
67.05505	10.9
69.03421	4.0
69.07069	8.8
71.05000	11.5
71.08659	1.2
71.19849	1.7
73.06537	1.9
79.05496	7.6
81.06584	2.2
81.07065	38.3
83.04981	12.1
83.08599	3.1
84.50531	1.1
85.02898	3.8
85.06538	1.8
91.05492	6.4
93.07054	9.1
95.04967	12.3
95.08607	19.5
97.02907	3.8
97.05974	1.3
97.06542	8.8
97.10151	2.0
99.04461	100.0
99.08085	7.3
105.07030	8.3
107.08611	17.4
109.06534	14.7
109.10163	15.5
109.68594	1.2
111.08097	3.3
113.09656	1.9
115.03968	2.6
117.07021	1.6
119.04953	5.2
119.08614	8.3
121.06495	1.6
121.10165	13.1
123.08080	26.7
123.11713	10.4
125.06045	1.3
125.09637	4.3
127.07565	4.0
127.11212	4.5
131.08585	1.7
133.10094	2.5
135.08061	2.9
135.11679	2.3
137.05943	1.4
137.09604	9.6
137.13301	7.9
141.09119	6.6
145.10107	2.2
147.04436	3.1
147.08006	2.0
147.11674	10.3
149.09642	29.8
151.07550	6.2
151.11211	8.5
153.09151	2.4
156.09361	1.7
159.11691	1.6
161.13290	6.1
163.11221	4.0
165.09125	1.4
165.12781	6.9
167.10690	2.8
171.11714	3.7
175.03914	3.7
179.14281	3.5
183.06619	1.6
183.13808	6.0
189.12752	22.1
192.04247	2.0
207.06519	7.3
207.13834	20.3
225.07545	1.6
225.14865	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03939	2.2
55.01881	2.9
55.05510	8.0
57.03436	1.9
57.07080	1.8
59.05000	9.1
61.22453	1.3
66.70919	1.2
67.05511	10.0
67.05811	1.5
69.03438	16.7
69.07074	10.1
70.10888	4.8
71.05011	2.5
72.08154	4.1
79.05492	13.5
81.07063	18.0
83.04538	1.7
83.04984	12.7
83.08623	3.8
85.06552	2.1
87.04482	12.4
91.05482	19.5
93.07047	43.2
95.04986	8.7
95.08611	17.1
97.06528	6.5
97.10140	1.4
98.20792	2.1
99.04478	3.5
101.05998	1.7
103.77267	1.1
105.03413	2.0
105.07038	37.2
107.04984	2.9
107.08601	38.7
109.06543	14.1
109.10177	7.0
109.99905	1.2
111.08102	7.2
113.06001	1.3
117.06997	3.2
119.04948	3.9
119.08588	22.5
121.06528	2.1
121.10146	9.9
123.08076	13.3
123.11727	4.3
129.07021	2.4
131.08582	3.5
133.06496	5.1
133.10156	9.7
135.08029	2.8
135.11731	1.5
137.05980	5.5
137.09627	4.4
139.11208	4.7
141.06993	1.5
141.09113	3.0
143.08588	5.6
145.10205	2.6
147.08049	5.7
147.11690	16.8
149.09593	8.1
151.07610	3.1
151.11192	96.6
156.09349	5.1
158.88542	1.2
159.11713	5.9
161.09631	7.6
161.13261	17.4
163.11165	2.2
165.12755	3.4
169.10153	1.5
171.11703	8.4
174.10400	3.1
175.03847	2.1
177.12706	2.1
179.14352	2.7
180.04192	1.6
183.11778	1.5
189.12752	19.5
207.06546	2.7
207.13823	100.0
225.09167	2.4
225.12804	2.7
225.14781	15.9
225.16647	2.3
226.10930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03941	6.4
55.05517	32.3
57.07060	9.4
65.68620	6.2
67.05505	39.3
69.03455	6.2
69.07049	14.3
70.20697	25.1
73.06538	11.1
73.40398	5.9
76.24173	5.4
76.63725	5.9
79.05500	64.3
81.03407	10.7
81.07059	33.0
83.04980	21.3
83.08634	6.0
91.05489	46.7
93.07046	62.3
95.04973	27.5
95.08621	22.2
97.06547	6.3
97.10177	8.2
105.03403	6.8
105.07025	34.6
107.08605	12.2
109.06554	9.4
109.10161	8.1
117.07002	7.0
119.08575	23.0
123.08051	7.6
129.07028	14.7
133.10132	9.6
147.11711	32.6
147.12694	6.9
161.13297	6.8
164.41992	6.3
169.10182	8.6
171.11676	17.0
178.94745	6.3
197.13275	7.0
207.13828	16.0
225.09184	11.9
225.12779	12.7
225.14774	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
56.96565	11.9
57.03441	1.8
68.70261	1.5
69.03400	1.4
69.51597	7.7
71.86028	1.1
82.99864	1.7
84.04506	1.5
84.08131	3.0
84.96033	2.5
85.02908	2.0
85.38154	1.1
95.40479	1.4
98.97588	12.8
99.04436	1.7
100.02494	2.5
101.00308	1.1
101.00887	27.0
101.01553	1.5
102.00996	1.2
102.02286	1.2
116.98624	10.8
119.01929	100.0
120.02010	6.6
121.01669	8.8
124.02460	4.0
124.99147	1.8
130.03505	1.5
131.01901	3.4
133.03413	1.3
134.99754	6.7
135.99988	1.2
137.02962	30.1
138.03052	2.5
139.02534	1.9
140.96223	2.4
141.96513	1.4
142.03508	43.4
143.01843	1.8
143.03650	2.7
144.03192	3.3
145.03523	1.3
145.06494	3.2
146.98511	1.5
149.48929	2.3
149.98009	1.5
150.52809	1.7
150.98979	1.3
153.00644	1.7
154.94183	3.9
156.05038	1.4
156.97496	1.4
157.03409	1.8
157.97575	1.8
158.49376	3.7
158.97234	25.2
158.99854	2.0
160.04575	13.8
161.02972	10.3
161.04726	2.1
161.48949	2.1
161.98206	1.1
162.01115	1.4
162.49799	1.5
163.07542	2.2
165.05110	1.2
167.49129	1.2
167.99092	8.4
168.01036	1.3
168.49200	2.4
169.49472	2.2
170.49367	15.0
170.99348	3.5
171.01414	1.7
171.50441	1.9
172.95213	4.9
174.98529	2.4
176.98335	25.5
177.00946	47.8
177.99019	2.8
178.01007	7.8
178.49921	2.7
179.00829	2.6
179.04010	14.4
179.49916	37.5
179.99944	8.8
180.49716	5.4
181.00807	1.8
182.00015	1.8
182.97269	3.7
184.04535	3.5
186.99048	1.5
187.99303	5.8
188.49370	1.6
189.51819	1.4
190.00502	3.5
190.49489	8.0
190.96413	1.7
191.00313	8.1
191.50418	3.9
193.55743	1.3
198.46867	1.8
199.50085	28.2
200.00160	9.6
200.49966	4.1
200.98318	21.6
201.00677	2.9
201.02370	6.2
201.98705	3.3
202.00601	3.0
202.02539	2.6
202.05647	3.0
205.00395	2.0
206.50952	1.4
207.97037	1.9
207.99048	1.9
208.46968	2.6
209.97829	2.3
210.47215	7.0
211.00836	6.6
213.99062	1.7
214.96431	3.9
215.96577	2.6
216.96461	5.9
217.04086	4.2
218.99728	4.4
219.01990	38.8
219.47823	11.9
219.95795	1.8
219.97794	5.1
219.99869	4.7
220.02005	14.2
222.48137	1.7
224.98334	4.2
225.02499	2.8
225.50227	1.3
232.96718	3.1
234.96349	3.8
238.95592	5.3
242.99448	4.9
243.02052	7.0
243.10332	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	Sundiversifolide
Peak:m/z	Relative Intensity
53.03936	0.9
55.05494	2.1
57.07079	2.5
63.85655	0.7
65.03949	1.1
67.05506	6.3
69.03438	1.7
69.07061	2.6
69.84059	4.1
71.04984	1.9
79.05495	4.2
81.07063	20.6
83.04974	3.4
83.08619	1.3
85.02911	100.0
85.06532	1.1
88.94484	0.8
91.04966	1.0
91.05487	10.8
93.07031	4.0
95.04974	2.6
95.08623	7.0
95.57498	0.8
97.06544	2.2
99.04462	2.2
105.07048	4.7
107.04964	2.2
107.08604	6.3
109.06515	3.9
109.10155	11.9
110.45613	0.8
111.04428	1.2
111.08069	1.3
119.04943	8.2
119.08638	4.3
121.06492	1.0
121.10150	8.9
123.04459	1.6
123.08074	5.8
123.11715	74.4
125.06002	7.4
125.09627	2.6
129.07007	0.8
131.08578	1.5
133.06534	1.0
133.10121	1.7
135.08058	1.1
137.05940	1.2
137.09616	1.9
139.07587	0.9
139.11183	1.5
141.05490	0.8
141.09087	1.4
145.10117	1.7
147.04413	7.2
147.08055	2.1
147.11729	4.2
149.02388	1.1
149.09630	9.0
151.03957	0.9
151.07529	3.8
151.11171	1.0
153.09106	1.3
156.09361	1.0
157.04030	0.9
159.11757	0.8
161.13231	2.3
163.11224	1.8
164.04738	1.1
165.05547	1.3
165.12740	1.9
167.10664	1.3
169.08733	0.9
171.11742	2.0
175.03909	10.2
180.04202	2.3
183.06519	1.0
183.13881	1.1
189.12747	6.7
192.04150	2.8
207.06528	13.5
207.11838	1.6
207.13805	16.7
225.05602	1.1
225.09285	0.9
225.14787	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	224.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
53.32743	0.5
58.06605	0.7
60.08165	100.0
69.58727	0.9
69.59143	3.0
70.06609	1.5
70.12514	0.4
72.42500	0.5
80.36060	0.6
84.08153	0.7
91.05486	5.3
93.07027	1.0
95.04974	23.6
99.56077	0.5
103.05464	3.1
107.04969	0.9
109.06477	0.8
116.07085	0.8
119.04948	36.3
121.06494	2.6
123.04433	90.9
124.04756	0.7
137.05980	0.9
147.04414	29.3
164.07079	3.2
164.09319	0.9
165.05482	59.9
166.05797	0.8
178.08624	0.8
206.11778	0.6
209.06880	1.6
210.23079	0.5
217.01866	0.6
224.09184	2.5
224.12822	47.0
225.13228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1284
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03946	1.0
54.53485	0.6
58.52431	0.6
60.08167	100.0
60.75564	0.7
70.50460	2.0
72.48238	0.6
77.03967	0.6
83.72721	0.6
88.06861	0.7
91.05483	6.9
95.04972	26.6
103.05486	2.3
109.06535	1.0
119.04949	38.5
121.06525	2.4
123.04434	98.8
124.04745	1.0
125.77840	0.6
136.88565	0.7
137.06044	1.4
147.04414	32.3
147.87268	0.6
165.05484	70.6
166.05875	0.6
176.08649	0.7
194.15034	0.7
211.46844	0.6
224.12819	57.3
227.54597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39770	0.3
53.03963	0.3
54.42960	0.2
55.01875	0.4
55.05511	2.9
57.03438	1.0
57.07076	7.5
57.71844	0.3
59.04991	0.7
59.79836	0.2
67.05507	7.8
69.07072	1.5
70.04079	100.0
70.81591	0.6
71.04992	3.9
72.08140	0.3
79.05490	0.5
81.03407	0.4
81.07063	2.4
82.04094	0.3
83.04977	0.5
83.08617	3.7
83.90820	0.3
85.02916	0.8
91.05492	1.0
92.78604	0.3
93.07050	2.3
95.04968	1.0
95.08614	11.3
97.06506	1.5
97.10165	2.4
99.04456	20.6
101.06021	0.6
105.07076	0.3
107.08599	2.5
107.36269	0.3
109.06507	1.3
109.10159	20.7
110.10425	0.3
111.08101	0.7
113.09667	0.6
119.08584	2.2
121.43781	0.3
122.06075	0.3
123.08125	0.3
125.09602	0.6
127.11181	1.6
137.09619	12.2
147.04393	0.4
151.11157	0.3
155.10649	1.1
167.10724	0.4
178.13434	3.5
183.13721	0.3
193.07390	0.4
206.11079	0.5
206.12920	7.4
207.13689	0.3
211.15674	0.3
222.26662	0.3
224.13942	85.0
225.14352	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rumphellolide F
Peak:m/z	Relative Intensity
50.75742	0.4
53.03950	2.0
55.01879	1.9
55.05510	8.1
57.03453	0.9
57.07096	1.1
65.03937	2.2
66.04785	0.5
67.05505	44.7
69.03416	0.6
69.07067	5.0
70.73860	1.0
71.04994	1.6
72.08140	0.8
73.85435	0.5
74.64073	0.4
79.05497	19.7
81.03429	3.2
81.07060	100.0
82.07404	0.7
83.04961	3.5
83.08628	3.1
85.02914	1.9
85.06542	1.7
91.05479	6.7
93.07047	15.9
95.04974	7.9
95.08609	90.4
96.08945	0.7
97.02923	0.9
97.06526	1.8
97.10186	0.7
99.08105	0.8
105.07035	5.0
107.04977	2.0
107.08591	10.8
109.02871	0.8
109.06543	2.4
109.10161	25.6
111.04449	0.9
111.08083	0.8
117.07025	4.8
119.08594	2.7
121.06519	1.9
121.10146	9.2
123.04391	0.6
123.08086	3.0
123.11719	3.3
125.05982	0.7
125.09566	0.8
127.07596	1.0
131.08569	6.5
133.10139	1.9
135.08044	1.7
135.11696	2.2
137.09645	0.7
141.06949	0.9
141.09111	0.7
143.08577	0.6
145.06540	0.5
145.10107	4.0
147.11687	0.9
149.02361	2.9
149.09633	3.2
149.13243	0.8
153.09102	0.8
159.11694	3.0
161.13272	1.7
163.11150	2.3
163.14809	3.8
167.10559	1.0
175.29301	0.4
177.12784	1.7
177.16409	1.3
177.31795	0.5
181.10078	0.6
181.12251	1.0
187.11215	1.1
187.14827	6.1
190.02675	0.7
193.10031	0.8
205.12216	2.9
205.15913	2.9
208.01727	0.6
223.04156	0.9
223.06015	2.6
223.13252	21.6
223.16814	11.0
225.04210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0919
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
53.03941	0.7
55.01871	0.8
55.05510	0.8
56.05046	1.5
56.96565	2.6
57.03450	0.8
58.99596	0.8
60.04522	0.9
60.08171	12.4
62.06086	3.0
62.36020	0.6
64.28949	0.6
69.03429	1.3
69.07058	1.1
70.06596	31.9
71.04990	1.8
71.54025	0.9
72.08155	4.7
73.02890	0.7
74.02460	1.1
74.08679	0.6
79.05496	3.9
81.03432	1.6
81.07024	0.7
83.04996	0.8
84.04523	1.7
84.08150	5.8
85.02911	1.7
86.03266	0.8
86.06075	1.2
86.09718	2.6
88.04004	0.7
91.05475	5.6
93.07041	1.0
94.06557	0.9
95.04981	4.5
97.02909	1.4
97.06548	0.8
98.97607	1.6
99.04493	0.9
100.07676	0.6
103.05480	6.6
105.07037	22.4
107.04975	3.7
108.04523	1.0
109.02892	1.6
109.06546	1.1
110.06046	2.9
110.07166	1.0
115.05466	2.0
116.98624	1.2
117.05777	7.2
118.06570	0.7
119.04954	5.7
119.07317	2.5
119.08606	1.1
120.04453	2.3
120.08118	2.7
121.06516	2.2
123.04442	13.6
129.10284	1.4
130.06557	5.7
131.04944	2.5
132.08096	100.0
133.02798	1.0
133.08440	0.9
134.06015	1.1
134.99593	1.1
136.06207	4.3
136.07565	8.2
137.06015	0.8
143.00127	0.6
143.39948	0.5
147.04443	4.4
149.05956	0.8
150.05513	1.8
150.09137	2.3
163.01759	0.6
164.07071	2.5
165.05493	9.1
168.06580	1.4
177.00851	0.6
178.03261	1.8
178.08641	95.2
178.12085	1.9
179.09114	0.6
182.08148	1.9
192.08803	8.9
193.04362	0.7
196.09871	0.8
201.00755	1.1
206.08099	2.0
206.11824	2.2
209.06856	0.8
216.22324	0.6
224.04240	1.1
224.09286	11.2
224.11162	1.9
224.12946	8.3
225.12376	0.8
226.04314	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	223.133
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03934	0.7
55.01880	1.1
55.05515	5.6
57.03423	0.4
59.04991	0.2
64.95596	0.1
65.03939	0.5
66.04715	0.3
67.05508	5.9
69.03426	0.4
69.07072	5.5
69.83667	0.4
69.84079	0.6
71.04989	0.4
75.75175	0.2
79.05495	3.3
81.03425	10.5
81.07057	3.8
83.04983	0.7
83.08139	0.2
83.08627	3.1
85.02883	0.2
85.06549	0.4
86.86607	0.2
87.08118	0.4
91.04961	0.3
91.05478	3.0
93.03419	0.3
93.07050	2.1
94.03596	0.3
94.04192	4.6
95.04974	11.7
95.08615	1.9
97.06532	0.5
98.98458	0.3
105.07014	1.1
107.04955	5.3
107.08606	1.3
109.06552	1.5
109.10143	0.3
111.08031	0.2
117.07031	1.4
119.08641	1.0
121.06519	0.7
121.10145	0.5
123.04404	0.2
123.08058	0.8
131.08603	1.3
133.10109	0.6
135.08076	0.5
135.11673	0.4
141.07027	0.3
143.08578	0.2
145.10130	0.6
147.08102	0.2
149.02338	0.7
149.09528	0.2
159.11681	0.4
163.11185	0.6
181.10101	0.2
193.10123	0.4
205.12242	1.2
223.13297	100.0
224.13620	1.7
225.04312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Placidene C
Peak:m/z	Relative Intensity
53.03949	0.9
54.14675	0.1
54.83751	0.2
55.01878	1.1
55.05511	6.0
57.03418	0.3
57.07070	0.2
65.03923	0.8
66.04713	0.2
67.05509	5.5
69.03415	0.4
69.07071	5.1
70.67612	0.4
71.04992	0.5
78.74479	0.2
79.05495	3.3
81.03420	10.2
81.07061	4.1
83.04984	0.7
83.08626	2.6
85.02888	0.4
85.06539	0.4
87.08092	0.4
90.65276	0.2
91.04964	0.3
91.05480	2.5
93.03409	0.3
93.07047	2.4
94.04195	4.1
95.04973	15.6
95.08604	2.2
97.02856	0.3
97.06525	0.5
99.08141	0.2
103.05455	0.3
105.07030	1.6
107.04951	5.0
107.08612	1.3
109.06538	1.2
109.10153	0.4
111.08111	0.3
113.44433	0.2
117.07014	1.4
119.08584	0.6
121.06524	0.9
121.10125	0.4
123.04446	0.3
123.08072	1.0
129.06990	0.3
131.08597	1.0
133.10141	0.5
135.08061	0.2
135.11668	0.5
143.08553	0.4
145.06506	0.4
145.10120	1.3
147.08029	0.2
149.02350	0.8
149.09610	0.3
159.11693	0.4
161.09665	0.2
163.11163	0.9
175.11183	0.2
177.12761	0.2
182.74524	0.2
193.10112	0.2
200.17332	0.2
205.12242	1.3
207.36156	0.2
223.13295	100.0
224.13647	1.6
225.04321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0602
Annotation	K 251-1
Peak:m/z	Relative Intensity
51.02374	0.6
52.42736	0.4
55.01876	0.6
55.05505	0.5
57.03426	0.6
57.07065	0.4
62.14534	0.4
65.03925	0.4
67.05494	1.4
69.03436	0.7
69.07048	0.6
70.65152	0.6
70.65507	0.9
71.04979	0.5
72.08162	0.6
78.04718	4.2
79.05492	1.8
81.07056	1.3
83.04980	1.1
83.08623	0.5
91.05495	1.1
93.07039	1.8
95.04970	1.3
95.08604	1.0
97.02890	0.8
97.06550	0.5
105.03399	1.7
105.07024	1.2
106.04187	2.5
107.04973	3.2
107.08584	1.5
108.51651	0.4
109.02865	0.7
109.06510	0.6
109.10191	0.5
111.08080	0.5
118.04223	0.5
119.08555	0.9
119.53238	0.5
120.08093	0.4
121.02892	0.5
121.06513	1.2
121.10165	1.0
121.50701	0.4
123.04424	0.8
123.08069	0.6
123.71479	0.4
125.05980	0.6
131.08539	0.5
133.02882	0.8
133.06453	0.4
134.03638	6.7
135.04427	9.8
135.08047	0.7
135.11682	0.6
137.02359	0.5
137.05975	0.5
137.09590	0.7
139.07530	0.5
145.10123	0.9
147.08054	0.5
149.02348	1.9
149.05986	0.4
149.09587	0.5
151.03954	0.5
152.04715	0.8
161.02377	1.0
162.03133	24.5
163.03928	11.1
163.07565	0.7
163.11186	0.9
165.01855	0.8
167.03447	0.5
167.07047	1.5
170.49846	0.4
177.05656	0.6
177.12737	1.0
178.02583	0.6
179.03407	9.4
180.04134	1.5
181.10222	0.5
190.02623	33.2
191.03087	0.8
193.01320	2.8
194.02097	3.0
195.06485	1.7
195.08084	0.6
205.01326	1.1
205.12276	1.1
207.02908	13.4
208.03687	27.1
223.06023	100.0
223.13177	1.9
223.16858	0.8
224.06360	2.0
225.04314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0602
Annotation	K 251-1
Peak:m/z	Relative Intensity
50.19093	0.4
53.03930	0.9
57.28255	0.3
59.57677	0.4
64.71385	0.3
65.03933	0.5
67.05521	0.5
69.03423	0.4
69.07030	0.4
69.14230	0.3
70.06586	0.4
70.84411	0.5
70.84723	0.8
74.03392	0.3
78.04713	2.6
79.05503	1.8
81.03374	0.4
81.07028	0.5
83.04964	0.4
89.03884	0.4
91.05481	1.4
92.63995	0.4
93.07048	0.7
95.04969	1.1
95.08537	0.6
95.74574	0.4
103.05469	0.5
105.03389	1.4
105.07038	1.0
106.04182	2.0
107.04965	14.6
107.08594	1.1
109.06479	0.9
111.08135	0.4
117.88427	0.3
119.04970	0.7
119.08588	0.6
121.06496	0.6
121.10135	0.5
124.59661	0.4
133.02849	0.8
134.03630	4.8
135.04440	5.5
135.08046	0.6
135.11665	0.5
137.02286	0.5
145.03963	1.0
145.10109	0.5
149.02353	1.1
149.05988	0.4
149.09592	0.7
159.11688	0.8
161.02353	0.7
162.03140	20.7
163.03929	9.1
163.07529	0.4
163.11217	1.2
165.01854	0.6
167.07068	1.3
177.12744	1.3
178.02600	0.8
179.03404	6.2
180.04147	1.7
185.48854	0.3
190.02626	22.8
191.03302	0.8
193.01314	3.0
194.02087	2.0
195.06520	1.5
205.12282	1.4
207.02902	10.1
208.03677	15.4
223.06024	100.0
223.13307	1.6
224.06328	1.6
225.04311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Placidene C
Peak:m/z	Relative Intensity
52.22692	0.4
53.03939	1.1
55.01857	1.5
55.05272	0.5
55.05515	6.9
57.07066	0.8
65.03941	0.9
66.04697	0.4
67.05176	0.5
67.05508	7.5
67.56802	0.3
69.03406	0.4
69.07071	7.0
69.89514	1.2
69.89927	0.7
71.04970	1.1
74.18542	0.3
79.05129	0.4
79.05503	4.3
79.68972	0.3
81.03422	10.8
81.07063	7.6
82.28625	0.4
83.04990	1.8
83.08625	4.0
85.02901	0.5
85.06480	0.5
91.05483	3.8
91.35418	0.4
93.07037	4.4
94.04195	3.8
95.04976	26.0
95.08617	4.2
97.02907	0.4
97.06535	1.3
98.20840	0.7
103.05466	0.5
105.07039	2.5
107.04962	6.1
107.08601	2.4
109.06512	1.7
109.10149	1.6
111.08073	0.8
117.07018	1.8
119.08569	1.5
121.02842	0.4
121.06508	1.1
121.10155	1.8
123.08069	1.4
125.06009	0.6
125.09599	0.5
129.06952	0.4
131.08588	1.8
133.10162	0.6
135.08076	0.5
135.11726	1.8
139.07495	0.7
141.06950	0.6
145.10091	1.9
147.08040	0.4
149.02347	3.5
149.09666	0.5
149.13295	0.6
155.02776	0.3
159.11694	1.3
161.09628	0.3
163.11183	3.0
165.06995	0.4
165.09087	0.4
171.66043	0.4
173.64749	0.3
177.12749	0.9
181.10178	0.4
187.11206	0.9
189.57718	0.4
193.10118	1.1
205.12286	2.6
205.19577	0.4
208.12346	0.5
223.06087	1.8
223.13289	100.0
224.13663	1.5
225.04300	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03952	48.6
55.01875	10.2
55.05516	11.1
57.03436	1.6
57.07060	1.6
65.03927	4.1
66.71227	1.4
67.05511	63.0
69.03429	4.3
69.07072	9.9
71.04996	4.6
71.28779	1.4
71.29117	3.2
79.05067	2.3
79.05502	37.8
81.03425	100.0
81.07064	69.1
83.04985	9.8
83.08607	4.8
85.02910	2.1
85.06527	3.7
91.05495	23.9
93.07054	39.2
95.04983	35.8
95.08619	39.7
97.02874	2.8
97.06539	6.8
99.04441	2.4
99.08098	2.4
103.05470	1.9
105.04503	2.1
105.07049	17.5
106.98205	1.9
107.04969	26.9
107.08607	14.8
109.06531	7.4
109.10155	5.9
111.04446	2.5
111.08080	4.0
115.05433	2.0
117.07028	15.5
119.08582	5.2
121.06523	11.8
121.10149	5.5
123.04456	2.1
123.07206	1.7
123.08088	23.2
129.07030	2.2
131.04991	2.1
131.08578	15.0
133.06483	3.6
133.10121	6.3
135.08035	4.3
135.11708	22.1
137.09616	3.1
141.06961	7.2
143.08569	2.5
145.06525	13.4
145.10095	8.6
146.07230	2.1
147.11673	1.4
147.12798	1.5
149.02328	8.0
149.09605	3.1
149.13248	5.1
154.07732	2.9
159.08037	4.1
159.11713	15.5
162.01291	2.1
163.11180	3.9
167.08598	1.9
169.10104	6.6
177.12743	6.1
177.31920	1.7
179.08559	2.1
180.09306	1.6
181.10106	2.7
187.11220	12.4
193.10130	3.6
195.11850	2.5
205.12234	4.7
205.15796	1.7
208.12376	2.1
223.04141	5.3
223.06059	7.6
223.11185	4.2
223.13280	28.1
223.14771	3.6
223.16919	4.1
223.20467	2.6
225.04254	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	223.0602
Annotation	K 251-1
Peak:m/z	Relative Intensity
55.05519	0.7
67.05513	1.1
69.03432	0.5
69.07080	0.5
69.95554	1.4
70.06602	0.6
71.05022	0.3
72.08165	1.0
73.02890	0.3
78.04720	3.8
79.05509	1.9
80.66734	0.3
81.03410	0.9
81.07060	1.0
82.07328	0.3
82.77213	0.4
83.04991	0.7
84.08117	0.4
85.02921	0.5
86.30127	0.3
91.05482	1.7
92.02618	0.5
93.07043	1.2
95.04965	1.4
95.08635	0.6
97.02881	0.9
97.06522	0.5
98.98489	0.3
99.04465	0.6
103.05452	0.5
105.03401	1.0
105.07056	0.8
106.04189	2.7
107.04965	4.6
107.08575	1.3
109.06513	1.0
111.04431	0.4
111.08045	0.4
112.24256	0.3
117.07030	0.6
118.04145	0.7
119.08628	0.8
120.08121	1.0
121.02892	0.5
121.06513	1.4
121.10143	1.0
123.04458	1.0
123.08064	0.7
125.05938	0.3
133.02852	1.1
133.06482	0.3
134.03622	5.3
135.04427	9.2
135.08060	1.2
135.11703	0.8
137.02271	0.3
137.05949	0.6
137.09651	0.5
139.07503	0.6
144.02101	0.4
145.06548	0.4
145.10121	0.6
149.02357	1.8
149.05978	0.4
149.09692	0.9
150.03165	0.5
151.11214	0.6
152.04727	0.6
159.11708	0.6
161.02330	0.9
161.06012	0.6
162.03148	22.8
163.03923	10.6
163.11227	1.1
164.04660	0.4
165.01807	0.5
165.06970	0.3
167.07062	1.1
167.08498	0.5
177.05489	0.5
177.09190	0.4
177.12769	1.1
178.02550	0.6
179.03426	8.7
180.04178	1.6
190.02634	29.1
191.03354	0.7
191.07040	0.6
193.01335	2.7
194.02132	2.7
195.06538	1.8
195.10316	0.5
205.01311	0.8
205.12291	1.3
207.00908	0.4
207.02913	13.8
208.03696	24.5
223.06035	100.0
223.13148	2.1
224.06430	1.5
225.04309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13980	0.4
52.99893	0.4
55.01870	0.8
55.05497	1.8
56.05040	0.9
56.96560	2.7
57.03416	0.5
58.50501	0.5
60.04515	0.8
60.08153	1.1
61.04034	0.5
65.03931	1.2
67.05489	1.9
68.04999	0.5
69.03419	1.9
69.07070	1.4
70.06591	5.3
71.04977	0.8
71.54414	0.4
71.54803	0.4
72.08158	7.3
73.02907	0.6
74.06052	0.4
79.05500	2.4
79.05869	0.4
81.03415	1.3
81.07042	1.7
82.06606	0.7
83.04977	2.0
84.04510	0.9
84.08144	7.5
85.02897	2.0
86.09721	2.4
91.05442	2.4
92.05002	2.8
93.03404	1.5
93.07031	1.8
94.06572	0.6
95.04996	2.6
95.05463	0.5
95.08603	1.3
97.02882	1.2
97.06554	0.7
98.97556	3.3
98.98524	0.5
99.04481	0.5
103.05435	0.6
104.04964	0.9
105.07061	2.1
106.06554	3.2
107.04957	1.9
107.08590	1.4
109.02914	0.8
109.06534	0.9
109.10127	1.0
110.07154	0.7
110.18985	0.5
111.04453	2.8
111.08083	0.9
115.05440	0.7
116.04995	1.2
116.62835	0.6
116.98607	2.2
117.07027	0.6
119.04946	1.5
120.08102	1.8
121.02878	1.1
121.06528	2.8
121.10144	1.3
122.06048	2.8
123.04439	1.9
123.08067	1.3
126.05505	0.5
128.98598	0.6
129.10225	1.3
131.04948	0.7
131.06000	0.4
131.08583	0.6
132.04456	11.5
132.05406	0.8
132.08095	3.0
133.06573	0.9
133.07600	1.8
134.01808	2.6
134.06013	5.5
134.99672	1.2
135.02666	0.5
135.04407	1.3
135.08041	0.8
135.11685	0.5
136.03943	6.5
136.07533	1.1
137.05984	0.9
137.09567	0.7
139.03880	0.7
139.07539	1.1
145.06473	0.8
145.10201	0.5
146.05992	0.7
146.99667	0.8
147.03307	0.5
147.04446	1.5
147.08022	0.6
149.02371	5.2
149.05974	1.6
149.07111	2.4
150.05508	12.5
152.07156	0.8
153.02045	0.5
158.99678	1.0
160.02594	1.0
160.03940	17.3
160.07544	0.6
161.00493	0.7
161.05942	1.0
162.01357	5.1
162.05463	1.0
163.02094	0.9
163.03935	1.8
163.11183	1.4
164.03426	24.3
164.07047	1.1
165.00150	0.9
165.05482	0.6
165.09097	0.8
167.07040	1.6
175.03917	0.6
177.00667	1.4
177.06604	100.0
178.07135	0.7
178.08586	4.2
179.01662	0.7
181.12328	0.8
188.03433	6.4
190.00899	2.1
192.99588	0.5
193.04910	0.6
205.04979	1.1
205.07187	0.8
205.12279	1.2
206.04500	10.6
208.01917	1.7
209.01103	1.2
223.04190	9.4
223.07233	4.1
223.10951	2.1
223.13232	1.8
223.14638	1.8
223.16977	1.4
224.09164	1.0
224.12773	0.8
225.04306	13.1
227.02197	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03944	3.5
55.01863	2.2
55.05508	17.6
57.03446	1.7
57.07068	5.5
59.04999	2.6
65.03929	2.1
66.33627	1.2
67.05503	24.1
69.03431	3.9
69.07067	16.7
70.70988	3.8
71.04993	25.5
73.06551	2.7
79.05496	26.9
81.07058	77.2
83.04980	5.0
83.08604	7.5
85.06546	7.1
91.05483	22.2
93.07046	65.9
93.55878	1.5
95.04952	9.6
95.08610	49.9
97.06539	8.5
97.10171	1.9
98.82488	1.5
99.04398	1.7
99.08099	4.8
103.05458	1.5
105.07033	52.0
107.04950	3.4
107.08598	76.4
109.06508	9.9
109.10158	45.7
111.08081	36.8
113.09621	2.2
115.05473	2.2
117.07027	6.2
119.08585	67.3
121.06511	4.0
121.10147	32.3
123.08106	6.7
123.11719	18.4
125.06018	1.8
125.09624	2.5
127.11219	4.9
128.06337	1.6
129.07088	1.7
130.07747	2.2
131.04897	2.5
131.08577	4.4
133.06525	6.9
133.10133	34.4
133.11087	2.8
135.08073	7.5
135.11696	100.0
137.09627	6.6
137.13255	4.0
139.07552	1.7
143.08563	4.7
145.10130	26.5
147.04407	2.0
147.08000	2.5
147.11685	28.5
149.02356	11.4
149.13248	8.4
151.07544	2.8
151.11208	8.9
157.10130	4.9
159.11703	9.6
160.12521	2.1
161.05965	4.9
161.09666	6.6
161.13252	44.2
162.06738	3.1
163.03938	3.4
163.11198	10.5
163.14883	5.4
165.07024	1.9
165.09116	1.8
165.12706	3.9
175.07578	2.5
175.11211	4.6
175.14833	18.5
177.05490	2.1
177.09062	1.6
177.16379	3.1
179.14333	12.0
185.13318	6.6
189.05450	1.8
190.06238	2.2
191.03436	1.6
193.08652	5.6
203.07112	2.0
203.14326	23.2
203.17967	34.3
206.05843	2.8
206.10834	2.3
206.69113	1.5
221.08093	9.4
221.11832	2.2
221.13397	2.0
221.15398	53.7
221.18973	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.67278	1.6
53.03946	2.3
55.05516	18.1
56.39518	1.9
57.03439	3.7
57.07088	3.8
67.05505	25.0
69.03422	3.1
69.07076	19.9
70.22693	8.3
71.05001	24.9
72.08152	4.0
77.03903	2.0
79.05502	27.2
81.07064	98.8
83.04983	4.9
83.08647	9.9
85.06537	3.8
91.05482	29.8
92.45023	2.5
93.07053	52.4
95.04971	6.3
95.08057	3.9
95.08619	55.2
97.06541	6.0
97.10159	2.6
98.21452	2.6
99.08091	5.6
101.71259	1.7
103.05483	5.0
105.07036	52.3
107.04954	5.5
107.07872	3.6
107.08604	72.6
109.06521	6.4
109.10154	40.3
111.08068	8.7
111.11739	2.8
115.05475	4.0
117.07006	6.5
118.04195	1.9
119.04958	6.0
119.08591	65.1
119.85578	2.0
121.06537	5.2
121.10155	23.0
123.08062	6.4
123.11723	20.3
124.80113	1.8
125.09614	3.8
127.11176	7.5
130.04123	3.1
131.04970	5.6
131.08549	2.5
132.05711	5.8
133.06503	8.0
133.09233	3.4
133.10149	38.0
135.04437	5.6
135.08076	4.4
135.11703	100.0
136.12036	2.6
137.05992	3.4
137.09645	7.2
137.13243	3.8
139.11206	2.1
143.08589	3.6
145.10130	7.7
146.03642	2.1
147.04443	14.0
147.08006	2.9
147.11710	34.6
149.02365	4.9
149.13245	12.7
151.11185	4.6
153.09052	2.7
159.11693	6.0
160.05203	5.7
161.06012	10.4
161.09648	5.2
161.13281	23.9
162.06778	5.8
163.03897	15.9
163.07614	2.9
163.11211	2.7
163.14815	8.5
165.01843	3.5
165.06989	2.2
165.09100	4.0
165.12701	3.2
173.00426	2.2
175.03865	4.4
175.07585	4.2
175.11209	4.4
175.14821	15.4
176.14381	2.4
177.05467	5.7
177.16347	3.3
178.06256	9.8
179.10767	2.1
188.04713	4.9
189.05510	3.1
190.06265	19.7
191.03377	10.8
191.06961	4.3
193.08585	18.0
193.10156	2.7
193.15883	3.4
203.07007	2.7
203.10799	5.4
203.14381	9.8
203.17958	46.4
203.19737	3.0
206.05768	12.7
206.10886	3.8
206.16255	3.7
221.06113	3.1
221.08052	44.6
221.11528	4.6
221.13286	7.4
221.15411	25.4
221.19016	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01862	2.3
55.05499	1.9
57.07076	14.9
59.05001	0.8
60.04509	0.7
65.03917	0.7
67.05511	5.5
69.03439	3.5
69.07049	2.5
69.50463	4.7
70.04079	78.9
70.06564	1.1
72.08160	1.3
79.05489	3.2
80.05828	0.9
81.07051	4.2
82.04057	1.7
83.04884	2.1
84.08160	0.7
84.89927	0.6
85.02916	1.1
91.05463	4.2
92.05819	1.1
93.07053	2.9
94.07365	0.7
95.04985	3.2
95.08611	6.3
96.02120	1.4
97.02895	19.7
97.10149	0.9
103.05464	0.7
105.03409	1.5
105.07063	3.4
106.07331	1.5
107.04990	1.4
107.08601	17.6
108.05301	0.7
108.08180	1.1
108.08916	1.3
109.02873	0.8
109.06561	1.6
109.10145	3.0
110.07158	0.7
111.04465	0.6
111.08092	1.1
115.05524	0.8
119.04966	0.6
119.08577	1.5
120.08085	0.6
120.08933	1.1
121.10260	0.6
122.06873	0.7
123.04440	1.4
123.08062	4.9
124.07670	1.2
125.09624	5.6
133.10158	1.0
134.01859	0.9
134.06914	0.8
134.10492	1.4
135.04446	1.2
135.08060	17.2
137.05899	0.9
138.06645	3.1
147.04492	0.8
148.04861	0.7
148.12082	1.4
149.01244	0.6
149.02318	1.4
149.05977	0.8
151.03975	0.9
152.10703	3.2
153.09096	5.0
161.05742	0.8
162.01492	0.7
162.03116	1.7
163.03899	2.1
164.04243	1.5
165.05388	1.0
167.03438	1.2
176.07129	2.1
179.03413	1.5
179.06642	0.8
190.02597	1.6
191.06616	1.2
192.03795	1.2
193.01469	0.6
194.09061	1.0
204.11278	2.9
204.14404	0.9
204.18311	0.8
207.02870	1.5
207.06168	1.5
208.03716	1.0
222.08237	2.6
222.12393	100.0
222.18661	2.5
223.04150	1.0
223.05989	5.0
223.09573	0.9
223.13152	1.1
225.04263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03947	6.1
55.01875	4.4
55.05516	24.0
55.96918	2.3
57.03436	2.7
57.07068	8.1
65.03946	2.7
65.40152	1.7
67.05508	30.9
69.03427	7.5
69.07075	28.3
69.70296	1.8
70.00235	4.4
70.00634	3.9
71.05001	14.0
71.08632	2.2
72.08138	2.5
77.81823	2.0
79.05497	36.0
79.05956	2.0
81.03395	2.6
81.07063	100.0
83.04993	6.4
83.08626	18.0
83.58137	1.9
83.92150	2.1
85.06548	5.1
87.69194	2.0
91.05477	34.6
93.07051	54.4
95.04970	10.9
95.08610	65.7
97.02880	3.6
97.06550	8.1
97.10184	6.6
99.08093	4.8
102.04652	3.8
103.05473	5.0
104.06257	3.3
105.03397	3.3
105.07037	60.7
107.04969	8.3
107.08605	77.3
109.02866	2.3
109.06506	12.0
109.10162	43.8
111.04431	3.5
111.08049	10.0
111.11747	2.2
113.09671	2.0
115.05495	4.7
117.06997	9.4
118.04174	2.3
119.04955	8.8
119.08590	70.0
121.02946	2.1
121.06517	7.5
121.10152	26.3
123.04423	2.5
123.08063	13.4
123.11707	24.7
125.06007	7.3
125.09638	4.2
127.11192	4.4
129.07050	2.3
130.04187	2.5
131.04930	12.6
131.08577	7.0
132.05740	7.0
133.06493	12.0
133.10133	52.7
135.04439	6.9
135.08058	7.8
135.10678	4.5
135.11703	80.4
137.05974	7.3
137.09618	9.6
137.13237	4.3
139.11215	3.8
143.05052	2.0
143.08594	4.6
145.06586	2.2
145.10152	9.7
146.03676	2.8
147.04405	12.6
147.08067	11.3
147.11696	40.0
149.02318	12.9
149.05963	2.7
149.13249	11.1
151.03903	2.2
151.07550	6.3
151.11192	6.4
157.10135	3.8
159.04440	2.7
159.11768	5.6
160.05247	7.7
161.06010	12.8
161.09590	9.8
161.13269	37.2
162.05507	2.2
162.06728	9.3
163.03934	17.9
163.07594	4.1
163.11256	4.3
163.14848	11.7
165.05452	6.0
165.06876	2.4
165.09157	8.2
165.12779	7.3
172.89706	2.0
173.02422	2.0
174.03206	2.0
175.03932	6.9
175.07558	6.0
175.11209	5.7
175.14819	25.2
176.04646	2.6
177.05507	7.2
177.16408	6.1
178.06360	9.4
178.07726	3.2
179.07034	4.2
179.08482	3.0
179.10767	2.5
179.14343	3.2
185.09515	2.5
185.13301	6.4
188.04689	7.9
189.05505	5.1
190.06277	20.8
191.03401	11.1
191.07086	2.7
191.08575	2.1
193.08624	19.1
193.10139	3.5
193.15863	3.1
203.03406	2.1
203.07024	5.1
203.10716	4.5
203.14314	18.2
203.17979	41.3
206.05777	19.8
206.10997	5.3
206.16260	5.3
221.04509	2.5
221.06058	3.1
221.08067	54.7
221.11377	19.0
221.13350	10.2
221.15302	45.6
221.19000	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	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.67101	0.9
53.03936	2.0
55.05515	11.0
57.07066	3.6
60.79830	0.9
67.05238	0.9
67.05513	10.6
69.07075	14.2
69.45770	5.8
69.46172	2.4
71.04994	19.4
73.06553	1.3
79.05495	14.4
81.07062	56.7
83.04972	0.9
83.08607	6.8
85.06549	1.9
87.08094	1.2
91.05489	9.9
93.07049	37.7
95.04949	2.2
95.08609	28.6
97.06548	2.2
97.10158	3.2
99.08076	4.5
105.07037	25.3
107.04977	1.4
107.08602	59.9
109.06506	2.1
109.09463	1.6
109.10172	23.4
111.08077	2.9
111.11741	1.3
116.59355	1.1
117.07024	1.1
119.08583	41.9
121.06482	1.2
121.10158	11.7
123.08041	2.8
123.11723	12.8
125.09639	2.5
127.11202	3.6
133.10143	21.7
133.11111	2.0
135.11702	100.0
137.09595	3.8
137.13252	3.2
139.11148	1.6
145.10144	2.8
147.04425	1.6
147.08128	1.1
147.11694	23.1
149.13274	7.0
151.11185	4.2
159.11728	1.0
160.05258	1.1
161.05977	2.1
161.13292	7.9
163.03941	2.3
163.14847	4.4
165.12761	3.4
171.81544	1.0
175.14828	3.9
175.73032	1.1
177.12791	2.5
177.16451	2.9
178.06377	1.4
188.04631	2.3
189.05531	1.3
190.06274	3.3
193.08540	2.6
193.19588	1.4
203.17976	34.1
206.05801	2.8
221.08086	8.6
221.15398	2.8
221.19025	53.4
223.42448	1.0
240.18797	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03946	2.1
55.01873	1.2
55.05515	15.0
55.53861	0.8
57.03441	1.1
57.07078	5.5
59.04993	1.1
60.59374	0.6
62.00089	0.7
65.03945	1.0
67.05169	1.0
67.05503	12.7
69.03423	1.0
69.06725	1.0
69.07076	14.3
71.04996	17.3
71.08642	1.0
71.55754	0.7
71.56187	0.9
73.06548	1.0
75.17012	0.7
79.05065	1.4
79.05502	20.9
81.03435	1.0
81.07064	37.8
83.04978	3.2
83.08628	8.6
85.06537	3.0
86.00494	0.6
87.08118	0.9
91.04897	1.1
91.05478	20.8
93.07050	42.1
95.04978	3.9
95.08611	28.3
97.06537	2.6
97.10175	3.3
99.08100	3.7
103.05445	1.3
105.07037	28.4
107.04955	1.4
107.08601	70.5
109.06505	5.1
109.10165	20.7
109.10912	1.2
111.08091	2.7
111.11708	0.8
113.09641	0.7
117.07037	2.3
119.06182	0.8
119.08588	37.0
121.06544	2.3
121.10155	12.0
123.08080	5.4
123.11711	19.6
125.06026	0.8
125.09631	2.2
127.11201	2.5
128.06316	0.9
131.08591	3.1
133.06529	1.2
133.10133	30.7
135.11700	100.0
137.06001	1.0
137.09625	2.8
137.13263	3.0
139.11200	2.1
143.08592	2.3
145.10097	3.4
147.04404	1.0
147.08087	4.3
147.10550	0.7
147.11690	18.5
147.21417	0.8
149.02396	1.4
149.13269	7.3
151.11218	5.6
152.07248	0.7
157.10136	1.0
159.11684	3.2
160.12502	1.7
161.05945	0.8
161.09644	2.5
161.13272	22.6
163.03935	1.0
163.14833	4.9
165.05530	1.2
165.06944	0.9
165.09088	1.2
165.12781	3.2
175.11192	2.0
175.14812	4.3
177.16397	1.3
185.13269	3.1
193.08650	0.9
203.06979	0.8
203.10612	1.0
203.14339	7.1
203.17970	26.8
204.63385	0.8
206.05757	1.4
206.10909	2.1
206.16232	1.4
221.08005	3.0
221.11682	1.9
221.13295	3.4
221.15471	9.8
221.19031	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Penienone
Peak:m/z	Relative Intensity
53.03938	2.2
55.05511	6.7
57.07069	5.8
67.05512	10.5
69.03429	4.3
69.07083	8.8
69.21388	5.0
69.21798	13.9
79.05061	4.2
79.05495	40.1
81.07059	40.3
83.04998	2.7
83.08621	7.8
91.05469	19.5
93.03411	2.2
93.07052	13.3
95.04977	5.0
95.08634	11.1
97.06544	12.7
97.10155	2.8
98.21584	3.3
105.07057	13.7
107.04958	7.9
107.08624	8.7
109.06516	9.8
109.10161	6.7
111.04459	2.0
113.91507	1.7
119.04940	3.3
119.08590	25.9
121.10152	10.4
123.08038	5.2
125.06004	100.0
129.07062	2.1
131.08543	4.2
133.06503	4.1
133.10138	14.4
135.08032	2.7
135.11714	5.3
137.05980	25.0
137.09630	4.0
143.08549	3.7
145.10126	5.1
147.08075	13.7
147.11707	5.2
151.07491	2.8
157.10104	3.4
159.11717	4.6
161.09666	6.7
161.13243	5.0
165.00543	2.1
165.09100	14.4
175.14867	21.7
185.13316	8.8
191.08545	3.9
193.15927	1.9
203.14328	50.7
205.10159	2.0
206.10898	7.1
221.13245	13.1
221.15392	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.51453	1.0
53.03944	3.1
54.88641	0.9
55.01867	1.4
55.05515	16.0
55.09682	1.0
55.32437	0.9
57.03433	2.3
57.07065	5.1
57.28623	0.9
59.04997	3.6
65.03931	1.7
66.01012	1.0
67.05169	2.0
67.05508	22.9
69.03432	3.0
69.07070	19.4
69.60140	1.0
70.02764	4.9
71.04993	29.9
77.03924	1.2
78.04727	1.1
79.05501	28.1
81.07063	85.6
83.04978	4.8
83.08625	8.8
85.02898	1.6
85.06551	6.6
91.05479	21.7
93.07047	74.2
95.04981	9.8
95.08612	51.5
95.09238	1.6
97.02912	1.6
97.06535	8.2
97.10168	3.7
97.31071	0.9
99.04496	1.7
99.08102	5.1
103.05476	3.4
105.07037	54.9
107.04963	3.6
107.08599	84.7
109.06519	9.7
109.10162	57.5
111.04489	1.4
111.08085	45.6
113.09650	2.8
115.05447	1.6
117.07041	7.4
119.04976	1.1
119.08585	74.8
121.06505	3.8
121.10146	43.2
123.08066	7.6
123.11713	19.5
125.05991	2.4
125.09642	3.0
127.11234	4.1
128.06239	1.7
129.07074	2.3
130.07793	2.1
131.04912	1.7
131.08586	4.3
132.05753	1.4
133.06514	5.6
133.10138	37.2
135.04413	1.0
135.08066	8.4
135.11697	100.0
137.05966	2.5
137.09625	5.4
137.13269	3.9
139.07545	2.6
139.11179	1.6
143.08568	6.7
144.09473	1.5
145.09036	2.1
145.10136	31.0
147.04428	2.3
147.08061	6.3
147.11690	26.8
149.02367	8.7
149.13268	9.0
151.07547	2.3
151.11188	9.5
153.09087	1.7
157.10138	6.2
159.04558	1.7
159.11713	14.8
160.12280	1.1
161.05968	7.1
161.09616	6.6
161.13258	46.0
162.06856	1.3
163.03885	2.7
163.07555	1.2
163.11195	14.4
163.14856	3.0
165.07014	2.3
165.09152	4.1
165.12776	3.0
170.10959	1.3
173.13364	1.3
175.03918	1.6
175.07550	2.3
175.11232	4.4
175.14835	25.3
177.05554	2.0
177.12767	1.3
177.16428	4.6
178.06342	1.5
179.14310	14.2
179.34354	1.0
185.13297	9.9
189.05527	1.7
190.06282	3.3
191.07072	1.5
193.06984	1.0
193.08549	5.0
193.15955	1.8
198.21768	1.0
203.10956	1.3
203.14340	28.9
203.17967	33.0
206.05754	3.5
206.10966	1.6
206.16238	2.5
221.06093	1.6
221.07967	9.4
221.11732	3.3
221.15402	71.2
221.18959	39.7
221.21576	1.8
221.22154	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03929	4.3
55.01876	2.7
55.05514	20.0
57.07085	9.1
59.04985	2.5
67.05506	19.3
67.11575	1.4
69.03419	2.3
69.07071	21.9
69.46208	12.0
71.04997	21.2
72.08146	2.0
79.05499	31.8
81.03403	3.0
81.07062	58.7
83.04956	3.0
83.08621	10.4
85.06545	3.3
91.05472	27.0
93.07050	62.5
95.04978	11.8
95.08063	2.3
95.08618	35.8
97.06533	4.7
97.10177	3.3
99.08095	4.9
105.07034	36.2
107.04947	5.3
107.08604	86.7
109.06531	12.2
109.10158	25.9
111.08089	4.5
117.07044	3.2
119.08586	46.8
121.06487	3.2
121.10140	17.0
123.04407	1.9
123.08097	11.5
123.11701	15.5
125.05969	2.9
125.09620	2.4
127.11189	2.3
128.06206	1.8
129.07019	3.2
131.04921	2.1
131.08562	5.6
132.91449	1.6
133.06512	3.1
133.10135	35.2
135.08038	3.4
135.11703	100.0
137.05965	4.3
137.09595	5.3
137.13292	4.6
139.11134	2.2
143.08519	3.2
145.10130	3.7
147.04413	2.0
147.08110	3.4
147.11703	25.8
149.02341	3.8
149.13252	5.5
151.07553	2.0
151.11186	6.1
157.10176	3.2
159.11664	3.5
161.09595	5.3
161.13281	21.8
163.11223	1.8
163.14856	6.3
165.05527	3.7
165.09073	1.8
165.12733	4.2
174.14075	1.5
175.07536	3.0
175.11168	3.3
175.14867	12.5
177.05452	2.4
177.12598	2.4
177.16409	2.1
178.06239	2.1
179.14297	2.3
185.13225	6.4
186.34489	1.6
190.06281	2.5
191.08603	2.5
193.08620	3.0
193.10239	2.6
193.12221	1.8
193.15895	2.6
203.10693	1.8
203.14323	6.3
203.17941	29.4
206.05711	2.0
206.10988	3.7
206.16270	5.4
221.04382	2.2
221.06203	2.4
221.07965	9.1
221.11693	6.9
221.13235	7.1
221.15349	28.8
221.19003	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	221.1535
Annotation	Dehydrocarissone
Peak:m/z	Relative Intensity
53.03931	6.6
55.01862	6.0
55.05272	1.6
55.05513	24.6
57.07056	6.3
63.17883	1.7
65.03934	3.0
67.05505	43.9
69.03386	1.7
69.07066	17.2
71.04995	18.8
71.55563	1.7
79.05495	59.1
81.03407	4.3
81.06593	3.5
81.07061	65.3
83.04974	11.2
83.08611	10.2
85.02899	10.5
85.06532	4.4
91.05477	54.1
93.07049	77.0
95.04974	82.5
95.08612	40.2
97.06542	22.1
97.10147	3.4
98.97572	7.7
105.06393	3.2
105.07037	42.6
107.04956	25.0
107.07870	2.9
107.08592	51.6
107.97800	1.8
108.05730	3.9
109.06524	18.4
109.10152	13.9
111.04450	17.6
111.08076	6.5
116.98563	2.3
117.07026	13.0
119.07787	2.9
119.08584	41.7
121.06503	13.4
121.10144	15.3
123.04404	3.3
123.08047	7.3
123.11662	2.4
125.05998	3.7
125.09619	2.0
128.06194	2.9
129.07065	8.4
131.08539	8.5
131.28085	1.7
133.06490	14.2
133.10114	17.1
134.99727	1.9
135.08002	5.9
135.11716	11.6
137.05945	2.3
137.09569	4.7
143.08566	13.8
145.10107	8.3
147.04340	2.2
147.08003	5.3
147.11693	7.0
149.02342	2.3
149.13220	2.9
151.07574	1.9
157.10083	7.1
158.99649	2.0
159.11708	8.7
161.05968	2.2
161.09589	7.3
161.11986	2.7
161.13252	29.8
163.03972	2.2
163.11162	15.9
163.14778	7.8
165.05472	3.6
165.09134	3.7
170.99591	1.6
175.11153	5.1
175.14810	11.0
177.00691	2.9
177.12692	2.3
179.14325	21.4
182.46883	1.7
185.13272	15.6
189.09521	2.6
193.08533	2.7
203.14328	16.9
203.17921	3.2
206.05754	2.8
206.10922	2.0
206.16142	4.6
221.08154	7.9
221.11685	6.5
221.13376	6.8
221.15346	100.0
221.18845	6.0
231.78825	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02382	0.6
53.03943	5.4
55.01864	2.4
55.05508	8.3
57.03435	0.6
59.04990	0.5
65.03948	1.9
67.05508	11.9
69.07070	10.6
69.89071	2.6
71.05000	3.3
73.06576	1.2
77.03915	1.0
79.05496	60.9
80.05827	0.5
81.03410	0.7
81.07061	37.6
83.04988	2.3
83.08621	5.4
85.02914	0.5
85.06548	3.9
87.04499	0.6
91.05486	39.3
93.07048	100.0
94.07408	0.5
95.04963	8.3
95.08617	16.2
95.73328	0.5
97.06516	1.1
97.10147	0.6
98.21546	0.7
99.08074	0.6
101.06015	1.2
105.04532	2.6
105.07035	31.8
107.04972	0.6
107.08599	68.7
108.08941	0.8
109.06521	4.9
109.10156	2.1
111.08050	0.9
113.06020	0.8
113.50488	0.5
117.07030	4.9
119.06134	1.0
119.08584	32.7
121.06543	3.0
121.09315	1.1
121.10149	16.3
123.08070	3.9
124.37521	0.5
127.07565	1.5
128.06218	0.9
129.07008	2.9
131.08569	7.9
133.06473	0.6
133.09253	0.4
133.10133	9.7
135.08064	2.1
135.11725	1.9
137.09610	1.1
139.07529	0.9
143.08562	8.2
145.10138	1.0
147.08014	2.6
147.11681	3.9
151.07404	0.5
153.09030	0.6
157.10130	3.7
159.11700	8.0
161.09648	5.2
161.13264	30.8
165.09108	1.5
175.11205	5.3
175.14809	6.1
179.10722	1.0
185.13271	17.0
203.14337	10.5
221.13409	1.2
221.15363	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	221.1536
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.50795	0.7
51.51030	0.8
53.03945	4.6
55.01867	2.2
55.05515	10.8
56.96549	1.3
57.07059	1.6
58.53104	0.7
65.03931	3.0
67.05186	1.4
67.05510	23.1
69.06728	0.8
69.07075	11.4
71.04996	4.0
71.55594	1.0
71.55956	1.0
77.03942	1.3
79.05498	62.4
80.05829	0.9
81.07059	38.9
83.04978	2.1
83.08599	3.6
85.06551	6.0
85.31785	0.7
87.04470	2.2
91.05486	45.1
91.22257	0.7
93.07049	100.0
94.07391	1.2
95.04979	9.4
95.08614	17.5
97.06519	2.1
98.02951	1.0
101.05989	1.6
103.05457	0.8
105.04499	3.1
105.07034	32.1
107.08601	68.3
108.08929	1.7
109.06505	3.8
109.10178	4.3
110.09636	0.9
111.08067	1.7
113.05976	1.3
115.05199	0.8
117.06995	6.4
119.06020	1.1
119.08586	49.4
121.06526	4.5
121.10151	32.1
123.08047	4.5
127.07535	1.1
128.06200	2.1
129.07007	4.1
131.08539	8.5
133.10121	14.3
135.08043	4.0
135.11658	2.2
137.09567	2.3
139.07535	1.5
143.08578	9.1
145.10147	1.9
147.08005	3.3
147.11693	6.6
149.09587	1.0
151.07584	1.1
157.10135	4.6
159.11710	9.5
161.09639	5.7
161.13264	42.0
165.09100	3.2
170.10928	0.8
174.61563	0.8
175.02797	1.2
175.11198	5.9
175.14827	12.0
178.07733	0.9
179.08618	1.0
179.10559	1.7
185.13251	21.8
192.09210	1.0
193.03838	1.3
203.14330	17.3
206.10927	3.0
206.16200	3.7
212.34583	0.9
212.36525	1.0
217.07390	1.1
218.25520	0.9
221.04480	0.9
221.07813	1.0
221.13271	5.3
221.15355	48.6
221.18771	2.6
222.15685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03960	2.6
55.01885	1.1
55.05509	5.7
55.05718	0.6
57.07077	1.3
57.14269	0.6
59.05009	1.5
59.38578	0.6
65.03943	1.2
67.05505	16.0
67.05827	1.1
69.03447	0.9
69.07082	5.9
69.07433	1.1
70.06725	2.8
71.05019	1.0
72.46294	0.8
73.06573	0.8
79.05496	23.8
81.07062	14.1
83.08635	3.5
85.02924	0.8
85.06558	1.9
91.05481	34.4
92.79887	0.7
93.07047	33.1
95.04964	7.2
95.08614	6.4
97.06554	1.7
101.06032	1.0
105.07031	32.6
107.04915	0.7
107.08584	10.0
109.06539	1.8
109.10168	1.6
117.07006	4.2
119.08589	18.9
121.06510	2.0
121.10172	4.3
123.08071	2.8
126.29519	0.7
128.06259	1.1
129.07002	9.6
131.08530	2.1
133.06569	1.3
133.10152	7.7
135.08072	1.8
135.11729	1.5
137.09650	2.1
143.08566	7.3
145.09050	0.9
145.10135	12.2
147.08046	3.0
147.11690	100.0
148.12047	1.3
157.10121	0.9
159.11702	1.5
161.09619	3.1
161.13266	17.6
165.09111	2.8
171.10254	1.5
171.11697	30.3
175.07457	1.0
175.11198	1.1
175.14815	1.0
179.14278	2.3
189.11087	1.3
189.12759	26.8
191.08543	0.8
193.12143	0.7
203.14278	2.7
206.10843	2.0
206.16200	2.1
221.11461	1.3
221.13234	3.2
221.15340	22.9
221.17538	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
55.05499	0.8
56.83828	0.5
56.96561	3.7
57.03421	1.4
57.07066	0.8
60.75077	0.6
61.02919	1.6
67.05510	0.7
69.03416	1.5
70.06586	1.9
70.74942	1.5
72.08160	15.5
73.02908	1.2
74.02420	0.9
74.30784	0.5
74.43620	0.5
77.00878	0.6
77.03916	0.6
81.03438	0.6
82.02931	2.4
84.08136	1.5
85.02904	1.3
90.05549	0.8
91.05441	1.0
94.06571	5.4
95.01305	1.0
95.04983	1.1
95.08627	0.6
97.02890	1.9
98.06031	0.6
98.20724	0.6
98.97596	3.2
99.04440	0.6
100.02475	1.0
101.00869	1.1
101.02462	0.5
103.04044	0.6
103.05446	1.2
104.04977	0.5
107.04903	0.7
107.08560	0.5
109.02841	0.5
110.07173	0.7
111.08098	0.9
114.09167	0.6
115.05501	0.9
116.98606	1.5
119.01920	1.6
120.08103	1.3
121.01685	0.9
121.06489	1.9
128.98589	0.7
130.06538	66.5
131.01891	0.9
132.04462	44.3
133.01639	0.6
133.03488	0.8
134.99638	1.2
136.06128	0.8
136.07568	0.6
137.05974	1.1
141.05508	1.1
144.10210	0.7
146.06094	0.5
147.04379	0.6
148.07591	3.2
153.09058	0.7
156.06828	0.7
156.97427	1.3
157.06335	1.2
157.07629	26.8
158.06023	83.4
159.06351	1.0
168.10231	1.6
174.98616	0.7
175.00902	0.9
175.08684	100.0
176.07085	2.8
176.08919	0.9
185.12854	0.8
186.05489	2.3
186.11299	2.2
193.03783	0.7
198.02501	1.3
203.08199	3.9
203.11066	0.7
204.06580	4.1
216.99998	0.7
221.03064	2.5
221.04887	1.2
221.09239	18.0
221.12895	0.8
221.15158	2.0
222.07646	0.9
222.11398	0.9
232.91995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05506	0.6
56.96559	1.4
63.30501	0.6
67.05486	0.9
69.03417	0.8
69.55875	2.2
69.56298	2.1
70.06590	1.1
72.08158	5.3
73.02888	0.8
74.02431	1.3
81.07059	0.8
82.02924	1.9
84.08126	1.2
90.05560	2.1
91.05466	1.4
94.06572	4.9
95.04967	0.8
97.02888	0.6
98.02350	0.6
98.97578	1.7
103.05473	0.8
103.60760	0.5
104.04994	0.6
107.08556	0.6
108.78040	0.6
109.10157	1.2
110.07191	0.8
111.08080	1.2
115.05431	1.1
119.08606	0.7
120.08121	0.6
123.04353	0.6
130.06537	73.4
131.06876	0.8
132.04463	43.0
136.07585	1.0
137.05951	1.3
147.04462	1.7
147.09248	1.0
148.07593	3.8
148.33929	0.7
149.04837	0.6
153.09193	0.8
155.04695	0.8
155.54822	0.8
157.07632	37.2
158.06024	82.9
159.06364	1.4
161.06032	0.9
163.30421	0.6
175.08687	100.0
176.07114	1.2
176.09013	1.1
186.05544	1.8
186.11240	0.7
203.08185	14.6
203.11017	0.8
204.06607	2.7
221.09253	17.9
221.12648	0.9
221.15160	1.5
222.11198	1.0
227.78471	0.6
240.58965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Penienone
Peak:m/z	Relative Intensity
53.03928	5.0
55.01855	1.7
55.05509	9.8
57.03424	1.8
57.07066	2.7
63.30662	1.3
63.98417	1.2
65.03926	3.2
67.05508	18.2
69.03417	3.1
69.07072	9.4
71.04976	4.4
78.04691	1.5
79.05498	25.7
81.03414	7.5
81.06587	2.2
81.07059	36.8
83.04959	4.2
83.08601	5.1
85.06558	2.2
91.05480	22.9
93.07050	22.5
94.04158	4.4
95.01333	2.5
95.04974	14.1
95.08606	22.6
97.06512	3.3
99.04465	2.5
103.05463	1.4
105.03371	2.5
105.07034	33.5
107.04943	5.5
107.08594	23.1
109.02879	16.7
109.06525	16.9
109.10165	13.1
111.04429	4.5
111.08068	4.3
115.05461	1.5
117.07004	4.3
119.04916	4.3
119.08587	43.2
121.06503	6.5
121.10156	15.3
122.03632	1.9
123.03586	1.8
123.04388	9.2
123.08041	4.7
123.11716	3.5
125.05976	5.2
125.09650	1.7
127.03880	1.9
128.06201	3.1
129.06981	5.1
131.04916	2.3
131.08548	5.4
133.06459	5.2
133.10149	23.5
135.04405	1.5
135.08018	3.3
135.11656	5.4
137.05992	12.2
137.09598	3.9
139.07513	4.9
142.07751	2.4
143.08595	7.1
145.06418	1.7
145.10124	5.5
147.04407	4.2
147.08006	8.3
147.11690	25.6
149.02376	2.4
149.13248	4.3
150.03093	6.2
151.03902	3.6
151.07538	5.2
157.10188	6.8
159.11734	3.7
161.05971	3.4
161.09679	10.1
161.13272	14.8
163.03841	1.7
163.11250	1.8
164.04684	3.0
165.05493	27.3
165.09109	5.6
167.07042	2.0
175.02744	1.7
175.11220	9.3
175.14832	30.0
177.05482	2.2
179.07060	20.0
179.08556	2.7
179.10573	1.8
185.13272	7.2
188.08287	2.1
189.09093	3.6
190.06102	1.7
191.06981	2.1
193.12231	2.5
193.15842	3.0
194.42062	1.3
200.58940	1.7
203.10710	8.3
203.14375	18.3
203.17946	4.3
206.05768	1.8
206.10889	2.0
206.16226	3.3
221.04407	3.4
221.08052	7.1
221.11711	100.0
221.15109	25.9
221.18805	3.5
222.11984	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	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.19114	0.6
55.01866	1.2
55.05508	1.6
56.09753	0.6
57.03424	0.6
57.07083	6.0
59.05003	4.9
60.56107	0.6
67.05507	4.7
69.07075	5.2
70.02955	7.8
70.05190	1.8
70.05582	1.5
71.01376	0.8
72.04209	0.6
72.04521	15.4
72.08164	1.2
73.02930	2.8
74.02432	1.8
75.04515	0.7
79.34527	0.6
83.04976	1.5
85.06548	11.1
86.09699	1.4
87.08121	1.8
90.05560	100.0
95.04977	7.2
96.08137	2.3
98.02422	16.3
100.03960	3.3
103.03970	0.8
103.07581	6.6
104.04319	0.8
108.98210	0.6
112.07602	0.7
113.06004	2.4
116.03455	13.6
124.07600	18.9
128.84601	0.6
130.08607	0.9
131.07068	1.2
136.37679	0.8
142.08638	7.1
156.10242	0.9
157.83839	0.6
160.03204	1.4
160.09698	2.5
166.08659	2.7
174.11292	1.8
176.43451	0.7
184.09694	21.3
194.68745	0.6
202.10754	29.8
203.11192	0.7
205.15857	2.4
220.11813	29.4
220.17879	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1698
Annotation	Fabianine
Peak:m/z	Relative Intensity
67.60602	0.2
71.14413	0.5
76.79715	0.2
77.27304	0.2
81.07043	0.2
82.07421	0.3
91.05507	0.3
95.08637	0.3
97.02885	1.0
105.06998	0.3
106.06495	0.3
107.08587	0.2
118.06548	9.1
120.08080	0.3
122.10470	0.3
130.07379	0.3
132.08098	2.7
132.08961	0.4
133.08861	0.9
134.09639	0.7
146.09633	2.7
147.10414	0.5
148.11101	0.3
160.08366	0.5
160.11168	0.4
162.09146	5.3
175.07108	0.8
176.10779	4.0
176.14359	25.6
177.11475	1.3
177.14656	0.5
190.09537	1.2
190.12271	2.8
191.13011	0.4
202.09438	0.5
202.16000	0.7
204.13737	0.3
205.15874	0.6
220.10516	1.5
220.16972	100.0
221.17297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
52.91622	0.5
55.05500	0.7
55.86589	0.5
57.07061	0.8
61.31931	0.5
62.70992	0.5
67.05495	1.1
69.07068	0.6
70.06571	2.0
70.13203	2.1
72.08144	1.4
74.04554	0.4
77.08123	0.4
81.07031	1.4
82.02922	2.0
90.86009	0.5
91.05435	1.2
91.23568	0.7
93.06992	0.5
94.06572	3.1
97.02837	0.5
103.05437	0.6
104.04973	0.6
105.07003	1.1
107.04965	0.8
107.08607	0.8
109.10116	0.7
111.08087	1.3
116.07072	1.1
119.04920	0.8
119.08572	1.2
120.08107	1.1
121.06519	1.1
127.07040	0.8
130.06534	51.4
131.04927	1.1
131.06857	0.5
132.04459	35.9
133.10103	0.6
133.17236	0.4
137.05914	0.7
137.09618	0.8
138.48805	0.5
147.04385	1.0
147.06390	0.7
147.08014	0.9
147.09137	0.7
148.07626	1.2
149.05978	0.7
157.06363	1.0
157.07631	21.8
158.06021	73.8
159.06337	1.0
161.05975	1.6
162.05511	0.7
175.03879	1.3
175.08681	100.0
176.07121	2.2
176.09032	1.5
177.05467	0.9
186.05527	1.9
187.42047	0.5
193.15936	0.6
203.08293	1.2
204.06543	5.1
221.04524	0.7
221.09247	22.5
221.15366	1.5
221.18285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	0.3
58.06593	0.7
61.70084	0.1
69.66317	0.3
69.66723	0.8
72.08153	0.2
72.93737	0.1
84.08127	0.2
90.05553	0.4
91.05486	0.7
93.07023	0.2
95.04967	0.2
97.02903	1.3
98.09690	0.3
98.21520	0.2
104.04940	0.2
105.03401	1.2
105.15938	0.2
106.07378	0.2
120.08086	0.2
121.10168	0.2
122.10496	0.2
123.04405	0.3
132.04459	2.2
133.02873	0.2
133.10101	0.2
136.06198	0.2
146.10445	0.2
148.07591	0.4
150.05502	2.0
160.03925	0.7
160.12108	0.2
161.04367	0.5
161.06012	0.2
174.09106	0.1
176.10683	1.2
177.12784	0.3
178.04994	100.0
179.05406	0.9
180.05321	0.3
190.09453	0.4
192.06480	0.3
201.06593	0.3
202.09393	0.3
202.16420	0.2
203.50337	0.2
204.14708	0.4
205.15903	2.6
206.04491	21.4
207.04837	0.2
220.06052	26.4
220.13332	1.1
220.17845	2.2
221.06345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
53.74537	1.1
55.01884	6.4
55.05506	2.2
56.05034	2.4
56.96566	6.0
57.03445	10.5
57.07085	9.5
58.99869	2.5
59.05005	6.5
60.04533	8.4
61.02933	39.1
61.04050	1.8
67.05516	6.2
68.05018	1.8
69.03439	13.6
69.07079	6.7
70.02963	8.8
70.06598	6.4
71.01358	1.9
71.04983	3.1
71.54845	2.2
72.04522	19.2
72.08166	16.8
73.02930	22.9
73.08484	6.6
74.02427	3.5
74.06091	4.1
77.00880	1.1
79.05483	1.2
80.05010	1.2
81.03418	8.4
81.07067	1.4
82.06575	4.6
83.04980	2.3
84.04514	7.1
84.08134	4.7
84.96054	2.3
85.01458	2.0
85.02907	23.4
85.06553	15.2
85.08472	4.2
86.03677	1.4
86.09715	7.0
87.04469	3.4
87.08157	1.5
87.10031	6.4
88.04012	1.3
90.05565	100.0
91.03972	10.4
91.06445	1.4
94.02684	1.6
94.06580	32.5
94.49577	1.1
95.01373	2.3
95.04968	9.1
96.04487	4.2
96.08131	3.8
97.02895	28.4
98.02431	14.1
98.06063	1.3
98.97594	4.0
99.04482	2.8
100.02447	1.4
100.03967	4.2
101.00894	5.5
101.02404	2.7
102.02432	2.3
103.02476	7.0
103.03131	2.2
103.07600	8.1
105.07052	1.4
107.03468	1.4
109.02937	4.4
110.06047	2.4
110.09644	1.8
111.02937	5.0
112.07613	1.3
113.02388	6.9
113.06023	2.6
113.53252	1.5
114.05529	4.8
115.02457	3.5
115.03964	1.3
116.02636	2.6
116.03452	19.5
116.07139	1.4
116.98601	1.8
119.01936	17.1
119.03628	1.6
120.02020	2.8
121.01561	1.3
121.03553	6.4
121.10197	1.9
123.02943	1.6
124.03881	1.7
124.07616	18.8
126.02554	2.6
126.03399	2.1
127.03953	5.8
128.03436	1.8
128.07086	5.4
128.10748	3.5
130.03737	1.2
130.08673	4.7
131.01900	8.2
132.06551	1.9
133.03482	40.1
134.03595	7.2
135.03081	3.4
135.03999	1.9
137.02893	1.9
138.03351	1.5
139.02536	1.5
139.04221	13.5
142.05000	3.5
142.08649	9.8
143.01894	4.7
144.99840	3.0
145.03474	5.6
147.05074	2.6
148.04776	26.4
148.54826	5.0
149.01167	1.8
149.04738	1.4
150.07616	1.4
151.04529	17.7
152.04640	2.5
155.01917	4.6
156.05162	2.3
156.06561	6.1
156.10231	4.4
157.03496	5.0
159.55562	4.2
160.01085	1.9
160.03062	2.0
160.06062	3.4
160.09708	2.3
161.02937	5.9
166.08658	2.9
169.03568	2.2
173.02943	5.6
174.05786	2.1
174.07652	4.5
174.09999	2.6
174.11426	9.5
175.04561	19.5
176.04739	2.3
178.03600	1.3
178.07095	1.7
181.03632	1.5
184.09711	20.3
185.02954	3.5
187.00891	2.0
187.04539	13.3
188.04642	1.5
189.02510	1.6
189.06062	3.0
196.04437	2.2
197.01021	2.3
197.02925	2.6
197.26329	1.3
198.02541	1.3
199.04567	2.8
201.06117	4.6
202.07108	2.0
202.10754	30.8
202.12236	1.6
203.04008	3.4
203.11198	1.5
204.14680	4.1
205.15910	17.9
211.04524	4.1
215.00325	3.3
215.03970	1.6
217.05634	8.7
219.07135	1.4
220.04802	6.2
220.06453	2.4
220.08057	3.5
220.09886	2.8
220.11795	38.4
220.13757	12.1
220.17799	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	219.1745
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
51.02377	0.4
51.93546	0.3
53.03944	2.0
55.01873	1.5
55.05517	7.4
56.87078	0.3
57.03435	0.6
57.07064	0.9
57.83503	0.3
61.45023	0.3
65.03931	1.1
67.05511	21.5
69.03411	1.3
69.06738	0.3
69.07076	5.3
69.33524	0.6
69.33930	2.4
71.04982	0.6
77.03925	0.6
79.05500	25.7
81.03431	3.6
81.07065	22.5
83.04977	0.9
83.08632	2.7
85.06522	0.4
85.41319	0.3
91.05487	28.0
92.05839	0.4
93.07053	24.8
95.04983	3.7
95.08614	12.9
97.06532	1.7
97.10184	1.7
99.08083	0.5
100.49986	0.3
103.05444	0.9
105.04507	0.9
105.07043	10.4
107.04965	7.7
107.08601	12.4
109.06547	2.3
109.10159	4.8
109.63775	0.3
111.08081	1.0
113.09634	0.8
115.05446	0.4
116.06225	0.3
116.54513	0.3
117.07027	9.3
117.07851	0.5
119.08593	9.2
121.06512	4.5
121.10150	9.4
123.08065	1.4
123.11671	0.7
125.09630	0.4
129.07025	0.6
130.07788	0.5
131.08582	15.5
131.17519	0.3
133.10144	5.0
135.08110	1.5
135.11703	4.9
137.09645	1.0
137.13240	0.4
139.11160	0.3
145.10133	7.9
146.61011	0.3
147.11699	1.4
149.09561	0.5
149.13271	0.8
153.12781	0.6
159.11728	4.0
161.13329	1.5
163.11177	0.5
173.13277	1.8
175.14842	0.8
177.12564	0.4
178.38838	0.3
191.18016	0.5
201.16382	3.2
203.14278	2.6
216.35187	0.3
219.17451	100.0
220.17796	1.8
223.75577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
51.34811	0.5
53.03942	1.8
55.05514	6.6
57.03416	0.7
57.07075	1.2
58.25595	0.5
62.18365	0.6
65.03935	1.1
67.05507	20.9
69.03429	0.6
69.07069	5.8
69.62798	2.5
71.04990	1.3
79.05498	22.3
80.81740	0.6
81.03415	2.4
81.06582	1.0
81.07060	20.7
83.04972	1.3
83.08634	2.5
85.06512	0.6
91.05484	21.7
93.07049	22.8
95.04986	3.3
95.08047	1.0
95.08608	12.4
97.06522	2.0
97.10180	1.1
105.04510	1.1
105.06304	0.6
105.07031	12.7
107.04965	6.9
107.08596	13.9
109.06512	2.3
109.10159	4.7
111.08102	0.8
113.09650	0.5
117.07021	8.6
119.08596	10.0
121.06512	4.5
121.10142	10.8
123.08031	2.8
123.11724	0.6
131.08572	13.6
133.10153	5.9
135.08043	1.1
135.11700	5.0
137.09596	1.3
143.08482	0.5
145.10135	8.7
147.11646	1.2
149.09596	0.8
149.13269	1.3
157.85907	0.6
159.11700	5.3
161.09608	0.5
161.13254	2.0
163.11128	0.7
173.13306	1.9
175.14877	0.8
177.12842	0.7
177.16338	0.5
191.18019	0.7
201.12871	0.7
201.16472	3.0
203.14326	5.7
207.75655	0.5
219.13899	2.4
219.17451	100.0
220.17754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02607	0.3
53.03928	0.5
55.01871	0.8
55.05524	2.0
56.05040	1.4
56.96571	5.5
57.03440	1.5
60.04536	4.4
61.02934	2.2
67.05505	1.0
68.81319	0.4
68.99815	0.8
69.03429	2.3
69.07083	1.3
70.06597	10.5
70.46927	1.3
70.98136	0.7
71.01366	6.5
71.05000	0.9
71.06928	5.3
72.04526	0.6
72.08161	100.0
73.02927	1.5
73.08490	0.9
74.06084	1.3
75.04485	1.7
77.00904	0.5
81.03416	1.1
81.07088	0.5
82.01458	0.4
82.06589	1.6
84.04521	1.1
84.08156	8.4
84.96028	0.4
85.02926	2.4
85.06541	0.6
85.08477	0.7
86.09714	10.1
87.04459	0.8
88.04022	0.9
90.05563	0.9
91.03902	0.4
91.05492	2.9
93.07045	0.6
94.06590	0.7
95.08619	0.5
96.08137	0.6
97.02909	3.2
98.06068	0.9
98.09716	4.3
98.20767	0.5
98.41714	0.5
98.97592	13.5
99.00717	0.5
99.04447	0.8
100.02509	1.2
101.00907	1.6
101.02382	0.8
103.00690	0.4
103.02408	0.6
103.03953	2.5
107.04955	0.8
107.08617	1.0
109.02922	0.6
110.06049	3.0
110.09702	0.5
110.97591	1.4
111.00773	0.6
112.07634	1.9
112.11308	0.4
113.02368	0.8
114.09179	3.0
115.00694	0.6
116.07126	0.8
116.14712	0.4
116.98625	6.8
117.01895	0.9
118.03542	0.8
119.01932	5.4
119.04955	1.9
119.05779	0.4
119.08593	1.2
120.08081	0.5
121.01694	1.8
121.10156	1.3
126.09174	1.0
127.00289	0.6
127.03846	0.4
128.07089	19.8
128.98663	1.3
129.03935	0.5
129.10252	0.9
130.08649	2.0
131.00197	0.7
131.01918	1.4
131.03418	4.8
132.10220	1.6
133.01691	1.2
133.03404	2.0
133.10170	0.6
134.99669	2.8
137.02986	1.6
137.05972	1.2
140.10704	1.7
142.08665	0.9
143.01950	0.5
143.11824	1.3
144.10213	0.8
145.01411	1.2
145.03433	0.8
146.06035	1.1
146.99675	1.1
147.01331	0.6
147.03217	1.7
147.04434	1.5
149.01224	1.0
153.05809	1.0
157.03557	0.4
157.04965	1.2
158.99629	2.1
159.02895	5.7
160.09758	0.5
161.02890	0.8
161.13277	0.6
163.02818	0.5
171.05038	0.7
172.95229	1.0
173.03003	1.4
173.06474	0.6
173.09915	0.5
173.12900	1.4
174.11287	5.7
175.04559	0.5
175.08679	0.7
177.00731	4.4
177.02283	0.7
177.04230	2.7
181.03511	0.5
184.09712	0.8
189.00772	0.5
189.06050	0.5
190.96344	0.8
191.00438	0.8
191.02151	0.8
195.01762	1.4
195.03752	0.4
195.05347	3.0
196.00975	1.0
196.04648	1.1
196.08182	0.7
201.02483	1.9
201.12383	0.9
202.10762	33.4
203.14331	6.3
207.70471	0.4
208.05067	0.6
213.06447	0.5
217.05518	0.5
219.01778	1.2
219.03482	1.1
219.05214	1.9
219.07208	1.7
219.11436	0.8
219.13400	16.9
219.17416	19.5
237.00638	1.1
237.02834	1.0
237.06334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.02378	0.9
51.35900	0.7
55.05500	3.5
57.03421	1.1
57.07074	1.1
67.05494	3.5
68.81319	0.8
69.07056	2.3
69.23428	4.0
69.23852	4.3
71.04975	1.9
72.08157	1.0
72.48316	0.9
79.05476	2.8
80.34190	0.8
80.99097	0.8
81.07057	7.0
83.04980	1.2
83.08602	1.8
85.02905	1.1
85.06536	0.8
91.05482	16.2
91.58140	0.9
93.07066	7.1
95.04953	1.8
95.08612	7.0
97.06515	2.0
98.20713	1.9
103.05456	5.7
105.07030	13.2
107.08596	8.2
109.06498	1.4
109.10130	4.2
115.05463	11.1
116.06227	3.4
117.07027	6.7
118.06571	1.4
119.04908	1.0
119.08583	10.3
121.06498	1.9
121.10173	6.8
123.04466	1.2
123.08080	1.0
123.11677	1.8
125.09628	1.5
128.06235	11.1
129.07010	43.5
130.04187	1.0
130.07843	4.3
131.04930	9.4
131.08572	45.1
133.10124	10.8
135.08026	1.6
135.11729	3.8
137.05975	5.0
141.06996	37.4
141.11491	1.6
143.04974	1.7
143.08534	3.1
144.05721	5.7
145.06477	9.5
145.10127	9.9
146.07271	6.1
147.11681	4.5
148.05205	1.7
149.05913	0.9
149.13271	1.9
155.06087	0.9
157.06494	22.9
158.07283	22.8
158.08246	0.6
159.04422	3.9
159.08058	27.6
159.11702	9.7
160.05199	6.3
161.05949	2.3
161.09579	5.7
161.13295	5.5
162.06789	0.9
163.07544	2.8
163.11172	3.4
163.14862	0.9
168.05713	0.9
169.06464	14.2
169.07663	1.6
170.07317	7.8
171.08112	1.7
172.05199	1.0
173.05974	6.7
173.09615	1.5
173.13264	2.3
174.06776	79.5
175.07542	13.1
175.14804	2.5
176.14357	5.0
177.09094	2.4
177.12752	0.9
177.16367	1.0
186.06772	19.1
187.07446	2.5
188.08305	3.6
189.09117	94.9
190.09492	1.3
191.07024	3.3
191.09009	1.1
191.10678	7.7
191.14258	1.7
201.09114	39.2
201.16373	9.0
203.14304	5.5
219.06609	3.3
219.10176	100.0
219.13811	2.9
219.17432	37.8
219.19618	1.1
220.10489	1.9
220.16972	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.82110	0.8
51.02388	0.8
53.62350	0.8
55.01865	1.4
55.05504	1.4
57.03432	0.9
59.18138	0.8
60.98936	0.8
67.05499	2.0
69.07056	1.4
69.97309	3.7
70.24088	0.8
79.05495	2.0
81.07037	2.5
85.97764	0.7
91.05484	12.7
93.07034	3.5
95.08588	2.4
97.06522	1.0
103.05463	2.9
105.07044	6.9
107.08590	2.8
109.06570	1.1
109.10152	1.2
115.05457	11.5
115.06231	0.8
116.06242	2.2
117.06998	3.9
117.11234	0.9
119.08553	5.4
121.10134	2.9
128.06233	10.9
129.07011	42.7
130.07785	3.3
130.65529	0.8
131.04927	10.3
131.08575	41.4
133.06496	1.1
133.10138	9.5
135.11722	1.3
137.05943	4.3
141.06998	38.4
143.04947	2.1
143.08560	2.6
144.05681	7.0
144.09254	0.8
145.06480	7.7
145.10135	5.5
146.07301	5.4
147.08081	1.0
147.11691	2.5
148.05188	1.4
149.05972	0.9
157.06494	21.1
158.07289	22.1
159.04442	5.6
159.08052	29.7
159.11694	3.8
160.05214	5.6
161.05995	1.6
161.09605	4.1
161.13269	2.9
163.07594	2.6
169.06479	18.3
169.07718	1.1
170.07268	7.5
171.04445	1.0
171.08046	1.1
173.06007	5.6
173.09579	1.5
173.13226	1.3
174.06776	79.2
175.07556	11.8
176.08264	1.0
185.05943	1.6
186.06773	17.8
187.07507	2.2
188.08315	4.8
189.09113	97.8
190.09372	1.3
191.07034	2.4
191.10674	8.2
201.09113	38.7
201.16335	4.1
203.14326	1.8
219.10172	100.0
219.17450	16.0
220.10426	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1342
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
50.87996	0.5
55.05476	0.7
56.96571	1.2
60.04529	100.0
62.87701	0.5
67.05532	0.8
69.07059	1.4
70.02946	0.9
70.06600	1.3
70.23042	2.5
71.01366	0.7
72.08162	24.7
73.02914	0.7
74.06064	1.0
75.04491	1.2
79.05484	1.0
81.03427	0.7
81.07045	1.0
84.08136	1.6
85.02917	0.7
85.06546	0.8
86.09710	71.7
87.05576	3.4
90.05548	2.9
91.05502	1.1
93.07027	1.0
95.04954	0.6
98.97588	1.2
103.03951	1.5
105.07040	1.5
110.06046	0.9
111.04481	0.5
111.08924	0.6
116.98693	0.8
119.08581	1.6
121.10133	1.4
124.07561	0.8
126.09135	0.9
128.07071	5.3
128.10733	2.7
132.10210	51.0
133.10123	1.9
145.06500	0.7
157.07619	0.6
159.02872	1.6
161.09573	0.6
161.13246	0.7
173.05983	2.3
173.12865	23.6
174.11307	1.3
177.05460	0.8
190.71883	0.6
201.12361	4.0
202.10745	8.7
203.14334	7.2
209.16351	0.6
219.06541	1.1
219.11453	0.6
219.13419	11.8
219.17436	24.3
220.11783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.7
61.02930	25.8
63.63605	0.8
69.57495	7.0
71.01360	37.2
72.08170	7.3
75.04484	52.6
81.07071	1.1
84.99292	1.9
87.04477	20.1
89.02396	8.3
90.05564	1.3
103.03949	70.5
119.08605	1.3
131.03445	13.1
133.10202	1.0
145.06544	1.2
145.10165	1.1
159.02901	100.0
162.99484	1.1
173.06006	1.7
187.02394	8.1
202.10750	3.1
203.14352	5.4
219.04970	9.7
219.17442	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	218.1025
Annotation	CJ 15801
Peak:m/z	Relative Intensity
53.03945	0.6
55.01900	0.8
55.05518	2.6
56.05047	0.7
56.05858	0.8
56.96562	0.5
57.03454	1.4
58.02964	0.6
58.06611	1.8
60.04541	1.9
61.02932	6.5
67.05509	1.5
68.05048	0.9
69.03451	2.0
70.06595	9.8
70.53378	1.0
70.53714	1.2
71.05003	0.8
72.04507	0.6
72.08157	18.3
73.08476	0.6
74.06104	0.7
74.52151	0.5
79.05501	1.5
81.03428	1.1
82.06586	6.0
83.05000	2.0
84.04495	2.5
84.05330	0.9
84.08148	21.2
85.02917	2.3
85.06516	0.7
86.09724	1.9
87.04467	3.9
88.04002	5.2
89.10786	2.9
94.06603	0.7
95.04980	1.0
96.04517	0.6
96.08135	2.8
97.02895	0.8
98.06104	1.0
98.09695	7.3
98.97580	0.6
99.04488	1.3
100.07645	2.7
101.00883	1.0
103.03960	1.1
108.08134	1.3
111.04438	2.5
112.04789	2.1
112.07662	0.6
113.02403	0.7
113.06020	0.9
114.05562	0.6
115.02460	0.8
115.03931	0.6
116.07112	1.2
119.01907	3.2
120.02036	0.9
126.08219	0.6
126.08376	0.3
126.09158	14.6
128.07083	33.1
129.07462	0.7
129.10231	0.6
130.05013	1.9
130.08655	1.8
131.01936	0.7
133.03473	2.2
135.17786	0.5
136.07622	0.6
142.02930	1.1
144.06546	0.8
144.99826	1.4
145.03372	0.6
146.03571	0.8
146.85324	0.6
147.11285	0.8
148.02853	0.7
149.03053	0.5
154.08623	3.8
155.07072	1.0
155.11787	0.8
156.07489	3.8
158.08116	0.7
159.05124	0.6
159.08572	0.7
161.02939	1.0
172.09692	100.0
172.99326	0.8
173.10155	0.8
174.07120	0.6
174.08430	2.7
177.02444	1.0
183.11331	0.5
184.09724	0.6
185.02963	0.7
187.00922	1.0
200.09175	1.7
200.10844	0.7
200.12784	0.8
201.12328	1.3
205.01900	1.0
217.01941	0.6
218.10233	76.2
219.10541	1.0
219.13387	2.5
219.17543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03933	1.2
55.01865	1.3
55.05270	1.8
55.05515	27.8
57.03426	1.7
57.07069	2.4
59.04983	1.1
61.51805	0.9
65.03934	0.9
67.05508	24.1
69.03419	1.6
69.07076	16.9
69.73837	3.0
69.74249	2.6
70.06575	1.1
73.66598	0.9
79.05495	12.3
81.07063	32.9
83.04985	21.0
83.08624	9.0
85.06556	2.0
85.67472	1.0
87.04482	2.6
88.95448	0.9
89.02428	1.1
89.06031	4.3
91.05487	13.7
93.07059	20.0
95.04969	1.4
95.08613	49.6
97.10185	5.4
97.10710	1.0
99.04479	1.2
101.06024	9.2
105.07036	43.7
107.08600	40.9
109.06534	1.4
109.10162	54.7
111.04449	31.1
111.11767	0.9
113.05990	3.4
117.07016	2.1
119.08588	44.0
121.10148	34.2
123.11713	23.8
125.09692	1.3
127.07563	3.4
127.09512	2.2
129.05496	9.5
131.08569	3.5
133.10139	30.8
135.11688	10.9
137.05965	1.6
137.13292	1.9
143.08543	2.1
145.10120	2.7
147.07977	1.1
147.11696	38.2
149.13255	4.0
155.07040	42.2
157.10146	1.7
159.11690	3.7
161.13263	51.7
171.11754	1.1
173.08109	23.0
173.13287	1.3
175.14838	11.7
189.16399	5.7
199.09758	2.4
199.11603	3.9
199.14813	2.3
217.08748	1.2
217.10707	21.1
217.12578	5.0
217.15948	4.7
217.19525	100.0
218.19859	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	218.079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.8
70.06602	100.0
71.53912	3.3
72.08164	30.9
84.04510	2.2
84.08163	9.9
89.10810	5.6
98.09695	8.8
100.07697	2.2
116.07098	2.5
126.09164	2.4
128.07111	3.0
130.04974	3.3
130.08646	2.4
161.75198	1.9
172.09752	6.9
192.04247	3.6
208.68115	2.2
218.07887	28.9
218.10263	14.0
218.13745	4.7
219.13469	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	217.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33956	2.8
55.05518	41.3
60.45620	2.7
67.05508	24.6
69.03452	4.0
69.07070	22.4
71.56986	3.5
74.28368	2.6
79.05489	10.6
79.75780	2.9
81.07061	37.7
83.04984	48.9
83.08617	8.7
85.06563	3.5
87.04453	6.7
89.02402	4.7
89.06014	8.6
91.05480	15.7
93.07059	21.9
95.08612	64.6
99.04456	4.3
101.06030	20.8
105.07034	49.5
107.08606	40.5
109.10165	53.6
111.04456	65.8
113.05986	7.2
117.07015	3.2
119.08594	45.4
121.10151	34.6
123.11732	24.8
127.07555	11.8
129.05496	21.6
129.06984	3.9
129.36873	2.9
131.08569	11.7
133.10127	28.7
135.08081	4.2
135.11739	12.8
137.13243	3.1
143.08565	11.0
145.10121	7.2
147.11699	35.9
149.13303	4.8
155.07043	97.2
157.10107	14.2
159.11719	12.4
161.09590	5.5
161.13263	49.2
171.11723	5.1
172.56096	2.6
173.08109	56.6
175.14812	11.8
183.35867	2.4
189.16382	7.7
194.42146	3.2
199.09758	8.9
199.11674	6.0
199.14827	16.8
217.10674	48.9
217.12527	15.4
217.16051	27.4
217.19528	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1953
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
50.00632	1.9
55.05514	36.8
67.05511	28.3
69.03428	3.9
69.07076	14.6
71.56239	2.8
72.51048	2.0
73.02945	2.6
74.83363	2.1
79.05490	12.3
81.04575	2.0
81.07059	44.2
82.03763	2.1
83.04983	40.1
83.08623	7.7
85.06532	4.3
87.04475	5.3
89.02361	2.8
89.06031	9.0
90.37534	2.2
91.05483	14.3
93.07053	24.5
95.04879	2.1
95.08617	62.9
99.04440	3.5
101.06016	15.1
105.07040	43.3
107.08595	39.4
109.09472	3.0
109.10175	54.7
111.04454	69.7
111.08034	2.2
113.06003	8.2
119.08576	36.4
121.10146	41.2
123.11717	19.4
124.27634	2.4
127.07523	11.8
129.05478	20.8
129.07016	3.6
131.08566	4.8
133.10141	21.6
134.07101	3.5
135.11729	12.6
135.71901	2.2
136.07419	2.6
143.08565	2.6
145.10121	4.0
147.11679	30.0
147.69348	2.3
149.13301	2.4
155.07043	85.1
157.10080	4.9
159.11682	4.4
161.13254	43.9
171.11717	2.2
173.08104	44.3
174.10379	1.9
175.09818	3.2
175.13501	2.6
175.14806	13.6
176.09352	3.3
189.16353	7.6
199.09746	3.7
199.11572	8.6
199.14825	3.0
217.10675	39.2
217.12517	16.3
217.15916	12.7
217.19530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
51.98606	1.7
53.03944	2.2
55.05268	1.8
55.05510	26.0
57.07065	2.9
59.04987	2.5
65.03923	2.2
67.05508	30.0
69.03428	2.3
69.07068	24.2
70.06566	1.6
71.04981	2.8
71.36549	3.0
79.05500	9.9
81.07066	37.2
83.04990	30.8
83.08623	9.5
84.50774	1.6
87.04446	4.1
89.02379	3.7
89.06023	6.3
91.05498	15.2
93.07043	18.8
95.04971	2.6
95.08610	57.7
96.04424	1.4
99.04467	2.0
101.06017	12.3
105.07036	48.3
107.08597	37.6
109.10162	70.9
111.04450	42.3
113.06003	5.2
117.07000	1.8
119.08586	69.1
121.10162	31.6
123.11717	18.7
127.07557	4.0
129.05486	14.5
129.07030	3.7
131.08546	4.1
133.10143	33.3
135.11688	12.2
136.26804	1.7
137.05928	1.7
137.13188	2.5
143.08545	3.7
145.10117	3.6
147.11691	41.3
149.13252	3.2
155.07048	56.9
156.09306	1.8
157.10095	3.6
159.11674	3.6
161.13264	45.5
173.08119	34.3
174.14038	1.7
175.09827	2.1
175.14862	14.1
189.16393	5.9
199.09637	3.4
199.11537	4.7
199.14784	4.8
217.10681	30.5
217.12572	11.1
217.16284	11.3
217.19521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
52.01655	1.1
53.03944	1.9
53.15292	1.2
55.05513	19.2
57.07063	2.2
67.05174	1.8
67.05511	24.3
69.07076	14.7
70.72316	1.5
70.72668	2.4
79.05486	8.9
81.07063	34.1
83.04979	17.1
83.08626	6.4
84.99982	1.2
85.06540	1.9
85.78764	1.1
87.04469	1.5
89.02408	1.3
89.06042	2.4
91.05489	12.6
93.07056	20.2
94.05807	1.2
95.04942	1.2
95.08613	50.7
97.10152	3.4
98.40564	1.1
99.04488	1.8
101.06027	7.0
105.07037	42.7
107.08596	36.0
107.09299	2.2
109.10162	54.8
111.04443	21.8
113.05989	3.1
117.07026	2.0
119.08591	45.7
121.10145	35.7
123.11713	21.0
127.07553	3.1
129.05519	5.5
129.07043	2.1
131.08521	2.4
133.10147	32.4
135.11707	11.9
137.13268	3.1
143.08607	1.7
143.83345	1.3
145.10156	2.0
147.11696	41.6
149.13260	2.3
155.05756	1.6
155.07037	30.2
157.10127	1.6
159.11678	3.5
161.13264	51.0
163.72226	1.1
164.00061	1.0
173.08112	19.1
173.13293	2.2
175.14812	14.9
179.15433	1.3
189.09071	1.1
189.16393	6.9
199.09734	1.7
199.11516	2.7
199.14668	1.2
217.10701	14.9
217.12573	3.3
217.15968	4.0
217.19530	100.0
218.19800	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00558	1.9
55.05516	35.4
57.07076	2.4
61.32937	2.0
67.05231	2.0
67.05509	25.0
69.07065	13.9
69.63146	13.0
70.06573	2.4
79.05485	10.8
81.07071	27.9
83.04987	37.1
83.08611	9.2
85.06548	2.8
87.04456	3.7
89.02429	2.7
89.06018	6.0
91.05479	16.5
93.07038	20.6
95.08612	49.6
97.33786	2.0
97.75817	1.9
98.21007	7.0
99.04425	3.9
101.06015	16.1
105.07031	42.6
107.08598	33.8
109.09463	4.2
109.10165	52.7
111.04447	49.9
113.05988	6.1
117.06981	3.0
119.07790	3.7
119.08583	43.9
121.10162	28.4
123.11727	17.9
126.09136	4.0
127.07539	8.2
127.09464	5.2
129.04567	2.3
129.05461	12.7
129.06992	2.8
129.93259	2.1
131.08490	2.6
133.10126	27.3
135.11688	17.2
137.05954	2.5
143.08549	3.3
145.10143	5.2
147.11685	32.7
149.13191	3.1
155.07036	72.9
157.10092	4.3
159.11658	6.0
161.13258	60.9
173.08116	42.2
175.09726	2.1
175.14836	9.3
189.16376	4.7
199.09802	5.4
199.11609	9.0
199.14764	3.8
208.25574	2.3
217.10674	38.6
217.12639	19.6
217.15927	11.2
217.19521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03936	1.0
55.01854	1.5
55.05514	36.0
57.03448	1.5
57.07068	2.3
59.04992	2.2
65.03931	1.1
67.05505	23.6
69.03445	2.2
69.07068	21.5
70.06583	0.9
70.95545	2.1
71.06946	1.1
73.02902	2.8
79.05499	11.8
81.07063	32.8
83.04985	37.4
83.08623	9.9
85.06535	3.1
87.04477	4.3
89.02374	3.7
89.06027	6.9
91.04969	1.3
91.05483	16.0
93.07044	18.5
95.04971	2.8
95.08614	50.4
97.02927	1.0
97.10181	2.6
99.04450	3.0
101.06013	14.7
105.07036	49.5
107.07860	2.0
107.08600	38.0
109.10165	44.9
111.04444	50.8
111.11736	2.5
112.04776	1.3
113.06023	4.7
115.05470	1.4
117.07037	4.9
119.08586	56.2
119.89657	1.0
121.10147	29.9
123.08030	1.3
123.10814	1.5
123.11712	23.2
126.09173	1.5
127.07557	6.0
127.09507	2.6
128.06169	1.4
129.05490	12.1
129.06989	3.5
131.08588	4.9
133.10132	32.6
135.11700	10.0
137.06007	1.8
137.13251	2.6
143.08577	5.3
144.09320	1.1
145.10118	4.0
147.11694	39.9
149.13292	3.0
149.63545	0.9
155.07039	67.4
156.09302	1.0
156.11383	0.9
157.10123	4.6
159.11708	10.3
160.05170	1.0
161.05965	1.2
161.13263	52.1
171.08058	0.9
171.11676	1.2
173.08118	41.2
173.13156	1.4
174.14006	1.8
175.11201	1.7
175.14827	19.5
188.15717	1.2
189.12733	1.0
189.16393	6.6
199.09627	3.6
199.11539	3.7
199.14841	4.9
217.08865	0.9
217.10698	31.6
217.12589	6.7
217.16191	15.9
217.19524	100.0
218.19669	1.5
223.87210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
52.07407	1.4
54.62134	1.2
55.01862	3.7
55.05513	46.5
56.96548	2.4
57.07066	3.9
59.05008	3.4
65.03927	2.3
67.05169	2.2
67.05503	26.5
68.46954	1.2
69.03414	4.5
69.07073	24.3
70.06588	2.3
70.90731	2.8
71.04986	2.1
71.56953	1.2
73.02894	2.6
78.20823	1.3
79.05505	16.8
81.07060	33.6
83.04983	56.8
83.08619	10.8
85.06522	5.6
87.04455	6.5
89.02390	5.5
89.06048	8.9
91.05480	27.0
93.07049	26.0
95.04975	1.9
95.08613	51.0
97.10142	3.5
99.04460	3.9
101.05396	1.4
101.06029	24.2
103.05489	1.4
104.79060	1.3
105.07035	54.1
107.04941	1.6
107.08596	35.2
109.06511	1.9
109.10162	41.2
111.04447	71.7
111.08046	2.7
111.11746	1.9
113.06010	9.3
115.05477	1.7
117.07050	8.5
119.08585	66.4
121.06508	3.4
121.10146	30.6
123.08104	1.8
123.11725	19.8
127.07556	9.0
127.09508	5.2
128.06213	2.0
129.05501	17.2
129.06998	6.7
131.08575	9.6
133.06531	1.8
133.10139	38.6
135.07983	1.5
135.11671	10.1
136.06487	1.4
137.05966	2.4
137.13211	3.2
143.08556	5.8
145.10135	6.3
147.07996	2.4
147.11690	37.1
149.13263	3.6
155.07039	100.0
156.07312	2.0
157.10173	7.5
159.11707	5.1
161.09622	1.9
161.13269	54.0
162.13976	1.4
169.03535	6.6
169.04770	1.7
171.11734	3.9
173.08107	55.0
173.13255	5.0
174.08342	1.5
175.11188	2.2
175.14851	19.7
189.09146	2.0
189.12712	2.3
189.16386	8.0
199.09639	7.0
199.11533	5.6
199.14824	8.7
217.09024	1.1
217.10690	46.8
217.12575	9.4
217.16039	29.9
217.19510	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
55.05516	43.6
57.07071	3.7
59.04990	4.2
67.05180	2.4
67.05508	36.5
69.03426	2.0
69.07074	21.7
70.88395	3.6
71.04984	2.3
73.02883	2.0
75.24612	1.2
79.05494	18.0
81.06581	2.0
81.07064	40.1
83.04989	46.3
83.08626	13.8
84.92898	1.2
85.06524	4.1
87.04457	4.8
89.02373	5.0
89.06029	5.2
91.05488	36.4
93.07050	21.6
95.04975	1.6
95.08614	54.9
97.10172	3.7
99.04429	3.6
101.06033	19.2
105.07041	53.1
105.07771	2.0
107.08605	43.3
109.10164	77.9
111.04446	56.5
113.06009	7.0
115.05475	2.0
117.07031	16.4
119.08592	88.6
119.54638	1.4
121.06499	1.3
121.10154	26.1
123.11710	16.3
126.09134	2.7
127.07580	9.3
127.09492	5.0
128.06215	3.8
129.05487	21.1
129.07002	5.8
131.08572	20.0
133.10135	52.0
135.11684	16.2
137.05936	1.6
143.08585	10.9
145.10121	6.5
147.06543	2.8
147.08086	2.4
147.11702	43.7
149.13297	4.0
152.60806	1.4
155.07043	83.8
157.10112	8.9
159.11685	4.8
161.09621	2.6
161.13269	49.1
171.11745	2.2
173.08118	48.6
173.13258	6.0
175.11295	2.3
175.14841	16.0
189.16403	8.8
199.09645	5.3
199.11594	8.3
199.14809	9.5
217.10689	38.5
217.12598	12.4
217.16104	22.0
217.19524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1432
Annotation	3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
Peak:m/z	Relative Intensity
50.76151	0.6
54.19198	0.7
55.05504	3.0
57.03419	1.4
57.07068	1.0
65.03931	0.7
67.05506	4.9
69.03424	0.9
69.07052	2.2
69.23151	5.9
69.23555	1.3
70.06583	1.7
71.05000	3.8
72.08144	1.5
74.09711	2.1
75.85629	0.6
79.05502	8.4
81.03381	1.5
81.07068	7.1
83.04987	1.4
83.08607	1.5
90.94843	0.7
91.04962	1.1
91.05483	12.2
93.07047	6.5
95.04979	4.8
95.08610	5.6
105.04539	0.8
105.07043	14.9
107.04955	1.5
107.08604	32.2
109.06528	3.9
109.10145	0.8
109.98814	0.7
115.05444	2.8
116.06247	1.4
117.07050	6.2
119.04888	0.9
119.06117	1.3
119.08583	8.9
121.06489	3.5
121.10143	1.6
123.08064	1.2
126.09160	4.6
128.06229	2.8
129.07004	9.5
130.07811	3.1
131.04910	1.8
131.08571	14.6
132.95831	2.0
133.06564	0.9
133.10165	4.8
135.08049	2.2
141.06993	6.5
142.07791	18.1
143.08566	10.8
144.05632	1.3
144.09377	1.5
145.06502	7.2
145.10136	20.6
147.08032	1.4
147.11665	1.1
150.96941	3.6
153.06985	1.9
154.07755	1.2
155.08574	10.6
156.09366	5.5
157.10139	38.5
158.07253	2.0
158.10956	3.6
159.04420	2.7
159.08076	13.8
159.11702	9.5
160.08778	0.8
161.02435	1.3
161.09679	1.5
167.08585	7.3
168.09373	0.9
169.06494	1.0
169.10136	8.8
171.08078	1.7
171.11691	4.9
172.08800	1.8
172.12466	2.7
173.02321	3.6
173.08272	1.2
173.09657	13.9
173.13266	11.0
173.98460	0.8
182.10936	10.3
185.09625	3.0
186.10405	1.9
187.07635	1.1
187.11284	3.7
187.14830	8.6
191.97171	1.2
197.09679	0.7
197.13280	20.0
198.11313	4.9
199.11368	0.7
200.04718	0.9
200.12000	5.0
215.07100	5.9
215.10764	4.8
215.14333	100.0
215.17915	7.4
216.12334	7.6
216.14508	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
50.31036	2.5
55.05516	43.6
56.26365	2.4
57.07076	3.3
57.53461	2.1
59.04981	2.5
59.40954	2.2
67.05237	2.6
67.05514	32.0
69.03420	3.5
69.07067	27.6
70.06570	3.7
70.80651	4.5
70.81025	5.4
71.04981	3.0
73.02898	3.1
79.05503	14.6
81.06578	3.3
81.07063	50.6
83.04985	55.9
83.08611	9.7
85.06540	5.5
87.04468	5.4
89.02409	5.4
89.06014	9.1
91.05486	22.3
93.07043	19.7
95.05007	3.6
95.08613	67.7
99.04435	2.8
101.06017	17.7
105.07039	54.9
107.08602	44.2
109.06528	3.2
109.10162	95.9
111.04446	67.3
113.05996	7.6
115.31860	2.2
117.07023	7.2
119.08593	97.4
121.06487	3.5
121.10161	30.5
122.38436	2.5
123.11720	20.8
126.09134	5.2
127.07562	10.9
127.09504	5.5
128.06177	5.1
129.05498	22.1
129.06975	7.6
131.08574	9.7
133.10156	38.9
135.11705	8.3
137.05959	4.4
137.13257	4.2
142.07764	5.6
143.08572	13.7
144.09288	2.7
145.10095	7.9
147.08040	3.0
147.11690	42.1
149.09569	2.3
149.13255	3.6
155.05759	5.6
155.07042	100.0
156.09285	3.0
157.10159	16.1
159.11714	27.4
161.09602	8.2
161.11993	3.4
161.13269	53.9
171.11711	5.6
173.08110	51.9
173.13226	5.9
175.11278	3.4
175.14888	16.4
189.09038	4.2
189.16394	11.4
199.09657	8.4
199.11551	16.4
199.14844	20.9
217.04208	4.8
217.08752	2.5
217.10661	50.7
217.12534	24.4
217.15981	39.4
217.19514	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03952	3.8
55.01861	6.0
55.05516	17.8
57.03431	1.6
57.07072	4.7
59.05004	1.9
59.83630	1.7
60.45951	1.5
65.03918	2.4
65.44832	1.4
67.05504	13.0
68.99776	2.0
69.03425	12.0
69.07073	23.9
69.23202	16.0
70.06589	7.7
71.04995	15.7
72.08150	7.1
72.55432	1.6
75.82243	1.6
79.05501	12.0
80.29537	1.7
81.03412	6.9
81.07065	30.1
83.04974	2.5
83.08627	15.8
85.02911	4.9
85.06544	4.9
86.09694	8.2
87.00834	1.7
88.07639	4.1
91.05486	78.0
93.07046	21.7
95.04975	6.6
95.08612	49.6
97.02867	3.0
97.06516	4.1
97.10155	11.3
98.21489	4.5
99.04465	2.6
99.08102	24.9
105.07044	8.0
107.04964	11.9
107.08592	44.1
109.02882	6.2
109.10154	21.2
110.03642	1.8
111.08088	17.8
113.09692	2.4
117.07050	1.9
119.04946	75.7
119.08599	4.4
120.05698	4.4
121.02847	1.9
121.10145	64.8
123.04477	2.8
123.11706	4.8
125.09666	8.4
125.87245	1.5
127.03940	13.3
128.06216	4.8
129.07030	7.9
131.08545	4.5
135.11722	12.0
137.13264	11.3
141.06978	3.6
142.07808	9.1
143.08534	8.1
145.10144	2.3
149.09641	3.6
149.13268	6.4
151.03841	2.0
152.06221	6.5
153.06889	2.5
153.12723	3.8
155.08508	2.8
156.09351	3.6
157.06482	6.8
157.10139	15.2
165.05539	2.2
165.06891	8.3
167.07056	5.7
167.08583	10.0
169.06456	2.0
170.07283	1.7
170.10941	3.6
171.08142	2.7
171.11699	10.2
176.06190	2.1
177.07004	3.7
177.09113	2.2
177.16397	100.0
180.09352	3.2
183.11685	3.0
185.05925	4.5
185.07297	2.3
185.09642	7.3
185.13292	6.6
195.06526	3.6
195.08084	6.9
195.11644	3.6
195.13985	1.8
195.17447	15.3
198.06685	2.6
213.05479	13.3
213.09065	29.5
213.12906	14.1
213.14677	3.9
213.16397	22.2
213.18529	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	214.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01874	3.0
55.05500	4.7
56.05029	8.8
56.96572	84.0
57.03430	6.8
58.99863	3.1
61.02934	2.6
67.05493	3.2
68.05023	3.9
69.03426	11.4
69.07066	3.9
70.06599	100.0
70.95884	2.5
71.04987	3.4
71.54321	2.8
71.95264	3.1
72.08166	14.1
72.93784	5.7
73.02911	2.5
74.00674	2.1
77.00888	8.2
79.05492	2.9
80.05009	2.4
81.03412	6.0
81.07069	3.5
82.02959	3.4
82.06577	4.6
84.04510	7.6
84.08144	25.6
84.96033	5.7
85.02924	9.5
85.06525	3.0
86.06094	2.3
86.09686	3.7
89.42000	2.2
90.94820	7.6
91.05477	4.9
93.07036	2.3
94.06526	2.7
95.01931	4.5
95.04984	5.8
95.06033	1.9
96.04498	2.5
96.08158	3.0
97.02892	9.0
97.06479	2.3
98.06062	7.3
98.09700	3.7
98.97590	84.4
99.04417	2.9
100.02223	5.0
100.99143	8.5
101.00869	3.5
101.02561	3.8
103.05464	1.8
105.07023	2.9
107.04975	10.3
108.04543	1.9
108.08093	2.4
109.02845	2.6
110.06081	4.9
110.07154	4.6
110.97592	3.4
112.07623	28.7
113.07139	2.1
113.07929	2.2
113.96384	2.7
116.07095	8.5
116.97815	3.9
116.98631	76.3
119.00185	7.3
119.01926	12.6
119.04967	3.2
121.06553	4.0
122.06055	3.9
122.07172	3.2
124.00718	3.3
124.07595	4.0
126.05524	4.4
126.09119	3.2
127.08691	2.3
128.07086	3.1
128.98624	12.8
129.10291	4.8
130.06535	2.0
130.08641	5.5
131.00172	3.1
132.08041	2.3
132.95856	14.6
134.99678	59.0
135.04419	3.5
136.07597	3.5
137.02951	3.2
137.04518	4.9
137.05939	2.4
138.09146	7.1
140.03395	3.2
140.07053	9.0
141.00067	9.9
142.01762	6.2
142.03491	7.7
142.05205	3.5
143.00192	2.7
144.98030	3.6
145.01686	2.2
146.99661	11.3
149.01204	5.0
149.06000	5.7
149.07387	2.2
149.96097	3.7
150.05479	4.6
150.09128	5.2
150.96909	29.4
152.07088	2.7
153.00714	8.6
153.02522	3.3
154.01797	8.0
154.04979	2.7
154.08575	2.9
155.08223	3.1
156.03329	4.7
158.01253	4.9
158.02669	5.6
158.06509	5.8
158.99699	5.5
160.02858	6.6
160.06406	8.3
161.01204	3.1
161.04825	2.7
162.99123	5.4
165.00703	5.7
166.08627	3.5
167.07072	8.7
167.97163	5.6
168.06586	8.4
168.10210	5.1
170.11801	2.5
172.02838	17.7
172.06311	3.4
172.95329	2.9
174.04369	5.7
177.00757	4.9
177.05412	4.2
178.03874	7.4
178.07352	12.1
178.08763	3.5
182.04541	11.7
183.04784	9.5
186.04410	13.6
187.04436	3.1
188.02296	3.8
190.03828	17.8
190.07460	11.6
190.98665	8.3
191.97185	8.5
196.02908	10.6
196.06064	4.4
196.09697	7.5
197.12863	2.7
197.16481	2.7
202.05464	6.1
204.05537	10.5
208.04956	12.2
208.99695	11.2
209.98120	4.3
214.03926	46.4
214.07260	50.1
214.10669	28.4
214.12538	2.9
214.14438	6.1
215.07430	14.4
232.04999	34.6
232.08418	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	217.1588
Annotation	(+)-Nuciferal
Peak:m/z	Relative Intensity
50.11675	1.0
52.54390	1.1
53.03934	2.8
55.01871	3.0
55.05513	41.6
57.07063	1.8
59.04984	3.2
65.03931	2.5
67.05506	13.9
69.03438	6.8
69.07072	11.0
69.83693	2.3
69.84058	5.7
71.04993	1.7
73.02895	2.5
77.03944	1.3
79.05140	1.4
79.05499	13.3
81.03390	1.5
81.07058	17.0
83.04986	54.4
83.08619	7.0
85.06535	6.8
87.04472	7.6
89.02384	5.7
89.06046	9.7
91.05481	21.5
93.07048	24.1
95.04973	31.2
95.08057	1.6
95.08611	22.3
97.06521	4.8
98.20834	1.9
99.04449	3.7
101.06017	19.9
103.05493	2.2
105.03379	1.2
105.07036	40.7
106.73246	1.1
107.04939	3.0
107.08593	21.2
109.06520	12.7
109.10163	14.8
111.04448	77.3
111.08049	3.7
113.05994	10.3
114.92278	1.1
115.05411	2.6
117.07017	7.5
119.04875	1.5
119.08586	36.3
121.06545	5.9
121.10149	58.6
123.08062	9.2
123.11691	3.6
127.07554	11.5
127.09475	2.8
128.06232	5.5
129.05495	17.5
129.06960	7.7
130.07776	1.2
131.08560	11.8
133.06505	2.8
133.10133	24.1
135.08055	2.7
135.11682	5.2
137.05978	3.1
137.09592	3.6
141.06946	2.1
142.07764	5.2
143.08551	15.7
144.09320	2.9
145.06497	1.4
145.10117	7.5
146.07263	2.1
147.08031	7.4
147.11703	12.9
148.08733	1.1
148.17766	1.2
149.09615	2.5
155.07037	100.0
156.05780	1.3
156.09378	4.6
157.10127	18.0
158.10873	2.0
159.11707	14.5
160.05197	2.3
161.05945	3.2
161.09619	16.9
161.13315	8.5
165.36165	1.1
169.10114	1.4
170.10777	1.5
171.11699	7.4
173.08109	54.8
173.13225	9.3
174.08434	1.4
174.10446	1.5
174.18575	3.9
175.11191	5.9
175.14836	4.5
184.12495	4.1
187.14865	2.9
188.16920	1.2
189.05515	1.8
189.09058	2.3
189.12746	1.3
189.16388	7.5
199.09663	6.0
199.11510	4.3
199.14832	27.5
217.05020	2.2
217.08572	4.7
217.10703	47.7
217.12506	7.1
217.15883	82.2
217.19237	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	217.0684
Annotation	Decarboxytiaprofenic acid
Peak:m/z	Relative Intensity
60.05651	3.9
69.91841	3.2
69.92253	8.2
70.06251	2.8
70.06601	36.3
70.16930	2.0
71.04996	4.6
72.04504	2.4
72.08154	6.2
74.02425	4.8
79.67615	2.3
80.78323	1.9
84.08179	4.5
88.07633	2.0
95.83479	2.1
98.20808	2.6
100.07619	5.0
101.00887	2.5
106.02220	2.1
106.70393	2.6
112.07633	3.4
112.08750	4.4
113.07168	2.9
114.09159	4.9
115.08680	7.1
116.07092	15.4
130.08730	2.2
130.09778	2.8
130.84247	2.0
148.39622	2.4
155.07037	2.8
157.09743	8.8
158.08131	21.4
158.09305	4.6
163.04425	2.4
167.74074	2.4
175.11943	5.7
199.11977	2.9
200.10318	6.2
217.06859	100.0
217.13045	30.7
231.02895	2.2
235.84309	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.4
56.96569	26.8
58.99851	1.6
63.29426	1.2
69.03432	2.4
69.07059	4.9
70.06597	52.3
70.18040	2.1
70.18446	4.1
70.98116	1.3
71.06933	2.9
71.95264	1.9
72.08165	6.3
72.96026	1.7
73.02937	1.5
77.00909	2.9
79.05512	1.2
82.06583	1.8
82.99855	2.6
84.04499	2.8
84.08151	12.9
84.96023	2.1
85.02899	2.6
86.09711	100.0
89.00905	1.5
97.02892	2.4
97.06532	9.4
98.06079	2.1
98.20843	1.9
98.97594	52.9
101.00884	24.4
101.01505	2.4
107.04986	2.5
110.07260	1.3
110.13907	1.3
112.02378	1.4
112.07586	3.7
116.07110	1.7
116.98638	38.2
118.03520	10.8
119.01929	97.3
127.08680	1.6
127.53244	1.5
128.98724	1.7
130.03540	4.2
131.01892	8.0
133.03471	3.1
134.99673	12.3
137.01949	2.7
137.02965	30.1
142.03532	4.7
144.05058	4.0
144.08739	2.6
144.98117	2.5
145.01686	1.7
145.03365	1.6
146.99615	1.3
149.02950	2.8
154.01746	3.1
156.05066	2.2
160.06371	1.9
161.02940	2.4
162.09808	1.7
165.00768	2.3
168.06546	2.0
168.08737	4.4
168.10262	1.9
169.26680	1.3
172.02832	6.8
172.04549	4.8
172.97652	1.4
173.02992	3.7
173.06630	4.6
183.38919	1.2
186.04388	4.4
186.09773	75.1
188.02409	1.8
190.03886	7.6
190.05594	2.8
190.98662	4.3
191.00308	1.8
191.03969	4.0
191.07690	2.2
196.02928	1.4
196.08363	2.8
197.04912	1.4
197.06651	4.8
204.10846	34.6
208.04930	3.5
208.99640	3.0
209.11191	2.8
214.03882	20.9
214.05705	2.6
214.07394	3.1
214.09180	35.3
214.12625	2.8
214.14394	2.9
215.07648	5.0
232.05003	17.8
232.10335	75.2
233.08711	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	213.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01873	6.8
55.05293	2.3
55.05518	21.0
57.03451	1.9
57.07080	4.7
59.90427	1.8
60.08168	1.5
65.03946	2.6
67.05518	18.9
68.99786	2.4
69.03430	13.1
69.07065	27.6
70.06599	7.9
71.05000	12.9
71.54843	3.0
71.84413	1.6
72.08150	6.9
75.16008	1.5
79.05499	12.2
81.03425	6.1
81.07067	33.0
83.04984	4.3
83.08629	14.1
85.02895	3.9
85.06554	7.3
86.09705	8.3
88.07607	1.8
91.05489	69.4
93.07043	21.8
94.00565	1.5
95.04969	6.1
95.08617	46.1
97.02885	2.8
97.06550	8.5
97.10178	11.2
99.04460	3.9
99.08099	26.8
105.07012	7.6
107.04973	9.6
107.08606	50.4
109.02901	5.3
109.06496	1.9
109.10165	26.2
111.08092	16.2
113.09656	3.7
117.07066	1.9
119.04951	74.7
119.08607	4.5
120.05765	7.3
121.02882	2.5
121.10152	72.2
123.08109	1.9
123.11732	7.0
125.09647	9.7
127.03934	10.7
128.06232	6.3
129.06989	8.2
135.08058	1.9
135.11696	17.5
137.13243	11.2
139.11180	3.3
141.07022	3.8
142.07794	8.1
143.08580	9.6
149.09698	3.3
149.13315	5.0
151.03915	1.9
152.06242	6.6
153.07048	2.6
153.09103	1.9
153.12755	2.7
154.07692	1.9
155.08583	4.7
156.09357	2.6
157.06514	6.8
157.10133	17.5
165.05713	2.0
165.06956	7.8
166.07718	2.6
167.07068	4.3
167.08609	7.1
168.89351	1.6
169.06435	2.0
169.10121	2.0
170.03777	1.9
170.07239	2.8
170.10930	4.5
171.08015	3.1
171.11714	11.8
174.85971	1.7
176.06174	1.7
177.07016	2.4
177.16397	100.0
180.09319	3.3
183.08006	2.6
184.05164	2.6
185.09676	6.5
185.13272	5.4
195.06557	4.2
195.08083	5.9
195.11731	2.1
195.13869	3.9
195.17441	15.6
198.06845	4.7
198.10464	4.4
213.03848	2.3
213.05522	14.3
213.09140	28.0
213.12958	16.2
213.14815	3.7
213.16428	21.5
213.18556	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03951	3.8
55.01872	3.3
55.05513	45.3
57.03432	3.1
57.07082	10.2
57.48458	1.8
59.05003	4.4
67.05502	23.1
69.03429	6.9
69.07072	100.0
69.54506	12.1
70.06587	6.9
71.04646	2.1
71.04995	16.3
73.06561	2.7
79.05490	15.3
81.03407	3.5
81.07059	57.9
83.04979	9.4
83.08622	20.7
85.02937	2.2
85.06548	27.5
88.07658	2.1
91.05489	10.6
93.07050	33.7
95.04981	3.1
95.08611	90.4
97.02884	3.4
97.06532	7.7
97.10168	17.3
98.21499	2.9
99.04471	2.2
99.08096	27.5
105.07044	7.6
107.05013	1.6
107.08598	58.9
109.02873	3.8
109.10160	37.7
111.08073	6.1
111.11723	9.9
113.09664	10.2
115.05492	2.0
119.04950	5.0
119.08603	4.0
120.16755	1.9
121.10151	73.3
123.04442	2.1
123.11703	12.0
125.09649	10.6
127.03925	7.3
127.11132	2.2
128.06250	4.4
129.07033	5.0
131.08554	2.2
133.10115	3.2
135.08150	2.5
135.11690	35.6
137.13264	29.2
139.11201	10.9
141.07031	1.8
142.07806	8.7
143.08569	6.5
149.13290	8.4
151.14859	3.1
152.06171	2.2
153.12735	10.8
155.08603	2.3
156.09361	5.5
157.06493	3.4
157.10136	13.9
165.07019	3.6
167.08612	3.4
170.10957	3.5
171.08041	3.1
171.11653	9.3
173.95883	1.7
177.16393	71.7
180.09351	3.1
183.08072	2.9
185.05876	2.7
185.09601	4.0
185.13298	2.7
191.80255	1.9
195.06549	3.2
195.08138	3.2
195.11731	2.5
195.17445	13.1
198.06940	2.1
198.10426	2.4
202.72662	1.7
213.05435	13.1
213.09048	13.5
213.12785	19.0
213.16400	20.2
213.18539	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03941	2.7
55.01877	1.8
55.05270	1.4
55.05516	22.1
57.03437	2.1
57.07078	10.3
59.04983	1.0
65.03936	1.2
66.36195	0.8
67.05173	1.5
67.05509	22.3
69.03414	3.4
69.07072	29.7
69.85949	2.6
69.86362	2.5
70.06606	5.1
71.05004	8.7
71.08614	2.1
72.08154	2.3
79.05495	23.0
81.03415	3.0
81.07061	58.5
83.04990	1.8
83.08141	1.6
83.08620	25.3
84.08135	1.0
85.02886	1.7
85.06547	11.6
85.10157	1.0
86.09723	2.0
91.05487	27.4
93.07050	44.1
95.04958	4.0
95.08614	100.0
97.02881	1.9
97.06525	2.7
97.10181	9.6
98.97585	1.1
99.04453	1.2
99.08105	8.0
105.07046	6.6
107.04976	2.9
107.08600	67.8
107.28377	0.9
109.02863	2.0
109.06501	2.3
109.10162	44.2
111.08082	5.9
111.11696	2.9
113.09672	1.6
119.04092	1.6
119.04947	22.5
119.08566	2.5
120.05708	2.6
121.10152	94.2
121.36886	0.9
123.08080	4.3
123.11729	10.8
125.09627	3.5
125.13293	1.6
127.03944	5.2
128.06189	1.1
129.06978	2.2
131.08604	1.8
133.10127	2.4
135.08090	1.2
135.11702	24.9
137.09686	0.8
137.12314	1.2
137.13268	14.5
139.03865	1.2
139.05464	1.3
139.11194	8.4
143.08464	2.0
149.09607	3.0
149.13326	7.3
151.03951	1.3
151.07581	1.7
151.11147	1.0
151.14821	2.9
152.06190	2.5
153.05443	1.5
153.12811	1.4
155.08546	1.3
157.06522	1.8
165.06975	1.7
165.16400	8.3
167.07227	1.0
167.08611	2.8
167.10747	1.1
169.10075	1.2
171.11659	1.2
177.09103	3.6
177.16393	95.6
180.45013	0.8
183.17430	1.4
185.05911	1.8
185.09608	1.5
195.06459	2.5
195.08133	2.0
195.10185	3.2
195.17458	11.1
196.15192	2.8
213.05484	4.8
213.09186	7.5
213.12654	3.3
213.16382	2.4
213.18449	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	213.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.9
56.56893	0.6
57.03427	0.6
57.07081	2.7
67.05479	1.4
69.03452	0.8
69.07069	6.3
69.91645	1.3
69.92051	2.3
70.06573	0.8
70.21821	0.5
79.05500	4.8
81.03373	0.6
81.07043	2.6
83.08614	2.4
88.07613	2.1
91.05492	6.7
93.07047	5.6
95.04945	1.3
95.08605	2.0
98.21456	0.8
99.04423	0.8
103.05473	1.4
105.07040	43.9
107.08605	7.0
117.07011	2.9
119.08589	34.2
121.10155	6.4
128.06221	9.0
129.07005	10.5
131.08559	3.3
133.10162	5.3
139.07599	0.6
141.06972	3.7
142.07785	14.9
143.08569	46.6
145.10144	3.7
155.06085	1.0
155.08574	3.7
156.09367	13.9
157.10139	47.8
158.10776	0.9
159.11700	1.7
165.07010	1.3
167.08575	0.9
169.10104	3.5
170.10954	4.3
171.07907	1.0
171.11703	41.0
172.08812	0.8
172.12477	1.7
180.09331	1.6
183.11729	6.5
184.12534	2.1
185.13303	5.9
195.06505	1.4
195.11641	2.7
198.10458	1.0
198.14078	5.1
199.14787	0.7
213.05556	1.0
213.12799	6.8
213.16402	100.0
214.16751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37263	1.1
52.37119	1.1
53.03944	2.2
55.01882	2.1
55.05518	21.3
56.98443	0.9
57.03435	2.0
57.07081	11.1
59.05023	1.1
65.03960	1.2
65.11218	1.1
67.05511	19.7
67.12000	1.1
68.17657	1.0
69.03434	3.2
69.07073	30.5
70.06601	6.9
71.05016	6.6
71.08634	1.7
71.46593	1.3
72.08162	1.6
79.05498	20.6
79.74908	1.2
81.03431	2.6
81.07065	54.8
81.80933	1.1
83.04985	1.7
83.08626	22.5
85.02913	2.0
85.06548	11.7
86.09707	1.3
91.05485	51.8
93.07048	40.0
93.07636	2.4
94.41268	1.3
95.04977	5.5
95.08612	90.9
97.06551	3.3
97.10179	8.4
97.59429	1.3
99.04471	1.5
99.08094	8.2
105.07050	5.8
107.04973	5.4
107.08602	66.3
109.02916	3.3
109.06506	1.2
109.10165	35.7
111.08109	6.5
111.11733	1.5
119.04955	49.2
119.08578	2.6
120.05731	5.7
121.02910	1.8
121.10153	83.4
123.08087	2.9
123.11714	10.8
125.09657	3.6
127.03938	6.4
128.06218	1.4
129.07025	2.6
133.10136	1.7
135.11702	24.5
137.13271	13.9
139.11174	9.5
142.07764	2.5
143.08522	2.4
149.09601	2.2
149.13284	5.8
151.14816	3.3
152.06232	4.2
157.06532	3.0
157.10162	3.0
165.07042	3.6
165.16432	5.5
166.07777	1.4
167.08739	4.3
177.07103	2.6
177.09097	2.6
177.16400	100.0
178.16711	1.7
183.17482	3.2
185.09567	2.1
195.08099	4.5
195.17456	12.2
198.10483	1.4
213.05554	5.6
213.09181	13.0
213.12592	5.0
213.16476	4.0
213.18507	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.39378	1.9
53.03942	5.4
54.24897	2.0
55.01876	4.8
55.05517	20.7
57.03447	21.0
57.07068	4.7
65.03947	2.9
65.07383	1.9
67.05510	78.9
69.03439	2.9
69.07070	22.6
69.92347	11.4
71.01363	9.3
71.05009	9.5
72.08127	1.8
79.05499	60.2
81.03423	9.5
81.07061	32.0
83.04985	18.0
83.08608	5.8
85.06538	4.4
88.07632	4.4
91.05483	26.5
93.06470	4.2
93.07050	73.3
93.14471	1.8
95.04979	7.4
95.08621	9.9
97.06533	21.0
97.10175	12.1
99.04450	2.9
99.08089	2.7
105.07032	8.8
107.04970	2.7
107.08602	43.5
109.06513	2.6
109.10184	6.0
111.08066	2.6
115.05480	1.9
117.07046	6.9
119.08596	15.2
121.06504	5.4
121.10156	18.4
125.09673	2.3
129.07016	3.5
131.08672	2.5
133.10175	5.4
135.11702	100.0
137.09621	4.0
141.06978	2.7
142.07692	2.4
143.08565	7.3
145.10121	23.5
149.13257	2.8
156.09383	5.0
157.10144	8.6
159.11757	2.0
163.11180	14.9
164.11681	2.0
167.21823	2.0
171.11671	9.3
181.12282	13.7
195.06476	4.2
195.11629	2.2
213.12762	8.2
213.16385	20.6
221.11497	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03944	3.4
55.01883	4.4
55.05295	2.2
55.05516	23.5
56.05042	3.9
57.03448	29.0
57.07070	5.9
66.69504	1.9
67.05509	83.7
69.03439	2.5
69.07072	29.7
70.94049	3.1
70.94378	2.2
71.01355	11.4
71.04996	11.5
71.08619	2.5
79.05502	67.5
79.05965	3.4
81.03423	9.8
81.06590	2.4
81.07066	37.7
83.04985	21.9
83.08619	5.0
85.06550	8.1
88.07635	7.4
91.05481	25.6
91.71793	2.0
93.07054	74.0
95.04965	8.2
95.08606	12.5
97.06548	21.4
97.10192	11.0
99.04471	2.4
99.08091	3.6
105.07024	9.1
107.04970	3.4
107.08605	49.4
109.10162	7.0
111.08121	2.3
117.07021	11.8
119.07845	2.5
119.08578	15.9
121.06543	2.6
121.10146	22.5
125.09678	2.5
128.06169	2.5
129.07010	6.1
131.08556	3.3
133.10127	7.1
135.11705	100.0
137.09645	2.5
142.07800	4.5
143.08566	11.8
143.50282	2.0
145.10123	25.6
149.13295	2.3
156.09309	2.7
157.06512	2.0
157.10146	12.9
163.11234	11.0
171.08151	2.3
171.11713	12.8
181.12222	16.5
185.13242	3.9
195.06541	4.5
195.11708	2.2
213.09583	1.8
213.13029	12.1
213.16479	22.4
213.18440	4.0
214.66438	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03938	5.4
55.01868	4.0
55.05519	22.3
57.03430	9.6
57.07073	3.3
67.05510	69.0
69.03423	7.2
69.06725	2.5
69.07074	27.6
69.75930	12.8
70.06604	3.2
71.04983	8.2
71.62212	2.2
79.05499	47.7
81.03418	8.4
81.07064	100.0
83.04974	9.2
83.08630	20.4
85.02898	5.4
85.06558	5.0
88.07642	6.0
91.05480	30.3
92.92236	2.2
93.07048	52.6
95.04975	5.2
95.08612	25.3
97.06518	13.8
97.10159	2.9
99.04546	2.4
99.76999	2.2
105.07031	16.3
107.08595	27.3
109.02891	5.4
109.10162	6.6
110.03634	3.3
111.08076	9.4
115.68932	2.2
117.07001	15.7
119.04938	2.5
119.08575	6.1
121.10162	13.6
123.11718	3.6
127.03914	6.6
128.06238	8.7
129.07030	15.1
131.08592	15.6
133.10126	16.8
133.51811	2.1
135.08081	2.7
135.11688	17.2
139.07426	2.3
141.06982	4.1
142.07800	14.2
143.08586	17.0
143.14761	2.2
145.10153	13.7
149.13280	31.3
155.08556	4.0
156.09352	5.4
157.06494	6.1
157.10132	27.3
159.11700	14.5
165.07016	5.3
169.10136	3.0
170.10925	4.5
171.08058	5.3
171.11728	23.6
177.12767	7.3
180.09343	3.8
185.06004	4.3
185.09648	7.7
185.13257	8.7
195.06557	3.0
195.08107	15.3
195.11795	3.6
195.13860	6.5
198.06787	8.7
198.10405	4.0
213.03760	4.3
213.05539	15.8
213.09200	24.6
213.12926	23.9
213.16403	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03926	2.7
55.01630	1.2
55.01874	16.3
55.05515	72.8
57.03419	2.7
57.07055	1.5
59.04980	2.2
65.03935	1.1
67.05509	31.9
68.42606	0.9
69.03434	11.5
69.07072	17.7
70.04398	1.5
70.04805	3.3
70.06572	3.0
71.04997	78.3
72.08146	2.0
74.24057	0.9
75.11987	0.8
77.11852	0.9
79.05493	24.4
81.03393	3.9
81.07061	34.1
82.47308	1.0
82.90350	0.8
83.04983	7.4
83.08623	48.8
84.08945	1.0
85.06541	10.2
87.04466	10.0
88.07619	2.3
91.05482	7.8
93.06488	1.9
93.07049	23.6
93.73102	1.0
95.04961	2.9
95.08616	15.1
97.02868	2.1
97.06538	92.0
97.10175	67.8
97.10757	1.2
98.20813	1.1
99.08081	1.6
101.05975	1.3
101.09669	2.1
105.07031	4.8
107.04937	2.0
107.08599	25.8
108.08034	1.0
109.02868	2.5
109.06485	3.2
109.09472	1.5
109.10160	24.8
111.08089	5.9
113.05993	1.0
117.07045	6.0
119.04928	1.4
119.08546	3.5
121.06525	2.2
121.10156	9.0
123.11630	1.2
125.05936	0.9
125.09637	40.8
127.03941	4.9
128.06216	2.2
129.06966	2.9
131.08560	5.6
133.10138	6.9
135.08051	6.4
135.11693	7.1
141.06929	1.4
142.07730	3.6
143.08498	3.8
143.10649	1.4
145.06343	1.0
145.10139	1.0
147.11612	1.8
149.09618	2.0
149.13272	6.0
151.11382	1.0
152.06258	1.2
153.07024	1.2
153.09041	2.0
153.12726	0.9
155.08438	1.1
156.09311	1.2
157.06454	1.6
157.10141	9.5
159.11690	7.0
165.06923	2.4
167.08522	1.0
170.07289	1.0
170.10872	1.8
171.08031	1.1
171.10271	1.9
171.11665	4.6
177.12810	7.8
177.16443	4.3
180.09328	2.0
183.08131	1.1
185.05888	2.6
185.09663	1.4
185.13187	2.6
189.11246	7.3
195.06479	1.4
195.08107	1.4
195.13811	43.2
195.17403	2.9
198.06752	1.2
213.04033	0.9
213.05513	8.1
213.09247	6.7
213.12706	8.5
213.14804	100.0
213.16330	5.8
214.15094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
55.01871	4.3
55.05274	1.4
55.05513	19.8
57.03441	7.9
57.07064	3.3
64.87078	1.4
65.03951	3.9
67.05508	69.6
68.99757	1.7
69.03423	7.2
69.07069	29.3
70.06587	2.0
71.05005	8.3
71.55743	1.8
79.05062	2.7
79.05495	38.5
79.14262	1.4
81.03423	7.1
81.07061	100.0
83.04994	10.3
83.08624	19.9
85.02908	6.3
85.06542	6.1
87.00874	1.8
88.07620	3.3
91.05479	31.5
93.07046	59.9
93.07637	2.9
95.04966	7.4
95.08603	26.9
96.36910	1.4
97.02905	1.7
97.06531	14.7
97.10172	4.0
99.04462	1.9
99.08076	3.2
105.07040	14.6
107.04932	1.8
107.08599	33.6
109.02875	4.9
109.06503	2.7
109.10144	5.2
111.04417	2.7
111.08089	9.2
115.05446	4.3
117.07024	15.6
119.08611	9.5
121.06495	4.1
121.10150	18.7
123.11705	5.0
125.02317	3.1
127.03956	11.4
128.06227	7.9
129.07005	14.5
131.04945	2.0
131.08575	15.0
133.10130	18.2
135.08083	2.2
135.11699	13.7
141.06996	5.3
142.07787	16.2
143.03401	1.7
143.08572	19.6
145.10109	14.5
149.12175	2.9
149.13274	28.5
152.06224	6.5
155.08537	4.2
156.09340	4.6
157.06482	3.5
157.10136	28.0
159.11693	18.5
165.06989	3.9
167.08632	6.1
167.14346	2.3
169.07727	1.9
169.10085	3.1
170.07304	3.4
170.10892	3.9
171.08057	3.6
171.11729	23.5
177.12738	8.0
177.16238	1.9
183.04362	1.6
183.08131	1.9
183.11772	2.8
184.05193	1.8
184.12436	2.7
185.05972	3.4
185.09602	7.9
185.13286	4.2
195.06531	2.9
195.08060	45.0
195.11800	3.2
195.13881	7.2
198.06752	19.3
198.10349	2.5
213.03807	4.4
213.05707	11.5
213.09114	48.9
213.12872	11.6
213.16382	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.34676	2.6
55.05513	38.0
56.81456	2.9
57.03434	10.7
57.07077	16.1
67.05511	47.8
69.03443	2.6
69.07076	24.6
69.54482	3.1
70.06609	4.3
71.04989	6.2
71.08609	3.1
73.89767	2.8
79.05497	29.4
81.07060	60.3
83.04998	16.2
83.08624	12.3
85.06541	7.3
88.07635	12.5
91.05476	16.6
93.07047	55.2
95.04961	7.0
95.08615	28.9
97.06538	16.2
105.07035	16.6
107.08601	44.9
109.06521	6.8
109.10162	7.1
111.04449	100.0
111.08092	9.2
117.07017	6.8
119.08600	8.1
121.06490	3.8
121.10155	16.1
124.37695	3.0
125.06001	33.7
127.07645	3.3
129.07030	5.2
131.08565	5.9
133.10194	7.4
135.08083	15.1
135.11684	34.0
139.07550	8.5
139.26430	3.0
142.07790	7.8
143.08568	18.5
145.10133	25.9
149.13248	21.6
149.95580	2.4
153.12761	5.8
155.08524	4.4
156.09395	5.1
157.10136	20.3
159.11682	8.9
163.11191	25.8
165.00177	3.0
169.10167	3.2
171.07962	3.1
171.11700	15.7
175.62215	3.2
181.12245	50.4
185.09566	3.1
185.13287	7.6
195.06506	6.7
195.11894	6.0
195.13820	9.9
212.91336	2.8
213.05498	4.4
213.09160	5.1
213.13045	18.7
213.14699	4.5
213.16487	34.4
226.19011	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	213.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06897	4.4
53.03941	7.1
55.01881	4.2
55.05521	23.1
56.96589	5.1
57.03442	14.0
57.07078	5.6
57.84874	4.2
65.43771	4.7
67.05170	7.3
67.05509	75.6
69.03423	6.6
69.07069	32.2
70.06602	8.6
71.04992	13.7
71.55254	6.7
74.58681	3.9
78.67265	4.9
79.05502	43.7
81.07063	100.0
82.06593	4.9
83.04987	6.0
83.08617	18.1
85.02876	5.7
85.06586	5.1
88.07646	21.3
91.05487	31.8
93.07045	70.0
95.04989	11.0
95.08611	30.8
97.06539	10.5
97.10172	6.5
105.07042	15.9
107.08595	37.9
109.06519	4.5
111.08090	9.7
117.07014	17.3
118.97434	4.7
119.08612	13.0
121.06541	6.5
121.10133	22.4
123.11770	6.0
127.03962	5.2
128.06227	12.9
129.06987	22.4
131.08575	16.2
133.10144	13.3
135.11728	11.2
141.06989	7.1
142.07779	15.0
143.08577	39.2
145.10130	14.5
149.13252	37.2
155.08568	14.2
155.78491	4.2
156.09354	14.5
157.10150	44.3
159.11674	19.1
165.06964	5.3
167.08595	7.1
169.10152	9.9
170.10912	12.8
171.08025	5.5
171.11682	54.3
177.12712	5.9
180.09300	6.6
183.11778	7.8
185.13306	17.7
195.06578	10.4
195.11768	12.6
195.13821	6.0
195.15607	5.6
198.10350	9.2
198.14040	5.5
213.05547	9.9
213.09343	6.9
213.13016	42.9
213.16383	95.1
214.10683	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	213.0911
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
53.03947	0.8
53.13546	0.5
55.01881	1.0
55.05503	1.2
57.03419	0.4
65.03939	1.9
67.05506	1.2
68.99812	0.4
69.03432	5.1
69.07076	0.9
70.06609	2.2
71.04995	0.8
71.14630	1.1
72.08158	0.9
73.88507	0.4
77.69762	0.4
79.05495	1.7
81.03406	1.4
81.07056	1.0
83.08605	0.7
85.02919	0.9
86.09713	0.8
88.07645	0.5
91.05484	90.8
92.05827	1.0
93.07036	1.4
95.04967	4.7
95.08596	1.6
98.43243	0.4
98.97591	0.6
99.04471	0.5
105.03412	0.9
105.07034	1.2
107.04964	11.0
107.08593	1.8
109.02894	0.9
109.10137	0.8
112.04749	0.4
119.04948	100.0
119.08596	1.1
120.05763	8.5
121.02888	1.6
121.06499	0.4
121.10175	2.1
125.06073	0.5
127.03921	2.5
128.06192	2.0
129.07001	1.6
131.04919	0.7
137.13158	0.4
141.06987	1.5
142.07762	1.4
143.08571	0.9
144.05702	0.9
145.06480	0.8
149.09682	0.8
152.06233	6.5
153.06976	1.2
155.08553	1.8
156.09384	0.5
157.06525	2.6
157.08961	0.5
157.10094	2.8
165.07011	7.5
166.07777	2.6
167.07245	0.5
167.08583	9.4
169.06493	1.5
170.07199	0.6
170.10976	2.1
171.08066	1.3
171.11682	0.9
176.06215	3.0
177.07013	6.3
177.08566	0.7
177.09117	0.7
177.16408	0.8
178.07796	0.5
180.09338	3.0
181.06471	0.7
183.08044	1.5
184.05118	0.5
185.05922	0.7
185.09639	1.9
185.13188	2.0
194.07291	1.2
195.06483	0.5
195.08061	6.5
195.09912	0.8
195.11755	2.6
195.13423	0.5
197.06006	0.9
198.06775	1.8
198.10419	1.7
212.08067	0.5
213.03822	0.6
213.05746	2.7
213.09131	21.9
213.12688	7.8
213.16370	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1759
Annotation	Monanchorin
Peak:m/z	Relative Intensity
55.05384	3.7
55.05675	2.2
56.04913	2.6
56.05212	1.3
56.96489	0.8
67.05379	1.9
68.04893	4.3
68.05294	1.2
69.03333	1.1
69.06969	1.2
69.07300	0.7
69.89851	2.7
70.06454	35.2
70.06886	9.9
72.08015	60.3
72.08715	2.1
79.05358	1.6
80.04916	1.3
81.03330	1.2
81.05714	0.7
81.06915	5.9
82.02837	1.6
82.06436	4.0
83.04871	0.8
83.08484	3.7
84.08010	2.1
84.08453	0.9
86.05989	0.8
86.09602	0.8
88.03886	0.9
91.05343	4.6
93.06900	4.7
94.06445	1.1
95.04880	1.7
95.07242	1.6
95.08495	1.1
96.04406	1.0
97.02789	1.0
97.06448	0.7
98.05909	4.3
98.09557	3.5
98.97424	0.7
105.06919	1.2
107.04845	1.6
107.08466	2.7
108.07982	3.9
109.02743	0.9
110.05977	0.8
110.09550	41.1
110.10367	3.0
111.04330	1.4
111.05471	1.0
114.05420	0.9
119.04954	3.8
119.08450	2.4
121.10039	1.2
122.09576	0.9
123.10346	1.3
124.07471	2.6
124.08356	0.9
125.06986	2.6
126.09875	1.1
128.67720	0.7
128.98511	0.9
131.08501	1.0
133.54710	1.0
135.04358	0.8
136.07480	1.2
137.05931	1.0
138.06255	1.9
139.03862	0.8
140.04636	1.1
141.10237	23.2
143.11807	39.9
144.08623	0.7
147.07990	1.3
149.09534	1.3
152.14352	26.6
153.05328	0.9
153.10231	41.6
154.08597	0.7
163.03847	1.5
165.09142	0.8
166.08601	3.6
169.13300	1.7
169.16966	3.2
176.07028	0.7
188.54898	0.8
194.16637	1.8
195.14938	100.0
212.07234	1.7
212.09248	3.0
212.17628	40.1
213.09117	1.4
221.20187	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35940	2.5
53.03941	5.1
55.01865	6.9
55.05518	46.9
56.96556	10.9
56.96806	2.9
57.03434	7.6
57.07075	7.2
59.04993	10.3
65.03944	3.6
67.05502	30.2
69.03426	8.8
69.07072	29.2
69.57296	15.3
71.04997	63.7
79.05125	2.9
79.05499	31.6
81.02984	3.7
81.03426	49.3
81.07060	53.2
83.04993	29.8
83.08626	36.4
85.02878	2.8
85.06533	11.3
86.28382	2.6
91.05487	32.2
93.07052	45.0
95.04989	20.7
95.08611	47.2
97.06536	57.9
97.10168	6.4
99.04459	88.3
99.08089	6.5
101.06023	3.0
105.07034	29.4
107.04943	4.5
107.08617	37.0
109.06512	11.8
109.10144	18.9
111.08078	10.0
115.07577	65.0
116.33285	2.5
119.07726	1.9
119.08581	51.4
119.78495	2.6
121.10117	13.1
123.08077	5.6
123.11713	21.7
125.09670	6.3
127.07565	3.1
129.07018	9.7
131.08568	11.1
133.10144	73.4
135.11703	100.0
137.05952	4.8
137.09636	8.7
141.09091	18.5
141.12787	4.1
147.11685	13.8
149.09645	5.0
149.13165	2.7
153.12738	9.6
154.07715	3.2
155.08560	7.6
155.10648	5.6
156.09268	3.1
157.10129	11.8
163.97777	6.0
169.10085	21.3
170.10863	5.3
175.11217	11.5
175.14835	84.4
181.10173	12.2
182.11006	3.6
183.11725	9.7
193.12279	16.8
193.15871	27.6
196.12445	15.6
205.98776	5.0
211.07581	11.9
211.11180	10.9
211.13228	6.7
211.14807	31.2
211.16962	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03949	4.0
55.01861	5.9
55.05266	2.3
55.05517	38.0
57.03435	8.2
57.07076	7.3
59.04995	4.3
65.03947	2.9
67.05510	45.9
69.03431	40.3
69.07070	33.7
69.91605	7.2
70.06586	8.1
71.05001	13.1
71.08624	2.5
79.05508	27.0
79.91257	1.6
81.03420	30.0
81.07065	55.8
83.04988	30.4
83.08625	20.0
84.05358	2.5
85.02904	7.5
85.06542	15.9
88.33768	1.7
91.05489	21.0
93.07050	37.9
95.04974	25.6
95.08610	69.9
97.02888	3.6
97.06550	9.2
97.10184	8.0
98.20815	2.2
99.04445	4.6
99.08098	25.2
100.33150	1.9
101.06007	3.3
105.07037	34.9
107.04942	4.8
107.08599	50.1
108.08944	2.0
109.06530	15.0
109.10162	100.0
111.04474	3.7
111.08097	15.9
113.09627	4.0
117.07056	3.0
117.69949	1.8
119.04840	2.1
119.06110	3.3
119.08588	52.1
121.06492	4.0
121.10151	32.4
123.04438	6.2
123.08062	22.6
123.11704	16.2
125.09637	67.5
127.07539	2.3
127.11212	3.2
129.06987	3.0
131.08600	5.8
133.10138	61.2
135.11702	64.1
137.05978	21.3
137.09625	32.8
139.03966	4.0
139.07635	2.3
139.11221	2.3
141.06956	3.1
147.11714	8.3
149.06010	4.2
149.09683	2.1
149.13258	14.9
151.07558	2.9
151.11217	10.9
151.14825	8.1
152.07069	10.4
153.09122	2.3
153.12794	3.5
155.08609	4.3
155.10684	8.2
157.10124	5.1
163.14830	9.0
165.07057	3.5
165.16473	3.2
166.08635	7.1
167.07071	21.2
169.10146	3.2
169.14899	2.9
173.13208	1.7
175.11214	4.8
175.14868	40.6
181.04982	3.3
181.08627	2.3
183.06494	1.8
183.08035	2.9
193.12297	13.5
193.15924	34.8
194.11827	3.1
196.12329	1.8
211.07729	9.8
211.09515	4.0
211.11320	3.8
211.13007	2.9
211.14822	4.9
211.16956	34.7
211.18816	3.7
212.09122	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.43076	0.7
51.35659	0.7
53.03948	1.3
54.53299	0.7
55.05268	1.1
55.05515	15.1
57.03444	4.2
57.07064	3.5
59.05006	4.4
65.03925	1.3
67.05508	39.3
69.03431	6.0
69.06725	1.3
69.07071	18.8
69.93000	1.4
69.93398	2.4
71.04998	5.1
71.08591	1.0
79.05487	9.8
81.03412	4.2
81.06581	1.4
81.07060	31.8
83.04984	8.2
83.08618	12.1
85.06528	5.0
91.05475	5.5
93.07049	17.2
95.04966	5.3
95.08612	100.0
97.06533	3.8
97.10155	3.3
98.21383	1.5
99.08095	3.2
101.06013	2.3
105.07035	10.6
107.08604	22.1
109.06526	6.6
109.10162	70.6
110.10490	0.9
111.08076	4.2
113.09642	1.3
115.07568	5.5
119.08585	17.3
121.10148	12.2
123.08066	6.6
123.11711	10.9
125.09629	6.4
129.07025	1.0
131.50227	0.9
133.10143	17.1
135.11691	37.9
137.09628	19.2
137.13222	1.6
139.11180	6.3
147.11723	4.3
149.13281	5.3
151.11217	5.5
151.14819	5.9
153.12733	1.9
157.10121	1.0
157.90036	0.8
163.14836	8.9
165.12701	2.3
165.16386	3.4
167.07008	4.5
167.10654	0.9
169.10104	1.0
175.14838	21.4
181.15848	3.0
193.12198	1.5
193.15887	26.0
211.11133	1.3
211.14893	1.6
211.16934	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.05263	1.9
55.05512	19.9
57.03434	6.2
57.07073	5.8
59.04994	5.3
65.03940	3.3
67.05508	77.2
69.03423	6.5
69.07073	25.5
69.40794	11.0
70.51358	1.4
71.04984	5.6
75.30867	1.4
77.81544	1.3
78.85599	1.6
79.05487	11.4
81.03419	3.3
81.07060	39.8
83.04971	10.3
83.08615	15.1
85.06544	14.7
91.05484	7.6
93.07034	22.6
95.04979	5.5
95.08609	93.4
97.06525	3.9
97.10185	8.5
99.08070	8.1
101.06017	3.6
105.07047	10.7
107.08600	32.0
109.06511	6.3
109.10158	100.0
110.10529	1.9
111.08086	8.6
113.06002	4.7
115.07557	5.2
119.08578	19.9
121.10146	13.0
123.08092	8.1
123.11710	11.9
125.09630	10.8
127.11185	3.8
133.10126	18.6
135.11696	40.3
137.05991	2.9
137.09615	16.8
137.13232	2.2
139.11166	4.8
146.24312	1.8
147.11693	6.9
149.13277	10.1
151.11206	7.8
151.14810	7.5
163.14836	14.2
165.12747	2.2
165.16368	3.7
167.07074	10.3
167.10716	2.7
175.14832	28.3
181.15837	2.4
183.15860	1.4
193.12274	2.0
193.15892	25.8
197.53452	1.3
211.07658	3.6
211.15004	4.1
211.16933	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03944	2.9
55.01871	2.1
55.05515	18.5
57.03439	3.1
57.07067	3.3
59.04998	1.9
63.11978	1.2
65.03944	3.1
65.11300	1.3
67.05168	2.4
67.05509	32.7
69.03434	9.0
69.07069	12.8
70.06593	3.8
70.37652	4.6
71.05017	8.3
71.08607	1.5
72.08147	2.8
79.05499	16.6
81.03421	19.6
81.07065	29.8
83.04977	15.2
83.08622	13.1
85.02917	1.7
85.06548	4.8
90.10793	1.2
91.05482	19.3
93.07056	21.7
95.04978	100.0
95.08612	34.2
96.05310	2.5
97.06550	4.9
97.10189	1.8
99.04454	5.9
99.08097	34.2
101.06012	2.3
103.05459	1.5
103.43048	1.3
105.07045	21.4
105.45202	1.4
107.04963	4.4
107.08598	23.5
107.10301	1.4
109.06530	8.8
109.10169	43.1
109.10921	2.1
110.06831	1.9
111.04456	2.0
111.08089	5.5
115.05468	1.8
119.04939	5.2
119.08590	23.6
121.06538	3.4
121.10148	14.2
123.04423	3.6
123.08086	5.9
123.11721	10.3
125.09641	14.3
129.06996	3.9
131.08588	3.4
133.10149	24.4
135.11687	19.6
137.05988	26.2
137.09621	41.3
147.04384	5.3
147.08101	1.9
147.11700	8.4
149.06064	1.9
149.09682	1.8
149.13290	3.8
151.07599	6.4
151.11253	2.9
151.14943	2.0
153.05521	2.4
153.12697	1.5
155.10678	23.0
157.10201	3.1
161.06084	1.5
163.14870	4.9
165.06998	2.2
165.09215	1.6
165.12816	1.5
165.16418	2.5
167.07068	10.6
168.09279	1.5
169.10031	2.0
175.11267	3.8
175.14847	17.9
179.07062	2.7
181.08617	1.8
193.12250	6.6
193.15927	19.1
196.07343	3.5
211.05937	2.6
211.07613	3.6
211.09738	4.2
211.11534	5.0
211.13309	2.8
211.15067	2.9
211.16953	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.46510	1.0
53.03947	5.1
55.01880	5.6
55.05515	43.0
57.03439	8.9
59.05012	2.1
65.03936	2.3
67.05508	32.3
69.03132	0.9
69.03438	9.8
69.07072	11.6
69.91321	4.7
70.27809	0.9
71.04997	6.5
75.45504	0.9
79.05497	33.1
81.03423	100.0
81.07062	34.8
83.04987	46.3
83.08150	1.3
83.08624	33.3
85.06548	2.7
91.05489	34.3
93.06490	1.3
93.07048	18.1
95.04977	30.4
95.08617	13.0
97.02892	3.6
97.06558	5.6
97.10175	9.0
102.60859	0.9
105.07034	23.9
107.04964	5.9
107.08605	8.7
109.06499	6.6
109.10146	3.4
111.04440	3.0
111.08083	11.7
113.05985	1.2
115.05450	1.2
117.07047	1.1
119.04932	1.5
119.08586	21.9
121.06522	1.6
121.10167	8.2
123.08067	4.5
123.11643	1.6
125.09612	2.3
129.07011	11.2
131.08571	11.9
133.06483	1.9
133.10133	10.1
135.11716	1.3
137.05957	1.5
137.09621	2.9
142.07755	2.5
145.10133	1.4
147.08072	3.8
147.11702	15.3
149.09624	6.6
151.11150	1.4
154.03169	1.1
155.08586	1.1
157.10149	17.3
165.12764	4.4
167.07025	2.2
169.10175	2.6
175.11203	15.7
181.10054	1.1
193.12242	31.3
196.08998	1.1
196.12445	1.5
211.11327	2.2
211.13278	13.9
211.14914	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03942	5.0
55.01880	6.2
55.05515	41.9
56.96576	1.6
57.03444	6.8
57.07080	1.3
57.31783	1.1
59.04981	1.7
65.03937	2.6
67.05506	32.3
69.03433	9.4
69.07073	11.9
71.04985	5.6
71.55657	1.2
77.94598	1.0
78.67856	1.0
79.05498	34.4
81.03423	100.0
81.07063	37.1
83.04986	48.8
83.08138	1.8
83.08623	29.8
85.02885	1.5
85.06531	4.3
91.05484	32.8
93.07047	16.5
95.04974	32.2
95.08619	15.7
97.02887	3.9
97.06522	4.5
97.10174	7.9
99.04459	1.9
99.08091	2.1
101.09695	1.1
105.07034	22.1
107.04965	5.3
107.08615	8.1
109.06506	6.9
109.10153	3.7
111.04447	2.4
111.08099	10.9
115.05418	2.0
117.06994	2.2
119.08591	18.5
121.06467	1.9
121.10158	8.2
123.08055	4.1
125.09614	2.9
128.06169	1.6
129.07011	12.5
130.85396	0.9
131.08583	11.3
133.06499	2.8
133.10136	12.8
135.08041	1.3
137.09584	3.2
141.06967	1.1
142.07741	2.9
145.10109	2.7
147.08063	2.9
147.11711	14.4
149.09634	7.4
155.08585	2.3
157.10136	14.9
165.12779	2.4
167.08530	1.3
169.10118	3.8
175.11197	14.8
181.10072	1.3
183.11664	1.6
193.12253	35.6
196.12411	2.0
205.98759	1.3
211.11064	4.2
211.13266	14.0
211.15211	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03945	6.1
55.01877	5.0
55.05516	42.0
57.03445	10.0
59.05015	1.7
65.03950	1.2
67.05511	28.4
67.92258	0.9
69.03442	11.3
69.07074	10.5
70.60861	2.9
71.04999	26.1
73.06554	1.2
79.05499	34.3
81.03425	100.0
81.06580	2.2
81.07063	44.0
83.04989	50.0
83.08624	33.4
85.06539	2.2
91.05486	34.1
93.07051	21.5
95.04977	28.8
95.08613	11.8
97.02894	2.8
97.06533	3.8
97.10186	9.0
99.08061	1.2
105.07043	26.8
107.04966	7.0
107.08602	9.2
109.06532	5.9
109.10138	3.7
111.04436	2.9
111.08099	14.1
113.06044	1.3
115.05460	1.7
117.07058	1.5
119.04900	1.2
119.08588	21.0
121.06524	1.9
121.10166	7.6
123.08099	5.2
123.11726	6.3
125.09676	6.3
127.07587	1.4
128.06274	1.2
129.07022	10.1
131.08586	15.4
133.06519	3.1
133.10127	11.1
135.11716	1.2
137.05991	1.5
137.09599	1.8
142.07771	3.4
145.10175	2.2
147.08058	4.0
147.11691	12.1
149.09647	7.3
152.78424	1.0
155.08649	1.3
155.10611	2.0
157.10146	15.3
165.12743	3.5
167.06996	2.6
169.10172	2.4
172.50281	1.0
175.11192	17.6
193.12257	34.4
196.12526	1.2
211.11313	1.9
211.13272	15.9
211.14847	1.2
211.16785	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.09529	0.8
53.03946	5.2
53.06679	0.9
55.01878	5.3
55.05516	42.4
56.96552	1.9
57.03433	7.7
57.07079	4.6
59.04985	1.4
62.23741	1.0
65.03926	2.0
65.12470	0.8
67.05508	32.9
69.03133	0.8
69.03432	9.8
69.06728	1.3
69.07070	14.8
69.33828	4.3
69.34254	2.9
71.04996	5.5
71.08654	1.7
72.06690	0.8
73.06551	1.0
79.05498	31.8
81.03424	100.0
81.06589	1.7
81.07062	38.4
83.04986	53.9
83.08624	35.7
85.06530	2.4
90.42911	0.8
91.04906	0.9
91.05487	34.8
93.07053	18.3
95.04976	36.7
95.08607	15.0
97.02895	5.2
97.06546	4.8
97.10166	8.0
98.20712	1.7
99.08092	2.0
105.07037	23.0
107.04966	6.1
107.08618	8.8
109.04813	0.8
109.06509	6.2
109.10142	4.0
111.04435	2.9
111.08082	11.5
113.06020	1.7
115.05453	1.5
117.07014	1.5
119.08582	21.4
121.06486	1.3
121.10138	8.0
123.08060	3.7
123.11713	1.6
125.09576	1.7
128.06226	1.6
129.07018	12.7
131.08577	12.0
133.06522	3.2
133.10150	13.1
135.11679	1.3
137.09615	2.7
141.06996	1.0
142.07770	2.3
145.10103	2.4
147.08047	3.1
147.11687	15.7
149.09648	7.5
151.11147	2.2
155.08524	1.7
157.10136	17.7
163.97629	1.1
165.12730	3.7
167.08586	1.4
169.10159	2.8
175.11198	18.8
183.11694	1.1
193.12263	40.7
196.12512	1.5
205.98723	1.3
211.11224	1.8
211.13255	15.7
211.14954	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	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03942	6.3
55.01875	15.0
55.05512	55.7
56.96561	7.7
57.03440	10.7
57.07080	5.7
65.03958	3.1
67.05508	94.4
68.54211	1.9
69.03429	10.2
69.07076	31.0
69.99567	7.9
70.06585	2.7
71.01348	1.8
71.04996	16.5
75.18053	1.6
75.71983	1.6
77.03956	2.0
78.04307	1.7
79.05495	83.9
79.18805	1.6
81.03423	67.1
81.06577	4.1
81.07063	92.3
83.04987	50.7
83.08623	36.7
85.02901	20.1
85.06557	10.8
87.04479	8.6
91.05486	99.2
93.07048	58.6
95.04975	100.0
95.08611	56.0
97.02904	4.1
97.06530	22.4
97.10198	10.3
99.04454	2.9
99.08131	2.4
101.02370	3.2
103.05439	2.0
105.07040	68.4
107.04964	25.7
107.08602	52.2
109.06520	35.0
109.10160	21.1
111.04473	16.4
111.08094	12.2
113.06010	7.1
115.05460	4.9
117.07018	12.5
119.04979	2.9
119.08590	48.8
121.06519	3.8
121.10147	20.9
123.04440	3.9
123.08089	9.1
123.11697	12.7
125.09669	12.6
127.07520	2.0
128.06259	4.9
129.07016	25.1
131.08559	25.0
133.06520	11.4
133.10138	49.4
135.08066	28.6
135.11713	9.9
137.06039	2.9
137.09602	6.3
137.10619	2.3
141.07039	2.4
142.07797	7.3
145.10139	3.2
147.08081	4.9
147.11705	36.1
149.09633	19.3
151.07693	2.1
151.11191	30.4
151.14764	2.3
153.09143	3.8
155.08591	5.1
157.10121	20.3
163.11237	2.1
165.07056	2.3
165.09062	2.1
165.12753	19.3
167.07030	5.1
167.08521	2.2
169.10139	9.9
169.12291	8.2
175.11201	34.2
175.14841	7.1
180.52965	2.6
181.10175	3.9
183.11649	4.4
189.53546	2.2
193.12250	46.7
193.15918	4.6
196.12567	5.7
205.98799	3.0
211.07573	4.4
211.11330	3.1
211.13286	25.7
211.15103	14.6
211.16783	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	210.1126
Annotation	Anhalamine
Peak:m/z	Relative Intensity
56.05050	0.3
56.96592	0.3
62.06095	0.6
65.79811	0.2
68.05044	0.5
71.09102	0.4
72.04507	1.5
74.06129	0.3
79.05502	1.9
79.81165	0.2
81.03389	0.3
84.08128	0.4
91.05479	5.1
93.07074	0.8
95.01317	0.5
95.04994	0.5
101.04782	0.3
103.05476	5.7
104.04972	0.3
105.07037	7.4
107.04958	2.2
109.06532	0.4
115.05466	0.4
117.05765	1.7
117.07017	3.0
118.06551	4.2
119.07330	6.3
119.08604	0.4
120.08109	8.5
123.36992	0.3
128.06239	0.8
129.07004	5.1
130.06488	0.6
131.04913	1.9
131.07335	1.7
132.08047	0.3
137.05968	1.1
144.08075	0.8
146.08505	0.3
146.09657	6.7
149.06009	0.3
150.05530	0.3
150.09161	2.2
164.10718	100.0
165.11053	1.3
166.08600	0.5
179.06982	0.3
192.10161	0.7
210.07828	0.5
210.11246	11.3
210.13249	0.6
210.14867	0.5
226.63472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03943	8.6
55.01866	5.4
55.05260	4.0
55.05515	57.1
56.96561	10.9
57.03440	11.5
57.07072	21.2
65.03937	2.6
67.05508	53.3
69.03415	9.1
69.07083	23.6
70.06609	3.7
71.04982	8.9
71.08623	8.6
71.55598	3.7
79.05495	37.8
81.03420	100.0
81.07058	57.6
83.04988	58.6
83.08620	39.8
84.96051	2.9
85.02933	3.4
85.06535	2.9
85.10183	4.0
91.05489	50.0
93.07047	28.9
95.04976	42.0
95.08610	33.2
97.02863	4.4
97.06524	8.6
97.10166	8.9
97.99162	3.7
99.08125	2.6
105.03402	7.5
105.07029	34.6
107.04964	8.7
107.08589	14.8
109.06514	10.7
109.10156	11.1
111.04455	3.7
111.08089	13.4
115.05446	4.1
117.06960	3.0
119.08575	26.5
120.53766	2.2
121.10148	13.1
123.08086	8.2
123.11732	4.1
125.09634	5.2
129.06987	13.0
131.08548	14.5
133.06526	3.4
133.10117	21.7
135.11649	2.7
137.06020	4.1
137.09628	4.6
137.42314	2.4
141.06944	4.0
142.07773	5.5
145.96597	2.4
147.08015	5.1
147.11699	18.8
149.09625	8.6
155.08540	9.7
157.10146	16.7
163.97685	5.9
165.06961	4.1
165.12738	6.4
167.08548	3.7
168.09421	3.0
169.10136	9.0
175.11241	16.9
175.14824	4.5
181.10141	3.9
183.11694	6.4
193.10403	4.5
193.12195	36.4
193.13838	2.8
196.08858	3.0
196.12535	7.2
205.98782	4.3
211.07642	5.3
211.11113	9.5
211.13283	15.7
211.15121	14.0
230.21339	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03937	3.3
55.01879	15.3
55.05515	21.3
57.03431	6.3
67.05505	44.1
69.03419	3.4
69.07068	22.8
70.34907	2.4
71.04988	7.8
71.16351	5.9
79.05061	3.5
79.05498	37.5
81.03410	8.1
81.07059	100.0
83.04990	13.2
83.08607	9.8
85.06563	6.0
86.04504	2.9
86.49088	3.1
91.05487	71.1
93.07024	19.6
95.04962	15.7
95.08614	25.1
96.90689	2.7
97.02916	3.5
97.06548	19.5
99.08097	2.7
105.07029	54.4
107.04988	3.0
107.08606	17.7
109.06520	13.8
109.10153	6.5
113.05926	4.4
115.05418	4.1
117.07033	3.3
119.08578	50.6
121.10133	22.6
123.08047	6.3
123.11718	25.0
129.06981	14.3
131.08563	12.7
133.10129	57.1
137.05959	4.8
147.10498	4.8
147.11690	96.2
149.09622	5.9
151.07594	4.3
157.10121	21.5
165.12802	20.8
167.07016	4.9
175.11188	30.0
188.17900	3.2
193.12242	23.7
211.11349	5.8
211.13281	10.3
211.14964	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.42353	1.3
51.42622	1.4
53.03932	1.9
55.01860	3.9
55.05266	1.8
55.05514	25.6
57.03428	5.7
57.07071	3.3
59.05003	4.0
62.62413	1.4
62.81606	1.2
65.03930	1.9
66.49889	1.5
67.05509	13.7
69.03433	8.4
69.07075	9.2
69.66318	6.3
69.66726	1.8
71.04990	7.7
71.19078	1.3
71.78986	1.3
79.05494	16.7
80.71922	1.7
81.07056	28.3
83.04983	32.1
83.08616	16.7
85.06525	3.8
91.05482	10.7
93.03450	1.9
93.07048	23.2
95.04971	64.6
95.08604	13.8
97.06538	26.6
97.10178	3.2
98.20811	2.8
99.04467	12.7
99.08099	1.5
103.05488	1.7
105.07033	12.2
106.04200	3.2
107.04979	2.7
107.08597	28.2
109.06521	100.0
109.09464	1.8
109.10165	24.6
111.04442	1.7
111.08064	6.9
113.05981	1.7
113.09634	1.8
117.07003	5.0
119.08553	7.2
121.06528	9.0
121.10162	22.1
123.08071	8.0
123.11724	6.5
125.09619	10.4
129.06955	2.0
131.08565	7.9
133.10146	25.4
135.08046	13.7
135.11681	6.5
141.29335	1.6
143.08589	2.2
145.10155	4.4
147.11658	3.9
149.06007	6.9
149.09612	4.0
149.13269	9.8
151.11179	14.1
153.09122	34.0
158.10915	2.0
163.07507	2.1
163.11194	2.2
163.14832	6.2
167.14339	21.9
173.13274	13.7
177.05466	4.0
181.08748	1.7
186.59891	1.5
191.07104	2.0
191.14313	20.5
194.00360	2.1
209.08083	3.4
209.15359	40.1
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
55.01865	3.9
55.05510	11.8
57.03421	6.2
57.07075	5.6
58.72758	2.1
59.04989	5.9
59.61196	2.0
60.85902	1.9
65.03928	2.4
67.05512	13.3
68.99805	3.4
69.03416	9.6
69.07072	20.7
69.67416	11.3
71.04977	8.5
79.05490	19.1
79.52321	2.0
81.07061	38.6
83.04991	21.5
83.08611	9.0
83.39129	2.5
85.06526	7.9
91.05471	17.6
93.07043	42.2
95.04963	15.0
95.08607	26.5
96.30014	2.0
97.06538	12.8
99.04463	4.1
99.08102	25.1
102.27917	2.0
103.05493	2.2
105.07033	21.5
105.33154	2.0
106.04193	2.6
107.04919	5.7
107.08593	62.0
109.06528	16.1
109.10162	30.0
109.87762	1.9
111.08083	12.5
117.06968	4.1
119.08549	8.8
121.06519	14.8
121.10143	39.4
123.08061	17.9
123.11689	8.6
125.05981	7.0
125.09615	13.0
131.08585	16.2
133.10141	27.8
135.08070	18.9
135.11679	6.7
137.09624	13.2
139.07541	7.1
139.11156	4.3
145.10106	4.6
145.14128	2.2
147.11670	9.0
149.05994	4.0
149.09631	100.0
149.13260	29.9
151.11195	50.3
153.09123	19.3
154.09975	3.0
158.10768	2.3
160.70090	2.1
163.11224	2.5
163.14862	16.1
173.13278	22.4
173.82947	2.3
181.15936	2.5
191.14293	36.3
194.45926	2.1
209.13438	4.2
209.15369	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Prosopidione
Peak:m/z	Relative Intensity
55.05512	5.0
57.03433	0.9
59.05010	0.6
63.82701	0.3
65.03927	0.4
67.05508	2.0
69.03434	0.5
69.82029	1.5
71.05001	4.7
79.05515	0.8
81.07060	2.5
83.04984	6.0
83.08619	2.7
85.06559	1.2
91.05486	0.7
93.07044	2.3
95.04974	100.0
95.08619	0.9
96.48469	0.3
96.87506	0.3
97.06551	1.8
97.10207	0.6
99.04463	16.9
102.00716	0.3
105.07027	0.8
107.08606	2.1
109.06520	5.5
109.10159	2.4
111.08083	1.9
115.07578	0.4
119.08611	0.6
121.10158	1.4
123.08030	0.6
123.11707	1.0
123.80891	0.3
125.09643	0.8
129.87112	0.3
131.08569	0.7
133.10138	4.7
135.08047	1.2
135.11726	0.5
136.93533	0.3
149.13254	1.2
151.11197	3.5
153.09113	25.9
163.14861	0.5
167.14320	4.8
173.13257	2.8
191.14314	3.3
193.49399	0.4
209.15378	11.7
220.70882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	Prosopidione
Peak:m/z	Relative Intensity
55.01879	0.6
55.05511	14.0
59.05000	1.2
59.66507	0.8
63.02616	0.6
67.05511	3.5
69.03440	1.2
69.07065	0.9
69.35566	2.4
69.35990	3.1
71.04990	4.7
79.05527	0.9
81.07065	3.2
83.04982	18.2
83.08627	7.7
85.06543	1.8
93.07038	3.0
95.04973	100.0
95.08601	1.7
97.06539	2.2
97.10186	1.3
99.04459	19.5
102.06889	0.7
105.07042	1.3
107.08616	4.2
109.06527	3.7
109.10171	4.1
111.08083	4.1
117.14951	0.7
121.10168	2.4
123.11709	2.5
125.09633	3.4
131.08569	1.1
133.10143	5.3
139.26303	0.7
149.13280	1.9
151.11185	9.2
153.09106	28.6
167.14331	18.2
173.13263	3.6
191.14345	3.2
209.15382	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.60309	1.6
53.03958	2.2
55.01865	3.8
55.05511	73.2
56.01392	1.8
57.03427	3.7
57.07074	2.6
58.91122	1.9
59.04988	4.2
67.05489	9.4
69.03413	6.3
69.07053	4.6
69.20851	21.2
71.04980	8.5
75.89634	1.8
79.05482	7.1
81.07052	13.8
83.04983	100.0
83.08625	40.7
85.06538	3.2
91.05453	3.4
93.07043	13.3
95.04971	43.7
95.08588	5.3
97.06536	9.6
97.10163	7.2
99.04446	7.7
99.08128	2.5
105.07031	5.5
107.08614	17.1
109.06522	18.8
109.10159	23.7
111.08097	9.6
121.06496	2.5
121.10132	13.8
123.08041	5.1
123.11723	11.6
125.09648	13.2
131.08504	3.1
131.30186	2.2
133.10117	9.4
135.08022	4.2
137.09692	2.2
149.13245	8.8
151.11179	40.0
153.09097	18.5
163.14819	3.4
167.14326	77.0
173.13258	7.8
191.14346	11.6
209.15373	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.61650	1.3
51.93615	1.2
53.03936	1.9
55.01864	2.6
55.05267	2.0
55.05514	31.7
57.03442	2.8
57.07071	3.7
59.05003	4.4
65.03948	2.0
67.05503	7.3
68.40207	1.2
69.03431	6.8
69.07073	8.4
70.90293	2.0
70.90638	1.6
71.04989	4.6
79.05491	12.4
80.88210	1.1
81.07059	21.5
83.04986	38.7
83.08621	19.1
85.06554	5.3
85.10172	1.2
91.05453	9.0
93.07047	19.8
95.04975	33.3
95.08615	10.2
97.06538	28.2
97.10169	4.1
99.04426	4.4
103.05495	2.0
105.07037	9.6
106.04169	2.4
107.08601	25.9
109.06523	100.0
109.10163	24.1
111.08074	7.7
112.88470	1.0
119.04904	1.3
119.08582	3.8
120.40880	1.4
121.06502	4.2
121.10149	46.4
123.08089	5.6
123.11705	5.2
125.09645	7.2
131.08542	7.1
133.09282	0.7
133.10132	22.6
135.08060	9.2
135.11699	3.8
145.10168	2.7
147.11685	2.9
149.06000	5.3
149.13203	6.4
151.11201	17.8
153.09113	27.8
158.10913	2.2
163.14827	9.5
166.00812	1.5
167.14326	26.6
173.13284	11.1
177.05508	2.9
191.14311	16.6
194.00290	5.3
194.02133	4.5
209.02695	4.0
209.04459	6.5
209.15382	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	209.1537
Annotation	Prosopidione
Peak:m/z	Relative Intensity
53.03939	3.8
55.01867	3.9
55.05516	69.3
57.03403	2.4
59.05008	2.4
65.43273	1.7
67.05504	7.2
69.03433	9.0
69.07059	6.1
69.63778	4.7
69.64185	6.4
71.05003	9.3
71.65263	2.1
72.48700	1.8
72.99068	1.9
77.36921	1.8
79.05488	5.4
81.07039	10.3
82.06589	2.6
83.04987	91.9
83.08622	38.4
85.06531	3.4
89.03959	2.1
91.05465	7.9
93.03407	3.5
93.07047	11.5
95.04977	100.0
95.08591	6.8
97.06532	8.3
97.10167	11.3
99.04449	15.9
99.08121	1.9
100.11267	4.6
103.05431	3.4
103.10348	1.9
105.07047	4.0
106.04196	8.8
107.08601	19.5
109.06519	3.9
109.10172	19.6
110.05995	2.5
111.04433	2.3
111.08070	12.3
117.03352	2.3
121.06492	7.4
121.10126	9.1
123.11679	11.6
125.05963	3.0
125.09621	10.4
130.01633	1.8
130.83803	2.0
131.04942	3.1
131.08582	2.4
133.10124	7.7
134.03679	2.8
135.08003	1.9
135.11684	3.3
145.02838	4.0
149.06009	10.0
149.09619	2.5
149.13246	7.3
151.11195	34.5
153.09131	23.7
154.45847	1.9
163.07416	2.2
163.14780	2.9
167.14333	67.8
173.13242	3.0
177.05525	12.2
182.15373	2.6
191.14270	5.5
209.08090	4.4
209.15324	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	1.2
55.01874	4.8
55.05515	16.6
57.03428	2.1
57.07059	3.0
59.04991	1.5
65.03899	1.0
67.05511	8.2
69.03432	9.5
69.07078	5.6
71.04980	4.0
79.05498	8.5
81.03385	1.7
81.07056	14.9
82.22355	0.9
83.04498	1.3
83.04986	24.1
83.08619	11.0
85.06528	3.2
91.05487	5.3
93.07047	13.8
95.04974	100.0
95.08609	11.9
97.02840	1.3
97.06514	4.1
97.10155	2.7
98.21606	1.8
99.03848	1.6
99.04459	22.0
99.08060	1.4
100.81014	0.9
103.05424	1.0
105.07037	5.4
107.04945	1.9
107.08607	14.4
108.51646	1.1
109.06523	5.9
109.10168	7.5
111.04433	2.8
111.08072	5.0
113.13314	1.0
117.06950	1.3
117.95956	2.6
119.08570	3.9
121.06474	2.1
121.10133	6.0
123.08070	2.5
123.11698	4.7
125.08873	1.1
125.09638	11.5
131.08563	3.3
133.10152	8.5
135.08054	5.1
135.11671	5.7
135.96962	1.4
145.10083	3.2
147.11710	1.6
149.05849	1.2
149.09590	3.5
149.13246	6.3
151.11218	9.2
153.09116	23.4
156.89661	0.9
158.15065	1.1
163.11174	1.6
163.14810	1.4
165.06938	1.5
165.12727	3.2
167.14331	14.9
173.13260	5.3
177.12689	1.7
179.08546	7.7
191.06906	1.3
191.10677	1.4
191.14302	20.2
194.02173	1.2
194.10899	5.6
209.04393	2.1
209.09837	1.7
209.11650	2.4
209.13251	9.0
209.15329	42.8
209.18886	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05516	15.9
57.03434	3.0
57.07078	9.3
59.67262	1.5
65.03936	1.4
67.05508	10.9
69.03080	1.9
69.03432	24.7
69.07053	5.3
70.44057	3.7
70.44406	1.9
71.04990	4.7
79.05501	10.8
81.03426	2.0
81.07060	18.0
82.64005	1.3
83.04986	26.4
83.08639	6.4
85.06554	8.0
91.05474	7.0
93.03371	1.5
93.07055	10.8
95.04980	22.0
95.08617	12.6
96.84627	1.3
97.06551	8.9
99.04458	5.5
99.08051	2.0
103.66541	1.3
105.07027	10.6
106.04165	3.1
107.04900	1.4
107.07872	2.1
107.08598	34.3
109.06537	24.6
109.10162	8.8
111.08098	11.2
115.05407	1.4
117.07008	2.4
119.08594	5.6
121.06509	6.8
121.10161	16.6
123.08064	5.6
123.11707	9.1
125.05978	1.6
125.09638	62.1
125.10563	3.0
131.04968	1.7
131.08614	7.2
133.10138	14.4
135.07082	1.9
135.08064	17.2
135.11722	8.4
137.09619	4.4
137.13280	1.9
145.10112	5.5
147.11685	4.3
149.05974	4.6
149.09624	9.4
149.13260	10.2
151.11183	8.7
153.09119	23.4
158.10889	3.9
161.09621	2.7
163.11218	4.1
163.14810	5.4
165.12776	13.3
167.14279	8.1
173.13263	18.9
177.05510	3.2
191.14317	92.7
209.08195	2.0
209.15375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.32058	0.7
55.01879	1.4
55.05516	10.2
57.03448	2.8
57.07081	1.4
61.02935	1.3
65.03959	0.8
67.05505	8.3
67.60529	0.7
69.03434	100.0
69.07075	4.6
69.44625	4.3
69.45045	1.9
71.05007	1.3
79.05499	9.2
81.03419	4.6
81.07062	23.0
83.04982	3.7
83.08630	3.3
85.02897	1.2
85.06544	4.2
91.05490	4.7
93.07056	13.0
95.04972	7.3
95.08617	6.5
97.06514	3.5
97.10148	0.8
98.08734	0.7
99.04451	1.6
105.07040	5.3
107.04961	1.3
107.08598	16.1
109.06522	27.2
109.10171	5.9
111.08111	1.4
113.09638	0.8
119.08572	5.6
121.06519	2.8
121.10159	14.1
123.08074	3.0
123.10832	0.8
123.11715	14.6
125.09627	1.6
127.07556	3.1
131.08574	3.8
133.10147	7.6
135.08038	5.9
135.11722	3.0
137.09637	1.9
138.40742	0.7
139.07520	0.8
145.10158	2.2
147.11742	2.3
149.06020	1.5
149.09613	3.2
149.13292	3.1
151.11166	2.4
153.09103	5.5
158.10901	0.9
161.13254	0.9
163.14801	3.2
167.14362	2.4
173.13284	5.5
177.05441	1.1
191.14319	24.3
194.00385	0.9
209.02731	1.1
209.15375	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	0.8
55.05269	1.0
55.05517	16.6
57.07076	0.8
59.05000	1.7
67.05502	2.5
69.03085	0.7
69.03430	2.4
69.07065	7.9
70.53228	2.3
71.05002	3.2
72.02507	0.6
79.05506	6.1
81.07072	4.5
83.04987	18.7
83.08623	9.4
85.06557	0.9
91.05479	5.6
91.42970	0.6
93.07051	26.9
95.04974	51.0
95.08605	4.7
97.06561	3.3
97.10181	1.5
99.04461	8.2
99.08072	0.8
105.07030	6.0
107.08598	28.8
109.06538	4.1
109.10168	5.1
111.08089	2.4
115.07653	1.0
119.08577	3.1
121.10151	100.0
123.08076	1.7
123.10809	0.6
123.11678	3.2
125.09625	3.8
131.08583	0.9
133.10143	4.1
135.08083	1.1
135.11697	3.7
139.11116	0.8
147.51872	0.7
149.06046	0.9
149.13249	2.2
151.11183	8.8
153.09125	10.7
163.14838	17.4
167.14337	13.1
173.13268	3.3
191.14334	10.4
209.15395	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.33724	1.6
53.03943	4.0
55.01867	4.7
55.05264	3.0
55.05513	41.0
57.03435	3.5
57.07077	2.9
58.71134	1.7
59.04989	2.5
65.03944	4.2
67.05516	11.7
69.03433	11.6
69.07066	9.4
70.88526	4.7
71.05012	8.4
72.08128	2.7
75.04478	2.4
79.05499	12.9
81.07067	19.4
83.04987	60.2
83.08211	2.2
83.08628	26.0
85.02908	2.6
85.06528	3.8
87.55660	1.5
91.05479	17.4
93.03404	4.3
93.07063	20.0
95.04974	100.0
95.08582	12.9
97.06536	14.0
97.10162	4.3
99.04458	17.9
99.08051	1.8
103.05485	4.0
105.07033	12.0
106.04189	11.1
107.04974	3.1
107.08600	32.1
109.06523	31.2
109.10165	20.9
111.04453	4.1
111.08076	10.5
117.06960	1.6
119.08611	6.9
121.06520	15.1
121.10163	23.4
123.08044	7.0
123.11684	8.0
125.05993	3.5
125.09619	14.4
131.04942	3.0
131.08574	9.8
133.10147	15.7
134.03651	1.9
135.08081	8.6
135.11707	6.8
137.05995	3.7
137.09631	2.4
139.07523	2.4
139.11186	2.1
143.08578	2.2
145.02821	2.4
145.10158	4.0
147.11728	4.5
148.05174	1.7
149.05998	15.9
149.09619	8.9
149.13257	10.0
151.10092	1.6
151.11185	25.1
152.04807	1.8
153.05521	1.8
153.09106	36.5
158.10876	3.1
161.64380	1.6
163.14868	6.8
167.07050	4.6
167.14328	41.8
173.13274	13.1
177.05530	9.7
191.07115	2.8
191.10730	2.1
191.14372	19.4
209.02675	2.2
209.04451	3.6
209.06332	2.0
209.08110	5.6
209.15388	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	1.8
55.01879	2.5
55.05511	51.9
57.03428	3.0
57.07069	1.4
59.04995	4.2
67.05502	7.8
69.03424	6.6
69.07067	8.7
71.04988	3.0
71.20058	2.5
79.05507	7.3
81.03428	1.3
81.07048	12.7
83.04981	67.2
83.08141	2.1
83.08615	26.7
85.06544	3.0
89.06017	3.2
91.05458	8.9
93.07047	29.1
95.04359	2.5
95.04970	44.9
95.08614	9.6
97.06539	5.8
97.10159	6.3
99.04457	7.8
100.36555	1.5
104.36867	1.2
105.07028	7.8
107.08591	38.4
108.85040	1.2
109.06528	13.5
109.10152	13.7
111.08075	8.4
113.09650	1.9
115.31309	1.3
119.08572	3.8
121.10145	100.0
123.08066	3.1
123.11682	9.4
125.09637	11.1
131.08519	2.0
131.40182	1.2
133.10158	6.4
135.08105	1.5
135.11684	4.9
145.10197	1.9
148.04727	2.9
149.13222	7.0
151.11180	23.9
153.09099	13.2
163.14832	19.9
167.14316	46.7
173.13249	6.3
179.57620	1.2
191.14337	9.7
194.02087	1.4
209.04395	2.1
209.13457	2.6
209.15373	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.91881	0.6
53.03950	6.9
55.01880	18.0
55.02141	1.0
55.05517	40.9
56.73118	0.6
57.03442	5.9
57.07093	2.5
58.23779	0.7
65.03947	3.3
67.05511	53.8
68.72314	0.8
69.03432	6.3
69.03770	0.8
69.07074	20.7
69.66211	2.1
69.66626	2.4
71.04999	7.1
73.02926	4.5
77.03950	1.0
79.05501	78.8
81.03428	8.8
81.07066	52.7
83.01342	1.6
83.04988	14.8
83.08624	22.4
85.06546	2.5
88.70368	0.8
91.05488	31.0
92.05805	1.2
93.03384	1.2
93.07053	100.0
94.07400	1.8
95.04977	24.0
95.08615	96.8
97.02908	8.4
97.06534	10.2
97.10174	1.5
99.04473	10.4
103.05479	3.4
105.04507	1.6
105.07040	21.9
106.04156	0.8
106.07348	0.9
107.04970	25.5
107.08604	64.9
108.08921	1.4
109.06528	7.2
109.10159	4.7
111.04440	4.0
111.08083	3.2
113.04235	1.0
113.06020	1.4
113.09697	0.9
115.05447	2.4
116.06237	1.5
117.06224	1.3
117.07029	24.4
119.05980	0.7
119.08591	18.0
121.06518	16.6
121.09322	1.4
121.10153	20.6
122.06918	0.7
123.08053	1.5
123.11676	1.8
125.05969	5.3
125.09596	1.6
128.06204	0.8
129.07014	1.0
130.07822	7.0
131.08572	1.8
133.10158	5.6
135.08096	6.0
135.11705	80.8
139.07506	3.3
143.08492	2.4
145.06404	1.1
145.10138	54.2
146.10408	0.7
147.11678	1.1
149.05910	2.4
149.13239	1.2
151.11125	1.1
153.09067	2.7
153.12685	1.6
163.11195	63.4
164.11508	1.3
166.43903	0.6
167.14238	2.5
173.09605	1.7
177.05446	2.4
179.08493	1.4
181.12247	4.1
191.10614	1.0
191.14250	1.6
194.10883	0.8
204.46727	0.7
209.04309	1.7
209.07800	1.2
209.09656	1.1
209.11508	1.1
209.13333	1.2
209.15331	5.3
210.57227	0.7
217.41757	0.7
227.12633	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	208.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03985	0.5
56.96591	0.8
58.99889	1.2
69.88928	1.5
69.89338	0.8
77.00933	1.1
81.03458	1.6
81.95143	0.6
82.94867	0.7
98.97620	1.5
100.02525	0.8
101.00906	1.1
103.00671	0.8
103.02505	0.6
108.04478	0.6
109.02914	1.6
113.00839	0.5
115.02453	1.1
116.02585	0.6
116.98656	1.4
119.01926	4.9
120.02029	2.0
121.01697	3.1
122.97701	0.8
123.97401	0.9
129.04008	1.4
131.01909	2.9
133.03502	1.5
134.03656	0.4
134.99698	0.7
137.02982	2.3
138.03123	0.6
139.02585	1.2
141.04004	0.7
142.03517	0.8
143.01894	0.6
143.03708	0.6
144.02145	0.7
144.03279	2.8
145.03473	0.9
147.05064	1.3
149.00894	1.0
149.02980	0.7
156.00330	0.7
156.79680	0.4
157.03493	8.4
159.01291	0.5
159.05048	1.5
160.04599	0.4
161.02975	1.6
161.04674	0.7
161.96153	0.5
162.03113	4.2
162.04315	1.0
162.95966	0.4
163.02684	0.6
166.96735	0.8
167.00491	0.8
167.01884	6.4
167.96396	0.5
173.02988	1.1
175.04552	1.9
177.00961	1.6
177.06097	0.7
180.04028	0.4
181.03638	0.5
184.04587	0.8
184.97742	1.3
185.02980	100.0
185.04605	4.4
185.06516	2.1
185.97414	0.8
186.03053	2.1
190.03471	2.6
199.04538	1.1
200.02390	0.5
203.02249	2.4
203.04022	26.5
203.05702	1.3
203.07657	1.3
204.04262	0.6
208.04567	25.9
209.04671	1.0
221.03207	0.6
221.05081	1.2
226.05606	3.4
226.09276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	(+)-trans-alpha-Irone
Peak:m/z	Relative Intensity
54.52065	1.7
55.05505	4.2
57.07080	2.4
67.05502	14.1
69.07064	6.3
71.04986	3.2
75.80273	1.7
79.05476	4.9
81.07059	20.9
82.06532	1.6
82.85282	1.6
83.08627	3.2
85.02927	1.9
91.05491	12.0
93.07055	22.8
95.04961	5.1
95.08606	34.8
97.06513	3.3
97.89043	1.5
100.10357	1.7
105.07041	20.4
107.08611	17.2
109.06524	5.6
109.10158	36.8
111.08060	5.6
119.04933	2.7
119.08581	28.6
121.10139	21.0
122.07158	1.6
123.04457	2.8
123.08062	9.9
123.11680	9.0
125.09637	1.7
129.07001	2.1
131.08490	1.8
133.10135	37.6
133.11703	1.7
134.10561	1.9
135.11699	13.8
137.09595	4.6
137.13266	2.9
137.80504	1.7
145.10120	1.9
147.04446	2.6
147.08041	2.3
147.11700	23.0
149.09599	7.0
149.13225	11.3
150.21727	1.6
151.07523	4.2
161.09572	2.1
161.13255	6.9
165.12753	2.0
171.11612	2.5
180.28523	2.1
189.12840	8.2
189.16376	50.3
190.16780	1.8
192.09380	8.8
207.06442	4.2
207.09760	7.2
207.11700	12.8
207.13829	17.7
207.17448	100.0
208.17711	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	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.65303	1.4
53.03928	2.1
53.73832	1.6
54.48710	1.7
55.05519	9.2
57.03431	4.3
57.07075	5.3
65.03937	2.1
67.05523	14.2
69.03425	2.7
69.07079	12.7
71.05013	3.3
72.76920	1.5
73.57285	1.5
79.05493	12.7
79.33811	1.7
81.06644	2.4
81.07065	26.9
83.08636	4.4
84.68829	2.0
85.02879	2.2
85.06534	4.5
91.05484	18.2
91.07268	1.6
93.06475	2.8
93.07050	40.3
95.04970	3.7
95.08615	33.9
95.76685	2.0
97.06547	2.2
97.10152	2.0
99.08127	2.3
101.08693	1.9
105.07043	30.1
107.08607	64.9
109.06511	5.0
109.10168	18.6
110.37646	1.8
111.08064	5.3
113.09673	1.9
115.96457	11.8
116.97232	4.6
117.07021	2.8
119.04944	3.2
119.08591	47.7
121.10149	17.5
123.08105	11.8
123.11714	11.3
127.07553	2.8
129.06978	2.0
131.08583	4.1
133.10147	46.7
133.97487	8.4
135.11708	100.0
137.06001	1.9
137.09633	12.9
145.10117	6.0
147.04449	2.5
147.08104	1.8
147.11702	36.8
149.09634	3.5
149.13268	11.7
151.07550	2.0
151.11162	16.0
156.99062	2.7
160.12492	2.0
161.09639	2.4
161.13287	9.4
163.14839	14.7
165.12764	4.7
184.00217	1.8
189.12758	5.0
189.16402	82.9
189.18138	3.9
190.16748	2.4
192.09351	4.8
198.83900	1.6
207.06544	5.8
207.09929	2.5
207.11687	8.1
207.13828	8.8
207.15533	4.1
207.17455	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	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.73586	1.7
52.13880	1.7
53.03934	2.4
55.05499	7.7
57.03424	4.3
57.07072	4.4
57.52169	1.9
59.05005	2.0
65.03956	1.8
67.05506	14.8
69.03420	2.7
69.07072	16.1
71.04984	4.5
71.56023	2.1
79.05501	10.2
81.07061	22.5
83.05001	4.1
83.08606	3.6
85.06528	6.1
91.05485	21.5
91.33192	1.7
93.06477	2.1
93.07047	36.6
95.04951	5.7
95.08616	32.7
97.14779	1.7
98.31313	2.0
105.07031	35.1
107.04897	1.7
107.08601	60.3
109.06512	6.2
109.10170	17.9
111.08077	4.8
115.96460	14.6
116.97223	5.5
117.07020	2.5
119.08584	47.2
121.10148	15.9
123.08074	9.6
123.11728	12.0
127.07581	2.6
131.08537	2.9
133.06549	2.6
133.10141	49.9
133.97469	6.5
135.11700	100.0
136.12003	2.0
137.09634	12.0
145.10107	3.1
147.04471	2.6
147.07974	3.3
147.11697	31.6
148.11839	1.8
149.09627	5.1
149.13263	13.0
151.07573	3.4
151.11198	14.1
156.99065	2.6
161.09631	2.3
161.13268	11.4
163.11198	2.4
163.14806	11.9
165.09128	2.0
165.12816	4.5
175.03922	2.8
189.12807	8.6
189.16394	81.9
189.18130	3.9
192.09340	9.2
207.06491	7.0
207.10051	3.2
207.11681	11.1
207.13834	14.5
207.17451	64.5
207.19397	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03941	4.1
53.51074	1.3
54.37633	1.2
55.01865	1.7
55.05519	7.1
57.03429	4.6
57.07059	5.6
59.05005	1.4
67.05507	14.6
68.05844	1.7
69.03422	2.3
69.07072	11.8
70.28304	5.0
71.04991	2.5
79.05496	15.9
81.03396	2.3
81.07064	24.4
81.85637	1.3
83.04987	2.9
83.08598	4.9
83.09054	1.6
85.06552	8.1
91.05483	30.6
93.07046	33.6
95.04961	6.3
95.08060	1.9
95.08617	31.1
97.06510	3.1
99.08068	1.7
103.05389	1.4
105.07040	37.7
107.08602	66.0
109.06512	6.2
109.10158	17.7
111.08060	4.3
115.96465	9.6
116.97246	3.6
117.06984	2.8
119.04990	3.4
119.08590	48.2
121.06509	2.1
121.10147	15.6
123.08057	10.6
123.11710	10.8
127.07526	2.1
128.06238	1.7
129.07011	1.7
131.08572	6.4
131.52223	1.3
133.10139	59.9
133.97472	5.6
135.11702	100.0
136.12033	4.4
137.09647	14.7
137.13194	2.0
145.10115	5.3
146.10835	2.1
147.04408	2.4
147.08099	1.9
147.11696	43.9
149.09619	7.3
149.13286	11.6
151.11183	15.8
157.10205	1.3
160.12537	2.0
161.09541	1.4
161.13246	8.6
161.45525	1.3
163.14830	13.5
165.12740	3.5
171.11667	2.3
174.13998	1.6
175.11156	4.0
184.00195	1.8
189.12761	4.7
189.16393	70.5
190.12274	1.4
190.16711	2.2
192.09312	5.9
203.60207	1.4
207.06497	4.5
207.11691	8.2
207.13835	14.8
207.17453	53.9
207.19426	3.0
208.17902	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01862	0.9
55.05513	2.7
56.56993	0.6
57.07068	1.5
62.31016	0.5
62.95171	0.6
65.03933	2.1
67.05506	5.4
69.03423	2.6
69.07059	2.6
71.28057	1.5
79.05503	3.8
81.07062	16.9
83.04975	1.3
85.02907	100.0
85.06546	1.0
87.04514	0.7
91.05487	18.6
93.07051	5.7
95.04970	2.4
95.08611	5.8
98.20772	0.6
103.05501	1.4
103.36371	0.6
105.07037	14.5
105.07689	1.2
107.04946	1.0
107.08598	6.7
109.06515	3.8
109.10159	15.9
111.04471	1.7
117.07018	2.1
118.04144	1.4
119.04949	13.0
119.08582	12.4
121.06552	1.2
121.10151	13.0
123.04515	0.9
123.08102	3.9
123.11711	64.2
125.05981	10.0
129.07010	0.9
130.07816	1.0
131.08569	4.1
132.02087	1.4
133.06470	1.5
133.10141	2.3
137.05948	0.9
139.07597	0.6
141.05457	1.5
141.06995	1.3
143.08603	1.6
145.06441	0.8
145.10152	5.2
146.03598	1.4
146.10847	1.0
147.04417	10.0
147.08047	5.5
147.11687	15.3
149.02339	2.4
149.09612	14.9
151.07524	4.6
156.09326	3.9
157.04010	1.0
160.08907	0.9
161.05965	1.5
161.09573	1.1
161.13242	3.6
163.11172	1.8
164.04720	1.1
165.12741	3.7
169.08652	1.1
171.11667	3.5
174.10428	1.7
175.03909	13.5
177.01982	0.7
179.07043	1.6
179.08929	1.1
179.14294	1.1
189.09081	0.9
189.12718	12.7
192.04199	4.0
207.04610	0.8
207.06538	10.0
207.08395	1.2
207.13808	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01858	1.4
55.05517	6.7
57.07070	3.0
59.04994	3.1
65.03932	3.3
67.05509	18.5
69.03418	4.3
69.07050	4.3
69.63673	3.3
69.64083	4.5
71.04990	2.8
79.05482	5.0
81.03414	2.1
81.07047	7.0
83.04967	3.5
85.02882	1.9
85.06529	5.0
89.69788	1.2
91.05477	16.1
93.07045	16.4
95.04971	5.7
95.08613	59.2
97.06510	1.4
98.20815	2.2
105.07037	26.7
107.04945	1.7
107.08602	17.8
109.06541	8.2
109.10107	4.4
111.08059	2.1
113.05996	4.4
117.07034	2.3
119.04974	8.5
119.08586	32.7
121.06481	6.2
121.10157	18.7
122.06019	2.5
123.08077	38.8
123.11729	6.9
129.07018	2.0
131.08571	4.7
133.06483	3.8
133.10109	11.1
135.08051	2.9
135.11687	3.8
137.09630	7.8
137.13269	2.5
145.10120	3.8
147.04385	5.4
147.08049	7.7
147.11693	20.8
149.02382	1.9
149.09627	100.0
151.07579	4.1
151.14810	2.0
156.09369	4.8
159.08055	3.9
159.11693	2.3
160.08755	2.6
161.09636	3.1
161.13264	41.4
163.11220	2.7
164.04631	2.1
165.09154	1.7
165.12769	11.1
171.11685	9.6
174.10442	6.9
175.03926	6.0
179.07040	2.5
179.14308	1.7
189.12756	38.8
192.04210	2.2
207.06612	6.7
207.13814	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	1.4
55.01856	1.4
55.05515	6.0
57.03425	2.1
57.07069	1.2
59.04996	3.5
60.27885	1.0
65.03927	3.6
67.05504	6.5
69.03429	5.5
69.07056	4.3
70.25313	0.8
71.04986	2.2
71.39693	1.2
72.08129	1.1
77.03940	1.5
79.05491	7.2
81.03421	1.7
81.07063	7.7
83.04964	3.7
85.02885	2.9
85.06548	1.0
89.03911	1.3
91.05482	24.2
93.07048	10.8
93.50094	1.0
95.04965	3.7
95.08610	11.5
97.06519	3.2
103.05471	1.4
105.07034	26.5
107.04955	2.0
107.08593	16.8
109.06527	9.3
109.10126	3.6
111.04478	0.8
111.08087	1.9
115.05447	0.9
117.07007	2.5
118.04181	0.9
119.04946	14.4
119.08585	26.6
121.02974	0.7
121.04001	0.8
121.06522	6.0
121.08376	1.8
121.10149	14.1
123.04425	1.3
123.08070	20.1
123.11705	3.5
129.07025	2.0
131.08553	4.9
132.02043	1.2
133.06499	5.0
133.10141	8.6
134.05952	1.0
135.08055	6.4
135.11671	2.9
136.05182	1.3
137.09624	10.4
137.13263	2.1
143.08551	3.3
145.10115	5.2
146.03726	1.7
147.04396	10.8
147.08063	7.8
147.11690	20.8
149.02321	2.8
149.09628	100.0
151.07573	5.2
153.09070	0.9
156.09334	5.4
159.08080	1.6
159.11758	2.1
160.08800	1.5
161.05971	2.5
161.09644	4.9
161.13269	17.6
162.05589	0.9
163.11188	3.9
164.04768	1.6
165.09085	1.6
165.12740	7.1
171.11694	7.4
174.03088	1.5
174.10408	3.1
175.03920	11.0
177.12839	1.9
179.07040	3.5
179.14288	1.0
189.09097	1.0
189.11061	1.9
189.12747	30.3
189.14430	1.9
192.04224	4.8
207.06512	12.6
207.13809	69.1
208.06021	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03944	2.4
55.01877	1.3
55.05497	4.7
56.52794	1.3
57.03447	2.1
65.03930	2.0
67.05492	5.0
69.03440	11.9
69.07083	6.9
70.06580	1.9
71.04999	7.0
71.06242	1.6
71.06562	2.1
79.05486	5.7
81.03418	9.1
81.07040	9.1
83.04975	3.9
83.08636	1.8
91.05485	28.1
93.07053	11.3
95.04970	4.0
95.08628	11.5
97.06512	4.3
97.98686	1.2
99.04454	6.6
105.07041	16.0
107.04944	1.5
107.08605	13.4
109.06504	7.3
109.10152	5.3
111.08036	1.6
117.07047	1.2
119.04938	16.9
119.08585	18.6
119.68755	1.2
121.06499	3.3
121.10157	13.6
122.06052	3.4
123.08060	8.4
123.11722	6.5
123.26067	1.3
124.34421	1.4
125.09608	1.9
128.06189	1.5
131.08556	4.8
132.02065	1.8
133.06483	2.5
133.10164	10.8
134.05997	1.4
135.08038	4.2
135.11673	4.4
137.05997	3.0
137.09602	10.3
137.13275	1.7
141.02156	1.2
143.08603	2.5
145.06523	1.5
145.10103	4.2
147.04413	12.8
147.08057	3.5
147.11702	19.7
149.02325	2.6
149.09627	100.0
151.07573	3.9
151.11159	3.3
156.09277	1.8
159.11699	4.1
161.06018	2.1
161.09674	2.5
161.13235	8.9
162.05548	2.3
163.11221	2.8
165.12778	9.4
171.11708	3.6
174.03096	2.1
174.10378	2.5
175.03891	12.0
175.14619	2.0
179.07065	3.3
179.14336	1.9
189.12753	19.8
192.04181	3.1
207.06439	9.4
207.13806	42.4
208.06041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.77309	1.0
55.05507	5.6
57.07067	4.9
58.52250	1.0
59.05001	1.4
59.53308	1.1
65.03934	2.1
67.05505	30.9
69.03414	5.0
69.07053	5.0
69.94833	5.7
71.04987	2.3
79.05500	6.1
81.03413	1.3
81.07059	7.6
83.04964	3.9
85.02905	3.9
85.06551	9.8
91.05486	16.7
93.07050	15.0
95.04965	3.6
95.08611	100.0
105.07036	21.2
107.04963	1.8
107.08602	20.7
109.06524	5.0
109.10165	5.4
113.06002	4.9
119.04939	5.6
119.08587	28.0
120.09410	1.6
121.06484	4.1
121.10149	17.3
123.04405	1.4
123.08073	55.5
123.11706	7.6
125.09647	2.4
131.08562	4.8
133.06473	2.3
133.10130	10.0
135.08035	3.3
135.11688	4.6
137.09625	4.1
139.07564	2.6
143.08536	1.7
145.10194	2.8
147.04416	4.1
147.08047	4.8
147.11691	17.3
149.09627	59.8
151.07568	2.5
151.14806	2.9
156.09378	3.4
159.08047	2.7
161.09604	1.5
161.13258	18.6
163.11131	2.1
165.09073	2.0
165.12770	12.7
171.11694	6.6
174.10419	4.2
175.03940	3.4
178.45166	1.2
179.14348	3.8
189.12761	21.4
207.06572	3.5
207.13818	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03947	0.8
55.05502	2.0
57.07087	1.5
65.03947	1.5
67.05511	5.3
69.03439	3.1
69.07061	2.2
71.28618	1.0
79.05478	3.8
81.07066	15.7
83.04971	1.4
85.02909	100.0
85.06564	1.1
86.03233	0.7
89.03913	1.0
91.05484	19.5
93.07053	5.6
95.04969	2.2
95.08631	4.4
103.05487	1.6
105.07037	14.3
107.08598	6.4
109.06541	3.3
109.10168	15.6
111.04469	2.0
114.49389	0.6
117.07012	2.0
118.04171	1.6
119.04952	13.2
119.08583	13.9
121.02887	1.0
121.06513	1.5
121.10148	10.9
123.04453	0.8
123.08097	3.4
123.11715	61.9
124.75525	0.7
125.05997	11.7
128.06180	0.8
129.07024	1.0
130.07823	1.2
131.08542	4.3
132.02078	1.0
133.06450	1.9
133.10149	2.7
135.08040	1.0
137.05966	0.9
137.09630	1.0
139.07550	1.3
141.05489	1.1
143.08577	1.8
145.10144	6.4
146.10944	1.0
147.04411	11.1
147.08051	3.7
147.11693	15.5
149.02356	2.2
149.09618	14.1
151.07527	4.6
156.09349	3.0
157.04002	1.5
161.05869	0.9
161.09595	1.4
161.13254	3.1
163.11201	1.4
164.04657	1.5
165.12724	2.5
171.11708	2.4
174.10428	1.7
175.03909	12.4
179.07036	1.5
179.08984	1.5
179.14299	0.7
189.09079	0.7
189.12758	11.0
192.04172	5.1
207.06567	8.2
207.08389	1.2
207.13817	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03951	7.0
55.01874	2.2
55.05518	7.8
57.03423	1.2
65.03948	1.7
67.05510	24.3
67.05872	1.5
69.07072	5.4
70.03759	3.9
71.04996	2.3
73.06567	0.9
77.03935	1.4
79.05499	43.8
81.03450	1.8
81.07063	21.3
83.04987	2.5
83.08623	2.9
85.06543	3.1
87.26435	0.7
91.05488	49.7
93.07050	100.0
95.04979	13.5
95.08618	7.3
97.06559	3.6
97.10198	1.2
100.47996	0.7
102.78529	0.7
105.04531	3.1
105.07037	25.8
107.04887	1.0
107.08602	8.9
109.06546	5.3
109.10118	1.1
115.05510	0.9
115.96508	0.8
117.07022	5.6
119.04946	0.8
119.08591	15.0
121.06547	1.6
121.10154	1.5
123.08057	4.2
127.07601	1.4
128.06212	1.4
129.07010	11.0
129.46771	0.9
131.08565	1.1
133.10126	5.9
143.08571	6.0
145.10124	8.7
147.08066	1.3
147.11700	52.1
161.09628	4.4
161.13263	9.4
162.65498	0.8
171.11711	20.1
189.12747	11.3
207.11852	0.8
207.13815	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.50833	0.8
51.02367	1.1
53.03954	7.4
55.01868	1.4
55.05514	7.4
65.03922	1.3
67.05511	26.2
69.07079	6.5
69.54100	2.4
69.54514	3.8
71.04977	1.3
77.03909	2.0
79.05501	51.9
81.03392	1.9
81.07064	20.1
83.04990	2.9
83.08612	2.1
85.06549	2.0
88.46676	0.9
91.05487	47.0
93.07051	100.0
95.04441	1.5
95.04986	15.3
95.08611	7.3
97.06564	2.1
97.10174	1.5
105.04509	2.3
105.07041	26.6
107.04977	1.1
107.08589	11.9
109.06506	3.4
117.07040	4.9
119.08598	17.1
121.06519	3.2
121.10179	2.5
123.08080	4.0
127.07581	1.6
128.06248	1.8
129.07018	9.9
131.08595	1.5
133.10132	5.1
136.44205	0.9
143.08569	5.8
145.10127	8.7
146.23521	0.9
147.08072	1.6
147.11700	57.7
152.56093	1.0
161.09622	3.7
161.13257	7.4
171.11710	21.6
189.12733	12.4
207.13809	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	5.2
55.01859	7.8
55.05518	13.2
57.03429	3.1
57.07065	3.3
59.04989	2.9
65.03925	5.1
67.05516	14.6
69.03443	10.3
69.07070	10.7
70.06605	2.2
70.99369	3.6
71.05007	17.4
72.08144	3.8
77.03912	2.8
79.05504	15.1
79.64965	1.6
81.03401	4.3
81.07063	18.4
83.04967	7.3
83.08613	4.0
85.02909	16.1
85.06533	2.5
89.03894	2.6
91.05482	64.2
93.07032	17.1
95.04970	15.5
95.08614	30.4
97.06521	6.4
99.04453	4.6
103.05456	2.8
105.06393	2.9
105.07039	42.6
107.04951	4.0
107.08599	41.3
109.06519	17.8
109.10165	13.3
111.08054	6.9
115.05438	2.2
117.07016	4.0
118.04141	6.6
119.04107	3.2
119.04943	51.5
119.08587	52.2
121.06494	6.5
121.10147	25.2
123.04417	3.5
123.08067	26.4
123.11729	20.2
125.05996	2.1
128.06238	2.1
129.06979	2.8
129.68385	1.8
131.08612	10.7
132.02074	3.7
133.06493	8.0
133.10153	19.2
134.09705	2.3
135.04398	2.8
135.08032	10.3
135.11690	6.6
137.05966	6.1
137.09613	35.8
137.13254	3.8
143.08543	7.9
145.06479	2.1
145.10124	12.2
146.03645	4.1
147.04407	39.9
147.08052	15.9
147.11688	55.0
149.02341	4.2
149.05992	2.1
149.09628	75.4
151.07541	12.9
151.11154	5.8
156.09392	12.0
157.03987	3.7
159.08044	2.6
159.11700	9.6
160.05170	2.2
160.08795	1.9
161.05986	5.8
161.09615	5.2
161.13258	38.6
163.03868	2.3
163.11200	7.7
164.04700	6.6
165.09184	2.9
165.12784	23.2
171.11679	16.8
174.03076	4.4
174.10393	7.3
175.03914	43.3
177.12674	2.4
179.07056	9.2
179.08630	1.8
179.14291	6.6
189.09105	5.9
189.12743	54.7
192.02971	1.5
192.04224	15.7
206.30699	1.6
207.06494	31.9
207.08211	2.7
207.10034	3.2
207.13802	100.0
208.05974	4.4
208.13327	3.4
210.74034	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03949	0.7
55.01859	1.1
55.05514	3.4
57.03442	0.8
57.07064	0.8
65.03941	1.0
67.05497	2.8
69.03437	8.3
69.07085	5.0
71.04998	5.4
71.06396	1.3
72.60360	0.5
79.05498	3.8
81.03426	3.4
81.07063	5.7
83.04993	1.9
83.08642	0.6
85.02918	0.6
85.06516	0.6
91.05486	10.2
93.07055	7.4
95.04993	2.2
95.08610	6.8
97.06030	0.7
97.06544	3.9
99.04474	2.5
103.05472	0.5
105.07038	9.7
107.08604	8.5
108.05779	0.5
109.06547	4.7
109.10152	2.9
111.04377	0.6
111.08091	2.9
116.06275	0.6
117.07049	0.8
119.04951	4.7
119.08587	11.3
119.09364	0.9
121.06516	2.4
121.10136	6.9
123.04433	0.5
123.08072	4.1
123.11717	3.0
129.07010	1.0
131.08569	2.3
133.06509	1.4
133.10139	6.2
135.08075	2.8
135.11691	3.9
137.06001	0.9
137.09627	7.9
139.86722	0.6
143.08505	0.6
145.10141	2.5
147.04440	3.7
147.08060	2.4
147.11691	15.0
147.12791	1.1
149.09630	100.0
150.10097	0.7
151.07565	1.7
151.11176	2.2
156.09373	2.0
159.08064	0.8
159.11716	1.8
161.06012	1.5
161.09615	1.3
161.13263	6.0
163.11183	1.3
165.09183	0.7
165.12779	4.6
171.11673	3.0
174.10379	1.7
175.03873	3.6
179.07071	1.0
179.14343	1.2
189.12782	8.2
192.02362	0.6
192.04099	0.9
207.04871	0.7
207.06448	3.3
207.13808	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	207.1016
Annotation	2,2-Dimethyl-6-methoxy-4-chromanone
Peak:m/z	Relative Intensity
51.02378	0.4
53.03938	1.5
55.01862	1.8
55.05497	1.4
56.96565	1.0
57.07063	1.2
65.03934	3.1
67.05182	0.5
67.05509	9.1
68.99796	0.6
69.03419	1.1
69.07064	0.8
71.04988	0.8
71.08630	0.6
71.55298	0.5
77.00630	1.9
77.03937	1.2
79.05495	3.8
81.03421	0.9
81.07066	3.6
83.04964	1.0
83.08599	0.7
84.99261	0.8
85.02898	0.6
90.04720	0.4
91.05486	13.1
93.03411	0.6
93.07045	4.7
95.04977	7.7
95.08609	3.2
97.02927	0.5
97.06528	0.7
103.05466	1.6
105.03408	2.1
105.07040	5.3
106.04167	0.4
107.04971	1.0
107.08579	2.7
109.06554	2.2
109.10184	0.9
111.04465	0.9
111.08044	0.4
113.02389	0.4
115.05437	0.5
115.96409	0.6
117.07023	1.1
118.04155	1.5
119.04951	12.2
119.08588	3.3
121.02866	0.8
121.06512	2.9
121.10139	1.5
123.04443	8.1
123.08112	2.2
123.11707	1.0
127.03893	0.4
128.06201	1.7
129.07036	0.7
131.08582	0.7
133.02844	0.5
133.06480	1.7
133.10124	3.7
135.04390	0.7
135.11729	0.6
136.05179	2.8
137.05974	4.1
137.09630	0.9
139.03923	0.5
143.08559	2.7
145.10139	0.7
146.03693	2.3
146.54266	0.4
147.04425	11.8
147.08066	1.4
147.11691	3.0
149.02361	5.5
149.05965	2.2
149.09624	1.4
151.03909	41.8
151.07539	4.7
152.04665	0.5
153.05486	2.8
161.01210	0.9
161.06006	1.4
161.09624	4.7
161.13268	1.4
162.03088	0.5
163.03879	2.4
164.04698	8.9
165.05486	37.6
165.12744	0.6
169.04979	11.9
171.08057	1.4
171.11649	1.1
174.03127	2.1
174.06796	0.8
175.03902	2.5
176.08257	0.8
177.05453	1.6
179.07056	8.0
179.10660	1.3
183.04576	0.4
183.06474	0.8
189.05504	0.8
189.09128	9.1
189.12692	2.3
189.16425	0.6
192.04185	4.1
192.09369	0.9
192.31429	0.5
207.06633	20.1
207.10172	100.0
207.13857	4.0
208.10474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1017
Annotation	2,2-Dimethyl-6-methoxy-4-chromanone
Peak:m/z	Relative Intensity
53.03942	1.2
55.01873	1.7
55.05508	1.1
57.03435	0.7
57.07063	0.4
63.68703	0.3
65.03950	2.2
67.05509	9.4
68.99793	0.3
69.03432	1.4
69.07054	1.2
71.04969	0.3
77.03915	1.1
79.05499	3.9
80.95035	0.3
81.03413	0.8
81.07064	4.0
83.04989	0.9
84.99260	0.7
85.02920	0.9
88.19388	0.3
91.05488	12.1
93.03400	0.4
93.07050	4.6
95.04978	7.8
95.08617	2.5
97.02897	0.3
97.06529	0.6
100.71817	0.3
103.05452	1.0
105.03365	1.9
105.04504	0.4
105.07030	5.8
106.04195	0.4
107.04967	0.8
107.08624	2.4
108.05706	0.8
109.02869	0.4
109.06505	2.2
109.10143	1.0
115.05435	0.7
115.96432	0.9
116.97245	0.6
117.07019	0.7
118.04161	0.8
119.04955	7.4
119.08584	2.9
121.02856	0.5
121.06529	2.2
121.10154	1.2
123.04431	7.3
123.08052	1.6
123.11714	0.6
125.05972	0.4
128.06235	1.1
129.07042	0.5
130.60139	0.3
131.08540	0.7
133.02858	1.2
133.06485	1.3
133.10149	3.2
133.97473	0.5
134.03644	0.3
135.04437	0.7
135.08051	0.4
136.05228	1.7
137.05994	4.2
137.09653	0.7
139.03957	0.6
143.08585	3.1
145.10124	0.9
146.03633	1.7
146.07260	0.6
147.04420	9.3
147.08052	1.6
147.11705	3.6
148.05136	0.3
149.02356	3.8
149.06032	1.6
149.09633	1.0
151.03915	44.7
151.07518	3.7
153.05502	2.4
161.05940	1.3
161.09642	4.4
161.13277	1.7
163.03911	1.3
163.11267	0.3
164.04713	5.3
165.05489	37.0
165.09158	0.9
165.12746	0.5
169.04968	12.5
169.79146	0.3
171.08047	1.3
171.11716	1.1
174.03146	1.8
174.06755	1.1
175.03928	2.0
176.08295	0.7
177.05502	0.9
178.06276	0.4
179.07066	4.9
179.08545	0.7
179.10666	1.8
183.06480	0.7
186.12502	0.3
189.09126	9.0
189.12747	2.3
189.16374	0.5
191.03423	0.3
192.04173	2.7
192.07787	0.4
192.09372	0.7
195.61908	0.3
207.06731	13.0
207.10173	100.0
207.13654	2.8
208.10480	0.9
227.39711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03938	1.5
55.01862	1.8
55.05497	1.4
56.96565	1.0
57.07063	1.2
65.03934	3.1
67.05182	0.5
67.05509	9.1
68.99796	0.6
69.03419	1.1
69.07064	0.8
71.04988	0.8
71.08630	0.6
71.55298	0.5
77.00630	1.9
77.03937	1.2
79.05495	3.8
81.03421	0.9
81.07066	3.6
83.04964	1.0
83.08599	0.7
84.99261	0.8
85.02898	0.6
90.04720	0.4
91.05486	13.1
93.03411	0.6
93.07045	4.7
95.04977	7.7
95.08609	3.2
97.02927	0.5
97.06528	0.7
103.05466	1.6
105.03408	2.1
105.07040	5.3
106.04167	0.4
107.04971	1.0
107.08579	2.7
109.06554	2.2
109.10184	0.9
111.04465	0.9
111.08044	0.4
113.02389	0.4
115.05437	0.5
115.96409	0.6
117.07023	1.1
118.04155	1.5
119.04951	12.2
119.08588	3.3
121.02866	0.8
121.06512	2.9
121.10139	1.5
123.04443	8.1
123.08112	2.2
123.11707	1.0
127.03893	0.4
128.06201	1.7
129.07036	0.7
131.08582	0.7
133.02844	0.5
133.06480	1.7
133.10124	3.7
135.04390	0.7
135.11729	0.6
136.05179	2.8
137.05974	4.1
137.09630	0.9
139.03923	0.5
143.08559	2.7
145.10139	0.7
146.03693	2.3
146.54266	0.4
147.04425	11.8
147.08066	1.4
147.11691	3.0
149.02361	5.5
149.05965	2.2
149.09624	1.4
151.03909	41.8
151.07539	4.7
152.04665	0.5
153.05486	2.8
161.01210	0.9
161.06006	1.4
161.09624	4.7
161.13268	1.4
162.03088	0.5
163.03879	2.4
164.04698	8.9
165.05486	37.6
165.12744	0.6
169.04979	11.9
171.08057	1.4
171.11649	1.1
174.03127	2.1
174.06796	0.8
175.03902	2.5
176.08257	0.8
177.05453	1.6
179.07056	8.0
179.10660	1.3
183.04576	0.4
183.06474	0.8
189.05504	0.8
189.09128	9.1
189.12692	2.3
189.16425	0.6
192.04185	4.1
192.09369	0.9
192.31429	0.5
207.06633	20.1
207.10172	100.0
207.13857	4.0
208.10474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
50.01622	0.7
51.02386	1.5
53.03950	1.5
55.01876	1.3
55.05502	0.9
63.02369	1.3
65.03941	8.4
67.05521	3.3
69.03439	1.5
69.38438	5.2
71.04994	1.3
74.44701	0.7
76.03135	1.1
77.03922	2.7
78.04716	1.0
79.05499	4.2
80.06280	0.8
81.03409	1.0
81.07050	4.0
83.04990	1.4
85.02866	1.0
89.03914	5.6
90.04697	1.2
91.05484	100.0
93.07052	3.0
95.04983	3.3
95.08625	3.3
96.51460	0.6
97.06549	0.8
101.03915	0.8
103.05466	4.2
104.02615	1.6
105.03410	2.6
105.07042	6.1
106.04144	1.0
107.04933	3.3
107.08592	3.0
108.05730	1.7
109.06502	1.9
109.10163	3.0
115.05449	1.9
117.03365	1.1
117.07006	1.4
118.04140	5.8
119.04949	97.7
119.08552	5.2
121.02886	1.9
121.06522	4.3
121.10128	2.3
123.04466	1.3
123.08078	2.9
123.11722	1.2
129.03365	3.8
129.04388	1.3
131.04930	2.2
131.08595	1.3
132.02069	7.3
133.02855	1.4
133.06496	8.2
133.10126	3.0
134.03593	1.2
135.04433	4.2
135.11678	0.8
136.05244	5.0
137.05952	1.6
139.07581	0.8
143.08464	0.7
145.02849	2.3
145.06502	1.3
145.10184	0.8
146.03642	4.0
146.07243	0.7
147.04416	73.7
147.08012	3.0
147.11694	4.4
148.04883	1.1
149.02347	11.1
149.05962	4.2
149.09633	4.3
150.03157	1.2
151.07544	8.4
151.11119	0.8
157.03993	8.7
160.05240	0.8
160.40607	0.6
161.05991	21.1
161.09596	1.4
161.13280	3.3
162.03192	1.3
163.03909	2.9
163.07512	2.0
164.04695	10.3
165.12827	1.8
171.11743	1.2
174.03133	4.2
175.03912	87.4
175.07365	3.5
176.08334	49.7
177.01666	1.2
177.05528	3.3
177.08989	2.6
179.07034	13.0
179.10600	1.1
189.09148	1.0
189.12823	3.8
189.14230	0.6
189.16438	1.5
192.04184	9.8
192.07854	5.0
207.06538	44.2
207.10120	22.0
207.12062	1.3
207.13689	6.9
207.17531	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	206.1024
Annotation	Casuarine
Peak:m/z	Relative Intensity
53.03925	1.5
55.01880	6.7
55.05519	2.5
56.04794	1.4
56.05038	20.1
56.96555	4.7
57.03445	14.6
57.07047	1.4
58.02951	2.1
58.06350	1.6
58.06607	22.2
59.04986	3.9
60.04533	11.9
61.02934	15.4
62.44117	1.1
67.04234	1.1
67.05469	1.0
68.04727	1.3
68.05039	13.8
69.03435	15.4
69.07059	3.7
69.27781	6.4
69.28197	3.5
70.03786	1.2
70.06608	7.0
71.01334	1.3
71.04993	6.1
72.04505	2.1
72.08154	3.6
72.16911	1.0
73.02924	7.3
73.08476	2.2
74.02425	3.4
74.06081	2.6
76.07633	3.7
79.05479	1.8
80.05042	6.7
81.03423	8.6
81.07071	1.6
82.06583	9.2
83.04955	2.1
83.06920	2.7
83.07352	2.3
84.04514	100.0
84.08137	3.1
85.02915	37.2
85.06551	1.9
85.08473	2.6
86.02421	3.7
86.03699	2.3
86.06055	2.8
87.04456	2.6
88.02229	1.5
88.03966	2.2
90.05558	2.5
94.06609	1.0
95.01344	1.7
96.04504	5.3
96.08141	92.0
97.02897	11.0
97.50831	1.0
98.06087	5.4
98.97584	1.5
99.04452	5.0
100.03950	3.5
100.07628	2.5
101.00858	2.2
101.02383	2.4
101.04259	1.2
102.05573	6.8
103.00636	2.1
103.03952	4.0
107.04902	1.3
108.04438	1.9
109.02857	2.9
110.01363	1.7
110.06065	8.0
110.07162	2.9
111.04463	1.5
113.02374	2.0
114.03773	7.8
114.05543	6.8
114.09112	1.6
115.03966	2.7
116.05335	1.4
116.98556	1.3
117.02026	1.2
117.05473	1.3
118.04980	1.6
119.01929	7.4
120.02057	3.8
121.01641	3.7
122.02337	1.2
122.05994	3.8
124.07608	57.7
124.61502	1.2
125.07932	1.7
126.05537	2.7
127.03933	4.0
128.02333	2.6
128.03336	2.3
128.07069	5.9
129.01886	1.6
130.05043	1.8
131.01889	3.7
131.08836	1.0
132.06625	1.3
133.01662	2.3
133.03461	2.7
134.03560	2.6
134.06004	1.8
139.37674	1.2
140.07031	2.5
142.03227	1.3
142.04959	5.0
142.08646	71.1
142.10435	2.8
143.01826	1.4
143.03442	1.2
143.05293	1.4
143.08955	1.2
144.06540	2.3
145.03409	2.0
145.05112	1.6
146.03554	1.3
146.08138	4.7
147.04883	1.5
149.08360	1.7
150.02689	3.6
152.07002	3.6
157.01396	2.1
157.03381	1.3
160.04262	15.9
160.06059	3.4
160.07668	2.6
160.09712	59.2
161.02917	3.2
161.09023	2.1
163.02666	1.4
164.09224	2.1
165.00356	1.4
170.08151	61.2
170.54543	1.1
171.01372	3.5
173.01259	1.4
173.02856	1.5
175.02544	1.9
178.05014	8.2
180.04974	1.4
182.99696	1.2
183.01373	1.4
188.03677	1.3
188.07498	2.5
188.09196	36.3
188.10902	2.0
201.00703	2.2
201.02428	8.8
201.04265	1.8
206.04591	4.0
206.06566	2.0
206.08441	3.9
206.10229	58.1
219.03433	1.5
224.04239	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	206.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01880	6.7
55.05519	2.5
56.04794	1.4
56.05038	20.1
56.96555	4.7
57.03445	14.6
57.07047	1.4
58.02951	2.1
58.06350	1.6
58.06607	22.2
59.04986	3.9
60.04533	11.9
61.02934	15.4
62.44117	1.1
67.04234	1.1
67.05469	1.0
68.04727	1.3
68.05039	13.8
69.03435	15.4
69.07059	3.7
69.27781	6.4
69.28197	3.5
70.03786	1.2
70.06608	7.0
71.01334	1.3
71.04993	6.1
72.04505	2.1
72.08154	3.6
72.16911	1.0
73.02924	7.3
73.08476	2.2
74.02425	3.4
74.06081	2.6
76.07633	3.7
79.05479	1.8
80.05042	6.7
81.03423	8.6
81.07071	1.6
82.06583	9.2
83.04955	2.1
83.06920	2.7
83.07352	2.3
84.04514	100.0
84.08137	3.1
85.02915	37.2
85.06551	1.9
85.08473	2.6
86.02421	3.7
86.03699	2.3
86.06055	2.8
87.04456	2.6
88.02229	1.5
88.03966	2.2
90.05558	2.5
94.06609	1.0
95.01344	1.7
96.04504	5.3
96.08141	92.0
97.02897	11.0
97.50831	1.0
98.06087	5.4
98.97584	1.5
99.04452	5.0
100.03950	3.5
100.07628	2.5
101.00858	2.2
101.02383	2.4
101.04259	1.2
102.05573	6.8
103.00636	2.1
103.03952	4.0
107.04902	1.3
108.04438	1.9
109.02857	2.9
110.01363	1.7
110.06065	8.0
110.07162	2.9
111.04463	1.5
113.02374	2.0
114.03773	7.8
114.05543	6.8
114.09112	1.6
115.03966	2.7
116.05335	1.4
116.98556	1.3
117.02026	1.2
117.05473	1.3
118.04980	1.6
119.01929	7.4
120.02057	3.8
121.01641	3.7
122.02337	1.2
122.05994	3.8
124.07608	57.7
124.61502	1.2
125.07932	1.7
126.05537	2.7
127.03933	4.0
128.02333	2.6
128.03336	2.3
128.07069	5.9
129.01886	1.6
130.05043	1.8
131.01889	3.7
131.08836	1.0
132.06625	1.3
133.01662	2.3
133.03461	2.7
134.03560	2.6
134.06004	1.8
139.37674	1.2
140.07031	2.5
142.03227	1.3
142.04959	5.0
142.08646	71.1
142.10435	2.8
143.01826	1.4
143.03442	1.2
143.05293	1.4
143.08955	1.2
144.06540	2.3
145.03409	2.0
145.05112	1.6
146.03554	1.3
146.08138	4.7
147.04883	1.5
149.08360	1.7
150.02689	3.6
152.07002	3.6
157.01396	2.1
157.03381	1.3
160.04262	15.9
160.06059	3.4
160.07668	2.6
160.09712	59.2
161.02917	3.2
161.09023	2.1
163.02666	1.4
164.09224	2.1
165.00356	1.4
170.08151	61.2
170.54543	1.1
171.01372	3.5
173.01259	1.4
173.02856	1.5
175.02544	1.9
178.05014	8.2
180.04974	1.4
182.99696	1.2
183.01373	1.4
188.03677	1.3
188.07498	2.5
188.09196	36.3
188.10902	2.0
201.00703	2.2
201.02428	8.8
201.04265	1.8
206.04591	4.0
206.06566	2.0
206.08441	3.9
206.10229	58.1
219.03433	1.5
224.04239	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	206.0449
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
69.89694	0.3
69.90112	0.8
70.06596	1.5
72.08157	2.0
73.08498	0.7
73.22491	0.2
80.93433	0.2
81.03417	0.2
84.08170	0.3
86.09714	0.2
90.05530	0.2
95.04943	0.4
98.20783	0.2
104.05009	0.4
105.03407	0.7
108.04507	0.2
132.04456	12.4
134.09700	0.3
135.10042	0.4
144.10208	0.3
145.44482	0.2
147.04382	0.3
150.02711	0.4
150.05508	1.2
160.04015	0.7
160.09674	0.2
178.05000	100.0
179.05342	0.9
188.09171	0.4
189.10234	0.5
197.16887	0.2
206.04494	41.1
206.13199	0.4
207.04837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	4.1
58.99879	1.2
69.82033	3.1
69.82446	1.5
77.00895	1.8
78.95279	2.4
80.94966	2.2
81.03400	1.4
82.01469	1.3
82.99852	1.1
83.42628	0.9
98.20782	0.9
98.97591	1.4
100.02470	3.8
101.00881	14.4
101.02585	2.9
102.00981	2.5
102.02275	1.1
103.00650	5.7
103.02479	1.0
115.02399	1.9
116.05329	2.2
116.98638	1.4
118.03526	2.5
118.15981	0.9
119.01925	100.0
119.97903	1.0
120.02008	16.1
121.01668	28.9
121.97573	3.0
122.02008	1.3
124.02419	4.4
124.93874	1.0
126.02255	1.1
131.01904	1.7
133.03479	2.4
134.99686	2.3
137.02962	41.4
138.03076	6.9
139.02696	14.8
140.03050	1.2
141.05054	1.3
142.03503	88.8
142.94946	1.4
143.01906	1.9
143.03639	11.3
144.03227	19.8
145.03535	1.7
150.02608	1.5
154.03476	1.8
155.01913	2.1
158.96231	1.1
159.04968	1.1
159.06151	1.5
160.04556	40.1
160.95970	2.0
160.99710	0.9
161.03011	8.2
161.04626	4.5
162.04276	7.7
164.97188	1.6
165.05118	4.3
165.96584	1.7
172.04504	1.0
173.01242	1.9
173.48560	1.6
175.04466	1.3
177.00955	10.6
178.01093	4.7
178.08598	1.0
179.00699	17.1
179.04031	1.5
179.98680	3.5
180.00790	1.9
180.05220	1.4
180.48634	1.2
181.97786	1.0
182.02977	3.2
182.48985	1.8
182.98198	1.5
182.99677	3.9
183.01398	6.7
183.03165	2.4
183.04861	1.8
183.06299	4.1
183.97644	4.0
184.04584	6.6
188.99188	12.9
189.49226	5.9
189.99059	1.2
191.14246	1.3
191.49440	11.8
191.99567	3.7
192.49399	1.4
197.99706	2.5
198.05975	0.9
200.49966	37.4
201.00432	17.1
201.02458	40.4
201.04208	2.4
201.05975	1.9
201.09744	2.0
201.49901	5.2
202.02640	1.3
202.05586	1.2
203.00249	1.9
206.03058	1.5
206.04733	1.5
206.08197	1.2
207.50824	1.5
208.00793	1.3
210.00597	0.9
212.00870	3.9
212.50728	2.0
216.95293	2.0
219.01695	3.6
219.03531	17.7
219.10771	1.8
224.02255	1.3
224.04070	7.5
224.05907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03942	3.0
55.05515	9.4
56.96566	1.8
57.07079	18.4
60.04527	1.9
65.03935	9.3
67.05509	19.5
69.03426	3.5
69.07073	15.6
71.04998	3.7
71.56191	1.6
72.08156	13.9
72.93781	1.8
79.05495	23.9
81.03422	4.8
81.07059	53.9
83.04998	12.5
83.08632	4.6
85.02888	2.1
86.11913	1.8
90.11894	1.6
91.05486	28.5
93.03394	2.1
93.07052	31.8
93.73209	1.5
95.04967	5.8
95.08615	31.7
97.02885	10.4
99.08090	1.8
103.05464	4.1
105.07037	51.5
107.04974	4.9
107.08604	30.1
109.02876	4.1
109.06522	3.8
109.10146	11.4
111.04481	1.4
111.08077	2.4
113.96430	2.5
115.05488	2.8
116.06232	1.9
117.07029	18.4
119.08578	33.5
121.02876	13.2
121.03967	2.0
121.06528	9.8
121.10149	23.4
122.03206	1.5
123.08087	4.3
123.11707	34.6
127.03850	1.9
129.07030	3.0
131.04907	2.6
131.08574	35.9
131.97446	2.0
133.09225	2.3
133.10135	21.7
134.09637	2.8
135.04564	1.5
135.08058	6.8
135.11688	9.7
143.08566	6.2
144.09328	2.0
145.10132	60.9
145.11302	3.5
147.08113	1.5
147.11708	15.0
149.02351	100.0
149.09654	2.8
149.12332	1.6
149.13312	6.8
150.02693	1.7
157.10129	3.7
158.10919	3.5
159.08046	5.6
159.11691	17.7
161.13260	6.0
162.10367	2.4
163.03865	2.1
163.07524	3.1
163.11203	7.2
163.14856	2.2
168.33076	1.6
172.12477	1.7
173.13306	15.8
174.14085	1.4
175.14827	35.9
177.05502	1.9
177.12820	9.0
177.16396	10.0
181.97910	2.3
187.07573	3.3
187.11229	6.7
187.14828	34.5
205.04887	2.9
205.08646	6.7
205.10364	2.1
205.12476	19.9
205.14240	8.4
205.15912	77.9
205.19514	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	205.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36594	0.3
53.00303	0.3
53.03949	2.1
55.01874	1.0
55.05512	100.0
56.05844	0.7
57.03435	0.3
57.07074	2.5
58.04114	0.3
58.99586	8.5
60.04530	1.2
61.04855	0.4
65.03944	1.2
67.05507	1.3
69.03429	1.7
69.07051	0.4
69.68547	0.8
69.68957	0.7
70.06581	0.5
71.05013	0.4
72.08157	8.0
78.95287	0.5
79.05485	1.5
81.03420	0.9
81.07068	0.9
83.04983	0.6
83.08620	82.3
84.04477	0.3
84.08142	0.3
84.08958	0.5
85.02900	2.2
86.99055	7.8
91.05482	2.5
93.03384	0.3
93.07034	1.4
95.04990	0.9
95.08625	0.5
96.05029	0.3
97.02894	1.6
98.20781	0.3
98.97615	0.3
99.04482	0.6
101.09657	2.1
103.05459	1.1
104.91766	0.3
105.00095	5.9
105.07036	3.5
107.04974	0.8
107.08591	2.0
108.05704	0.3
109.02888	0.9
109.06516	0.7
111.04429	0.5
115.05417	1.6
117.07013	2.1
118.06561	0.7
119.04958	0.4
119.08582	1.8
120.08116	0.3
121.02862	2.9
121.06529	2.5
121.10152	1.1
123.08047	0.3
127.03918	0.7
129.06995	0.5
130.07744	0.4
131.04950	1.7
131.08559	2.5
133.06480	3.9
133.10118	0.7
134.09697	1.4
135.08034	0.8
135.11691	0.7
141.80751	0.3
143.08521	0.4
144.05753	0.4
144.09343	0.4
145.06502	2.5
145.07544	0.5
145.10121	2.3
146.06015	1.8
146.08391	0.4
147.04510	0.7
147.08066	1.6
147.11780	0.7
149.02344	18.8
149.06023	1.4
149.09627	0.5
150.02684	0.3
159.04370	1.4
159.08070	1.8
159.11691	2.6
161.05984	3.8
161.09637	1.0
163.03926	0.7
163.07549	2.1
163.11180	1.5
163.96770	0.4
171.05566	0.5
173.05968	0.8
175.07579	1.1
176.04796	0.2
177.05453	1.3
177.09087	1.6
177.12750	1.2
178.04936	0.4
178.08554	0.4
181.97873	0.6
187.03900	1.0
187.07547	1.0
187.11160	1.0
188.07104	1.5
190.09914	0.7
205.04942	1.8
205.06702	0.6
205.08664	2.1
205.12238	10.3
205.14064	1.0
205.15903	0.9
206.04657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01880	7.3
55.05268	2.1
55.05516	35.6
56.05037	2.5
56.36460	1.2
57.03429	2.7
57.07067	5.7
57.98454	1.2
58.99591	71.6
60.04217	1.7
60.04527	30.2
61.01160	8.9
62.00677	1.8
68.05022	4.1
69.03413	1.6
69.07064	4.6
70.06599	3.9
72.08173	3.0
73.01149	18.9
73.02939	1.9
73.40686	1.3
74.00660	5.2
75.67742	1.4
76.02232	20.5
79.05499	11.7
81.03419	1.6
81.07059	64.5
82.06607	1.9
82.07391	2.1
83.08621	14.4
84.04507	9.4
84.08155	1.6
85.01124	2.8
85.02905	3.0
86.99057	39.6
87.02693	2.5
88.02217	5.0
88.03999	5.1
91.05476	5.3
93.07040	6.6
95.08599	3.1
96.04501	5.8
97.02911	5.9
99.02689	2.5
99.04462	1.6
100.11262	100.0
105.00097	16.7
105.07036	4.8
106.07359	3.7
107.08606	3.5
108.85714	1.3
112.11247	3.1
114.05534	5.0
115.05813	18.8
116.05320	7.0
117.07056	2.4
119.08582	2.5
120.01163	3.3
120.08092	2.6
120.08922	3.5
121.06512	15.2
124.11217	2.5
126.05528	9.5
127.03920	1.5
129.06570	2.6
130.06497	1.8
131.08595	2.4
133.06516	2.7
134.10478	3.3
138.33580	1.4
141.07347	9.9
144.04445	2.3
144.08937	3.1
145.06500	1.8
145.10197	2.4
146.10509	2.4
148.12016	2.8
149.02359	5.1
158.05975	1.7
158.09982	37.6
159.04431	1.6
160.07501	2.1
161.05914	3.1
162.05431	2.2
162.08154	2.8
162.13692	1.7
163.03976	2.7
167.11273	1.7
171.11293	1.4
172.03951	5.0
172.08412	1.9
175.07333	1.8
177.05499	1.7
187.07889	72.0
188.10637	2.0
189.08772	1.9
189.11458	3.0
204.06520	3.3
204.08662	7.0
204.10524	43.8
204.13748	26.6
204.18021	2.6
204.19798	2.8
205.04890	2.2
205.08673	2.1
205.12312	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	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03948	1.8
55.05516	10.2
57.07073	2.7
59.18316	1.0
60.04526	1.2
65.64581	1.0
67.05510	18.8
69.06731	1.2
69.07075	19.0
69.72894	2.2
69.73315	3.4
76.70038	0.9
79.05498	14.4
81.07064	52.1
83.08622	5.6
86.88202	1.0
91.05480	24.1
93.07054	20.1
95.08616	43.3
97.10160	1.1
103.05478	1.1
105.07038	67.6
107.08598	23.0
109.10162	33.0
110.79524	0.9
115.05504	1.9
117.07014	4.5
119.08591	51.5
120.88373	1.0
121.10160	17.9
123.11725	8.5
128.06244	2.2
129.06958	1.1
131.08556	6.0
133.10139	44.1
135.11740	5.5
142.07770	2.0
143.08562	1.9
145.10132	11.1
147.08017	2.3
147.11697	99.8
148.12175	1.3
157.10156	2.0
159.11745	4.6
160.05272	1.5
160.12482	6.5
161.09674	1.4
161.13278	27.2
173.13257	1.3
174.14055	1.5
175.07555	4.3
175.11166	1.3
175.14822	5.8
178.52173	1.0
181.38277	1.0
185.13322	2.1
203.06987	6.7
203.10657	5.9
203.14410	10.0
203.17969	100.0
204.18298	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	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05304	1.0
55.05519	10.7
57.07084	4.9
57.95653	1.0
60.04523	2.1
60.31570	1.0
67.05170	1.7
67.05509	16.9
69.07072	15.1
79.05499	10.8
81.07066	32.4
83.08633	5.5
84.04498	1.6
91.05490	23.7
93.07053	15.5
95.04961	0.9
95.08617	47.4
96.04456	1.6
97.10175	1.3
98.21507	3.3
105.07042	100.0
107.08609	25.6
109.06537	1.0
109.09585	1.0
109.10162	32.8
117.07013	4.0
119.08591	50.8
121.10148	17.5
123.11726	5.7
126.05509	3.4
128.06160	1.2
131.08537	4.9
133.10139	49.6
135.11696	6.9
143.08548	1.4
145.10162	6.4
147.11699	74.9
148.12119	1.5
156.09293	1.2
157.10199	1.4
159.11719	3.9
160.12462	2.9
161.09665	2.6
161.13278	25.7
175.11234	1.4
175.14838	12.2
185.13248	2.0
203.10756	2.3
203.14386	6.7
203.17976	79.8
204.13901	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03943	0.7
55.05514	7.6
57.07076	1.9
60.04528	1.5
67.05508	11.9
69.07072	9.8
69.46061	5.7
79.05490	8.0
81.07058	21.5
83.08621	3.5
91.05476	18.6
93.07049	13.7
95.05013	1.0
95.08613	36.1
102.15083	0.6
103.05428	0.9
105.07034	56.6
107.08603	18.7
109.06523	0.9
109.10165	21.5
115.05476	2.3
117.07030	3.3
118.53976	0.7
119.08585	43.5
120.08855	0.8
121.10150	15.0
123.11726	5.6
128.06200	1.3
129.07051	1.4
131.08607	4.4
132.05730	0.9
133.10133	30.2
135.11690	2.8
137.78017	0.7
142.07800	1.4
143.08583	1.8
144.09337	1.0
145.06519	1.7
145.10124	6.7
146.10893	0.8
147.08015	2.0
147.11691	100.0
148.12102	1.2
157.10124	3.0
159.11702	2.9
160.05148	2.0
160.12476	3.1
161.05994	1.3
161.09615	1.8
161.13272	16.5
175.07597	4.0
175.14836	4.6
185.09593	1.0
185.13391	1.2
188.04698	1.2
203.06979	4.8
203.10611	4.1
203.14458	6.1
203.17964	87.8
204.13910	2.0
204.18315	1.4
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	(-)-Nootkatene
Peak:m/z	Relative Intensity
53.03924	1.6
54.70213	1.7
55.01865	1.9
55.05517	10.7
55.05739	2.5
55.11075	1.4
57.07067	3.6
60.04529	15.0
63.14020	1.5
66.91975	1.7
67.05505	15.7
69.07073	13.3
69.83989	8.3
79.05502	8.0
81.07053	20.0
83.08620	7.4
84.04514	8.1
85.02905	3.1
91.05487	16.4
93.07043	12.9
95.04944	1.6
95.08617	40.5
96.04490	4.4
96.56834	1.4
97.02882	3.0
97.10172	2.1
105.07036	48.5
107.08605	19.4
109.06490	2.2
109.10172	21.0
114.05527	3.4
117.07017	4.5
119.08593	57.2
120.96536	2.5
121.06460	1.7
121.10143	13.4
126.05538	10.6
129.07025	3.5
131.08580	5.5
133.06497	1.9
133.10141	52.5
135.11703	4.5
142.07817	3.0
143.08560	2.5
144.06570	3.2
145.10129	11.4
147.08102	2.1
147.11696	53.6
157.10114	4.2
159.11688	8.2
160.12451	3.2
161.09642	3.4
161.13275	26.4
170.10837	2.3
174.13943	2.1
175.07474	2.7
175.14845	13.1
179.97800	2.5
185.13286	3.9
188.15607	2.0
189.11490	2.8
203.07031	2.7
203.10674	8.7
203.14355	25.9
203.17972	100.0
204.08618	4.4
204.13881	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	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03942	0.6
55.01864	0.6
55.05510	2.2
60.04524	0.7
65.03933	0.3
66.67113	0.3
67.05170	0.4
67.05506	5.5
69.07073	3.3
70.21769	0.8
71.04991	0.4
77.03926	0.5
79.05058	0.5
79.05492	6.5
81.07060	12.9
83.04980	0.5
83.08614	0.9
91.05483	10.3
93.07050	6.0
95.04982	1.4
95.08607	6.0
97.06541	0.8
103.05466	1.4
105.07034	16.4
107.04964	1.3
107.08591	2.9
109.06514	0.6
109.10162	2.2
115.05456	1.1
117.07020	6.2
119.08586	10.7
121.06512	4.0
121.10130	2.0
123.08073	0.8
123.11745	0.6
128.06241	1.9
129.07008	6.1
131.08563	3.7
133.06479	0.8
133.10123	5.0
135.08057	1.2
135.11702	0.6
141.06897	0.3
142.07768	0.9
143.08574	5.4
144.09380	0.5
145.10132	2.3
147.08099	1.7
147.11693	11.9
152.50261	0.3
155.08495	0.4
157.10182	2.5
159.11710	2.6
160.12422	0.5
161.09596	1.2
161.13271	2.5
172.16550	0.3
175.11227	0.6
175.14845	2.2
183.11684	0.3
185.13257	7.4
203.14322	100.0
203.17978	5.8
204.14774	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1393
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
53.03937	0.7
54.97100	0.5
55.05503	2.3
56.05032	0.7
56.96559	2.0
57.03430	1.6
58.06600	0.6
59.04968	0.5
60.04526	7.8
67.05499	1.5
68.05045	0.6
69.03422	1.6
69.07082	1.1
70.06592	6.8
70.22832	1.1
70.23221	1.2
71.05002	0.7
71.06106	1.2
72.08160	12.0
73.02930	1.1
79.05486	0.7
81.03397	0.6
81.07064	1.0
83.04980	0.9
84.04495	2.8
84.08158	2.7
85.02913	3.0
86.09708	100.0
87.04497	0.6
87.10058	0.7
88.08758	0.8
89.10791	0.9
91.05478	2.3
93.07074	0.6
95.04976	0.7
96.04503	1.2
97.02900	2.6
97.06548	1.8
98.09709	2.0
98.97601	2.2
100.02211	1.2
100.07609	0.8
102.05569	0.7
103.05481	1.0
104.63609	0.5
105.07043	1.8
108.37214	0.5
112.11276	2.0
114.05555	1.7
115.05434	1.0
116.03480	0.7
116.07104	0.8
116.98653	0.6
119.01940	2.1
119.04951	0.6
119.08595	1.4
120.96531	1.9
126.05508	1.0
128.06227	1.2
128.07066	0.7
129.07056	1.8
129.13936	1.4
130.06517	1.6
131.04903	0.7
132.10207	66.2
133.10492	0.7
137.02975	0.6
142.12297	1.7
143.03441	0.9
144.06638	0.7
147.04427	2.6
147.08061	0.8
147.11678	0.6
156.96216	0.6
157.06509	2.2
157.07686	2.4
157.13358	8.5
158.08139	0.8
158.11777	1.0
158.12949	1.3
158.99672	0.9
160.05173	1.2
161.03053	0.9
161.09682	1.2
175.04031	1.1
175.06219	0.8
175.07561	3.2
177.00728	0.8
179.97778	1.0
185.05798	0.6
185.09715	1.0
185.13145	0.9
186.11218	0.7
188.04669	0.7
191.05862	0.9
203.03519	2.2
203.05220	1.1
203.07088	3.4
203.08513	1.1
203.10687	3.0
203.13809	4.0
204.08688	1.7
204.10394	0.7
204.13698	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01872	0.5
55.05510	1.8
56.05030	0.4
56.96575	3.5
57.03444	1.8
57.04554	0.3
59.05007	0.8
60.04519	0.9
61.02929	0.6
68.05046	0.4
69.03429	2.1
69.07070	3.0
70.06598	13.0
70.27997	0.8
70.28391	0.6
71.05000	1.5
71.06120	3.8
72.08160	15.0
73.02914	1.0
77.17827	0.3
79.05489	0.5
81.03432	0.7
81.07047	0.9
82.06573	0.4
83.08617	0.8
84.04506	0.6
84.08142	2.1
84.96070	0.4
85.02902	1.7
86.09711	100.0
87.04479	0.7
87.10043	0.5
88.04025	0.3
88.07658	0.4
88.08759	3.5
89.10801	0.4
90.05545	0.7
91.05492	0.5
93.38476	0.3
97.02888	2.9
97.06540	1.2
97.07658	2.1
98.06087	0.4
98.09717	1.7
98.97591	4.0
99.04457	0.5
100.02551	0.4
101.00880	2.5
101.96447	0.4
103.00645	0.4
109.02919	0.7
109.06525	0.4
112.11260	1.8
114.05510	0.4
115.02431	0.5
115.03926	0.4
115.08689	0.8
116.07095	4.8
116.98593	1.9
119.01925	8.4
120.02059	0.9
121.01685	3.2
128.02293	0.8
128.07069	0.5
128.98602	0.4
129.10225	0.4
129.13890	0.8
130.06503	1.7
130.08664	0.9
131.01927	0.9
131.33327	0.3
132.10175	0.3
133.01646	0.5
133.03505	1.3
134.08165	0.5
137.02946	1.6
138.03366	0.5
139.02667	1.1
139.04184	0.6
142.03589	0.3
142.12294	1.0
143.01877	2.1
143.03581	0.4
143.08167	15.9
144.03510	0.4
145.03494	1.0
146.99765	0.4
147.04962	0.3
149.03017	0.3
151.04543	0.4
155.01871	0.3
156.97522	0.8
157.03506	1.1
157.07620	2.0
158.11745	0.6
158.12892	4.4
158.99635	1.5
159.05064	0.6
161.02954	3.2
161.06642	0.7
162.03130	0.5
168.05478	0.4
169.09578	0.3
172.10869	0.9
173.02979	1.2
174.98540	0.8
175.02852	0.5
175.06412	0.3
177.00723	1.3
177.06036	0.3
179.04054	0.8
179.07669	0.3
179.99123	1.3
185.02986	0.7
185.06854	0.5
185.07413	0.5
185.09222	6.9
185.10794	0.5
185.13142	0.3
185.16658	0.3
186.14967	0.4
191.04108	0.7
191.05824	1.7
191.55907	0.5
193.03802	0.4
198.00215	0.9
203.02271	1.2
203.04044	0.9
203.07881	2.0
203.10365	4.9
203.15236	6.2
204.13470	3.6
219.05344	0.5
221.03215	1.3
221.05144	0.7
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
66.01884	1.4
69.51403	1.6
70.10931	5.3
74.09646	1.6
75.28052	1.5
84.66536	1.5
85.31040	1.5
98.20735	3.2
101.00895	22.8
110.81095	1.5
114.95661	6.8
119.01929	100.0
120.02091	2.6
124.02427	2.4
132.96672	3.0
134.65848	1.6
137.02950	29.8
142.03520	29.9
149.01393	3.0
151.51524	3.4
152.47554	1.6
160.04601	11.1
160.52083	2.1
161.02971	19.9
179.00803	1.8
179.04005	34.3
202.05647	3.0
220.01866	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	201.1638
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
53.03958	0.5
55.01844	0.4
55.05509	1.6
56.50127	0.4
57.07078	4.7
59.17803	0.3
65.03918	0.4
67.05512	3.3
69.03426	0.4
69.07069	3.6
70.59551	1.0
71.08630	4.0
79.05503	3.1
81.07057	5.7
83.08624	0.7
91.05486	6.6
93.07054	5.2
95.04974	0.4
95.08618	5.0
97.02923	0.4
98.47704	0.4
103.05473	0.3
105.07030	18.9
107.08593	4.8
109.10169	5.8
114.70245	0.4
115.05436	1.8
116.06236	0.6
117.06215	0.8
117.07022	11.6
118.96775	0.6
119.08588	8.2
121.10139	2.6
123.11715	0.5
128.06219	1.5
129.07018	3.4
130.07799	6.3
131.08569	24.5
133.10147	3.6
142.07790	1.3
143.08572	6.9
143.87306	0.3
144.09352	3.8
145.10124	100.0
146.10614	1.3
147.11717	0.5
155.08562	1.1
157.10138	3.2
158.03699	0.5
158.07234	0.6
158.10942	2.9
159.11696	35.5
171.11693	1.0
172.12532	0.9
173.05960	1.1
173.13268	5.4
183.11667	0.5
186.10388	0.5
186.14059	0.6
201.05516	2.8
201.09108	3.2
201.12901	2.8
201.16393	41.9
202.16661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03936	1.7
55.05508	3.4
57.03393	0.7
57.07062	2.8
65.03925	0.7
65.29430	0.6
67.05504	7.1
69.03432	0.7
69.07069	3.7
71.08595	0.9
79.05498	8.2
81.03408	1.0
81.06581	1.0
81.07058	17.0
83.08628	1.4
85.02875	0.6
85.79965	0.5
88.64407	0.6
91.04967	1.1
91.05481	11.6
93.06482	0.9
93.07045	14.2
95.04940	1.8
95.08608	14.1
97.02873	0.7
105.07034	27.1
107.08598	20.4
109.06501	0.9
109.10173	3.4
114.05515	0.7
115.05463	1.5
116.06250	1.2
117.07018	13.5
118.96758	2.6
119.08582	18.9
121.10143	8.1
127.03907	1.5
128.06210	2.0
129.06996	5.9
130.07779	6.3
131.08575	33.9
133.10132	12.4
133.99117	0.8
137.05934	0.9
142.07747	2.0
143.08565	6.5
144.09332	8.0
145.10126	68.7
146.10927	3.0
147.11729	1.3
154.96483	0.8
157.10146	7.0
158.10925	4.2
159.11697	69.1
160.12189	1.2
171.11674	2.9
172.12457	1.8
173.09407	0.7
173.13271	20.5
177.98097	1.8
186.14037	2.9
199.14890	1.0
201.05305	0.8
201.09164	1.4
201.12714	3.1
201.16393	100.0
202.16780	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03943	1.0
55.05502	2.1
57.03435	0.7
57.07084	2.9
65.03948	0.5
67.05508	4.4
69.03426	0.8
69.07076	3.4
70.06601	0.6
79.05498	5.9
81.07057	9.0
83.08595	1.5
85.02885	0.8
86.50111	0.5
91.05481	8.8
93.07047	9.5
95.04963	1.3
95.08611	11.3
103.05491	0.8
105.07033	19.5
107.08596	13.2
109.10168	3.0
115.05447	1.6
116.06241	0.9
117.07018	11.0
118.96805	3.0
119.07801	0.8
119.08587	12.7
121.09403	0.6
121.10159	4.4
124.64003	0.5
127.03771	0.7
128.06184	1.3
129.07028	3.4
130.07803	5.8
131.08569	26.5
133.10144	8.8
140.29707	0.6
142.07753	1.1
143.08569	7.7
144.09348	6.8
145.10129	45.7
146.10855	1.2
147.11682	0.8
154.96439	1.1
157.10136	8.1
158.10916	4.5
159.11700	52.1
160.12250	0.8
171.11690	5.5
172.11159	0.6
172.12456	4.4
173.13272	13.4
177.98083	2.1
183.11774	1.3
186.14066	4.2
199.14755	0.6
201.09142	1.5
201.12723	3.8
201.16388	100.0
202.16748	1.7
208.55270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03938	1.8
53.86296	1.4
55.05501	2.9
57.07097	1.0
59.93114	1.4
67.05502	5.6
69.07083	4.9
69.27547	1.2
70.48073	1.1
71.56757	1.6
73.50109	1.0
79.05491	5.7
81.07062	10.9
83.08620	1.3
91.05482	11.8
91.95562	1.2
93.07049	10.9
95.04947	1.1
95.08617	10.2
96.36569	1.2
105.07040	22.0
107.08597	12.4
109.10160	3.2
115.05509	1.6
117.07021	13.6
118.96769	8.6
119.07779	2.0
119.08584	20.4
121.10130	4.6
129.06987	4.0
130.07765	4.0
131.08565	42.3
133.10130	10.1
133.99127	1.8
143.08548	5.8
144.09329	3.8
145.10126	66.6
146.11086	1.3
147.11703	1.7
148.97722	1.9
154.96480	3.0
155.08604	1.1
157.10141	4.3
158.10925	4.8
159.08081	1.7
159.11700	34.2
159.13034	1.8
171.11592	1.7
172.12460	1.6
173.09641	1.5
173.13275	20.4
177.98012	6.3
183.11823	2.3
186.10390	1.1
186.14079	2.2
190.13498	1.1
201.12845	8.4
201.16385	100.0
208.28815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
53.17869	1.3
53.33638	1.1
55.05518	18.3
57.03429	3.7
57.07082	7.3
59.04998	2.1
65.03951	1.5
65.69844	1.1
67.05173	2.5
67.05507	35.4
69.03427	8.2
69.07072	14.3
70.06575	2.0
70.11333	2.4
70.11704	5.4
71.04999	37.5
71.08634	1.9
72.08151	1.7
78.30164	1.4
79.05500	12.5
81.07059	70.2
83.04990	1.9
83.08619	13.4
85.06547	97.1
91.05482	26.3
93.07053	19.9
95.04968	3.7
95.08609	30.1
97.02899	3.2
97.06525	5.2
98.20840	2.4
99.08102	2.4
102.04698	2.5
105.07041	46.3
107.08599	27.9
109.06485	2.7
109.10175	8.9
111.08036	1.6
115.05470	10.2
116.06283	1.6
117.07028	26.2
118.96773	4.7
119.08583	32.4
121.10151	19.2
123.08057	3.7
123.11713	45.5
127.03902	2.4
128.06210	4.3
129.06996	12.0
130.04140	3.4
130.07785	9.8
131.04910	2.4
131.07584	2.9
131.08568	52.9
133.10147	15.9
136.67404	1.7
137.13257	3.8
139.11131	2.2
141.07005	11.5
142.06531	2.1
142.07739	2.8
143.07336	4.1
143.08562	21.1
144.04465	2.7
144.09369	10.9
145.05336	2.2
145.06490	9.0
145.10129	100.0
146.10820	2.5
147.11700	25.0
154.96483	1.8
155.06013	1.6
155.08534	5.1
157.06480	2.1
157.10109	10.3
158.03679	7.9
158.07304	8.6
158.10898	15.0
159.08066	6.1
159.11703	77.9
160.07597	34.6
165.12758	23.4
168.09239	1.6
169.06483	5.8
170.06076	2.1
170.07362	2.3
171.08038	2.6
171.11667	2.5
172.08829	3.7
172.12471	2.1
173.06004	14.3
173.09674	6.6
173.13275	35.6
177.98106	3.3
183.08109	2.4
183.11673	3.6
183.13823	16.5
186.03108	4.5
186.06810	9.8
186.10376	11.1
186.14082	2.7
201.05473	32.5
201.09128	33.9
201.12733	30.5
201.16394	97.6
202.08754	3.3
202.10701	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	201.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.05517	15.3
56.81506	1.5
57.03416	2.0
57.07085	8.2
59.04993	3.1
65.03935	1.9
67.05171	2.1
67.05509	30.3
67.41777	1.4
69.03445	7.7
69.07073	15.3
69.56286	4.7
69.56721	5.3
71.04996	40.5
78.59443	1.4
79.05499	15.4
81.07062	69.1
83.04971	2.5
83.08614	7.5
85.06551	100.0
86.09696	2.3
88.24474	1.5
91.05484	23.4
93.07057	20.7
95.04951	3.1
95.08611	32.0
97.02877	2.4
97.06537	3.9
99.08067	2.2
99.30510	1.3
103.05487	1.5
105.07036	50.3
107.08601	26.1
109.06522	3.9
109.10157	6.9
109.61218	1.5
115.05434	9.0
117.07035	23.7
118.96738	2.5
119.08585	26.7
121.10150	16.8
123.08099	3.5
123.11715	44.1
124.46833	1.6
126.76769	1.3
127.03916	2.5
127.07526	1.5
128.06224	3.8
129.07030	10.0
130.04153	2.6
130.07805	6.7
131.08582	46.5
133.09244	1.9
133.10149	22.7
137.13264	2.7
139.11192	2.3
139.21266	1.3
141.06990	13.3
142.06485	2.6
142.07742	2.3
143.07335	5.0
143.08562	19.5
144.04523	1.9
144.05617	1.6
144.09309	8.7
145.05219	4.0
145.06471	7.6
145.10130	93.6
146.10876	2.3
147.11688	25.0
153.07007	1.7
155.08543	5.9
157.06444	2.9
157.10123	9.4
158.03673	7.6
158.07297	7.3
158.10905	14.3
159.08081	4.9
159.11705	79.5
160.07590	42.1
165.12758	26.6
168.09355	2.6
169.06485	6.1
170.05992	4.5
170.07285	3.2
171.08046	3.8
171.11740	4.3
172.08810	3.4
172.12498	2.4
173.06026	12.3
173.09673	7.2
173.13269	45.8
177.98071	2.2
183.08081	1.8
183.11711	2.0
183.13812	19.1
186.03171	4.0
186.06798	8.8
186.10379	11.8
186.14056	3.3
201.05457	26.1
201.09117	29.9
201.12733	31.6
201.16400	92.3
202.08617	6.0
202.10643	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	201.1276
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03949	1.3
55.05507	4.1
55.63357	0.5
57.03442	0.9
57.07082	2.8
59.81283	0.6
61.66153	0.6
63.24182	0.6
67.05504	8.7
69.03431	4.3
69.07069	5.3
69.98743	0.6
70.06610	0.7
71.04995	4.5
71.55282	0.9
72.08178	1.0
78.66007	0.6
79.05500	7.1
81.06593	1.0
81.07057	14.7
83.08625	2.6
85.06545	8.3
86.09720	1.0
91.05481	16.2
91.06010	1.1
93.07040	11.3
95.04974	2.5
95.08620	9.3
97.02919	1.5
99.04449	0.6
102.04705	1.0
103.05483	1.8
105.07034	23.4
107.08594	9.3
109.06534	1.9
109.10137	3.2
115.05464	7.0
116.06229	1.8
117.07016	13.8
118.96769	2.5
119.08580	24.2
121.06511	3.3
121.10133	4.6
122.10818	0.8
123.08057	0.6
123.11704	5.4
127.03924	1.1
128.06235	4.8
129.07005	11.3
130.04163	2.0
130.07788	6.2
131.04926	0.8
131.08569	49.7
133.10136	36.9
133.99043	0.6
141.06984	8.7
142.06673	1.3
142.07784	3.9
143.07370	3.2
143.08551	33.7
144.04478	1.2
144.05682	1.4
144.09363	9.6
145.05255	2.1
145.06496	9.1
145.10124	70.1
145.16127	0.6
146.07187	0.9
146.10831	0.9
147.11705	2.3
153.07018	2.6
155.06024	0.8
155.08539	4.3
156.09325	1.8
157.06505	2.0
157.10129	7.7
158.03619	3.0
158.07292	7.6
158.10916	35.7
159.08072	12.3
159.11696	40.9
160.07585	23.0
160.08707	1.1
161.09644	1.0
165.12642	3.3
167.08572	0.9
168.09381	2.6
169.06445	3.7
170.06018	2.4
170.07291	1.3
171.08034	10.1
171.11691	4.5
172.08839	12.3
172.12468	1.7
173.06013	6.2
173.09662	13.9
173.13264	100.0
174.13568	1.6
177.98154	2.0
183.08162	0.9
183.11739	5.7
183.13562	1.2
185.09630	1.1
186.03117	2.5
186.06898	3.1
186.10397	40.5
186.13965	1.3
187.10849	0.8
201.03909	0.6
201.05460	22.6
201.09114	18.6
201.12746	82.1
201.16385	48.5
202.08670	2.9
202.10767	1.0
202.13129	0.8
202.16785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01880	0.6
55.05517	0.6
56.96575	2.3
57.03429	1.3
58.99886	0.5
59.90599	0.5
62.94749	0.4
69.03455	0.5
69.87244	2.6
70.06596	4.1
71.06935	2.3
72.08156	6.0
73.02914	1.0
77.00934	0.6
81.03457	0.5
82.99864	1.4
83.04947	0.6
84.04503	1.9
84.08150	2.1
85.01408	0.7
85.02901	1.2
86.09691	1.8
98.21541	0.5
98.97578	1.7
99.04493	0.5
100.02478	0.5
101.00886	25.7
102.00975	0.7
103.00592	0.5
103.02446	1.4
112.07608	0.7
113.00867	0.9
115.02432	3.1
116.07141	0.8
116.98634	0.6
118.96774	1.1
119.01929	100.0
120.02009	2.8
121.01649	0.9
127.03909	0.7
129.07407	0.6
130.05000	0.7
131.01924	4.9
133.03481	40.6
133.99098	0.6
134.03629	1.0
134.99809	0.4
135.03352	0.4
136.88434	0.5
137.02968	32.1
138.02979	1.0
142.03551	2.7
145.03473	1.8
147.01315	0.7
147.05011	0.8
149.02979	2.8
151.04535	22.8
152.04669	0.9
155.08141	0.8
156.05048	1.5
156.10251	1.0
157.03491	0.9
158.99678	1.0
160.04637	1.0
161.02963	1.1
163.04562	0.7
165.06152	0.5
169.01653	0.6
173.03009	2.6
175.03009	0.8
175.04533	9.1
177.00822	1.1
177.02487	1.1
177.04276	0.5
177.98094	1.1
180.14484	0.5
184.09695	0.6
187.00903	1.4
191.03993	3.0
193.05632	3.8
201.02472	13.0
201.04178	1.4
201.06136	1.2
201.08812	0.9
201.12451	2.1
207.17105	0.5
219.01740	0.6
219.03513	16.0
219.05502	0.8
219.07170	1.0
220.03726	0.6
224.04205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.9
57.03432	2.5
59.05005	3.0
60.53062	0.6
61.02930	6.4
67.05504	1.7
68.05031	1.7
69.07078	1.9
70.06596	89.4
70.57462	1.7
71.04996	32.8
72.08158	12.1
77.52264	0.5
79.05498	3.0
81.07060	14.6
82.06609	0.8
83.04980	0.6
83.07365	1.5
84.08154	2.4
85.02937	0.6
85.06548	2.4
86.06100	0.9
86.09692	0.8
87.08110	1.5
93.07051	0.5
95.04976	1.5
96.08130	3.2
97.08904	1.1
98.06057	0.9
98.09698	1.6
98.97585	1.8
99.08115	0.6
108.08084	0.6
112.07657	0.9
112.11283	1.0
113.06024	3.1
113.09709	0.8
116.97246	1.1
116.98619	1.5
118.28580	0.5
118.72830	0.6
118.96777	2.2
122.05948	0.6
124.11241	2.1
126.12798	100.0
127.13152	1.1
140.07091	0.9
140.10709	43.8
142.12279	70.5
148.97760	0.7
153.96686	0.9
154.08601	2.9
156.13921	1.0
168.13853	12.9
176.98482	0.8
177.98082	0.8
182.08168	1.3
182.11731	3.5
188.54872	0.8
198.94339	0.6
200.09055	1.6
200.12827	70.0
200.16472	28.7
200.19235	1.4
201.05359	0.7
201.13164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96325	0.7
56.96570	6.5
57.03434	0.8
58.02558	0.5
59.34108	0.5
65.03951	0.5
67.05509	0.9
68.05040	0.6
69.03455	0.9
69.07047	0.8
69.87340	2.9
70.06599	18.5
71.05011	0.6
71.95270	0.9
72.08138	2.4
73.02911	0.5
81.03416	0.9
82.06608	1.0
84.04504	0.9
84.08157	3.8
85.02914	1.4
86.09711	1.2
87.04497	0.6
91.04968	0.5
91.05444	2.4
94.06556	0.8
95.04952	0.6
96.08143	8.2
97.02901	1.1
97.06547	0.8
98.96934	1.2
98.97595	32.6
100.07627	44.2
101.00883	1.5
108.08159	0.7
110.97580	0.6
111.97134	0.5
112.07610	0.7
116.97287	0.9
116.98631	20.8
118.96796	0.8
119.01925	4.5
119.04966	2.2
120.02027	1.1
122.06040	1.8
126.09147	0.6
128.07089	100.0
129.07460	0.9
129.10236	1.1
131.00188	0.6
131.01924	1.4
133.03522	0.7
134.99670	10.5
136.07600	1.5
137.02968	0.7
137.06003	3.4
138.06299	0.7
138.09126	0.7
140.00288	0.5
140.07066	2.1
140.10733	0.7
143.01917	1.9
145.03432	0.6
146.99619	0.8
147.04448	3.8
153.00670	1.2
154.08643	2.3
154.12271	2.5
158.01285	1.7
161.02982	2.3
177.00726	1.1
177.04243	0.8
179.07108	0.8
181.00125	0.5
182.08179	1.5
182.11823	1.2
183.08514	1.0
195.01877	0.5
200.02168	0.6
200.03990	1.0
200.05824	0.9
200.07669	0.9
200.09222	1.8
200.12811	6.2
200.14476	0.6
201.05893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.1284
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
53.03945	0.6
55.05516	2.1
56.05030	0.7
56.96611	0.5
57.03444	2.2
57.07085	0.9
59.05010	1.6
61.02934	4.5
67.05509	2.6
68.05031	0.8
69.03433	0.8
69.05811	1.6
69.07073	1.4
70.06597	77.4
70.44308	0.5
70.44644	1.5
71.04996	23.7
71.06908	0.5
71.22005	0.7
72.08160	8.1
79.05525	2.5
81.07061	10.3
82.06580	0.9
83.04969	0.7
83.07371	2.8
84.04517	0.7
84.08144	3.1
85.02928	0.5
85.06557	2.8
86.09716	0.8
87.08137	1.3
91.05496	0.6
93.07040	0.9
94.06570	0.7
95.04972	1.8
96.08137	2.7
97.08943	0.7
98.06112	0.7
98.09695	1.1
98.97611	1.8
100.07602	0.7
108.08127	1.0
109.06615	0.6
112.07614	1.2
112.11262	1.5
113.06011	4.8
113.09637	0.8
115.05531	0.6
116.97241	1.5
116.98622	2.0
118.96771	1.8
119.08617	0.9
119.43693	0.5
119.98092	0.5
122.06029	1.0
122.09686	0.6
123.60287	0.4
124.11236	1.2
126.09190	1.7
126.12801	71.4
128.07138	0.7
131.33656	0.5
133.99120	0.8
134.99692	1.4
136.07632	0.8
136.11208	1.0
138.09216	0.5
140.07082	1.7
140.10710	63.1
142.08621	1.5
142.12283	51.0
148.97746	1.6
152.96970	0.6
154.08670	2.3
154.12318	0.6
154.96414	0.7
156.13879	1.0
158.08226	0.7
164.10713	1.6
168.13829	8.2
176.98586	0.9
177.98019	1.1
182.08144	0.8
182.11760	5.2
200.12834	100.0
200.16460	19.3
200.19147	1.6
201.13112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0919
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03944	1.3
55.01864	1.8
55.05517	1.4
56.05029	2.5
56.96554	4.1
57.03441	1.6
58.72974	1.0
60.04510	1.1
67.05239	0.9
67.05506	12.0
68.05022	3.1
69.03433	10.0
69.06720	1.2
69.07069	12.2
69.89632	2.3
69.90023	2.0
70.06252	1.3
70.06599	21.3
71.04992	2.8
72.08167	1.1
79.05481	3.9
80.05022	5.4
81.03403	1.5
81.07069	4.8
82.06579	3.5
83.04976	2.7
84.04498	2.5
84.08134	4.7
85.02901	3.1
85.06536	1.5
86.09698	4.8
91.05489	10.5
93.05780	6.6
93.07037	6.1
94.06570	28.2
95.04981	10.0
96.04480	2.9
96.08147	12.3
97.02906	2.7
97.06548	2.8
98.06063	2.6
98.97587	11.9
108.04476	1.6
108.08116	29.5
109.06504	4.3
110.06043	16.3
110.09718	1.2
111.06914	1.2
111.08077	2.0
112.03980	5.7
112.07610	6.5
116.97245	2.0
116.98607	8.1
117.05758	2.0
118.06554	4.0
118.96779	3.2
119.04906	1.5
120.08125	2.0
121.06528	2.9
122.06033	75.1
123.04426	4.4
123.06821	2.8
124.07588	5.4
126.05524	1.6
126.09172	3.1
128.07063	3.7
128.98645	1.4
132.99960	1.1
134.05977	2.1
134.66512	1.3
134.99652	3.6
136.07582	78.8
137.05956	5.6
138.05505	1.9
138.09129	5.1
139.07516	2.6
140.07069	100.0
140.10707	3.2
141.10225	1.4
145.77145	1.1
153.96864	1.3
154.04991	3.2
154.08636	64.9
155.07016	1.5
155.11710	2.0
164.07080	15.3
165.05441	2.3
177.00807	1.7
177.98085	3.0
182.08131	67.4
182.11726	3.3
183.08408	2.2
188.54993	1.7
197.55309	1.2
200.09184	82.3
200.12769	10.9
200.18942	2.0
211.02827	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	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05513	1.3
56.05030	0.9
56.96569	6.8
57.03421	0.7
58.99877	0.7
67.05479	0.7
69.03423	1.0
70.06597	23.5
70.56138	1.6
70.56474	1.4
71.95258	1.3
72.04493	0.7
72.08160	4.3
74.09722	1.3
80.37523	0.6
82.01461	0.7
82.06585	1.9
82.10121	0.6
84.04514	4.2
84.08158	5.1
85.02914	0.8
85.06562	1.0
85.33427	0.7
86.06070	1.1
86.09706	2.2
87.04464	1.4
91.05483	1.7
96.08134	8.9
97.02872	1.3
98.97590	40.0
100.02482	2.1
100.07626	47.5
101.00900	2.5
102.00903	0.6
107.53237	0.7
108.08134	1.0
112.07620	1.7
114.09249	1.0
116.98632	28.4
118.96767	0.8
119.01919	6.4
120.02036	2.7
121.91547	0.8
122.05985	1.0
125.78938	0.7
126.09148	1.1
126.31165	0.7
126.98787	0.9
128.07086	100.0
129.10252	2.3
130.12334	0.6
131.01900	4.0
131.07675	0.7
133.03461	1.4
134.03633	1.0
134.99675	13.6
136.07567	1.6
137.03024	1.5
137.05968	1.6
138.09120	1.5
140.03371	0.8
140.07077	1.8
144.99820	1.8
147.04408	2.2
149.02995	1.6
153.00731	1.3
154.03514	3.0
154.05338	0.7
154.08600	2.8
154.09695	1.2
154.12254	3.6
158.01268	3.0
158.99661	1.0
159.01355	1.0
161.02956	2.0
164.07066	1.0
168.01385	1.8
172.04584	0.9
175.98666	1.1
177.00761	2.0
177.02475	4.2
182.03098	1.1
182.08150	1.9
183.08505	2.2
183.11375	0.8
195.01787	0.8
195.03439	1.2
199.18961	3.6
200.04144	3.5
200.05739	1.4
200.07637	1.6
200.09239	2.6
200.12727	6.1
201.02509	1.2
218.05135	1.1
218.06992	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1482
Annotation	Guaiazulene
Peak:m/z	Relative Intensity
51.02383	0.7
53.03951	1.2
55.05508	4.9
56.96563	0.8
57.07064	1.5
57.93564	0.5
65.03939	0.5
67.05497	0.9
69.07069	5.2
70.07406	0.5
70.09871	2.5
72.04504	1.3
74.09715	7.6
79.05493	5.6
81.07052	2.5
81.19377	0.5
82.06573	0.5
83.08608	1.7
91.05487	8.0
93.07047	11.8
95.04955	1.7
95.08588	0.6
98.10535	0.6
98.20802	0.5
98.94775	0.5
100.07609	2.1
103.05434	0.6
105.07036	15.1
107.08602	6.9
111.04445	1.8
111.11752	0.5
115.05460	1.6
116.97221	6.7
117.07024	1.3
119.08585	18.5
128.06235	8.5
129.07019	9.4
131.08574	2.2
131.99565	2.2
133.10156	1.8
141.06993	3.3
142.07782	19.4
143.08563	33.4
144.09286	1.8
145.10165	2.4
152.96935	2.2
155.08549	7.2
156.09357	13.5
157.10132	55.7
157.97426	0.8
158.10837	2.0
169.10133	12.5
170.10927	8.6
171.11700	19.5
175.98541	6.5
183.11696	1.4
184.12483	18.0
197.13338	1.2
199.00172	1.4
199.11127	2.4
199.14836	100.0
199.18863	28.2
200.15160	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07530	0.4
56.96568	2.5
58.30786	0.4
61.04036	0.4
69.82922	2.2
70.01452	0.4
70.06618	0.6
74.09723	1.0
83.02229	3.5
85.66277	0.4
88.02513	0.9
95.23094	0.4
98.20807	0.5
98.97594	3.1
101.00894	1.5
101.02010	1.6
102.02194	0.4
104.03790	0.4
112.03595	0.6
113.02040	0.5
116.98632	1.8
119.01939	5.8
119.03053	4.2
120.03055	0.5
120.95396	0.5
121.01702	1.1
121.02758	0.6
125.07113	0.4
128.04012	0.4
130.03629	0.7
130.04639	1.9
131.01933	0.9
131.02960	0.7
132.03252	0.5
132.04265	0.4
133.01642	0.9
134.99644	0.9
137.02968	1.5
137.04082	1.7
137.52789	0.5
138.02026	0.6
138.96413	6.6
139.01173	0.5
139.03870	0.7
143.32866	0.4
145.03511	0.4
146.53307	0.6
148.05693	1.6
151.02739	0.8
152.02725	0.6
152.53328	0.9
153.02498	0.5
156.51732	0.5
156.97485	86.3
157.97565	2.0
159.03120	0.6
161.05217	0.6
165.52324	1.4
166.02362	0.7
170.99100	0.8
172.95341	0.5
173.03056	0.7
173.52972	0.7
174.03616	3.1
174.52806	0.8
174.98550	100.0
175.98595	2.1
176.05959	0.5
176.99168	0.5
177.00864	0.6
179.06230	0.6
179.99039	1.6
180.97481	0.7
186.53336	0.4
187.02571	0.9
189.00113	1.3
194.03580	0.4
198.00067	1.2
198.18521	4.6
198.98529	15.4
199.00327	0.9
199.18832	2.5
216.99603	39.8
217.99706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03969	1.1
55.01886	1.6
55.05507	4.8
57.03453	1.4
57.07084	1.6
59.05010	2.2
65.03973	2.0
67.05505	7.8
69.03433	1.1
69.07087	2.3
69.22100	1.8
69.22506	5.4
70.95868	7.7
71.05011	0.8
72.08157	0.9
72.93796	4.2
73.02950	1.2
79.05489	7.9
81.03427	0.7
81.07052	7.7
83.05005	1.9
83.08644	1.1
85.06567	1.1
88.62347	0.7
88.96928	1.9
89.80364	0.7
90.94794	0.9
91.05484	21.7
92.05834	1.6
92.76891	0.6
93.07043	23.4
95.04969	9.8
95.05479	0.9
95.08611	4.1
96.05319	0.7
97.02995	0.6
97.06496	0.8
99.04445	0.7
105.07036	31.8
107.04943	1.2
107.08594	66.9
108.08925	1.1
109.06516	7.1
109.10162	7.1
111.98482	7.1
113.05974	1.0
113.96430	1.2
114.94765	0.8
115.05468	0.9
117.06969	1.2
119.04952	3.0
119.06110	0.9
119.08594	9.0
120.05328	1.6
121.06499	7.2
121.10121	1.7
123.04428	5.5
123.08085	1.3
123.11723	3.7
124.04768	1.6
125.05982	1.5
129.99535	3.0
131.08583	2.9
132.95839	12.2
133.02879	1.0
133.10133	69.0
134.10521	1.3
135.08095	1.4
135.11690	58.3
136.12053	0.7
137.05974	5.3
137.09622	5.2
141.07008	2.9
146.07260	2.0
147.04434	1.1
148.04745	0.9
150.09079	0.9
150.96899	20.6
151.03902	3.8
151.07593	1.4
151.09529	7.7
151.11159	6.1
153.06981	1.0
154.06252	0.7
155.08575	2.7
155.97430	9.5
161.09621	36.0
165.05415	1.3
166.05840	2.0
167.08553	3.2
169.06450	0.8
169.08682	1.1
169.10109	2.5
170.15367	0.9
173.98506	13.8
179.10674	100.0
180.11041	1.6
182.05719	0.9
182.07326	0.8
182.10901	3.0
197.00069	1.2
197.05975	2.9
197.07968	1.5
197.09816	2.6
197.11719	74.0
197.13257	7.1
198.18518	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01866	1.9
55.05509	3.1
61.02934	1.2
65.81667	1.0
67.05499	4.8
69.07065	4.1
69.32890	9.3
70.06598	1.6
70.95869	9.5
72.08170	1.6
72.93792	4.5
73.02931	1.2
76.99468	0.9
79.05495	7.8
81.03441	1.2
81.07059	8.1
83.04981	1.6
83.58904	1.0
91.05480	13.1
92.05835	1.2
92.12597	1.1
93.07056	15.1
95.04994	2.6
95.08621	5.4
96.04483	1.4
97.06536	1.8
103.04276	1.0
105.07040	23.5
107.04929	1.1
107.08601	100.0
108.08938	1.5
109.06519	5.3
109.10168	7.6
111.98476	8.3
112.03849	1.0
113.96359	1.1
117.07043	1.0
119.04916	1.5
119.08585	11.6
120.05335	2.4
121.06493	3.1
121.10157	9.6
123.04444	2.5
123.08015	1.8
123.11675	1.4
124.04793	2.6
125.06011	1.5
129.99538	3.3
131.08519	2.6
131.51390	1.1
132.95847	15.7
133.06569	1.3
133.10143	61.0
135.11713	9.9
136.07097	1.3
136.11238	1.6
137.05991	6.7
137.09648	4.7
139.07542	2.5
141.07031	1.9
143.08545	1.6
145.07483	1.1
146.33731	1.3
148.04790	1.9
149.09601	4.9
150.09203	1.1
150.96906	21.5
151.03990	1.5
151.07565	2.8
151.09505	8.8
151.11220	11.3
151.12337	1.9
154.12279	1.6
155.08493	1.5
155.97429	11.1
161.09651	16.4
166.05856	4.1
167.10690	16.4
173.98480	13.2
179.09091	2.3
179.10620	33.9
179.14207	1.4
182.10907	2.1
197.06091	2.1
197.11513	40.1
197.13162	10.5
198.18567	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03930	1.8
55.01876	2.1
55.05497	6.9
55.05739	1.4
57.07063	1.7
57.57417	1.6
58.62354	1.5
59.04998	4.5
65.03931	1.6
65.49785	1.5
67.05508	5.8
68.99783	4.7
69.03432	4.1
69.07087	3.6
69.40434	12.0
70.95873	12.0
72.08136	1.5
72.93790	4.4
79.05504	7.5
81.07087	10.2
83.05001	2.9
91.05493	21.7
93.07053	23.3
95.04983	12.0
95.08603	4.7
97.06537	3.6
105.03432	1.5
105.07046	31.9
107.08609	66.8
109.06525	10.5
109.10188	11.0
111.98505	10.6
113.07129	1.5
118.07751	1.5
119.04967	1.9
119.08611	8.6
120.05268	2.1
121.06512	6.4
121.10155	1.7
123.04452	4.5
123.11687	4.1
124.04768	3.2
125.06042	10.9
125.09583	1.7
127.03897	2.9
128.06197	1.8
129.99530	3.7
131.08589	3.9
131.37303	1.5
132.95847	18.4
133.10146	65.7
135.11700	50.1
137.05991	10.7
137.09631	6.0
140.04697	2.1
143.08583	2.7
146.07246	3.5
150.96910	22.1
151.03894	2.2
151.09479	6.8
151.11195	5.2
153.09091	4.3
155.08528	1.8
155.97411	10.6
161.09634	32.0
165.05478	1.8
166.05829	2.1
169.07608	1.5
173.98520	15.2
179.10695	100.0
197.05948	1.7
197.10046	2.3
197.11740	64.7
197.13287	3.8
197.17328	1.8
198.18599	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	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	2.4
55.05501	4.7
57.07082	1.4
61.02916	2.4
64.76728	1.1
67.05492	4.7
69.03425	2.8
69.07061	4.5
70.06607	1.6
70.95874	13.4
70.99614	2.6
71.04994	2.3
72.08160	3.5
72.93800	6.6
73.02921	2.6
79.05505	8.5
81.07060	11.7
83.04994	2.7
83.08622	2.0
88.96914	1.7
91.05491	18.9
93.07054	17.6
95.04976	4.9
95.08611	6.9
97.06544	3.1
97.98936	1.2
99.04437	2.0
104.69504	1.3
105.07037	31.9
107.04930	1.6
107.08602	100.0
108.08929	2.0
109.06513	7.3
109.10160	6.6
111.08137	1.3
111.98474	12.9
113.96429	1.7
119.04912	2.6
119.08594	17.8
120.05260	2.1
121.06513	3.2
121.10163	17.6
123.04456	4.0
123.08080	3.3
123.11741	2.2
124.04774	3.9
125.05978	3.1
125.09659	2.2
129.99518	4.9
131.08527	2.3
132.95850	21.9
133.10135	54.5
135.11703	5.6
137.06013	6.6
137.09615	4.6
139.07535	4.1
141.05550	1.5
141.06953	2.6
143.08580	2.8
148.04781	1.8
149.09634	9.2
150.09125	2.1
150.96913	29.4
151.03896	5.0
151.07579	3.3
151.09476	12.7
151.11194	19.0
154.06311	2.1
154.07758	2.1
155.08585	2.0
155.97430	15.3
161.09615	16.7
166.05814	5.7
167.10683	25.9
169.10133	3.8
173.98511	22.0
179.10690	38.5
179.12199	2.7
179.14322	3.0
182.05814	2.2
182.10913	2.3
197.06018	4.0
197.08049	4.6
197.09921	2.3
197.11743	45.1
197.13327	6.0
197.15208	2.4
198.18547	14.8
200.15288	1.2
205.45869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	(+)-Loliolide
Peak:m/z	Relative Intensity
53.00944	0.9
53.03928	1.1
55.01867	7.3
55.05515	13.5
67.05500	3.9
69.03426	2.4
69.07046	0.9
70.89867	2.8
70.95864	3.6
71.01331	1.2
72.08154	1.3
72.93807	2.2
79.05512	7.1
81.07066	26.4
83.04976	1.7
91.05492	9.2
93.07056	11.6
95.04963	3.4
95.08616	1.8
97.06523	4.0
99.04459	6.5
105.03339	1.3
105.07035	13.4
107.04942	1.0
107.07880	1.7
107.08604	30.0
109.06519	13.4
109.10169	7.7
111.04432	4.2
111.98463	4.5
117.07096	1.4
119.08580	4.0
121.06540	2.6
123.04460	1.2
123.08115	2.0
123.11705	2.4
125.06008	47.9
127.03933	17.6
128.06198	1.4
129.99504	1.2
131.08601	1.9
132.95891	6.5
133.10144	31.0
135.10719	1.1
135.11713	16.4
137.05991	100.0
137.09596	8.3
138.06329	1.2
143.08615	4.9
150.95978	0.9
150.96941	8.5
151.09462	3.6
151.11180	3.2
155.97464	5.6
161.09624	18.9
166.91652	0.9
167.19055	0.9
173.98528	5.2
179.10695	37.6
179.14268	1.3
192.24457	1.1
193.17935	1.0
197.11740	28.4
197.13196	1.5
198.18546	3.7
204.14627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.01571	0.2
53.03947	0.6
55.01872	2.5
55.05501	0.8
55.93523	0.5
57.03439	0.5
57.07076	0.3
65.03937	2.4
67.05511	2.4
68.99757	0.2
69.03412	0.6
69.07051	0.7
70.01188	0.4
70.01589	0.9
70.06575	0.4
70.95518	0.3
70.95870	4.9
71.01347	0.3
72.08150	1.4
72.93789	2.9
73.02923	19.6
77.03902	0.4
79.05486	1.0
81.07047	1.0
83.04967	0.4
84.04505	2.2
85.02905	0.5
85.06528	0.3
86.09702	1.3
88.96903	1.0
90.94821	0.6
91.05490	3.6
92.05830	0.3
93.03406	1.0
93.07043	0.9
94.04177	0.3
95.01339	0.3
95.04991	2.2
95.08601	0.8
104.53041	0.2
105.03387	0.4
105.07027	1.1
107.04984	0.5
107.08598	1.6
108.02103	2.0
109.02863	0.6
109.06516	1.3
109.10152	0.3
110.03658	2.5
111.04450	2.3
111.98479	4.9
112.01547	0.3
113.96420	0.5
114.94695	0.3
117.03384	0.5
119.04944	2.4
119.08572	0.5
120.05288	1.0
121.04006	0.3
121.10184	0.3
123.04432	1.6
123.08058	0.6
124.04770	1.6
125.06001	15.4
127.03865	0.2
129.99536	2.4
132.95850	9.4
133.02856	1.3
133.10139	1.2
135.11696	0.9
136.01613	0.4
137.05998	2.4
137.09630	0.9
138.05490	0.7
141.05472	3.1
141.07034	0.5
147.04405	0.6
148.04776	0.7
149.06006	3.0
150.09229	0.5
150.96904	12.3
151.03917	100.0
151.05011	7.8
151.07468	3.5
151.09448	3.8
152.04256	0.9
155.97429	6.0
161.09650	0.5
165.05467	1.1
166.05841	1.9
168.97960	0.6
169.06520	0.4
169.10114	0.4
173.98508	8.8
179.05522	0.9
179.07042	19.8
179.10464	1.5
179.14235	1.6
180.07608	0.2
182.05794	0.5
182.11037	0.3
191.99571	0.3
197.00151	0.4
197.06133	1.1
197.08124	5.9
197.09949	0.8
197.11716	0.6
197.13255	0.9
198.18607	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.097
Annotation	alpha-Methyl-m-tyrosine
Peak:m/z	Relative Intensity
53.03937	0.4
65.03923	0.4
70.30083	1.3
91.05487	11.9
93.07022	0.9
94.58025	0.4
95.04977	15.6
98.09714	0.9
103.05489	1.5
105.07072	0.4
107.04964	2.8
108.08290	0.4
109.06528	2.0
117.05772	0.9
119.04953	27.7
120.05309	0.5
121.06531	4.8
123.04440	51.8
128.05379	0.4
132.08104	0.9
135.06798	10.5
137.05998	0.8
147.03230	0.9
147.04416	18.3
150.09154	100.0
151.09512	0.5
165.05489	39.2
194.39938	0.4
196.09705	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.097
Annotation	Metyrosine
Peak:m/z	Relative Intensity
51.02385	0.2
53.03941	0.6
55.01877	0.1
56.05041	0.2
57.05810	0.5
65.03938	0.4
69.88239	0.2
69.88641	0.3
77.03938	0.5
79.05476	0.2
81.07046	0.3
88.04002	0.3
91.05484	15.0
93.07047	1.2
94.04214	0.2
95.04974	18.5
103.05477	2.0
105.04508	0.3
105.07021	0.2
107.04953	2.9
107.05618	0.2
108.05735	0.2
108.08144	0.2
109.06530	2.4
109.90340	0.1
117.05785	0.8
118.04140	0.1
118.06513	0.3
119.04949	29.5
120.04478	0.2
121.06507	5.0
122.09666	0.2
123.04432	56.2
132.08107	1.1
134.06015	0.5
135.06804	12.4
137.06029	0.7
137.13696	0.1
147.04417	18.8
148.07555	0.1
149.08420	0.2
150.09148	100.0
151.09508	0.2
165.05481	35.8
166.05853	0.2
178.08665	0.5
196.09705	12.0
219.59113	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03934	2.5
55.01872	5.7
55.05268	2.2
55.05515	35.7
55.84515	2.0
57.03427	6.7
57.07084	22.7
65.03934	3.8
67.05507	30.4
69.01810	1.8
69.03430	3.0
69.06723	3.4
69.07073	55.1
70.06592	2.0
71.05009	10.6
71.08640	2.9
71.09688	2.8
71.10046	3.4
72.08159	5.3
75.06439	1.7
76.34818	1.8
79.05502	29.4
81.03407	2.6
81.07064	84.7
83.04989	5.7
83.08627	20.0
85.06551	19.8
88.29454	1.8
89.03919	18.6
91.05493	17.3
93.03407	2.9
93.07054	54.7
95.04979	12.2
95.08617	100.0
96.08130	2.2
97.06526	8.4
97.10171	25.3
99.08087	15.9
103.05465	3.3
105.07047	11.0
107.04963	18.3
107.08603	77.7
109.06527	5.3
109.10170	32.0
111.08102	7.2
111.11703	7.0
113.09645	3.6
113.70429	1.9
113.98775	1.8
115.81455	1.8
117.03385	29.2
119.04928	8.3
119.08607	2.1
121.02884	1.8
121.06509	4.4
121.10155	79.9
123.04443	21.4
123.11712	16.0
125.05986	3.3
125.09632	9.9
131.08554	2.0
133.10149	3.2
134.03618	5.5
135.04424	10.9
135.06854	2.4
135.08093	4.1
135.11700	27.8
137.05983	2.2
137.13266	16.4
138.96799	2.0
139.11188	6.5
145.02855	48.6
147.04414	5.8
148.97351	2.6
149.05983	16.7
149.09625	4.3
149.11540	2.5
149.13275	7.3
150.09163	40.2
151.14848	4.8
153.05479	5.2
153.12810	2.6
163.03929	12.4
163.07574	4.3
165.05478	14.0
165.06906	3.5
167.03442	2.3
167.07028	2.7
177.05486	64.6
177.09084	2.8
177.12943	2.4
177.16405	79.6
180.09340	4.2
195.02904	5.1
195.06488	5.3
195.08121	3.7
195.10252	3.8
195.12025	10.3
195.17462	41.1
196.09763	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	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.2
55.01874	5.9
55.05513	29.2
57.03427	6.4
57.07078	18.5
59.04992	3.1
65.75106	1.7
66.52976	1.7
67.05507	32.6
69.03437	5.4
69.07071	50.7
70.94273	1.9
71.04993	11.5
71.08627	5.3
71.55328	3.1
72.08154	4.5
74.80470	1.6
77.03973	1.8
79.05497	33.4
81.03403	2.5
81.07058	86.0
83.04989	4.4
83.08614	21.5
84.04524	2.4
85.06548	15.7
89.03925	21.8
91.05482	20.3
93.03398	1.9
93.07044	52.7
95.04987	14.2
95.08608	100.0
97.06516	8.6
97.10165	21.0
99.08096	17.2
101.51772	2.2
103.05466	4.5
105.07026	10.6
106.04212	2.5
107.04961	26.0
107.08601	76.1
109.06520	2.5
109.10155	36.0
111.08086	11.2
111.11714	9.2
113.09689	3.6
116.85688	1.7
117.03386	39.0
119.04949	15.1
119.08598	4.3
121.06500	6.5
121.10147	78.6
123.04437	34.3
123.08103	2.7
123.11712	22.0
125.02354	2.0
125.06009	4.3
125.09636	8.2
126.37599	1.7
131.08572	2.7
133.10184	2.3
134.03638	5.7
134.09569	1.8
135.04448	10.4
135.06790	6.1
135.08069	7.6
135.11702	29.4
137.05986	2.1
137.13254	15.1
139.11159	9.6
145.02846	78.2
147.04425	12.3
148.97371	3.0
149.05969	19.7
149.09689	3.4
149.13245	8.7
150.09142	53.0
150.12682	1.9
151.14830	5.0
153.05502	3.5
153.12769	6.2
163.03909	10.0
163.07561	4.8
165.05507	22.4
167.07062	3.7
167.08507	2.4
177.05478	85.3
177.12769	3.0
177.16394	66.8
180.09456	1.9
195.02972	5.0
195.06537	4.9
195.08333	4.8
195.10184	7.2
195.11946	10.6
195.13754	3.6
195.17451	40.9
196.09718	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	195.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.1
53.03935	2.5
55.01860	2.1
55.05514	34.3
55.81847	0.7
57.03440	4.2
57.07077	18.7
59.04982	2.9
65.03935	2.7
67.05508	26.1
69.03415	1.5
69.07070	45.3
69.83545	1.7
69.83959	3.2
71.04996	9.1
71.08642	3.9
72.08129	0.8
76.90186	0.7
77.03882	1.0
79.05495	25.5
81.07060	75.7
83.02472	0.8
83.04967	2.6
83.08627	21.2
85.06544	15.6
85.10178	1.2
89.03925	6.3
89.06047	0.9
91.05479	12.9
93.03417	1.2
93.07049	48.9
95.04970	5.3
95.08610	100.0
96.08971	1.1
97.06537	3.9
97.10172	19.6
99.08104	12.5
103.05476	1.3
105.07043	6.3
107.04971	8.9
107.08601	68.2
109.06525	2.3
109.10156	31.0
111.04385	1.0
111.08092	5.7
111.11742	6.9
113.09634	3.6
117.03384	10.4
119.04945	3.1
119.08548	2.3
121.02865	0.8
121.06496	2.2
121.10147	74.9
123.04434	5.2
123.08051	1.1
123.11715	14.3
125.05988	1.3
125.09621	4.7
125.13296	0.9
133.10132	1.2
134.03584	2.1
135.04399	2.4
135.08067	2.7
135.10680	1.6
135.11691	26.1
137.05962	1.3
137.09628	1.0
137.13257	17.4
139.11192	6.7
145.02846	16.8
147.04425	1.0
149.05975	5.3
149.09561	1.5
149.13260	6.8
150.09145	9.2
151.14781	4.1
153.05487	1.0
153.12758	2.6
163.03918	3.2
163.07521	2.2
165.05525	3.7
165.06815	1.0
165.16373	1.2
167.03409	1.5
167.07050	2.0
177.05478	22.9
177.16397	65.3
180.09230	0.8
195.02884	4.4
195.06544	2.1
195.08397	0.9
195.10211	2.5
195.13684	1.4
195.17455	34.2
196.09709	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03937	2.7
55.01863	2.3
55.05515	35.0
57.03435	4.3
57.06823	1.3
57.07080	18.9
59.04991	2.6
59.29053	0.8
65.03931	1.1
67.05505	27.8
69.03419	1.0
69.07072	49.1
70.64467	2.7
71.04714	0.8
71.05003	9.1
71.08626	3.3
78.04716	0.8
79.05498	25.4
81.07061	76.6
83.04982	3.5
83.08627	18.3
85.06544	15.9
85.10197	1.4
89.03912	8.3
91.05476	11.4
93.07052	50.7
94.07371	0.9
95.04982	4.4
95.08611	100.0
97.06538	3.9
97.10178	20.3
98.20879	0.9
99.08092	12.0
103.05482	3.0
105.07040	9.2
106.04157	1.1
107.04960	23.0
107.08598	69.0
109.06495	2.3
109.10161	32.4
111.08097	6.3
111.11737	6.8
113.09648	3.1
115.05447	1.8
117.03384	16.0
119.04954	3.1
119.08571	2.7
120.35191	0.8
121.06520	1.8
121.10149	73.1
123.04455	4.5
123.11720	13.1
125.09647	4.9
134.03612	2.6
135.04382	1.7
135.08049	5.4
135.11697	24.2
137.06010	1.7
137.13264	17.3
139.11200	5.8
145.02849	26.5
147.04385	2.6
149.05965	7.1
149.13332	5.5
150.09186	7.1
151.14844	3.8
153.05429	1.4
153.12762	3.0
154.06331	1.8
163.03918	4.0
163.07539	8.3
165.05482	2.3
165.16438	1.0
167.07053	6.8
177.05486	33.8
177.16397	61.3
178.16696	1.1
180.07826	1.6
195.01175	1.9
195.02873	1.5
195.06529	1.1
195.10155	6.8
195.17467	37.4
196.09766	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03943	3.6
55.01859	7.0
55.05513	26.2
55.68743	1.4
57.03444	2.1
57.07076	7.5
59.04993	2.3
65.03933	2.5
65.07094	1.5
67.05506	19.3
69.03432	10.1
69.07071	47.0
70.06621	1.9
70.65547	2.7
70.65852	2.0
71.04990	10.4
72.08154	6.1
73.39655	1.5
73.63589	1.5
78.04723	1.6
79.05489	18.4
79.86903	1.4
81.03443	2.3
81.04538	2.4
81.07053	45.8
83.04978	6.2
83.08614	20.4
84.08135	2.1
85.02903	1.8
85.06542	10.0
89.03921	26.0
91.05471	18.8
93.07042	29.0
95.04969	11.3
95.08606	57.6
97.06519	4.5
97.10172	12.2
98.09689	2.4
98.22000	1.5
99.08096	41.5
103.05474	4.6
105.07033	9.1
106.04092	1.8
107.04957	34.3
107.08593	51.0
109.06499	2.0
109.09436	3.0
109.10150	25.9
109.98911	1.8
111.04437	2.8
111.08084	17.1
111.11720	5.4
113.09628	5.2
115.05476	1.5
117.03378	47.6
117.07050	1.6
119.04935	10.9
119.08596	3.7
121.06503	6.2
121.10143	67.7
123.04414	26.9
123.08090	1.8
123.11686	7.4
125.06007	4.0
125.07015	1.4
125.09631	32.3
130.96288	1.6
131.08521	2.7
133.02844	2.0
133.10110	3.3
134.03621	7.3
135.04437	10.1
135.06787	5.6
135.08060	10.1
135.11700	25.6
136.03976	1.7
136.07704	2.0
137.06004	3.1
137.13269	16.5
138.38457	1.4
139.07510	2.2
139.11168	4.6
140.78949	1.4
145.02847	85.6
147.04405	9.6
148.97366	5.0
149.05977	27.9
149.09613	3.7
149.10750	4.4
149.13303	5.1
150.09143	46.4
153.05511	3.4
162.03165	2.2
163.03891	14.5
163.07555	10.3
165.05479	18.3
165.06944	4.2
167.07060	8.5
167.08441	3.4
171.99051	2.1
177.05470	100.0
177.10239	4.2
177.12856	2.6
177.16396	71.9
178.05856	1.6
178.64539	1.5
180.09218	2.3
186.05522	2.5
195.02831	8.9
195.06499	5.2
195.08276	5.4
195.10040	10.3
195.11676	6.8
195.13727	4.1
195.15701	3.3
195.17418	21.5
196.09682	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
50.91862	1.5
53.03947	4.3
55.01867	1.6
55.05515	15.1
56.79673	1.5
57.03433	2.7
57.07078	3.5
67.05510	15.3
67.41336	1.3
69.03423	3.8
69.07076	22.0
70.06582	1.7
71.04993	5.1
71.55686	2.2
72.08160	8.1
74.20775	1.5
78.04723	2.9
79.05499	24.2
81.03424	3.6
81.07063	42.8
82.07382	1.8
83.04993	4.3
83.08603	8.4
83.50478	1.8
84.08169	1.9
85.06557	4.3
89.03921	24.2
89.04417	2.1
91.05486	16.8
93.07054	32.4
95.04989	10.2
95.08614	50.1
97.02911	2.5
97.06525	4.0
97.10162	4.6
98.09662	1.8
99.08103	10.1
103.05476	2.9
105.07020	7.6
106.04172	2.9
107.04970	21.0
107.08601	36.1
109.02832	1.4
109.06512	2.7
109.10161	10.6
109.98965	2.7
111.04440	3.6
111.08092	5.4
111.11726	3.1
113.09652	3.4
117.03386	44.7
117.07049	3.2
119.04982	4.2
119.08582	2.0
121.06499	6.1
121.10153	46.2
123.04425	10.2
123.08042	2.3
125.05990	2.2
125.09616	3.8
131.08583	4.4
133.02852	1.8
133.10149	5.1
134.03606	8.0
135.04433	13.4
135.08086	6.0
135.11700	17.8
137.06003	3.7
137.09683	2.0
137.13274	9.0
138.06610	2.4
139.03897	2.6
139.07576	3.2
145.02856	85.4
147.04437	4.8
148.97388	2.9
149.06004	28.9
149.09654	4.7
149.13251	8.5
149.97156	1.7
150.09145	19.1
152.06262	1.9
153.05498	3.6
153.06886	1.9
154.06236	3.4
159.11749	5.3
163.03937	16.3
163.07587	4.3
165.05493	7.2
165.07034	9.1
166.07788	1.9
167.07072	6.0
167.08624	5.0
171.99052	3.7
177.05486	100.0
177.08937	3.1
177.12767	5.1
177.16411	60.5
179.08585	1.6
180.09386	7.9
186.05617	2.8
195.02893	5.1
195.06532	13.4
195.08195	9.0
195.10173	5.9
195.11717	18.0
195.13802	6.6
195.15610	1.4
195.17511	9.3
196.09721	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
51.02374	0.9
51.92202	0.8
53.03944	2.7
55.01871	3.6
55.05517	16.5
57.03432	2.5
57.07072	5.7
63.02378	1.0
65.03949	2.8
67.05511	19.8
68.96319	1.2
69.03432	5.7
69.07073	29.9
69.44321	1.8
69.44740	4.5
70.06582	2.9
70.94240	1.3
71.01323	1.0
71.05000	5.7
71.08644	0.9
72.08163	6.6
77.61922	0.9
78.04731	1.6
79.05499	16.8
80.05009	1.0
81.03429	2.6
81.07061	35.0
83.04986	3.4
83.08627	12.7
84.08151	1.8
85.02876	1.4
85.06544	7.0
85.10211	1.6
89.03925	27.3
89.06042	1.3
89.98078	0.8
91.05486	13.7
93.03392	1.5
93.07049	26.1
95.04980	11.6
95.08614	38.5
97.06536	4.4
97.10184	8.8
98.09702	2.5
99.04458	1.6
99.08092	20.5
103.05477	4.1
105.04482	1.1
105.07038	5.4
106.04185	2.1
107.04965	23.2
107.08600	27.9
109.06533	3.1
109.10171	12.4
109.98975	1.4
111.04442	3.2
111.08076	10.3
111.11739	3.5
112.07609	1.3
113.09694	1.9
117.03387	49.1
117.07033	1.5
119.04948	12.2
119.08582	2.6
121.02884	0.9
121.06528	5.5
121.10146	34.0
123.04440	18.2
123.08055	1.5
123.11733	3.6
124.05134	1.3
125.05968	2.0
125.09633	13.8
125.40336	1.0
130.96353	1.9
131.08577	2.9
133.02766	1.1
133.10124	4.7
134.03616	8.6
135.04431	13.4
135.06819	3.6
135.08069	5.3
135.10709	1.4
135.11700	15.1
137.05980	1.6
137.09630	1.3
137.13278	10.0
138.06673	2.1
139.07571	1.1
139.11194	2.5
145.02855	89.8
146.03220	1.2
147.04425	8.1
148.97346	3.7
149.05986	24.3
149.07114	1.6
149.09622	2.7
149.13272	7.2
149.97232	1.1
150.09145	31.2
150.10339	1.8
151.07631	1.0
151.14882	1.1
152.04628	1.0
152.06233	2.3
153.05464	3.9
153.06645	1.0
153.12743	1.2
153.97903	1.7
154.06305	1.5
159.11714	4.4
162.03197	1.8
163.03932	14.7
163.07576	2.6
165.05510	12.7
165.07037	5.6
167.01611	1.2
167.03479	1.2
167.07037	3.6
167.08565	2.6
171.98978	1.9
175.14865	1.0
177.05479	100.0
177.08920	2.0
177.12770	3.0
177.16422	29.8
178.05865	1.7
179.08562	1.2
180.09286	4.2
186.05560	3.5
195.01314	1.0
195.02911	3.3
195.06511	7.7
195.08231	6.5
195.10197	4.0
195.11760	6.1
195.13815	5.5
195.15762	1.2
195.17462	20.1
196.09731	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.69436	1.0
53.03943	3.8
55.01865	3.2
55.05515	22.4
57.03438	5.4
57.07077	1.3
57.75427	1.2
65.03943	2.5
67.05506	67.0
69.03439	2.0
69.07068	19.6
69.23351	2.6
69.23754	8.9
71.01346	2.4
71.04992	6.3
73.90736	1.0
77.03891	1.3
79.05494	44.8
81.03420	13.7
81.07059	100.0
82.07375	1.2
83.04982	9.3
83.08627	12.6
85.06547	3.8
89.03925	5.0
91.04897	2.0
91.05479	41.5
93.07046	66.4
93.33186	1.3
95.04974	8.8
95.08608	35.3
97.06541	12.3
99.08131	1.3
99.19008	1.3
105.07037	13.5
107.04957	7.6
107.08604	32.4
109.06527	4.3
109.10160	4.2
111.08101	6.3
113.09657	1.1
117.03394	8.1
117.07023	13.1
117.90130	1.1
119.04916	1.3
119.08599	4.1
121.06532	6.1
121.10147	10.2
123.04474	2.0
123.11684	2.5
125.09712	1.5
131.08560	13.3
133.10133	27.1
134.03694	1.6
135.04465	1.6
135.08067	4.3
135.11696	39.6
145.02831	16.4
149.05991	5.4
149.09663	1.9
149.13263	21.5
150.09163	2.0
151.11169	3.4
159.11699	16.9
163.03909	6.3
165.05556	1.7
165.07153	1.8
177.05458	19.2
177.12752	10.0
195.02844	1.8
195.06566	2.5
195.08195	2.8
195.10092	1.4
195.11777	3.4
195.13820	18.5
199.78029	1.1
211.00551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03952	5.8
54.51324	1.3
55.01865	6.0
55.05263	1.7
55.05516	24.1
57.03440	7.7
57.07064	1.9
59.05028	1.3
65.03951	2.9
67.05508	67.7
68.05837	1.6
69.03436	8.2
69.07075	22.3
71.01340	2.0
71.05001	6.2
71.27799	1.1
71.55820	1.9
73.02917	1.3
79.05500	50.8
81.03429	25.6
81.07061	100.0
82.07383	2.1
83.04992	18.8
83.08627	12.4
85.06557	4.5
87.04478	2.1
88.22461	1.2
89.03919	13.5
89.06026	4.5
91.05486	37.4
93.07051	70.6
95.04981	12.1
95.08614	38.7
97.06536	16.2
97.10146	3.1
98.09665	2.3
99.08085	2.9
103.05472	2.1
105.04541	1.9
105.07038	13.9
106.04176	1.7
107.04967	3.5
107.08599	30.0
109.06510	3.2
109.10175	4.9
109.99006	1.6
111.04436	1.5
111.08107	6.6
113.09657	2.0
115.05466	1.8
117.03389	25.9
117.07023	10.3
119.04969	3.8
119.08610	5.9
121.06514	11.9
121.10168	15.5
123.04454	6.0
123.08111	1.5
123.11666	1.6
125.09626	2.2
129.07045	1.8
130.96344	1.7
131.08585	15.3
131.96146	2.0
133.10143	23.8
134.03648	5.1
135.04428	5.3
135.06853	1.9
135.08081	5.5
135.11707	30.2
137.57736	1.4
139.07596	1.6
139.08585	1.4
145.02855	45.7
146.03084	1.3
147.04396	2.9
148.97415	2.9
149.05992	12.9
149.09599	1.7
149.13268	21.8
149.97256	3.8
150.09137	12.7
151.11206	2.9
153.69666	1.2
159.11697	18.4
163.03877	5.7
165.05501	4.1
165.07042	5.7
167.08594	1.7
171.99022	1.8
172.98830	2.5
177.05486	57.3
177.12770	14.4
177.16406	2.8
180.09329	3.9
186.05553	3.1
195.02934	5.7
195.06569	2.7
195.08542	3.2
195.11705	12.6
195.13840	19.3
195.15579	1.4
195.17482	1.6
196.16939	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	6.1
53.11831	1.3
55.01862	4.4
55.05518	20.8
56.96564	1.8
57.03431	7.8
61.35486	1.4
65.03926	2.4
65.60066	1.5
67.05511	62.1
69.03431	4.5
69.07076	14.6
70.87366	2.5
70.87715	2.5
71.01342	3.0
71.05016	7.6
73.44395	1.6
79.05501	48.5
81.03426	34.6
81.07066	100.0
83.04990	18.4
83.08633	13.1
85.06535	4.8
85.98186	1.7
89.03922	2.8
91.05489	41.3
93.07052	65.9
95.04993	10.4
95.08614	37.9
97.06540	15.4
97.10179	1.8
99.08081	1.8
105.07024	13.5
107.04964	3.9
107.08605	28.6
108.08159	1.4
108.08886	1.4
109.06497	4.0
109.10159	3.5
111.08071	7.2
113.06004	1.8
117.03395	9.9
117.07038	16.7
119.04920	2.3
119.08623	3.5
121.06525	12.1
121.10144	11.2
123.04416	2.5
131.08585	16.0
133.10144	22.0
134.03618	1.9
135.06808	1.4
135.08081	7.8
135.11703	30.8
145.02850	19.8
147.04474	2.2
147.11745	2.1
149.05981	5.5
149.09532	2.1
149.13257	19.3
150.09164	9.6
151.11209	3.6
159.11716	18.7
163.03914	1.9
165.05513	3.6
177.05478	21.4
177.12785	13.9
180.09259	2.6
188.77972	1.5
195.02841	2.1
195.06583	1.9
195.11740	4.3
195.13812	22.2
195.15579	1.8
197.04958	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03932	5.4
55.01858	4.4
55.05517	15.9
56.04988	1.2
56.96576	1.2
57.03435	6.9
57.07068	2.3
65.03933	3.9
67.05508	68.9
68.96330	1.2
69.03427	1.8
69.07068	17.4
69.24392	10.6
70.06577	1.2
71.04989	7.3
72.08149	1.9
72.96619	1.2
73.02939	1.3
79.05494	56.2
80.70366	1.2
81.03423	18.4
81.07059	100.0
82.07356	1.3
83.04983	25.7
83.08631	8.1
84.08131	2.0
85.06541	3.7
87.04474	2.3
89.03914	12.8
89.06056	6.6
89.06477	1.3
91.05484	41.3
93.07047	76.4
95.04978	17.1
95.08604	47.7
95.09081	0.9
97.06533	15.1
97.10216	1.2
98.09642	1.3
99.08073	2.7
103.05457	2.9
105.04500	1.5
105.07042	14.0
107.04968	6.8
107.08600	28.6
109.02823	1.1
109.06502	6.2
109.10149	4.5
111.04485	1.3
111.08083	7.0
113.09659	1.2
116.66644	1.2
117.02615	1.9
117.03381	23.8
117.07015	16.4
119.04947	12.3
119.08569	4.2
121.06490	10.0
121.10141	11.5
123.04435	19.9
123.08101	1.8
123.11668	1.4
129.06995	2.1
130.96283	1.9
131.08577	16.1
133.08525	1.7
133.10146	18.8
134.03618	4.6
135.04395	4.3
135.06805	4.9
135.08035	7.1
135.11694	35.1
136.12036	1.4
138.06673	2.1
139.07564	1.4
139.11249	1.4
145.02853	42.2
147.04425	6.7
148.97354	3.0
149.05980	14.1
149.09612	3.6
149.13260	19.8
149.97214	2.9
150.09148	38.0
151.11119	1.3
151.85947	1.2
153.05464	1.4
153.97865	2.7
159.11693	23.6
163.03918	7.8
165.05470	12.3
165.06992	7.3
167.08621	2.5
171.98970	3.4
177.05478	52.5
177.12747	15.6
177.16241	1.6
180.09299	5.5
182.53865	1.4
186.05478	1.7
195.02858	5.1
195.06509	4.5
195.08272	2.3
195.10233	1.1
195.11649	11.1
195.13795	24.1
195.15668	3.2
196.09660	4.7
214.41714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	3.5
53.44304	1.1
53.50042	1.2
55.01862	3.8
55.05511	16.6
57.03428	4.4
57.07059	1.6
64.47536	1.3
65.03941	1.9
67.05508	58.8
69.07066	16.0
69.26840	2.8
69.27248	8.1
71.01344	2.0
71.05005	6.4
72.90675	1.1
73.02917	2.2
77.03887	1.5
79.05499	39.2
81.03429	13.5
81.07063	100.0
83.04987	11.9
83.08623	10.7
85.02909	1.2
85.06536	4.4
85.75142	1.1
89.03924	4.3
91.04903	1.5
91.05483	40.9
93.07049	53.2
95.04967	6.2
95.08614	33.4
97.06534	10.3
99.08076	2.5
105.07036	13.2
107.04949	4.5
107.08598	28.4
109.06512	4.5
109.10139	3.0
111.08083	6.4
115.05448	1.3
117.03392	11.7
117.07026	12.7
119.08561	3.6
121.06501	5.1
121.10132	9.2
122.57059	1.2
123.04408	2.0
123.08124	1.7
123.11684	2.9
125.05974	1.2
125.09680	1.2
129.07034	1.6
131.08578	13.4
133.10133	26.4
134.03606	1.8
135.04420	1.5
135.08070	3.6
135.11694	31.4
145.02856	17.9
149.06007	5.9
149.09608	1.5
149.13264	18.3
149.97287	1.1
150.09138	3.6
151.11282	2.4
159.11671	13.6
163.03906	6.1
165.05579	1.7
165.06966	1.9
167.08534	2.1
177.05479	18.7
177.12779	11.1
177.53731	1.1
195.02898	1.9
195.06520	2.7
195.08153	1.7
195.11873	2.0
195.13805	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03938	5.1
55.01863	4.7
55.05515	18.8
57.03441	7.7
57.07057	3.3
59.04987	1.5
62.61412	1.2
65.03923	2.3
67.05510	65.6
69.03428	9.9
69.07069	19.7
70.06606	1.4
71.01360	2.2
71.05001	6.4
71.56123	1.8
73.02916	1.7
77.03935	1.4
79.05497	44.2
81.03429	23.2
81.07060	100.0
83.04985	16.4
83.08624	10.8
85.02877	1.5
85.06539	5.6
89.03928	10.4
89.06029	2.7
91.05486	38.4
93.07050	67.3
95.04981	13.2
95.08611	33.5
96.51283	1.4
97.06551	13.6
97.10165	2.9
98.09684	2.0
99.08084	2.7
103.05480	2.1
105.04501	1.7
105.07034	13.1
106.04149	1.5
106.77451	1.5
107.04939	5.6
107.08604	31.6
109.06527	4.8
109.10148	6.9
111.08080	8.0
113.09662	1.3
117.02610	1.9
117.03388	21.1
117.07028	14.6
119.04970	7.9
119.08574	2.7
121.06511	10.3
121.10139	14.1
123.04426	15.0
123.08102	1.9
130.96358	1.9
131.08574	14.7
131.96149	2.3
133.10153	16.2
134.03647	2.7
135.04420	4.4
135.06827	2.7
135.08058	4.1
135.10684	1.9
135.11703	29.1
139.07539	2.1
139.11185	1.8
144.09352	1.5
145.02858	38.8
147.04431	5.8
148.97360	4.7
149.05995	11.9
149.13268	23.3
149.97238	4.1
150.09146	32.0
151.11150	3.1
153.97943	1.3
159.11714	16.3
163.03896	6.6
165.05482	10.5
165.06993	6.3
167.08545	1.6
171.47095	1.6
171.98981	3.4
177.05478	48.7
177.12755	13.7
177.16342	1.8
177.68491	1.2
180.09314	4.2
183.25900	1.2
186.05475	2.3
195.02911	4.1
195.06514	3.7
195.08472	2.1
195.11690	12.1
195.13814	19.0
195.15581	2.5
195.17427	2.5
196.09683	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	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03960	5.0
55.01873	4.3
55.05515	19.7
55.72216	1.1
57.03448	6.4
57.07067	3.5
59.05019	1.5
65.03944	2.8
67.05509	74.1
69.03444	2.1
69.06718	1.9
69.07076	20.4
69.54944	7.0
70.32235	0.9
71.01364	2.2
71.05001	7.9
72.08161	1.4
73.02912	1.3
79.05500	48.0
81.03426	21.9
81.07064	100.0
83.04990	16.0
83.08628	10.7
85.02902	1.4
85.06556	5.3
87.04495	1.5
89.03938	7.3
89.06024	2.5
91.04912	1.1
91.05489	38.5
93.07051	67.5
95.04986	12.6
95.08615	36.6
95.09241	1.4
96.60792	0.9
96.70820	1.1
97.06534	14.7
97.10130	1.2
98.20812	2.5
99.04465	1.0
99.08089	1.8
102.77575	1.1
103.05431	1.1
103.67162	1.0
105.07029	13.2
107.04949	3.8
107.08601	33.1
109.06529	3.8
109.10150	4.9
111.08085	7.1
113.05985	1.4
113.09637	1.1
113.37757	0.9
117.03384	17.4
117.07025	12.9
119.04950	6.3
119.08612	5.3
121.06496	8.9
121.10154	18.1
123.04455	9.7
123.11683	1.3
125.05980	1.3
125.09708	1.4
131.08578	15.0
131.96138	1.2
133.10135	20.0
134.03624	3.3
135.04417	3.4
135.06963	1.3
135.08040	4.7
135.11700	35.0
139.11226	1.5
145.02852	29.6
145.10150	2.1
147.04413	4.0
148.97375	2.5
149.05998	6.8
149.09627	2.5
149.13283	20.9
149.97221	2.7
150.09157	20.1
151.11223	3.4
153.09204	1.2
157.10197	1.5
159.11708	19.1
163.03931	5.5
163.11221	1.7
165.05508	5.6
165.07018	4.8
167.08626	2.6
177.05482	33.0
177.12755	11.8
179.08521	1.5
180.09369	4.3
186.05621	1.6
195.02873	4.7
195.06549	1.6
195.08495	1.9
195.10185	1.5
195.11737	9.6
195.13832	18.2
195.15651	1.3
195.17397	5.3
196.09680	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.09694	0.9
53.03943	4.7
55.01869	5.3
55.05259	1.7
55.05513	20.8
57.03449	6.7
57.07073	2.7
59.04984	1.2
65.03929	3.1
67.05507	67.9
69.03433	1.9
69.07076	19.1
71.01353	2.4
71.05000	5.7
71.28914	1.7
73.02905	1.4
77.03959	1.1
77.49086	1.1
79.05495	48.4
81.03418	24.5
81.07059	100.0
82.03749	1.2
82.07390	1.3
83.04982	16.7
83.08620	11.6
85.06549	4.3
89.03911	8.9
89.06043	3.4
90.61842	1.1
91.05487	36.2
93.07048	64.9
95.04975	12.7
95.08610	36.5
97.06538	15.4
97.10162	4.3
99.08081	2.6
101.38403	1.1
103.05477	1.5
105.04501	1.5
105.07034	12.5
106.04154	1.4
107.04961	3.4
107.08606	26.7
109.06528	6.0
109.10136	5.2
111.08094	7.7
113.09617	1.6
115.05507	1.4
117.03384	20.5
117.07027	11.8
119.04967	3.7
119.08605	3.2
121.06495	8.4
121.10143	17.7
123.04423	7.7
123.08100	1.9
123.11739	1.5
124.12336	1.0
125.05955	1.2
131.08583	13.1
131.43367	1.0
131.96175	1.9
133.10139	19.0
134.03664	2.8
135.04419	3.8
135.06999	1.2
135.08099	5.1
135.11703	32.3
139.11182	1.8
144.09253	1.4
145.02853	34.9
145.10107	1.7
147.04436	3.6
147.11734	1.2
148.97330	2.1
149.06001	9.3
149.09642	2.6
149.13264	17.2
149.97180	1.6
150.09152	15.1
151.11142	1.2
153.05505	1.4
159.11710	18.0
163.03938	5.2
163.11087	1.1
165.05501	6.1
165.07045	5.0
167.08659	2.2
177.05479	43.3
177.12732	13.0
177.16344	1.6
180.09323	3.7
186.05475	2.6
195.02913	3.7
195.06543	2.4
195.08325	1.8
195.11728	8.2
195.13820	17.8
195.15627	1.7
195.17406	4.9
196.09651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	5.9
55.01871	3.8
55.05510	23.0
57.03429	5.1
57.07075	1.6
59.92136	1.1
65.03953	3.1
67.05508	69.4
69.03431	3.0
69.07072	17.5
70.17617	6.0
71.04998	7.5
74.29382	1.2
74.88403	1.3
76.01621	1.2
79.05497	52.4
80.05811	1.5
81.03420	35.5
81.07060	100.0
83.04983	25.8
83.08636	10.2
84.08137	1.5
85.06554	4.5
89.03921	4.8
89.06033	1.3
91.05487	36.9
93.07047	76.4
94.07341	1.9
95.04976	12.3
95.08611	41.8
96.28851	1.2
97.06538	17.0
97.10166	1.9
99.08089	2.8
103.05495	2.2
105.07032	13.7
107.04948	3.8
107.08595	30.1
109.06485	2.7
109.10157	4.8
111.08090	6.8
117.03377	8.3
117.07024	16.0
119.04961	3.8
119.08569	3.2
121.06528	13.1
121.10159	11.6
123.04436	7.6
123.08050	1.4
123.11746	1.5
131.08562	18.7
133.10129	21.1
133.11079	1.6
134.03615	2.1
135.04480	1.9
135.07040	1.8
135.08025	6.6
135.11697	38.9
145.02858	15.5
147.04431	2.7
147.11684	1.9
149.06044	3.7
149.09628	2.7
149.13255	20.3
150.09154	19.1
151.11203	2.4
157.10112	1.4
159.11705	19.5
163.03915	2.5
165.05490	3.6
165.06920	2.3
177.05476	21.2
177.12721	17.1
195.02872	3.4
195.06511	2.0
195.08171	2.5
195.11745	6.0
195.13817	25.7
195.15590	1.6
196.09708	1.5
200.75854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02381	1.1
53.03955	5.5
55.01866	2.4
55.05515	20.8
57.03432	6.7
57.07072	2.1
65.03945	4.1
67.05510	71.0
69.03419	2.8
69.07074	15.6
69.81667	2.3
69.82076	4.6
71.01351	1.2
71.05007	7.9
79.05501	57.4
79.05967	2.7
81.03423	19.8
81.07062	100.0
83.04988	31.2
83.08627	12.6
85.02854	1.2
85.06534	3.8
89.03921	2.9
89.06043	2.2
90.67001	1.1
91.05486	40.5
93.07050	74.4
94.07372	1.7
95.04977	13.7
95.08614	46.1
97.06544	17.7
98.21420	1.8
99.08100	1.9
105.04515	1.6
105.07034	14.5
107.04960	3.0
107.08597	27.0
109.06534	6.8
109.10165	3.7
111.08047	6.1
117.03392	5.8
117.07022	18.2
119.04950	3.7
119.08572	5.0
121.06522	10.0
121.10133	9.0
123.04443	6.9
123.08059	2.8
123.11749	1.5
127.32574	1.1
131.08595	19.8
133.10132	17.5
134.03580	1.4
135.04393	2.3
135.08064	4.8
135.11708	33.5
139.07538	1.2
140.57458	1.0
145.02850	13.1
147.04433	1.8
147.11703	2.1
149.05966	3.9
149.09671	2.7
149.13263	17.8
150.09149	14.4
151.11234	2.2
157.10014	1.4
159.11707	23.1
163.03937	1.2
165.05469	4.2
165.06999	4.0
177.05479	14.3
177.12767	13.6
180.09299	2.2
195.02910	2.2
195.11760	4.7
195.13794	27.3
195.15479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.82649	1.3
53.03947	6.0
55.01863	4.8
55.05515	19.6
56.96556	2.9
57.03447	7.5
57.07072	2.6
65.03935	2.4
67.05507	70.2
69.03416	2.7
69.07069	17.7
69.17772	1.2
71.02321	2.6
71.04985	8.1
74.79073	1.1
79.05498	49.8
81.03424	28.6
81.07061	100.0
83.04984	27.9
83.08631	8.5
85.06543	2.5
89.03915	1.8
91.04907	1.8
91.05485	36.7
93.07047	68.2
95.04977	9.6
95.08612	42.4
97.06538	16.5
99.08083	2.5
105.07035	14.6
107.04955	4.2
107.08599	28.6
109.06496	6.2
109.10164	3.1
111.08083	5.0
117.03397	4.6
117.07031	15.3
119.08559	3.5
121.06521	10.4
121.10121	10.7
123.04427	3.0
123.08035	2.0
123.11726	2.5
131.08569	14.6
133.10147	22.6
135.08028	4.4
135.11711	32.7
145.02852	6.9
149.05989	2.9
149.09618	2.1
149.13274	17.8
150.09161	8.1
151.11200	3.4
159.11694	19.2
165.05499	2.6
174.46561	1.5
177.05508	10.9
177.12752	12.6
180.09343	2.2
195.11923	3.3
195.13782	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	4.3
54.01240	0.9
55.01865	4.0
55.05265	1.3
55.05517	18.6
56.96555	3.9
57.03439	7.8
57.07067	4.7
59.32292	1.2
64.68027	1.0
65.03929	3.9
66.98647	1.1
67.05507	63.9
68.96348	1.3
69.03425	3.7
69.06719	1.6
69.07069	18.6
70.06590	2.0
70.32530	4.0
71.01358	2.5
71.05012	6.0
72.08140	2.0
79.05494	50.7
81.03420	26.5
81.07059	100.0
82.07407	1.5
83.04980	21.5
83.08623	10.9
84.08138	2.0
85.02893	3.8
85.06567	5.3
87.04419	1.1
89.03919	9.9
89.06017	4.2
91.05483	35.9
91.52654	1.2
93.07047	63.8
93.77544	1.1
94.07407	1.2
94.09461	1.0
95.04971	13.3
95.08611	37.3
97.06535	17.6
98.09643	1.1
99.04475	1.7
99.08090	2.2
103.05479	1.9
105.04504	1.9
105.07020	13.0
107.04958	5.5
107.08596	29.9
109.06519	4.5
109.10153	5.5
109.98991	1.2
111.04471	1.3
111.08093	6.5
113.09650	1.1
114.69409	1.1
117.03383	21.4
117.07030	13.0
119.04927	6.5
119.08568	6.1
121.06509	11.3
121.10132	10.2
123.04436	10.8
123.08035	1.9
123.11695	1.6
130.96341	1.8
131.08585	15.2
133.09225	2.0
133.10141	20.3
134.03642	2.7
135.04405	4.5
135.06885	1.9
135.08063	6.7
135.11690	27.8
137.09616	1.8
138.06621	1.4
139.07527	1.5
145.02855	35.6
147.04413	3.0
148.97351	2.6
149.02269	1.1
149.05995	10.1
149.09607	2.8
149.13269	19.8
150.05569	1.5
150.09140	20.3
151.11133	2.9
153.09091	2.0
153.12717	1.1
153.97809	1.3
159.11705	18.4
162.03140	1.6
163.03952	6.5
165.05492	7.3
165.07002	4.5
167.07085	1.2
167.08572	2.0
167.14340	1.2
171.98961	2.4
177.05482	44.2
177.12762	13.3
180.09355	3.5
195.02875	5.6
195.06483	3.8
195.08461	3.1
195.11702	9.4
195.13800	17.9
195.15529	2.4
196.09615	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03933	3.8
55.01869	2.9
55.05259	1.3
55.05512	14.4
56.96553	3.1
57.03434	7.9
57.07053	2.1
65.03926	4.6
67.05509	51.2
68.96333	1.3
69.03424	1.2
69.07070	14.6
69.91457	4.2
71.01336	1.7
71.04992	7.0
72.08129	2.3
77.03927	1.6
79.05492	34.7
81.03422	9.5
81.07060	100.0
82.07395	1.4
83.04993	10.7
83.08620	7.4
84.08132	1.6
85.06532	3.9
89.03918	11.6
89.06031	3.1
91.05482	29.1
93.07050	58.1
95.04981	10.1
95.08614	45.6
97.06534	11.4
97.10146	1.6
99.08093	1.6
101.75529	1.2
103.05480	2.1
105.04550	1.3
105.07027	11.4
107.04948	5.1
107.08600	26.5
109.06514	4.5
109.10164	5.4
111.04471	1.5
111.08085	5.4
115.05462	1.7
117.03388	23.3
117.07021	9.8
119.04931	6.7
119.08574	3.8
121.06514	8.2
121.10145	8.9
123.04440	12.2
123.08066	14.9
123.11677	1.4
125.05985	1.7
129.07040	1.4
130.96355	2.8
131.08574	9.8
131.27104	1.1
131.96136	1.4
133.10143	17.9
134.03610	2.8
135.04393	3.5
135.06906	2.4
135.08054	6.5
135.11702	36.9
137.09525	2.0
139.07516	1.5
145.02847	39.7
147.04401	4.6
148.97351	3.7
149.06003	11.7
149.09612	2.6
149.13271	16.6
149.97191	2.8
150.09145	24.9
151.11150	3.1
153.97903	1.7
158.76453	1.4
159.11700	16.5
163.03934	7.1
165.05484	7.6
165.06995	10.8
166.07722	1.6
167.07245	1.1
167.08517	6.3
171.98930	1.9
172.92522	1.1
172.98872	1.3
173.18976	1.2
174.08038	2.8
177.05482	51.7
177.12741	14.3
177.16386	1.8
179.08496	1.8
180.09361	7.5
183.08542	3.4
186.05466	1.3
195.02994	6.1
195.06494	3.2
195.08344	4.6
195.10175	1.1
195.11699	27.0
195.13792	18.7
195.15591	1.9
196.09706	3.8
210.47240	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.08057	0.9
53.03943	3.9
54.42846	0.8
55.01874	3.6
55.05521	12.3
57.03437	3.1
57.07076	1.7
65.03939	2.6
67.05509	55.3
67.22697	0.8
69.03436	1.9
69.07073	13.1
69.09820	0.8
70.06599	1.0
71.01361	2.3
71.05001	6.4
73.02896	1.2
77.03905	1.1
79.05496	37.4
81.03432	9.7
81.07063	100.0
83.04980	9.6
83.08624	9.0
85.06552	4.2
89.03935	4.9
91.05489	25.3
93.07051	60.8
95.04974	8.1
95.08614	40.8
95.09235	1.1
97.06541	9.4
99.08097	1.6
103.05480	1.6
105.07033	9.5
107.04983	2.8
107.08601	22.2
109.06520	2.6
109.10145	3.0
111.08128	5.4
111.08752	0.9
113.05983	0.8
117.03381	9.9
117.07029	11.7
119.04951	2.5
119.08591	3.0
121.06505	5.2
121.10142	10.5
123.04454	3.8
125.05979	0.9
130.96333	0.8
131.08575	11.3
133.10158	15.2
134.03638	1.3
135.04445	2.2
135.08160	4.2
135.11697	34.5
139.07512	1.4
145.02866	14.4
147.04414	1.7
148.97371	1.7
149.06004	5.3
149.09622	2.1
149.13261	20.2
150.09148	11.3
151.11218	1.8
153.09041	1.3
153.97910	1.1
159.11693	16.0
163.03941	4.1
165.05501	2.7
165.07047	2.4
167.06967	1.1
167.08568	1.7
177.05487	20.5
177.12773	11.9
180.09351	2.0
195.02937	1.0
195.06564	1.8
195.08272	1.5
195.11771	4.4
195.13838	15.0
195.15527	1.8
196.09770	0.9
196.17062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.41449	1.2
53.03940	5.0
55.01865	4.2
55.05517	18.0
57.03433	4.9
57.07065	2.5
65.03934	3.2
66.87876	1.3
67.05508	60.8
69.03448	2.2
69.07072	17.4
70.90466	3.8
71.01352	3.1
71.04993	6.4
73.02913	1.4
79.05497	45.4
81.03420	22.6
81.07060	100.0
83.04989	14.3
83.08624	8.8
84.71277	1.2
85.02901	1.7
85.06545	4.9
89.03912	8.4
91.05485	44.4
93.07050	62.8
95.04967	10.2
95.08611	34.0
97.06531	11.5
97.10203	1.8
99.08114	2.0
103.05480	1.3
105.07039	13.1
107.04971	6.7
107.08598	26.0
109.06522	4.8
109.10177	4.2
111.08084	6.5
117.03384	17.8
117.07028	13.0
119.04955	2.1
119.08598	3.7
121.06522	8.9
121.10155	10.5
123.04439	4.9
123.11720	2.1
125.09641	1.4
131.08572	14.2
133.10132	27.6
134.03624	2.8
135.04381	2.6
135.08070	5.9
135.11703	33.2
139.07578	1.5
145.01752	2.2
145.02856	30.5
148.97343	1.6
149.06007	9.0
149.09656	2.0
149.13268	17.9
150.09125	8.2
151.11189	4.7
159.11722	14.3
163.03940	5.6
165.05664	2.3
165.07060	3.5
167.07065	2.3
167.08693	1.5
177.05496	38.8
177.12746	12.4
177.16495	1.2
180.09346	2.6
192.52669	1.2
195.02933	3.9
195.06633	2.3
195.08211	2.5
195.11746	6.6
195.13814	21.7
195.15515	1.7
201.94057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00301	0.8
53.03944	2.5
55.01875	2.5
55.05516	6.3
57.03445	1.4
57.07072	2.5
61.52769	0.7
61.82964	0.7
65.03951	1.6
67.05500	5.0
68.96306	0.7
69.03432	1.8
69.07072	8.7
71.04996	2.7
71.55471	1.0
77.03943	0.7
78.04706	1.3
79.05497	18.4
79.05967	0.9
81.03410	1.3
81.07058	14.4
83.04996	1.8
83.08636	3.2
84.73261	0.6
85.06554	3.1
89.03914	10.5
89.06030	0.7
91.05483	11.8
93.03413	0.7
93.07043	10.3
95.04980	7.3
95.08606	13.2
97.10184	2.4
98.09697	0.7
99.08069	3.3
103.05474	9.7
105.04546	0.9
105.07041	13.8
106.04185	1.6
107.04959	100.0
107.08594	12.7
109.03904	0.6
109.06525	3.9
109.10159	6.3
109.98885	1.1
110.10497	0.8
111.04449	2.2
111.08109	1.8
111.11745	1.3
114.43050	0.6
115.05445	7.9
116.06324	0.6
116.79941	0.6
117.03384	21.4
117.07038	2.6
117.49775	0.6
119.04960	2.6
120.05737	2.8
121.01116	2.1
121.02882	1.0
121.06505	3.2
121.10146	13.1
123.04439	6.7
123.08118	0.8
123.11675	1.6
124.05234	2.2
125.05977	2.0
125.09641	2.3
131.04944	1.0
133.02899	0.9
133.06482	0.9
134.03625	3.0
135.04428	4.0
135.05302	0.7
135.08057	24.7
135.11659	3.9
137.05963	4.8
137.09622	0.8
137.13264	2.0
139.03908	2.1
139.07549	0.8
139.11209	1.4
145.02847	37.5
145.06534	0.9
145.07628	1.6
147.04416	4.0
148.05229	1.4
148.97404	0.8
149.00580	1.0
149.05978	10.3
149.09639	1.4
149.13283	1.5
150.09140	9.6
151.03903	0.8
151.07599	0.9
151.14825	0.8
152.04732	1.8
153.05466	1.3
153.09119	0.8
154.06248	6.5
162.03156	1.5
163.03912	5.0
163.07550	30.7
165.05495	4.3
165.06848	0.9
167.07050	34.8
168.07446	0.8
177.05476	45.5
177.12737	0.8
177.16423	11.4
178.05891	0.6
180.07828	6.1
180.09267	1.0
180.66013	0.6
195.01118	4.5
195.02898	1.4
195.06480	2.2
195.08299	2.1
195.10165	30.3
195.11595	1.4
195.17467	4.8
196.09753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02373	0.4
53.03934	1.6
55.01869	2.2
55.05513	3.0
57.03427	1.2
57.07071	0.8
65.03948	6.0
67.05500	4.3
68.99776	0.5
69.03423	1.6
69.07066	4.2
70.06599	0.4
70.77612	1.0
71.04985	1.0
72.08121	0.5
78.04673	0.6
79.05064	0.7
79.05495	10.4
81.03406	1.6
81.07059	9.2
83.04981	1.2
83.08624	1.5
84.08163	0.5
85.06530	0.7
89.03919	8.1
89.06055	0.6
91.05483	9.3
92.10471	0.4
93.03408	6.5
93.07047	8.1
95.04980	4.0
95.08607	6.7
97.06519	1.2
97.10190	0.9
98.09680	0.5
99.08089	2.1
101.54539	0.5
103.05470	22.9
104.06316	0.5
105.03384	0.5
105.04520	0.8
105.07036	10.4
106.04174	0.6
107.04958	34.3
107.08591	6.3
109.02874	1.6
109.06515	1.3
109.10161	1.6
109.98963	0.5
111.04446	5.9
111.08067	1.5
113.09686	0.5
115.05460	4.2
117.03382	16.5
117.07014	2.2
119.04962	2.7
119.08588	0.8
120.05728	2.4
121.02844	0.4
121.06533	3.4
121.10144	5.6
123.04440	2.8
123.11705	0.5
124.05226	2.6
125.05979	1.7
125.09641	1.3
131.04932	5.2
131.08539	1.1
133.06502	1.0
133.10135	1.3
134.03645	2.9
134.10461	0.5
135.04434	4.2
135.08060	19.6
135.11687	3.9
137.06015	0.8
137.09592	0.5
137.13255	1.6
139.03906	28.7
139.07498	1.1
139.11151	0.5
145.02847	28.0
145.06549	0.7
145.07643	1.1
147.04395	2.0
148.05193	0.7
149.05981	8.0
149.09639	0.7
149.13263	1.4
150.09169	5.2
153.05519	1.0
153.09088	0.9
154.06252	100.0
155.06580	0.7
159.11697	1.2
162.03128	0.4
163.03947	4.8
163.07549	30.3
164.08134	0.5
165.05513	2.2
165.07016	1.9
167.07086	5.8
167.08485	0.8
177.05473	32.7
177.08766	0.7
177.12740	1.0
177.16403	5.0
178.05771	0.5
180.07817	1.7
180.09331	1.3
186.05507	0.8
195.02913	1.4
195.06561	2.9
195.08197	1.6
195.10168	8.7
195.11755	2.9
195.13803	1.6
195.15625	0.7
195.17416	1.9
196.09665	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.03946	1.1
55.01885	0.8
55.05521	1.4
56.19320	0.5
56.19584	0.5
61.81140	0.4
63.02397	0.8
65.03935	0.7
67.05517	1.1
68.96349	0.5
69.03424	0.7
69.07059	0.7
69.57071	2.8
70.06592	0.5
70.94250	0.5
71.04998	0.9
72.08136	0.9
78.04713	0.6
79.05518	2.5
81.03426	1.0
81.07055	1.9
83.01344	1.2
83.04976	1.0
84.08159	0.8
89.03922	23.1
89.06020	1.2
91.05485	4.7
93.03407	0.9
93.07061	2.8
95.04981	2.2
95.08615	1.2
98.09686	0.5
103.05494	1.7
105.07038	1.7
106.04178	2.0
107.04975	4.4
107.07915	0.4
107.08611	2.3
109.06535	1.0
109.98996	0.5
111.04441	1.6
111.08082	1.9
117.03388	46.9
117.07065	0.5
119.04955	1.1
121.06507	3.1
121.10149	1.9
123.04422	2.0
123.08122	0.7
124.05216	0.8
125.06011	2.0
130.96289	0.8
131.04909	0.5
131.08575	0.9
133.06529	0.6
134.03645	7.8
135.04433	7.7
135.08034	2.7
135.11685	1.3
137.05949	1.0
137.09668	1.1
138.06653	0.7
139.03903	0.6
139.07567	2.5
145.02858	83.5
146.03186	0.6
147.04451	0.9
148.97363	1.0
149.05989	22.3
149.09645	1.7
150.09161	2.7
150.10216	0.4
152.06239	0.6
152.53812	0.4
153.04378	0.5
153.05461	3.0
153.09090	0.5
153.12769	0.6
153.97861	0.7
162.03168	2.5
163.03923	9.2
163.06422	0.5
163.07675	0.7
164.08383	0.6
165.05521	1.1
167.07082	0.6
167.08571	0.6
171.98959	0.9
177.05481	100.0
177.16408	0.8
178.05820	0.7
186.05518	1.2
195.01237	0.7
195.02893	1.6
195.04741	0.4
195.06506	1.9
195.08510	0.8
195.10179	0.9
195.11780	0.8
195.13838	1.4
195.15311	0.7
211.17609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
53.03946	1.3
55.01877	0.7
55.05510	1.0
65.03932	1.6
67.05502	1.2
68.34226	0.7
68.96321	1.2
69.07043	0.7
70.06598	1.1
70.80530	1.7
72.08159	1.4
78.04679	0.9
79.05503	4.1
81.03415	1.5
81.07068	1.1
84.08147	1.8
89.03922	27.5
89.06052	0.8
91.05478	4.1
93.03388	0.9
93.07047	1.8
95.04963	2.8
95.08607	0.8
103.05476	2.1
105.07040	0.9
106.04178	2.4
107.04955	15.0
107.08630	1.1
109.06519	0.7
109.98974	0.8
111.04454	1.4
117.03383	49.3
119.04981	1.3
121.06515	2.1
121.10201	0.6
121.11304	0.7
123.04459	3.2
125.05975	1.7
130.96336	1.9
134.03653	7.5
135.04424	10.2
135.06795	0.8
135.08070	0.9
138.03125	0.9
139.03955	1.1
145.02850	90.0
147.04433	1.2
148.97401	3.4
149.02333	0.7
149.04779	1.1
149.05984	23.1
149.09648	1.1
150.09145	5.7
153.05486	19.2
153.97977	2.0
160.49290	0.6
162.03142	2.7
163.03917	16.5
165.05489	1.8
167.11896	0.7
171.98936	2.9
177.05479	100.0
184.07037	0.6
186.05537	1.3
195.02902	2.9
195.06454	2.3
195.08035	1.1
195.10063	1.0
195.11578	0.8
196.09793	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.03948	0.7
55.05517	2.8
57.03450	0.8
63.02371	0.6
65.03940	0.7
66.58500	0.4
67.05506	1.5
68.96306	0.6
69.03427	1.1
69.07076	2.5
69.63839	1.0
69.64257	2.1
70.06577	0.6
72.08173	1.0
77.80054	0.4
78.04705	0.8
79.05479	2.6
81.03419	0.9
81.07059	1.5
82.02942	0.5
83.04977	3.1
84.08150	0.6
89.03918	26.7
91.05480	5.1
93.03409	1.5
93.07060	2.3
95.04958	2.3
95.08617	1.0
99.05599	0.5
103.05470	1.9
105.07026	1.7
106.04166	1.6
107.04950	3.6
107.08582	1.4
109.06529	1.1
109.10165	0.7
110.09725	0.8
111.04437	2.1
111.05566	3.8
111.08074	0.6
117.03384	47.4
117.07029	0.8
119.04939	1.7
119.08611	0.7
121.06510	4.3
121.10172	1.1
122.09639	1.1
123.04430	2.0
125.06123	2.3
125.07113	2.1
126.05511	1.7
130.96274	0.7
131.04926	0.6
131.08566	0.7
133.08611	0.6
134.03651	7.0
135.04427	7.5
135.06810	0.9
135.08046	5.1
135.11726	0.5
137.05957	1.1
137.09616	1.7
138.06729	1.2
139.05023	4.2
139.07562	0.4
145.02850	87.5
145.56049	0.5
146.07286	0.6
147.04385	0.9
148.97328	1.1
149.05992	24.5
149.09598	1.1
150.09164	4.3
153.01817	0.6
153.05481	3.0
153.09119	0.9
153.12752	1.5
153.98026	0.6
158.06010	0.6
162.03133	2.1
163.03914	11.1
163.07562	3.3
165.05495	1.8
165.06915	0.6
167.06993	0.5
167.08615	0.5
167.11864	1.4
171.98923	1.0
177.05475	100.0
178.05795	0.8
180.09258	0.6
186.05502	1.6
195.02834	1.9
195.06624	2.8
195.08255	1.0
195.10078	1.4
195.11467	1.5
195.15015	1.1
196.09575	0.6
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	Dihydrostrobiline
Peak:m/z	Relative Intensity
53.03938	0.6
55.01867	0.7
55.05507	0.7
55.11637	0.5
56.05020	1.4
67.05494	0.9
68.05033	4.0
70.06595	9.5
70.66238	0.5
70.71961	0.9
70.72334	1.1
74.02452	1.0
79.05067	0.5
79.05502	7.4
80.05010	1.8
80.06274	3.7
81.07063	9.9
91.05499	2.6
92.04975	0.7
93.05795	3.5
93.07044	4.3
94.06569	3.7
95.04995	0.7
95.08593	1.0
97.06502	1.1
100.03912	0.5
103.05463	0.6
105.07038	6.2
106.06564	5.9
107.07339	2.1
107.08595	1.7
108.08114	2.0
114.05536	4.0
117.03352	0.7
118.06567	0.7
119.07324	1.4
119.08550	0.7
120.08110	10.6
121.08907	2.6
121.10131	1.8
122.09673	2.8
131.08562	4.2
132.08061	0.8
133.08890	1.7
134.09665	5.5
137.04724	1.2
145.02847	0.8
146.09650	1.7
148.11214	37.4
149.12012	3.8
150.12836	0.7
152.07098	1.2
164.07079	15.7
165.07889	3.3
166.05032	1.1
166.08606	2.6
166.12312	4.5
176.03406	1.0
177.05482	1.2
178.08665	3.6
179.09381	1.5
192.10222	7.9
194.04630	1.3
194.11777	100.0
195.12039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.32228	1.7
53.03937	5.0
55.01863	6.2
55.05510	14.3
57.03416	2.8
57.07081	6.7
59.05001	1.8
65.03917	3.6
67.05506	24.7
69.03417	4.0
69.07069	19.5
69.22995	13.9
69.23391	2.9
70.06583	1.6
71.04986	3.8
79.05495	26.1
81.03420	40.9
81.07052	27.1
83.01341	1.7
83.04984	6.7
83.08634	10.0
85.06540	3.6
91.05482	35.5
93.07047	25.8
95.04971	25.5
95.08608	37.7
97.02888	1.6
97.06513	4.6
99.08102	3.2
103.05460	12.4
104.06263	2.2
105.07034	92.5
106.07335	2.2
107.04933	6.2
107.08594	28.3
109.06511	10.1
109.10157	28.9
111.04451	1.3
111.08073	3.3
115.05478	13.9
116.98598	1.5
117.07018	5.7
118.04160	8.1
119.04964	1.9
119.08582	81.8
120.08899	1.7
121.06525	3.6
121.10137	14.0
123.04472	1.8
123.08076	12.7
123.11695	4.0
125.12601	1.4
128.06221	1.7
129.07050	6.7
131.04927	2.2
131.08566	7.7
132.05725	2.1
133.02841	8.6
133.06500	54.0
133.10133	89.5
135.08081	3.1
135.11694	29.5
137.06024	3.3
137.09625	18.8
142.07791	2.3
143.04912	1.8
143.06030	3.5
145.10147	7.3
147.04387	2.8
147.08049	6.6
147.09123	1.4
147.11684	32.6
148.11176	1.8
149.02348	2.8
149.06064	2.6
149.09621	3.6
149.13251	8.5
151.07558	3.2
151.11218	4.0
151.14822	5.2
157.10164	3.8
160.12518	2.8
161.05977	48.3
163.07620	1.7
165.05365	3.1
165.09090	2.7
173.04364	1.4
175.03781	1.3
175.07544	2.9
175.11183	5.9
175.14833	100.0
176.15169	2.3
178.02625	4.3
178.07729	1.6
193.03209	3.2
193.04936	24.9
193.08607	25.9
193.10181	2.8
193.12128	13.2
193.15918	34.3
194.08214	2.9
194.11728	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01870	3.8
55.05513	40.9
57.03428	5.3
57.07071	5.6
67.05508	58.6
69.03419	5.4
69.07078	17.8
71.04986	2.2
71.12917	2.8
71.13242	3.5
79.05502	32.2
79.58560	2.0
81.03426	31.9
81.07063	57.2
83.04987	56.5
83.08604	7.7
85.06537	9.2
87.74708	2.0
91.05495	28.8
93.07056	32.9
95.04974	22.8
95.08055	3.4
95.08619	51.2
95.83834	1.8
97.06538	3.4
99.08115	14.3
103.05490	15.3
105.03403	2.2
105.07039	92.1
107.04947	3.4
107.08603	36.5
109.06512	17.5
109.10156	87.6
111.08103	6.1
115.05464	16.7
117.06979	2.7
118.04189	7.9
119.08587	76.1
121.06541	2.6
121.10144	21.9
123.04464	2.6
123.08081	10.3
123.11731	14.3
123.12541	2.6
131.08598	6.4
133.02856	7.9
133.06505	54.4
133.10139	66.9
135.08072	3.1
135.11699	39.1
137.09625	100.0
142.07768	2.5
143.06064	5.3
145.10147	3.6
147.04416	2.8
147.11684	14.3
149.13303	8.6
151.11229	7.0
151.14920	3.9
161.05997	54.1
165.05487	3.2
165.16399	7.0
175.07629	3.7
175.11298	5.2
175.14856	61.4
178.02638	4.7
193.04982	17.6
193.08621	12.7
193.12242	4.6
193.15924	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.06732	2.7
51.67768	2.3
53.03947	8.1
53.51716	2.7
55.01842	3.8
55.05517	32.9
57.03431	5.0
57.07066	5.7
65.03941	4.6
67.05514	52.3
69.03429	7.5
69.07078	23.8
69.71209	12.8
71.04991	7.4
79.05507	29.0
81.03419	26.1
81.06586	3.4
81.07064	63.3
83.04993	39.7
83.08628	8.6
85.06557	8.2
91.05486	28.3
93.07062	37.8
95.04973	14.5
95.08617	51.0
97.06551	7.0
99.08096	17.5
100.28924	2.5
103.05488	9.0
105.07040	100.0
107.08611	47.1
109.06544	14.0
109.10165	84.0
111.08081	5.8
115.05461	8.4
117.06989	3.7
118.04163	5.9
119.08593	99.2
121.10156	28.7
123.08080	11.1
123.11685	11.2
131.05045	3.1
131.08569	10.9
133.02869	5.1
133.06517	46.5
133.10141	86.9
134.10521	2.8
135.11716	39.2
137.09630	62.2
143.06021	3.5
145.10165	5.5
147.11719	27.4
148.19156	2.7
149.13269	12.3
151.11180	2.8
151.14821	4.3
154.01511	2.8
160.12491	3.1
161.06007	46.4
163.14864	5.4
165.05524	4.3
165.16452	7.7
175.11345	3.2
175.14847	88.7
176.15154	3.7
178.02597	6.3
191.35898	2.9
193.04985	18.9
193.06738	2.4
193.08618	11.4
193.12265	9.3
193.15923	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	alpha-Ionone
Peak:m/z	Relative Intensity
51.21270	1.9
53.03956	1.9
53.59731	1.9
55.05507	14.3
57.07078	2.6
58.69277	1.8
65.03953	2.0
67.05507	25.8
69.07072	9.5
70.40442	7.0
71.05023	2.0
77.69063	2.5
79.05502	23.7
81.03426	9.6
81.07063	90.7
83.04992	4.9
83.08637	13.0
85.06544	4.0
91.05479	28.1
93.07047	38.8
95.04965	9.0
95.08614	53.4
97.06533	9.1
99.08118	4.4
105.06387	4.4
105.07043	59.1
107.08598	31.6
109.06505	3.8
109.10146	16.6
111.08108	4.6
117.07025	3.3
117.19648	2.2
119.08586	64.6
121.10165	8.3
123.08101	4.1
123.11740	3.7
131.08592	4.7
133.02913	2.4
133.06499	6.3
133.09148	2.3
133.10138	45.2
135.11703	47.5
137.05992	2.7
137.09651	5.9
146.97588	2.1
147.11694	22.8
149.02367	3.6
149.13281	22.6
152.31874	2.1
161.06001	3.2
175.11276	3.3
175.14842	100.0
176.15144	2.5
178.02689	4.1
178.07744	3.5
193.04942	15.2
193.08543	4.1
193.10175	6.6
193.12245	6.9
193.15877	56.9
193.17628	4.6
194.08148	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	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.05512	7.0
57.03435	2.7
57.07075	2.6
58.85767	0.9
59.04994	2.4
65.03956	1.2
67.05508	9.3
69.03422	2.4
69.07079	7.3
69.53326	1.0
69.57361	2.4
69.57785	5.5
71.04997	100.0
79.05492	7.0
81.03433	5.0
81.07070	14.9
83.04977	2.1
83.08623	2.2
89.22606	1.0
91.05496	11.6
93.07039	10.6
95.04984	5.9
95.08616	16.2
97.02874	1.4
98.20763	2.4
99.08080	1.2
103.05447	3.4
105.07035	28.6
107.08599	16.5
109.06538	6.6
109.10158	17.1
109.61690	1.1
111.08099	1.2
115.05438	3.5
117.07020	2.2
119.04918	1.5
119.08591	35.8
121.09336	1.2
121.10158	17.1
123.08047	5.6
123.11707	12.5
131.08545	3.3
133.06490	11.6
133.10139	46.4
135.11691	13.6
137.06023	1.2
137.09639	7.2
140.33958	1.3
145.10114	3.1
146.10919	1.1
147.04440	1.5
147.11697	13.4
149.13271	5.2
151.11185	13.3
151.14822	3.4
161.06001	12.0
165.12781	2.6
175.11192	2.4
175.14833	59.8
193.04909	5.2
193.08618	8.3
193.10141	2.0
193.12206	3.2
193.15894	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.79834	1.7
53.87591	1.5
55.05523	10.1
57.07071	3.6
59.05015	1.6
59.11169	1.5
61.35355	1.3
65.03929	2.3
67.05510	11.3
69.06724	2.3
69.07071	26.7
69.57299	3.3
69.57706	7.4
71.04993	13.9
76.09800	1.6
79.05502	9.4
81.03413	3.1
81.07064	22.2
83.04969	1.5
83.08608	3.6
85.06547	10.4
91.05492	9.7
93.07058	28.5
95.04973	34.7
95.08614	23.8
95.87826	1.8
96.70297	1.8
97.06526	3.5
97.10181	7.5
98.20840	2.9
99.08089	4.0
105.07043	15.0
107.07861	2.4
107.08595	32.5
109.06528	100.0
109.10165	14.1
111.08075	6.6
119.08588	27.6
121.10133	6.1
123.08038	9.6
123.11710	20.8
133.02827	2.2
133.06488	2.3
133.10143	27.9
134.93854	1.4
135.11697	29.6
136.12012	1.6
137.09633	16.6
147.08072	1.5
147.11694	6.5
149.02373	6.8
149.13269	7.3
151.11156	4.9
161.05995	3.5
164.84781	1.4
175.11206	2.3
175.14845	39.2
178.02768	2.2
193.04958	10.5
193.10114	5.6
193.12157	3.0
193.15892	64.9
193.17665	3.2
194.15370	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	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03941	2.2
54.72557	1.1
55.05525	6.1
55.05757	1.2
57.07071	3.0
59.05008	1.0
64.46819	0.9
67.05508	12.2
69.07074	14.7
69.22800	9.2
76.80392	1.0
79.05495	5.9
81.03427	9.2
81.07061	10.2
83.04976	1.1
83.08608	3.9
89.74287	0.9
90.27052	1.2
90.45290	1.2
91.05483	10.1
93.07059	7.7
95.04987	5.3
95.08610	23.6
97.06537	1.3
105.07036	22.6
107.08602	10.1
109.06501	3.3
109.10160	20.4
115.05495	1.8
117.06992	2.3
119.08585	57.1
121.10168	6.5
123.08057	5.4
123.11724	2.8
128.78198	1.2
131.08583	3.5
133.02899	1.7
133.06488	4.7
133.10135	71.7
134.10802	1.1
135.11707	18.7
137.09641	7.7
145.10138	5.0
147.11703	19.2
149.13232	6.5
151.11163	1.7
151.14822	4.8
159.11700	1.4
160.12500	3.0
161.05995	3.6
175.14839	100.0
176.15279	2.0
193.04974	2.8
193.08533	3.1
193.12241	1.7
193.15932	21.5
193.90457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
52.35246	1.5
53.03949	3.7
55.01879	9.3
55.05511	8.9
55.64212	1.5
57.03421	5.4
57.07073	3.9
65.03932	5.2
67.05508	52.5
68.50548	1.5
69.03427	5.0
69.06779	1.4
69.07073	15.7
69.79723	6.9
71.04986	6.6
73.02905	1.8
79.05495	45.9
81.03423	12.3
81.07061	52.3
83.04987	8.8
83.08594	3.0
83.22303	1.5
85.06532	5.0
91.05485	96.5
93.07049	35.6
95.04966	19.6
95.08614	24.7
97.02900	9.6
97.06526	19.1
99.08092	3.0
103.05482	3.7
105.07034	83.0
107.04957	9.5
107.08595	15.5
109.06521	22.0
109.10150	9.1
111.08104	1.8
113.06001	6.3
115.05464	5.5
116.06313	1.5
117.06974	3.2
118.04239	1.8
119.04885	1.9
119.08588	67.3
121.10125	10.2
123.08083	4.8
123.11682	2.8
128.06213	1.9
129.07013	26.4
131.08566	22.1
133.06522	16.2
133.10133	100.0
135.11702	7.9
137.05992	2.7
137.09634	4.5
142.07777	8.4
145.10144	2.0
147.08025	5.9
147.11693	89.1
148.11992	2.1
149.02353	3.9
149.09641	17.5
149.13271	2.8
151.07542	2.6
151.11197	3.1
151.14857	2.0
157.10138	52.6
161.05992	16.3
165.09109	2.0
165.12779	9.6
175.11195	66.7
175.14825	27.4
176.03445	1.6
178.02588	2.2
193.05025	7.9
193.08508	8.1
193.10393	3.2
193.12242	62.1
193.15924	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	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02380	0.9
53.03951	7.1
55.01878	7.4
55.05516	18.5
57.03446	5.0
57.07064	2.6
59.04988	1.3
60.11533	0.8
61.36629	0.8
65.03925	3.4
65.70885	0.9
66.49638	0.8
67.05508	43.0
67.87910	0.8
68.87050	0.8
69.03442	4.1
69.06734	1.1
69.07077	18.8
70.36629	3.2
71.05000	7.7
72.08150	1.1
73.69543	0.9
77.03930	1.2
79.05499	41.7
79.05965	2.1
81.03423	85.6
81.07059	33.4
83.04986	9.4
83.08627	15.3
85.02895	1.1
85.06526	3.2
91.05486	61.1
93.07052	40.3
95.04976	45.7
95.08608	21.2
97.02879	3.1
97.06538	11.1
97.10146	1.1
99.08097	2.3
99.34367	0.8
103.05505	4.3
104.06213	0.9
105.07038	64.3
107.04966	10.4
107.05638	1.3
107.08595	14.4
108.05730	0.9
109.05784	1.3
109.06520	19.9
109.10161	18.4
111.04439	2.1
111.08086	5.7
115.05471	8.4
116.06235	1.3
117.07036	4.9
118.04131	2.8
119.04969	1.8
119.08593	51.0
121.06490	3.2
121.10142	10.4
123.04447	0.9
123.08067	15.4
123.11685	3.7
128.06216	2.1
129.07001	16.3
131.04929	1.9
131.08577	19.7
133.02847	2.0
133.06519	25.2
133.10138	100.0
135.08080	1.6
135.11703	18.8
137.05948	2.5
137.09634	11.8
142.07776	4.7
143.06020	1.5
145.10126	3.5
147.08089	6.5
147.11700	37.5
149.09630	18.1
149.13243	3.0
150.03108	1.1
151.07532	1.0
151.11211	2.1
151.14848	2.4
154.32098	0.9
157.08936	1.7
157.10146	18.5
160.05276	1.0
160.12555	1.0
161.05997	22.8
165.05400	1.4
165.12738	3.2
173.13229	0.8
174.87553	0.9
175.11206	28.3
175.14835	50.5
178.02579	2.1
178.06268	1.6
178.07729	1.7
193.04959	8.5
193.06984	1.5
193.08609	14.8
193.10217	2.7
193.12236	29.4
193.15897	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.01588	0.7
51.02374	1.0
52.75444	0.8
53.03948	9.9
55.01867	2.4
55.05300	0.8
55.05515	9.4
57.03421	1.6
59.05014	1.4
65.03925	1.9
67.05511	31.4
67.05875	1.5
69.03415	0.8
69.07064	7.6
70.81020	1.0
70.81357	1.8
71.04994	13.0
73.06557	1.3
77.03932	2.9
78.04687	0.9
79.05499	59.8
81.03420	17.1
81.07063	23.7
83.04983	4.4
83.08624	3.5
85.06533	3.5
90.62093	0.7
91.05489	100.0
92.05805	0.7
93.03402	1.0
93.07049	94.7
95.04977	21.9
95.08604	4.3
97.06518	1.8
99.04465	0.8
101.06034	0.8
103.05428	1.1
105.04522	3.3
105.07038	48.6
107.04994	3.8
107.08597	4.9
109.06525	7.1
109.10185	1.9
111.08113	1.8
113.06013	2.2
115.05470	2.7
116.06201	1.2
117.07043	2.4
118.39539	0.9
119.08594	23.0
121.06511	1.6
121.10182	1.9
127.07555	2.3
129.07021	16.4
131.08578	27.1
133.06535	6.7
133.10141	97.5
135.11740	1.2
137.09605	1.3
142.07805	3.8
147.08052	6.5
147.11696	19.7
149.09634	2.7
157.10146	24.7
161.05995	3.5
175.09769	1.5
175.11206	21.1
175.14799	4.9
193.04961	2.9
193.08627	2.1
193.12263	20.8
193.15895	1.1
198.59436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.78072	1.9
53.03939	2.6
55.05513	10.0
57.07063	2.4
67.03012	1.8
67.05515	9.6
69.03419	5.3
69.07072	21.1
71.17043	3.1
79.05503	12.2
81.07056	12.5
83.04974	2.1
83.08617	10.6
87.04504	1.7
88.00511	2.0
91.05495	12.6
93.07052	32.8
95.04947	4.1
95.06120	2.0
95.08060	3.2
95.08618	45.5
97.10150	7.1
105.07034	19.5
107.04948	4.5
107.08598	38.7
108.05573	2.7
109.03962	2.6
109.06484	3.4
109.10161	21.1
111.04431	5.5
111.11766	1.8
111.44521	1.7
117.07016	4.0
119.08596	8.7
121.06499	9.2
121.07631	1.7
121.09318	3.6
121.10146	48.9
122.07246	3.8
123.08036	5.6
123.11687	5.2
130.07776	3.1
131.08582	9.9
133.10150	8.3
135.08055	52.7
135.11710	37.9
136.71548	1.9
137.05946	2.0
141.06735	1.6
143.08548	3.1
145.06433	2.1
145.10138	17.8
146.06001	2.0
147.08096	2.9
147.11687	2.9
148.08810	2.3
149.08228	8.6
149.09474	3.1
149.13275	9.8
155.08580	2.6
158.07248	6.6
161.05992	5.9
161.09633	1.9
163.07498	2.9
163.11179	17.3
163.14879	2.8
173.09621	19.0
173.13278	9.0
174.10165	2.0
175.07538	2.1
176.08331	19.0
191.06950	4.3
191.10672	100.0
191.14320	24.0
191.17961	47.5
192.06514	2.2
192.12500	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.99328	1.3
53.03940	2.8
54.20528	1.1
55.01867	1.4
55.05515	16.9
57.03443	1.7
57.07076	4.3
59.64862	1.1
60.81200	1.3
62.79765	1.0
67.05505	17.4
69.03421	4.2
69.07076	41.4
79.05074	1.4
79.05502	17.7
81.07065	29.8
83.04974	4.1
83.08633	15.7
91.05488	16.5
93.07053	57.4
95.04977	3.9
95.08617	80.6
97.06515	2.2
97.10184	9.4
103.05450	1.9
105.07037	18.7
107.04946	3.1
107.08605	69.3
107.97272	1.1
108.05567	1.5
108.08942	1.9
109.06519	4.3
109.10165	52.1
110.07163	2.4
111.11716	2.5
117.07013	4.2
119.08588	10.5
121.06523	6.6
121.10155	91.3
122.07202	1.4
123.08084	4.3
123.11704	7.8
125.08266	1.9
126.06580	1.5
129.07007	1.8
130.07803	1.7
131.08586	14.4
133.10136	15.5
135.08083	12.9
135.11703	69.0
143.08582	1.5
145.06425	1.5
145.10135	9.0
147.08018	1.5
147.11723	6.1
148.08743	1.3
149.08206	3.8
149.09615	8.7
149.13272	19.2
158.10918	4.3
163.03729	1.3
163.11093	1.5
163.14867	4.3
173.09700	1.4
173.13290	13.7
175.07550	1.8
176.11981	2.2
191.06973	2.9
191.09209	2.7
191.10687	8.8
191.14336	44.2
191.17964	100.0
192.12567	1.7
192.14458	1.7
192.18350	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03947	2.8
55.01865	1.8
55.05514	25.3
57.07072	6.2
58.66070	1.3
59.83392	1.0
62.09530	1.1
67.05502	18.6
69.03424	3.6
69.07071	43.8
70.09866	5.3
70.10216	2.1
71.04977	3.0
79.05058	2.0
79.05494	24.1
79.78101	1.4
81.03441	1.7
81.07059	31.3
83.04957	2.6
83.08624	17.5
91.05480	22.4
93.07047	62.6
95.04982	4.2
95.08610	71.5
97.06541	1.7
97.10159	11.5
103.05473	2.5
105.07046	23.8
107.04957	5.9
107.08597	86.8
109.06515	4.7
109.10159	52.1
111.11720	2.2
115.61261	1.2
117.07020	4.8
119.08583	9.6
121.06498	2.8
121.10147	100.0
123.08083	4.2
123.11723	9.6
129.07007	2.3
130.07770	1.4
131.04941	1.8
131.08580	16.7
133.10132	23.9
133.11086	1.8
135.04393	1.8
135.08084	11.4
135.11694	75.5
136.12030	1.4
143.08562	3.2
145.10118	8.7
147.08047	2.1
147.09157	1.5
147.11716	7.1
149.09668	6.3
149.13261	24.5
151.79974	1.4
158.10922	3.5
161.09644	1.6
163.07579	2.3
163.11119	2.7
163.14859	3.5
173.09659	2.7
173.13283	14.9
191.07034	4.5
191.10658	12.6
191.14319	38.0
191.17970	89.3
192.10246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.90430	0.7
52.35819	0.7
53.03941	2.5
55.05515	10.9
57.07062	3.1
58.03223	0.8
67.05510	11.6
69.03412	0.7
69.07073	31.6
69.87467	0.7
71.56252	0.9
79.05495	12.0
81.07066	16.2
83.04985	0.8
83.08619	11.6
91.05491	7.7
93.07053	44.9
95.04973	1.5
95.08613	66.6
96.08909	0.7
97.10179	9.0
105.07038	5.8
107.04929	0.7
107.08601	48.0
109.06509	2.3
109.10163	30.5
111.11705	1.2
113.50912	0.7
117.07016	1.2
119.08585	3.2
121.06503	1.3
121.10152	63.2
122.10448	1.0
123.08080	1.5
123.11723	5.4
130.07797	0.7
131.08543	2.7
133.07495	0.8
133.10155	3.9
135.04420	0.7
135.08078	3.4
135.11700	51.6
145.10135	2.7
146.06088	0.7
147.11713	2.4
148.08749	1.0
149.09567	1.3
149.13275	13.8
158.10953	0.8
163.14827	2.4
173.09613	2.1
173.13248	3.2
191.08383	1.3
191.10728	2.3
191.14366	11.1
191.17960	100.0
192.18344	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.01851	2.3
55.05510	19.2
57.03435	2.5
57.07071	4.9
62.42833	2.0
67.05505	21.5
69.03405	3.4
69.07073	33.4
71.01649	3.1
79.05501	16.3
81.03442	2.5
81.07056	30.0
83.04990	3.2
83.08616	22.5
91.05485	17.8
93.06470	3.9
93.07050	54.3
95.04951	3.1
95.08609	72.1
97.06614	2.0
97.08883	2.4
97.10153	8.8
105.07039	18.4
107.04900	4.6
107.08596	66.3
109.06542	4.0
109.09453	3.7
109.10160	45.8
110.10512	2.3
115.05470	2.3
116.53207	2.3
117.06995	5.4
118.98207	2.3
119.08598	12.8
121.06468	3.9
121.10148	80.1
123.08057	3.3
123.11720	8.2
131.08557	15.0
133.10170	15.4
135.08070	10.1
135.11697	71.8
145.10110	16.0
147.11702	5.4
149.09557	6.0
149.13277	20.7
150.02731	2.9
153.86110	2.7
153.87579	2.6
163.11192	4.8
173.09628	3.8
173.13254	15.4
176.11705	2.8
191.08781	4.0
191.10648	11.9
191.14337	43.5
191.17957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03938	3.2
53.30386	1.1
54.13084	1.3
55.05265	1.8
55.05513	21.6
57.07064	6.1
57.07303	1.2
58.91174	1.3
60.87430	1.2
61.14170	1.3
65.03929	1.7
67.05511	20.3
69.03433	3.8
69.07070	45.6
70.71634	3.9
71.04980	1.7
73.52994	1.3
75.57768	1.2
79.05502	22.0
81.07063	22.3
83.05007	2.9
83.08622	20.2
91.05486	16.4
93.07049	60.3
95.04971	3.1
95.08611	88.3
96.08950	1.6
97.06544	2.2
97.10181	10.9
105.07043	13.6
107.04981	2.4
107.08602	78.7
109.06519	6.0
109.10164	58.3
111.11768	2.7
117.06991	3.6
119.08589	9.7
121.06511	2.6
121.10149	100.0
123.08085	3.3
123.11687	7.7
131.08566	12.9
133.07669	1.6
133.10133	11.6
135.08092	14.4
135.11700	71.9
145.10168	7.7
147.11687	5.3
149.09645	4.9
149.13266	20.6
158.10934	3.2
163.11136	3.0
163.14812	5.2
173.09602	1.7
173.13237	12.1
176.12074	1.6
191.06952	2.5
191.08542	2.6
191.10678	4.8
191.14316	40.2
191.17958	96.6
192.06622	2.2
192.18246	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20472	1.8
55.01880	1.7
55.05515	8.9
57.03430	2.6
57.07060	3.3
65.03932	2.0
65.67467	1.5
66.90282	1.6
67.05514	8.7
69.03432	13.8
69.07076	13.1
71.04990	6.3
71.10118	3.6
79.05509	15.2
81.07059	15.1
83.05009	8.1
83.08614	5.0
85.06518	3.6
91.04964	2.5
91.05488	28.9
93.07043	19.8
95.04955	7.4
95.08615	12.8
97.06535	9.0
103.05437	4.2
105.07043	55.2
107.04947	3.8
107.08607	42.8
109.06524	12.1
109.10161	15.7
111.08114	3.6
115.05431	3.3
116.06230	3.5
117.07015	9.2
119.08595	35.1
121.06493	6.8
121.10156	30.0
123.08071	12.4
123.11703	3.3
129.07036	7.5
130.07825	2.4
131.04944	3.8
131.08586	51.2
133.10144	76.0
135.08055	32.6
135.11678	6.5
143.08572	11.9
144.09335	7.0
145.10126	33.8
147.04742	1.7
147.08093	1.5
147.11699	30.5
149.09630	31.1
149.13249	16.8
150.10381	4.4
158.10928	19.5
161.09636	2.9
163.07561	4.2
163.11226	3.2
163.14856	5.3
173.13277	66.0
174.47015	1.5
176.11951	1.9
191.06958	9.8
191.10701	4.4
191.14311	100.0
192.14699	1.7
197.59584	1.7
213.86758	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01854	3.2
55.05502	4.7
57.03421	1.2
66.91032	1.3
67.05176	1.5
67.05508	21.9
69.03416	5.5
69.07075	9.0
69.20935	9.8
69.21358	4.5
70.25983	1.5
71.04994	18.2
71.55571	1.2
79.05496	13.0
81.07070	11.4
83.04985	3.5
83.08617	3.9
83.79744	1.2
85.06552	6.8
91.05469	20.1
93.07054	14.6
95.04978	11.5
95.08609	16.4
97.06561	6.5
103.05446	4.4
105.06389	2.3
105.07039	33.4
107.08604	43.4
109.05795	1.9
109.06532	28.4
109.10160	83.8
111.08083	2.4
115.05501	1.8
116.06247	1.6
117.07017	6.2
119.06055	1.8
119.08580	14.4
121.06490	5.5
121.10139	32.9
123.08079	17.2
129.07002	4.7
130.07829	2.5
131.04912	2.0
131.08571	43.7
133.06465	1.5
133.10130	30.4
135.08055	77.9
135.11684	3.7
143.08571	5.6
144.09386	2.9
145.10138	16.3
147.08012	3.6
147.11714	13.7
148.05180	1.9
148.08781	2.1
149.09621	16.0
149.13278	9.1
150.10373	4.0
158.10878	12.2
161.09645	3.9
163.07501	2.5
163.11147	2.3
173.13268	49.9
176.04657	2.0
176.11974	2.2
191.07016	6.6
191.10670	5.9
191.14313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03932	1.2
55.01864	2.0
55.05510	9.0
57.03416	1.3
57.07059	3.9
62.30365	1.2
65.03912	1.3
67.05503	8.9
69.03143	1.1
69.03438	13.4
69.07077	12.4
70.84616	3.7
71.04985	4.5
79.05075	1.2
79.05495	15.9
81.03394	1.4
81.07062	19.7
82.42750	1.4
83.04977	10.8
83.08611	3.5
85.06545	5.0
85.17205	1.2
91.05486	16.9
93.07053	31.8
95.04970	5.6
95.08057	1.9
95.08614	27.3
97.06515	8.7
103.05489	2.5
105.07032	35.3
107.04961	16.3
107.08598	67.5
109.06532	18.2
109.10157	6.7
111.08055	4.7
116.06282	1.5
117.06999	6.0
119.08595	18.0
121.06507	35.3
121.10146	53.8
123.08083	19.7
129.07005	3.4
131.07565	2.6
131.08565	37.2
133.10135	36.5
135.07098	2.2
135.08055	27.0
135.11621	5.6
136.08849	1.4
137.09634	2.3
143.08516	7.5
144.09328	4.0
145.10129	15.5
147.11679	17.9
148.08818	1.5
149.09631	30.1
149.13249	16.5
158.10921	10.4
163.11185	5.1
163.14845	13.2
173.13277	42.8
191.07005	1.6
191.14310	100.0
192.14700	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
53.54041	1.2
54.88743	1.3
55.01865	1.4
55.05499	3.6
57.07067	1.2
67.05495	3.1
69.03429	10.6
69.07069	6.5
69.34852	1.1
69.35152	11.6
71.04985	1.5
79.05495	6.1
80.30901	1.3
81.07048	5.8
83.04990	8.8
83.08611	3.2
84.61396	1.3
85.06535	2.6
85.86371	1.3
88.41591	1.2
91.05495	11.1
91.10618	1.3
93.07056	10.1
95.04975	3.8
95.08591	6.0
97.06524	5.7
105.07037	28.4
107.08607	22.1
109.06520	3.9
109.10167	3.1
111.08057	1.7
115.05464	1.3
117.07021	4.4
119.08594	16.0
121.06500	4.7
121.10155	17.6
122.07272	1.3
123.08059	5.7
129.07016	2.3
131.08575	24.4
133.10143	59.3
135.08066	16.4
135.11726	4.1
136.08781	1.6
143.08566	6.0
144.09325	2.4
145.10126	12.9
147.11693	9.4
149.09631	7.9
149.13263	10.1
150.10365	3.8
158.10915	12.9
161.09674	3.8
163.14803	2.2
173.13274	34.1
176.11896	1.7
191.07076	1.6
191.14322	100.0
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
52.24858	0.8
53.03948	1.2
55.05503	5.8
57.07054	2.7
58.80025	0.9
67.05508	5.6
69.03429	17.1
69.07074	10.9
70.70972	2.2
71.04990	2.4
79.05488	9.6
81.07053	7.5
83.04984	10.3
83.08602	2.3
85.06537	1.1
91.05483	14.1
92.06815	1.1
93.07040	11.9
95.04969	2.6
95.08604	9.5
97.06537	6.7
103.05453	2.8
105.07034	31.5
107.04949	1.6
107.08598	34.9
109.06503	3.9
109.10162	3.9
111.08079	1.9
115.05468	2.7
116.06216	1.3
117.07029	5.7
118.04128	1.1
119.08581	25.9
121.06527	7.4
121.10149	21.6
123.08074	8.1
129.07014	4.6
130.07779	2.3
131.04945	1.8
131.08572	31.4
133.06477	1.0
133.10132	35.3
135.08060	18.8
135.11664	5.2
137.09618	1.9
143.08583	8.7
144.09276	2.3
145.06512	1.1
145.10124	16.0
147.11700	16.7
149.09616	16.8
149.13269	16.6
158.10919	14.5
160.05147	1.3
161.09607	3.2
161.13234	3.9
163.07489	1.7
163.14850	5.8
171.11676	2.1
173.13268	40.0
176.11902	1.4
191.06992	3.0
191.14302	100.0
192.14691	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.01863	2.4
55.05523	7.7
57.03444	1.4
57.07066	2.1
58.97487	1.2
59.05004	2.1
65.80265	1.2
67.05518	6.7
68.68780	1.2
69.03451	11.1
69.07072	10.6
70.90234	2.5
71.04994	3.7
79.05500	9.4
81.07049	6.6
83.04982	10.9
83.08614	4.7
85.06535	5.1
91.05491	19.2
93.07056	14.8
95.04957	3.8
95.08621	8.4
97.06554	7.4
103.05460	1.6
105.07043	41.2
107.08601	38.9
109.06525	7.0
109.10149	9.8
116.06217	1.9
117.07013	5.9
119.07792	2.0
119.08579	21.9
121.06511	7.6
121.10145	24.5
123.08067	7.1
123.11729	3.0
129.07051	2.3
130.07813	2.2
131.08575	37.7
133.10138	78.4
135.08063	19.2
135.11684	6.0
143.08582	10.2
144.09326	3.7
145.10133	21.8
147.11714	19.4
149.09634	10.9
149.13268	14.8
158.10918	14.4
161.09607	4.1
163.11082	1.6
163.14827	3.8
171.11633	1.8
173.13281	57.4
191.07030	4.4
191.14316	100.0
192.14488	1.3
197.08159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Damascenone
Peak:m/z	Relative Intensity
51.46422	1.0
53.03924	2.1
55.05496	4.5
57.07069	1.3
67.05518	6.2
69.03436	18.6
69.07071	13.6
70.46808	4.6
79.05489	8.4
81.07051	7.6
83.04976	4.9
83.08611	1.5
85.06535	2.5
91.05485	14.8
93.07046	13.4
95.04936	2.7
95.08619	10.6
97.06528	4.5
103.05444	1.9
105.07030	29.3
107.04951	5.0
107.08596	22.2
109.06510	11.0
109.10148	2.7
111.08073	3.6
115.05496	1.3
117.07010	4.3
119.08580	37.3
121.06506	8.3
121.10143	23.2
123.08059	6.4
129.07043	2.6
131.05019	1.4
131.08580	19.2
133.10133	13.8
135.08047	20.0
135.11691	4.8
137.09579	1.6
143.08559	3.9
145.10124	9.3
147.11690	11.8
148.86186	1.3
149.09625	61.7
149.13258	7.7
150.10347	2.5
156.05006	1.3
158.10907	8.6
160.05132	1.8
161.09621	2.2
163.11194	3.3
163.14810	3.4
173.13269	29.0
176.11940	3.3
176.56076	1.1
187.25972	1.1
191.07094	2.6
191.14307	100.0
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03940	6.3
55.01862	3.6
55.05513	18.1
56.13184	2.1
57.03429	10.8
57.07078	5.5
59.05005	3.0
63.59681	2.5
65.03925	2.6
67.05505	17.6
69.03415	5.8
69.07070	25.4
69.59260	4.8
69.59669	11.1
71.04984	4.1
78.87042	2.9
79.05143	2.4
79.05509	30.4
81.07062	35.4
83.04967	7.8
83.08610	8.9
84.20496	3.1
85.06513	4.8
91.05489	62.8
93.07052	58.8
95.04964	6.9
95.08611	48.6
97.06527	5.7
97.10179	4.5
103.05510	4.4
105.06403	3.2
105.07044	53.0
107.04958	4.4
107.08605	90.9
109.06540	11.3
109.10165	22.7
110.07114	2.2
111.08092	3.2
115.05459	5.0
116.06182	3.2
117.07034	24.0
119.06125	3.0
119.08588	94.7
121.06502	8.6
121.10141	66.5
122.07287	2.4
123.08057	7.3
123.11732	3.8
129.07018	5.5
130.07768	3.5
131.08582	98.0
133.10143	29.4
134.43129	2.2
135.07111	4.4
135.08063	55.9
135.11688	39.6
143.08577	3.3
145.10136	49.3
146.06142	2.6
147.11671	17.1
149.08304	5.3
149.09596	19.2
149.13257	14.1
158.10910	9.1
163.11205	11.1
163.14854	13.1
173.09637	7.8
173.13269	100.0
176.08295	6.1
191.08456	3.2
191.08792	3.6
191.10672	34.3
191.14316	87.2
191.17966	41.2
201.85112	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	2.5
53.59822	1.0
55.05519	10.9
57.07074	2.9
57.99969	1.0
67.05510	11.5
69.03437	17.1
69.07072	28.4
70.37135	1.0
70.61701	2.8
71.04975	1.8
79.05492	14.8
81.07062	15.3
82.30489	1.2
83.04996	6.6
83.08625	7.0
85.06548	2.7
91.05492	17.4
93.06473	1.7
93.07050	27.6
95.04959	3.4
95.08613	29.9
97.06525	4.1
97.10172	2.3
103.05445	2.1
105.07038	33.3
107.04953	4.3
107.08603	44.5
109.06538	9.1
109.10163	16.9
111.08089	6.2
116.06236	1.4
117.07024	6.5
119.06108	1.1
119.08589	28.8
121.06497	5.2
121.10150	42.6
121.11044	2.2
123.08055	6.6
123.11681	2.1
129.07042	2.0
130.07797	1.3
131.08572	18.4
133.07571	1.9
133.10139	18.3
135.08066	23.3
135.11696	22.9
137.09686	1.1
143.08563	4.4
144.09326	2.1
145.10117	11.9
147.08060	1.3
147.11682	13.9
148.08778	1.4
149.09631	42.1
149.13254	12.7
150.02713	1.5
150.10349	2.9
158.10905	7.9
161.09618	2.7
163.11186	2.0
163.14821	4.7
173.09645	1.6
173.13280	28.8
176.12071	2.5
191.03333	1.3
191.07010	1.5
191.10669	4.8
191.14322	100.0
191.17963	24.5
192.06717	1.2
192.14798	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03934	4.8
55.01867	2.7
55.05511	10.8
56.55660	1.4
57.03430	3.5
57.07060	4.4
59.04970	2.0
65.03951	2.5
67.05513	15.4
69.03089	1.7
69.03436	28.4
69.07071	12.9
71.04969	2.6
71.20766	3.3
71.21100	2.0
77.03924	1.7
79.05498	49.6
81.03419	1.8
81.06582	2.4
81.07059	49.6
83.04979	12.8
83.08614	3.1
84.71510	1.3
85.06555	3.5
91.04963	2.3
91.05489	26.2
93.07047	24.2
95.04984	9.8
95.08617	18.6
97.06534	5.1
103.05495	6.9
105.04538	1.5
105.07036	31.0
107.04964	29.5
107.08603	74.5
109.06530	10.1
109.10155	11.2
111.08084	4.3
115.05425	1.7
116.06277	1.5
117.07005	5.9
119.08591	17.8
121.06507	13.9
121.09322	2.2
121.10146	26.8
122.07233	2.2
123.08051	7.8
123.11681	1.6
129.07008	2.2
131.04909	3.9
131.08566	20.8
133.10141	78.7
135.08063	19.6
135.11726	9.8
137.09627	19.1
143.08578	5.7
144.09265	1.5
145.06523	1.4
145.10155	16.1
147.08083	1.7
147.11737	10.0
148.05232	3.4
149.09637	12.0
149.13274	18.6
150.10344	1.5
156.71481	1.5
158.10947	9.0
161.09616	3.0
161.13284	2.6
163.07561	6.4
163.11218	3.7
163.14828	5.5
173.09662	4.4
173.13283	30.6
176.04614	2.3
176.11926	1.5
191.07033	8.9
191.10750	7.5
191.14322	100.0
191.17932	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	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
63.91378	0.2
70.06560	0.2
70.18754	0.2
70.48647	0.5
70.49001	0.4
76.92295	0.2
89.03927	1.0
97.10666	0.2
103.59166	0.2
116.04980	3.3
134.06010	0.3
143.03888	0.2
144.04478	0.6
144.08092	0.4
150.22083	0.2
162.05510	100.0
163.05911	1.4
190.05000	33.1
191.05281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01857	3.7
55.05508	6.5
56.05025	2.3
56.96568	93.8
57.03434	11.4
57.07056	1.9
58.06587	2.9
58.99865	1.5
59.04997	2.2
60.04514	3.7
60.95832	3.2
61.02937	6.6
65.03923	1.6
67.05495	4.3
67.53642	1.1
68.05019	1.8
69.03132	1.2
69.03439	14.9
69.07052	5.1
70.03759	1.8
70.06599	10.2
71.01365	6.6
71.04981	3.6
71.06939	1.9
71.54596	1.8
71.95262	2.3
72.08171	8.2
72.44142	1.1
72.93781	2.6
73.02930	9.8
73.06554	2.3
74.06092	1.9
74.81273	1.2
74.97597	5.4
75.04457	3.9
77.00876	2.3
79.05470	3.9
81.03409	5.5
81.07045	2.8
82.06601	1.1
83.04941	3.3
83.08626	2.3
84.04494	4.3
84.08161	5.7
84.96029	4.4
85.02905	19.1
86.06069	1.3
86.09715	6.2
86.97597	1.3
87.04459	3.2
87.10028	1.6
90.94786	1.6
91.05466	8.7
93.07034	4.5
94.06573	6.0
95.04955	2.5
95.08585	2.7
97.02902	16.9
98.03203	3.3
98.09646	1.2
98.97591	56.2
99.01966	1.7
99.04443	2.2
99.97898	2.6
100.02483	3.1
100.99141	8.3
101.00847	2.9
101.02391	2.6
102.96928	1.4
103.00613	1.3
103.03991	5.9
103.05459	3.6
104.01260	1.4
105.07023	4.7
107.04945	5.4
107.08579	6.8
107.46490	1.3
109.02872	2.0
109.06496	2.3
109.10133	1.6
110.01271	4.2
110.07159	3.8
110.97598	10.1
112.99138	8.9
115.03935	2.0
115.05419	1.8
116.01279	2.0
116.98625	30.5
117.01859	3.1
117.07047	3.3
117.08094	1.3
117.98877	1.2
118.03490	1.6
119.00170	7.2
119.01871	9.4
119.04933	4.0
119.08569	2.8
120.08061	1.3
120.97896	1.3
121.01613	2.7
121.02882	2.6
121.06525	4.5
121.10117	4.1
122.06001	2.1
123.04437	2.6
123.11701	1.2
124.07576	2.9
126.02476	1.7
127.03897	3.4
128.02312	5.0
128.98599	12.1
129.10251	2.4
130.52580	1.8
131.00188	30.5
131.01794	2.6
131.03458	3.1
131.04887	4.9
131.08559	5.0
132.06607	1.9
132.95851	2.6
133.01695	1.8
133.03506	1.4
133.06429	1.9
133.10138	5.6
134.99672	11.7
135.04430	3.4
135.08043	4.5
135.11705	2.6
136.07573	1.9
137.02884	1.3
137.05986	2.9
140.02319	1.9
140.07074	2.0
143.00188	3.5
143.01881	2.9
144.13847	1.8
144.98145	2.1
145.01714	1.5
145.03448	4.6
145.06473	4.5
145.07536	1.5
145.10143	3.9
145.14232	7.5
146.02325	3.3
146.06158	2.1
146.99670	9.1
147.03319	1.6
147.04382	6.3
147.11702	1.7
148.03905	2.4
149.01231	100.0
149.05922	2.4
149.09602	2.8
149.13251	2.7
149.96136	1.4
150.96884	4.8
155.04651	4.3
157.03360	1.8
158.10933	1.6
158.99664	9.8
159.04413	1.7
161.01224	4.9
161.02934	4.5
162.99112	1.9
163.03931	4.3
163.06133	1.4
163.07533	3.7
163.11148	1.4
163.12321	5.4
165.00778	1.8
167.02284	41.5
167.05653	1.6
167.57921	1.2
167.97186	2.9
168.04996	2.8
170.99695	4.9
172.02798	3.6
173.01254	2.3
173.02795	2.1
173.05914	1.8
173.07208	1.4
173.13304	5.7
176.04666	2.2
177.00761	7.3
185.03151	2.1
186.00786	1.3
186.02982	2.0
189.00735	3.9
189.07069	1.3
190.07809	1.7
190.98672	2.5
191.02071	7.6
191.06819	7.6
191.08665	9.5
191.11861	17.8
191.14278	20.0
195.44063	1.3
201.00729	3.1
209.01326	1.4
209.03175	2.0
213.00624	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	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.81251	0.5
53.03934	1.4
55.05509	6.9
57.07051	1.1
57.87304	0.5
58.83468	0.5
58.93376	0.7
64.25716	0.5
65.03924	1.0
67.05500	6.4
69.07071	9.2
71.56112	0.8
72.08142	1.0
75.43756	0.5
79.05499	5.7
79.08792	0.5
79.94836	0.6
81.07059	12.2
83.05000	0.6
83.08618	3.7
84.04491	1.4
85.04807	1.3
91.05487	14.0
93.07050	8.8
93.51039	0.5
95.04985	0.8
95.08610	24.8
98.08987	0.5
103.05431	0.8
105.07034	39.8
107.08600	12.7
109.06543	1.0
109.10142	5.4
115.05448	1.3
117.06995	2.9
118.07820	0.8
119.08585	57.6
120.08911	0.9
121.10142	6.5
123.11838	0.5
128.06216	1.5
129.07018	0.8
130.07822	0.6
131.08582	8.3
133.10136	56.6
134.10857	0.7
135.11668	1.3
143.08565	1.4
145.06461	1.0
145.10129	10.3
146.10922	3.9
147.08070	1.7
147.11691	37.9
156.09337	2.3
159.07997	0.7
159.11670	5.0
160.12509	4.0
161.05959	1.7
161.09668	1.2
161.13266	10.3
171.08121	0.7
171.11655	2.6
174.10414	0.7
174.14067	2.9
186.27040	0.7
187.14816	0.6
189.05461	1.9
189.09111	2.5
189.12791	9.5
189.16388	100.0
190.08653	0.8
190.16704	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62741	0.2
56.96565	1.6
57.07071	1.0
58.22813	0.2
58.99877	0.9
69.03429	0.3
69.96223	0.8
70.06609	0.2
71.95261	0.2
77.00900	0.6
81.03410	0.5
85.01424	0.2
86.99310	0.2
98.97585	3.3
100.02483	0.8
101.00899	0.6
101.02545	0.2
102.00942	0.4
103.02441	0.8
104.01933	0.3
105.00372	0.3
115.02435	0.8
116.98628	4.3
118.03544	0.4
119.01145	0.3
119.01933	3.7
120.02013	3.0
121.01691	0.9
121.03474	0.4
127.02455	0.2
129.04004	1.1
131.00208	0.3
131.01894	0.4
133.03462	0.6
134.99669	3.4
137.02969	1.2
137.53351	0.2
138.03056	1.3
139.02400	1.3
141.04010	0.4
142.03506	1.2
143.01939	0.3
143.03604	0.2
144.04974	0.3
144.99780	0.2
145.03467	1.6
146.02888	0.2
146.47856	0.2
147.05058	1.0
148.05164	0.5
149.01015	1.3
153.00745	0.6
155.47919	0.3
157.03479	3.9
159.01405	0.4
159.43198	0.3
160.04556	0.3
161.02905	0.2
162.06105	0.2
163.04547	0.4
167.00432	0.6
167.01891	7.9
167.59705	0.4
168.01978	0.3
168.05077	0.8
175.04588	0.6
176.60350	0.3
177.00951	0.8
179.10497	0.7
180.05122	0.2
181.03516	0.3
184.04590	0.3
185.02969	100.0
186.03143	2.9
186.06012	0.2
186.97552	0.2
187.03296	0.3
187.99246	0.4
190.03603	1.5
190.06203	0.3
190.08698	0.5
195.98256	0.5
196.97964	0.2
199.04555	1.7
199.50142	0.5
203.04021	18.7
204.04219	0.5
208.02614	0.4
208.04581	7.4
209.04810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05052	1.5
57.04561	10.3
58.06623	0.9
60.08169	24.8
67.05506	2.7
67.73519	0.5
70.06597	100.0
70.95512	1.3
71.05011	2.0
71.06937	0.9
72.08163	8.0
73.08488	1.2
74.02457	0.9
74.07207	32.6
80.46694	0.5
84.08149	99.7
85.06557	0.9
86.09719	0.8
88.07663	0.8
97.07639	1.2
97.42876	0.7
98.20821	0.7
100.07633	1.5
100.36828	0.6
101.00891	0.9
101.07966	1.0
105.59271	0.5
108.55644	0.6
112.08726	2.3
112.89612	1.7
113.07118	0.7
113.11496	0.6
113.56796	0.5
114.09142	0.6
114.89355	2.0
115.08714	7.1
115.09467	1.1
116.07101	36.8
119.01937	2.5
126.10265	1.5
127.58733	0.7
130.08653	37.9
131.03677	0.8
133.09744	3.7
144.11336	18.8
144.13824	2.6
146.01295	0.6
151.51506	0.7
158.09248	7.5
159.03296	1.0
161.02957	0.7
171.12436	0.7
172.10832	6.5
172.15321	1.4
177.04286	1.0
189.13463	32.7
189.15991	16.6
189.17709	1.2
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
55.05502	1.5
55.62280	1.3
63.71663	1.4
69.03426	5.5
69.38862	9.3
69.39266	3.0
70.06587	2.3
79.05442	1.6
91.05476	6.6
93.83031	1.5
99.01105	1.5
105.07043	11.5
107.08586	2.9
115.05418	2.1
117.07026	5.0
119.08582	20.7
128.06238	3.4
129.07065	2.8
130.07791	4.1
131.08585	7.5
133.10138	5.1
141.06975	10.6
143.08563	6.3
144.09326	3.2
145.10158	17.9
147.08025	8.1
147.11702	16.4
155.08539	4.0
156.09360	60.9
159.08044	4.8
159.11690	15.0
161.09581	2.1
161.13235	1.8
171.11710	78.8
171.24226	1.5
174.10416	6.6
189.12762	100.0
190.13002	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1348
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
55.01880	1.9
55.05519	1.7
56.05041	1.7
56.96564	3.0
56.96799	0.4
57.03440	3.2
57.04561	9.4
58.06596	1.0
58.99863	0.4
59.05002	0.6
60.05645	0.5
60.08169	21.1
61.02919	0.9
65.47692	0.4
67.05518	2.2
69.03434	1.5
69.07095	0.4
70.06598	100.0
70.77561	0.9
71.01358	1.0
71.04996	3.2
71.06941	0.6
72.08161	26.7
73.02917	1.9
73.08499	1.2
73.42901	0.4
74.02431	0.8
74.07208	33.8
81.03434	1.5
83.01334	1.0
84.04497	1.1
84.08150	87.7
85.01427	0.5
85.02907	1.9
85.06545	1.3
85.08488	0.9
86.00661	1.5
86.03711	0.8
86.06089	0.5
86.09711	4.0
87.04469	1.3
88.07643	1.3
95.01322	0.4
97.02910	1.4
97.07675	0.9
98.06049	1.0
98.97585	2.9
99.01966	0.6
99.04428	0.5
100.07623	1.9
101.00916	2.8
101.01743	0.9
101.02364	2.9
101.07964	0.7
103.02438	1.9
103.47474	0.4
105.02211	0.6
106.34143	0.4
108.02455	0.5
109.03012	0.6
110.06056	0.5
112.07635	0.7
112.08727	2.1
113.11563	0.6
114.09150	1.1
114.96278	0.4
115.02470	1.2
115.03941	2.0
115.08694	6.3
115.09524	1.8
116.07101	38.8
116.98637	2.0
116.99821	0.3
118.01098	0.6
118.03674	0.7
118.08649	3.7
119.01926	7.1
120.02081	0.7
121.01659	1.8
126.09190	0.5
126.10287	1.5
127.02489	0.5
127.03928	0.6
128.07040	0.6
129.01843	0.8
129.07426	0.6
129.10226	0.6
129.11148	0.5
130.04947	0.7
130.08652	31.5
131.00140	0.5
131.01903	1.4
131.03612	0.5
133.03496	3.1
133.09750	3.3
134.99626	0.7
137.02997	0.9
137.04373	0.4
143.01817	0.5
143.02788	1.0
143.11784	0.6
144.10324	0.8
144.11327	16.6
144.13795	2.2
145.03477	1.1
146.99666	0.7
147.01334	0.6
147.05080	0.7
149.02824	0.6
151.04527	1.0
157.01341	2.4
157.03464	1.3
158.08028	0.4
158.09277	6.9
159.01387	0.5
159.05081	0.7
161.02988	1.5
162.04031	0.4
165.54466	0.5
167.01956	0.6
171.12288	0.9
172.09637	0.8
172.10867	5.6
172.15329	3.5
177.02489	0.6
177.04105	0.6
178.04910	0.7
185.02950	2.0
189.04205	0.8
189.06096	1.7
189.13449	32.6
189.15984	12.1
189.17892	3.2
190.10692	0.7
193.03830	0.5
197.13528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75790	0.6
53.03938	0.9
55.01889	0.8
55.05500	2.1
65.79851	0.5
67.05499	1.8
69.03430	4.6
69.07062	1.5
69.56049	4.1
70.49740	0.7
79.05492	2.6
81.07035	2.3
83.08639	0.6
91.05486	9.0
93.07058	3.6
95.04971	1.4
95.08633	4.3
98.21530	0.6
103.05457	1.3
105.07035	16.7
107.08598	6.3
109.10165	1.0
112.39837	0.6
114.89015	0.6
115.05445	1.6
116.06252	1.0
117.07018	4.7
119.08595	24.4
121.10154	2.1
128.06244	4.4
129.07019	4.1
130.07805	4.7
131.08586	8.7
133.06503	1.4
133.10150	12.6
133.18063	0.7
135.08018	0.8
135.83846	0.7
141.06995	11.2
142.07755	2.1
143.08562	6.8
144.09320	2.4
145.06465	1.3
145.10141	18.4
146.07260	0.7
146.10866	2.2
147.08057	6.4
147.11703	18.1
149.02316	0.8
155.08549	3.0
156.09363	59.3
159.08081	7.0
159.11699	14.5
160.08806	1.4
161.09689	1.5
161.13326	4.0
171.11707	66.8
172.11992	1.5
174.10432	7.4
189.12756	100.0
189.16342	12.1
190.13121	2.7
201.09972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01868	7.8
55.05498	3.1
57.32161	0.8
65.03940	1.9
67.05510	14.5
69.03411	1.1
69.07070	6.7
70.61792	2.6
79.05067	1.1
79.05499	17.6
81.03436	1.0
81.07060	13.4
83.04968	1.3
83.08616	1.7
85.06514	1.4
86.92539	0.9
91.05484	82.6
93.07058	11.0
95.04954	2.6
95.08611	8.7
97.06515	3.9
103.05482	2.0
105.07039	36.5
107.04931	3.7
107.08585	4.8
109.06491	1.5
109.10207	0.8
111.04453	1.0
111.08073	1.4
115.05438	3.1
117.07022	11.9
119.08585	24.4
121.06537	4.1
121.10140	2.9
123.08088	1.3
128.06198	5.4
129.07002	35.1
130.07742	2.6
131.08592	4.8
133.06453	2.4
133.10144	20.2
135.08051	2.1
141.07004	1.0
142.07742	1.3
143.08562	19.4
145.09052	1.4
145.10127	22.9
147.08051	8.5
147.11707	12.4
149.02327	1.6
156.09335	4.9
159.11694	1.6
160.12534	1.0
161.05930	1.2
161.09613	3.7
161.13249	14.3
169.10109	1.4
171.11697	48.1
174.10489	1.1
189.09111	2.9
189.12744	100.0
189.16347	10.9
190.13074	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1236
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
52.88052	0.3
55.05511	0.5
56.96566	3.2
57.03438	0.4
57.04565	0.6
58.06596	0.3
60.08168	1.0
63.96491	0.3
64.96001	0.3
65.84129	0.3
66.01321	0.3
69.03432	0.5
69.07069	1.1
70.06597	5.2
70.93649	0.8
72.08167	4.9
73.02905	0.4
73.08490	0.4
74.07204	1.6
84.04519	0.4
84.08153	3.7
85.02897	0.7
86.09712	100.0
87.10059	0.8
89.91331	0.3
90.32487	0.3
91.05480	0.3
97.02892	0.8
98.97595	2.4
99.54787	0.3
100.07594	0.5
101.02401	0.5
105.07009	0.5
107.04963	0.9
110.97556	0.4
115.03939	0.5
115.09536	0.5
116.07107	1.4
116.98637	1.7
118.08678	0.9
118.72959	0.3
119.01884	0.5
122.96928	0.3
128.98596	0.6
130.08656	1.5
134.99684	0.3
139.51530	0.4
143.05032	0.3
144.11339	1.0
147.11678	0.4
148.65308	0.3
161.06042	0.6
162.05560	0.5
172.15344	0.7
189.05502	0.4
189.07094	0.5
189.09029	0.3
189.12428	1.3
189.13730	0.6
189.16071	0.7
189.17877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.7
53.03953	1.0
55.01872	5.7
55.05509	3.2
55.67177	0.5
57.03418	0.7
65.03935	1.7
67.05173	0.9
67.05509	12.8
69.03427	1.2
69.07066	4.4
71.04971	0.9
76.44915	0.5
77.03926	0.9
78.40440	0.5
79.05499	15.0
81.07060	9.8
83.04981	2.0
83.08613	0.9
84.04491	1.1
85.04808	1.0
85.06549	1.1
91.01347	0.6
91.05486	59.2
92.05811	0.6
93.07051	8.1
95.04975	4.0
95.08611	5.0
97.06537	3.0
103.05488	2.4
105.07035	36.1
107.04971	3.5
107.08618	3.3
109.06564	2.8
115.05412	2.7
117.07028	13.7
119.04955	0.9
119.08591	18.8
121.06524	3.3
121.10143	1.6
123.08059	1.3
128.06224	9.4
129.07011	32.1
130.07837	3.2
131.08586	6.6
133.06494	3.6
133.10138	17.8
134.07286	0.8
135.08031	1.8
141.06958	1.8
142.07788	1.8
143.08566	22.7
145.06438	0.8
145.10135	28.0
147.08063	9.7
147.11707	12.5
148.08913	0.6
149.02296	0.6
156.09338	3.6
159.11700	1.6
160.08813	0.6
161.05936	0.8
161.09645	12.3
161.11957	0.9
161.13264	11.5
169.10065	0.8
171.08058	1.7
171.11707	44.8
172.12077	0.9
189.09207	6.4
189.12752	100.0
190.13104	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	189.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01627	1.3
55.01876	22.0
55.05514	5.5
56.05022	1.6
56.96560	3.9
57.03443	26.6
57.04562	8.4
59.04993	4.6
60.08167	19.1
61.02919	3.7
67.05486	2.6
68.99809	1.8
69.03422	1.6
69.99125	1.8
69.99532	3.0
70.06597	100.0
71.01357	13.9
71.04997	5.1
71.42424	1.0
72.08160	55.0
73.02927	12.9
74.02451	1.4
74.06806	1.8
74.07206	32.0
75.04482	1.5
79.61131	0.9
82.06574	1.2
83.01332	4.2
84.04494	2.3
84.08148	92.0
84.99259	1.9
85.02904	4.0
85.06533	1.4
86.09704	3.1
86.95132	1.1
87.00807	1.7
87.04473	21.9
89.02385	2.8
95.01326	4.4
98.06059	1.7
98.21442	1.1
98.97565	2.5
100.07653	1.6
101.00903	3.9
101.01743	5.1
101.02380	40.9
102.05584	1.1
103.00620	1.7
103.02483	2.4
103.03911	3.5
105.07074	1.0
111.00809	5.2
112.07622	2.5
112.08740	3.2
113.02357	4.4
115.02428	2.2
115.03936	39.1
115.08671	5.9
116.07097	37.2
118.08654	5.2
119.01917	9.5
121.01673	2.8
127.00318	1.3
127.02382	1.1
128.07074	4.4
129.01860	13.6
129.07433	2.3
129.10289	1.2
130.05040	2.3
130.08649	34.2
131.01849	1.8
133.03461	3.6
133.09746	3.1
137.02841	1.2
143.01886	1.7
143.03346	4.0
143.11723	1.3
143.12711	1.5
144.10263	2.1
144.11320	17.4
144.13797	1.6
144.99864	1.2
145.03416	1.3
146.99567	1.4
147.02226	1.8
157.01338	38.5
158.09245	5.6
161.02960	2.8
165.00699	1.8
171.12369	1.1
172.09557	1.2
172.10922	5.6
175.02373	2.3
176.69626	1.0
177.02498	1.1
185.02937	2.8
189.02405	1.9
189.03976	1.8
189.08763	1.1
189.13580	27.6
189.15956	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	188.1759
Annotation	N1-Acetylspermidine
Peak:m/z	Relative Intensity
50.03954	1.2
55.01873	2.6
55.05503	2.7
56.96571	9.5
57.03444	3.1
57.04539	1.3
58.06604	40.6
60.04516	3.4
61.02897	1.5
61.90693	1.2
65.21783	1.1
69.03424	3.1
69.07074	1.5
69.92625	4.9
70.06601	19.5
72.04527	12.9
72.08161	100.0
73.02911	1.9
73.08483	1.3
74.07217	2.6
75.09253	1.5
79.05486	1.6
81.03425	2.9
82.06573	2.8
84.04495	5.3
84.08150	42.4
85.02909	3.6
86.09700	2.5
96.08141	2.0
97.02886	4.4
98.21506	1.6
98.97583	12.7
99.04462	1.5
100.07623	56.2
101.02370	3.4
102.05538	1.4
107.10690	1.3
108.71653	1.3
110.06055	2.3
112.10452	1.3
112.11252	32.9
114.05518	5.2
114.09174	87.6
116.07108	6.2
116.98672	5.9
117.10237	4.7
119.01891	3.4
120.02030	1.9
120.05606	1.2
122.06037	1.1
122.61468	1.3
123.01566	1.2
124.07635	1.3
124.11209	1.8
128.07079	3.8
130.08649	4.1
131.01886	1.5
131.11819	10.8
133.03455	1.4
139.14581	1.2
142.03534	1.0
142.04994	3.6
142.07619	1.8
142.08643	3.3
142.12277	4.0
143.11815	4.3
144.11333	1.7
157.01347	2.2
170.06317	1.4
170.08104	3.0
170.11809	2.5
170.16512	2.4
171.14940	100.0
188.03986	2.8
188.07489	1.9
188.09174	2.5
188.10834	3.0
188.12825	8.2
188.17593	87.1
189.13483	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63747	0.8
55.01877	1.7
55.05502	3.4
56.96574	1.7
57.03428	1.9
57.04547	3.3
58.06602	35.7
60.04521	2.7
60.08165	5.2
65.68179	0.7
67.05486	1.3
69.03429	1.8
69.51971	4.6
70.06596	31.8
71.04987	1.2
72.04519	13.5
72.08157	100.0
73.08485	1.2
74.07214	5.9
75.09284	0.8
81.03432	1.2
82.06580	4.4
82.57110	0.8
84.04496	2.0
84.08147	46.2
86.03661	1.2
86.06032	0.9
86.09679	3.1
88.03976	1.5
94.06571	1.1
95.04924	0.9
96.08121	1.0
98.09684	1.5
98.20700	1.4
98.97594	2.0
99.01929	1.3
100.05262	0.9
100.07621	59.2
101.00866	2.2
101.02442	0.8
102.05537	0.9
103.02422	0.9
112.11250	29.2
114.05531	2.7
114.09174	73.5
115.03944	1.6
115.09451	1.1
116.07114	8.5
116.98625	1.0
117.10249	4.4
118.01100	1.0
119.01907	3.5
120.02007	1.3
124.07630	1.1
124.11222	3.9
128.07085	20.9
128.10735	3.4
129.06577	2.0
129.13884	1.9
130.03499	2.5
130.08665	7.0
130.12250	1.5
131.01894	1.4
131.11813	9.7
133.03459	1.6
137.03882	0.9
137.11967	0.8
142.03204	0.8
142.05028	1.0
142.08618	3.7
142.09615	0.8
142.12263	10.8
143.11804	4.6
144.11287	3.7
144.13838	1.1
157.01324	1.3
158.03006	3.0
158.09238	1.7
161.04149	0.9
167.14215	0.8
170.08105	1.8
170.11728	4.1
170.16533	2.0
171.14934	86.1
172.10809	1.0
176.04044	4.0
188.09123	1.3
188.12860	19.5
188.17586	80.9
189.13570	7.3
189.15956	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05499	1.0
56.05038	2.0
57.03434	1.5
57.75421	0.3
58.06601	1.1
58.15279	0.3
59.05004	2.3
60.04518	1.5
61.02932	8.4
67.05505	0.7
68.05018	0.6
69.03425	1.2
70.02975	2.5
70.06615	0.6
71.05000	1.5
72.04521	0.9
72.08163	2.1
75.04487	0.8
79.05508	0.5
79.82814	0.3
81.03419	0.9
82.06594	3.8
83.04987	4.8
84.04512	100.0
84.08117	0.4
85.02912	19.5
85.04847	0.5
86.06070	0.9
87.04480	6.6
91.05508	0.8
91.63662	0.3
92.05841	0.4
96.04522	0.4
98.06060	0.8
100.07637	2.5
103.05446	0.4
104.58908	0.4
105.07058	1.5
107.08588	0.4
110.06058	3.3
111.04464	1.6
112.03943	0.5
112.11294	0.6
114.09174	1.2
115.05490	0.4
118.06574	0.9
119.08604	1.3
126.05511	5.3
128.06221	0.8
128.07091	6.1
129.05507	1.2
129.07079	0.4
131.08539	0.8
132.08936	1.0
134.09689	0.7
142.08693	0.9
142.12352	0.4
143.08563	0.8
143.13135	0.4
144.08989	0.4
145.06497	0.6
145.10158	1.2
146.06032	1.2
146.08148	0.7
146.10466	2.5
147.08067	0.4
147.11676	0.4
156.09399	0.6
159.11586	0.7
160.08430	1.0
160.12094	1.1
161.09621	0.4
170.08151	1.3
171.06598	0.4
171.08029	0.4
171.11711	0.4
171.14995	1.0
173.06001	0.4
173.08322	0.4
173.12962	0.5
174.06738	0.5
188.07874	0.6
188.09274	8.8
188.10834	1.2
188.11858	0.8
188.15457	2.5
188.17595	0.9
188.20122	0.8
189.05493	0.6
189.09230	1.5
189.12791	1.0
189.16473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
56.05032	2.5
57.03434	1.8
58.06593	0.8
59.04996	3.1
60.04524	3.0
61.02938	8.5
63.15250	0.7
67.05506	1.3
68.05029	1.1
69.03431	1.4
69.07069	0.7
70.02954	2.4
71.04999	1.8
71.07413	1.6
72.04523	1.1
72.08148	1.0
73.02902	0.5
75.04478	0.9
80.05002	0.8
81.03414	2.0
82.06594	5.3
83.04997	5.7
84.04508	100.0
85.02910	19.0
86.06049	1.1
87.04470	7.4
87.32102	0.7
91.05484	1.6
95.07424	0.7
96.04550	0.7
98.06071	1.4
100.07613	3.6
101.06045	0.8
102.05500	0.8
105.07050	1.8
105.23252	0.7
110.06020	3.9
111.04440	1.9
114.09176	0.7
115.05475	0.6
117.07092	1.0
118.07400	1.1
119.08584	1.3
126.05515	4.3
128.06203	1.1
128.07085	8.2
129.05487	2.1
132.08936	1.0
133.10162	0.8
134.09612	1.2
142.03198	0.7
142.08678	1.3
145.10136	0.9
146.06024	1.1
146.08144	2.6
146.10510	2.2
147.11781	0.7
152.03900	0.6
170.02718	1.3
170.08206	1.8
173.12903	0.8
188.07358	0.9
188.09227	12.7
188.10735	1.4
188.15181	2.6
189.12740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
53.66288	0.4
55.05514	1.5
56.05037	2.4
57.03428	1.2
58.06590	1.2
59.05018	2.1
60.04527	1.6
60.23582	0.5
61.02646	0.6
61.02930	8.4
61.39053	0.4
65.03947	0.4
69.03427	1.3
70.02961	3.2
70.06598	0.9
71.04991	1.6
71.55074	0.7
72.04507	0.7
72.08160	2.4
74.42665	0.4
75.04498	0.5
79.05497	1.1
81.03426	0.7
81.07063	0.6
82.06576	3.5
83.04990	4.5
84.04507	100.0
84.08150	0.8
85.02908	18.2
85.04858	0.5
86.06087	0.5
87.04474	6.2
91.05495	1.2
98.06059	0.7
100.07616	2.3
105.07059	1.7
110.06047	3.6
111.04475	1.4
112.11227	0.8
114.09196	1.9
115.05482	1.1
118.06589	0.9
119.08598	1.1
126.05544	5.0
128.06219	0.9
128.07079	6.1
129.05493	0.8
130.93584	0.4
131.08604	0.7
132.05281	0.5
132.08060	0.5
132.08929	1.4
133.10170	0.7
134.09607	0.7
142.03223	0.4
142.08644	1.1
145.10188	1.0
146.06015	1.4
146.08136	0.8
146.10503	1.8
147.11617	0.5
160.05159	0.4
160.08447	0.7
160.12054	1.0
161.05977	1.5
161.09686	0.5
170.08180	1.2
171.11703	0.4
171.14973	1.6
173.05913	0.4
174.06693	0.6
188.07753	1.3
188.09277	8.7
188.10760	1.1
188.11691	0.7
188.15160	1.5
188.17628	1.8
189.05551	1.4
189.09167	1.1
189.12787	1.7
189.16512	0.5
205.29108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
52.31342	0.3
55.05513	1.0
56.05032	1.8
57.03427	0.9
58.06581	0.9
59.05005	1.5
60.04524	1.6
61.02932	8.0
68.05032	0.6
69.03422	1.0
69.77479	0.9
69.77898	1.2
70.02958	3.2
71.05000	1.6
72.08149	0.7
75.04485	0.9
81.03418	0.8
82.06599	3.9
83.04987	5.4
84.04510	100.0
84.08150	0.6
85.02910	19.0
85.04848	0.6
86.06088	0.9
87.03986	0.6
87.04475	6.7
91.05473	0.4
92.78089	0.4
98.06084	0.9
100.07622	2.0
110.06050	3.8
111.04478	1.2
114.09232	0.5
126.05523	5.2
128.07092	7.0
129.05508	1.3
133.10114	0.4
134.09746	0.4
142.08701	0.6
144.08961	0.6
145.10147	0.5
146.08153	1.1
146.10536	0.7
170.08188	1.0
188.09229	10.5
188.10728	1.0
188.11905	0.6
188.14246	0.6
188.15135	0.3
188.17653	0.5
189.05380	0.4
189.12869	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05507	1.5
56.05034	2.3
57.03428	1.2
59.05025	2.6
60.04518	2.4
61.02639	0.8
61.02929	8.7
63.68795	0.5
66.34966	0.5
69.03428	1.1
69.21796	4.2
69.22205	1.3
70.02953	2.8
70.06593	0.8
71.04990	1.2
72.04526	0.6
72.08162	1.1
73.22477	0.5
74.06078	0.5
75.04481	0.8
76.44028	0.5
79.40239	0.5
79.64280	0.5
80.57741	0.5
81.03436	0.7
82.06590	3.7
83.04990	4.6
84.04508	100.0
84.08154	0.6
85.02911	19.6
85.04829	0.7
86.06077	1.0
87.04485	4.6
98.06068	1.1
100.07639	2.5
101.06010	0.8
105.07047	1.1
110.06072	3.4
111.04444	1.5
114.09161	0.6
119.08623	0.8
124.07635	0.8
126.05528	5.5
128.07091	7.0
129.05504	1.6
132.08954	0.6
134.09691	0.7
142.03392	0.5
142.08664	1.7
142.12306	0.9
143.08620	0.5
145.10112	0.6
146.08141	1.1
146.10495	1.0
160.09738	0.7
160.12038	0.7
170.08096	1.3
171.11667	0.6
171.14992	0.8
173.08421	1.0
188.04305	0.6
188.07520	0.5
188.09229	10.9
188.10780	2.3
188.14894	1.1
189.12669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
50.70009	0.3
52.04650	0.3
53.26779	0.3
53.80747	0.3
55.05507	0.9
56.05047	2.5
57.03425	1.6
57.15039	0.3
58.06591	0.4
59.05000	2.6
60.04531	1.7
61.02929	8.5
65.03959	0.3
67.04238	0.4
67.05517	0.7
69.03423	0.8
69.81922	1.8
70.02956	2.2
70.06606	0.6
71.01340	0.3
71.05009	1.7
72.04514	0.5
72.08145	0.5
73.81721	0.3
75.04491	0.9
82.06590	3.4
83.04984	4.6
84.04509	100.0
85.02908	19.5
85.03440	0.7
85.04842	0.6
86.06091	1.1
87.04467	5.3
91.05512	0.6
95.08636	0.4
96.04519	0.6
97.83273	0.3
98.06039	0.5
100.00967	0.3
100.07648	1.8
101.06026	0.4
105.07037	0.7
107.10151	0.3
110.06065	3.1
111.04459	1.7
112.04015	0.4
117.57423	0.3
119.08560	0.3
126.05540	5.0
128.07091	5.8
129.05515	1.3
131.08673	0.3
132.08925	0.5
134.00456	0.4
142.08679	0.3
145.10178	0.5
146.08134	0.9
146.10504	0.6
160.12054	0.4
170.02676	0.5
170.08185	1.2
171.06636	0.4
188.07480	0.6
188.09203	9.6
188.10727	1.0
188.15248	0.9
189.09230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
55.62060	0.3
55.87797	0.4
57.68958	0.3
60.75768	0.3
62.49819	0.3
65.10414	0.4
71.31933	0.6
72.08164	0.5
81.32855	0.3
82.21844	0.3
91.05482	4.8
92.38274	0.4
93.02836	0.4
95.05020	0.4
97.77269	0.4
103.05506	0.4
115.05459	6.3
117.05771	1.7
117.07015	4.7
118.06548	72.1
119.06889	0.8
132.08122	0.4
132.63043	0.4
142.06512	5.5
143.07318	11.9
144.04424	1.0
144.08090	26.2
145.08403	0.5
146.06017	100.0
147.06396	0.9
155.06021	0.7
160.07608	1.2
170.06027	9.7
171.14886	0.5
188.07074	20.0
189.07434	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
54.80586	0.4
59.33102	0.4
67.20268	0.4
70.71830	0.8
73.13688	0.4
91.05476	4.9
91.12949	0.4
91.61048	0.4
96.63445	0.5
115.05463	5.9
116.06331	0.5
117.05777	0.9
117.07018	4.2
118.06548	63.2
119.06886	0.5
133.25967	0.4
142.06538	5.6
143.07306	11.9
144.04466	0.8
144.08089	22.1
145.06488	0.6
146.06013	100.0
147.06366	1.2
155.06079	0.8
160.07593	1.3
170.06036	7.8
171.70703	0.4
188.07068	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	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31244	0.3
54.98560	0.3
61.68711	0.4
63.86075	0.3
70.48656	1.0
70.49010	0.4
72.08173	0.6
81.89842	0.4
87.67934	0.4
91.05482	4.2
95.87495	0.4
100.07645	0.4
114.09182	0.5
115.05453	5.5
117.05807	1.8
117.07022	5.3
118.06550	69.1
119.06860	0.9
128.04980	0.4
132.08076	0.7
134.09668	0.4
142.06537	5.8
143.07306	11.9
144.04486	0.8
144.08092	24.9
145.06487	0.6
146.06015	100.0
147.06371	1.5
155.06010	0.8
160.07578	1.3
170.06024	7.8
188.07074	20.1
189.07410	0.6
193.72313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03932	2.5
55.01865	3.2
55.05521	3.8
56.96550	0.8
57.07086	3.5
61.40919	0.8
65.03951	0.8
67.05514	10.9
68.00810	0.7
68.81216	0.7
69.03417	2.6
69.07076	5.5
71.35491	1.0
79.05495	10.8
81.03432	3.9
81.07060	7.6
83.08618	2.3
88.02232	5.4
91.05484	25.7
93.07056	6.0
95.04965	4.6
95.08604	3.2
103.05470	3.2
105.07037	28.0
107.04964	12.9
107.08595	3.0
109.06496	1.0
115.05407	6.2
116.06234	1.8
117.07026	27.9
119.04987	3.4
119.08593	20.2
121.06526	1.7
121.10145	1.4
128.06229	4.2
129.07025	11.4
130.07808	9.2
131.04956	3.3
131.08578	56.2
133.06509	4.2
133.10147	3.3
141.07005	9.0
142.07784	7.9
142.08766	0.7
143.08577	12.7
144.05717	2.2
144.09360	11.7
145.06499	29.9
145.10133	100.0
146.07253	1.4
146.10484	1.4
153.06987	1.5
154.07797	6.4
157.06494	1.8
157.10149	11.5
158.07297	2.9
158.10954	4.9
159.06978	0.7
159.08092	9.0
159.11702	35.2
160.12035	0.9
169.10118	11.6
169.11369	1.0
172.08847	4.6
172.12442	4.3
185.13400	0.9
187.04262	0.8
187.06041	1.2
187.11212	59.4
187.14830	83.2
188.11552	1.3
188.15329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03960	0.6
55.05509	2.4
57.07082	3.8
57.28079	0.6
67.05508	9.3
69.03432	1.1
69.07068	3.2
69.43452	1.5
69.43875	3.5
69.49194	0.5
77.20719	0.5
79.05495	6.7
79.97272	0.5
81.03429	1.1
81.07063	5.8
83.08612	1.8
88.02238	4.5
91.05489	19.2
93.07063	5.4
95.04956	0.7
95.08606	5.0
97.02921	0.6
103.05492	0.7
105.07040	20.4
107.08595	4.1
109.10166	0.7
115.05432	1.9
116.06229	0.8
117.07027	22.3
119.08588	16.1
121.10161	2.8
128.06252	0.9
129.07013	4.7
130.07790	4.8
131.08578	55.9
133.10144	4.8
141.06999	0.7
143.08583	4.2
144.09326	2.3
145.10133	99.2
146.10605	0.9
157.10165	1.9
158.10913	2.0
159.08124	1.1
159.11700	16.0
169.10020	0.7
172.08818	1.0
172.12454	2.4
173.00777	1.2
185.13228	1.0
187.11340	4.1
187.14835	100.0
188.15178	1.7
194.49738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01885	0.5
55.05505	1.2
57.03429	0.3
57.07075	0.4
58.99603	0.3
63.54368	0.2
63.82470	0.3
65.03938	0.3
67.05502	1.7
69.03428	2.2
69.07067	1.0
71.04988	1.0
71.55611	0.3
72.08159	1.2
73.01150	1.2
79.05499	1.9
81.03427	1.5
81.07046	4.0
82.06606	0.3
83.08628	0.7
84.08154	0.4
85.02908	0.8
85.06542	0.7
88.02221	2.1
91.05482	5.9
91.06011	0.4
93.07044	1.0
95.04985	0.6
95.08614	0.6
97.02904	0.9
103.05444	1.6
105.07039	7.2
107.07596	0.3
107.08600	0.4
109.02893	0.6
109.10170	0.5
112.33248	0.3
115.05442	2.4
116.06239	3.5
117.07027	5.3
119.08583	12.0
121.76322	0.3
123.11762	0.4
127.03893	0.4
127.05681	0.3
128.06233	4.3
128.07112	0.5
129.07016	15.1
130.07802	2.0
131.04916	2.7
131.08578	12.9
133.10138	0.8
141.06973	1.7
142.07813	1.0
143.08556	2.8
144.05710	7.0
144.09349	18.8
145.06447	1.4
145.10138	8.2
146.05951	0.3
147.08008	1.3
153.07030	0.3
154.07787	1.6
155.04929	0.7
155.06078	0.7
156.05734	1.3
157.06537	1.6
157.10156	3.0
158.07297	1.1
158.10953	0.5
159.04434	1.7
159.08073	16.1
159.11700	28.4
169.06430	0.7
169.10075	2.3
171.08073	0.6
172.05222	2.9
172.08838	10.5
172.12521	1.1
173.00845	0.6
185.09671	0.4
186.10457	0.5
187.04033	2.6
187.07582	24.2
187.11186	100.0
187.14708	6.3
188.07909	0.4
188.09453	0.4
188.11545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05033	0.3
57.63212	0.2
60.04553	0.2
64.77914	0.1
66.39779	0.1
68.05034	0.4
69.03424	0.2
70.06596	100.0
70.52268	0.2
71.06923	0.7
71.46954	0.2
72.08158	1.2
81.07063	0.3
82.07455	0.2
84.04509	0.4
84.08175	0.3
85.02912	0.5
89.03926	0.3
97.02927	0.2
103.05483	0.2
112.07617	0.2
114.05541	0.8
117.03401	0.4
121.00832	0.5
121.38325	0.2
126.05544	0.7
126.06503	0.2
126.09164	0.3
130.06561	0.5
130.45215	0.2
131.04900	0.2
131.34579	0.2
139.01880	0.5
140.07095	0.7
140.10759	0.2
142.12317	0.2
144.07802	0.2
145.02882	0.3
145.10143	0.2
158.06046	0.4
158.09604	0.2
159.08069	0.2
163.01788	0.9
168.06549	0.2
168.13857	2.9
168.15207	0.2
170.15399	0.2
181.02872	1.4
181.04210	0.2
186.05627	0.3
186.07654	0.5
186.09169	0.3
186.11429	0.6
186.14879	1.3
186.18636	0.3
187.07611	0.3
193.90543	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	185.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10041	16.0
70.06043	81.6
70.06613	19.9
98.09702	33.8
101.00880	84.2
102.00945	24.9
119.01932	64.7
120.01989	100.0
125.78872	19.9
131.01964	23.7
137.03029	21.0
138.03107	27.1
153.82860	16.6
157.03438	38.8
185.02888	24.1
185.04285	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	186.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34705	0.5
53.03944	3.2
55.01891	1.9
55.05522	5.1
56.05057	2.3
56.96562	4.2
57.03434	2.9
57.07095	0.6
58.06614	0.7
58.99605	0.6
60.04545	1.7
61.02938	0.9
65.03954	1.1
66.04770	0.5
67.05508	9.9
67.05820	0.6
67.92520	1.5
68.05045	2.3
69.03421	2.8
69.07071	29.2
70.06594	46.4
70.36680	1.2
70.37057	1.8
71.04999	10.8
72.04529	0.8
72.08156	14.6
72.08529	1.0
72.93819	1.0
73.02945	0.9
73.08504	0.6
74.06058	1.0
77.03931	0.6
78.99768	0.7
79.05494	6.6
80.05036	1.9
81.03428	2.2
81.05805	3.4
81.07059	9.1
82.06601	2.4
82.94865	2.7
83.01346	0.6
83.05016	0.8
83.07362	1.0
83.08615	1.5
84.04508	7.9
84.08142	5.8
85.02908	10.7
85.06552	0.7
86.06075	1.2
86.09720	3.5
87.04475	1.0
87.10077	1.1
88.02224	0.7
88.04003	0.6
91.05486	0.9
93.05800	1.9
94.06567	12.4
95.04971	6.9
95.08619	0.7
96.04496	2.0
96.08130	15.3
97.00845	1.0
97.02927	1.8
97.06535	8.7
98.06075	6.3
98.06710	0.8
98.09708	2.1
98.97623	2.1
99.04462	1.2
99.84509	0.6
100.07639	1.1
100.95864	1.0
103.00633	0.7
103.05479	0.7
104.10765	0.7
105.04545	1.2
106.06561	1.1
108.04496	0.9
109.02891	0.9
109.06507	1.5
110.06046	1.5
112.02199	1.6
112.03949	0.9
112.07606	5.7
113.04761	0.8
114.05542	14.3
114.06284	1.2
115.08717	1.3
116.07124	1.3
116.98619	1.4
117.03380	1.3
119.01885	1.6
119.02863	0.6
121.00793	6.5
121.01688	7.4
122.06037	39.8
123.04433	0.9
123.97444	3.8
124.03960	4.3
124.07604	9.1
124.11197	0.7
125.05993	1.9
126.05528	9.8
126.09158	2.4
126.12800	30.8
126.93793	1.6
127.03957	1.0
128.07062	1.3
128.98659	0.8
129.10249	1.7
130.06509	1.7
130.07393	0.6
131.04955	0.6
134.99731	0.7
138.05510	1.4
139.01828	8.3
139.02731	2.0
140.01663	1.5
140.07068	100.0
140.10689	13.7
141.00044	0.6
141.05455	3.0
141.07263	0.7
141.10182	1.0
142.08652	3.5
142.12274	24.9
143.00119	0.6
143.01903	0.7
143.15462	0.9
144.03281	1.2
144.06615	3.5
144.07634	0.8
144.94833	1.1
145.01762	0.6
145.02824	1.3
146.99617	0.8
150.05502	2.1
158.05972	1.3
158.08147	1.3
158.99629	0.7
159.08015	0.8
161.01205	1.6
161.02974	0.7
162.95888	2.4
163.01784	11.6
166.03751	0.7
167.96423	2.4
168.06570	8.1
168.10211	1.3
168.13847	8.9
169.09712	1.4
169.13380	8.8
175.04405	3.1
181.02878	19.8
181.09729	0.6
184.04918	1.6
185.97495	2.2
186.05791	1.5
186.07597	12.7
186.09273	2.8
186.11235	5.7
186.14876	31.7
186.18448	1.6
187.02698	1.3
187.07520	1.3
205.03818	1.5
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
55.01873	0.7
56.96546	1.0
57.03444	2.1
61.02916	1.3
69.03430	1.4
70.06593	1.0
70.63207	1.2
73.02927	2.5
80.83217	0.4
81.03409	0.6
82.99831	2.0
84.01564	0.4
85.02917	1.6
97.02876	1.9
98.97591	0.6
101.00888	31.9
102.00988	1.5
103.00601	0.6
103.02359	0.5
103.17133	0.6
104.10743	0.5
110.97567	0.5
114.52561	0.5
115.00658	0.5
115.02430	1.3
117.02222	0.4
119.01933	100.0
120.02006	3.1
121.01599	0.8
121.02390	0.6
124.02460	2.2
131.01920	0.7
132.02025	0.9
133.01685	1.8
133.03476	1.5
137.02968	25.3
138.03035	0.4
139.03378	0.6
142.03503	19.6
143.01927	1.9
143.03647	0.5
144.02040	1.0
145.03491	0.9
155.01955	0.8
156.02016	0.5
157.03503	1.0
160.04579	5.7
161.02977	11.3
161.04167	1.4
162.03139	1.2
163.02733	1.1
165.05159	0.5
170.06703	0.4
173.02965	0.9
174.03120	0.9
175.02660	0.5
179.02444	0.4
179.04019	9.7
184.04523	1.2
184.06018	0.8
184.09683	0.5
186.03197	0.9
202.05721	0.8
203.04021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05547	7.9
71.32699	12.5
71.33051	7.5
81.67955	7.7
92.61939	7.2
101.00867	28.7
104.10796	9.2
111.80341	7.2
119.01942	100.0
137.02950	20.7
142.03561	14.1
161.02901	12.5
180.39375	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10182	0.1
58.99863	0.2
59.37901	0.2
60.00663	0.1
64.16985	0.1
71.53984	0.2
82.01453	0.1
82.99831	1.8
100.02476	0.3
101.00883	27.9
101.95026	1.0
102.00980	0.6
102.43756	0.1
119.01926	100.0
119.96061	0.3
120.01987	1.9
121.02331	0.4
124.02454	1.7
125.02458	0.2
133.03471	1.0
137.02963	26.0
138.03032	0.8
139.03358	0.2
142.03505	20.5
143.01924	0.5
143.03638	0.9
151.04514	0.2
160.04567	5.2
161.02959	7.4
161.04190	0.5
165.05125	0.4
166.80977	0.1
179.04012	9.7
180.04253	0.2
184.04547	0.6
202.05608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.138
Annotation	Chrysanthemyl acetate
Peak:m/z	Relative Intensity
53.03941	3.9
55.01867	2.2
55.05509	12.9
57.03433	4.3
57.07073	2.9
65.03938	1.6
67.05506	29.2
69.03417	2.0
69.07071	16.7
69.48251	9.3
71.04996	9.3
73.63005	1.3
79.05495	19.9
81.07058	100.0
83.04988	6.7
83.08630	8.9
85.02896	1.6
85.06535	14.0
91.05479	18.7
92.57202	1.2
93.07041	15.7
95.04993	6.4
95.08617	19.5
96.23709	1.2
97.06556	7.4
98.98438	3.6
99.04453	2.3
99.08095	5.2
105.03389	5.1
105.07034	39.0
106.07349	1.4
107.08595	17.0
109.06528	7.4
109.10116	2.0
111.08076	4.2
113.06039	1.9
117.07006	1.9
119.08585	28.9
119.11763	1.4
121.10146	34.7
123.04440	3.5
123.08073	3.9
123.11713	54.2
125.09649	1.2
127.07587	2.6
137.09636	1.7
137.13245	2.7
141.07008	5.8
147.11691	69.8
153.06937	1.8
155.08565	5.0
165.12758	31.9
168.09322	2.8
183.11737	7.0
183.13788	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	183.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63093	0.4
53.03956	2.4
54.03466	0.4
55.01875	1.6
55.05521	3.7
56.05040	0.6
56.38191	0.5
56.96568	2.9
57.03438	2.2
57.07066	0.8
58.06616	1.1
59.05004	0.4
65.03940	1.6
67.05509	5.5
68.05036	1.3
68.99799	0.7
69.03427	2.1
69.07080	3.4
70.06598	16.3
71.04994	1.7
71.08634	0.9
71.54511	0.7
72.08159	100.0
73.02923	0.8
73.08511	0.8
79.05487	2.6
80.94970	1.3
81.03431	2.2
81.07064	3.5
82.06596	1.0
83.04985	1.0
84.04515	1.7
84.08148	2.4
84.96065	0.8
85.02898	2.9
85.06557	0.8
86.09716	1.2
91.05466	2.3
92.05836	1.6
93.07062	1.5
94.06602	1.0
95.04977	14.1
95.08617	2.4
96.04551	0.6
96.08140	9.4
97.02895	1.4
97.06550	2.1
98.09737	0.7
98.97609	1.2
98.98478	7.0
99.04494	1.6
99.08140	0.6
101.00912	1.0
101.95053	0.6
105.03403	12.9
105.04529	1.1
105.07081	0.6
107.04953	1.0
107.08597	0.9
109.02912	1.5
109.06558	3.4
109.10164	1.0
110.06052	1.2
110.09676	1.3
110.97582	0.5
111.04485	1.0
112.07613	6.7
113.06028	0.7
114.09177	9.6
116.98631	1.2
119.01933	9.0
119.04197	0.5
119.04948	2.3
119.08619	1.1
120.05286	1.7
120.08123	1.2
121.10154	0.6
121.97581	0.9
123.04439	10.9
123.06403	0.8
123.08084	1.9
123.11674	0.5
124.03974	0.7
124.04778	1.0
124.07600	33.7
125.02380	1.1
125.06036	0.8
125.07963	0.7
127.07568	0.5
127.09550	0.7
128.98660	0.7
130.05151	0.6
133.02800	2.7
136.07591	0.8
137.03047	1.7
137.06027	4.0
137.08005	3.6
137.09637	1.8
138.05510	0.9
138.09184	1.7
138.12799	3.1
139.07539	0.6
140.04684	3.0
140.10765	0.5
141.05469	1.4
142.03508	2.8
143.01961	0.6
146.99751	0.5
147.03424	0.7
147.04402	2.9
147.08040	0.9
148.11305	0.9
151.05908	0.6
154.08649	0.8
155.01874	0.6
155.04881	0.8
155.07071	1.3
155.09026	3.1
156.10242	0.5
160.04575	0.9
160.96089	0.8
161.03035	0.7
165.01750	0.5
165.04390	1.0
165.05518	1.5
165.06734	0.5
165.09180	1.2
165.13898	16.2
165.96634	0.8
166.04872	0.6
166.06062	0.9
166.08586	2.2
166.12289	37.0
167.12651	0.9
173.02968	0.6
178.05807	0.5
179.04088	0.6
183.01309	0.8
183.02878	4.4
183.04430	0.7
183.06535	2.0
183.08115	2.3
183.09914	0.7
183.11499	2.1
183.14949	10.7
184.09697	2.4
184.13402	1.5
201.00764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
51.02371	1.1
53.03952	16.1
55.01876	4.4
55.05503	2.7
57.07065	1.2
65.03949	4.9
67.05171	1.0
67.05508	12.7
69.03445	1.6
69.07071	2.9
69.32624	5.0
70.06596	2.8
71.04997	1.7
72.08163	1.4
77.03931	2.3
79.05497	2.2
81.03419	2.2
81.07059	8.3
83.04996	1.2
83.08623	1.2
85.02892	0.8
85.06541	2.9
91.05473	1.9
92.05787	0.8
93.07047	2.8
94.07357	1.5
95.04973	100.0
95.08603	6.1
96.05322	1.2
97.06548	1.4
98.98465	6.0
99.04458	2.3
99.08099	1.0
105.03414	8.5
105.04505	6.4
105.07037	2.3
107.08604	1.9
109.02928	0.7
109.06523	2.6
109.10155	3.0
110.09640	0.7
111.04459	1.1
113.02375	1.7
113.05981	0.8
119.01925	1.1
119.08605	2.1
121.04001	0.6
121.06486	0.8
121.10165	2.5
123.04435	78.6
123.08103	2.4
123.11721	4.6
124.04736	1.1
125.02328	5.3
125.05997	1.1
125.09674	0.8
127.01567	0.9
128.15620	0.7
129.06900	0.7
129.61658	0.6
133.02876	1.1
136.07571	3.5
137.07933	28.2
137.09616	2.6
138.09196	0.8
140.04692	32.0
141.07086	1.0
145.65179	0.7
147.11687	2.2
153.06989	1.5
155.07043	19.4
155.08586	4.5
160.14676	0.9
165.05563	1.3
165.07437	14.1
165.09001	1.0
165.12779	2.1
166.08641	1.6
168.09341	2.7
174.14478	1.4
183.06558	6.8
183.08113	3.4
183.11601	4.7
203.50569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	Methyl vanillate
Peak:m/z	Relative Intensity
51.02388	1.1
53.03953	13.7
55.01881	3.2
55.05515	1.5
57.03453	1.0
59.05000	0.6
65.03950	4.6
67.05508	10.8
69.03419	0.8
69.07076	2.6
70.06604	3.2
70.90510	0.9
71.04996	1.8
72.08162	8.3
77.03926	2.4
79.05521	2.5
81.03436	3.2
81.07067	4.7
83.04985	0.5
83.08618	0.8
84.04511	0.7
84.08117	0.5
85.02892	0.8
85.06528	1.1
91.05513	2.6
93.07034	2.3
95.04976	100.0
95.08598	4.4
96.05289	0.6
96.08147	1.9
97.02898	1.5
97.06504	1.3
97.08466	0.7
97.82383	0.5
98.98487	3.3
99.04466	2.2
105.03416	5.8
105.04514	5.8
105.07029	1.5
107.08586	1.3
108.02092	1.0
109.02887	1.0
109.06537	1.8
109.10170	1.8
110.03632	0.8
110.06018	0.6
111.04433	1.5
113.06036	0.8
114.09158	0.9
119.08575	2.1
121.04005	0.7
121.10134	1.4
123.04438	77.9
123.08043	4.1
123.11706	1.3
124.04760	1.0
124.07602	17.1
125.02363	4.7
125.06005	1.1
125.09621	0.9
126.22537	0.5
127.07542	1.2
133.02826	2.8
137.05978	2.5
137.07954	1.2
137.09634	2.7
138.09097	2.4
140.04697	29.9
140.10696	1.3
141.11046	3.7
147.04401	0.7
147.08022	0.9
155.07051	20.6
155.08926	0.9
159.74396	0.5
165.05495	1.2
165.07309	0.6
165.09088	2.3
165.12712	0.8
165.13910	1.0
166.08653	3.6
166.12277	2.3
166.94987	0.4
183.01086	0.4
183.06528	5.4
183.08159	2.1
183.10037	1.3
183.11595	2.0
183.13744	1.0
184.09689	0.6
197.98804	0.5
199.75139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26041	0.2
56.96584	0.3
66.69378	0.3
70.20338	1.1
80.16582	0.2
82.01455	0.3
82.99840	2.4
95.04956	0.3
100.02486	0.9
101.00890	31.1
118.03550	1.4
119.01929	100.0
121.02393	0.4
124.02469	3.9
133.03487	0.8
136.04573	0.4
137.02966	23.4
142.03510	29.7
143.01903	0.7
151.04501	0.3
153.13737	0.3
157.46513	0.3
160.04570	14.6
161.02969	6.8
165.05159	0.7
177.01027	0.5
178.05623	2.3
179.04027	9.2
183.06146	0.5
184.04597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01879	13.0
55.05509	2.0
56.96571	6.1
57.03443	38.9
58.06610	3.1
58.99870	3.1
59.04992	1.8
60.08162	1.8
61.02933	29.0
67.05512	1.8
68.05040	1.2
69.03435	39.4
70.06593	4.1
70.99876	2.5
71.01357	3.0
71.04995	4.6
71.54090	1.2
72.08157	4.0
73.02924	53.8
77.00923	3.2
79.05486	2.3
81.01912	3.0
81.03427	21.6
81.07076	2.1
82.02697	2.1
82.06583	1.3
82.99859	2.9
83.05009	2.4
84.04520	3.7
84.08189	1.2
85.02911	53.2
86.03696	2.4
86.99327	1.6
87.01917	5.0
87.04491	2.6
87.51926	1.1
88.02693	6.8
89.00922	1.3
90.02444	1.1
91.05494	3.1
92.05833	4.2
93.01884	9.7
94.02680	6.3
94.06602	1.2
94.99816	1.8
95.04980	10.3
95.08678	1.5
96.02448	5.5
96.04502	1.1
96.08141	1.5
97.02896	48.8
98.97601	2.4
98.98463	4.5
99.01904	2.6
99.04460	8.6
100.02679	7.0
100.07618	1.6
101.00889	36.9
101.02409	1.7
101.06023	1.5
102.00986	3.8
102.02420	17.6
102.52516	4.2
103.02428	3.8
103.03198	3.7
103.03912	2.3
105.00378	3.3
105.03446	5.6
106.01928	1.2
106.02686	3.6
107.03455	2.1
107.04979	1.3
108.02402	6.3
109.02869	7.8
109.06521	1.8
110.02157	2.6
111.02949	16.6
111.53073	2.7
113.00890	12.9
113.02438	1.6
113.53255	1.2
114.01015	2.1
114.02433	6.5
115.02450	8.0
115.03175	2.0
115.03925	1.4
116.02178	1.1
117.02934	4.5
118.01122	2.4
118.03679	3.6
119.01934	100.0
120.01984	6.8
120.03485	3.7
120.05295	5.1
120.53520	1.1
121.01704	2.4
121.03213	4.8
122.02194	1.4
122.53787	1.4
123.02925	12.8
123.04408	5.8
123.53012	2.4
124.02531	1.1
124.03790	2.7
124.04805	5.5
125.00987	1.8
125.02665	1.3
126.02417	1.3
127.02444	4.9
127.03905	11.6
128.04140	1.6
129.02921	4.8
129.03992	3.1
130.03683	2.2
131.01910	58.1
132.01930	5.6
132.03459	12.6
132.53532	1.4
133.01683	1.4
133.03523	13.7
134.03595	1.2
135.02946	3.5
135.53076	1.2
136.03679	2.5
136.07530	1.2
136.54085	1.3
137.02962	20.0
137.05959	2.6
137.07944	12.3
138.03452	11.4
138.05557	1.7
138.09164	1.4
138.53568	3.2
139.02446	2.7
141.03990	3.1
141.05492	2.1
141.06508	2.7
142.03490	13.3
143.01917	49.6
143.54247	1.8
144.01924	5.5
144.03470	4.5
145.03455	22.1
146.00009	2.7
146.03574	4.3
146.99689	1.4
147.01418	4.3
147.03978	4.5
147.05075	2.3
148.04787	2.9
149.01236	1.2
149.02985	8.5
150.03084	1.3
153.03983	6.1
155.01915	45.7
155.07054	1.3
156.02043	3.4
156.08855	2.1
157.03494	19.7
158.03673	2.2
159.03227	1.2
159.05098	2.3
160.04533	8.6
161.02972	61.4
162.03108	6.9
163.02798	1.7
163.04529	4.2
165.04027	1.3
166.05936	2.1
166.08652	3.1
167.01910	10.2
168.02187	1.3
169.03516	4.7
171.01450	1.4
171.05011	2.6
173.02979	67.8
174.03075	9.1
175.02934	2.1
175.04582	6.1
176.04720	1.5
176.98184	1.6
178.02580	2.6
178.05640	1.6
179.02075	1.3
179.04030	4.8
181.03494	1.6
182.97293	1.1
183.01477	1.2
183.05060	2.5
183.07823	4.5
183.11336	2.3
183.14957	10.0
184.04671	3.3
184.09671	2.6
185.02977	39.9
185.04587	2.6
186.03204	5.2
187.04526	4.6
191.04047	5.1
196.04655	1.5
197.03017	7.9
199.04633	2.8
201.02499	2.2
202.05725	1.2
203.04008	20.0
204.04221	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	182.1541
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.13968	0.5
55.01865	0.8
55.05268	0.7
55.05514	7.6
57.03418	1.6
57.07082	3.6
58.02962	32.4
67.05507	19.7
69.07070	58.9
69.22709	5.7
70.06577	2.1
71.04972	0.7
72.08155	0.8
74.06019	1.2
79.05491	6.7
81.07062	16.0
82.06609	0.6
83.04971	1.8
83.07357	1.4
83.08213	0.6
83.08622	7.2
84.04533	0.5
84.08145	8.7
86.06046	1.1
91.05491	4.6
93.07045	10.2
95.04963	2.1
95.08604	6.0
96.08125	0.6
97.06519	4.6
98.06052	2.2
98.09666	2.1
98.21532	1.3
98.97584	1.4
99.79578	0.5
100.07619	6.5
105.07033	13.9
107.08598	18.3
108.24283	0.5
109.06500	2.1
109.10161	43.6
110.10491	0.5
111.08129	0.6
112.07592	2.3
112.11266	0.6
114.09171	14.4
119.08575	1.9
121.10140	1.9
123.08076	1.0
123.11714	7.1
126.09158	14.1
126.12791	2.3
128.10725	0.8
133.10135	29.1
135.10678	1.2
135.11697	17.4
136.07552	0.8
136.12090	0.7
137.13245	1.0
138.12776	19.9
140.10687	1.4
140.14374	0.8
147.11687	4.9
151.11189	8.9
153.12747	13.7
154.08627	4.6
154.15831	1.1
164.14365	2.9
165.12791	2.6
182.08147	1.3
182.15410	100.0
183.15765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49467	0.3
53.03965	0.9
55.01879	0.7
55.05516	1.9
56.05043	1.0
57.03429	3.1
57.03651	0.3
57.07085	0.6
57.77990	0.3
58.02943	0.3
60.91536	0.3
65.03954	1.1
67.05513	4.6
68.05022	1.5
69.03448	0.6
69.05818	1.2
69.07072	1.4
70.06598	11.1
70.82879	0.8
71.04996	2.1
72.04550	0.3
72.08153	1.0
79.05493	4.1
80.05006	1.9
80.05805	0.4
81.03428	0.4
81.04567	0.3
81.07063	5.6
82.06590	2.6
82.07381	0.4
83.06095	0.3
83.07357	2.2
83.08620	0.7
84.04518	0.4
84.08148	6.7
84.08620	0.5
85.02921	0.4
85.06542	1.9
85.91199	0.3
86.02409	0.6
86.06078	2.4
90.04276	0.4
91.05461	2.5
92.05810	0.7
93.05785	1.1
93.07061	1.6
94.06595	0.7
94.07384	0.9
95.04973	5.1
95.08630	1.0
96.04494	0.5
96.08131	17.3
97.06527	2.9
97.08939	0.4
98.06069	1.1
98.09720	1.1
98.20865	0.4
98.97598	0.5
98.98459	0.4
99.04485	0.4
103.05511	0.4
104.05815	0.7
105.03410	0.9
105.04501	0.3
105.07047	0.8
106.06573	0.4
106.07296	0.3
107.04980	1.0
107.07347	0.5
107.08591	0.3
108.04570	0.4
108.05299	1.3
108.08134	7.4
108.08874	0.8
109.02899	0.6
109.06528	1.5
109.10173	0.5
110.06052	1.9
110.09686	1.0
111.04456	0.4
111.08073	0.4
112.07610	1.8
112.11237	2.7
118.03754	0.7
118.06548	0.9
119.04935	0.7
120.08125	3.0
121.10126	0.6
122.06027	1.5
122.06817	0.6
122.10489	0.6
123.04449	3.4
123.06867	0.4
123.08057	0.9
124.07578	2.2
125.06016	2.6
126.05518	3.3
126.09158	4.5
129.69945	0.3
133.02841	0.7
136.04796	1.8
136.07582	17.1
136.08440	0.6
136.11192	0.7
137.05995	0.8
137.07930	0.4
137.09622	0.4
138.05466	0.4
138.09149	11.1
139.03787	0.4
140.04649	0.9
140.10707	100.0
141.05475	0.3
141.11031	1.0
143.57426	0.3
146.03186	0.9
150.12791	1.3
153.05441	0.6
153.07936	0.4
154.07356	0.6
154.08629	12.3
154.12265	0.9
155.07005	0.8
164.01740	0.7
164.04272	3.6
164.07072	11.6
164.10745	1.0
165.05574	0.4
165.10278	0.4
166.08784	0.3
166.98595	0.4
182.00925	0.6
182.04431	0.4
182.05624	0.6
182.08124	13.5
182.11765	27.4
182.15190	1.8
183.06500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03938	5.3
55.01870	2.8
55.05508	6.4
56.05030	1.4
58.02958	3.3
65.03938	4.7
66.07277	1.2
67.05511	17.0
68.05021	1.7
68.49707	1.4
69.05826	1.5
69.07081	6.5
69.25732	5.7
69.26156	7.1
70.06593	8.2
79.05067	2.1
79.05497	28.6
80.05014	4.9
80.05840	1.8
81.03408	1.7
81.07063	42.4
82.02938	1.6
82.06599	2.1
82.07404	1.7
83.04990	2.3
83.07368	6.8
83.08624	3.2
84.05268	1.3
84.08134	3.6
86.02423	5.2
91.05493	8.0
93.05798	7.1
93.07069	3.9
94.06567	4.6
94.07309	1.5
95.04963	11.8
95.08611	3.0
96.04506	2.6
96.08140	3.4
97.02894	1.8
97.06544	9.9
98.06052	3.2
98.06794	1.4
98.09689	3.2
98.98473	1.7
105.03400	1.8
107.04972	1.6
107.07323	3.0
108.04488	2.4
108.08125	59.8
109.06506	6.2
109.10166	3.1
110.06049	5.4
110.10497	2.5
111.01248	1.2
118.06548	3.6
119.04913	1.8
119.08575	1.8
121.05213	2.2
121.10069	1.2
122.02402	2.0
122.06036	2.5
122.10512	1.7
123.04478	7.4
123.08028	2.7
124.07571	2.5
125.05996	27.3
126.05531	32.5
126.06355	2.8
126.08311	2.0
126.09163	23.7
134.06001	2.5
136.07587	100.0
136.52237	1.5
137.05933	1.7
138.05507	4.2
138.09129	2.1
140.07074	2.7
140.10712	3.9
152.07021	1.5
153.05478	1.5
153.07863	2.8
154.08638	54.4
155.06984	1.9
160.89058	1.2
164.04286	3.7
164.07080	80.5
164.11513	4.6
165.05460	2.3
176.98563	1.6
182.00937	2.4
182.08136	93.3
182.11658	3.9
182.15335	7.5
182.19080	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03943	1.8
53.04172	0.2
55.01876	0.2
55.05510	0.3
58.07396	0.2
65.03952	0.6
67.05522	0.9
67.73333	0.2
70.73293	0.4
70.73647	0.2
71.21468	0.1
77.03535	0.2
77.03947	0.6
78.04725	0.2
79.05099	0.1
79.05481	0.8
80.05019	0.3
81.03410	0.3
81.07056	0.7
83.04987	0.3
83.07388	0.2
84.05338	0.3
86.06069	0.5
89.68423	0.1
91.05486	4.0
93.05804	1.0
93.07044	3.4
94.06583	0.5
94.07403	0.2
95.04974	4.6
96.05295	0.2
97.06528	0.4
100.07677	0.2
105.03396	0.2
105.04523	0.7
108.04469	0.5
108.07407	0.3
108.08132	2.6
108.08887	0.3
114.45853	0.1
122.06054	1.4
122.06817	0.3
122.10599	0.2
123.04440	2.7
124.54963	0.2
125.05993	0.2
125.65568	0.1
126.05523	2.0
126.06345	0.4
126.09167	0.5
136.07584	100.0
137.07962	1.3
140.04678	1.0
140.07060	2.7
146.10527	0.2
154.08624	2.7
155.07037	0.8
159.58133	0.2
164.07074	53.4
164.11563	1.3
165.07407	0.7
182.00967	0.2
182.08127	1.3
182.11690	0.2
182.12654	0.2
182.15437	0.4
183.06618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03945	2.0
55.01880	0.4
55.05516	2.8
57.07086	0.4
65.03953	0.7
66.07439	0.2
67.05508	1.3
69.07078	0.4
69.41057	2.0
70.06591	0.3
75.18845	0.2
77.03941	0.3
79.05502	1.0
80.05027	0.6
81.03406	0.5
81.07062	1.0
82.07388	0.4
83.04999	0.3
83.07377	0.6
83.08630	0.9
91.05482	4.8
93.05791	0.9
93.07050	3.4
94.06587	1.0
94.07369	0.4
95.04970	3.8
96.05278	0.2
96.08157	0.5
98.06093	0.4
98.06924	0.4
98.20751	0.5
98.98453	0.3
100.07616	0.8
100.11253	0.6
104.05865	0.3
105.03403	0.5
105.04517	0.7
108.04499	0.5
108.08137	3.3
108.08883	0.6
109.06510	0.3
110.06068	0.3
112.03899	0.2
112.07603	0.4
117.88064	0.2
118.06551	0.4
120.08097	0.3
121.10202	0.3
122.06052	1.6
122.09683	0.4
122.10491	0.6
123.04430	2.5
126.05524	2.1
126.09179	1.1
136.07582	100.0
137.07942	1.1
140.04630	0.7
140.07053	2.5
154.07373	0.4
154.08626	6.2
154.09802	0.5
155.07043	0.4
159.91924	0.3
164.07076	54.0
164.15166	0.6
165.07370	0.6
165.10197	0.5
182.01031	0.6
182.02774	0.3
182.08142	2.0
182.11827	0.4
182.15417	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	182.0813
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.52386	1.3
52.21870	1.1
53.03945	5.2
54.03483	1.2
55.01859	2.8
55.05498	4.5
57.07067	1.2
58.02963	2.1
60.22388	1.1
63.56880	1.1
65.03928	4.0
66.04737	1.1
66.18497	1.1
66.48045	1.0
67.05507	20.0
68.05028	1.8
69.03423	2.7
69.07062	5.6
70.02938	1.3
70.06590	9.8
70.27802	3.9
71.04986	2.5
72.08138	2.5
79.05065	2.0
79.05499	30.1
80.05003	3.1
81.03428	1.6
81.07062	39.3
82.02899	1.6
82.06578	3.4
82.07355	1.2
82.88718	1.1
83.07363	3.2
83.08630	2.8
84.04486	1.5
84.08143	6.9
86.02428	5.5
86.06033	1.6
88.80894	1.0
91.05479	7.0
91.81303	1.1
92.04977	1.2
93.05798	5.4
93.07041	2.6
94.06594	5.3
94.07384	1.0
95.04978	13.0
96.04487	3.5
96.08133	7.4
97.05264	1.8
97.06537	10.1
98.06046	4.0
98.09669	3.2
98.98463	1.5
105.03420	1.2
106.06568	1.4
107.07329	4.6
108.04465	3.3
108.05278	1.0
108.08122	57.1
108.08813	2.3
109.06530	6.5
110.03621	1.0
110.06011	6.3
111.04482	1.1
112.03984	1.2
112.07603	2.0
114.53576	1.1
118.06536	3.3
119.04936	2.4
120.04516	1.8
120.08071	1.7
121.02863	1.4
121.05264	2.7
122.03190	2.8
122.06065	7.6
122.06838	2.1
123.04433	7.3
123.08016	1.8
124.05225	1.2
124.07607	3.3
125.06000	24.0
126.05521	32.2
126.09157	23.5
126.10005	0.8
134.06006	1.8
136.07587	100.0
136.08617	3.9
136.11163	1.6
137.05968	1.4
138.05486	4.2
138.09119	4.8
138.34247	1.3
139.06177	1.0
140.04675	2.8
140.07071	1.3
140.10713	21.1
140.95135	1.1
141.05405	2.1
147.04404	5.1
150.05412	1.6
150.12831	1.4
153.07831	1.6
154.08635	55.4
155.07056	1.3
164.04266	3.2
164.07072	81.1
165.07339	1.5
167.06926	1.4
174.90793	1.1
182.00951	1.7
182.05125	5.0
182.08130	99.1
182.11586	9.6
182.15327	2.6
183.06479	1.4
183.08278	1.0
193.62605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03943	1.0
55.01865	1.4
55.05514	2.0
56.05025	0.6
56.96561	3.4
56.97431	0.4
57.03445	1.1
59.10337	0.4
63.92919	0.4
65.03944	3.5
65.51617	0.4
67.05504	2.9
68.05038	0.7
68.99806	0.4
69.03431	1.7
69.07060	0.6
70.06595	100.0
71.04979	0.7
71.54512	0.6
71.95261	0.7
72.08159	14.1
78.95275	0.6
79.05487	4.4
80.05032	0.8
81.03434	1.3
81.07079	2.8
82.06568	0.5
83.05000	1.8
84.04522	0.8
84.08141	1.7
85.02891	1.0
85.06526	0.6
87.17648	0.4
89.03921	8.6
90.62911	0.4
91.05489	9.7
91.46832	0.4
93.03402	2.9
93.07053	4.2
94.04228	0.6
94.06551	2.6
95.04984	2.8
95.08631	1.0
96.08095	0.6
97.02933	0.8
97.06543	1.8
98.06145	0.5
98.97589	15.3
103.05470	2.2
105.07064	1.4
107.04959	6.7
107.08610	2.7
108.04539	0.5
108.08121	1.1
109.02953	0.5
109.04844	0.8
109.06537	0.8
109.10181	0.5
110.03690	0.5
110.06025	2.9
111.04443	9.7
112.08736	31.6
112.55746	0.9
113.02362	0.4
116.98628	12.9
117.03381	8.9
117.04134	0.7
117.06999	0.9
119.04943	7.5
119.05768	0.5
119.08612	0.8
119.97939	1.1
121.06519	5.3
121.10133	2.9
122.03654	2.7
122.06033	20.2
122.09683	0.5
123.04465	0.5
123.08092	1.1
124.07625	0.5
125.05981	2.9
126.09201	0.9
130.09929	0.4
131.04973	1.4
134.09740	0.5
134.99667	11.3
135.00644	0.8
135.04422	20.1
135.06807	2.1
135.08029	2.8
135.10008	1.5
135.11742	1.5
136.05162	0.7
136.07597	3.4
136.11234	1.0
137.05983	24.2
138.03313	0.4
138.06419	0.6
139.03902	9.6
139.04881	0.7
139.07530	0.5
140.95232	0.5
145.02844	10.2
145.10188	0.6
148.05267	0.8
149.00610	0.5
149.02338	0.5
149.06047	1.5
151.07547	4.3
153.00758	2.0
153.05511	1.4
153.07025	0.7
153.09152	0.5
153.10289	0.8
154.05035	0.5
154.08650	3.0
158.01285	0.9
163.03912	42.6
163.07607	1.6
163.09660	1.0
163.11198	1.9
163.12439	0.8
163.96986	0.8
164.07100	1.4
164.10715	17.8
165.09195	0.6
181.02831	0.6
181.03452	0.5
181.04991	4.7
181.06549	1.9
181.08624	2.4
181.09598	0.8
181.09935	1.0
181.12164	1.0
181.13315	3.5
181.14616	1.6
181.97906	1.0
182.00972	0.5
182.08189	1.6
182.11845	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	181.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01880	2.7
55.05513	6.4
56.96558	2.9
57.03447	1.2
57.07093	1.1
61.68753	0.5
63.02377	0.5
65.02308	0.5
65.03948	4.4
67.05518	5.8
68.99809	0.8
69.03439	2.0
69.07072	2.7
70.06209	0.7
70.06594	11.6
71.04991	1.0
71.54283	0.7
71.95268	0.6
72.08157	10.8
72.78717	0.6
73.01140	0.7
77.03957	0.6
79.05498	9.3
80.05017	1.0
81.03425	1.5
81.07063	5.4
82.04214	0.9
82.06600	1.0
83.04985	2.3
83.08632	2.0
84.08148	1.7
85.02918	1.6
89.03922	12.1
91.05483	10.5
93.03403	1.6
93.07050	10.7
94.06572	11.2
94.07464	0.6
95.04972	9.0
95.08617	2.0
96.04478	0.8
96.08096	0.6
97.02909	2.0
97.06544	3.7
98.97589	13.5
103.05463	6.5
105.04577	0.7
105.07037	3.4
107.04963	15.6
107.08601	5.5
108.04488	1.8
108.08122	1.4
109.04823	1.4
109.06516	1.6
109.10162	1.8
110.06055	9.0
111.04450	8.7
111.05565	0.6
112.07629	2.8
115.05529	0.7
116.98632	13.7
117.03390	12.0
117.07059	1.0
117.12185	0.5
119.04951	2.1
119.08604	1.2
120.05759	0.6
121.02892	1.1
121.06511	10.3
121.10158	8.1
122.06037	100.0
123.00800	0.8
123.04406	1.6
123.06367	1.0
123.08093	1.6
124.07542	0.7
125.04980	0.8
125.05994	3.6
125.09646	0.9
131.04942	1.4
133.02928	0.9
133.10103	0.6
134.09688	0.8
134.99666	12.1
135.03500	1.1
135.04425	27.3
135.08090	6.0
135.11690	3.1
136.03931	0.6
136.05083	1.0
136.07605	3.7
136.11192	1.9
137.02432	0.7
137.05977	8.9
137.09641	1.1
138.03181	0.8
138.06731	0.6
139.03931	7.4
139.07585	1.4
142.02608	0.7
145.02849	15.1
145.03993	1.1
145.10144	2.1
148.05212	2.4
149.00568	1.4
149.05957	4.7
151.03915	1.0
151.07492	0.8
153.00749	1.3
153.05458	2.2
153.06938	0.9
153.09094	1.0
154.08591	1.0
158.01292	0.7
163.03917	60.3
163.07547	4.0
163.11179	5.7
163.12361	1.4
164.04381	1.0
164.07060	2.4
164.10721	82.6
165.11183	1.1
166.06232	1.3
166.07768	0.8
171.06526	1.0
181.03853	2.1
181.05182	9.0
181.06476	2.6
181.08492	6.1
181.09935	1.6
181.12149	2.8
181.13443	7.3
181.15819	1.0
182.08136	2.4
182.11751	0.6
182.15416	1.8
192.25880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	2.6
54.24947	0.7
55.01863	3.0
55.05517	6.4
56.96557	1.3
57.03426	2.2
57.07079	25.2
59.04982	2.3
65.03935	2.2
67.05508	4.8
69.03423	2.7
69.07066	7.2
69.28337	7.5
71.04987	1.9
72.08146	2.5
73.02900	0.8
75.04486	1.0
79.05503	15.7
81.03416	5.9
81.07060	11.8
82.04185	1.1
83.04984	49.5
83.08620	1.5
85.02916	1.2
85.06532	2.2
89.03917	1.4
91.05482	8.1
93.03400	1.2
93.07051	18.6
95.04976	22.6
95.08620	5.0
97.06535	27.9
98.97593	7.9
103.05463	2.0
105.07037	7.3
106.04142	0.8
107.04958	4.9
107.08597	22.6
109.06507	1.8
109.10209	4.2
111.04429	2.8
111.08100	1.7
116.98616	6.9
117.03397	2.6
117.07007	3.3
119.04951	0.9
119.08576	5.4
121.02920	1.1
121.06499	10.0
121.10149	27.3
122.06001	3.4
123.04384	2.0
123.08056	3.5
125.05998	67.8
126.06369	1.1
130.07773	2.0
134.99657	4.1
135.04420	4.9
135.08041	3.4
135.11699	16.3
136.07545	2.7
137.05989	1.3
137.09616	1.9
139.03888	2.3
139.07568	1.5
143.08467	1.0
145.02797	1.5
145.10123	13.7
148.05130	1.0
148.08748	0.9
148.50699	0.8
149.05971	2.8
153.05530	1.1
154.08615	2.0
163.03946	9.4
163.11186	100.0
164.07088	1.5
164.10568	1.6
166.07751	0.9
181.04944	4.4
181.06448	2.0
181.08696	5.0
181.10048	1.5
181.10501	1.4
181.12225	32.7
181.15833	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03949	6.2
55.01883	6.8
55.05267	1.4
55.05513	19.7
56.41640	0.9
56.96556	3.5
57.03429	3.1
57.07089	5.8
58.25523	0.9
59.05001	1.3
65.03943	4.7
65.92847	0.9
67.05167	1.4
67.05505	17.9
68.84994	0.9
69.03423	4.2
69.07072	10.2
69.60168	3.0
69.60579	2.8
71.01340	1.3
71.04982	2.9
72.08126	1.4
73.02886	1.5
75.04469	1.9
75.94851	1.0
77.03902	1.7
78.04697	1.2
79.05492	26.6
81.03397	3.6
81.07059	19.5
82.04219	1.8
82.07436	1.0
82.39935	1.2
83.04983	12.4
83.08614	3.3
85.02889	2.4
85.06537	3.2
89.03905	1.8
91.05486	23.7
93.03390	3.4
93.07047	54.5
95.04970	15.9
95.08611	33.9
97.02911	2.3
97.06534	18.8
98.97588	20.7
99.04451	2.1
103.05467	6.8
105.04517	1.6
105.07046	11.9
106.04176	3.4
106.07828	1.2
107.04955	10.3
107.08600	40.0
109.06505	5.7
109.10140	5.1
111.03706	1.6
111.04450	25.0
111.08089	14.3
113.06007	2.1
115.05466	1.3
116.49482	1.1
116.98631	21.4
117.03371	2.6
117.07027	6.4
119.04902	1.5
119.08601	7.8
120.05697	1.4
120.09351	1.0
121.05646	1.7
121.06506	25.4
121.10141	20.8
123.04428	2.1
123.07289	0.9
123.08064	4.7
125.05994	75.7
125.09608	1.5
127.07525	1.4
130.07765	3.6
134.03572	1.7
134.99663	14.1
135.04405	7.1
135.08066	12.8
135.11693	38.5
135.12711	2.1
136.07506	1.7
137.05983	3.9
138.06757	11.2
139.03877	1.4
139.07561	5.1
145.02853	2.6
145.10123	24.6
148.05188	1.4
149.04904	1.3
149.06000	10.5
151.07500	1.3
153.00670	2.3
153.09079	2.3
153.12761	8.0
154.08562	4.5
158.01247	1.8
163.03893	10.6
163.07539	3.5
163.11185	39.3
164.07072	1.2
164.14435	0.8
165.07014	2.4
166.06357	1.6
166.07756	3.5
181.04955	10.9
181.06519	2.3
181.08594	8.6
181.10214	5.1
181.12234	100.0
182.08109	1.2
182.12663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.99995	1.0
53.03933	1.4
55.01868	1.9
55.05521	2.2
55.31063	0.9
56.16526	0.9
57.03453	1.3
57.06825	1.4
57.07080	21.0
59.04988	2.8
67.05499	3.4
69.03444	1.6
69.07059	3.2
71.04954	1.2
71.20941	2.3
71.96083	0.9
79.05494	10.4
81.03419	5.6
81.07058	5.1
83.04985	50.0
91.05466	4.1
93.07055	10.1
95.04980	15.2
95.08603	1.8
97.06536	24.5
98.97588	8.2
105.07037	6.1
107.04992	2.0
107.08609	11.6
116.98624	7.3
117.07041	3.0
119.08585	2.8
121.06506	4.3
121.10149	11.7
125.06001	64.8
126.06326	1.4
127.87125	0.9
130.07762	2.1
134.99667	3.1
135.08051	1.4
135.11739	6.3
145.10115	10.4
154.08644	2.9
163.11189	100.0
164.11635	1.5
165.06987	2.3
166.07736	2.9
179.67920	1.2
181.10181	5.2
181.12250	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03931	1.6
55.01864	1.5
55.05489	2.9
56.96553	1.7
57.07079	21.9
59.04990	3.2
67.05492	1.8
69.03416	1.8
69.07047	2.7
69.25671	2.5
69.26093	5.1
74.90472	0.7
79.05499	8.4
81.03415	5.8
81.07049	4.7
82.93427	0.8
83.04984	52.0
83.07321	0.9
84.05287	0.9
89.62807	0.8
91.05467	3.3
93.07044	8.6
95.04974	15.5
95.08591	1.6
97.05920	1.5
97.06535	27.3
98.20686	1.7
98.97586	8.9
105.07027	5.9
107.04937	2.3
107.08589	10.5
109.06477	1.3
116.97237	0.9
116.98627	6.4
117.07030	2.0
119.08576	3.8
121.06470	2.5
121.10154	13.6
125.05995	63.4
130.07794	2.2
134.99672	4.9
135.11700	6.7
140.00171	1.4
145.10136	10.5
154.08624	3.2
158.01309	1.2
163.11188	100.0
164.11459	1.4
165.06992	3.2
166.07768	3.9
167.08595	0.9
181.10124	5.9
181.12227	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03954	9.8
55.01862	6.0
55.05518	29.1
56.96558	8.8
57.03444	16.4
57.07076	10.1
57.07304	1.7
59.92233	1.9
65.03923	4.9
66.32314	2.6
67.05511	93.0
68.42815	2.1
69.03427	5.7
69.07072	29.7
69.99545	10.0
71.01364	21.0
71.04987	8.3
71.95260	3.8
79.05502	100.0
81.02979	2.9
81.03426	40.5
81.06586	2.9
81.07063	59.4
83.04987	64.7
83.08611	8.9
85.02901	4.9
85.06551	5.9
87.09084	2.1
91.05489	52.9
93.07051	97.1
95.04983	21.0
95.08617	22.7
95.25737	1.8
97.06536	38.6
97.10172	4.6
98.97592	82.5
99.08090	3.7
99.67856	2.9
100.14852	1.9
103.05479	2.5
105.07053	13.0
107.04948	8.8
107.08605	52.6
109.06516	4.3
109.10147	9.0
111.08124	3.4
116.97270	4.4
116.98634	71.3
117.07011	16.6
119.08593	27.4
121.06512	11.9
121.09312	3.8
121.10148	49.8
125.06003	22.6
125.09641	2.5
126.09115	2.5
130.07767	3.3
133.10144	4.7
134.99660	41.8
135.08119	4.8
135.11705	61.9
137.09601	8.7
140.00171	7.7
141.73737	2.2
145.10123	29.2
153.00755	4.7
154.08646	9.3
158.01244	10.4
163.03886	2.9
163.09708	4.5
163.11201	55.2
165.07037	2.5
166.07736	3.9
181.02611	2.0
181.04887	2.5
181.06377	2.2
181.08548	3.4
181.10146	6.3
181.12218	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	181.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.1
55.01876	8.5
55.05512	27.2
56.68407	1.9
56.96569	9.7
57.03434	19.5
57.07063	6.4
65.03921	4.0
67.05507	99.3
68.05826	2.5
69.03419	4.4
69.07067	30.6
69.99049	8.1
71.01357	27.1
71.05007	8.6
71.95242	3.1
72.08147	4.2
73.02909	1.6
79.05495	100.0
79.66264	1.8
81.03414	36.6
81.07059	60.1
83.04483	2.9
83.04980	49.8
83.08604	7.9
83.56460	1.9
84.93058	1.8
85.02906	3.3
85.06514	4.1
91.04970	3.3
91.05486	43.9
93.07045	100.0
94.07368	2.4
94.30140	1.9
95.04971	19.3
95.08600	19.9
97.06532	30.1
97.10147	5.1
98.97589	87.9
99.04467	2.6
99.08141	2.9
100.15724	1.9
103.05453	2.9
105.04632	1.8
105.07031	12.6
107.04961	11.4
107.08595	47.3
109.06508	5.4
109.10144	6.4
111.08096	4.0
111.11763	1.9
116.97301	3.6
116.98620	66.2
117.07032	15.6
119.08593	18.1
121.06496	12.2
121.09320	3.4
121.10140	44.8
122.06020	2.4
125.06004	12.2
128.06047	1.7
130.07774	3.5
131.52356	1.9
133.10156	6.7
134.99666	45.7
135.04427	1.9
135.08034	5.3
135.11696	71.8
137.05928	2.2
137.09579	7.1
139.07565	1.7
140.00165	7.1
145.10133	25.4
153.00677	5.4
154.08617	6.8
158.01244	7.8
163.03859	3.4
163.09587	2.9
163.11183	38.3
164.07088	2.5
165.06992	3.2
166.07773	2.1
181.04929	3.9
181.06371	2.7
181.08600	2.6
181.10130	5.6
181.12210	31.8
182.08177	2.6
192.68190	1.7
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	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.23038	0.7
55.01866	1.1
55.05498	2.7
56.96572	1.5
57.07063	1.1
59.04988	3.4
64.93777	0.9
67.05490	3.4
69.03425	1.7
69.07051	2.9
71.00192	2.1
73.02940	0.9
73.26801	0.9
79.05495	7.8
81.07068	8.3
83.04976	2.3
91.05477	4.0
93.07046	18.1
95.04964	1.9
95.08051	1.3
95.08612	14.0
97.06518	3.8
98.97598	13.1
105.07029	3.7
107.04933	2.0
107.08600	29.4
109.06502	1.0
109.10139	2.4
111.04426	2.2
111.08060	0.9
116.98624	11.4
119.08586	5.4
121.06506	3.9
121.10145	17.2
123.08082	3.1
125.05985	4.9
134.99649	3.9
135.04391	0.9
135.08049	1.3
135.11699	39.1
137.13225	1.9
139.07535	7.8
145.10112	11.2
153.12756	2.1
163.03906	2.0
163.11194	30.0
166.07758	1.2
179.06357	0.9
181.04950	1.2
181.12244	100.0
182.12599	1.6
187.42020	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.55254	1.6
51.17033	1.5
51.48922	1.9
53.03936	7.5
55.01862	5.1
55.05516	29.7
56.96557	6.9
57.03441	14.5
57.07069	4.8
58.02974	1.7
63.42970	1.5
65.03924	2.5
67.05511	84.7
69.03414	3.3
69.06736	1.7
69.07076	27.2
70.95152	2.0
70.95496	4.3
71.01366	18.1
71.04984	6.6
79.05501	86.5
81.02992	2.4
81.03425	30.7
81.07060	53.1
83.04988	45.3
83.08606	9.5
85.02902	2.6
85.06527	5.7
88.14892	1.6
91.05486	44.4
93.07050	100.0
93.86969	1.7
94.01788	1.8
95.04982	14.2
95.08128	1.8
95.08616	16.9
97.06540	29.6
97.10152	6.2
98.97589	56.9
99.08099	3.1
103.05471	1.8
105.04501	2.9
105.07034	11.9
107.04960	6.0
107.08598	45.0
109.06547	4.5
109.10191	9.8
111.08068	3.4
112.07594	2.6
116.98624	40.2
117.07027	14.6
119.08604	17.1
121.06546	8.2
121.10159	32.9
125.05970	6.5
126.09151	2.0
130.07797	3.0
131.30371	1.9
133.10121	7.3
134.99667	19.8
135.04378	2.0
135.08078	2.6
135.11700	63.1
137.09584	5.8
139.11206	2.2
140.00156	4.0
145.10147	19.2
153.00725	3.1
153.12759	3.5
154.08643	5.6
158.01263	3.4
163.03893	2.3
163.09818	3.1
163.11186	32.2
166.07809	2.5
169.28323	1.9
181.06311	2.0
181.10452	3.3
181.12238	24.3
182.15422	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	5.9
55.01875	12.4
55.05516	31.6
56.96570	22.5
57.03437	3.4
57.07077	9.9
60.91757	1.7
65.03945	3.8
66.60560	1.8
67.05169	3.0
67.05508	36.3
69.03422	6.9
69.07076	20.4
69.56523	5.5
69.56946	7.6
71.01367	2.0
71.04995	5.0
71.95251	3.4
72.08151	3.1
73.02929	4.9
77.03927	2.2
79.05064	4.0
79.05502	61.3
81.03418	8.1
81.07070	40.2
83.04988	25.1
83.08606	11.3
86.15955	1.7
91.05489	24.2
93.07050	91.1
95.04976	23.1
95.08617	75.6
97.02897	6.4
97.06538	20.0
98.97595	95.2
99.04466	4.1
99.66513	2.1
103.05455	4.0
105.07055	17.2
107.04957	23.0
107.08601	52.7
109.06520	6.2
109.10162	4.2
111.04456	6.1
111.08096	4.1
112.07603	2.6
115.05457	2.1
116.97286	4.5
116.98632	87.2
117.07027	15.3
119.08597	15.7
119.91129	2.0
121.06532	18.2
121.10155	41.9
123.08178	2.1
125.05999	27.1
130.07799	5.6
133.10133	4.0
134.99672	62.2
135.04431	7.5
135.05585	2.2
135.08073	8.3
135.11708	62.0
139.03922	5.0
139.07559	7.6
140.00212	7.1
145.10143	43.7
153.00714	8.0
154.08653	11.2
158.01274	10.6
161.46866	2.0
163.03943	11.2
163.07544	3.0
163.09644	6.2
163.11188	100.0
164.07251	2.7
164.11595	2.2
166.07806	4.6
179.48431	1.8
181.04987	5.4
181.06403	4.4
181.08641	4.0
181.10213	7.4
181.12236	44.2
181.13705	3.6
196.68748	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	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03996	1.2
55.01907	1.3
55.05327	0.7
55.05562	2.5
57.03480	0.9
57.04593	1.7
57.06825	1.1
57.07081	20.9
59.04730	0.6
59.05049	2.4
62.75328	0.7
63.16475	0.7
67.05549	1.6
69.03462	1.3
69.06766	0.6
69.07117	2.9
69.25807	6.9
71.06167	1.4
79.05509	9.1
81.03423	5.9
81.07057	4.6
82.82702	0.7
83.04990	48.2
84.05327	0.9
85.06587	1.0
91.05536	3.0
91.72051	0.8
93.07047	6.6
94.29515	0.8
95.04978	15.2
95.08639	1.7
97.06541	23.3
98.06123	0.7
98.07197	0.9
98.97649	0.8
99.05586	9.8
99.94711	0.8
105.07052	4.9
107.05001	2.1
107.08601	11.8
109.06588	0.8
116.98612	1.4
117.07046	2.5
119.08572	4.2
121.06527	3.8
121.10155	13.8
122.07145	0.8
125.06001	62.6
126.06388	1.0
130.07814	2.1
134.99628	0.9
135.04521	0.8
135.08095	0.9
135.11714	5.4
136.07584	0.7
137.05937	0.7
139.09811	1.0
145.10124	12.6
163.11195	100.0
164.11652	1.9
166.07808	0.9
181.08609	1.0
181.10583	2.8
181.12230	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.11404	0.3
53.03934	1.1
55.01860	0.5
55.05495	0.4
56.96550	0.6
63.02356	0.6
65.03930	1.0
67.05492	0.7
69.07033	0.3
70.06577	1.4
70.75913	0.6
72.08163	2.1
79.05497	4.0
81.03423	0.4
81.07040	0.8
83.04984	0.4
84.08136	0.5
87.40500	0.3
89.03922	17.4
91.05476	2.2
93.03397	0.8
93.07027	1.8
95.04974	1.8
95.08651	0.4
95.68185	0.3
97.06537	0.5
98.97589	4.1
100.16880	0.4
103.05480	1.3
105.07027	0.5
107.04967	9.0
107.08600	0.8
109.06506	0.4
111.04452	2.8
112.07600	0.5
113.87987	0.3
116.98634	2.4
117.03388	20.6
121.06556	1.9
121.10149	0.8
122.06046	0.6
124.05196	0.4
125.05991	0.8
127.31514	0.3
134.98743	0.3
134.99698	1.8
135.04428	38.9
135.08037	1.4
135.11722	0.4
136.07591	0.9
137.05965	1.0
137.56575	0.3
139.03929	3.0
145.02856	24.2
146.03188	0.6
149.06000	0.9
154.08643	0.9
163.03912	100.0
163.11118	0.7
163.12395	0.5
164.04274	1.6
164.07106	0.6
164.10739	0.8
181.05017	2.2
181.06372	0.5
181.08597	1.2
181.10022	0.5
181.11986	0.6
181.13487	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	180.102
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
51.02380	0.2
51.57198	0.2
52.03157	0.2
53.03942	1.1
55.01868	0.5
55.05493	0.2
55.66457	0.3
60.04524	1.4
63.80098	0.2
65.03957	0.4
65.45417	0.2
67.05498	0.4
69.03429	1.2
69.91232	1.1
71.04973	0.4
71.68501	0.2
77.03912	0.3
79.05479	0.9
80.05014	0.7
81.03419	0.3
81.07047	0.6
83.04974	0.2
84.08140	0.5
84.52869	0.2
86.09717	0.3
89.03938	0.5
91.05480	5.0
93.07043	9.0
94.06577	0.4
95.04977	2.0
95.08633	0.2
98.97568	0.5
103.05472	7.2
105.03420	0.3
105.04481	0.3
106.06558	1.3
106.07298	0.4
107.04926	0.5
107.08595	0.3
108.04477	2.4
110.06022	0.5
111.04444	0.3
111.08085	0.3
112.07625	1.8
116.98629	0.6
117.03433	0.3
119.70988	0.2
120.08115	1.8
121.06505	100.0
121.80672	0.2
122.06841	1.9
123.04405	0.3
124.07639	0.3
124.11264	0.2
129.46432	0.2
134.03226	0.7
134.06007	1.4
134.09576	0.4
135.04443	0.4
135.08083	0.3
135.11618	0.3
136.04832	0.3
137.05917	0.3
138.09142	14.1
148.04814	0.2
152.07076	1.5
162.05511	0.9
162.09137	4.7
163.03905	1.0
163.07497	0.3
163.11147	0.3
180.03737	3.3
180.06441	1.9
180.10172	5.8
180.15038	1.0
181.04990	0.5
181.12190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1021
Annotation	(2S,3S)-3-Methylphenylalanine
Peak:m/z	Relative Intensity
53.03951	0.3
53.94833	0.2
55.01864	0.3
56.96563	0.4
60.04520	0.3
65.03935	0.4
67.05505	0.4
69.03424	0.4
69.73264	0.8
69.73676	0.4
70.06601	1.3
72.08172	0.4
79.05502	2.4
80.05009	0.8
84.08147	0.3
85.02919	0.3
88.03989	1.0
89.03899	0.2
91.05474	1.2
93.07043	1.4
94.06561	0.3
95.04977	0.5
98.97581	0.8
103.05473	3.3
105.07034	2.9
106.06559	0.8
107.04966	2.7
108.04491	2.7
110.06087	0.4
112.07641	0.3
112.08753	0.4
116.98621	0.5
117.03389	0.5
117.05744	0.5
117.07043	0.5
118.06553	0.6
119.04984	0.2
119.07333	10.7
120.06605	0.2
122.06040	1.2
122.87495	0.2
124.04745	0.2
124.07669	0.2
131.04953	2.1
134.06190	1.2
134.09659	100.0
134.99641	0.3
135.04413	0.8
135.06688	0.3
135.10007	1.8
137.05965	0.4
138.09105	0.4
139.03914	0.3
145.02846	0.6
152.07069	1.6
153.64455	0.2
162.05435	0.4
162.09085	1.1
163.03899	1.7
163.06111	0.3
164.10698	0.7
180.03786	0.8
180.06589	1.0
180.08766	0.7
180.10196	6.7
180.13760	0.4
190.20299	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	4.0
55.01875	8.2
55.05264	1.4
55.05513	22.3
57.03426	3.6
57.07076	1.3
65.03952	2.0
67.05508	89.9
69.03446	2.2
69.07074	14.6
70.73212	2.7
71.04992	3.5
73.02959	0.9
79.05499	57.8
79.05965	2.8
81.03422	16.2
81.07063	100.0
83.04990	26.3
83.08629	11.7
85.06535	4.6
91.05484	47.6
93.07049	41.4
95.04980	11.4
95.06106	1.1
95.08613	74.3
97.06537	28.7
97.10139	2.8
99.08089	3.5
105.04539	1.3
105.07043	26.7
106.06640	1.2
107.08607	12.0
109.06525	6.8
109.10162	14.2
111.08091	6.4
112.07548	2.1
113.09643	6.6
117.07008	2.0
119.04929	2.1
119.08586	35.8
120.08121	1.9
121.10168	7.5
123.04449	2.4
123.08131	5.0
123.11739	2.3
131.08563	1.6
133.02913	1.5
133.06560	1.6
133.09126	1.4
133.10133	23.3
134.09650	1.7
135.11713	9.3
136.02226	1.1
136.09967	3.8
137.09615	3.4
137.10756	5.1
137.13283	2.0
139.52019	1.1
147.04369	5.2
151.07573	1.2
161.06055	1.2
161.09576	1.4
161.13274	22.7
162.00031	1.3
162.09161	3.2
173.08995	1.2
178.07977	1.2
179.03421	6.6
179.04813	1.3
179.06471	4.5
179.08597	4.5
179.10434	2.1
179.11905	21.2
179.14317	63.9
180.10210	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.45238	0.9
52.39955	0.8
53.03943	3.3
55.01664	0.9
55.01875	8.9
55.05510	12.5
57.03436	7.5
57.07062	2.9
58.07378	0.8
59.05000	1.0
65.03931	3.2
67.05508	47.2
69.03437	5.2
69.07070	14.4
69.25237	6.1
69.25660	2.5
71.04996	7.7
72.08135	1.6
76.02241	1.2
77.03912	1.2
78.04697	0.8
79.05496	31.9
81.03424	1.7
81.07060	100.0
83.04987	8.5
83.08614	4.6
85.06555	7.5
89.03909	1.8
91.05483	46.0
92.05820	1.6
93.07047	46.5
95.04980	8.9
95.08610	83.4
97.06536	22.2
98.09702	1.0
99.08088	7.4
101.24802	1.0
103.05475	1.6
105.03392	2.1
105.04544	0.8
105.07034	50.6
106.07338	1.1
107.04947	1.5
107.08593	22.0
108.04483	1.8
109.02892	1.1
109.06534	11.0
109.10159	22.6
111.08089	6.0
112.07627	1.2
113.09644	1.4
115.05460	1.0
117.03375	1.9
117.07018	4.2
119.04952	18.8
119.08586	57.4
120.08109	2.3
120.08881	1.3
121.06517	2.9
121.10149	20.8
123.04443	6.5
123.08082	12.1
123.11703	9.9
127.52830	1.0
127.53817	0.9
131.08472	1.2
133.02875	5.0
133.06494	5.4
133.10139	43.8
134.06027	1.7
135.04350	1.8
135.08151	1.3
135.11702	35.9
136.05220	2.6
136.09958	3.0
137.05984	10.4
137.09608	6.8
137.10753	4.0
137.13237	3.4
143.08553	1.2
145.89758	0.8
147.03368	2.1
147.04419	26.2
148.04797	0.8
151.03923	2.0
151.07559	3.1
151.11104	4.4
151.14832	1.4
159.11725	1.1
161.06003	7.0
161.09705	4.9
161.13268	86.6
162.09129	4.6
162.13614	1.6
178.07742	1.1
179.03415	19.0
179.06976	14.1
179.08565	3.0
179.10619	6.4
179.12067	9.8
179.14313	85.4
179.17833	2.3
180.06494	0.9
180.10211	2.4
180.14633	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03949	4.8
55.01877	7.7
55.05512	28.1
56.01435	0.7
57.03451	3.5
57.07071	1.6
59.05001	1.2
60.87958	0.7
65.03940	4.5
67.05508	100.0
68.05042	1.0
68.05844	1.0
69.03436	2.2
69.07069	15.5
71.04993	2.9
71.56808	0.9
73.01176	0.7
73.06575	1.3
77.84994	0.6
79.05496	64.6
80.05847	1.0
81.03067	0.4
81.03422	23.1
81.07059	93.5
82.07391	0.8
83.04479	1.5
83.04982	33.9
83.08620	13.3
85.06542	3.3
91.05483	55.1
93.07050	45.8
95.04978	11.8
95.06105	3.9
95.08610	70.0
96.04483	0.9
96.08956	1.1
97.04050	1.0
97.06535	33.3
97.10180	3.9
98.98502	0.7
99.08092	3.0
105.04530	1.1
105.07037	28.4
106.06583	1.0
107.08598	13.1
109.01184	0.9
109.06525	7.2
109.10154	12.2
111.08080	8.3
112.07589	1.0
113.09643	7.2
117.07016	1.9
119.04970	1.5
119.08585	30.8
120.08113	1.1
121.06529	0.9
121.10143	7.1
123.04433	1.9
123.08075	5.1
123.11735	1.3
131.08589	1.5
133.02820	0.7
133.10136	22.3
134.09653	1.1
135.11707	7.4
136.02182	1.2
136.08925	0.8
136.09993	3.6
137.07236	1.4
137.08229	9.1
137.09639	1.9
137.10623	4.0
147.04419	1.5
151.11217	0.8
159.11714	1.4
161.13264	17.0
162.09093	1.3
164.03999	1.5
166.05971	0.8
179.03452	3.5
179.06459	6.2
179.08426	1.3
179.09227	1.6
179.11920	20.2
179.14304	57.3
180.10210	0.9
180.12195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03946	8.1
54.97168	1.4
55.01875	6.8
55.05519	26.7
57.03445	2.1
57.07071	2.5
59.75978	1.6
65.03941	4.8
67.05508	100.0
69.03436	2.0
69.06762	2.1
69.07073	17.7
70.68806	5.1
72.07090	1.7
73.01132	2.0
77.78187	1.8
79.05498	67.0
81.03423	19.5
81.07063	91.7
83.04988	41.5
83.08621	15.4
85.06541	3.2
91.05488	56.2
93.06476	3.3
93.07049	47.5
95.04984	11.6
95.08613	69.8
97.06539	29.5
97.10168	2.3
99.08098	4.1
104.56432	1.9
105.07039	29.4
107.08613	14.0
109.06528	7.4
109.10172	14.9
111.08077	10.3
113.09667	8.8
117.07040	2.0
119.08590	32.3
120.08107	1.7
121.10159	6.8
123.08107	4.9
129.23274	1.7
133.10136	20.1
135.11703	6.7
137.81082	1.6
159.11766	2.5
161.13246	19.8
179.03407	5.7
179.06441	3.4
179.11797	6.4
179.14314	48.2
179.15822	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03940	1.5
55.01853	3.3
55.05508	9.6
57.03436	6.8
57.07068	1.7
59.04997	0.8
65.03931	2.7
67.05509	41.0
69.03417	2.8
69.07069	9.7
70.95029	1.0
70.95377	1.6
71.04979	3.9
76.10513	1.0
79.05495	29.1
79.05959	1.4
81.03428	1.8
81.07062	99.8
83.04988	9.8
83.08622	5.2
85.06541	7.7
89.00622	1.1
91.02162	1.1
91.05486	35.6
93.06474	1.9
93.07052	41.1
95.04988	4.3
95.08611	74.8
97.05928	1.2
97.06536	17.7
99.08099	7.9
103.05474	1.3
105.04514	0.9
105.07038	37.6
107.07883	1.1
107.08604	21.7
109.06520	5.2
109.10157	7.0
111.08086	7.6
112.07584	0.8
117.07011	2.8
119.04971	7.8
119.08588	55.3
121.10150	15.3
123.04421	2.7
123.08072	9.7
123.11734	1.1
127.98124	0.9
131.08652	1.1
133.02948	1.5
133.06502	2.4
133.10139	39.1
135.11700	32.3
136.18631	0.9
137.09651	5.2
137.10577	1.4
137.13235	2.6
147.04428	13.8
151.11227	1.9
151.14781	1.2
159.11694	1.2
161.06018	2.3
161.13268	90.7
162.09129	2.1
162.13559	1.8
179.03424	7.9
179.06979	8.9
179.08574	1.9
179.10667	2.8
179.11797	5.7
179.14317	100.0
180.10120	0.9
180.14630	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.12834	1.2
53.03941	4.1
54.20043	1.3
55.01860	5.4
55.05518	20.7
56.96552	3.9
57.03438	6.7
57.07073	6.7
57.15074	1.5
59.04988	2.7
65.03933	3.5
67.05510	87.0
68.05856	1.8
69.03434	10.0
69.07077	14.5
71.05004	9.4
73.01144	2.5
79.05502	27.5
81.03406	6.0
81.07062	70.5
83.04975	6.1
83.08613	6.2
85.06540	2.5
85.10164	2.1
89.00627	2.5
89.02390	2.3
91.05489	31.5
92.59795	1.4
93.07053	28.0
95.04984	25.5
95.06083	1.9
95.08613	100.0
96.69176	1.4
97.06551	4.1
99.08122	1.6
105.07047	31.3
107.04952	1.8
107.06107	1.6
107.08598	17.7
109.06526	13.6
109.10165	50.3
110.05360	1.4
110.06065	3.0
111.04433	1.4
111.08069	2.2
112.07603	6.4
117.06983	2.3
118.24025	1.4
119.04935	5.8
119.08586	27.3
120.08088	4.8
121.06497	4.7
121.10131	5.8
123.04475	7.1
123.08082	21.1
123.11761	3.3
124.08427	1.4
133.02905	4.8
133.06476	3.3
133.10123	21.5
134.09637	4.9
135.09233	1.8
135.11700	7.6
136.09959	12.2
137.05986	2.2
137.07013	1.6
137.09624	21.0
137.10730	12.6
137.13246	2.1
138.09129	3.3
139.81905	1.5
147.04396	7.3
151.03844	2.2
151.11195	3.2
151.14833	10.0
161.06001	4.0
161.09592	5.1
161.10835	2.1
161.13269	13.7
162.09166	15.4
164.04076	2.4
178.07774	1.8
179.01999	2.3
179.03410	16.3
179.06454	16.3
179.08508	6.9
179.11902	60.8
179.14301	56.8
180.06586	3.1
180.10184	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	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03985	1.4
55.01629	0.9
55.01873	12.3
55.05513	3.0
56.73961	0.4
57.07108	0.4
58.99619	0.9
59.05034	0.4
65.03962	0.8
67.05506	3.6
68.60458	0.4
69.03427	4.0
69.07086	0.5
71.55489	0.4
72.08186	0.4
76.02232	1.9
79.05497	9.0
80.05068	0.4
80.87968	0.4
81.07062	36.1
82.07433	0.6
83.05014	1.1
89.03959	1.4
90.91530	0.4
91.04655	0.7
91.04859	0.6
91.05481	11.6
93.07048	5.2
95.04971	4.1
95.08630	2.6
97.06578	0.6
103.05501	0.5
105.03429	1.6
105.04554	0.5
105.07035	16.7
106.06628	0.6
107.04953	0.7
107.08600	6.5
108.04492	1.0
109.06524	14.6
109.07242	0.7
109.10162	5.5
111.04449	1.9
115.05473	1.3
117.03390	0.9
117.07066	1.3
118.07824	0.7
119.04073	0.9
119.04925	5.0
119.08586	4.0
120.08126	0.4
121.06509	3.0
121.10163	1.3
123.04411	3.3
123.08072	1.8
123.11720	1.8
125.06019	1.6
128.06221	2.1
131.04889	0.5
131.08595	2.5
133.02878	2.8
133.06500	1.7
133.10133	22.7
134.05949	0.5
134.09639	0.7
135.04436	1.0
135.08025	1.0
135.11655	1.0
137.05984	100.0
137.09590	8.5
138.06425	1.3
143.08572	3.4
146.07274	1.8
147.03389	1.4
147.04417	6.0
151.03886	0.8
151.07585	2.0
151.11191	2.5
152.06972	0.5
161.02373	0.7
161.06007	2.0
161.08292	0.9
161.09627	15.1
161.13232	0.6
162.02121	0.4
162.09055	0.8
173.97850	0.4
179.03421	11.1
179.07219	4.3
179.10622	15.4
179.11705	1.1
179.14246	1.5
180.06531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03945	1.3
55.01862	2.0
56.96571	2.5
57.03423	1.1
57.07077	0.5
58.99590	16.6
60.04534	0.7
61.01153	0.5
64.63338	0.5
65.03938	3.3
67.05506	2.9
68.99796	0.8
69.03426	2.1
69.07049	0.9
70.00629	0.4
70.06603	1.6
71.54835	0.6
72.08162	2.2
73.01150	1.3
73.02920	0.9
76.02231	50.6
76.04004	2.0
76.04401	0.4
77.03922	0.5
79.05505	3.2
80.05029	1.0
81.03416	1.7
81.07060	2.7
83.04979	0.5
84.04533	0.6
84.08141	2.4
85.02899	1.1
86.09718	0.6
86.99057	3.8
88.02206	1.4
89.03928	1.4
91.05483	47.7
92.05000	0.5
92.05822	1.0
93.07043	1.1
94.04210	0.6
94.06590	0.6
95.04990	3.8
95.06081	1.3
95.08621	1.3
97.02891	1.7
98.97581	1.6
103.05458	0.4
105.03424	3.0
105.07018	4.3
106.06570	1.4
106.07339	0.9
107.04937	1.5
107.08570	1.2
108.04491	2.2
108.08154	0.6
109.02877	0.9
109.06542	1.4
109.10177	1.0
110.06023	0.8
112.07632	1.3
114.84430	0.4
116.01684	12.5
116.98640	1.1
117.03386	0.9
117.05746	0.5
117.11063	0.7
119.01904	1.7
119.04946	93.4
119.08608	1.4
120.05274	1.3
120.08115	0.6
121.06520	1.6
123.04433	17.2
123.08097	1.4
125.53346	0.7
132.08058	0.8
133.02849	12.4
133.06459	2.3
133.08429	1.2
133.10168	2.6
133.11037	0.7
134.06027	2.3
134.09619	1.1
134.99731	0.5
135.04433	3.2
135.06714	0.6
136.05215	1.8
136.07608	0.7
136.09955	1.6
137.05983	11.6
137.07053	0.9
137.08165	1.2
137.09717	0.7
137.10788	1.3
144.01137	5.0
146.03577	1.3
146.53966	0.6
147.04413	100.0
148.04767	2.1
151.03941	4.9
151.07581	5.8
151.08713	1.1
151.11160	1.5
151.94112	0.7
152.07050	0.9
158.99640	0.6
159.03256	0.6
161.02882	0.6
161.05980	3.3
161.07138	0.8
161.09624	1.3
162.02222	5.1
162.05490	1.2
162.09180	2.6
163.62636	0.5
164.04739	3.6
179.03404	41.8
179.07018	26.4
179.08311	1.2
179.10582	2.4
179.11899	6.5
180.03813	0.8
180.06491	0.7
180.08798	2.1
180.10248	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02390	0.4
53.03942	0.3
53.43250	0.2
55.01869	0.3
59.72164	0.2
67.05503	0.6
69.46905	1.7
77.03922	1.3
79.05482	0.4
81.03409	0.3
89.03920	2.0
91.05475	0.4
95.04965	1.5
98.20715	0.2
102.73286	0.2
105.03397	3.6
105.04439	0.2
105.07026	0.4
107.04986	0.3
109.02889	0.4
117.03397	1.2
119.04980	0.3
119.08626	0.2
123.04434	38.8
124.04721	0.3
133.02858	29.2
134.03175	0.5
135.04428	4.6
147.04416	0.4
151.03915	9.9
179.03403	100.0
180.03796	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	Valerianine
Peak:m/z	Relative Intensity
53.03955	0.4
57.34833	0.3
61.13404	0.3
66.13288	0.3
70.71904	0.4
70.72232	0.5
75.71211	0.3
79.05499	0.3
83.10560	0.3
87.09368	0.3
88.02207	0.4
89.03918	0.5
91.05505	0.9
93.05788	0.4
93.07034	0.5
104.04971	0.4
105.07030	0.6
108.04485	0.4
115.05463	0.4
117.03354	0.5
117.07040	1.2
118.03749	0.7
118.06544	7.5
118.96787	0.8
119.04931	0.5
119.07329	9.2
121.06493	0.4
121.14397	0.3
123.04425	1.9
132.08092	1.1
133.02864	1.5
134.09656	55.8
135.04370	0.4
135.10025	1.1
146.03185	1.2
147.04402	1.4
150.05450	0.5
151.03899	0.7
154.96455	0.5
160.03960	1.3
160.11169	0.7
162.09122	1.2
163.09906	1.1
178.04962	5.1
178.12274	100.0
179.03416	4.4
179.12679	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03955	0.7
55.01870	0.5
57.92647	0.3
64.66009	0.2
67.05509	1.0
69.04380	0.3
69.59571	1.4
77.03931	1.3
79.05496	0.7
81.03419	0.4
81.07041	0.3
81.88301	0.2
89.03909	2.0
91.05487	1.0
93.07101	0.3
95.04974	1.5
95.08645	0.4
95.97294	0.3
105.03395	3.7
105.07078	0.6
107.04977	0.3
109.02857	0.5
109.19159	0.3
117.03397	1.0
119.04926	1.1
119.08610	0.4
119.71739	0.2
121.10142	0.3
123.04434	41.6
123.08060	0.9
124.04765	0.3
133.02859	28.5
134.03191	0.4
135.04416	4.7
137.05992	0.6
137.09589	0.3
147.04393	1.4
151.03912	10.3
161.02365	0.4
161.06006	0.5
161.13266	0.2
179.03401	100.0
179.14217	0.4
180.03752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0863
Annotation	Clausamide II
Peak:m/z	Relative Intensity
50.38628	0.3
51.88478	0.4
52.13726	0.4
53.03934	0.5
55.05508	0.7
58.02968	10.0
59.93105	0.6
65.03939	0.6
68.42267	0.5
70.43215	0.8
72.08166	0.7
77.03952	0.6
79.05505	1.5
80.05008	0.6
81.03428	0.5
81.07053	0.4
86.00658	0.5
88.02219	1.7
89.00610	0.4
89.03931	1.2
90.04258	2.4
91.05486	12.1
92.05021	0.9
93.05796	0.5
93.07063	1.7
94.06570	0.5
95.04980	1.3
97.82669	0.4
98.97643	0.4
98.98488	0.6
103.05464	0.8
104.05008	0.9
105.03403	0.7
105.07040	1.8
106.06566	1.0
107.04982	1.7
107.08566	0.8
108.04492	0.8
109.02909	0.6
115.05410	0.6
117.03397	1.0
117.07033	1.5
118.03725	3.4
118.06549	8.0
118.96770	4.0
119.04948	26.1
119.07322	8.4
120.05312	0.5
121.06516	10.4
122.06052	1.0
122.06863	0.7
123.04433	3.6
132.04462	1.4
132.08080	1.3
133.02904	2.1
133.10121	0.5
133.99133	0.9
134.09662	58.3
135.09988	0.7
136.07574	2.2
136.95450	0.5
137.05989	0.9
145.02899	0.6
146.03195	5.4
147.04417	79.6
148.04735	1.2
150.05380	2.4
150.06422	1.3
150.09151	0.9
151.03885	1.0
154.96469	1.6
160.03918	2.4
160.07590	0.7
160.11229	1.0
161.06070	0.5
162.09145	1.6
163.06281	1.6
163.09933	1.3
172.95270	0.5
172.97520	0.5
177.98077	1.4
178.04924	11.0
178.08672	19.0
178.12274	100.0
179.03413	9.4
179.12810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63863	0.9
53.03951	1.6
55.05521	6.1
63.02393	2.3
65.03957	1.2
67.05511	5.1
67.78478	0.6
69.03456	1.4
69.07076	15.9
78.04726	2.8
78.66216	0.6
79.05499	10.0
81.07062	11.4
83.08621	8.6
89.03927	47.1
90.04260	1.1
91.05483	11.9
93.07053	23.6
95.04974	2.5
95.08614	24.8
97.10182	1.8
98.98486	5.2
103.05480	4.7
105.03397	1.2
105.06361	0.9
105.07036	6.8
106.04198	7.3
107.04980	2.6
107.08603	47.1
109.06509	1.3
109.10167	8.6
115.05486	0.8
117.03391	79.1
117.07023	2.1
118.03712	1.8
119.04946	1.5
119.08592	2.0
120.08126	1.5
121.06535	4.7
121.10153	62.9
124.05270	0.9
129.04572	0.7
131.04927	2.9
131.08591	2.3
131.79478	0.7
133.10135	1.8
134.03636	11.5
135.04451	5.9
135.10793	1.2
135.11710	9.3
136.49640	0.6
140.86783	0.6
145.02858	100.0
146.03191	1.9
149.02319	1.0
149.06000	30.7
149.09622	1.6
149.13278	3.8
150.06326	1.0
159.04297	0.7
159.11708	2.3
162.03116	4.2
162.06786	0.7
163.03905	2.7
165.08554	0.6
176.96657	0.7
177.05482	35.0
177.09085	4.6
177.12840	4.6
177.16418	34.3
177.17537	0.6
177.18013	0.9
186.05524	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03938	1.9
55.01866	1.3
55.05514	10.4
57.07081	1.6
57.93556	0.9
58.10952	0.9
58.63774	1.0
67.05505	5.6
69.07074	16.0
69.28289	10.5
77.27567	1.1
78.04707	4.3
79.05499	12.5
81.07063	15.6
83.08627	10.3
89.03924	47.1
91.05484	14.1
93.06468	2.1
93.07047	29.8
95.04977	3.8
95.08615	30.8
97.10165	2.4
98.98472	6.2
103.05473	4.3
105.04520	1.0
105.07040	7.5
106.04183	8.1
107.04987	1.9
107.08603	45.9
109.06518	1.7
109.10183	8.2
117.03386	74.7
117.07024	1.1
118.03704	1.4
119.04926	1.2
119.08585	4.1
121.06562	5.2
121.10152	64.2
121.99261	1.1
123.08133	1.8
124.05283	1.4
124.73549	1.0
125.70139	1.0
131.04964	3.1
131.08572	4.0
133.06468	1.1
133.10063	1.1
134.03641	9.3
135.04440	4.7
135.11705	12.9
145.02859	100.0
146.03201	2.9
149.02357	1.8
149.05997	32.1
149.07071	1.1
149.09679	1.1
149.13281	4.3
149.94566	1.5
159.11688	2.8
162.03181	4.0
163.03909	2.5
177.04294	0.6
177.05482	36.2
177.09120	3.8
177.12868	5.8
177.16409	40.1
178.88135	0.9
186.05540	1.3
192.68947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02341	1.7
53.03946	2.7
53.42270	1.7
54.03455	1.8
55.05308	1.4
55.05512	16.4
56.05027	2.6
61.75066	1.6
67.05518	12.0
69.06729	2.6
69.07073	39.7
73.77444	1.5
79.05493	31.3
81.07061	100.0
82.05337	1.4
83.08614	11.3
87.39523	1.5
88.02259	3.1
89.03918	17.8
91.05482	13.9
93.06477	3.0
93.07050	48.6
95.04939	4.4
95.06069	4.1
95.08613	53.2
95.80355	1.5
97.10154	6.8
98.98468	26.9
103.05441	2.1
105.07021	8.3
107.08599	97.0
109.07658	2.2
109.10167	18.8
117.03383	28.1
119.06013	2.4
119.08571	2.0
121.06537	2.7
121.10150	85.6
122.10431	1.8
131.08578	3.2
134.03647	3.4
135.04411	3.2
135.06653	3.4
135.08101	1.7
135.09047	1.9
135.11691	19.2
136.07651	1.8
136.08672	5.2
137.09482	2.0
145.02861	32.0
149.02284	4.3
149.06042	10.5
149.07051	2.7
149.09599	1.7
149.13278	4.8
162.03229	1.9
163.03951	2.5
177.05472	15.4
177.06720	2.4
177.08994	3.0
177.11353	7.3
177.12802	7.6
177.16388	74.0
186.05554	3.0
187.36121	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.3
52.52353	0.8
53.03928	4.4
55.01862	2.3
55.05273	0.9
55.05515	13.2
55.25466	1.1
56.96558	3.5
57.07063	2.2
60.07738	1.0
61.22041	0.9
63.02357	1.4
65.03922	2.4
67.05506	41.9
69.07066	12.0
71.55213	1.1
78.04699	2.9
79.05492	65.8
81.03399	1.7
81.07061	39.8
83.04968	2.1
83.08635	10.1
85.04040	1.0
88.02188	1.2
89.03917	36.3
90.04203	1.0
91.02178	1.1
91.05482	67.1
93.07047	86.5
94.07416	1.1
95.04974	7.3
95.08607	51.3
97.06505	2.0
97.10173	2.7
98.97858	1.9
98.98469	26.6
102.50447	0.8
103.05459	5.1
105.04497	1.9
105.07031	44.6
106.04152	3.3
107.04964	6.0
107.08595	45.7
109.06504	3.0
109.09445	1.7
109.10153	18.5
115.05437	3.3
116.06232	9.7
117.03384	58.1
117.07024	7.4
119.04932	1.4
119.08589	4.2
121.02938	1.2
121.06512	6.4
121.10143	100.0
122.10519	1.2
124.05175	1.6
129.07030	5.6
131.08568	99.7
132.08873	1.9
133.10135	20.7
134.03647	10.9
135.04434	15.5
135.08022	3.6
135.10680	2.0
135.11685	36.4
136.04755	1.1
141.06975	1.3
144.09300	1.3
145.02847	77.2
146.03166	1.9
149.02338	5.6
149.05984	25.1
149.09634	7.3
149.13232	6.3
154.06439	1.7
156.16728	0.9
158.06044	1.0
159.08069	15.7
159.11693	9.6
162.03047	2.5
163.03897	4.6
163.07008	1.7
165.57347	1.0
177.05440	27.8
177.09087	25.3
177.10667	1.1
177.12762	24.0
177.16376	49.1
178.04906	1.0
186.05504	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.77467	0.9
53.03947	2.0
54.24966	1.0
54.87602	0.9
55.05512	16.6
57.07069	2.6
59.06202	1.1
64.62505	0.9
65.03945	1.8
67.05505	11.5
69.07070	41.4
69.54328	5.9
69.54745	1.9
77.33392	1.1
79.05493	34.1
81.07058	100.0
83.08618	16.3
89.03915	8.4
91.05476	11.9
93.07046	56.2
93.07523	0.8
95.04980	2.7
95.08607	60.2
97.10165	6.7
98.98463	7.5
103.05473	1.0
105.07047	8.8
107.08595	100.0
109.06533	1.5
109.10159	20.8
117.03387	17.5
119.08533	2.2
121.06471	1.4
121.10143	98.7
122.10560	1.2
125.50203	1.1
131.08540	3.0
134.03610	3.0
135.04395	1.6
135.11694	16.8
145.02856	19.4
149.02399	1.6
149.05969	6.7
149.13274	6.6
153.93640	1.1
159.11694	2.1
177.05455	5.8
177.09039	1.7
177.12962	5.1
177.16391	94.3
178.16809	1.7
186.98247	1.0
194.78622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03940	3.2
55.01857	2.8
55.05514	13.2
57.07072	2.3
61.46725	0.9
66.16288	0.9
66.46774	0.9
67.05507	42.7
69.03431	1.3
69.07070	13.2
71.55659	1.6
78.04694	1.4
79.05497	64.7
80.29666	0.8
81.07060	44.2
81.79095	0.9
83.04982	1.1
83.08633	8.3
83.14728	1.0
88.04029	1.1
89.03921	27.4
89.04478	1.4
91.05479	22.6
93.07049	82.7
94.70181	0.9
95.04974	9.1
95.08610	49.0
97.06541	2.2
97.10164	3.2
98.98472	23.4
99.08120	0.9
103.05459	1.8
105.04513	1.2
105.07039	10.9
106.04185	2.3
107.04926	2.6
107.08599	47.2
109.06518	3.0
109.10162	18.8
117.03390	37.7
117.07009	6.3
119.08588	2.6
121.06520	2.7
121.10148	100.0
122.10442	2.3
129.07024	1.6
131.04948	1.0
131.08577	8.8
133.10089	8.0
134.03667	4.6
135.04463	4.8
135.08086	3.5
135.11697	40.2
145.02850	44.5
149.02354	3.6
149.05981	15.2
149.13275	7.5
159.07982	2.1
159.11702	15.2
162.03137	1.2
163.03909	2.6
177.05447	18.2
177.06610	1.3
177.09097	3.2
177.12782	32.2
177.16409	53.1
178.16779	1.3
186.05602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.99699	1.6
55.05516	15.7
57.07066	1.6
61.59854	1.6
62.30426	1.6
67.05511	9.3
69.06724	2.8
69.07076	37.7
70.81485	3.9
79.05502	29.6
81.07063	100.0
83.08624	13.9
87.60380	1.8
89.03929	4.9
90.42384	1.7
90.44954	1.4
91.05470	8.6
93.07056	48.7
95.08617	60.3
97.10175	7.2
98.21315	2.0
98.98468	7.1
105.07040	9.7
107.08606	99.0
108.08913	2.1
109.10168	18.3
117.03419	8.7
119.06121	2.0
121.10153	96.0
122.10532	1.7
135.11716	16.2
145.02866	8.3
149.06017	3.2
149.13292	7.1
177.05458	2.5
177.16405	90.8
178.16714	1.9
181.37311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03948	3.1
55.01871	2.4
55.05512	10.9
57.07061	2.0
65.03936	1.3
67.05503	10.5
69.06723	2.5
69.07069	34.8
69.41959	4.8
69.42385	6.1
75.54202	1.2
77.03932	1.5
78.04720	3.1
79.05492	19.9
81.03408	2.0
81.07060	18.7
83.08614	17.6
87.40273	1.4
88.02220	1.8
89.03915	41.2
91.05485	18.2
93.07045	41.7
94.89973	1.5
95.04965	3.7
95.08607	38.8
96.08900	1.7
97.10148	4.0
98.20810	2.9
98.98464	37.8
103.05460	3.9
105.07032	15.9
106.04185	3.4
106.07853	1.5
107.04964	4.0
107.08595	81.3
108.60020	1.3
109.06545	2.3
109.10169	13.1
115.05471	1.8
117.03384	59.1
117.07012	3.4
119.08585	4.5
121.06494	5.7
121.10144	100.0
131.04935	2.3
131.08586	9.1
133.10150	6.8
134.03661	10.3
135.04402	8.5
135.08099	2.9
135.11700	20.2
139.47069	1.6
145.02849	76.3
146.03160	1.8
149.02345	9.4
149.05988	28.8
149.09624	3.1
149.13248	9.2
150.05470	1.5
153.93771	1.9
158.06059	1.3
159.04318	1.6
159.08054	2.4
159.11688	8.9
162.03156	4.0
163.03920	3.6
173.20581	1.3
177.05467	31.6
177.06659	2.0
177.09116	6.3
177.10410	3.1
177.12787	21.9
177.16397	74.3
178.08621	2.4
178.16789	1.6
186.05490	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	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03943	3.2
55.01862	1.8
55.05519	14.1
57.07077	2.3
63.55785	1.6
64.81085	1.6
65.03945	2.0
65.66268	1.5
67.05223	1.4
67.05511	16.0
68.12688	1.4
69.07072	38.9
71.05656	2.5
79.05502	35.8
81.07066	74.7
83.08633	17.1
89.03926	27.8
91.04978	1.9
91.05493	23.3
93.07056	72.8
95.04973	5.3
95.08619	63.5
95.09049	0.8
95.09248	2.2
97.06519	2.4
97.10174	6.4
98.97874	1.4
98.98477	23.8
103.05496	1.8
105.04536	1.7
105.07040	14.8
107.04969	12.2
107.08606	90.4
108.08965	2.5
109.06505	4.0
109.10165	19.9
117.03391	36.8
117.07032	6.6
119.08556	3.8
121.06536	3.8
121.10155	100.0
123.11710	1.4
131.08543	7.3
132.73314	1.4
133.10138	10.4
134.03632	7.4
135.04427	4.2
135.08003	2.9
135.11699	22.0
135.12692	1.7
138.53561	1.4
144.09378	1.8
145.01753	3.1
145.02855	42.0
149.02350	5.0
149.06003	15.9
149.09673	2.1
149.13286	13.9
158.06021	2.1
159.08046	1.9
159.11705	11.7
163.03882	3.1
177.05467	16.6
177.06657	1.6
177.09019	2.0
177.10390	2.4
177.12784	30.8
177.16405	94.9
178.04970	1.6
178.16721	2.4
186.05452	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03933	6.1
55.01861	6.8
55.05515	33.0
57.03424	8.0
57.07066	5.3
64.61242	1.7
65.03944	4.3
67.05510	23.1
69.03429	6.8
69.06734	2.4
69.07072	34.8
70.21986	7.2
71.04982	8.1
78.04714	3.9
79.05495	62.7
81.07059	43.5
83.04985	5.3
83.08644	11.1
85.06564	3.4
89.03921	30.8
91.05489	58.3
93.07050	100.0
95.04984	14.8
95.08611	21.7
97.06519	3.7
98.98475	15.1
103.05477	9.4
105.04562	2.6
105.07035	41.0
106.04176	5.7
107.04969	16.5
107.08601	74.9
109.06511	13.7
109.10139	3.5
115.05426	5.2
117.02616	3.3
117.03389	45.3
117.07024	42.3
119.06063	1.7
119.08604	18.3
121.06519	26.6
121.10148	33.6
122.07268	2.4
123.08129	2.3
129.07018	7.2
130.07800	7.4
131.04936	5.5
131.08578	41.4
133.06514	3.3
133.10110	14.2
134.03595	7.1
135.04428	6.4
135.08069	14.1
135.11714	12.6
144.09308	8.5
145.02850	59.0
147.11725	2.8
149.02344	2.5
149.05983	19.5
149.09633	4.7
149.13258	16.7
159.11697	34.1
162.03122	2.8
163.03809	2.3
177.05481	31.2
177.09067	5.9
177.12753	72.0
177.16405	10.1
178.12915	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03948	2.7
54.32655	0.9
55.01864	4.0
55.05519	6.4
57.03436	1.2
59.32446	0.8
65.03934	1.4
67.05511	21.1
69.03423	1.5
69.07069	8.4
69.38167	1.6
69.38575	5.2
71.04993	1.3
78.04733	2.0
79.05499	30.6
79.05968	1.6
81.03426	5.8
81.07065	33.4
83.04975	3.4
83.08619	4.0
85.06530	1.4
88.02232	1.3
89.03926	23.1
91.05486	31.5
93.07050	50.4
95.04971	10.7
95.08613	12.3
97.06546	9.5
98.98476	19.8
99.08080	1.0
103.05463	2.4
105.07032	20.4
106.04159	1.9
107.04983	5.8
107.08602	22.8
109.06524	4.0
109.10172	2.1
111.08096	3.2
115.05432	1.5
117.03390	36.3
117.06226	1.5
117.07023	21.8
118.03716	1.4
119.08575	7.7
121.06538	6.3
121.10149	14.2
123.08095	1.4
124.05241	0.9
129.06996	2.4
130.07745	1.5
131.07588	1.5
131.08582	27.1
132.08910	1.1
133.10141	26.6
134.03612	5.4
135.04460	5.3
135.08054	10.1
135.11702	9.9
144.09366	2.3
145.02850	42.7
149.02356	3.7
149.05986	13.2
149.09634	4.1
149.13272	13.4
157.10158	2.0
159.08061	1.4
159.11700	40.3
160.12105	1.1
162.03137	1.0
163.03925	2.6
177.05495	16.9
177.09126	2.6
177.12767	100.0
178.08627	1.5
178.13152	1.7
186.05533	2.6
190.66832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.38903	0.4
53.03958	0.5
55.05528	0.6
61.74238	0.5
63.02390	1.3
67.05511	1.0
69.07074	0.9
70.70860	1.3
78.04711	3.4
79.05502	1.9
81.07077	0.9
83.08644	0.7
89.03925	51.0
90.04254	0.7
91.05483	4.7
93.07049	3.1
95.04984	1.7
95.08609	1.9
98.98495	2.8
101.75678	0.5
103.05479	2.1
105.03397	1.0
105.07034	1.3
106.04185	5.0
107.04969	1.0
107.08575	2.9
117.03391	85.8
117.07018	1.1
118.03710	1.0
119.04969	1.4
119.08598	1.1
121.02960	0.7
121.06507	1.9
121.10149	3.8
124.05203	0.9
131.04915	0.9
131.08554	1.2
134.03648	10.8
135.04431	6.0
135.11739	1.0
144.18076	0.5
145.02856	100.0
146.03183	1.6
147.04427	0.6
149.05994	27.9
149.09584	0.8
158.06049	0.4
159.11726	0.9
162.03122	2.7
163.03947	2.3
177.05484	30.8
177.09116	1.5
177.12762	1.6
177.16408	1.7
186.05560	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38903	0.4
53.03958	0.5
55.05528	0.6
61.74238	0.5
63.02390	1.3
67.05511	1.0
69.07074	0.9
70.70860	1.3
78.04711	3.4
79.05502	1.9
81.07077	0.9
83.08644	0.7
89.03925	51.0
90.04254	0.7
91.05483	4.7
93.07049	3.1
95.04984	1.7
95.08609	1.9
98.98495	2.8
101.75678	0.5
103.05479	2.1
105.03397	1.0
105.07034	1.3
106.04185	5.0
107.04969	1.0
107.08575	2.9
117.03391	85.8
117.07018	1.1
118.03710	1.0
119.04969	1.4
119.08598	1.1
121.02960	0.7
121.06507	1.9
121.10149	3.8
124.05203	0.9
131.04915	0.9
131.08554	1.2
134.03648	10.8
135.04431	6.0
135.11739	1.0
144.18076	0.5
145.02856	100.0
146.03183	1.6
147.04427	0.6
149.05994	27.9
149.09584	0.8
158.06049	0.4
159.11726	0.9
162.03122	2.7
163.03947	2.3
177.05484	30.8
177.09116	1.5
177.12762	1.6
177.16408	1.7
186.05560	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08419	1.3
56.60612	1.0
60.05641	1.9
61.97821	1.0
70.06591	3.7
70.96017	1.3
70.96362	2.4
71.06923	4.5
79.92062	1.0
117.07413	1.2
132.02126	100.0
150.03217	1.3
167.30542	1.1
176.01100	22.9
176.12241	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
52.60271	0.6
55.05511	8.6
57.07069	0.9
65.03936	0.7
67.05499	2.7
69.07070	23.7
70.06595	1.9
70.68701	2.0
73.49703	0.6
78.10977	0.7
78.90420	0.6
79.05513	3.9
81.07064	8.7
83.08614	5.1
88.27856	0.7
91.05484	9.6
93.07039	3.4
95.08602	7.2
98.98463	7.1
103.05491	0.8
104.06210	0.7
105.07030	27.9
107.08586	6.8
115.05431	1.7
117.07024	4.4
119.08583	90.4
121.10121	2.4
129.07002	0.9
131.08553	5.9
133.10133	77.3
134.10492	1.1
135.11627	1.0
145.10135	7.0
146.10873	1.7
147.08116	0.9
147.11696	15.7
160.05183	0.8
160.12488	4.3
173.13283	2.8
175.07555	2.9
175.11475	3.9
175.14830	100.0
176.15138	1.8
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
55.05517	7.2
57.07068	1.1
66.57879	1.1
69.07072	16.6
71.20374	2.3
79.05496	3.0
81.07063	6.3
83.08612	3.8
90.57907	1.0
91.05491	14.1
93.07030	2.7
95.08613	6.5
98.98463	2.5
105.07043	24.3
107.08615	6.0
109.10221	1.0
114.97397	1.1
115.05446	1.5
117.06997	2.6
119.08590	84.5
121.10153	2.8
126.51921	0.9
131.08582	4.7
133.10139	71.2
134.10579	1.0
145.10114	6.7
147.11696	10.6
160.05174	2.8
160.12445	4.2
173.13316	2.0
175.07597	4.2
175.14838	100.0
176.15164	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03940	1.6
55.05513	10.3
57.07078	1.2
65.03947	1.0
67.05487	3.8
69.07077	15.4
69.30623	5.3
69.31039	3.2
70.06611	1.2
79.05506	6.7
79.05888	1.1
81.06586	1.3
81.07059	21.9
83.08622	3.0
91.05480	20.9
93.07037	9.6
95.08616	14.2
98.98454	2.6
103.05444	1.2
105.07040	56.8
106.07370	1.3
107.08598	11.2
117.07050	4.6
119.08588	98.2
120.08880	1.3
121.10158	2.2
123.26633	0.9
125.20668	0.9
131.08572	11.2
132.09363	1.0
133.10138	62.5
145.10179	4.9
146.10895	5.0
147.11697	20.2
160.12534	1.8
173.13287	2.1
175.14844	100.0
176.15169	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03938	1.3
55.05516	10.9
57.07055	1.1
67.05488	3.6
69.06725	1.4
69.07076	18.6
69.61727	5.6
79.05476	4.0
81.07058	16.9
83.08620	4.4
90.73151	0.9
91.05492	19.3
93.07055	8.7
95.08614	12.1
103.05472	1.0
105.07039	56.0
107.08604	11.3
109.10136	1.2
115.05466	1.2
117.07024	4.1
119.08589	99.2
120.08895	1.4
121.10139	2.5
131.08582	10.8
132.09360	1.4
133.10139	62.9
144.15169	1.0
145.10129	4.2
146.10912	5.2
147.11702	18.3
160.12476	1.7
173.13274	2.7
175.14841	100.0
176.15303	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05312	0.8
55.05512	9.6
58.73191	0.7
65.03889	0.7
67.05506	4.1
69.06726	1.3
69.07072	19.2
70.06583	2.5
70.54456	2.2
79.05500	5.1
81.07062	18.3
83.08636	4.6
91.05489	20.0
93.07043	8.5
95.08614	11.0
98.98459	2.3
103.05502	1.5
105.07033	54.5
106.07364	1.2
107.08598	9.8
117.07012	3.9
118.07748	1.0
119.08586	97.6
119.40875	0.7
120.08900	2.8
121.10126	2.8
122.25908	0.8
127.74058	0.8
131.08586	12.0
132.09323	0.9
133.10135	65.9
134.10454	0.9
142.07689	1.0
145.10117	4.7
146.10922	3.7
147.08028	1.0
147.11690	20.0
157.10190	0.9
160.12505	2.5
173.13292	2.9
175.07520	1.2
175.11292	2.6
175.14836	100.0
176.15147	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93520	0.4
58.52007	0.4
60.05653	36.4
64.83157	0.4
70.06596	100.0
71.04983	2.5
71.06930	0.7
72.08163	4.4
84.08135	1.0
88.07641	0.9
97.02900	0.6
97.07655	0.7
98.06062	0.9
98.98503	0.7
101.00821	0.5
103.02502	0.5
112.08738	5.6
114.10297	1.1
115.08678	0.7
116.07101	28.7
119.01938	1.5
130.09772	13.0
133.03430	1.4
141.06564	0.7
157.10829	1.2
158.09261	8.0
162.32430	0.4
175.04578	1.4
175.11911	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	175.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91735	0.3
57.96777	0.2
60.05653	34.6
61.75214	0.3
68.05025	0.3
70.06596	100.0
70.23609	0.5
70.24007	0.6
71.04985	1.5
71.06927	0.7
72.08157	4.1
72.53792	0.2
84.08144	2.8
95.75809	0.3
97.07673	0.5
98.06075	0.6
112.08736	4.6
113.07121	0.4
115.08712	0.8
116.07101	24.8
125.96872	0.3
129.84230	0.2
130.08698	0.7
130.09767	11.7
146.85223	0.4
157.10873	1.0
158.09265	7.0
171.11736	0.3
175.11913	19.8
175.97217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05651	38.6
70.06597	100.0
71.05003	1.9
71.06934	0.7
71.18636	1.1
72.08153	4.6
84.08150	1.3
88.07631	0.5
93.82037	0.6
95.34296	0.4
97.07659	0.7
103.02477	0.6
112.08749	4.5
114.10286	0.9
115.08698	1.2
116.07098	28.0
119.01849	0.5
130.08795	0.4
130.09763	12.2
132.02130	0.7
133.03413	0.5
134.59032	0.5
138.08690	0.4
151.74557	0.5
157.10895	1.3
158.09267	6.3
175.04547	0.9
175.11917	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05514	3.7
57.07078	1.1
65.03947	0.6
67.05502	2.1
67.62704	0.7
71.06396	0.7
71.06727	1.2
72.93776	1.2
76.58089	0.7
78.06342	0.6
79.05497	1.5
81.07066	3.9
83.04971	2.7
90.94801	0.9
91.05489	13.1
93.07037	1.4
95.08593	0.8
101.06014	1.8
103.05480	1.1
105.06372	1.1
105.07036	11.1
107.08598	0.8
110.16870	0.7
111.04438	2.9
112.27785	0.6
115.05460	2.1
116.06274	3.2
117.07037	7.4
119.08588	15.9
128.06207	1.8
129.05518	0.8
129.07022	10.1
130.07806	5.1
131.08580	80.7
132.08929	1.2
133.10133	2.5
142.07785	1.3
142.54897	0.6
143.08565	24.8
144.09354	10.6
145.10135	33.4
155.07031	2.5
156.09349	1.2
157.10138	0.9
158.10922	33.5
167.97267	0.6
171.11725	2.1
173.05959	1.7
173.08270	3.2
173.13278	100.0
174.13635	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.90489	0.6
53.03937	1.0
55.05513	6.6
59.04982	0.7
65.03934	0.8
67.05521	3.8
71.06810	1.8
72.08155	1.5
72.93796	3.7
75.72504	0.7
79.05486	2.6
81.07056	2.3
83.04979	5.5
85.06570	0.6
90.94830	2.1
91.04977	0.9
91.05491	12.1
93.07021	1.3
101.06020	3.9
105.07044	10.2
111.04456	7.2
113.05984	1.0
115.05458	1.9
116.06239	2.7
117.07038	7.2
119.07803	1.1
119.08597	16.1
127.07573	0.7
128.06255	3.3
129.05492	1.3
129.07021	11.5
130.07771	3.6
131.08582	56.6
133.10150	3.3
141.06958	1.0
142.07774	1.8
143.08572	29.3
143.09700	1.4
144.09363	9.4
145.06488	1.6
145.10138	27.7
149.96132	1.0
155.07072	3.8
156.09344	1.5
157.10168	1.7
158.10930	36.7
167.97238	1.0
171.11734	1.8
173.02434	0.7
173.05965	1.3
173.08237	6.6
173.13280	100.0
174.13673	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03938	1.7
55.05516	23.9
57.03419	1.0
59.05010	4.5
67.05505	3.4
67.22610	1.0
70.06606	1.3
71.06125	1.3
71.35719	1.8
72.08161	4.2
72.93794	5.6
76.02228	3.9
78.59605	0.9
79.05489	2.5
81.07066	4.9
83.04478	1.6
83.04984	26.9
84.05352	1.0
84.08140	1.0
85.06541	1.1
87.04465	1.8
89.02417	1.7
90.90392	11.6
90.94838	4.7
91.05492	15.4
93.07035	2.5
97.02882	0.9
99.04453	1.7
101.06018	16.4
101.17466	0.9
103.03294	7.0
103.05462	1.7
105.07035	18.9
108.91550	0.9
108.95860	1.2
111.03703	1.6
111.04449	24.4
113.06006	2.5
113.96362	0.9
115.05456	2.1
116.06227	3.1
117.07031	11.6
118.06543	1.7
119.08596	10.0
126.52855	0.8
127.07556	3.6
128.06241	2.5
129.05510	12.3
129.06996	11.6
130.07788	3.5
131.08578	100.0
131.92973	2.6
132.08910	1.7
133.10138	1.3
143.08575	18.8
144.09352	9.8
145.06519	1.6
145.10138	32.3
149.94057	8.4
149.96053	1.0
155.03342	1.0
155.07039	21.1
155.08327	1.1
158.07289	2.3
158.10919	22.2
167.97168	1.1
172.95639	1.7
173.05862	1.8
173.08307	31.1
173.09738	5.8
173.13275	88.8
174.13792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.21620	0.6
53.03947	0.9
54.54799	0.6
55.05513	9.5
56.96599	0.6
57.07076	2.0
58.64618	0.5
59.05002	1.6
67.05508	3.9
69.03438	0.5
69.91389	3.0
71.06115	1.1
72.08162	1.6
72.93788	0.8
76.02229	2.0
79.05505	3.9
81.07076	4.0
83.04981	9.2
87.04457	0.8
90.90383	2.0
90.94831	1.2
91.05484	16.3
93.07053	2.4
95.04955	0.6
95.08602	2.0
98.98490	1.0
101.06023	8.4
103.03281	3.5
103.05450	0.6
105.07038	14.8
107.08603	1.0
108.95865	0.6
111.04452	10.6
113.06042	1.5
115.05449	2.4
116.06274	1.8
117.07021	18.0
119.08575	6.3
127.07570	1.6
127.09552	0.6
128.06175	1.3
128.07045	0.6
128.96535	0.5
129.05521	5.2
129.06999	8.8
130.07803	4.2
131.08574	100.0
132.08966	1.8
133.10146	0.7
143.08566	6.4
144.09354	4.7
145.06514	1.3
145.10133	27.3
149.94060	1.6
155.03441	0.6
155.07048	7.1
155.08340	0.9
158.06155	0.9
158.07297	2.3
158.10928	8.5
164.49728	0.6
168.97383	0.5
171.11705	1.4
173.08290	13.4
173.09691	4.4
173.13271	84.4
174.12608	1.2
174.13847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03959	0.5
55.05513	8.3
57.03431	1.0
57.07073	0.8
58.39214	0.4
59.05006	1.5
65.03934	0.7
67.05511	2.5
69.03432	0.4
70.06615	0.5
71.06127	0.7
71.08643	0.7
71.26091	0.5
72.08150	1.2
72.93777	2.5
76.02236	1.1
79.05486	1.8
81.07050	2.5
83.04987	8.6
85.06545	0.5
87.04462	0.5
89.02397	0.8
90.90397	2.6
90.94823	2.6
91.05486	11.2
93.07054	1.1
95.08572	0.5
99.04475	0.8
99.08092	0.5
101.06020	6.2
103.03304	2.6
103.05496	0.6
105.07029	12.3
108.91459	0.5
108.95874	0.6
109.10126	0.5
111.04453	9.4
113.05989	0.6
113.96395	0.4
114.05631	0.4
115.05470	3.0
116.06242	2.8
117.07021	7.4
119.08582	12.2
127.07549	1.2
128.06175	2.2
128.07036	0.4
129.05527	3.7
129.07008	10.8
130.07802	3.2
131.08572	82.9
131.93031	1.1
132.08932	1.0
133.06464	0.4
133.10126	2.5
142.07767	1.2
143.08565	23.8
144.09361	8.8
145.06482	1.3
145.10126	27.0
146.10423	0.9
149.94023	2.6
149.96098	0.9
155.07033	5.9
155.08542	1.2
156.09338	1.3
157.10161	1.4
158.07320	2.1
158.10915	39.1
159.11580	1.3
167.97183	0.8
171.11725	1.8
173.00896	0.4
173.02324	1.1
173.08237	9.6
173.09695	5.0
173.13266	100.0
173.17203	1.9
174.13707	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	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
55.01878	0.7
55.05518	7.8
57.07097	0.5
64.59816	0.4
67.05511	2.0
69.07068	0.9
72.04521	20.2
79.05505	2.4
82.06561	0.6
83.04986	0.8
83.08632	5.8
85.02940	0.7
87.04467	0.7
88.95287	0.5
89.07163	14.4
91.05489	9.2
93.07040	0.8
95.04984	0.6
97.06567	0.5
97.82149	0.4
103.05468	0.5
105.07018	3.6
107.08587	0.4
111.04422	1.0
112.02157	0.5
115.05463	4.4
117.07031	7.7
117.71681	0.4
118.82688	0.5
125.05963	0.5
125.09547	0.6
126.05456	0.5
126.09151	1.9
128.06233	14.1
129.07014	67.4
130.07867	2.8
131.08612	2.6
141.06985	4.8
142.07796	4.4
143.08569	38.1
144.08931	0.9
145.06494	1.0
155.05995	0.8
155.08575	1.3
156.09378	14.1
169.10081	1.5
171.11699	100.0
172.12051	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	171.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01873	6.9
55.05514	100.0
56.05859	1.3
57.02665	0.4
57.03441	1.2
57.07076	2.5
58.19246	0.4
59.05004	2.6
65.03942	0.8
67.05508	11.0
69.03433	5.3
69.07076	15.7
69.07459	0.8
69.98686	2.3
70.06597	0.8
70.07401	3.2
71.08645	0.8
72.04524	17.9
72.08149	1.0
73.02934	0.7
78.66782	0.4
79.02865	0.4
79.05499	16.1
80.05814	0.5
81.03409	0.5
81.07063	15.7
82.07388	1.0
83.04987	5.0
83.08624	40.1
84.08151	0.6
84.08964	1.2
85.02937	0.5
85.06563	0.6
86.06088	0.8
87.04488	1.2
87.06417	0.5
89.07161	12.9
91.05479	3.3
93.07043	3.4
94.07371	0.9
95.08604	1.2
96.08932	0.8
97.06544	2.0
97.10175	43.9
98.06857	1.1
98.10487	0.5
100.07637	0.8
101.07941	0.6
101.09679	1.0
105.07024	2.0
107.04981	0.4
107.08601	12.4
108.08924	1.2
109.06517	1.2
110.10490	0.5
110.56440	0.5
111.04478	1.2
111.08107	1.6
112.08413	1.0
112.12001	1.0
114.09196	0.6
115.05489	1.0
115.09526	1.2
117.07037	1.3
122.51155	0.4
125.09634	9.6
126.09155	2.5
128.06241	4.3
129.07016	8.5
135.08080	1.2
135.11696	0.5
136.12039	3.0
141.07002	2.2
142.07799	1.6
143.08574	6.6
143.47118	0.4
154.13091	2.6
155.00334	0.6
156.09361	6.5
159.11337	0.5
163.69705	0.5
171.05492	1.1
171.08051	1.6
171.11702	17.3
171.14810	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	171.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
56.96553	1.1
57.03436	0.7
57.07065	0.8
58.06596	1.8
60.29531	0.6
62.19238	0.7
69.95746	2.9
70.06597	24.5
72.04528	3.2
72.08160	53.8
82.01442	1.0
82.99851	0.9
83.01501	0.7
85.02911	0.8
89.07154	1.6
89.64653	0.7
98.04568	0.7
98.97591	1.4
100.02483	3.4
101.00897	5.4
101.02567	1.6
102.02289	0.6
103.02469	1.6
112.02505	1.0
113.53219	1.0
116.05611	1.3
116.98661	1.6
117.00010	0.8
118.03529	4.1
118.07166	5.7
119.01930	17.6
119.03582	0.6
120.01952	0.7
121.01619	1.3
127.07199	4.5
128.05560	0.9
129.08752	9.6
130.03513	5.8
130.07155	1.4
131.01895	0.6
133.03453	0.9
134.99619	0.6
136.08223	3.3
136.48376	0.6
137.02905	3.1
141.02663	0.7
142.03558	0.9
142.09171	0.7
145.08234	5.4
145.48949	0.9
147.05026	1.3
147.09801	13.5
148.02615	0.7
149.10486	0.9
154.07137	5.8
156.00917	0.7
160.08203	2.0
169.08232	0.8
170.06644	2.1
170.11424	0.7
171.09804	100.0
172.08206	8.9
172.09943	3.5
189.10860	25.9
190.10995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	6-HYDROXYDOPAMINE
Peak:m/z	Relative Intensity
53.03954	0.7
56.05041	7.2
56.96543	0.9
59.66014	0.8
68.05026	2.3
69.03426	6.2
69.05803	1.9
70.06595	80.0
71.04977	1.5
71.38483	1.3
73.02917	1.5
79.05488	8.1
80.04996	1.3
81.07058	1.0
82.02920	1.4
82.06605	0.9
83.08962	0.9
84.04494	2.3
86.06061	1.0
87.04450	2.9
94.06549	3.1
96.04497	0.9
96.08133	43.4
97.02830	0.8
106.06561	23.8
107.04882	0.8
108.08134	6.4
110.06048	1.0
114.05523	2.5
114.09158	11.7
124.07595	86.6
125.08349	3.5
129.04073	1.5
141.13873	0.8
142.08636	32.8
152.07045	3.4
170.08131	100.0
171.08403	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0813
Annotation	(-)Arterenol
Peak:m/z	Relative Intensity
55.01883	4.6
55.05492	1.7
56.05041	8.0
56.96556	4.0
57.03426	3.5
58.06599	1.3
59.04985	1.1
67.05497	1.5
68.05037	6.9
69.03443	5.2
69.05805	1.1
69.07061	1.3
70.06596	82.2
70.99467	2.2
71.04988	3.3
71.06953	0.9
72.08127	1.5
73.02911	2.9
79.05146	0.8
79.05503	10.1
79.51932	1.3
80.05013	1.8
80.24412	0.8
81.03412	3.1
81.05791	1.2
81.07060	1.7
82.02939	1.3
82.06570	3.9
83.06092	3.3
84.04489	6.1
84.08134	2.4
85.01393	1.2
85.02887	1.7
86.03693	1.1
86.06091	1.2
87.04448	3.1
93.05746	2.7
94.06551	3.1
95.06086	2.6
96.04498	2.2
96.06881	17.6
96.08137	48.7
97.02909	1.6
97.05232	1.1
97.06498	1.1
97.07645	4.4
98.06061	2.0
99.04494	0.9
99.53479	1.4
100.02486	4.3
100.03975	1.7
101.00872	2.6
103.02441	2.8
106.06561	21.4
108.08140	6.3
109.02872	1.1
109.07642	10.9
110.06049	4.2
113.53196	2.9
114.05544	4.5
114.09178	11.0
115.02364	1.1
115.03952	1.5
118.01144	1.8
118.03513	2.1
119.01929	5.8
120.02024	3.2
120.53962	2.9
121.01659	1.1
121.03478	1.1
122.53752	1.1
124.07610	84.4
124.08680	13.0
124.11214	1.9
125.07107	2.8
125.08335	3.7
126.10284	3.3
128.07077	2.8
128.34824	0.8
129.54512	2.8
131.01894	2.1
133.01685	0.9
133.03464	2.1
134.06001	2.5
137.02948	1.3
139.00258	5.3
141.02721	2.9
142.03531	1.7
142.04979	1.6
142.08640	34.0
146.96120	1.1
147.01355	4.2
147.05031	1.9
152.07085	9.7
153.07489	1.2
156.05119	1.1
157.01331	3.4
164.90057	0.8
170.02991	3.1
170.08121	100.0
170.09381	8.8
170.11676	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	169.1224
Annotation	(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
53.03954	1.8
55.01870	6.2
55.05513	16.5
57.03447	1.4
57.07064	1.9
59.04997	2.0
65.03944	1.2
67.05508	28.2
68.99792	1.0
69.03417	1.3
69.07083	3.8
70.06577	0.8
71.01358	5.8
71.04997	8.8
71.14690	1.6
72.08157	0.9
79.05495	13.5
81.03409	2.5
81.07059	44.3
83.04984	2.0
83.08626	10.2
84.24957	0.6
85.02894	1.0
85.06546	1.5
85.99648	0.7
91.05486	15.4
93.05804	1.0
93.07049	4.8
95.04975	2.3
95.08602	4.8
97.06531	1.1
97.10147	0.9
105.07045	8.1
107.08588	6.3
109.02890	2.0
109.06503	2.4
109.10172	6.0
110.06062	1.3
111.00816	0.8
111.04429	0.9
111.08080	1.5
113.00014	4.3
113.06044	0.9
123.04454	1.0
123.08092	0.9
123.11703	7.1
124.07560	1.8
125.09631	1.5
126.03146	1.3
129.07013	1.0
131.08496	0.9
133.10097	3.6
141.05476	5.3
141.07001	10.0
145.96512	0.9
146.66920	0.7
146.96165	1.1
151.03973	0.8
152.07091	0.8
153.06989	2.1
154.07796	9.2
163.97780	0.8
167.08453	1.1
169.04939	2.1
169.10146	18.7
169.12245	100.0
170.08189	1.6
170.09613	1.8
170.12724	1.4
172.84688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
50.20086	0.6
53.03937	1.3
54.02114	0.6
55.01868	2.9
55.05500	2.2
57.03435	1.5
59.50553	0.6
65.03944	13.2
67.01874	4.7
67.05508	7.7
68.99789	4.4
69.03436	1.3
69.07059	2.3
69.43793	4.5
70.06598	27.9
70.07390	1.4
71.04994	1.9
71.06297	1.1
71.06927	8.8
72.08146	2.4
79.05489	3.2
80.02979	0.6
81.03418	6.3
81.07069	6.5
82.06591	0.6
83.01328	0.6
83.04979	2.4
85.02906	2.1
85.06525	0.8
91.05485	2.6
92.05833	0.6
93.03405	3.9
93.05782	0.6
93.07026	1.6
95.01341	0.6
95.04973	9.7
95.08624	3.6
97.02909	1.4
97.06535	1.5
98.03641	1.4
98.09683	0.9
98.21541	1.4
99.04440	1.6
105.07044	1.7
107.08595	1.7
108.02132	0.6
109.02888	14.5
109.06503	4.1
109.10159	3.6
110.03705	1.3
110.06080	1.2
111.00802	8.3
111.04454	14.5
111.08069	1.6
112.02167	0.6
113.05988	1.0
115.05486	1.0
123.04437	37.9
123.08053	3.2
123.11707	2.9
123.52166	0.6
124.07584	2.1
125.05982	5.7
125.09670	0.8
126.03141	13.6
127.03934	9.7
128.95029	0.9
133.02824	1.5
133.10123	1.1
134.06015	0.9
141.05472	33.3
141.07016	1.9
146.96188	0.9
151.03915	53.1
151.07472	1.3
151.11237	1.2
151.78317	0.5
152.07080	2.2
152.14253	0.8
154.02583	2.0
154.07794	1.4
163.97742	2.6
169.04982	100.0
169.07440	14.0
169.10004	2.1
169.12212	1.2
169.14230	1.7
170.05281	1.5
170.08212	1.4
170.09624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75465	4.3
70.94553	7.9
106.06668	4.8
136.76469	4.6
140.09396	6.0
152.21996	4.4
168.04268	6.0
168.06372	100.0
168.08737	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	168.1384
Annotation	Kinabalurine C
Peak:m/z	Relative Intensity
53.03946	0.6
55.05519	3.5
57.03432	1.9
65.03960	0.6
67.05506	7.6
68.05070	0.5
69.03433	0.5
69.07072	3.9
70.06596	100.0
70.77480	0.7
71.05006	1.1
71.06921	0.8
72.93853	0.4
78.04707	0.4
79.05065	0.9
79.05499	5.7
80.05015	0.7
80.05830	0.7
81.03431	1.0
81.07059	22.1
82.07378	0.5
83.04970	1.6
84.08103	0.5
85.06519	0.6
91.05485	20.1
93.07037	2.4
94.06572	1.2
95.04978	2.7
95.08612	1.6
97.06544	0.6
98.06071	0.5
105.07043	3.3
107.08595	2.7
108.04514	1.0
108.08928	0.5
109.02882	1.7
109.06533	6.1
109.10168	1.7
110.06876	0.6
111.04415	1.0
112.07574	1.2
121.10138	0.8
122.06020	1.2
122.09646	1.9
122.10468	0.8
123.04420	0.5
123.08060	1.0
123.11707	3.1
124.04810	0.6
125.05992	0.6
125.09673	0.4
126.03102	0.6
126.05546	1.0
126.06647	0.4
126.39773	0.4
133.10139	2.0
139.11171	0.8
140.07053	1.6
141.05472	1.4
150.05484	1.8
150.12801	2.9
151.04016	0.6
151.11182	6.0
162.95844	0.7
168.06316	0.9
168.07646	2.4
168.10185	1.5
168.13847	30.0
169.04900	0.8
169.07610	0.8
169.14188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
51.19884	0.8
53.03943	2.8
55.01863	1.9
55.05515	9.8
57.03426	2.9
57.07065	1.2
59.05001	1.9
65.03929	2.0
66.04711	1.1
67.05512	11.4
68.99799	0.8
69.03425	2.8
69.07076	8.6
70.28619	2.3
71.04996	9.7
72.08150	1.7
73.06564	5.1
74.40588	0.8
77.03887	0.6
77.62387	0.7
78.04711	16.1
79.05079	1.0
79.05502	14.5
79.23822	0.8
81.03426	0.8
81.07058	13.9
83.04980	6.7
83.08627	4.0
85.06553	1.1
91.05495	5.7
92.50194	0.6
93.03422	1.4
93.07051	20.1
94.04188	1.1
95.04975	6.3
95.08612	28.1
96.05764	1.0
97.06519	3.5
105.03362	1.3
105.04498	1.8
105.07014	4.0
106.04165	5.3
107.04965	7.5
107.08598	16.7
109.02885	1.5
109.06519	3.4
109.10157	6.1
111.04444	1.5
111.08083	2.8
121.02869	1.4
121.06513	2.9
121.10152	23.8
121.11023	1.3
122.03647	1.6
123.04439	28.5
123.08070	2.4
123.11669	3.7
124.05212	7.6
125.02357	0.8
125.05980	2.5
125.09634	2.5
131.08574	1.3
134.03613	1.3
135.04382	1.7
135.59433	0.7
137.05959	0.8
139.07579	2.0
139.09644	0.9
139.11198	1.9
149.02335	3.1
149.05981	2.0
149.09602	3.1
149.13271	7.2
150.03154	1.0
151.03902	4.9
152.04710	5.6
167.03407	2.2
167.07051	100.0
167.10672	3.9
167.14348	4.7
168.04247	0.9
168.07457	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03929	3.2
55.01864	4.3
55.05512	78.0
57.03431	2.7
57.07057	3.7
59.05002	7.9
64.69515	1.0
64.82562	1.0
65.03927	2.3
67.05174	1.6
67.05502	19.1
69.03083	1.6
69.03429	23.8
69.07073	11.4
69.37235	9.3
71.04988	4.2
72.08162	2.3
78.04717	8.9
79.05489	17.0
81.07061	16.2
83.04983	100.0
83.08622	33.0
84.05288	1.1
85.06538	8.6
91.05481	8.2
93.03461	1.0
93.07040	21.2
95.04428	1.1
95.04961	6.4
95.08603	9.6
97.06557	7.3
97.10150	9.5
105.04539	1.2
105.07035	6.0
105.30511	1.1
106.04156	5.0
107.04945	7.0
107.08594	31.8
109.02836	1.5
109.06523	5.6
109.10164	18.6
111.04417	2.7
111.07369	1.8
111.08089	26.6
112.08854	7.0
113.09637	3.0
120.00829	1.3
121.01692	1.9
121.06535	5.3
121.08554	1.6
121.10149	17.9
122.06041	1.5
123.04427	19.1
123.08100	1.8
123.11700	9.0
124.05238	5.6
125.09634	13.4
125.24790	1.1
131.08560	3.1
134.03593	1.5
135.04378	2.3
136.41916	1.1
139.07587	2.0
140.07033	1.2
149.02354	2.2
149.06055	1.4
149.09627	6.9
149.13300	6.7
151.03915	4.0
152.04681	5.8
167.03378	2.7
167.07043	75.5
167.10703	4.2
167.14320	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00324	1.1
53.03942	3.7
55.01873	1.8
55.05515	16.0
57.03405	1.1
57.07064	1.8
59.04990	3.7
65.03919	2.8
66.04720	0.9
67.05172	1.5
67.05508	18.6
69.03432	4.0
69.07073	13.9
70.06595	1.2
71.04647	1.4
71.04998	18.6
71.05822	0.9
71.07215	0.9
72.08147	3.2
73.06559	8.3
75.37625	1.0
78.04717	15.1
79.05123	0.9
79.05496	20.1
81.03433	1.0
81.07066	21.4
82.06613	0.9
83.04994	8.3
83.08626	6.0
85.06530	2.6
91.05487	6.3
93.03391	1.2
93.07049	33.9
94.04203	1.2
95.04974	7.2
95.08611	51.7
96.08984	0.8
97.06541	6.0
97.10184	1.2
98.20724	2.1
105.03400	0.9
105.07031	4.6
106.04178	6.8
107.04969	7.1
107.08597	28.4
109.02875	2.1
109.06532	2.8
109.10162	12.5
111.04418	1.5
111.08069	4.3
119.04948	0.8
119.08562	1.6
121.02886	1.4
121.06504	3.3
121.10150	28.3
122.03642	1.7
122.10516	1.0
123.03559	1.9
123.04436	27.6
123.08076	2.8
123.11720	5.9
124.05227	8.1
125.05998	1.8
125.09628	4.4
131.08585	2.2
133.02826	0.8
134.03653	1.9
135.91998	0.8
137.05991	1.1
139.07553	2.0
139.11145	2.0
149.02338	2.1
149.05997	1.3
149.09627	3.9
149.13280	12.8
151.03873	5.7
152.04724	5.5
167.07056	100.0
167.10648	5.1
167.14311	7.8
168.07497	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01866	4.6
55.05515	88.0
57.03440	2.2
57.07065	4.5
59.05008	11.5
65.03936	2.1
67.05503	18.6
69.03436	24.6
69.07071	17.8
70.06580	1.6
70.99677	2.0
71.00005	2.1
71.04987	2.8
72.08161	1.7
78.04719	11.1
79.05492	13.0
81.07059	19.4
83.04986	100.0
83.08627	37.8
85.06556	10.8
91.05482	5.9
93.03379	1.4
93.07056	21.7
94.47326	1.3
95.04954	4.2
95.08614	12.6
97.06533	8.0
97.10172	10.8
99.08108	1.6
105.07049	6.3
106.04173	4.9
107.04966	5.7
107.08605	18.9
109.02834	1.5
109.06541	4.3
109.10152	18.5
111.08090	25.2
111.11678	1.4
112.08916	6.8
113.09656	3.2
121.06516	4.5
121.10148	28.8
122.03609	1.4
123.04440	18.7
123.08071	3.2
123.11710	8.7
124.05247	7.5
125.09625	17.1
131.08621	2.5
133.06778	1.5
137.06055	1.4
139.11174	3.0
140.07068	1.9
149.02367	2.5
149.09636	4.9
149.13275	4.7
151.03918	5.0
152.04739	3.1
153.43477	1.4
167.03409	2.5
167.07057	70.6
167.10695	5.9
167.14331	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02390	1.0
51.90111	0.5
53.03950	3.6
55.01874	1.4
55.05263	1.0
55.05513	13.2
56.71623	0.5
57.03420	1.1
57.07069	1.7
59.05003	3.3
62.06231	0.5
65.03938	2.4
66.04720	1.2
67.05506	7.4
69.03438	3.2
69.07072	39.3
70.77618	1.5
71.04991	0.9
72.08166	0.7
72.62524	0.5
77.03922	0.7
78.04716	14.0
79.05495	22.5
81.03428	1.4
81.06581	0.8
81.07060	12.7
82.63018	0.7
83.04986	6.7
83.08617	3.3
85.02929	0.5
91.05486	14.7
93.03418	1.2
93.07048	77.7
94.04173	1.5
95.04967	6.7
95.08613	13.5
96.05728	0.7
97.06534	8.1
97.10180	1.8
100.11268	0.6
103.05473	1.9
105.03384	1.4
105.04528	1.4
105.07040	20.0
106.04185	5.6
106.07832	1.4
107.04964	6.0
107.08588	6.7
109.02879	1.5
109.06543	2.8
109.10174	2.6
111.04452	1.3
111.08070	1.6
111.11722	6.9
119.08566	4.7
121.02869	1.1
121.06525	2.3
121.10149	100.0
122.03658	1.4
122.09705	0.8
122.10491	2.1
123.04433	22.8
123.08068	6.6
123.11723	1.2
124.05237	7.9
125.05995	1.3
125.09622	1.4
131.08621	1.1
133.07608	2.4
134.03593	1.0
135.04437	1.5
137.02332	0.6
137.06006	1.7
138.06773	0.7
139.03889	0.6
139.07541	2.1
139.11176	2.6
143.96735	0.9
149.02347	1.8
149.05968	1.0
149.09621	15.6
149.13303	1.3
151.03917	4.9
152.04695	5.7
152.06090	1.0
165.06990	0.9
167.03365	2.0
167.07054	94.5
167.10674	29.1
167.14301	1.8
168.07416	1.2
168.13858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02390	0.6
53.00314	0.6
53.03943	3.3
55.01883	4.4
55.05515	13.5
55.96547	0.5
57.03425	2.8
57.07073	2.3
59.04994	3.8
65.03951	3.4
66.04736	1.2
67.05167	1.1
67.05508	13.1
68.05834	0.5
69.03433	4.7
69.07074	13.8
70.06596	1.5
71.04994	3.6
72.08157	4.3
73.02904	1.5
73.06569	1.3
77.03915	1.1
78.04717	14.8
79.05499	31.7
81.03432	1.6
81.07065	33.3
82.06570	0.7
83.04984	13.6
83.06109	0.5
83.08619	6.7
83.32392	0.5
85.02900	1.1
85.06557	1.1
91.05486	13.0
93.03387	1.9
93.07050	51.3
94.04191	1.8
94.06557	1.1
94.07386	0.6
95.04979	7.1
95.08614	20.4
96.04491	0.5
96.05771	1.3
96.52521	0.5
97.06532	10.5
97.10204	1.6
97.14513	0.5
98.21589	1.1
102.94868	0.7
103.05489	1.6
103.08920	1.3
105.03395	1.3
105.04512	1.1
105.06390	0.9
105.07041	14.7
106.04169	5.1
106.07858	1.0
107.04964	8.7
107.08607	21.9
109.02887	1.9
109.06522	7.2
109.10161	6.3
111.04476	3.4
111.08078	6.4
112.04259	0.6
112.08859	1.0
119.08623	2.5
120.02054	0.5
121.01679	1.2
121.02872	3.7
121.06522	13.9
121.10149	89.5
122.03636	2.1
122.09666	1.7
122.10503	1.5
123.04434	26.0
123.08065	6.6
123.11717	12.0
124.05221	9.4
125.06001	8.7
125.09641	9.1
131.08578	5.7
133.07623	0.6
134.03645	1.8
135.04425	2.5
137.05995	1.6
138.06738	0.8
139.03923	1.2
139.07587	3.8
139.11189	11.2
140.03326	0.7
140.07077	1.0
143.96738	0.8
144.03293	1.1
149.02357	3.2
149.05014	0.8
149.06029	4.0
149.09625	15.0
149.13268	4.6
150.05464	0.8
151.03912	6.2
152.04710	7.2
152.06053	1.0
167.03412	3.6
167.07053	100.0
167.08302	3.5
167.10661	14.4
167.14305	8.6
168.07451	1.5
176.14409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03938	1.3
55.01863	0.6
55.05498	1.6
64.97139	0.3
65.03929	1.0
66.04711	1.1
67.05515	1.6
69.03427	0.7
69.07068	1.9
71.04986	0.4
71.14239	0.6
71.14590	0.4
72.08144	0.8
77.03930	0.5
78.04712	14.8
79.05493	5.3
81.03413	0.9
81.07055	2.3
82.04211	0.4
83.04996	1.8
83.08603	0.9
85.02905	0.4
86.09700	0.4
86.50156	0.4
91.05477	1.6
93.03394	1.0
93.07048	2.0
94.04171	1.2
95.04968	3.0
95.08611	1.7
96.05731	1.1
97.06538	0.8
103.03975	0.3
105.03381	0.8
105.04501	0.7
106.04171	6.4
107.04964	4.0
107.08601	2.1
109.02870	1.6
109.06512	0.7
109.10164	0.4
110.12307	0.4
110.86752	0.3
111.04443	0.3
111.08080	0.9
121.02832	0.3
121.06539	0.8
121.10130	1.9
122.03695	1.6
123.04433	25.8
124.05228	8.6
125.06052	0.4
125.09571	0.4
134.03636	1.9
135.04378	1.0
137.05974	1.1
138.03113	0.7
139.07549	0.6
149.02368	0.7
149.13295	1.0
151.03896	5.9
152.04683	5.2
152.06055	0.4
167.07045	100.0
167.14331	1.0
168.04176	0.6
168.07372	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	166.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
54.91199	0.5
55.01881	0.6
55.05511	5.8
55.63430	0.5
56.05035	3.2
56.12049	0.5
64.11961	0.5
65.03941	0.8
67.05505	5.2
68.05021	3.5
68.34628	0.6
69.03433	35.8
69.07071	1.5
70.01841	0.5
70.06598	21.5
70.90692	1.3
78.04716	1.0
79.05497	13.0
80.05025	2.1
81.03461	0.6
81.07060	48.2
82.06581	1.5
82.07378	1.4
83.08624	0.7
83.93051	3.0
84.04498	2.7
84.08129	2.5
86.06072	36.1
91.05488	1.7
92.05817	1.0
93.07040	2.2
94.06595	2.1
95.04979	1.5
95.08596	0.7
96.04511	1.2
96.05303	0.9
96.08138	24.7
98.06060	100.0
98.09711	1.3
99.06410	1.1
101.94073	1.4
103.05441	0.7
105.07029	1.0
106.04195	1.3
106.06594	0.6
107.04967	1.1
107.08617	1.0
108.04469	1.0
108.08159	0.8
110.06059	0.8
110.09692	0.8
111.04457	0.6
112.07612	20.5
115.96434	1.4
119.95119	1.3
120.02039	1.6
120.05335	0.9
120.08120	9.0
120.08926	1.1
121.01691	0.6
121.02965	0.5
121.10141	1.0
123.04478	2.7
124.05248	1.4
124.07600	72.4
125.07952	1.2
131.08530	0.5
136.07574	1.7
138.05498	1.5
138.09120	1.5
138.10022	1.3
138.12758	0.9
142.96709	11.8
148.04784	2.2
148.07582	0.8
148.11189	2.3
149.02390	0.8
152.04689	1.7
165.06935	0.5
165.98299	1.0
166.04997	3.0
166.08501	6.1
166.12242	16.3
167.03416	0.7
167.07069	9.1
167.08444	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02375	0.1
55.01851	0.2
57.51453	0.2
58.69743	0.1
60.40443	0.1
61.70836	0.2
64.23614	0.2
69.10313	0.2
70.58527	0.2
70.84270	0.3
70.84630	0.3
79.05484	1.5
80.39896	0.2
88.00522	0.2
91.05489	1.0
93.07048	2.7
95.04991	0.3
103.05472	10.5
107.04980	1.9
108.05257	0.2
120.08109	100.0
121.08445	2.1
131.04927	2.3
135.91887	0.2
149.05956	0.6
166.08621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
55.05500	0.2
67.05495	0.7
69.03422	0.3
69.72727	0.4
69.73141	0.6
76.24675	0.1
78.04733	0.8
79.05497	2.3
80.05024	0.2
81.07047	0.6
82.07390	0.5
83.04984	0.3
83.93041	0.4
90.90141	0.1
91.05482	1.3
92.05807	0.4
93.07053	2.5
94.07399	0.2
95.04991	0.4
95.08616	0.2
96.08971	0.2
103.05477	11.3
105.07053	0.3
106.04164	0.5
106.07381	0.5
107.04969	2.7
107.08608	0.4
108.08929	0.3
109.10173	0.2
110.10509	0.3
118.06540	0.2
120.08115	100.0
121.06527	0.3
121.08456	1.7
121.10176	0.4
122.10509	0.5
122.12949	0.2
123.04430	1.3
124.05180	0.4
131.04944	2.3
137.06033	0.2
138.05515	0.3
138.09145	0.6
142.96698	0.8
148.04770	0.6
148.11986	0.9
149.06012	0.7
151.03902	0.4
152.04684	0.4
166.05034	0.5
166.08513	1.7
166.13138	0.6
167.07048	3.8
167.08412	0.3
167.10580	0.2
167.14551	0.2
185.96683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.87171	0.7
53.03951	2.0
55.01867	3.8
55.05518	7.7
57.03439	7.3
57.07085	1.2
65.03949	3.2
66.62118	0.7
67.05506	46.0
68.05835	0.7
69.03427	5.8
69.07068	8.0
70.50925	2.2
71.01357	0.9
71.04993	2.8
77.03926	1.4
79.05494	39.9
81.03413	1.9
81.07058	82.6
81.55190	0.7
82.07393	1.7
82.77040	0.7
83.04985	8.4
83.08604	1.5
85.06547	4.5
91.05482	48.6
93.07047	44.5
95.04967	13.5
95.08605	22.9
97.06527	10.5
99.08098	1.6
103.05497	1.6
105.07033	73.3
106.07336	1.2
107.08596	24.7
108.42968	0.7
109.06521	15.3
109.10150	8.4
111.08138	1.0
117.07029	2.2
119.01946	1.2
119.04956	9.5
119.08585	58.8
120.08111	1.4
120.08901	1.7
121.02891	1.1
121.10146	65.0
122.07295	2.0
122.10464	1.0
123.04442	3.9
123.08075	10.0
123.11694	9.2
133.02863	1.7
133.06468	1.4
137.02286	0.9
137.05949	2.4
137.09615	11.6
137.13213	2.0
145.10094	2.0
147.04424	12.1
147.11691	100.0
148.12033	2.5
165.01878	1.5
165.05521	2.2
165.07063	1.7
165.09125	14.0
165.12759	90.2
166.13185	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03948	2.4
54.59779	0.6
55.01879	3.3
55.05509	6.1
57.03442	6.5
57.07066	1.5
65.03952	2.1
66.04766	0.6
67.05508	37.1
69.03439	4.4
69.07067	7.3
70.71061	1.3
70.71386	0.7
71.05003	2.9
77.03949	0.8
77.94043	0.6
79.05495	34.4
81.03438	0.8
81.07060	76.2
82.07391	1.3
83.04984	8.8
83.08628	1.3
85.06555	4.8
88.14188	0.6
91.05486	42.7
93.07050	39.4
94.07428	0.8
95.04967	7.5
95.08608	22.8
97.06541	9.7
99.08097	1.6
103.05452	0.8
105.07035	68.5
107.07874	1.2
107.08598	22.8
109.06525	13.5
109.10146	5.1
111.08085	0.9
117.07047	2.2
119.02008	0.6
119.04951	1.8
119.07709	1.1
119.08588	56.2
121.10151	61.0
122.07253	1.2
122.10481	1.1
123.04414	0.8
123.08086	7.1
123.11715	8.3
124.53461	0.5
136.43594	0.6
137.05988	0.9
137.09624	6.0
137.13263	1.4
145.10155	2.2
147.04419	3.3
147.11693	100.0
148.12018	2.7
165.05574	1.2
165.09149	4.7
165.12762	89.1
166.13080	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	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03945	3.2
55.01879	4.9
55.05506	9.3
57.03441	9.6
57.07068	1.2
65.03938	3.2
67.05508	45.0
68.05835	1.0
69.03436	6.4
69.07069	10.4
70.40104	3.0
71.01360	1.8
71.04984	3.8
77.03918	1.0
79.05494	43.0
79.41406	0.8
80.05797	0.9
81.03425	2.0
81.07060	100.0
81.62832	0.8
82.07397	1.0
83.04987	9.5
83.08611	3.0
85.06558	6.6
91.05482	49.3
92.05800	0.9
93.07049	44.5
95.04972	17.4
95.08607	27.1
96.04551	1.0
97.06532	11.6
98.21026	1.5
101.00879	1.2
103.05462	1.4
105.04520	1.7
105.07035	67.2
106.07393	1.5
107.04938	1.6
107.08594	22.4
109.06523	17.1
109.10126	4.6
111.08064	1.0
115.47457	0.8
117.06995	2.4
119.01936	6.9
119.04939	9.6
119.08585	57.4
120.08891	1.2
121.02876	1.2
121.06539	1.0
121.10149	53.3
122.07301	1.0
123.04446	5.4
123.08073	10.2
123.11702	9.2
137.03059	1.4
137.05969	2.7
137.09627	5.9
137.13237	2.5
142.03488	4.5
142.96712	2.1
145.10159	2.2
146.48912	0.8
147.04420	17.2
147.11690	90.3
148.12032	2.9
160.04579	1.5
165.01851	2.4
165.05479	1.9
165.07065	1.2
165.09087	7.5
165.12759	95.8
166.13086	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
55.01853	0.3
55.05523	0.3
65.03944	1.7
67.05511	0.7
70.94936	0.2
70.95247	0.5
79.05490	0.6
79.54865	0.2
81.07021	0.5
91.05489	29.8
92.05811	0.4
93.07032	0.4
95.04991	2.6
95.08615	0.5
101.00970	0.4
103.05486	0.5
105.07027	0.8
107.08546	0.3
109.06538	0.5
109.10165	0.5
119.02057	1.1
119.04953	55.8
119.08588	0.8
120.05302	0.8
123.04448	3.3
133.02885	0.3
133.06476	0.3
137.02962	0.4
137.05981	0.6
137.09634	0.3
142.03508	1.1
147.04420	100.0
148.04759	1.7
165.05492	1.4
165.09099	0.6
165.12720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.9
55.01873	2.6
55.05510	5.9
57.03444	5.9
57.07069	1.7
64.77156	0.4
65.03947	1.3
67.05506	34.2
69.03431	4.9
69.07072	7.2
69.72737	0.5
69.73055	2.5
71.04993	2.1
77.03933	0.6
79.05494	31.1
80.05829	0.7
81.03397	0.7
81.07058	74.9
82.07385	0.9
83.04980	8.3
83.08620	1.5
83.92999	0.4
85.06549	5.4
91.05483	38.4
92.05812	0.6
93.07047	36.0
94.07378	0.6
95.04974	7.9
95.08608	19.2
96.13156	0.3
97.06532	9.3
99.08102	1.4
103.05480	0.7
103.78155	0.4
105.07033	65.1
106.07330	0.6
107.04962	0.4
107.08595	21.1
108.08935	0.5
109.06525	12.5
109.10162	5.8
117.07021	1.1
117.99229	0.4
119.01928	0.9
119.04945	2.6
119.08584	52.1
120.08939	1.2
121.10146	58.5
122.07252	0.8
122.10465	0.9
123.04465	0.7
123.08070	7.7
123.11712	9.2
127.07516	0.6
136.08838	0.4
137.06033	1.0
137.09616	6.4
137.13248	1.9
142.03474	0.7
145.10112	1.6
147.04416	4.1
147.11690	100.0
148.11987	2.4
158.23053	0.3
165.01909	0.3
165.05450	1.1
165.09111	6.7
165.12756	82.8
165.73515	0.4
166.13147	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	165.0548
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.02386	0.7
52.16881	0.2
53.03742	0.3
53.03951	3.3
55.01877	0.4
65.03945	1.2
67.05492	0.9
71.13609	0.5
77.03918	1.6
79.05494	0.3
81.03420	0.6
81.07055	0.7
82.99861	0.3
91.05483	21.2
92.05750	0.3
93.07050	1.4
94.04194	0.5
95.04971	73.6
96.05305	0.9
101.00871	2.5
103.05476	5.4
105.04532	1.9
107.04943	0.4
109.06512	4.7
119.01935	8.3
119.04947	55.7
120.05276	0.6
121.06499	2.0
123.04431	100.0
124.02435	0.4
124.04778	1.6
137.02994	1.5
137.06003	2.0
139.06049	0.2
142.03502	5.3
147.04414	15.7
148.04654	0.3
160.04565	1.1
165.05482	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01878	0.3
55.05511	0.5
57.03468	0.2
60.30174	0.2
65.03938	1.5
65.93552	0.2
67.05505	1.1
68.57787	0.2
69.03434	0.3
69.07067	0.5
69.57034	1.6
69.75984	0.2
79.05502	1.4
81.03413	0.8
81.07053	2.3
91.05484	28.2
92.05821	0.4
93.07049	1.3
95.04971	4.0
95.08605	1.4
96.51356	0.3
101.00869	0.8
103.05490	0.6
105.03391	0.3
105.07030	1.5
107.04977	0.5
107.08602	1.9
109.06525	1.3
109.10171	0.5
119.01964	2.9
119.04945	53.6
119.08582	2.1
120.05287	0.7
120.08119	0.5
121.06496	0.3
121.10155	0.8
123.04435	5.7
123.08092	1.2
123.11721	0.9
133.02911	0.4
133.06479	0.3
137.02953	0.8
137.05978	1.2
137.07982	0.4
137.09618	1.0
142.03514	2.0
147.04413	100.0
147.11700	0.7
148.04765	2.0
160.04559	0.4
165.05495	2.5
165.09114	1.4
165.12756	1.5
165.13919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
52.16881	0.2
53.03742	0.3
53.03951	3.3
55.01877	0.4
65.03945	1.2
67.05492	0.9
71.13609	0.5
77.03918	1.6
79.05494	0.3
81.03420	0.6
81.07055	0.7
82.99861	0.3
91.05483	21.2
92.05750	0.3
93.07050	1.4
94.04194	0.5
95.04971	73.6
96.05305	0.9
101.00871	2.5
103.05476	5.4
105.04532	1.9
107.04943	0.4
109.06512	4.7
119.01935	8.3
119.04947	55.7
120.05276	0.6
121.06499	2.0
123.04431	100.0
124.02435	0.4
124.04778	1.6
137.02994	1.5
137.06003	2.0
139.06049	0.2
142.03502	5.3
147.04414	15.7
148.04654	0.3
160.04565	1.1
165.05482	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	165.0549
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
51.02383	0.4
53.03952	4.1
55.01863	0.6
65.03934	0.8
65.69741	0.4
70.60054	1.6
77.03936	1.0
79.05510	0.5
82.01449	0.7
82.99844	3.1
91.05485	22.0
93.07050	1.9
95.04972	72.4
96.05317	1.1
98.28922	0.5
100.02476	1.0
101.00884	32.3
102.00951	0.8
103.05462	5.3
105.04522	2.0
109.06526	4.5
119.01928	91.1
119.04945	57.7
120.01998	2.9
120.05276	1.1
121.02411	0.7
121.06542	2.5
123.04432	100.0
124.02453	4.8
124.04786	1.7
133.03395	0.5
137.02963	20.1
137.05943	2.8
138.02953	0.7
142.03506	63.8
143.03645	1.6
147.04407	15.4
156.05040	0.7
160.04561	12.9
165.05432	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	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
65.92620	1.3
66.52379	0.5
68.06220	0.5
70.78278	1.1
70.78606	0.8
80.94986	1.1
82.01451	0.6
82.99833	4.0
85.02940	0.7
91.05492	3.8
95.04978	15.2
99.11480	0.5
100.02474	0.9
101.00889	37.2
102.00964	0.8
103.05497	0.5
103.59734	0.5
109.06540	0.8
109.58745	0.5
119.01931	100.0
119.04927	10.8
120.02036	3.0
121.02402	0.5
121.97601	0.6
123.04442	21.3
124.02458	5.7
124.93950	0.7
133.03500	0.6
137.02968	20.3
137.05943	0.7
138.03114	0.6
139.90331	0.5
142.03513	68.4
143.03687	1.9
145.03535	0.6
147.04443	3.9
160.04562	16.6
160.95990	1.2
161.04630	0.7
165.05191	1.5
173.49156	0.5
175.05086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30732	0.4
58.61859	0.4
69.36261	1.1
69.36670	2.6
82.01436	0.5
82.99840	2.7
98.20767	0.8
100.02496	1.1
101.00891	34.1
102.00975	0.7
118.03525	0.6
119.01929	100.0
120.02016	2.6
121.02441	0.5
124.02456	7.7
137.02971	22.7
138.03047	0.7
142.03508	76.6
143.03613	1.9
156.05074	0.5
160.04568	16.4
165.05145	1.7
183.06200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.3
55.81734	0.9
69.47536	4.3
69.47963	2.8
75.53396	0.9
77.03944	1.2
81.03426	0.9
81.07018	1.1
82.99856	2.9
91.05489	15.7
93.07054	1.5
95.04977	63.8
98.20776	2.2
100.02457	1.4
101.00890	35.3
103.05481	4.6
105.04539	1.4
107.34373	0.8
109.06522	3.6
114.45133	1.0
119.01934	100.0
119.04955	46.3
120.02027	2.9
121.06511	1.8
123.04442	90.3
124.02465	6.1
124.04767	1.7
133.03511	1.4
137.02972	23.8
137.06001	2.5
142.03516	66.3
142.78735	0.9
143.03606	1.9
147.04434	16.2
157.50784	1.0
160.04584	15.2
165.05360	3.4
171.87885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03949	2.2
53.09713	0.6
55.05518	5.4
57.07071	1.0
58.80799	0.6
59.21871	0.6
61.66513	0.6
65.03939	1.1
67.05504	3.7
69.07076	18.1
70.90440	1.7
79.05499	15.0
81.07068	17.2
83.08630	4.0
89.03922	8.0
90.04253	0.8
91.05489	11.9
93.07052	32.7
94.07408	1.0
95.04964	2.6
95.08614	15.9
100.74505	0.5
103.05455	3.7
105.04556	0.9
105.07045	8.9
107.04959	2.9
107.08602	100.0
108.08926	1.1
109.06523	1.9
109.10164	1.3
117.03384	6.6
117.07041	0.9
119.06046	0.9
119.08600	2.8
121.06561	1.0
121.10152	31.1
131.04953	5.0
133.02829	1.5
135.04430	13.7
135.08087	1.0
135.11707	14.6
135.29317	0.6
136.07536	1.6
145.02872	4.9
145.10130	2.7
155.51904	0.8
158.30060	0.7
163.03915	14.9
163.07611	3.0
163.11194	9.8
163.14835	37.8
164.15216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.5
55.01906	0.6
55.05548	0.8
57.03481	0.3
58.68123	0.3
66.37642	0.3
67.05508	2.1
69.03430	0.4
69.23383	0.3
69.71172	1.5
70.06627	0.6
70.97720	0.2
78.95300	0.4
79.05495	1.7
80.05015	2.3
80.05837	0.6
81.03463	0.4
81.07059	2.6
83.05030	0.5
83.12972	0.3
87.65626	0.3
89.03940	0.7
90.04269	1.7
91.05484	5.7
91.06007	0.4
92.05836	0.4
93.05819	1.1
93.07050	2.3
94.06606	1.1
94.07398	0.7
95.04992	1.6
95.08636	1.2
96.05330	0.5
97.02912	0.3
98.20734	0.4
100.02512	1.5
103.05473	0.9
104.05804	2.8
105.07028	1.5
106.06575	1.0
106.07355	0.6
107.04964	0.7
107.07347	6.6
107.08501	1.4
108.05302	0.8
108.08125	38.1
109.06548	1.2
109.08453	0.4
109.10170	1.9
117.07015	0.3
118.03596	1.6
118.06587	1.7
118.07305	0.5
119.01945	0.5
119.04951	4.4
119.08571	2.1
120.08110	2.1
121.06544	0.6
121.08887	1.3
121.10126	0.8
122.06017	0.7
122.07327	0.5
122.10474	0.8
123.04432	0.8
123.08083	0.6
126.05522	0.3
132.05272	2.6
133.02827	0.5
133.06476	0.6
134.03181	0.7
134.09628	0.8
135.04420	0.7
136.03925	0.4
136.04767	3.4
136.07594	10.6
136.11220	100.0
137.05977	0.9
137.09637	2.4
137.11534	1.7
140.97171	0.3
142.03497	0.4
146.03192	1.3
146.05963	1.3
146.10422	0.5
147.04416	5.6
147.07928	0.4
147.11696	1.4
149.02295	0.4
164.04327	5.1
164.07021	11.9
164.10623	12.6
164.14253	0.9
164.15379	0.3
165.01778	0.4
165.05431	1.2
165.06905	0.5
165.09102	6.3
165.12764	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.41937	0.7
53.03953	4.6
55.01870	2.7
55.05511	7.0
57.07073	1.3
62.25748	0.6
63.02385	1.7
65.03938	2.6
67.05504	6.8
69.03432	3.3
69.07071	22.8
71.04984	0.9
71.55872	0.8
77.03927	2.2
79.05495	35.3
80.05814	1.0
81.03426	2.2
81.07059	36.4
82.07399	1.0
83.08617	6.6
89.03919	38.0
90.04259	1.1
91.05486	17.7
92.02637	1.1
93.07047	44.8
94.07375	0.8
95.04969	8.4
95.08614	25.5
97.69134	0.6
103.05473	31.1
105.03406	1.8
105.04523	1.7
105.07026	14.2
107.04958	15.3
107.08598	100.0
108.08157	1.3
108.08951	2.0
109.06519	1.6
109.10165	1.8
115.05473	1.6
117.03384	30.7
117.07025	7.8
117.85409	0.9
119.04908	0.8
119.06049	0.8
119.08561	5.5
121.06490	6.1
121.10149	36.3
123.08114	0.8
128.06201	0.9
130.06541	1.3
130.07780	2.8
131.04936	32.0
132.05302	1.0
132.08138	1.0
133.02869	5.1
133.06491	3.2
135.04424	65.7
135.08057	11.1
135.11703	18.6
136.04762	1.4
136.07565	7.3
143.08565	0.9
145.02858	23.7
145.03967	1.4
145.06538	1.8
145.10117	11.3
146.03221	0.9
147.08054	3.4
148.05168	1.1
148.08835	8.7
152.22290	0.8
156.36336	0.7
159.01646	0.8
163.03914	71.3
163.07535	17.8
163.11185	97.9
163.14827	50.9
164.04314	1.9
164.07098	2.1
164.11516	2.1
164.15208	0.8
183.53021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02391	0.7
53.03949	2.6
55.01881	1.1
55.05515	7.5
57.03442	1.0
57.07077	1.4
63.02387	0.9
65.03945	0.9
67.05523	3.9
69.03438	4.3
69.07073	21.4
70.07402	0.5
70.10400	0.5
70.80907	1.2
77.03930	1.3
79.05498	22.2
81.07064	20.8
83.08621	4.0
85.02909	1.9
85.82361	0.5
89.03925	22.0
90.04280	1.0
91.05486	13.4
92.02627	0.8
93.07050	36.1
94.07401	0.5
94.70944	0.5
95.04977	4.9
95.08613	18.5
103.05471	16.6
105.03404	0.9
105.04530	1.6
105.07035	13.0
107.04974	6.5
107.08603	100.0
108.08169	0.5
108.08937	1.9
109.06537	2.2
109.10182	0.8
115.05453	1.2
117.03391	16.6
117.07012	3.7
119.06059	1.0
119.08585	5.2
119.86254	0.5
121.06524	3.7
121.10152	40.3
123.08075	0.7
130.06554	0.6
130.07791	3.1
131.04935	16.8
133.02852	3.4
133.06491	1.4
133.10144	1.1
135.04425	34.9
135.08066	2.1
135.11705	19.4
135.12715	1.2
136.04797	0.5
136.07616	2.0
136.12048	0.5
143.08609	0.7
145.02864	14.0
145.04001	1.0
145.06430	1.0
145.10129	12.7
147.08095	0.8
148.08846	0.9
152.64171	0.5
161.13313	0.7
163.03918	39.6
163.07550	6.6
163.08714	0.8
163.11186	22.2
163.14833	43.7
164.07010	1.2
164.15198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.8
54.03474	100.0
55.01852	1.1
55.03799	1.2
55.05523	4.9
56.05025	2.2
58.25928	1.0
59.44356	1.0
63.58475	1.1
65.03935	1.2
67.02943	1.3
67.05493	3.5
68.05016	3.8
69.04549	1.4
69.06726	1.1
69.07076	14.7
71.56792	0.9
77.03921	1.8
79.05066	1.3
79.05502	21.4
80.05009	2.8
81.04544	81.3
81.07066	16.2
82.04877	1.2
82.05323	10.4
82.06569	1.2
83.04962	1.1
83.08611	3.8
84.08129	2.9
91.04974	1.2
91.05488	12.6
92.02620	2.7
93.04536	1.3
93.06469	1.7
93.07050	28.8
94.06585	2.0
95.04976	17.6
95.06087	12.2
95.08608	20.5
95.23801	0.9
96.06880	1.2
97.07686	2.1
98.07178	3.7
103.05478	1.6
105.03407	5.3
105.04507	4.0
105.07037	8.3
106.06544	3.1
107.04980	6.0
107.06103	1.2
107.08596	66.0
108.05622	1.6
108.08878	2.0
109.06516	1.5
109.07650	2.6
110.07149	2.2
115.05457	1.3
117.05776	1.7
117.07027	2.9
119.04921	1.3
119.06043	2.9
119.08559	2.8
120.05572	1.8
121.06482	5.4
121.07607	2.6
121.10150	21.9
121.96690	1.0
122.04719	1.3
122.07170	59.4
123.07984	9.4
123.08768	1.2
123.09201	1.1
130.06482	5.6
130.07828	2.3
131.04875	1.8
132.08081	5.7
133.01843	1.4
133.02863	24.9
133.07622	1.8
133.10117	1.1
135.04425	27.7
135.06544	1.2
135.08105	2.4
135.11690	13.3
136.07695	2.0
136.08702	13.3
140.08203	13.2
145.06470	2.4
145.07552	1.1
145.10152	5.8
146.07155	3.9
148.59801	1.0
163.03914	90.3
163.06134	3.6
163.07547	4.0
163.08694	3.9
163.09796	61.5
163.11168	17.8
163.12379	5.2
163.14819	44.6
164.07085	2.7
164.10718	2.6
164.11867	2.7
164.15269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.4
52.73604	0.6
53.03951	11.4
55.01861	2.8
55.05508	7.0
57.07080	1.4
60.63033	0.8
65.03930	1.1
66.19714	0.7
67.05508	21.2
69.07072	9.4
71.14364	1.3
75.76484	0.7
77.03936	2.2
78.04726	0.8
79.05497	53.3
80.05829	1.0
81.03418	4.1
81.07061	31.3
83.04962	1.4
83.08630	4.2
83.09061	0.8
89.03922	1.3
91.04966	1.2
91.05485	15.2
92.02616	3.6
93.07045	51.3
95.04974	17.8
95.08608	27.2
97.06548	1.4
97.10139	1.0
103.05476	1.7
104.04993	3.0
105.03426	4.9
105.04520	4.5
105.05829	3.6
105.07018	6.7
107.04958	5.9
107.08599	39.5
108.08877	0.8
109.06541	1.9
109.10162	1.7
115.05462	0.7
117.03381	1.2
117.07027	5.7
118.06503	0.9
119.04085	0.7
119.08583	9.1
120.04459	1.4
121.06534	4.8
121.10149	42.9
130.06526	2.1
130.07761	1.1
131.04964	1.3
132.04477	1.6
132.08102	2.3
133.02863	26.1
133.05223	1.4
135.04424	29.6
135.08032	2.0
135.11693	11.3
138.03079	0.9
145.02859	0.8
145.06551	0.8
145.10133	10.1
162.05499	0.9
163.03914	100.0
163.07579	2.3
163.11185	34.4
163.12314	1.6
163.14824	30.0
164.04269	2.2
164.07011	0.8
183.84711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
53.00299	0.7
53.03711	0.7
53.03950	10.6
55.01860	2.2
55.05516	9.8
57.07069	2.5
59.42562	0.6
61.02934	5.6
65.03929	1.4
67.05508	25.0
69.03426	2.3
69.06725	0.9
69.07072	11.3
70.13857	3.2
73.02911	1.9
77.03922	1.9
79.05494	56.0
80.05797	0.9
81.03414	3.1
81.07058	38.0
82.07404	1.1
83.08623	7.2
85.02912	3.9
87.34758	0.8
89.03921	1.3
91.03939	2.0
91.05483	23.8
92.02616	3.9
93.07045	60.5
95.04971	16.9
95.08610	35.9
96.08968	1.0
97.02892	1.4
97.10188	1.5
101.22201	0.8
103.05470	3.0
105.03420	5.1
105.04526	4.3
105.07038	6.3
106.06559	1.6
107.04963	4.7
107.08595	50.2
108.08918	1.0
109.06493	1.5
109.10149	2.5
115.05464	3.8
117.03361	1.0
117.07014	16.4
118.07372	0.8
119.05000	0.8
119.05994	0.9
119.08571	7.2
120.02003	0.7
120.08118	0.9
121.06539	4.0
121.10146	57.2
121.57845	0.6
122.10464	1.2
123.08048	0.9
130.06540	1.6
130.07790	1.2
131.04956	1.3
132.08084	2.8
133.02861	25.0
135.04419	29.3
135.08046	2.9
135.11676	6.3
138.03137	1.2
145.02840	0.8
145.06500	5.1
145.10167	4.6
159.79558	0.8
163.03911	100.0
163.07527	6.9
163.11179	23.6
163.12372	2.0
163.14825	46.2
164.04234	3.0
164.07108	1.5
164.15190	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02372	1.3
53.03950	13.3
55.01867	2.3
55.05516	10.9
56.24518	0.8
57.07068	2.0
65.03929	1.5
67.05509	27.6
69.07081	12.1
69.96571	1.3
69.96992	3.1
71.01301	0.8
77.03932	2.7
79.05499	67.6
81.03410	2.3
81.07063	42.3
82.07379	1.0
83.08620	7.4
89.03929	1.8
91.05488	17.9
92.02628	4.1
93.07051	67.0
95.04974	17.2
95.08616	40.0
95.09237	1.6
97.10162	1.7
98.21413	1.1
103.05459	1.8
105.03410	6.1
105.04536	4.9
105.07056	6.7
106.06545	1.0
107.04984	4.9
107.08601	58.3
109.06493	2.0
109.10159	2.9
115.05450	0.9
117.07025	3.3
119.06037	0.8
119.08592	4.9
121.06511	2.8
121.10152	68.7
122.10467	1.2
130.06573	1.9
130.07741	1.0
131.04929	1.6
132.08086	2.2
133.02864	27.6
133.10123	0.8
135.04424	29.1
135.08112	2.0
135.11682	10.7
136.04819	1.6
136.11288	0.7
136.95898	0.9
145.06516	1.3
145.10133	3.9
148.99878	0.8
163.03920	100.0
163.07513	3.1
163.08601	1.8
163.11189	27.8
163.12392	1.7
163.14838	53.4
164.04300	1.3
164.15247	1.3
167.78773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02383	2.1
53.03957	11.4
55.01871	2.3
55.05303	1.0
55.05517	12.5
57.07062	2.6
61.02931	4.8
61.42435	0.8
65.03938	2.4
67.05511	29.4
69.03427	1.6
69.07072	13.3
71.35159	1.6
73.02914	2.3
75.15751	0.9
77.03941	2.8
78.04793	1.1
79.05500	65.7
80.05825	1.0
81.03407	2.0
81.07063	51.3
83.08633	7.5
85.02898	3.7
89.03925	2.4
91.03947	2.0
91.05483	18.5
92.02618	4.5
93.07053	70.9
95.04975	17.2
95.08616	46.9
96.08925	1.1
96.18920	1.0
97.10161	1.2
103.05475	1.6
105.03391	6.0
105.04504	5.2
105.07046	9.2
106.06584	1.3
107.04988	4.9
107.08603	60.4
108.08931	1.7
109.06527	1.6
109.10161	3.6
117.03404	1.2
117.07021	3.4
119.04893	1.0
119.08585	5.5
121.06506	3.9
121.10151	73.7
122.10468	2.2
130.06554	2.3
130.07790	2.0
131.04898	1.6
132.08113	2.0
133.02867	28.5
135.04428	28.9
135.08075	2.8
135.11702	10.6
145.10146	8.5
163.03922	100.0
163.07541	2.4
163.11206	22.0
163.12340	1.3
163.14835	57.0
164.04253	2.1
164.15233	1.6
175.57982	0.9
182.68785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.01602	0.9
51.02360	1.8
53.03951	10.8
55.01623	1.5
55.01874	24.7
55.05508	10.4
57.03442	6.2
57.07081	1.3
61.02911	2.2
65.03940	5.1
67.05505	25.3
68.99787	1.7
69.03436	11.2
69.07066	14.0
71.04988	2.1
73.02909	1.1
74.31283	0.9
77.03922	2.7
77.13332	0.9
79.05495	80.9
81.03423	8.4
81.07058	35.6
83.04971	4.7
83.08612	1.5
84.85478	0.9
89.03922	29.2
91.05483	45.4
92.02586	1.1
93.07048	77.9
94.07362	1.4
95.04976	25.9
95.08611	28.1
97.06533	2.6
103.05473	49.9
105.03394	2.9
105.04517	3.2
105.07037	40.9
105.07642	1.0
107.04961	37.3
107.08597	83.3
109.06539	5.9
115.05451	8.0
116.06244	3.4
117.03380	24.7
117.07021	47.5
117.07849	2.5
118.07352	1.1
119.04910	2.1
119.08587	25.6
120.05753	1.1
121.06507	28.4
121.10147	21.9
123.08075	1.3
128.06227	1.3
129.07005	3.2
130.06389	1.3
130.06770	1.1
130.07779	12.6
131.04933	48.7
132.08124	2.2
133.02858	10.4
133.06480	2.4
133.10121	5.4
134.07285	2.2
135.04422	59.4
135.08063	14.4
135.11699	31.1
136.07562	3.5
143.08569	3.2
145.02859	21.4
145.03957	1.4
145.06519	2.5
145.10124	63.9
146.10472	1.4
148.05127	1.4
154.20595	1.2
163.03914	82.4
163.07535	23.2
163.11180	100.0
163.14818	11.9
164.04285	2.5
164.11633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0867
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
50.42064	0.2
56.96562	0.5
63.92949	1.1
70.53821	0.4
72.08152	0.8
74.18654	0.2
77.03963	0.2
78.95274	2.4
79.05479	0.9
81.93981	0.3
84.08139	0.3
85.02917	0.5
89.03406	0.3
89.03920	4.0
89.22627	0.3
91.05472	0.8
92.04987	0.6
93.07019	0.3
95.04957	0.9
103.05465	2.1
106.06563	0.3
107.04936	1.0
117.03375	3.5
117.05772	0.4
118.03690	0.3
118.06554	1.8
119.97897	1.0
121.06472	0.3
122.94183	1.2
130.06497	0.4
131.04929	2.4
132.08086	0.6
133.02853	0.9
133.07613	15.7
135.03404	0.3
135.04428	6.4
140.95277	1.2
145.02829	2.1
145.07610	16.6
146.06020	0.6
146.08427	1.4
158.96321	1.5
163.03954	7.8
163.08667	100.0
163.96936	0.3
164.07024	0.5
164.09042	2.6
181.02771	0.4
181.98004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02372	1.3
53.03740	0.9
53.03951	9.3
55.01871	8.7
55.05510	4.4
56.41690	0.7
57.03423	3.0
57.07063	0.7
61.02903	1.2
63.44283	0.7
67.05509	10.5
69.03419	2.9
69.07089	5.2
69.74628	3.3
71.04983	1.1
77.03938	2.8
79.05499	29.9
81.03421	3.6
81.07054	10.3
83.04997	2.1
85.02910	1.7
89.03928	7.6
91.04908	0.8
91.05485	17.3
92.02605	3.8
93.07050	34.4
95.04973	19.1
95.08056	1.1
95.08617	10.7
97.06540	1.4
98.21440	0.7
103.05472	7.8
105.03403	5.8
105.04505	3.7
105.07034	15.1
107.04971	14.2
107.08604	26.6
109.06503	2.1
111.04674	0.7
115.05456	3.0
116.06331	0.8
117.03384	5.3
117.07032	16.7
119.08586	9.5
120.02105	1.1
121.06522	10.4
121.10145	7.1
128.06326	0.9
129.06996	1.3
129.52466	0.9
130.06483	1.4
130.07817	4.9
131.04942	7.2
132.08090	1.5
133.02864	22.8
133.10126	1.7
135.04430	38.7
135.08080	5.3
135.11681	11.1
136.07593	0.9
143.08569	1.0
145.02849	5.5
145.06500	0.9
145.10133	24.6
148.08838	1.5
163.03918	100.0
163.07526	4.3
163.11182	38.2
163.14839	3.7
164.04257	2.1
164.07089	1.1
164.11560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0762
Annotation	L-2-Aminoadipate
Peak:m/z	Relative Intensity
53.03944	0.6
55.01871	1.6
55.05517	4.3
56.05038	10.0
56.96566	1.9
57.03439	2.0
57.07082	0.6
58.02953	0.3
58.03769	0.2
58.06601	2.2
58.99600	0.5
58.99871	0.4
59.05002	0.5
60.04520	1.1
60.08160	1.0
60.95843	0.3
61.02927	1.1
63.27855	0.2
67.05511	1.0
68.05031	1.5
69.03438	3.4
69.27785	1.7
70.06596	33.1
71.01353	0.4
71.04991	2.0
72.04527	0.8
72.08151	1.0
73.02930	1.3
73.06563	2.2
73.08497	0.5
74.06081	2.0
75.11427	0.2
76.07652	0.7
77.00921	0.4
79.05492	1.7
80.05021	0.7
81.03414	2.0
81.07054	1.2
82.06583	1.6
82.38703	0.2
83.04990	0.3
83.08630	1.4
84.01586	1.1
84.04509	51.5
84.08147	3.3
85.02909	7.1
85.04836	0.5
85.06548	5.5
85.08488	1.0
86.03751	0.2
87.04477	4.1
88.03981	0.3
89.03927	4.3
90.05551	1.7
91.05499	0.3
92.04987	0.2
93.02129	0.4
93.07063	0.2
94.06567	0.3
95.01332	0.5
95.04998	0.8
95.06123	0.3
96.04469	0.5
96.08144	0.3
97.02898	2.6
98.06061	100.0
98.09689	2.0
98.97572	0.6
99.04449	1.4
99.05798	0.3
99.06358	1.2
99.08119	0.6
99.53445	0.4
100.02507	0.8
100.07623	23.3
101.00857	0.7
101.06057	0.4
101.07951	0.5
102.00961	1.1
102.05531	2.5
102.09182	6.0
102.96863	0.5
103.00635	0.4
103.02409	0.7
103.03963	0.7
103.05491	0.3
105.02156	0.4
106.06550	1.7
106.07208	0.2
107.04967	2.1
109.02235	0.2
109.02836	1.1
109.06518	0.3
110.01243	0.2
110.03204	0.2
112.08743	2.1
113.00885	0.3
113.02377	0.3
113.53220	0.3
114.09164	0.3
115.02458	0.8
115.03978	0.3
116.01693	0.3
116.04877	0.9
116.07099	49.3
116.10731	5.7
116.98664	0.4
117.02153	0.4
117.03384	2.5
118.03541	0.5
118.06462	0.2
119.01909	2.9
119.03632	0.3
120.02019	5.5
120.03147	0.4
120.06600	1.1
120.08108	1.1
120.86498	0.2
120.96571	0.3
120.97974	0.3
121.01675	2.5
121.02453	0.3
122.53702	0.2
123.03210	0.4
126.05521	0.6
126.09156	5.1
127.03961	0.7
129.03990	0.3
129.54510	0.4
130.04143	0.4
130.05005	7.1
130.06497	0.3
130.09781	0.8
131.00198	0.4
131.01923	0.8
131.03523	0.8
132.02043	0.3
132.08043	0.3
133.01837	0.3
133.03583	1.7
133.07614	0.3
134.03624	1.1
134.06020	7.6
134.08165	0.3
134.09618	0.5
134.99666	0.4
135.03247	1.3
135.04434	5.9
137.02994	0.6
138.03084	3.0
138.98996	0.5
139.02682	1.3
141.02774	0.3
143.03661	0.3
144.03291	0.4
144.06566	17.6
144.10205	1.1
144.11366	1.2
144.13837	0.9
145.02788	2.6
145.04959	2.6
145.06729	0.3
145.07706	0.3
145.10475	0.2
147.05125	0.5
148.05173	0.4
149.01244	1.0
149.04800	0.6
152.04686	0.5
153.04297	0.4
156.97508	0.8
157.03488	4.6
160.05226	0.5
161.03032	0.4
161.04771	0.9
162.03250	0.5
162.04222	0.9
162.05533	14.3
162.07642	28.5
162.09099	2.8
162.11267	9.0
162.12630	0.4
162.14948	0.9
163.03908	6.3
163.08717	3.1
167.02177	0.4
174.98599	0.5
175.04536	1.2
178.06284	0.5
179.05798	0.4
180.04030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03955	1.5
55.01865	0.7
55.05515	9.8
64.33302	0.6
65.03931	1.0
67.05510	4.6
69.07074	10.0
69.67036	0.9
69.67426	3.5
77.03914	1.3
79.05504	9.1
81.07066	15.3
82.51392	0.5
83.08633	0.8
88.20998	0.6
91.05489	25.3
93.07059	13.8
95.04968	1.6
95.08628	2.2
95.69090	0.5
103.05468	4.7
105.07040	94.0
106.07354	0.8
107.08608	5.3
115.05474	4.0
117.07020	7.0
118.04217	2.6
118.06531	1.3
118.07823	0.8
119.08591	100.0
119.95816	0.5
120.08888	1.2
121.10168	4.1
128.06227	1.8
130.07796	0.6
131.04921	1.8
131.08577	8.3
132.09328	2.0
133.06505	8.0
133.10141	52.5
134.10474	1.0
143.08536	2.0
145.10161	1.6
146.03636	1.9
146.07260	1.7
146.10919	4.2
159.11774	4.4
159.13181	0.6
161.06004	13.6
161.07143	0.6
161.09645	11.3
161.13268	79.6
161.92758	0.7
162.05518	1.3
162.09102	1.5
162.13628	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	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
54.05053	0.4
55.01883	1.0
55.05515	6.4
67.05521	1.3
69.03426	1.0
69.07069	6.6
71.14249	1.0
79.05502	6.6
81.07063	6.0
91.05489	14.1
93.07057	5.1
95.04971	1.3
97.02887	0.6
98.80297	0.5
103.05465	4.8
104.06308	0.5
105.03435	0.7
105.07037	66.4
106.06634	0.6
106.07372	1.2
107.08604	2.2
115.05479	5.3
117.05766	0.9
117.07025	4.6
118.04163	2.8
118.06101	2.0
119.08588	100.0
119.95760	0.5
120.08891	1.2
121.10179	3.4
124.58862	0.5
128.06241	1.6
131.04909	0.8
131.08575	6.1
133.06500	8.0
133.10135	41.8
134.05969	1.0
143.04985	0.7
143.08566	1.5
144.04541	0.8
145.04807	5.7
145.10149	1.9
146.03703	1.1
146.05605	8.3
146.07262	1.8
146.10927	2.8
159.11682	3.6
161.05984	10.1
161.07935	21.0
161.09615	10.1
161.13264	77.2
162.05493	4.4
162.09169	0.6
162.13567	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03934	1.7
55.01875	1.8
55.05514	5.3
61.99386	0.8
65.03929	1.1
67.05502	11.1
69.03424	1.4
69.07069	4.2
69.39793	7.5
78.93092	1.1
79.05493	19.4
81.07057	17.4
91.05482	56.2
93.07047	13.8
95.04979	2.5
95.08588	6.9
98.21474	1.9
103.05493	4.4
105.07031	92.9
106.07349	1.6
107.04285	1.7
107.04958	17.9
107.08584	5.2
115.05455	20.3
117.07018	33.3
117.07854	1.6
119.08584	65.2
120.08931	1.0
121.06506	3.7
128.06226	10.4
131.04938	3.5
131.08559	8.0
132.09210	0.9
133.06493	13.5
133.10129	54.6
138.72662	0.9
143.04922	1.1
143.08551	16.0
145.06473	2.0
145.10031	0.8
146.07256	13.4
155.06216	0.9
159.11725	2.1
161.05994	17.3
161.09622	100.0
161.13258	61.8
162.05470	1.0
162.10095	1.4
162.13574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03950	2.9
54.77499	0.5
55.01870	3.7
55.05518	2.4
56.19353	0.5
58.99608	2.4
58.99861	0.5
65.03926	0.6
66.04713	0.9
67.05518	0.5
69.07064	3.0
69.20599	3.1
69.21027	1.8
70.06622	0.5
77.03881	0.5
78.93118	0.9
79.05498	17.7
81.03421	0.6
81.07044	2.1
86.99068	1.1
89.03930	0.8
90.04698	2.9
91.05483	8.3
91.06015	0.9
93.07038	2.1
95.04982	2.9
98.06034	0.6
102.04698	0.6
102.25795	0.5
103.05472	23.0
105.07034	100.0
106.06623	0.5
106.07368	1.5
107.04980	1.1
107.08582	0.6
115.05458	26.7
116.01669	1.6
117.07023	1.7
118.04160	16.7
118.32085	0.5
119.08585	19.3
120.08105	1.6
121.10146	0.6
124.61621	0.5
127.34086	0.4
128.06218	0.7
131.04936	4.7
131.08549	2.0
132.05684	1.4
133.06497	43.1
133.10135	11.6
134.06862	1.2
137.96767	0.6
143.04987	0.9
143.06052	4.4
143.08492	1.0
146.03596	1.2
146.07243	1.1
146.10863	0.7
159.11691	0.7
161.05989	15.3
161.07123	0.9
161.09636	5.7
161.13264	16.6
162.05493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03953	3.0
53.23082	0.4
53.79074	0.5
55.01870	4.1
55.05510	1.6
58.99591	2.5
65.03927	0.7
66.04712	1.8
67.05496	0.7
69.03437	0.4
69.07076	1.5
70.80894	1.0
71.02254	0.4
72.08139	0.5
77.03932	0.8
79.05496	17.5
79.05963	0.9
81.03425	0.6
81.07050	1.9
86.99049	1.4
89.03915	1.3
90.04718	3.4
91.04977	0.7
91.05489	8.5
93.07041	1.6
94.35500	0.5
95.04976	3.6
96.64290	0.5
102.04665	1.0
103.05473	22.3
103.47539	0.5
105.03382	1.2
105.07033	100.0
106.07345	1.6
107.04971	1.0
107.08572	0.5
115.05459	26.1
116.01672	1.7
117.07008	2.6
118.04163	19.3
119.04968	0.5
119.08588	14.7
119.95770	0.5
121.06496	0.8
128.06197	1.3
131.04948	4.1
131.08582	2.1
132.05699	1.0
133.06497	42.0
133.10130	10.8
134.05962	0.8
134.06863	0.7
143.04996	1.0
143.06013	3.6
143.08569	1.1
146.03600	1.2
146.07310	0.9
146.10899	0.9
159.11726	0.7
161.02380	0.7
161.05991	14.6
161.07072	0.6
161.09602	7.7
161.13255	12.9
162.05515	1.5
162.09146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.0
58.06593	0.9
60.95135	1.9
70.06604	1.1
71.39585	0.8
72.08157	12.7
75.46370	0.4
82.99868	1.2
84.08149	27.7
87.97753	1.2
98.06059	9.4
98.09680	2.0
98.97585	0.6
101.00885	20.7
101.02003	1.3
101.97769	0.6
116.07120	3.0
116.10743	1.1
118.04642	1.5
119.01926	100.0
119.02964	3.1
119.98798	3.9
120.02013	4.6
121.01675	1.2
124.02511	0.6
126.09168	1.4
130.08641	5.1
133.03516	1.0
136.05710	1.1
137.02975	32.9
137.04027	2.3
137.99835	4.9
138.03165	0.6
142.03540	2.5
143.01938	1.0
143.02977	1.0
144.06555	1.0
144.10197	3.8
146.52817	0.5
156.97505	0.8
159.69548	0.5
160.85614	0.5
161.02957	5.9
161.04152	3.0
161.05275	1.1
161.12886	1.5
162.07648	0.6
169.66191	0.6
174.98538	0.9
179.03972	5.5
179.06363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	0.2
58.99849	0.2
65.07025	0.2
69.92391	0.9
82.99841	1.7
88.46307	0.2
100.02467	0.4
101.00883	24.8
102.00926	1.4
105.91105	0.2
118.03534	0.3
119.01923	100.0
120.01994	4.1
121.01598	0.3
121.02383	0.4
124.02437	0.4
128.56549	0.2
133.03461	0.9
133.98100	0.3
136.48349	0.4
137.02960	25.5
138.03020	1.2
142.03506	1.6
143.03664	1.1
144.03285	0.2
145.48862	0.6
160.04556	0.2
161.02963	4.6
161.04318	0.5
179.04004	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	160.0758
Annotation	Indoleacetaldehyde
Peak:m/z	Relative Intensity
66.41664	0.4
69.07085	0.3
69.40576	2.9
79.62122	0.4
91.05470	0.5
105.07034	3.1
114.05527	0.5
114.09171	0.5
115.05488	0.8
117.05767	11.0
119.08585	1.7
130.06491	0.5
131.07332	0.4
131.08575	0.5
132.08096	5.9
132.09010	0.7
133.06479	0.7
133.10141	1.1
144.04451	27.7
145.05238	46.6
146.05574	1.1
160.07585	100.0
161.06018	0.5
161.07927	1.6
161.09563	0.6
161.13261	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	160.097
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
55.01875	1.9
55.05264	1.4
55.05515	22.3
56.05038	6.2
56.96560	2.2
57.03426	2.4
57.04549	3.7
58.02942	0.9
58.06602	4.8
58.99596	1.2
59.04985	1.6
60.08165	1.0
62.70005	1.0
68.05018	5.3
69.03425	3.3
69.06726	1.7
69.07073	22.2
70.06596	44.7
71.04993	1.5
71.06915	4.5
71.54067	1.3
72.04531	1.3
72.08150	4.0
73.02930	1.4
74.02439	0.9
74.06051	1.1
74.07194	1.7
79.05494	3.0
81.03442	2.5
81.05804	1.5
82.06590	15.7
83.04944	1.1
84.04499	2.7
84.08142	7.3
85.02909	2.9
86.06069	8.8
86.09705	2.8
87.04470	9.5
88.02216	2.3
88.03999	2.9
88.07648	7.4
96.04508	6.6
96.08136	94.0
97.02888	5.0
97.06501	1.4
97.08477	1.4
98.06045	2.8
98.92625	1.0
98.97565	1.7
100.07625	42.7
101.00884	4.3
101.06013	2.1
102.05549	1.8
103.02454	2.4
104.07102	3.3
106.82060	0.9
107.93005	1.0
108.05898	0.9
109.02910	1.6
111.02934	1.5
111.55810	0.9
114.03772	12.5
114.05537	20.9
114.09173	95.9
115.02455	2.0
115.09494	1.5
116.04744	79.6
118.96756	1.9
119.01924	13.2
125.07090	2.0
130.08675	1.2
131.01819	1.0
133.03474	9.2
137.02945	3.6
142.02388	0.9
142.03516	4.2
142.04950	1.5
142.08641	18.7
147.05025	1.0
151.04488	2.3
160.03558	9.0
160.06032	8.6
160.09700	100.0
160.10826	8.2
160.13257	4.9
161.02895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.02382	0.4
53.03942	0.4
55.05529	0.4
65.03937	0.5
67.05515	3.5
68.90669	0.4
76.93375	3.2
79.05490	3.5
81.07059	2.4
87.55332	0.3
91.05487	15.0
93.07059	1.3
94.39752	0.3
94.94423	1.0
95.04958	0.3
95.85737	0.4
96.69083	0.3
98.21530	0.7
103.05489	1.5
105.07037	22.2
113.02370	1.0
113.07915	0.5
114.09164	1.8
115.05450	4.1
116.06259	2.3
116.93585	0.3
117.07024	38.4
117.95965	2.5
118.07301	0.5
118.24776	0.4
119.08581	6.5
128.06219	1.1
129.07010	12.5
130.07813	8.6
131.08575	58.8
132.08910	1.5
135.96991	1.3
141.01794	2.3
141.06955	1.2
142.07758	1.2
143.08560	1.4
144.05687	1.1
144.09349	16.5
157.10165	3.8
159.08124	7.4
159.11697	100.0
160.09721	0.7
160.12059	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	160.037
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07357	0.3
70.06586	1.3
70.15848	1.2
79.70035	0.3
81.01053	0.3
82.06583	0.3
84.08154	0.5
88.07658	0.8
96.08142	0.4
99.39514	0.3
100.07628	1.1
114.09152	1.8
116.04743	100.0
117.05106	1.7
134.05798	0.7
160.02382	0.7
160.03711	12.7
160.09700	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	159.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05536	0.5
60.25267	0.5
65.03925	0.5
67.05504	3.5
70.06607	1.3
71.44850	0.7
76.93377	5.1
79.05519	4.2
81.07059	3.0
91.05486	18.0
93.07070	1.4
94.94439	1.9
95.78577	0.5
103.05447	1.2
105.07036	16.1
113.02402	1.6
114.05545	0.7
114.09158	3.3
115.05447	4.9
116.06261	2.6
117.07024	43.8
117.19869	0.5
117.96001	3.3
119.08578	5.3
122.50783	0.5
123.38058	0.5
126.89623	0.5
128.06209	0.9
129.07014	11.0
130.07799	13.0
131.08577	79.9
132.08911	2.2
135.97028	1.9
141.01857	3.3
142.07765	0.7
144.05643	0.7
144.09348	12.0
157.10117	2.2
159.08150	5.4
159.11699	100.0
160.09669	1.3
160.12088	2.7
161.47888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.03955	0.6
56.96571	2.9
57.03435	0.8
57.07090	0.7
57.93573	1.0
59.93132	1.7
61.02960	0.6
61.04062	1.4
66.98148	0.6
70.06591	4.9
70.15005	0.7
70.15359	2.0
71.01360	1.6
71.04987	1.2
71.95276	0.7
72.08165	3.6
73.04041	0.7
73.95704	1.4
75.93634	0.8
76.93373	5.5
77.94160	1.0
81.03436	1.0
85.02905	0.7
86.06056	0.7
87.04425	0.5
91.05478	2.9
93.05763	0.6
94.94418	1.5
95.04977	0.8
97.04827	0.8
98.20777	0.6
98.97588	10.3
99.01939	0.6
99.04498	0.7
99.97919	0.7
103.05487	1.6
103.31480	0.6
105.07049	2.9
109.95831	0.5
113.02369	2.3
113.07158	1.2
113.07910	0.8
114.05555	2.0
114.09187	2.6
115.05465	19.6
116.04987	0.9
116.97238	1.4
116.98619	7.2
117.01900	1.2
117.05769	18.1
117.07028	2.0
117.95996	4.6
118.06544	3.5
118.96783	6.4
119.08575	0.7
127.00249	1.0
129.07091	1.3
130.06532	25.8
131.04926	5.3
131.06902	1.9
131.08545	4.9
132.08096	100.0
133.08424	2.1
134.99677	5.0
135.96024	0.6
135.97029	2.3
140.04897	0.7
141.01833	5.4
141.06929	0.5
142.06525	26.7
143.07236	1.6
144.05727	0.9
144.09331	1.9
153.00665	0.6
153.96716	2.6
154.96489	2.5
158.08415	1.6
159.03012	1.3
159.04390	1.4
159.08153	4.7
159.09178	86.9
159.11566	6.4
160.04260	0.5
160.06242	0.9
160.07591	16.2
160.09572	2.6
171.97644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.43404	0.4
53.03954	1.0
55.73115	0.4
65.03958	0.5
67.05500	3.2
70.06601	1.2
74.49413	0.4
76.93369	2.7
79.05476	3.5
81.07066	2.1
91.05482	15.6
93.07057	1.1
94.94438	0.4
103.05487	1.1
105.07036	16.1
113.02391	0.9
113.07930	0.5
114.05536	0.8
114.09190	2.1
114.53253	0.5
115.05463	5.1
116.06244	2.8
117.07019	45.7
117.77250	0.5
117.95966	2.5
118.07268	0.8
119.08586	5.9
128.06203	0.9
129.07018	11.5
130.07796	12.5
131.08569	73.1
132.08917	2.0
133.54347	0.5
135.96991	1.3
141.01831	3.2
141.06989	0.5
142.07758	1.1
143.08533	0.9
144.05736	1.0
144.09348	12.8
157.10118	2.6
159.08109	9.3
159.11694	100.0
160.12057	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	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03966	0.5
55.05534	0.7
59.93116	0.4
61.32981	0.3
64.73272	0.3
65.03962	0.4
67.05511	3.2
70.06610	0.9
70.32024	0.3
71.55342	0.3
71.55808	0.4
76.92928	0.6
76.93380	5.0
79.05500	3.1
80.50195	0.3
81.03399	0.3
81.07064	2.7
85.02905	0.5
91.05488	14.8
93.07058	1.3
94.94417	1.5
95.05004	0.5
103.05490	1.3
105.07045	11.9
113.02386	0.8
114.05518	0.6
114.09177	1.8
115.05463	6.2
116.06267	3.0
117.07027	29.9
117.95999	5.3
118.07863	0.4
119.08593	4.8
128.06230	1.3
129.07016	14.5
130.07802	14.9
130.08768	0.7
131.08580	51.7
132.08939	1.1
135.97011	2.2
141.01834	2.5
141.06999	0.5
142.07803	1.1
143.08615	1.0
144.05754	0.5
144.09358	12.7
146.07565	0.3
148.32318	0.3
157.10150	2.1
159.08159	4.0
159.11703	100.0
160.09726	0.9
160.12039	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	158.0813
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03954	0.4
54.15828	0.4
55.01876	5.5
56.96569	3.0
57.03439	0.7
57.93571	2.1
59.43163	0.4
68.05018	1.0
69.07081	3.4
70.06251	0.6
70.06596	8.1
70.45823	1.0
70.46198	0.6
71.95258	0.6
75.94585	0.8
79.05469	0.5
80.04979	0.6
81.03415	1.6
81.05775	1.6
82.20776	0.5
83.04990	0.6
84.04503	6.2
84.08128	2.0
87.04470	0.5
93.95643	0.4
94.06572	22.3
95.06841	0.6
95.07365	6.3
96.04498	22.6
96.08134	8.6
98.06065	16.5
98.97591	17.6
99.67784	0.5
102.05494	0.8
112.07631	5.0
112.55755	7.7
114.05540	21.3
116.07132	0.5
116.97260	7.7
116.98615	11.0
122.06052	6.7
126.55495	1.8
130.06505	0.6
133.94650	0.4
134.95903	0.7
134.99657	3.7
135.06805	1.3
138.05511	1.8
140.07074	100.0
141.07414	1.6
152.96886	3.1
153.00723	0.4
158.08151	26.4
158.09602	2.2
158.11745	1.1
159.08382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
54.98636	0.4
55.01868	1.1
55.05517	12.2
56.05036	1.4
56.05856	0.6
56.96569	35.6
57.03446	2.3
57.07055	0.5
57.93578	0.7
59.05002	1.5
59.93122	1.2
60.95854	0.6
61.02929	0.9
61.04053	1.6
67.05518	0.6
68.05026	0.4
69.03432	3.7
69.07069	0.7
69.90280	1.2
69.90686	0.9
70.06599	6.3
70.98127	1.6
71.01358	1.1
71.05009	2.1
71.06945	0.8
71.95267	6.5
72.08154	2.2
72.98447	0.4
73.02925	1.7
73.04038	1.0
73.06553	4.7
73.95704	0.8
76.93378	3.0
77.00821	0.6
77.94160	0.8
81.03421	3.1
82.06544	0.5
82.99833	0.5
84.01580	0.4
84.08150	3.4
84.33462	0.4
84.96035	0.8
85.02917	3.4
85.08485	1.5
86.06071	0.8
87.01898	0.4
89.00761	0.4
91.05474	0.7
94.94410	0.9
95.04980	0.7
96.04445	0.8
97.02310	0.8
97.02888	5.5
98.06052	0.7
98.97590	100.0
99.01961	1.3
99.04460	1.7
99.05581	11.1
99.97931	4.0
100.07624	1.0
101.00878	3.0
101.06014	3.5
102.02467	0.7
102.04250	0.5
102.53134	1.9
103.00610	0.5
103.05500	0.7
107.04958	1.3
109.02892	1.7
109.05011	0.8
110.97607	0.5
111.53648	3.4
112.07631	1.4
113.00897	0.8
113.02367	1.0
113.05981	0.6
113.07140	1.2
113.07928	0.7
114.05553	2.1
114.09135	0.8
115.02441	0.8
115.05488	1.1
116.00173	0.6
116.07027	0.5
116.98627	85.7
117.07030	0.5
117.95988	2.6
117.97637	0.5
117.98941	3.7
117.99644	0.4
118.08601	0.4
118.96781	3.1
119.01923	6.7
127.00285	1.0
127.03962	0.7
128.98640	0.8
129.04002	1.9
130.06555	0.8
130.08632	0.8
131.00204	1.1
131.01913	1.9
131.05606	4.7
131.06882	1.7
131.08560	1.7
132.05682	0.7
132.08115	1.4
133.01630	0.5
134.99666	46.5
135.53621	0.8
135.95630	0.8
135.97054	0.9
136.00006	1.6
137.03006	0.8
137.05994	1.2
138.05278	1.1
140.00206	1.9
140.98572	0.8
141.01874	3.0
141.05515	0.5
141.07414	1.0
142.03532	0.7
142.06538	1.2
142.08626	0.7
143.01906	13.6
144.02057	1.4
144.08168	0.5
144.53004	0.8
144.54094	0.6
145.01581	2.0
145.03416	1.1
146.99632	0.8
147.05861	6.4
147.55847	1.4
149.01248	1.3
149.02988	0.5
149.06592	8.2
150.06758	1.2
151.06349	1.0
153.00725	5.8
153.96758	1.7
154.96489	1.4
155.01962	0.8
156.06165	0.5
157.03743	0.5
158.01271	2.0
158.56529	0.6
158.99641	1.3
159.03009	0.5
159.06380	1.3
159.07759	1.7
159.09203	2.5
159.11659	1.4
160.04292	1.6
160.09705	0.9
160.10854	0.9
161.02969	13.0
162.03099	1.8
163.02718	2.2
173.03009	0.9
173.06587	1.5
174.04391	0.8
177.00713	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
54.97705	0.2
54.98634	0.4
55.01882	0.7
55.05515	0.7
56.05047	0.3
56.96568	20.9
57.03447	1.7
57.93572	2.3
58.06607	1.4
59.04999	0.2
59.30599	0.2
61.02941	0.3
67.05511	0.5
67.51065	0.2
68.02675	0.3
68.05027	0.5
69.03437	0.8
69.07079	0.3
70.02963	0.3
70.06596	11.2
70.29941	0.6
70.30293	0.4
70.98120	1.0
71.01347	0.5
71.05000	2.3
71.06117	0.9
71.95267	3.2
72.04514	0.4
72.08167	0.7
73.02921	0.7
74.93819	0.2
74.97610	0.3
75.04491	0.3
75.94614	1.0
77.00838	0.3
81.03422	1.8
82.06594	0.8
84.04510	0.5
84.08148	63.7
84.96046	0.7
85.02915	0.9
85.06528	0.4
85.07632	0.3
85.08476	0.4
86.03696	0.5
88.07635	0.4
88.08753	0.5
88.99171	0.3
90.01566	0.2
90.22381	0.2
91.02401	0.2
91.05486	0.3
93.95660	0.5
94.06578	0.5
95.06090	0.5
96.01555	0.7
96.04524	0.4
97.02895	1.2
97.96803	1.2
97.99206	0.5
98.06075	1.3
98.09700	17.9
98.97590	100.0
99.04460	0.4
99.97938	0.5
100.02476	0.3
100.05257	0.2
101.00854	0.7
101.52389	0.3
102.02261	0.4
102.09169	0.3
102.51296	0.2
103.00626	0.8
103.02354	0.4
105.02099	0.2
106.06540	0.3
107.04957	4.2
108.01541	0.3
109.02887	0.9
109.99204	0.5
110.01283	0.8
110.07164	0.7
110.97578	0.7
112.04008	0.2
112.07638	1.3
112.08729	6.6
112.11256	0.5
112.55719	0.3
113.07114	0.3
114.09180	1.0
115.02409	0.3
115.97845	0.6
116.00267	0.3
116.07098	2.1
116.97366	8.9
116.98623	68.7
117.01977	1.2
118.01026	0.4
118.06555	0.3
119.01905	1.8
119.07322	1.2
120.01467	0.3
121.01665	2.1
121.52096	0.3
123.11713	0.2
126.00769	0.5
126.02570	0.8
126.53062	0.5
127.01547	1.0
128.00209	0.3
128.98598	0.7
129.02000	1.0
130.03481	0.5
130.06519	1.2
130.52559	0.4
131.00194	1.0
131.01872	0.5
131.99550	0.8
133.98836	0.2
134.06013	1.0
134.95828	1.2
134.99667	30.6
135.03169	0.7
135.06789	1.8
135.53606	1.0
137.00099	0.2
137.02919	0.3
139.02698	0.6
140.00197	2.0
140.07077	0.5
140.10736	0.3
141.06566	0.5
144.03265	0.9
144.53151	0.2
144.54131	1.2
145.01479	0.3
146.99661	0.5
148.96194	0.4
149.01210	0.6
149.02937	0.4
150.09164	0.8
152.96928	3.0
153.00708	3.3
158.01265	1.9
158.06068	0.4
158.08134	0.5
158.09270	8.1
158.11772	17.2
158.12900	1.6
158.15350	1.3
158.99786	0.3
164.02303	0.6
164.65485	0.3
175.98532	0.3
176.05843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40811	0.7
53.03918	1.3
54.70082	0.8
55.01850	1.0
55.05515	15.0
55.93527	3.6
56.05009	1.7
56.94281	0.9
57.03428	1.1
59.04980	0.8
60.04500	1.4
65.03909	0.7
67.05519	3.4
67.05773	0.7
68.04980	2.4
69.03413	1.8
69.07031	2.8
69.57922	0.8
70.06597	4.2
70.95869	58.1
71.04996	9.2
71.20536	1.7
72.08114	1.0
72.93793	43.6
73.93801	1.6
74.93855	5.2
79.05495	12.1
81.07010	2.1
82.02910	1.5
82.06542	2.4
83.04962	1.2
83.06076	1.6
84.04485	0.8
84.08131	1.1
85.06548	56.2
86.00621	1.1
86.06071	13.1
86.09680	2.3
87.04450	1.5
88.96416	0.7
88.96911	11.5
90.94833	10.6
91.05473	0.9
92.94796	1.1
93.04473	1.0
93.06999	2.8
94.06532	2.2
95.04970	1.8
95.06048	0.9
95.08582	1.9
96.04453	2.9
96.08139	6.8
96.37067	0.8
97.05251	1.5
97.06541	3.9
97.07059	0.8
100.07616	1.4
106.06564	26.1
106.97914	1.0
108.08126	0.8
108.95847	1.7
110.02389	1.8
110.06066	4.9
110.07169	10.3
110.09692	3.9
111.04453	1.2
111.08098	11.2
111.98486	23.4
112.07603	0.8
113.04271	0.9
113.96391	6.5
114.05502	0.9
114.09150	1.3
114.94771	1.3
114.96500	1.3
115.96450	3.8
124.07598	76.1
126.09180	5.3
128.07106	1.2
128.10756	1.6
129.06996	1.4
129.99518	9.8
130.06570	1.0
131.97432	1.3
132.72327	0.7
132.95845	70.3
133.97449	2.3
138.05516	1.6
138.09119	7.3
139.07515	2.8
141.07005	1.7
142.07748	1.6
146.97325	0.9
150.96898	100.0
151.96997	1.1
155.97447	6.4
156.06509	2.1
156.07614	1.1
156.08153	1.3
156.10219	34.3
156.13770	1.7
168.97993	3.3
173.98515	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	156.1021
Annotation	Arecoline
Peak:m/z	Relative Intensity
51.07228	0.7
53.03960	1.8
55.01870	1.0
55.05514	20.5
55.93523	2.3
56.05041	2.2
60.04534	2.0
66.30914	0.6
67.05514	3.8
68.05029	2.6
69.03431	2.4
69.07072	2.3
70.06590	4.5
70.95870	35.9
71.04987	12.9
72.93396	1.7
72.93794	28.3
73.93815	0.7
74.93833	3.2
79.05496	16.2
80.05011	1.6
81.07047	1.1
82.02938	2.1
82.06596	1.3
83.06096	1.0
85.06549	71.4
86.02553	0.7
86.06070	17.6
86.06874	1.3
87.04469	1.6
88.96899	6.2
90.94836	5.9
92.94905	1.2
94.06580	0.9
95.05002	1.2
95.08606	1.2
96.04486	1.4
96.08141	8.8
97.06538	2.6
97.56589	0.7
106.06563	35.6
110.02429	0.7
110.06008	1.9
110.07172	5.9
110.09700	1.0
111.08102	1.0
111.98479	13.9
113.96420	2.6
114.94807	0.8
115.96452	2.4
124.07598	100.0
125.07929	0.8
126.09160	1.8
128.07076	1.0
128.10721	0.7
129.99532	4.8
131.97388	1.2
132.95842	44.0
133.97414	1.0
138.05511	1.3
138.09125	1.6
139.07516	1.9
141.06964	1.7
141.74170	0.7
142.07748	0.9
150.96901	63.6
155.97383	4.0
156.06543	1.7
156.10219	34.1
156.13829	2.4
157.07603	1.1
164.98442	1.0
168.97998	2.4
173.98544	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	156.077
Annotation	Histidine
Peak:m/z	Relative Intensity
53.12217	0.2
53.51566	0.2
55.01868	0.4
56.05056	0.9
56.96567	0.7
57.03444	0.5
58.99877	0.4
60.96936	0.1
67.05491	0.2
68.05037	1.0
70.06593	1.1
70.95876	1.3
70.99881	0.2
71.31154	0.4
72.08171	0.3
72.45116	0.2
72.93787	0.8
78.52969	0.5
80.60722	0.2
81.03419	0.2
81.04548	0.8
82.01456	0.6
82.05319	2.4
82.99823	0.9
83.06113	10.9
84.08157	0.2
85.01436	0.4
85.07684	0.4
86.52695	0.2
88.96906	0.3
91.02490	0.4
92.52718	0.2
92.80727	0.2
93.04536	7.6
95.01338	0.3
95.06101	8.0
100.02504	1.4
101.00890	11.3
101.02592	0.5
101.53205	0.2
102.00971	0.5
103.02470	1.4
110.07175	100.0
111.02045	0.2
111.05567	0.7
111.06850	0.2
111.07500	1.4
111.98477	0.6
113.96507	0.2
114.04037	0.2
115.02401	0.8
118.03520	0.6
119.01933	33.5
120.02020	1.3
121.03487	0.5
124.02480	1.5
126.09166	0.4
131.01907	0.4
132.02011	0.4
132.05086	0.5
132.95839	2.1
133.01707	0.5
133.03488	4.9
134.03578	0.3
137.02966	7.5
137.04030	0.4
138.03046	0.3
138.06598	0.3
142.03514	15.5
143.03659	0.6
150.96902	2.3
151.04524	1.6
156.05048	0.9
156.07700	8.2
156.10190	0.8
160.02361	0.2
160.04555	3.2
165.05032	0.3
171.31258	0.2
174.06088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54206	0.2
56.05034	1.0
68.05021	0.7
70.06593	0.5
70.90724	0.5
70.91065	0.4
75.42535	0.3
81.04553	0.8
82.05324	2.5
83.06110	11.7
84.06427	0.3
93.04536	7.8
95.06092	7.6
110.07172	100.0
111.05579	0.8
111.07511	0.9
119.01944	0.4
133.03467	0.6
156.07697	8.3
156.08917	0.5
162.27968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	Histidine
Peak:m/z	Relative Intensity
51.24067	0.1
53.03945	0.1
54.03458	0.1
55.01876	1.2
55.05510	0.5
55.93520	0.2
56.05033	1.3
56.96565	1.6
57.03427	0.3
58.97303	0.1
58.99858	0.2
60.95866	0.1
61.02936	0.1
67.05511	0.2
68.05032	1.3
69.03426	0.3
69.04565	0.2
69.07065	0.7
69.23553	0.1
69.96180	0.2
70.06207	0.2
70.06591	2.5
70.84328	0.2
70.95864	2.9
70.96474	0.1
70.98097	0.2
71.04993	0.2
71.06120	0.1
71.06924	0.2
71.94090	0.2
72.08155	1.8
72.93789	2.0
73.02912	0.2
76.02717	0.2
78.52959	0.2
79.05499	0.2
81.04544	0.9
82.01450	0.4
82.04848	0.2
82.05322	2.6
82.06575	0.8
82.99850	0.3
83.06105	11.8
84.04496	0.3
84.06448	0.2
84.08160	0.7
84.99259	0.1
85.01414	0.2
85.06557	0.1
85.07664	1.3
86.06071	1.2
86.09706	0.2
87.04493	0.2
87.06403	0.2
88.03982	0.2
88.96883	0.5
90.94817	0.4
91.05477	0.2
92.52703	0.2
93.04528	7.5
93.07053	0.3
93.44127	0.1
94.04871	0.2
95.06092	7.0
96.04493	0.4
96.06413	0.2
96.08144	0.4
97.02871	0.1
97.04797	0.3
97.06507	0.1
97.07641	0.2
98.06054	0.3
98.09699	0.2
98.97589	0.3
100.02469	0.8
100.07603	0.1
101.00877	3.6
101.53197	0.1
102.00945	0.2
103.02457	0.8
103.05443	0.1
107.04971	1.0
110.07166	100.0
110.09654	2.7
111.04406	0.2
111.05572	0.8
111.06853	0.3
111.07500	1.4
111.09206	0.4
111.98454	1.2
112.02608	0.1
112.03929	0.1
112.07594	0.3
112.08733	0.2
113.08384	0.2
113.10791	0.3
114.04042	0.3
114.05553	0.6
114.09149	0.6
115.02399	0.8
116.08484	0.2
117.01875	0.2
118.01143	0.2
118.03555	0.4
119.01921	14.8
120.02070	0.5
120.05750	0.2
121.03444	0.3
121.06525	0.4
124.02470	0.6
125.07093	0.5
126.09129	0.8
128.07088	0.3
128.08218	0.5
128.10715	0.3
129.99538	0.5
131.01895	0.4
131.96179	0.4
132.02000	0.3
132.05070	1.1
132.95808	3.1
133.01761	0.5
133.03467	3.6
133.07645	0.1
135.53590	0.1
137.02951	4.0
138.03108	0.2
138.05495	0.7
138.06480	0.2
138.09116	0.4
139.05046	0.1
139.08562	0.2
139.09546	0.6
141.06450	2.6
142.03499	6.4
143.03616	0.2
144.54143	0.6
147.03801	0.4
149.97220	0.6
150.03268	0.1
150.06111	0.5
150.09175	0.2
150.96866	4.9
151.04543	1.0
155.97438	0.3
156.05141	0.8
156.06572	0.5
156.07686	7.8
156.08778	0.6
156.10172	3.8
156.12160	0.8
156.13808	0.5
156.14966	0.3
157.09723	0.5
160.04536	1.8
161.04730	0.2
168.97980	0.1
173.98512	0.2
174.06104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64111	0.3
53.94181	0.4
54.93833	3.8
55.05503	0.6
55.93539	0.5
56.96565	1.1
67.05493	0.6
69.96179	32.5
70.20959	1.1
70.95871	5.9
71.94102	13.0
72.04539	0.6
72.93792	11.5
72.94197	0.6
72.94875	0.5
79.65796	0.4
80.51074	0.4
87.97207	1.0
88.67190	0.5
88.96915	1.0
89.95121	0.7
90.94839	2.8
95.04955	0.4
100.02463	0.6
101.00844	0.5
110.98772	1.8
111.04436	0.9
111.98483	2.8
113.00869	0.7
113.06045	0.4
113.95110	4.4
113.96397	4.6
114.04067	1.0
119.01922	1.7
119.70615	0.4
126.41536	0.4
127.03842	0.4
129.99486	0.7
131.01936	3.6
131.96153	82.7
132.02010	1.3
132.05074	10.1
132.95828	8.2
133.03462	0.8
145.97667	0.5
149.02881	0.4
149.50803	0.5
149.97206	100.0
150.06136	4.8
150.96867	9.8
154.97757	3.6
155.01895	0.5
155.07007	1.2
155.97388	0.6
163.98787	0.8
167.98250	6.4
172.98828	4.2
173.98491	0.7
174.06149	0.9
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	Unknow
Peak:m/z	Relative Intensity
50.38739	0.2
51.52912	0.2
53.03940	0.3
53.41876	0.2
55.01866	0.4
55.05261	0.3
55.05513	4.3
56.05040	1.5
56.05841	0.2
56.34893	0.2
57.03421	0.3
57.07074	0.6
67.05506	1.6
68.05025	0.3
68.96323	0.2
69.03423	0.6
69.67813	0.9
70.06578	0.8
70.94270	0.2
71.04998	0.5
71.94096	0.3
72.93793	4.0
79.05492	2.2
81.03421	0.3
81.07064	7.0
82.06583	1.5
82.07361	0.3
83.04974	0.6
83.07355	0.7
83.08617	0.9
84.04485	0.5
84.08131	0.7
90.94827	0.7
91.05470	0.9
93.05787	0.5
93.07047	0.5
94.07360	0.3
95.04974	2.9
95.08597	0.6
96.04484	0.7
96.05307	4.2
96.08146	0.4
97.05279	2.5
98.06067	2.8
98.09691	1.9
99.04438	0.4
107.08594	0.2
108.04537	0.2
108.08141	3.0
108.08892	0.4
109.06531	5.0
109.10166	0.9
109.98966	0.3
110.06051	4.2
110.06784	0.3
111.04434	0.4
111.06847	3.9
111.08064	0.3
112.07581	0.4
112.08411	0.4
113.06019	0.4
113.96401	2.3
123.04430	0.3
124.00812	0.2
124.07580	0.5
125.08376	0.8
126.05547	0.5
126.06386	0.2
126.09169	3.2
126.10027	0.4
130.96336	0.7
131.96201	0.2
131.97467	0.9
136.07570	2.1
138.05495	0.6
139.06303	4.8
139.07396	0.5
148.97386	0.8
152.07095	0.3
154.08641	100.0
155.07071	0.5
155.08974	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03940	5.8
55.01858	5.0
55.05516	19.1
57.03453	7.3
57.07063	2.1
57.19880	1.2
59.05005	7.4
62.99076	12.9
65.00650	7.3
65.03946	29.7
67.05171	2.3
67.05508	29.8
68.96324	2.7
69.03438	10.3
69.06721	1.7
69.07069	21.4
70.06562	1.7
70.94265	17.7
70.95868	6.0
71.01352	4.8
71.04998	26.0
71.55054	1.4
71.94104	3.0
72.08131	1.3
73.02912	1.2
73.06219	1.5
73.06565	16.3
79.05497	48.5
80.05000	1.9
80.12438	1.2
81.03412	5.1
81.07063	81.1
82.04196	1.6
82.06575	2.0
82.07411	1.5
83.04986	16.4
83.07352	1.3
83.08611	4.9
88.95287	3.6
88.96886	2.0
89.02399	7.6
91.05485	24.1
92.05725	1.3
93.03415	13.6
93.07051	50.2
95.04975	100.0
95.08611	14.8
96.05293	1.5
97.06535	17.9
105.07056	7.6
107.01656	16.2
107.04971	13.9
107.06115	2.0
107.08601	69.8
108.08102	2.2
109.06519	18.4
109.10162	16.3
110.03675	6.8
111.04449	44.5
111.08078	18.7
111.11735	2.5
111.96880	9.0
112.07555	1.6
115.05458	1.3
117.07008	4.7
119.06044	2.4
119.08595	2.7
122.06848	1.9
123.04421	1.8
125.02400	1.6
125.06001	17.3
125.09627	8.6
126.09149	3.5
129.97923	7.5
130.96318	2.8
135.04405	4.4
135.08049	17.2
135.11699	23.1
136.03983	2.9
136.07518	3.4
136.11208	1.6
138.03117	8.0
138.06754	2.5
148.97353	6.1
153.01904	8.1
153.04248	1.5
153.05484	28.1
153.06575	2.4
153.07486	1.6
153.07791	1.7
153.09117	20.4
153.10223	2.8
153.12753	20.3
153.13876	1.4
154.04971	5.1
154.08640	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03938	7.0
55.01867	4.9
55.05516	25.0
57.03432	3.6
57.07068	2.1
59.05003	10.5
62.98789	1.6
62.99080	17.6
65.00642	10.6
65.03940	24.8
67.05505	30.6
68.99795	1.9
69.03432	11.4
69.06720	1.8
69.07071	25.3
69.83701	4.0
69.84109	2.6
70.94269	17.7
70.95849	5.7
71.01344	4.4
71.04995	37.1
72.08134	2.9
73.06556	20.8
79.05496	55.6
79.05959	2.7
80.05027	1.8
81.03403	5.7
81.07060	100.0
82.06580	2.1
82.07381	3.0
83.04980	15.3
83.07364	1.9
83.08617	4.2
85.02900	1.6
85.06536	2.1
88.95282	3.3
88.96851	1.5
89.02406	12.8
91.05485	20.7
93.03410	15.1
93.07050	58.9
95.04973	72.6
95.08608	15.4
97.02882	2.6
97.06535	20.6
97.10144	1.2
98.06034	1.1
105.07034	8.2
107.01668	22.6
107.04957	10.6
107.08599	82.9
109.06532	17.0
109.10158	21.2
110.03663	7.8
111.04446	43.6
111.08077	16.3
111.96882	7.1
115.05465	1.3
117.06980	2.8
119.06033	1.4
119.08598	2.2
122.06839	1.5
125.06016	17.7
125.06975	2.2
125.09618	5.9
126.05501	1.9
126.09101	3.2
129.97919	5.8
130.96297	4.8
135.04407	4.8
135.08078	13.3
135.11702	31.0
136.07562	4.0
138.03110	5.4
138.06816	2.0
146.84253	1.4
148.97372	5.6
153.01836	9.6
153.04309	1.6
153.05470	24.1
153.06583	3.2
153.07420	1.6
153.09111	17.5
153.10213	2.7
153.12762	19.9
154.04950	5.8
154.08629	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	153.1274
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03942	2.1
54.44361	0.8
55.01869	3.7
55.05513	13.7
57.03439	5.4
57.07064	2.5
62.51255	0.7
62.99082	12.0
65.00636	7.6
65.03947	6.6
67.05507	34.5
69.03432	2.5
69.07069	55.5
69.50948	0.7
70.15858	2.6
70.94269	6.4
70.95857	2.7
71.01341	2.9
71.04984	2.9
71.26019	0.9
71.94107	3.8
77.03895	1.0
79.05494	32.5
80.05854	0.9
81.03451	0.9
81.07059	39.5
83.04987	10.4
83.08624	7.6
85.06544	2.8
88.95307	1.4
89.02391	8.3
91.05492	7.9
93.03391	2.3
93.07048	51.1
94.07367	1.1
95.04971	3.7
95.08612	19.1
97.06539	22.8
97.10126	1.3
98.21434	0.9
105.04512	0.9
105.07032	2.1
107.01670	15.0
107.04948	3.0
107.08600	51.6
108.86527	0.8
109.06517	2.1
109.10163	33.4
110.03667	2.2
111.04482	7.5
111.08090	9.0
111.11692	0.9
111.96884	4.0
111.98553	1.0
112.04788	1.1
117.07067	1.6
122.06901	1.1
125.05997	5.5
125.09622	1.9
126.05511	1.1
126.06355	1.8
126.09147	1.1
129.95145	0.7
129.97913	2.4
135.08066	2.6
135.11696	100.0
136.03952	1.8
136.12012	2.2
138.03117	2.5
138.05051	1.1
153.02046	0.9
153.05527	9.4
153.06616	1.2
153.07320	4.0
153.09106	3.6
153.12755	85.7
154.04967	1.5
154.08638	1.1
154.13080	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	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.2
55.01873	0.2
55.05506	0.5
56.42381	0.1
57.03453	0.2
57.24809	0.1
60.80168	0.1
62.99095	0.2
65.00628	0.2
65.03942	2.3
67.05505	3.6
69.03437	0.2
69.07065	0.3
70.84437	0.3
70.84750	0.2
70.94260	0.3
70.99360	0.1
71.04990	0.6
79.05495	0.8
81.03445	0.2
81.07044	0.8
83.04977	0.9
85.02911	0.2
85.94334	0.1
88.68240	0.2
91.05479	0.7
93.03439	0.3
93.07054	1.3
95.04974	100.0
96.05295	1.2
97.06518	0.4
98.69975	0.1
105.07002	0.3
107.01630	0.7
107.04971	0.4
107.08592	1.1
109.06543	1.0
109.10149	0.3
111.04475	0.3
111.08083	4.2
121.02871	0.7
125.05963	0.3
129.88878	0.1
135.08072	1.1
135.11702	0.3
135.48679	0.1
138.03102	0.3
153.01942	0.2
153.05531	0.8
153.06569	0.1
153.09111	2.4
153.10188	0.1
153.12750	0.6
154.08565	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	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03946	2.7
55.01625	1.4
55.01875	22.5
55.05513	11.9
57.03434	5.3
59.04705	1.0
59.05005	19.9
59.24965	0.8
60.22915	0.7
62.99092	4.5
65.00639	2.8
65.03941	15.7
67.05174	1.1
67.05511	15.3
68.96355	1.1
68.99788	2.7
69.03430	11.6
69.07068	7.1
70.94269	5.4
70.95873	2.4
71.01365	1.6
71.04993	3.5
71.55313	1.5
71.94110	1.1
73.06560	0.9
75.04487	0.8
77.03938	1.1
79.05495	38.0
81.03432	2.3
81.07056	12.5
82.04189	1.4
83.01342	0.9
83.04984	20.3
83.08624	2.8
85.02900	1.3
88.95281	1.5
89.02396	4.4
91.05486	29.7
93.03416	5.6
93.07046	18.5
94.06557	0.8
95.04972	100.0
95.08617	6.9
96.05315	1.5
97.02885	1.8
97.06544	8.7
97.08463	0.8
103.92531	0.8
105.04515	1.3
105.07031	14.2
107.01655	6.5
107.04972	12.4
107.08598	62.0
108.04509	0.9
108.05708	1.8
108.08216	0.8
108.08948	1.7
109.06520	16.0
109.10164	3.6
110.03674	4.5
111.04447	27.5
111.08083	17.5
111.96881	2.7
115.05468	2.9
117.07018	6.1
119.06077	2.8
121.02862	3.1
121.03768	0.9
121.06509	2.8
121.56834	0.7
123.08076	21.0
124.05073	0.7
124.08907	1.0
125.06013	9.9
125.09637	25.0
129.97899	2.1
130.96303	1.2
133.07639	1.4
135.04407	1.1
135.08057	43.1
135.11670	2.7
136.07542	1.5
136.08463	0.8
138.03096	4.0
138.06799	1.7
148.97360	1.6
153.01898	5.2
153.05478	15.4
153.06592	1.2
153.09111	28.5
153.10188	1.9
153.12740	5.3
154.02162	0.8
154.04991	1.7
154.08626	3.5
161.49405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05511	0.8
57.03458	0.4
60.49715	0.3
61.49370	0.2
62.99087	0.8
65.00648	0.5
65.03946	2.1
66.45695	0.2
67.05512	3.8
69.07063	0.5
69.38404	0.5
69.38811	1.7
71.01360	0.3
71.04981	0.7
79.05488	1.6
81.07069	1.8
83.04986	0.9
89.02409	0.7
91.05478	0.9
93.03426	0.4
93.07043	1.7
95.04974	100.0
96.05284	1.6
97.06541	0.8
107.01672	1.0
107.04926	0.3
107.08598	1.8
109.06528	2.3
109.58651	0.2
110.03642	0.2
111.04452	0.7
111.06869	0.3
111.08090	4.2
111.96856	0.3
125.05972	0.5
125.09594	0.3
126.09122	0.3
135.08084	0.8
135.11697	0.3
139.06320	0.2
147.87042	0.2
153.01860	0.3
153.05525	0.9
153.09132	2.3
153.12808	0.4
154.08641	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	153.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
53.28808	0.3
55.01876	1.0
55.05503	1.1
62.99082	9.3
65.00646	6.2
65.03946	8.6
67.05516	1.8
68.99823	0.3
69.03436	0.7
69.07061	1.7
70.06570	0.3
70.94264	3.2
70.95856	0.8
71.01365	1.8
71.05001	1.7
71.55541	0.3
71.94102	1.1
77.03930	0.4
79.05061	0.6
79.05499	9.7
80.05013	0.5
81.03433	1.6
81.07063	1.5
82.04205	5.0
83.04988	2.0
83.08640	0.6
85.02898	0.5
88.95302	0.9
89.01891	0.5
89.02402	7.4
91.05489	1.2
92.02638	0.5
93.03422	2.5
93.07046	3.3
95.04981	3.7
95.08620	1.2
97.06540	3.2
105.04501	0.6
107.01660	12.7
107.04963	3.8
107.08602	2.2
109.06503	0.5
110.03667	12.1
111.04465	4.7
111.05596	0.3
111.08101	1.4
111.96874	1.6
112.96693	0.4
120.01922	0.3
121.02829	0.5
121.10126	0.7
123.24918	0.3
125.06001	9.6
125.09629	0.5
129.97894	1.6
135.04417	0.7
135.08067	1.0
135.11737	0.7
138.03127	62.4
139.03442	1.0
152.42316	0.3
153.05475	100.0
153.12695	1.7
154.05954	1.4
154.08594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.1
53.03938	0.2
55.01866	0.3
55.05516	1.6
57.03447	0.5
59.05005	0.2
62.35742	0.1
62.99070	0.9
65.00641	0.6
65.03943	3.7
67.05508	5.1
68.05020	0.1
68.96350	0.3
68.99810	0.1
69.03433	0.8
69.07071	0.8
69.40352	0.7
69.89816	0.1
70.94260	1.2
70.95871	0.5
71.01358	0.2
71.04993	0.7
71.94132	0.2
72.08154	0.2
73.06560	0.1
79.05494	3.0
79.05964	0.1
80.05030	0.6
81.03424	0.3
81.07053	2.1
82.06574	0.2
82.85265	0.1
83.01346	0.2
83.04986	1.6
83.07351	0.2
83.08626	0.4
84.08154	0.3
85.02885	0.1
86.09709	0.4
88.95309	0.3
88.96883	0.1
89.02400	0.7
91.05483	1.4
93.03403	0.9
93.07053	2.2
95.04973	100.0
95.08571	0.7
96.05306	1.7
97.02896	0.3
97.05283	0.2
97.06535	1.2
97.08488	0.1
98.06087	0.2
98.09698	0.2
98.20742	0.2
105.07014	0.5
107.01658	1.3
107.04955	1.9
107.06104	0.2
107.07866	0.2
107.08600	3.1
108.04468	0.1
108.08156	0.5
109.06528	1.7
109.10155	0.8
110.03643	0.5
110.06071	0.4
111.04455	2.7
111.05259	0.1
111.05595	0.2
111.06890	0.2
111.08083	2.2
111.96908	0.7
117.07008	0.3
119.06112	0.1
121.06516	0.2
122.06864	0.1
123.08068	0.2
125.05148	0.2
125.05994	1.6
125.09658	0.7
126.05535	0.1
126.09166	0.5
129.97922	0.3
130.96313	0.3
135.04460	0.4
135.08060	1.6
135.11688	0.4
136.03984	0.2
136.07585	0.4
136.11205	0.6
137.02325	0.4
138.03134	1.3
138.05577	0.1
138.06761	0.4
139.06300	0.4
147.72185	0.1
148.97371	0.5
153.01901	0.6
153.04395	0.1
153.05479	3.8
153.06573	0.2
153.09113	2.2
153.10245	0.3
153.12761	0.8
154.05019	0.4
154.08632	6.7
154.12097	0.2
154.83791	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	153.0547
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
53.03940	2.1
55.01867	1.5
55.05512	2.3
57.03446	1.0
61.01148	0.5
62.99078	11.5
65.00644	8.4
65.03946	11.3
67.05503	3.1
69.03426	1.2
69.07062	1.8
70.94267	5.4
70.95867	2.0
71.01359	1.5
71.04970	0.9
71.94102	3.8
71.95268	1.1
74.60989	0.5
77.03942	0.6
77.67434	0.5
79.05057	0.9
79.05497	11.4
81.03410	1.2
81.07072	2.6
82.04198	5.0
82.06557	0.6
83.01376	0.5
83.04977	3.1
83.07367	0.7
84.08121	0.7
88.95303	2.0
88.96886	0.9
89.02394	11.0
91.05486	2.5
92.02638	0.7
93.03423	3.1
93.07039	3.7
95.04965	4.7
95.08606	1.0
97.02896	0.6
97.06548	3.7
105.04507	0.5
106.96309	0.5
107.01659	18.9
107.04967	4.9
107.08614	4.0
107.82416	0.4
108.08143	0.5
109.06543	1.0
109.10162	1.9
110.03669	11.9
111.04456	8.8
111.08091	3.1
111.96880	3.0
111.98445	0.5
112.96714	1.5
117.07046	0.6
122.06853	0.6
124.05350	0.5
125.05127	0.4
125.05993	11.1
125.09641	1.3
126.09188	0.9
129.97919	2.3
135.04422	1.1
135.05382	0.5
135.06389	0.6
135.08080	1.6
135.11667	1.0
136.03957	1.0
136.07582	0.8
138.03127	63.4
139.03500	1.1
144.62871	0.4
153.05473	100.0
153.08971	2.5
153.10252	1.5
153.12766	1.8
154.04828	0.7
154.05850	1.3
154.08627	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	4-Methyl-2,6-dihydroxy-benzaldehyde
Peak:m/z	Relative Intensity
53.00338	0.3
53.03947	1.5
54.04710	0.4
55.01878	0.5
55.05516	0.8
57.03432	0.3
57.12966	0.2
57.34436	0.2
60.93980	0.3
62.99081	3.1
65.00642	2.3
65.03942	8.1
67.05509	1.2
68.99763	0.3
69.03416	0.4
69.07072	0.8
69.25801	2.4
70.94269	2.3
70.95867	0.9
71.01357	1.0
71.05003	0.3
71.94101	1.1
71.95228	0.3
74.30360	0.2
77.03926	0.5
79.05060	0.5
79.05497	7.4
81.03428	0.9
81.07059	0.7
82.04207	5.6
83.04992	1.5
83.05413	0.3
88.95290	0.6
88.96895	0.3
89.02390	2.4
91.05524	0.6
92.02615	0.4
93.03406	1.8
93.07057	1.5
95.04981	3.0
95.08608	0.4
97.06531	2.3
98.21487	0.7
105.04510	0.4
107.01666	4.4
107.04967	3.1
107.08598	2.2
109.02905	0.6
109.06512	0.6
109.10146	0.5
110.03671	12.7
111.04470	3.0
111.08097	0.4
111.96856	1.4
112.96732	0.4
120.02089	0.3
121.02845	0.6
122.06859	0.5
125.05995	8.4
126.06379	0.4
129.97914	1.1
135.04419	0.7
136.03926	0.4
138.03127	63.7
139.03474	1.1
143.98300	0.2
148.97406	0.3
153.05473	100.0
153.12730	1.3
154.05908	1.9
154.08627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
50.64194	0.7
53.03951	4.6
55.01874	1.8
55.05513	100.0
56.05853	0.9
57.03438	0.9
57.07071	3.6
59.05003	3.2
65.03954	4.3
67.05508	26.4
69.03432	4.0
69.07061	4.6
70.61233	2.0
72.92437	0.8
74.28961	0.9
77.03967	0.7
79.05490	15.2
80.04976	0.8
81.03397	1.3
81.07059	55.7
82.07412	0.9
83.05010	1.3
83.08624	0.8
85.06534	0.9
91.05479	18.4
92.05852	0.9
93.07055	11.1
95.01344	1.1
95.04970	18.3
95.08614	17.5
95.20114	0.7
96.08143	3.5
97.06538	16.8
105.04519	1.1
105.07040	15.3
106.06541	0.9
107.04974	1.2
107.08595	14.4
108.02105	2.8
108.05785	0.8
109.06519	20.7
109.10157	23.5
110.07298	1.8
110.10540	0.7
119.04952	5.0
121.06523	2.6
121.10145	2.1
123.04419	2.1
123.08094	8.5
123.11708	16.3
124.07625	3.4
133.06505	2.0
133.07523	0.8
133.10143	7.5
136.08891	1.9
141.05457	1.4
151.02835	1.1
151.03914	13.4
151.05052	4.0
151.07576	10.4
151.08629	1.5
151.11189	36.8
152.05699	1.9
152.07033	2.7
152.14418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03941	3.6
55.01874	6.6
55.05511	14.4
57.03429	5.0
57.07057	1.8
59.04998	1.7
59.69656	1.5
65.03928	3.9
67.05511	65.3
69.03433	14.1
69.07076	6.9
69.92396	2.4
69.92816	4.2
71.04987	4.5
79.05496	47.6
81.03416	4.3
81.07059	69.8
83.04988	21.0
91.05486	73.5
93.06474	2.7
93.07047	42.9
95.04980	25.1
95.08611	22.1
97.06560	1.5
105.07035	88.1
107.08601	100.0
108.08913	1.9
109.06519	24.8
109.10161	45.1
119.04929	1.5
119.06064	2.2
121.06523	2.0
123.04449	2.2
123.08066	11.4
123.11726	11.8
131.08583	4.3
133.10133	82.7
148.38968	1.3
151.02818	3.9
151.03976	2.4
151.07558	7.7
151.11189	99.0
152.01591	1.8
152.07097	2.2
152.11562	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	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03939	3.7
55.01861	4.9
55.05517	19.4
55.67605	1.3
57.03446	8.4
57.07063	1.9
65.03930	3.8
65.98255	1.3
67.05507	67.3
69.03429	13.4
69.07054	5.6
69.82682	7.4
69.88811	1.3
71.04983	5.5
77.03936	1.6
79.05495	47.3
81.03404	2.0
81.07061	71.4
83.04983	31.6
85.06535	3.1
91.05486	55.4
93.06476	2.8
93.07046	51.1
93.07635	2.7
95.04976	23.9
95.08604	13.9
97.06532	4.7
98.20785	2.1
105.07036	75.8
107.08600	65.7
109.06524	23.5
109.10165	34.9
111.07917	1.6
121.06526	3.3
123.08105	7.6
123.11693	10.9
131.08562	4.8
133.10135	64.5
151.02890	2.1
151.07585	3.2
151.11185	100.0
152.11566	2.3
159.18228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
52.37422	0.7
53.03951	5.7
55.01881	2.6
55.05516	100.0
56.05859	1.3
57.03448	1.5
57.07074	2.9
59.05006	2.9
65.03941	5.7
67.05509	27.9
68.99791	0.8
69.03425	3.9
69.07069	3.8
71.05006	1.1
79.05499	14.8
81.03432	1.9
81.07063	51.3
83.08630	0.6
91.05491	14.8
93.07050	14.9
95.04976	18.8
95.05566	1.4
95.08614	20.3
95.54523	0.6
96.05787	1.0
96.08139	1.4
97.06541	17.3
98.20724	1.7
103.05457	1.2
105.04488	0.9
105.07040	20.8
107.04949	1.6
107.08601	16.3
107.09300	1.3
108.02105	2.8
108.05764	1.3
109.02919	0.9
109.06531	20.7
109.10164	26.9
110.07311	2.0
110.10515	0.7
111.04478	1.0
119.04938	2.9
121.06532	2.3
121.10145	2.9
122.07281	0.9
123.04408	3.4
123.08066	9.4
123.11715	15.4
124.07611	1.6
125.09667	1.0
131.08557	0.9
133.06505	2.0
133.10141	8.9
134.06030	1.3
136.05219	0.9
136.08833	1.2
141.05479	2.7
151.02896	1.4
151.03909	15.8
151.05061	6.5
151.06372	1.3
151.07570	12.9
151.08623	1.4
151.11194	30.8
151.14815	0.9
152.01605	0.7
152.07040	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
52.88676	0.7
53.03947	6.3
55.01875	2.5
55.05513	100.0
56.05863	0.7
57.03455	1.2
57.07088	3.9
59.04997	3.0
65.03954	4.2
67.05507	33.5
69.03434	2.6
69.07081	4.8
71.04992	1.3
71.55067	0.9
71.55427	0.8
79.05499	12.5
81.03445	1.6
81.07061	50.1
83.04969	1.0
83.08596	1.4
83.84565	0.8
91.05487	14.7
92.05811	0.9
93.07040	13.0
95.04969	16.3
95.08609	27.7
96.08123	0.9
97.06530	14.6
105.03397	0.7
105.07035	16.5
106.06488	0.8
107.04961	1.6
107.08600	15.0
108.02100	4.8
108.05743	1.5
108.09418	0.9
109.06525	21.4
109.10160	28.8
110.07313	1.0
119.04921	3.2
121.06516	2.2
121.10195	1.7
122.07372	0.9
123.04429	2.9
123.08057	9.2
123.11713	14.9
124.07633	1.0
131.08578	0.8
133.06490	1.8
133.10123	8.6
134.05997	0.8
136.05214	1.3
136.07144	1.0
141.05461	2.7
151.02849	1.1
151.03891	17.1
151.05042	5.7
151.07570	10.0
151.11182	31.8
151.14775	2.1
152.05635	0.8
152.07042	2.1
162.78639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88676	0.7
53.03947	6.3
55.01875	2.5
55.05513	100.0
56.05863	0.7
57.03455	1.2
57.07088	3.9
59.04997	3.0
65.03954	4.2
67.05507	33.5
69.03434	2.6
69.07081	4.8
71.04992	1.3
71.55067	0.9
71.55427	0.8
79.05499	12.5
81.03445	1.6
81.07061	50.1
83.04969	1.0
83.08596	1.4
83.84565	0.8
91.05487	14.7
92.05811	0.9
93.07040	13.0
95.04969	16.3
95.08609	27.7
96.08123	0.9
97.06530	14.6
105.03397	0.7
105.07035	16.5
106.06488	0.8
107.04961	1.6
107.08600	15.0
108.02100	4.8
108.05743	1.5
108.09418	0.9
109.06525	21.4
109.10160	28.8
110.07313	1.0
119.04921	3.2
121.06516	2.2
121.10195	1.7
122.07372	0.9
123.04429	2.9
123.08057	9.2
123.11713	14.9
124.07633	1.0
131.08578	0.8
133.06490	1.8
133.10123	8.6
134.05997	0.8
136.05214	1.3
136.07144	1.0
141.05461	2.7
151.02849	1.1
151.03891	17.1
151.05042	5.7
151.07570	10.0
151.11182	31.8
151.14775	2.1
152.05635	0.8
152.07042	2.1
162.78639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0915
Annotation	D-Cathinone
Peak:m/z	Relative Intensity
56.05055	0.9
57.05818	3.6
60.78518	0.6
71.18761	1.1
79.05490	0.9
81.07070	2.1
82.88081	0.6
85.51374	0.8
91.05489	54.1
92.05832	1.3
93.07039	2.4
93.16608	0.6
94.04131	1.6
94.06565	1.5
95.04982	1.9
103.05488	2.0
103.93939	0.7
105.07013	1.1
107.04970	16.0
108.05724	2.5
109.05116	2.0
109.06528	10.2
112.52386	0.6
117.05775	5.4
118.04206	0.7
118.06549	2.5
119.04956	24.8
120.04459	1.9
121.06512	14.5
122.06034	1.2
122.09668	1.1
132.08142	3.5
133.05113	2.7
133.08952	0.6
134.06020	4.4
135.06808	58.4
136.07146	0.9
149.08420	0.9
150.05701	1.7
150.07782	36.8
150.09157	100.0
151.08171	0.9
151.09508	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	150.0915
Annotation	D-Cathinone
Peak:m/z	Relative Intensity
53.03947	0.8
53.22873	0.6
55.01859	1.2
55.40237	0.6
56.05028	2.4
57.03442	4.6
57.05809	2.4
66.52985	0.8
69.03427	1.8
70.49638	1.4
70.50011	1.0
71.04989	1.1
73.02924	1.8
78.52916	1.3
79.05533	0.8
79.51923	1.4
81.03419	6.1
81.07070	1.1
82.01447	3.7
84.04510	1.1
84.52947	0.9
85.02911	1.8
85.51924	0.7
85.53731	1.4
86.03691	1.4
87.04482	1.3
88.02663	1.2
90.52946	2.1
91.05486	47.0
92.05836	1.1
93.07042	2.0
93.53474	1.4
94.04073	1.5
94.06584	1.4
95.03484	0.8
95.52167	0.8
99.53468	2.3
100.00097	1.6
100.02487	7.8
100.05244	1.1
101.00870	2.4
103.05456	1.2
104.52676	1.1
105.07034	0.9
106.06550	1.2
107.04944	10.6
108.05756	1.5
108.08161	0.7
109.02892	2.1
109.05124	2.9
109.06530	9.1
111.89046	0.7
113.00839	1.5
113.53223	3.5
115.02457	1.2
117.05785	4.6
118.01118	2.2
118.03515	2.0
118.06569	1.6
119.01914	2.4
119.04950	20.1
120.04483	0.7
120.54001	0.8
121.06520	13.3
122.53732	1.7
129.54591	0.9
131.01892	3.0
132.08107	4.2
133.03462	1.4
133.05119	3.6
134.06003	2.8
135.06808	47.8
136.07156	1.1
141.02716	4.5
142.03517	1.8
143.03740	0.7
145.03448	1.8
150.05684	1.7
150.07758	95.2
150.09140	100.0
151.08133	1.5
151.09470	2.1
154.03485	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0776
Annotation	9-Methyladenine
Peak:m/z	Relative Intensity
53.03946	0.6
55.01881	0.3
56.05047	0.5
56.96560	1.5
57.03442	0.5
57.04560	0.3
57.05808	0.7
58.06578	0.4
59.07377	0.4
65.03944	1.0
67.05505	2.4
68.99786	0.4
70.18412	1.0
70.98133	0.4
79.05506	0.5
80.05006	0.5
81.03419	0.6
81.07078	0.5
82.01466	0.3
82.04051	0.7
84.04526	0.3
86.03670	0.2
91.05483	13.6
92.02511	0.3
93.07048	0.7
94.04072	1.1
94.06019	0.5
94.06576	6.4
95.04971	0.8
96.04523	0.6
98.97599	0.4
100.02471	0.7
101.00843	0.6
103.05459	0.6
104.56017	4.2
105.07041	0.7
106.06562	1.9
107.04960	3.0
108.04468	1.3
108.05664	0.9
109.01357	0.3
109.02948	0.2
109.05128	3.3
109.06516	2.9
117.05769	1.1
118.01113	0.5
118.04197	0.4
118.06550	0.5
118.55783	0.5
119.01904	0.4
119.03550	0.7
119.04942	5.9
120.04503	0.4
121.06511	3.8
122.03267	0.3
122.06039	3.5
122.09657	0.4
123.06667	1.3
123.07967	0.8
127.01543	0.7
127.07071	3.6
129.01797	0.4
132.08116	0.9
133.05103	5.5
133.06221	0.3
133.06554	0.3
134.06027	0.9
135.06801	14.1
141.02762	0.5
145.03476	0.3
150.02841	1.4
150.05542	8.5
150.07764	100.0
150.09128	29.1
151.03897	0.4
151.08061	0.8
151.09386	0.3
168.06546	0.9
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
52.89808	0.2
53.03945	1.6
53.24574	0.2
53.69309	0.2
55.01867	0.4
55.02990	0.3
55.05502	0.4
56.05038	0.6
56.96577	1.5
57.05812	0.7
58.06597	0.5
58.46228	0.2
59.07400	0.4
60.87885	0.2
65.03944	3.1
66.04271	0.8
67.05508	12.0
69.03436	0.5
69.89562	1.1
70.06561	0.3
72.93796	1.4
79.05497	2.2
80.05016	1.9
80.05820	0.4
81.03424	1.0
81.07059	0.7
81.32981	0.2
82.04079	0.5
84.04477	0.6
85.02925	0.2
88.28551	0.2
90.94836	0.8
91.05486	12.5
92.05820	0.3
93.05790	0.7
93.07050	0.8
94.04103	0.8
94.06570	30.7
95.04977	1.7
95.06896	0.3
96.04501	1.2
96.05647	0.5
103.05478	0.5
104.56030	0.9
105.04510	0.3
105.07053	0.7
106.04064	0.3
106.06560	9.1
107.04951	2.7
107.08582	0.2
108.04473	3.2
108.05659	0.6
108.08119	0.5
109.02908	0.4
109.05141	2.9
109.06504	2.0
112.07627	0.8
113.07956	0.5
117.05776	0.7
118.06553	0.6
119.01928	0.3
119.03599	0.4
119.04948	5.8
119.07352	0.6
121.02871	0.3
121.06511	2.5
122.03221	2.1
122.06039	16.7
122.09627	0.6
123.06688	1.6
123.07937	1.5
124.03973	0.5
126.59447	0.3
127.07085	0.6
128.97375	0.2
130.08620	0.3
132.08115	0.9
133.05098	6.3
134.06064	0.8
135.05365	0.6
135.05580	0.5
135.06805	10.5
148.04021	0.5
149.02353	0.3
149.97232	0.3
150.02771	6.7
150.05544	42.3
150.07784	100.0
150.09137	21.0
150.12636	1.2
151.03908	0.5
151.05894	0.8
151.07634	1.1
152.07111	0.4
156.03316	0.4
168.06575	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03939	2.9
55.01866	2.2
55.05520	4.3
65.03944	48.7
67.05508	9.3
69.07075	5.9
74.52264	0.8
79.05499	21.4
81.07059	23.7
83.08624	2.0
89.03918	2.1
91.05482	9.4
91.60403	0.8
93.03403	11.7
93.07044	29.2
93.69592	0.8
95.04966	3.3
95.08620	4.6
98.03667	1.9
103.05480	1.1
105.07040	4.0
107.04904	1.8
107.07871	1.2
107.08598	21.4
108.04508	0.9
109.06512	0.8
111.04449	8.3
119.08618	1.2
121.02872	53.4
121.03973	16.0
121.06499	2.6
121.10154	7.2
122.03185	1.3
122.04379	0.7
123.08067	0.8
131.08577	1.1
147.11736	1.1
149.02351	100.0
149.05989	1.9
149.09625	7.4
149.13271	14.5
150.02678	3.0
150.04604	0.7
167.03450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01860	2.3
55.05521	4.6
62.02406	0.9
65.03944	49.7
66.04266	1.0
66.82716	0.8
67.05506	7.9
69.03453	0.8
69.07065	8.2
69.75533	1.8
69.75948	3.7
77.03950	0.8
79.05061	1.8
79.05496	20.2
80.02608	1.3
81.06581	1.4
81.07061	26.1
83.08612	1.0
89.03922	0.9
91.05492	13.9
93.03403	11.1
93.06471	1.8
93.07048	33.6
93.07632	2.1
94.07387	1.0
95.04977	2.6
95.08605	6.3
98.03670	2.9
103.05511	1.4
105.07039	5.6
107.04964	11.5
107.07877	1.3
107.08599	23.8
109.06488	1.4
111.04472	8.1
119.08575	1.3
120.05739	1.0
121.02871	54.4
121.03977	15.3
121.06509	3.4
121.10133	8.2
122.03252	1.1
131.04865	0.8
131.08559	1.0
149.02351	100.0
149.05928	1.9
149.09636	9.6
149.13257	16.2
150.02676	2.8
150.05530	0.9
156.32333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03941	3.4
55.01867	2.0
55.05521	5.2
65.03944	46.3
66.04298	1.0
67.05511	12.8
69.07074	7.2
69.38046	6.9
70.99765	0.7
71.08574	0.8
75.55272	0.7
79.05499	31.4
80.02616	1.3
81.03416	2.3
81.06580	1.8
81.07061	34.7
83.08620	1.1
91.05486	17.1
93.02879	1.3
93.03410	11.6
93.07047	39.0
95.05009	4.0
95.08601	6.5
98.03663	2.9
103.05498	1.7
105.07052	6.5
106.07756	1.0
107.04295	1.4
107.04967	21.6
107.08601	27.0
109.06516	1.6
111.04440	7.1
119.04922	1.3
119.08573	1.3
120.05738	4.4
121.02868	55.4
121.03973	13.5
121.06519	3.6
121.10149	9.5
121.28753	0.8
122.03181	1.8
139.35117	0.8
149.02350	100.0
149.05957	2.5
149.08463	0.7
149.09639	12.8
149.10759	1.5
149.13269	19.4
150.02708	3.5
150.13651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03943	2.5
55.01873	3.2
55.05508	5.0
57.07036	1.1
65.03947	54.1
67.05512	15.1
69.07063	10.0
69.38716	1.8
69.39122	7.5
79.05496	25.9
79.05961	1.3
81.07064	38.5
83.08639	2.5
91.05480	14.9
93.03408	9.9
93.07050	43.7
94.06582	1.2
95.04972	4.0
95.08605	7.4
98.03666	3.3
98.21526	2.1
103.05438	1.3
105.07026	4.7
107.04964	6.5
107.08599	30.4
108.04532	1.2
109.06531	1.6
111.04436	9.2
120.05691	1.1
121.02871	59.8
121.03976	15.7
121.06507	2.4
121.10161	11.1
122.03230	1.7
131.08673	1.1
149.02354	100.0
149.09621	8.8
149.10753	2.2
149.13263	19.6
150.02718	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84382	1.0
53.03940	2.3
55.01855	2.3
55.05518	6.7
64.65070	0.9
65.03945	50.7
67.05508	12.6
69.07074	8.7
71.36000	1.0
71.36382	1.2
77.03931	1.5
79.05497	27.7
81.03438	1.6
81.07060	36.2
83.08625	1.2
90.41992	1.0
91.05493	12.6
93.03409	9.7
93.07049	40.1
93.07637	2.3
95.04964	2.8
95.08607	6.2
98.03672	1.2
105.07038	3.9
107.04965	12.3
107.08600	28.9
109.06549	1.6
111.04437	8.3
119.04931	1.2
119.06035	1.0
120.05703	2.2
121.02870	53.6
121.03973	14.2
121.06504	2.2
121.10143	8.7
124.45845	1.0
147.67976	1.0
149.02353	100.0
149.09642	12.0
149.13254	18.7
150.02695	2.5
167.03366	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.02373	1.4
52.10126	1.3
53.03941	4.3
55.01870	1.7
55.05514	4.4
65.03935	17.2
67.05514	1.8
69.07061	3.0
70.52267	3.9
70.52641	1.8
72.30539	1.2
79.05495	25.4
81.07063	3.8
89.03913	1.5
91.05488	31.3
93.03413	4.2
93.07047	47.8
95.04955	5.0
103.05482	5.3
105.04516	2.0
105.07042	28.9
105.07738	1.3
106.07822	3.5
107.04961	22.6
107.08610	16.2
111.04446	1.5
115.05462	1.6
116.06229	5.0
119.08610	7.0
121.02870	22.5
121.03970	4.9
121.06498	3.1
121.10150	31.6
122.09632	1.2
123.08056	4.6
129.07027	3.0
131.08594	5.3
133.07596	2.1
149.02353	34.2
149.09630	100.0
149.13274	4.2
150.10037	2.3
150.12793	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	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.49613	1.5
53.03939	6.9
55.01871	4.4
55.05492	4.6
65.03607	2.8
65.03942	50.4
67.05493	4.4
68.99776	1.9
69.03079	3.0
69.03432	43.3
69.19427	3.8
69.19843	12.3
79.05495	18.2
81.07063	3.9
83.04977	2.4
91.05482	39.5
93.03416	18.5
93.07046	24.4
95.04963	5.2
98.03718	1.7
103.05475	11.2
105.07036	19.5
106.07844	2.5
107.04973	3.1
107.08572	3.3
109.06506	6.6
110.40746	1.8
111.04434	7.8
115.05468	2.3
116.06242	3.6
116.98535	1.5
118.61942	1.5
119.04969	3.9
119.08578	2.6
121.02871	46.6
121.03983	13.7
121.05620	2.1
121.06493	15.3
121.10112	8.8
131.04959	4.2
131.08566	4.3
134.07295	5.0
135.06734	1.8
137.88548	1.5
149.02350	100.0
149.06007	5.1
149.09625	83.7
150.02679	2.6
150.10037	1.9
150.17607	1.8
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
52.72779	1.4
53.03932	6.7
55.01861	2.8
55.05498	5.0
55.87710	1.4
65.03944	41.1
67.05489	3.2
69.03084	3.1
69.03434	50.1
69.64466	8.5
73.21822	1.4
77.03947	2.5
78.04727	1.8
79.05501	22.7
81.07050	3.4
83.03909	1.4
83.04986	1.7
84.53806	1.4
86.63151	1.5
89.36467	1.4
91.05486	45.2
93.03418	12.5
93.07050	28.8
95.04957	8.7
95.79634	1.6
98.21478	2.9
103.05463	9.4
105.04501	2.4
105.07032	17.3
106.07819	4.2
107.04893	3.0
107.08603	4.4
108.05750	1.9
109.06512	6.6
111.04440	5.6
115.05428	2.3
116.06236	5.5
119.04953	5.1
119.08562	2.5
121.02869	44.7
121.03978	9.7
121.06506	15.5
121.10139	6.1
122.03186	1.9
123.08055	2.1
129.06902	2.1
131.04895	1.7
131.08574	2.8
133.06523	3.2
134.07278	6.5
149.02353	72.1
149.06094	3.3
149.09625	100.0
150.09990	2.4
155.16649	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.1122
Annotation	Actinidine
Peak:m/z	Relative Intensity
53.03935	0.4
55.01873	0.5
56.05031	0.8
56.96556	0.3
59.15912	0.3
65.03607	0.3
65.03944	6.4
66.70933	0.2
67.56772	0.2
70.70784	0.5
73.51245	0.2
77.03918	0.3
79.05505	1.4
84.04509	9.4
85.02905	0.3
85.04831	0.3
88.03986	0.3
91.05489	1.5
92.05015	0.5
92.05819	2.1
93.03407	1.7
93.07057	1.2
95.04980	0.4
95.06859	0.3
98.03658	0.3
100.07626	0.2
102.05544	1.4
103.05453	2.6
104.05003	0.2
105.04488	0.3
105.05740	0.3
105.07059	0.3
106.06561	0.9
107.04955	3.1
110.06068	0.3
110.54131	0.2
111.04448	1.1
114.96394	0.2
118.06551	4.5
119.04942	0.3
119.07330	0.7
120.04488	0.5
120.05280	2.0
120.08109	3.6
121.02867	7.8
121.03973	2.3
121.06477	0.9
130.03973	0.2
130.05019	0.6
131.04880	0.2
132.08098	6.0
133.05241	3.2
133.08876	17.9
134.09248	0.4
146.09619	0.3
148.03812	1.4
148.04865	0.7
148.07590	6.2
148.11212	100.0
149.02347	12.5
149.03267	0.3
149.05995	0.4
149.11578	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	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
50.45181	0.6
53.02077	0.7
53.03947	2.1
55.05511	5.8
65.03949	8.5
67.05515	1.7
69.07072	1.7
69.95266	2.7
73.05740	0.6
79.05502	5.8
83.06924	1.7
84.04517	4.9
91.05489	100.0
92.05803	2.4
93.07056	2.3
95.04974	1.8
101.07951	2.9
103.05479	3.0
104.06248	1.1
105.07041	42.9
106.07395	0.8
107.04969	0.8
107.08594	6.7
113.80488	0.6
115.05440	1.5
116.06232	2.2
117.07036	12.2
118.59240	0.7
118.97546	0.9
119.04954	69.7
119.08591	71.2
120.05294	1.9
120.08944	2.9
123.96470	1.1
129.06993	1.3
130.07816	1.1
131.08569	2.3
132.05713	1.1
132.09361	5.5
145.10135	9.1
147.04427	29.1
147.08092	2.9
147.11700	34.5
148.07553	0.9
148.11171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03943	1.2
55.05517	6.0
61.03811	0.6
63.72316	0.7
65.03943	9.8
67.05508	2.5
69.07066	3.1
70.46631	1.5
70.47021	1.5
74.72031	0.7
79.05492	5.7
81.07035	0.7
83.06906	0.7
84.04502	4.9
91.05483	100.0
92.05817	1.2
93.07050	2.7
95.04993	1.3
101.07969	2.2
103.05466	2.4
105.07034	44.7
107.04965	0.8
107.08599	7.7
115.05470	2.2
116.06242	1.5
117.07022	11.2
118.26498	0.7
119.04948	68.0
119.08585	78.9
120.05280	2.2
120.08936	2.5
129.07021	1.6
130.04979	1.3
130.07819	1.0
131.08569	1.7
132.09370	4.6
145.10132	7.2
147.04424	27.9
147.08070	4.4
147.11694	34.9
148.04759	1.3
148.12041	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0767
Annotation	L-Glutamine
Peak:m/z	Relative Intensity
50.03400	0.5
51.00542	0.5
51.21400	0.5
56.05044	4.1
56.96580	0.6
67.43285	0.6
69.65002	0.6
70.94852	1.2
72.08160	0.7
82.06590	5.3
83.06339	1.0
83.06918	18.4
84.04510	100.0
84.08144	10.2
85.02916	1.9
85.04829	0.6
90.62778	0.5
100.07629	10.5
101.07301	3.6
101.07951	44.4
102.05560	4.3
102.06140	0.7
124.89113	0.5
130.05014	26.7
130.08664	1.0
147.08488	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	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.7
53.03946	1.8
55.05513	5.3
56.05085	0.7
60.76492	0.6
61.51113	0.6
65.03949	9.7
67.05517	1.5
69.07074	2.4
71.39369	1.2
79.05502	4.2
81.07046	1.3
84.04502	6.3
85.99581	0.7
91.05489	100.0
92.05827	2.7
93.07061	2.7
95.01263	0.7
95.04970	0.9
101.07970	1.4
103.05471	3.3
104.06283	1.2
105.07043	41.7
107.04964	0.9
107.08599	7.3
115.05474	1.6
116.06285	1.3
117.07033	11.4
119.04956	71.0
119.08591	76.3
120.05294	2.0
120.08933	1.3
129.06998	0.7
130.04996	1.5
130.07797	1.4
131.08617	1.1
132.05701	0.9
132.09354	4.6
145.10135	6.3
147.04430	29.5
147.08064	4.4
147.11707	32.7
148.04791	1.4
148.12106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68800	0.5
55.05499	1.0
65.03944	10.7
70.90532	0.8
70.90868	1.2
79.05489	1.2
84.04503	1.3
86.30878	0.5
91.05486	100.0
92.05807	2.0
96.41370	0.5
105.07031	7.7
115.08065	0.6
117.07017	1.6
117.16570	0.6
119.04950	94.2
119.08577	9.5
120.05289	2.1
123.23218	0.6
132.09299	0.6
145.10147	1.0
147.04422	32.8
147.11688	5.1
148.04762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05503	2.3
59.08877	0.7
60.88237	0.7
65.03949	11.0
69.07077	1.9
71.09998	1.6
79.05495	2.7
81.07027	0.7
83.06873	1.3
84.04510	8.2
91.05486	100.0
92.05842	2.0
101.07965	1.4
103.05486	2.2
104.06310	0.8
105.07039	20.7
106.07378	1.2
106.72433	0.7
107.06094	0.7
107.08604	2.4
117.07024	4.4
119.04950	86.9
119.08587	32.5
120.05272	2.1
129.06995	0.8
130.05000	1.7
132.09341	1.8
145.10150	3.2
147.03230	1.8
147.04416	37.0
147.08089	1.3
147.11685	17.3
148.07594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03400	0.5
51.00542	0.5
51.21400	0.5
56.05044	4.1
56.96580	0.6
67.43285	0.6
69.65002	0.6
70.94852	1.2
72.08160	0.7
82.06590	5.3
83.06339	1.0
83.06918	18.4
84.04510	100.0
84.08144	10.2
85.02916	1.9
85.04829	0.6
90.62778	0.5
100.07629	10.5
101.07301	3.6
101.07951	44.4
102.05560	4.3
102.06140	0.7
124.89113	0.5
130.05014	26.7
130.08664	1.0
147.08488	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	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.02392	0.2
53.03947	0.4
56.96569	1.1
57.03435	0.2
60.05640	0.2
60.97430	0.1
61.02933	0.2
63.02382	0.1
64.52618	0.1
65.03943	6.6
65.10809	0.1
69.03469	0.2
70.06600	1.2
71.05009	0.4
71.53619	0.1
72.08166	0.2
72.47066	0.1
75.02407	0.1
77.03931	0.2
83.06939	0.5
84.04500	1.2
84.08150	2.4
85.08490	0.3
87.04468	0.2
87.06394	0.2
88.03994	0.1
88.04829	0.2
88.07597	0.2
91.05485	55.1
92.05820	0.9
95.04979	0.8
98.97643	0.2
100.07592	0.2
101.07959	0.9
103.02417	0.1
103.05478	8.7
103.97929	0.1
104.05811	0.2
105.04539	0.2
107.04977	1.5
108.05328	0.2
119.04949	100.0
120.05270	2.1
120.06077	0.2
130.05029	0.3
130.08618	0.4
130.09738	0.5
147.04411	18.0
147.08337	0.3
148.04871	0.5
148.07567	0.2
149.04745	0.3
150.09102	0.2
164.02466	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	146.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.7
65.03934	2.0
70.81870	1.2
71.04989	0.7
72.05319	0.8
72.08162	4.1
82.06589	19.2
83.19082	0.5
84.04488	0.8
84.08114	0.5
86.06037	0.6
87.17385	0.5
91.05486	35.8
100.04804	1.7
100.07622	37.5
100.82671	0.4
101.08004	0.7
112.11271	0.9
117.05761	5.9
118.06550	100.0
119.04951	12.7
119.06867	2.0
128.04974	6.4
128.07079	1.6
129.04506	0.6
133.51831	0.4
146.06030	24.7
146.08093	9.2
147.04431	4.7
147.06322	0.7
161.67677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
56.61681	0.3
65.27036	0.3
67.04245	0.7
67.71614	0.3
70.98534	0.3
71.32212	0.4
72.08152	1.2
82.06585	40.7
83.06924	0.7
84.04500	0.7
93.14287	0.3
100.07623	100.0
101.07950	1.2
107.99070	0.3
128.07092	1.9
146.08133	23.6
156.46906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0813
Annotation	2-Amino-5-oxohexanoate
Peak:m/z	Relative Intensity
55.05503	1.2
67.04224	0.4
69.03429	0.6
69.69849	2.5
72.08147	1.3
74.02430	0.4
80.05023	0.5
82.06582	44.9
84.04509	3.3
84.08148	0.9
86.06069	1.1
87.04456	1.8
91.05483	0.9
100.07621	100.0
101.07963	1.6
115.74944	0.4
116.47879	0.5
119.04951	1.1
128.07077	2.5
130.05011	1.1
146.08131	22.3
146.09161	0.8
147.08437	0.5
161.79420	0.4
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	3-Methyleneoxindole
Peak:m/z	Relative Intensity
55.05487	0.7
65.03934	2.0
70.81870	1.2
71.04989	0.7
72.05319	0.8
72.08162	4.1
82.06589	19.2
83.19082	0.5
84.04488	0.8
84.08114	0.5
86.06037	0.6
87.17385	0.5
91.05486	35.8
100.04804	1.7
100.07622	37.5
100.82671	0.4
101.08004	0.7
112.11271	0.9
117.05761	5.9
118.06550	100.0
119.04951	12.7
119.06867	2.0
128.04974	6.4
128.07079	1.6
129.04506	0.6
133.51831	0.4
146.06030	24.7
146.08093	9.2
147.04431	4.7
147.06322	0.7
161.67677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01878	1.2
55.05511	1.7
56.05022	0.7
56.96561	2.0
57.03441	1.8
57.04563	9.5
58.06605	11.2
59.04994	0.8
59.07387	10.2
60.05685	0.7
60.08170	2.5
68.05035	0.6
69.03430	1.6
70.06588	1.0
70.65096	0.7
70.65425	1.5
71.05010	4.2
71.06922	0.7
72.08160	100.0
73.08491	1.3
74.07208	25.3
74.07627	1.4
80.25909	0.6
81.03425	1.7
82.06589	8.5
84.08171	3.9
85.02895	1.5
85.08497	2.0
86.06086	2.2
86.09710	1.1
87.04483	1.7
89.10786	1.0
97.02905	1.1
97.07645	3.0
99.04462	10.2
100.07625	17.6
101.00877	0.8
103.00655	4.7
103.01250	0.9
112.11289	0.9
113.05483	0.9
114.10323	2.3
117.07006	0.7
119.01952	2.0
121.01681	17.1
121.45039	0.6
121.61540	13.1
121.96681	0.7
122.11736	1.6
127.03960	1.5
128.07135	0.7
128.11855	4.9
129.86421	0.6
129.94060	0.6
139.02728	5.0
144.61794	6.0
145.05121	0.9
145.10591	0.8
145.11955	0.8
145.14464	5.0
146.08124	4.3
146.09117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.8
55.01879	4.8
55.05511	1.1
56.62933	0.9
57.03428	4.0
57.56615	0.9
59.04989	1.1
62.92995	6.4
67.05494	4.2
69.03429	3.0
69.48317	1.5
69.48675	8.0
69.82669	0.9
71.01361	1.2
71.04647	1.5
71.05001	19.8
72.08151	2.6
72.48064	0.9
79.05505	2.9
81.03432	6.6
82.06591	16.8
85.02917	6.2
87.70183	1.0
91.05492	25.4
97.02877	1.4
99.04464	52.6
99.06433	1.2
100.07623	31.7
101.02402	2.3
103.05472	5.0
105.07036	64.0
106.07366	1.0
115.05463	13.8
116.06253	6.2
117.07026	48.0
118.06535	1.7
121.96652	10.5
123.22090	1.0
127.03934	8.9
128.06227	7.1
128.07016	1.2
129.07013	13.4
130.07797	46.7
143.08551	10.1
145.05016	2.7
145.06467	3.8
145.10132	100.0
146.06044	1.7
146.08136	7.4
146.10472	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.8
55.01866	2.0
57.03431	3.1
57.03682	0.8
57.99969	0.8
62.93002	5.6
67.05515	5.2
69.03425	3.0
69.55687	0.8
70.14104	4.0
71.01352	1.8
71.05002	13.1
72.08138	1.6
79.05487	3.0
81.03410	3.1
82.06113	1.7
82.06583	19.0
85.02920	6.3
86.06075	0.9
87.04456	0.8
91.05485	22.8
97.02879	2.1
99.04459	28.6
99.06377	1.3
100.07622	46.5
103.05459	4.0
105.07037	68.8
106.07364	1.7
109.21448	0.8
113.81663	0.9
115.04681	1.3
115.05461	15.9
116.06244	4.9
117.07024	51.0
118.06503	0.8
118.07322	1.0
121.96641	5.9
127.03937	3.9
128.06230	8.4
128.07094	1.4
129.07019	12.5
130.07799	45.0
131.08133	0.8
139.47968	0.8
143.08565	9.4
145.05003	1.4
145.06517	2.2
145.10129	100.0
145.50229	0.9
146.08105	10.6
146.10492	3.0
158.29051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
53.68913	0.4
55.05511	0.4
56.96568	1.2
57.03427	0.4
57.04570	0.9
58.06607	1.9
59.07385	1.3
60.08160	0.8
67.05512	0.6
70.06598	15.1
70.15427	1.0
71.04983	1.0
72.08169	2.8
74.07207	0.8
75.01019	0.4
76.01441	0.3
79.59642	0.4
82.06577	0.9
84.08149	29.8
85.06553	1.3
85.08480	0.4
86.21867	0.3
93.95205	0.3
98.06063	1.1
98.09699	100.0
98.97587	1.0
99.10028	1.7
102.00999	0.7
102.96867	0.6
103.00603	0.3
119.01884	0.7
120.02004	2.2
120.97976	0.4
121.01685	1.2
121.61523	2.6
138.03117	0.6
139.02689	0.4
144.04857	0.8
144.10207	26.7
144.13840	0.6
144.61790	1.5
145.10529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0864
Annotation	Arecaidine
Peak:m/z	Relative Intensity
50.24743	0.8
55.01870	0.9
56.05029	1.6
59.82507	0.6
67.05507	0.7
69.03413	1.7
69.90627	1.1
69.91024	1.5
70.06586	1.8
70.26688	0.6
71.04998	39.7
72.04156	0.8
72.04521	12.5
79.05064	1.1
79.05498	16.0
82.02944	3.1
93.76717	0.7
94.06570	1.6
95.04984	0.9
96.08137	4.0
97.02886	0.9
106.06562	49.3
107.06905	1.3
124.07597	100.0
125.07956	2.0
142.08643	15.5
143.03397	6.0
151.00948	0.5
154.97682	0.7
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
53.90910	5.5
69.85902	32.4
79.05497	26.6
81.04529	12.0
83.04982	8.0
97.06551	12.0
101.00896	26.3
119.01934	100.0
125.02668	6.3
125.06050	10.8
137.02985	23.7
142.03517	17.4
142.08632	12.4
143.03387	10.5
145.89189	6.0
154.99861	5.6
157.89543	6.1
160.04521	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	142.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.1
55.05513	0.7
56.05029	2.3
59.93085	0.7
67.05513	0.9
68.05040	0.9
69.03435	3.4
69.07077	0.8
70.06580	2.0
70.72119	2.1
71.04997	38.0
72.04518	14.0
72.08139	0.6
79.05066	1.0
79.05501	18.0
80.05040	1.3
80.05867	0.7
82.02931	3.6
82.06583	1.4
94.06568	1.6
95.04981	1.0
96.04499	1.4
96.08144	5.1
97.02851	1.2
97.06585	0.8
98.06061	0.8
100.89451	0.8
106.06562	45.6
107.06886	0.7
114.09133	1.4
118.96801	1.1
119.01926	1.5
124.07600	100.0
125.02349	1.4
125.07944	2.2
142.05058	0.7
142.08638	16.7
142.09744	1.0
143.03406	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12647	3.1
55.01868	3.9
56.96541	2.9
67.91566	3.2
68.05030	2.9
69.97282	6.8
69.97675	8.6
70.06583	11.2
79.05491	10.0
81.04527	12.2
83.06057	2.9
84.08134	3.1
95.06073	5.6
96.08138	8.3
99.33606	3.1
100.02534	3.7
101.00890	25.8
118.03526	4.9
119.01927	100.0
120.02129	3.4
124.08719	6.7
125.06003	3.3
125.07116	7.3
137.02969	23.0
137.03860	3.9
142.03522	18.2
142.08673	7.3
142.12256	4.6
143.03300	3.6
160.04591	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	24.8
57.37113	0.5
60.54070	0.6
66.86113	0.7
70.42558	1.1
70.42917	1.5
71.95259	6.2
84.36699	0.6
94.06548	1.3
98.97590	100.0
116.98624	59.2
133.97575	0.5
134.99663	21.0
135.00659	1.3
140.00212	1.3
140.03433	0.6
142.01100	0.5
148.90031	0.5
153.00748	2.5
158.01233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0546
Annotation	(-)-Sarcomycin
Peak:m/z	Relative Intensity
52.99269	1.1
53.00302	1.4
53.03961	1.2
55.01877	1.3
55.05503	1.6
57.03433	2.7
57.07068	1.7
57.55865	1.1
64.96786	1.0
65.03942	11.7
67.05508	100.0
67.93558	2.1
68.05839	2.4
69.07032	1.2
69.35125	6.4
69.35536	3.8
70.06584	3.4
71.05001	3.0
73.60349	1.0
81.03440	2.7
81.07065	2.9
85.02888	1.3
85.06546	13.3
95.04973	39.7
95.08597	3.9
97.06540	2.3
109.02866	1.1
113.02377	7.4
113.06013	14.7
114.09171	2.3
115.05460	5.7
118.96779	1.3
123.04447	1.5
141.01805	6.5
141.05478	22.7
141.06976	8.7
142.06625	1.5
142.08702	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96643	10.4
85.79444	4.0
101.00888	33.2
111.73243	4.0
119.01141	7.9
119.01938	100.0
134.30931	4.4
137.02965	27.6
142.03505	20.0
147.83459	4.6
160.04494	5.9
162.63870	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.02377	0.2
53.03946	0.4
60.34221	0.2
65.03938	1.2
67.05500	1.0
71.55364	0.3
77.67502	0.2
78.03461	0.9
79.61209	0.2
87.61783	0.2
92.05015	5.5
93.05803	0.9
94.06573	18.1
95.06901	0.2
96.04498	2.7
110.06052	12.8
136.03952	0.3
138.05510	100.0
138.46158	0.2
139.05855	2.2
154.05000	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.03954	0.7
55.01883	1.3
55.05523	2.3
56.05035	0.5
56.96565	1.8
57.93575	1.6
65.03947	56.3
66.04280	1.3
66.62969	0.3
67.05510	2.4
68.05824	0.4
68.99793	0.4
69.03437	2.6
69.07072	1.8
70.06614	0.6
70.65018	0.6
70.65360	0.8
72.08156	1.7
79.05495	1.0
80.05021	0.8
81.03400	0.4
81.07057	0.7
83.04991	1.9
83.06097	0.5
84.08154	0.6
91.05513	0.6
93.03413	26.8
93.07051	2.2
94.03723	0.7
94.06581	1.8
95.04972	3.0
95.06924	1.3
95.08598	1.1
97.02899	0.7
97.06543	1.3
98.97594	3.8
98.98470	3.7
105.07014	0.4
110.06113	0.4
111.04450	100.0
112.04054	0.6
112.04742	1.8
112.07609	2.3
113.06042	0.5
116.97242	2.7
116.98617	3.3
121.02874	6.2
121.03922	0.7
121.06499	0.9
121.10158	0.5
122.06073	0.8
122.09671	1.0
125.02393	0.4
134.06020	0.8
134.99672	1.7
139.03938	7.8
139.04945	0.7
139.05840	7.3
139.07484	1.7
139.09627	0.6
139.11191	1.2
139.12321	1.6
140.03467	0.9
140.07059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03947	3.9
55.01883	2.2
55.05530	2.8
65.03957	2.7
66.04733	4.6
67.05508	31.6
69.03444	2.1
69.07082	2.5
70.13514	2.8
77.03957	1.2
79.05499	10.6
79.05917	1.1
81.03431	2.4
81.07062	17.1
91.05486	20.5
91.83062	0.5
92.05016	0.9
92.94723	0.5
93.07048	6.2
94.04195	32.9
94.06581	4.0
94.07849	0.9
95.04984	5.5
95.08622	13.3
96.04496	0.7
103.05476	1.3
104.06257	0.9
105.03394	0.7
105.04522	1.7
107.04964	23.0
107.08615	1.7
109.06532	4.5
109.10162	35.4
110.06052	2.5
110.10451	0.7
117.06304	0.6
117.07024	2.8
119.04962	1.1
119.08587	15.6
121.06519	9.1
122.02735	0.8
122.03660	46.1
122.07291	100.0
123.07628	1.5
135.04391	0.6
135.08072	4.1
137.02477	4.9
137.03381	1.0
137.04861	1.3
137.05977	71.2
137.09621	86.2
138.05493	15.7
138.06378	1.2
138.10017	1.3
145.75586	0.6
148.01564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
52.52449	1.2
53.03961	5.8
54.82052	1.0
55.01883	5.7
55.05515	8.3
57.03421	1.6
57.63872	1.1
65.03938	4.6
66.04720	3.4
67.05508	62.7
69.03424	4.4
69.07058	4.4
69.20635	7.2
69.21066	4.0
77.03938	1.6
79.05492	13.3
81.03421	9.0
81.07058	28.5
83.04990	3.2
91.05490	35.8
92.04998	1.1
92.05775	1.3
93.07051	9.5
93.16980	1.2
94.04185	22.8
94.06563	2.9
95.04982	15.4
95.07301	1.2
95.08607	14.0
96.05759	1.0
99.24215	1.0
102.66976	1.0
103.05479	1.6
104.06200	1.2
105.07051	1.6
107.04958	24.3
107.08604	5.8
108.05735	3.2
109.05786	2.3
109.06528	45.8
109.10162	46.2
110.06062	1.5
117.07043	3.5
119.04958	2.9
119.06055	1.8
119.08572	15.5
121.06524	7.6
122.03652	24.0
122.07292	89.1
123.07613	1.9
135.08083	3.6
137.02371	8.9
137.03485	4.1
137.05969	47.8
137.09624	100.0
138.05515	12.5
138.09947	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.72611	0.4
50.83903	0.5
53.03951	3.5
55.01883	1.3
55.05516	3.1
65.03948	3.6
66.04730	7.3
67.05509	31.7
69.03462	1.4
69.07079	4.0
69.28760	4.8
77.03911	1.0
79.05499	9.6
81.03433	2.9
81.07061	13.9
81.07524	0.9
87.05154	0.6
91.05487	17.4
92.05025	1.4
93.07059	7.5
94.04195	49.1
94.06571	3.2
95.04463	0.9
95.04988	8.3
95.08614	13.7
96.04501	0.6
103.05460	1.2
105.03352	0.8
105.04491	1.2
105.07082	1.2
107.04967	12.7
107.08600	5.4
109.06528	4.5
109.10166	26.2
110.06075	2.1
117.07034	1.4
119.04950	0.9
119.08597	10.4
121.05699	0.7
121.06489	3.8
122.03660	66.6
122.07293	46.6
123.04003	1.6
126.96929	0.6
135.04442	0.5
135.08073	1.7
137.02493	3.8
137.05983	100.0
137.09619	51.6
138.05495	16.0
138.06364	1.5
138.09087	0.7
138.10011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03943	11.0
55.01865	8.0
55.05500	12.1
57.03448	15.7
57.07064	2.9
65.03937	12.2
66.04717	2.5
67.05509	100.0
67.05875	4.7
67.54062	3.3
69.03430	19.8
69.07070	15.7
71.04981	6.5
77.21675	2.7
79.05500	52.0
81.03429	21.8
81.07061	60.5
91.05486	72.4
92.05000	3.1
93.07040	39.4
94.04191	28.5
94.06545	8.3
95.04977	36.7
95.08615	38.9
96.04499	3.1
97.02843	2.9
98.20991	2.5
105.04546	2.9
107.04942	3.4
107.08567	4.2
109.06506	25.5
109.07627	3.2
109.10168	27.3
110.06026	10.8
117.06976	4.1
119.04932	10.1
119.08558	17.7
120.03829	3.1
121.22995	2.8
122.03653	22.3
122.07285	11.7
137.02518	29.5
137.05775	51.2
137.06619	14.5
137.08020	3.0
137.09615	55.8
137.10693	4.0
138.01804	4.9
138.05530	32.7
138.06429	4.7
138.09138	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03937	1.5
53.88773	1.0
55.01859	1.0
56.68470	0.8
57.06810	0.8
61.95732	0.8
62.45701	0.8
64.01756	0.8
65.03941	1.9
66.04732	6.1
68.27100	0.9
70.17928	3.5
77.03918	1.4
77.07737	0.8
79.05483	3.7
81.07058	1.5
87.16378	0.9
91.05478	3.3
94.04195	52.2
95.04498	1.2
105.03422	0.9
106.23950	0.8
107.04950	2.4
109.06553	1.2
112.16348	0.9
122.03658	72.6
123.03979	1.7
137.05983	100.0
138.06340	2.6
147.24692	0.8
148.52756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02375	1.4
53.03948	8.4
55.01876	76.9
55.05508	11.0
61.05981	0.9
65.03939	6.8
66.04721	4.1
67.05508	45.8
69.03427	7.1
69.07053	3.3
71.04865	0.8
71.43523	1.7
78.03466	1.3
79.05498	47.7
79.43170	0.8
81.03426	6.9
81.07060	100.0
82.07387	2.3
90.77927	0.9
91.04973	1.3
91.05485	19.1
92.04980	2.5
93.07042	10.5
94.04194	32.4
94.06565	7.8
95.04443	1.1
95.04980	10.6
95.08603	19.9
96.04491	5.3
96.89784	1.0
105.04514	1.2
107.04948	5.2
107.08604	2.3
109.06525	17.8
109.10152	17.0
109.34788	0.9
110.06046	8.1
111.08100	1.8
113.72335	1.0
119.04922	3.3
119.08595	3.1
120.04491	1.0
121.02876	1.1
121.06506	1.7
122.03655	44.0
122.07294	12.4
124.48230	1.0
137.02432	9.3
137.03488	2.0
137.05968	88.0
137.09613	27.3
137.13202	1.4
138.05508	57.4
138.09116	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02401	0.6
53.03974	2.0
55.01894	1.4
55.05530	0.6
57.07069	0.5
65.03949	2.2
66.04726	8.3
67.05500	3.5
69.03434	0.5
71.32901	0.5
77.03943	1.1
79.05498	6.1
81.03412	1.0
81.07057	5.5
81.07452	0.5
91.05482	7.2
91.05995	0.4
93.07071	1.4
94.04189	51.4
95.04988	2.3
95.08601	3.1
105.03375	0.5
107.04974	1.9
109.06508	2.4
109.10168	1.4
110.06064	0.8
119.04954	0.7
122.03650	69.9
122.07316	0.8
123.03967	1.4
135.04427	1.2
137.02530	2.4
137.05969	100.0
137.09573	3.1
138.01811	0.6
138.05479	1.9
138.06329	2.0
157.64198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0758
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02375	2.3
53.03708	0.9
53.03953	17.6
55.01862	1.1
55.05497	1.1
63.63360	0.8
65.03944	8.2
66.04724	1.4
67.05507	6.3
69.03429	0.9
70.02948	1.7
70.48512	2.3
77.03927	2.9
78.04712	2.3
78.45156	0.8
79.05497	3.4
80.05014	2.9
81.03416	2.5
81.07065	6.5
91.05489	49.1
92.05810	1.6
93.05801	9.3
93.07051	20.5
94.04185	7.9
94.06575	1.7
94.07367	2.8
95.04977	22.8
95.08604	2.6
96.04515	1.1
105.04534	7.4
107.04970	0.9
108.04515	1.2
108.08115	13.0
108.08916	3.6
109.01109	2.5
109.06503	1.8
110.86062	0.7
118.06533	1.9
119.03551	5.7
119.04920	1.8
122.03657	9.4
122.07280	2.9
126.05531	9.0
136.02188	21.5
136.03941	1.9
136.06198	49.4
136.07574	100.0
136.12080	1.5
136.44838	0.9
137.02419	1.2
137.04576	2.9
137.05989	18.6
137.07953	1.5
137.09644	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	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
52.11624	0.2
67.02991	0.5
68.61271	0.2
70.40907	0.5
92.02475	0.8
94.04063	3.9
109.05133	0.5
112.05047	0.3
119.03558	12.1
135.68198	0.2
136.06194	100.0
137.04593	6.0
137.06538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	7.0
55.01876	1.6
55.05513	11.3
65.03933	2.4
66.23028	0.8
67.05509	41.1
69.07072	8.0
70.66406	1.4
70.66721	1.5
77.03877	1.0
79.05499	75.1
80.05827	1.1
81.07063	31.8
91.05489	30.4
93.07050	100.0
94.04071	1.6
94.07343	1.1
95.04976	10.2
105.04531	2.4
105.07037	8.1
106.68371	0.8
107.04959	5.3
107.08601	56.2
108.08892	1.2
109.01070	1.1
109.06525	2.8
115.05448	2.0
117.07073	1.2
119.03545	3.2
119.06071	1.5
119.08530	0.9
120.09396	1.1
133.10210	1.4
135.04427	3.6
135.05426	1.3
135.06589	1.2
135.07030	1.2
135.08067	10.9
135.11700	52.1
136.02182	16.9
136.03944	1.3
136.05164	1.8
136.06197	36.3
136.12025	1.2
136.37683	0.8
136.46613	0.8
137.04607	2.4
145.98775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.9
55.01877	2.0
55.05301	1.1
55.05513	12.1
62.99077	1.5
65.03938	3.0
67.05510	46.2
69.07071	8.7
70.84221	2.7
77.03912	1.6
77.81283	1.0
79.05496	74.8
81.07061	34.5
90.22014	1.2
91.04902	1.2
91.05486	28.0
93.07048	100.0
94.07339	2.1
94.07870	1.6
95.04964	8.0
99.68846	1.1
105.04513	2.0
105.07036	8.3
105.49896	1.0
107.04979	6.2
107.07871	2.6
107.08601	53.1
108.08926	1.4
109.01070	1.7
109.06512	2.0
115.05444	1.2
117.07018	2.4
118.06506	1.6
119.03567	3.5
119.08582	2.2
133.10112	2.3
135.04433	2.6
135.05498	1.2
135.07037	1.3
135.08073	9.9
135.11697	54.4
136.01407	1.2
136.02200	13.8
136.06192	30.7
136.07411	1.9
136.12082	1.4
137.04594	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02377	1.6
53.03944	8.0
55.01866	1.8
55.05511	12.8
61.50092	1.1
65.03918	3.2
67.05508	42.8
69.07068	8.3
69.75028	4.4
69.75437	2.2
72.70341	1.1
77.03920	1.8
79.05495	74.1
81.07060	35.6
91.05484	32.0
93.07047	100.0
95.04976	8.2
105.04517	3.4
105.07037	7.2
107.04939	4.2
107.07860	2.7
107.08595	56.1
108.08932	1.9
108.90067	1.2
109.01069	1.6
109.06540	1.8
115.05428	1.7
117.07004	1.7
119.03566	1.8
119.08610	3.7
133.10187	1.5
135.04449	3.3
135.08078	9.3
135.11697	56.8
136.02179	10.0
136.06160	14.0
141.01343	1.2
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
50.88663	1.3
53.03950	10.2
53.87262	1.2
55.01873	2.3
55.05513	14.1
57.57634	1.2
65.03944	4.2
67.05177	1.7
67.05508	24.6
69.07069	7.6
70.73181	3.5
77.03915	1.4
79.05497	77.3
79.39024	1.2
80.05847	1.3
81.07066	26.9
89.03954	6.6
91.04906	1.4
91.05487	47.6
93.07050	100.0
94.07847	1.7
95.04976	14.5
103.00796	1.2
105.04517	5.3
105.07035	17.1
107.04974	11.9
107.08602	82.9
109.06531	4.5
115.05470	5.4
117.07027	6.1
119.03537	2.9
119.06102	2.5
119.08589	8.3
120.09354	2.5
135.04433	11.3
135.05359	2.4
135.08069	19.6
135.10683	2.7
135.11700	53.7
136.02182	15.7
136.03908	1.3
136.06189	23.3
136.07610	2.9
137.04631	1.7
145.69807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03953	11.7
53.92739	1.2
55.01884	2.1
55.05518	13.3
67.05175	1.9
67.05511	24.9
67.05867	1.5
69.07063	7.5
77.03958	1.3
79.05499	75.9
80.05079	1.6
80.05806	1.9
81.07064	27.7
87.42894	1.3
91.05493	47.5
93.07052	100.0
95.04980	13.7
105.04515	3.7
105.07037	9.0
107.04946	5.8
107.08607	51.6
109.06528	2.1
109.75230	1.2
115.05447	1.7
117.07052	1.3
119.03555	2.5
119.08595	2.6
135.04422	4.8
135.05486	2.3
135.08096	7.0
135.08984	1.4
135.11702	46.9
136.02184	16.4
136.05151	2.1
136.06195	35.3
136.11145	1.4
136.12148	1.7
137.04547	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.22100	1.4
51.29759	1.2
53.03951	8.4
55.01860	4.5
55.05518	10.2
62.99083	1.6
65.03933	4.3
67.05509	43.3
69.07069	9.1
69.82053	7.4
75.08233	1.4
75.74609	1.2
79.05497	76.0
81.03410	1.9
81.07065	31.2
83.04105	1.4
86.89693	1.7
91.05487	36.6
93.07050	100.0
95.04988	10.2
105.04554	2.0
105.07045	9.4
107.01620	2.3
107.04971	7.7
107.07868	2.8
107.08602	57.5
109.06503	1.8
109.07903	1.6
115.05447	2.1
117.07027	3.0
119.03589	3.5
119.06074	1.7
119.08578	6.0
133.10136	1.6
135.04434	5.9
135.05438	1.7
135.08078	17.4
135.11705	58.6
136.02179	26.5
136.06194	32.5
136.07629	2.8
137.04604	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
53.03948	6.3
55.01858	1.8
55.05514	8.5
57.07078	1.3
65.03948	4.8
67.05505	5.2
67.83526	0.9
69.03433	0.9
69.07063	2.8
70.21579	3.9
77.03954	1.3
77.64778	1.2
79.05494	32.5
81.07066	7.3
89.03919	4.7
91.05486	62.3
93.07048	59.9
95.04986	9.6
98.20750	1.2
103.05454	1.3
104.06306	1.3
105.04508	3.5
105.07038	28.9
106.07874	1.5
107.04954	8.5
107.08599	100.0
108.08966	1.9
109.06512	8.2
115.05493	5.7
117.07027	5.6
119.03552	1.2
119.06054	4.2
119.07794	1.8
119.08583	22.5
120.09372	7.0
124.05206	1.2
133.10168	1.8
135.04463	8.0
135.08063	11.8
135.10695	2.5
135.11693	35.3
136.02168	10.2
136.06184	17.4
136.07574	4.4
137.04533	1.2
147.09285	1.2
152.90791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0452
Annotation	Aspartate
Peak:m/z	Relative Intensity
53.67076	3.2
53.85202	3.2
56.23326	4.3
57.03437	3.6
70.02934	5.3
70.06580	12.3
71.04988	14.7
71.53983	5.2
74.02447	100.0
74.06081	4.1
75.02778	6.8
84.41509	3.8
88.04007	38.7
98.06055	12.0
101.90089	3.8
130.03535	4.0
137.50066	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03951	4.3
53.30901	0.6
55.01879	13.6
55.05511	2.1
65.03948	9.6
67.05505	6.7
69.03441	14.1
70.11975	0.7
70.42859	2.3
79.05502	52.1
80.05796	0.8
81.03439	0.7
81.07067	1.7
89.03929	1.1
91.05490	100.0
92.05800	1.8
92.06276	3.1
93.07054	15.7
94.04066	1.0
95.04975	9.1
103.05476	0.7
105.04539	2.0
105.07044	33.4
106.04169	0.9
107.01688	0.8
107.04974	9.4
107.08602	53.6
108.04449	0.7
108.08936	1.4
109.06530	14.4
115.05468	29.6
115.06275	1.5
116.06289	1.3
117.07034	22.2
118.07333	0.8
119.03563	2.4
119.06080	8.1
119.08588	2.4
120.05741	1.4
120.09345	0.7
124.05228	1.3
135.04440	2.4
135.08070	39.7
135.11696	5.0
136.02185	12.8
136.06197	24.1
137.04604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67076	3.2
53.85202	3.2
56.23326	4.3
57.03437	3.6
70.02934	5.3
70.06580	12.3
71.04988	14.7
71.53983	5.2
74.02447	100.0
74.06081	4.1
75.02778	6.8
84.41509	3.8
88.04007	38.7
98.06055	12.0
101.90089	3.8
130.03535	4.0
137.50066	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	134.0451
Annotation	Aspartate
Peak:m/z	Relative Intensity
50.58016	7.6
51.40718	7.9
55.01879	15.7
56.96569	52.3
57.03424	34.1
64.26069	9.0
69.03429	23.0
69.73246	45.3
73.02926	13.8
78.52956	12.9
79.02169	9.1
79.05479	32.8
80.52683	11.3
81.03391	12.7
82.01426	19.9
86.52714	20.7
88.02676	9.2
89.36630	10.2
90.15651	8.1
91.05482	15.9
96.32269	10.1
98.20839	18.2
99.53429	9.8
100.02476	49.1
101.00881	32.9
106.06530	22.6
107.04961	26.3
107.08608	11.0
111.02942	18.2
115.02423	11.4
115.05479	14.1
118.03510	29.6
119.01920	100.0
120.02070	18.5
121.01631	18.3
124.02448	21.7
125.95667	8.7
125.99257	10.7
128.97809	27.3
128.99561	10.5
129.03986	18.7
131.01900	27.9
133.03487	13.9
134.05995	41.1
134.06926	10.0
134.09622	23.9
135.04388	15.4
137.02959	16.6
137.50015	15.1
137.98390	11.1
142.03508	62.0
143.03625	14.2
147.04999	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.7
53.03945	2.7
55.05510	3.6
56.34494	0.5
56.74683	0.5
57.26000	0.5
65.03947	0.8
67.05506	1.3
74.02424	0.6
77.03929	1.5
79.05502	12.0
91.05490	29.6
93.07051	7.0
95.04980	2.5
101.87746	0.5
103.05481	6.0
105.03400	1.1
105.07039	82.3
106.07387	1.5
107.08595	1.7
112.02206	1.8
113.03003	1.3
115.05457	8.4
116.06217	2.1
117.07031	9.3
118.06576	1.3
118.06960	0.6
118.07822	9.7
123.07941	2.5
124.90985	0.7
129.07031	0.7
131.08580	10.9
133.02864	1.6
133.06528	6.0
133.10143	100.0
134.09665	2.0
134.10507	1.7
144.88988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	2.3
55.05527	3.8
65.03954	0.8
70.89140	1.0
70.89462	0.9
72.75776	0.8
79.05493	11.2
84.32242	0.8
91.05486	24.3
92.05791	0.8
93.07059	6.2
95.04967	1.8
103.05480	4.8
105.07037	80.0
106.06622	0.8
106.07356	1.6
107.08595	1.7
112.02225	1.0
115.05466	8.7
116.06237	2.2
117.07021	10.6
118.07800	11.5
123.07980	1.1
129.06955	1.2
131.08569	12.8
133.06540	5.8
133.10136	100.0
134.10475	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
51.70211	0.5
53.03942	1.8
55.05514	2.5
59.37353	0.4
65.03932	1.0
67.05496	0.8
68.94743	0.4
70.71016	1.0
70.71353	0.5
74.02458	0.5
77.03912	0.7
77.10831	0.4
79.05496	8.7
87.16393	0.4
91.05488	26.0
93.07059	6.5
95.04973	2.3
103.05473	5.2
105.07037	68.6
106.07360	1.8
107.08597	1.9
112.02157	0.9
113.03001	0.6
114.07319	0.4
115.05463	7.4
116.06222	1.8
117.07034	10.3
118.07809	10.2
123.07938	1.9
125.62234	0.5
129.07040	0.6
131.08577	8.7
133.02892	0.7
133.06522	3.3
133.10136	100.0
134.06012	0.5
134.10480	3.2
144.04747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.01852	0.5
53.03950	2.7
55.01868	0.8
55.05515	2.8
65.03945	0.6
67.05483	0.7
71.00255	1.1
74.02444	1.4
76.25487	0.5
77.03941	0.9
79.05497	16.1
81.04547	0.5
87.05578	0.7
91.05486	27.0
93.07046	6.1
95.04964	3.4
103.05472	8.1
105.07037	100.0
106.07381	2.1
107.08595	1.3
112.02278	1.0
115.05472	7.4
116.06294	0.7
117.07023	7.1
118.04168	1.1
118.07811	8.7
121.69692	0.4
123.07966	2.0
131.04926	0.6
131.08575	9.8
133.02914	0.7
133.05470	1.2
133.06505	33.2
133.10136	76.1
134.06895	1.3
134.10464	1.7
144.04851	0.5
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	Tetralin
Peak:m/z	Relative Intensity
53.00319	0.7
53.03950	1.6
53.90047	0.8
53.90676	0.6
54.23897	0.6
55.05519	3.9
55.16919	0.7
66.01818	0.8
71.34060	1.7
74.20872	0.9
75.74663	0.7
76.14912	0.7
79.05499	9.4
91.05488	31.7
93.07063	6.7
95.04989	2.3
103.05493	6.3
104.13056	0.7
105.03451	0.9
105.07042	100.0
106.07374	1.5
107.08611	1.5
112.02197	1.8
115.05462	9.1
116.06242	0.9
117.07033	8.7
118.07825	8.0
123.07954	2.1
129.07037	1.3
131.08585	11.2
133.02875	1.5
133.06531	6.5
133.10143	75.2
134.06015	0.9
134.10518	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03944	1.7
55.05513	4.8
56.69434	0.8
57.39249	0.7
67.05479	0.8
69.91132	1.7
69.91534	3.0
77.03938	1.3
79.05494	10.0
91.05486	33.1
93.07048	6.6
95.04983	1.3
103.05471	6.2
105.07034	94.1
106.07361	2.1
107.08591	1.2
112.02205	1.1
115.05454	9.5
116.06260	1.4
117.07007	10.8
118.07808	12.5
123.07922	1.4
129.06978	0.9
131.08583	12.8
133.06512	3.6
133.10136	100.0
134.10477	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
54.10428	0.5
55.05518	3.8
56.63443	0.5
60.96399	0.6
60.97675	0.6
65.03964	0.7
67.05502	1.9
69.85828	3.2
74.02442	3.9
74.59867	0.6
77.03914	0.8
79.05492	9.2
80.46750	0.6
87.05591	1.0
91.05484	32.6
92.06275	0.9
93.07050	5.8
95.04974	2.2
98.76576	0.6
99.06360	0.6
103.05488	4.9
105.07037	88.1
106.07358	1.8
107.08624	1.5
112.02194	0.9
115.05458	8.3
116.06267	1.5
117.07020	10.0
118.07813	10.2
123.07999	1.0
129.07016	0.8
131.08571	12.3
133.02808	0.6
133.06523	3.4
133.10136	100.0
134.10460	2.3
137.61388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.69396	0.4
51.02395	0.5
53.03950	4.3
55.01871	2.0
55.05513	2.6
59.42036	0.3
65.03934	1.1
66.04716	0.9
69.03432	0.7
71.04986	1.1
74.02443	3.8
77.03934	1.3
78.04674	0.5
79.05499	15.8
80.05816	0.5
80.88318	0.4
81.03427	0.5
81.04552	1.8
82.05305	0.7
85.01157	0.4
87.05608	1.2
88.04000	0.5
89.03898	0.5
90.04711	1.5
91.05488	19.9
92.05783	0.6
93.07059	3.8
95.04971	3.8
97.02901	0.4
103.05475	11.4
105.03403	1.2
105.04518	1.2
105.07036	100.0
106.06657	0.4
106.07391	1.6
107.04971	0.6
107.08589	1.1
108.01843	0.4
112.02206	3.0
113.02985	1.9
115.05459	6.7
116.06267	1.3
117.07015	5.3
118.04176	5.9
118.07803	4.8
121.26643	0.5
123.07941	5.1
128.78780	0.4
129.07050	0.6
129.67383	0.4
131.04938	0.7
131.08571	7.1
133.02910	1.6
133.06506	48.8
133.10136	59.7
134.03632	0.8
134.05994	0.9
134.06874	0.9
134.10484	0.7
144.04822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03950	0.9
53.83511	0.4
55.05514	5.1
63.07702	0.3
65.03941	0.7
67.05509	1.8
70.96149	0.7
75.65918	0.4
77.03921	0.6
79.05499	7.2
79.05957	0.4
91.05489	34.4
92.05813	0.8
93.07045	1.8
93.46025	0.4
95.04979	1.1
103.05482	3.3
105.07037	100.0
106.06713	0.6
106.07346	2.7
112.02184	0.8
113.02980	0.6
115.05464	1.2
117.07014	1.7
118.07820	1.3
123.07927	1.6
131.08586	5.5
133.06467	1.4
133.07507	0.8
133.10138	28.8
134.10487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69396	0.4
51.02395	0.5
53.03950	4.3
55.01871	2.0
55.05513	2.6
59.42036	0.3
65.03934	1.1
66.04716	0.9
69.03432	0.7
71.04986	1.1
74.02443	3.8
77.03934	1.3
78.04674	0.5
79.05499	15.8
80.05816	0.5
80.88318	0.4
81.03427	0.5
81.04552	1.8
82.05305	0.7
85.01157	0.4
87.05608	1.2
88.04000	0.5
89.03898	0.5
90.04711	1.5
91.05488	19.9
92.05783	0.6
93.07059	3.8
95.04971	3.8
97.02901	0.4
103.05475	11.4
105.03403	1.2
105.04518	1.2
105.07036	100.0
106.06657	0.4
106.07391	1.6
107.04971	0.6
107.08589	1.1
108.01843	0.4
112.02206	3.0
113.02985	1.9
115.05459	6.7
116.06267	1.3
117.07015	5.3
118.04176	5.9
118.07803	4.8
121.26643	0.5
123.07941	5.1
128.78780	0.4
129.07050	0.6
129.67383	0.4
131.04938	0.7
131.08571	7.1
133.02910	1.6
133.06506	48.8
133.10136	59.7
134.03632	0.8
134.05994	0.9
134.06874	0.9
134.10484	0.7
144.04822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0611
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
53.01939	1.1
56.99345	1.3
60.04519	1.4
60.30880	1.4
69.51301	8.8
70.02950	5.8
70.06590	4.5
71.04991	3.3
72.08153	1.5
73.08484	1.2
74.02448	100.0
85.82294	1.1
87.05603	31.3
88.03993	10.3
88.07632	1.4
98.06066	4.4
98.20733	2.0
99.06394	2.2
116.03470	6.5
116.07087	2.4
127.45942	1.4
132.90501	3.5
133.06126	2.2
133.10555	3.2
134.11844	1.8
144.03241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.061
Annotation	[(ammonioacetyl)amino]acetate
Peak:m/z	Relative Intensity
53.03943	1.0
55.01868	3.6
55.05508	3.1
55.52347	0.6
56.05037	2.3
56.05837	4.4
56.96559	1.7
57.03430	1.5
57.48464	0.6
60.04524	1.4
61.01151	2.0
70.02955	5.3
70.06598	9.1
70.89890	1.6
71.04991	4.0
71.06931	2.1
72.08167	3.2
73.02927	1.4
73.08498	6.8
74.02445	100.0
74.06092	1.7
75.02784	0.9
78.52623	0.7
79.05507	0.6
81.03440	1.5
82.01445	1.2
85.08502	0.7
87.02688	3.1
87.03237	1.1
87.05599	30.3
87.10044	2.4
87.53174	0.7
88.04005	10.2
88.05956	0.8
88.07632	2.1
98.02435	1.0
98.06049	8.7
99.00845	0.7
99.01967	2.3
99.05790	1.0
99.06385	11.7
100.02470	2.4
101.02591	0.8
102.06362	2.2
103.02411	1.4
105.07050	3.5
115.08701	0.9
115.09482	1.3
116.03455	7.6
116.07069	1.0
116.08360	1.2
116.09048	7.8
118.03566	0.8
119.01929	1.7
119.02963	0.5
119.53262	0.9
120.03191	1.3
133.03465	1.5
133.05220	1.3
133.06186	3.7
133.10286	0.7
134.06030	1.3
134.08134	0.9
134.11809	1.1
137.04048	0.8
142.03540	0.7
144.03323	0.7
144.04456	0.9
151.04593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.06633	1.0
59.04996	2.7
69.07069	1.3
70.75997	2.2
70.76359	1.7
72.08163	3.6
86.09711	100.0
97.90583	0.8
98.06068	3.2
101.06033	2.3
115.08707	2.3
120.05472	0.8
131.29245	0.9
132.10172	1.6
143.81049	0.9
148.02939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.4
51.92802	0.3
53.03708	0.4
53.03952	5.2
54.03461	1.4
55.01879	4.1
55.04247	1.5
55.05513	5.0
56.05038	1.7
56.05852	8.4
56.06112	0.4
56.96571	8.0
57.01738	0.4
57.03444	2.8
58.06151	0.6
58.06597	0.9
58.99599	3.2
58.99869	0.7
59.05006	10.2
59.06934	0.5
59.96711	0.7
60.04500	0.5
60.05053	0.5
60.05342	7.7
60.05632	0.6
60.95844	0.4
61.01155	21.5
61.02911	1.0
63.11882	0.3
65.03954	0.5
66.85891	0.3
68.05026	0.4
69.03429	2.2
69.06719	0.6
69.07071	6.9
70.02961	0.6
70.03756	0.9
70.06245	0.5
70.06598	6.7
70.07404	23.4
70.84679	0.8
70.99558	0.6
71.01352	1.2
71.04644	0.5
71.05000	6.4
71.06922	4.1
72.00351	1.1
72.08162	10.0
72.52969	0.3
72.93781	0.8
73.02930	4.6
73.04033	1.3
73.06555	0.4
73.07839	1.2
73.08492	19.5
74.02033	0.4
74.02443	7.9
74.04366	1.0
74.06080	1.1
74.99052	1.4
75.02699	1.0
75.04477	0.3
76.85593	0.3
77.00628	1.2
77.03935	0.5
78.04695	0.5
79.02980	0.4
79.05503	3.9
80.05020	0.6
81.03419	0.6
81.04540	6.2
81.07053	0.3
82.01428	0.5
82.05334	2.6
83.01347	2.0
83.04978	0.6
84.01582	0.4
84.04488	0.4
84.05299	1.0
84.08131	0.6
85.01128	3.5
85.02911	3.6
85.08490	0.7
86.06090	0.3
86.09713	27.2
86.52672	0.4
86.99045	0.5
87.02698	25.9
87.04465	2.3
87.05585	2.6
87.09454	6.8
87.10036	100.0
88.02227	0.5
88.03984	1.2
88.07613	0.6
88.10361	0.5
89.10802	0.4
90.11124	0.3
91.02221	0.7
91.05489	4.5
92.05811	0.9
95.04971	1.0
96.01590	0.4
96.04483	0.8
97.02888	1.1
98.06059	7.8
98.97576	0.9
99.05790	2.4
99.06387	34.5
100.02484	2.9
100.07624	0.7
101.00858	1.4
101.06034	4.4
101.07948	0.9
102.06356	18.5
103.02468	2.3
103.03053	0.3
103.03939	0.6
103.05473	1.3
104.02400	0.4
104.05019	0.7
104.06274	1.8
105.00117	1.9
105.03780	0.6
105.04458	0.4
105.05843	0.7
105.07030	7.8
106.04056	0.7
106.06560	5.4
107.04963	6.7
108.05560	0.4
109.02879	0.4
110.01250	0.4
110.52597	0.3
112.01424	0.7
112.02198	14.6
113.02993	6.7
115.02454	0.6
115.03954	0.4
115.05511	0.6
115.08681	2.0
115.09519	1.8
116.03457	0.6
116.07147	0.7
116.09044	18.2
116.98624	0.7
117.05769	1.3
117.06995	0.4
118.03512	2.6
118.06036	1.9
118.54408	0.5
119.01931	10.3
119.03557	0.4
119.04918	0.4
119.53305	0.6
121.03475	1.4
122.07169	0.4
123.07944	20.3
124.05407	0.5
124.08285	1.0
125.02995	0.8
126.03730	1.0
128.00264	0.4
128.02023	0.3
131.01877	0.8
132.08093	3.3
132.90501	0.6
133.03339	6.8
133.05154	6.1
133.06473	4.4
133.07584	2.2
133.08511	4.5
133.10620	2.4
133.11597	0.6
133.56097	0.4
134.06026	20.3
134.09637	1.0
134.11754	1.2
134.99677	0.4
137.02965	5.0
142.03525	1.1
144.04759	4.2
145.05194	0.5
146.01277	0.5
146.99625	0.4
149.02919	0.4
150.09175	0.4
150.96870	0.9
151.04558	1.9
152.98663	0.5
154.03471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
60.15308	0.7
60.33350	0.6
64.66513	0.6
64.66841	0.6
67.32998	0.5
69.03448	0.6
69.61755	4.4
74.90617	0.6
77.98778	0.6
84.04527	0.7
84.08134	3.2
85.04859	1.5
85.07930	0.9
85.08475	11.4
91.05483	100.0
92.05802	1.6
98.21474	1.4
103.05463	6.5
105.07014	0.9
113.07936	2.7
115.05451	9.9
116.06250	26.1
117.58227	0.6
128.06218	1.8
129.07013	16.5
131.04930	1.8
131.08566	90.9
132.08878	2.2
133.06543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
56.21595	0.5
65.03952	1.1
69.91872	1.8
78.06994	0.6
80.76743	0.5
84.08141	2.8
84.38888	0.5
84.41212	0.6
85.04813	1.1
85.07925	0.9
85.08465	9.4
86.09720	0.8
91.05486	100.0
92.05791	1.4
93.39082	0.5
98.01984	0.5
98.86935	0.5
101.52132	0.5
103.05464	4.4
109.11358	0.5
113.07939	1.9
115.05449	6.0
116.06248	23.0
128.06268	1.7
129.07016	14.7
129.07771	0.3
130.07312	0.8
131.08574	83.7
132.08955	1.6
133.06480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
57.84960	0.4
59.14452	0.6
65.03934	0.9
70.03770	0.5
71.04854	0.6
71.05177	0.8
74.16581	0.5
78.23396	0.4
84.04527	0.8
84.08139	2.8
85.04842	1.6
85.07939	0.7
85.08478	9.4
86.09676	0.7
91.05485	100.0
92.05828	1.8
103.05463	5.1
105.07029	1.3
113.07956	1.6
115.05454	7.1
116.06248	25.4
116.69802	0.6
117.06554	0.6
128.06192	1.6
129.07016	16.7
130.07347	0.7
131.08569	88.9
132.08058	0.7
132.08913	2.4
133.06523	1.3
143.06056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45869	0.5
51.56369	0.5
53.03944	1.5
55.34343	0.5
56.83467	0.5
61.90179	0.5
65.03956	1.0
65.76674	0.4
70.03778	0.7
71.55624	0.6
84.04516	0.7
84.08146	2.3
85.04845	2.1
85.08465	9.1
86.09671	1.1
87.78741	0.5
88.61167	0.4
91.05486	100.0
92.05830	1.0
103.05470	5.5
105.07026	0.8
111.71578	0.5
111.86009	0.5
113.07958	2.3
115.05450	7.4
116.06252	24.4
128.06233	1.7
129.07013	16.1
130.07481	0.5
131.04947	1.4
131.08571	83.7
131.16275	1.0
132.08070	1.0
132.08955	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.076
Annotation	2-Amino-5-methylphenol
Peak:m/z	Relative Intensity
53.00318	0.9
53.03944	3.7
54.03471	1.0
54.04282	1.2
55.01877	3.0
55.05519	5.2
56.05032	2.4
56.49594	0.9
64.91820	0.7
65.03936	1.4
67.05500	2.4
68.05023	3.6
69.03416	3.3
69.07061	0.8
70.02945	1.0
70.53191	0.7
70.53535	2.3
74.04138	0.7
78.03445	1.8
79.05498	52.2
80.05024	11.6
80.05821	1.2
81.03397	1.1
81.05362	1.2
81.05791	7.6
81.07056	4.3
82.02947	15.4
82.06578	2.6
82.07390	2.4
83.04997	1.0
91.09330	0.8
94.06561	2.9
95.04945	4.0
95.07351	2.5
96.04493	22.0
96.05290	3.4
96.08136	10.4
96.08736	1.2
96.08927	0.9
97.01122	14.0
97.02891	4.6
97.04829	1.2
101.00876	2.2
101.02631	1.1
105.04539	0.9
106.06561	95.9
107.06936	1.1
109.05285	1.2
112.03967	12.2
117.46878	0.9
119.01050	1.0
119.01921	18.4
124.02194	11.2
124.03966	57.2
124.05914	6.5
124.07596	100.0
125.04286	1.6
125.05997	1.3
125.07974	1.6
125.09650	1.2
137.02974	7.1
140.03426	7.6
142.03568	1.2
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
58.06594	0.5
59.07384	0.4
60.08156	0.2
67.05508	0.5
70.75671	0.3
70.75992	0.3
78.06331	1.6
78.56509	0.3
80.05025	0.4
81.05294	0.2
82.01451	0.3
82.99832	1.9
83.01517	0.4
96.04506	0.3
96.05331	0.4
97.05291	0.5
100.02511	0.9
101.00887	25.9
101.02551	1.1
102.00970	0.7
102.02277	0.2
117.10277	0.8
118.03537	0.3
119.01929	100.0
120.01985	2.0
121.02356	0.3
124.02493	0.3
124.03979	1.2
124.05936	0.4
124.07587	0.5
133.03485	0.6
137.02965	27.7
138.03105	0.4
142.03514	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	124.076
Annotation	2-Amino-5-methylphenol
Peak:m/z	Relative Intensity
51.71936	0.7
53.00314	1.1
53.03945	3.5
54.03474	1.4
55.01878	2.9
55.05516	4.5
55.05755	0.9
56.05037	2.2
59.87119	0.7
67.05511	2.4
68.05023	2.2
69.03443	2.9
69.47038	0.8
70.02975	1.5
70.60038	1.8
70.60407	1.3
72.75178	0.7
76.94032	0.6
77.05944	0.7
78.06348	1.4
79.05499	54.1
80.05011	4.9
80.05854	0.8
81.05799	1.2
81.07023	1.3
82.02944	16.5
82.03414	1.3
94.06573	1.0
95.04971	3.2
95.07377	1.1
96.04504	8.4
96.05267	1.0
96.08137	5.4
97.02890	1.5
97.05330	0.8
100.99601	0.7
101.00882	7.1
106.06564	100.0
107.06915	2.3
112.03976	2.8
119.01929	26.3
120.02013	0.8
124.03966	19.0
124.05934	2.8
124.07602	95.2
125.07156	0.9
125.07959	1.9
137.02966	7.3
140.03468	1.4
142.03499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99854	0.2
65.70758	0.2
67.87549	0.1
70.95800	0.2
70.96125	0.4
72.30534	0.1
82.01449	0.3
82.99841	1.7
83.01536	0.7
93.35281	0.2
96.37859	0.1
97.38619	0.2
100.02488	0.7
101.00883	27.0
101.02552	1.9
102.00943	0.8
102.02246	0.6
118.03514	0.4
119.01926	100.0
120.02010	2.6
120.03301	0.2
121.02322	0.5
124.02480	0.5
133.03485	0.7
137.02963	26.9
138.03061	0.8
142.03516	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	0.7
58.99864	0.4
59.07358	0.3
64.11720	0.2
67.05505	0.2
70.06590	0.3
70.99859	0.3
71.54615	0.2
77.00896	0.3
78.03473	0.3
78.06330	0.7
80.05014	0.7
81.05372	0.8
81.05795	0.2
82.01455	0.4
82.99840	1.9
83.01521	0.6
89.00911	0.2
96.04525	0.5
96.05309	0.7
97.05309	0.3
100.02489	1.2
101.00883	26.5
101.02570	2.1
102.00966	0.6
102.02245	0.5
107.03280	0.3
110.04790	0.7
117.10261	0.7
118.03541	0.5
119.01926	100.0
120.02005	2.6
120.03281	0.4
121.02377	0.6
124.02456	0.8
124.03960	4.2
124.04866	0.3
124.05917	2.4
124.07562	1.0
125.07125	0.3
133.03459	1.0
137.02963	29.5
138.03102	0.7
142.03506	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57399	0.3
53.03951	1.9
55.01873	0.3
55.05514	4.6
57.07077	3.0
65.03948	1.2
66.04715	0.4
66.77736	0.3
67.05508	18.4
69.07074	2.9
69.35661	0.3
69.56746	0.7
69.57155	1.1
79.05498	16.6
80.05019	7.3
80.05762	0.3
81.03432	0.5
81.07059	100.0
82.07391	1.3
91.05476	0.5
91.99454	0.3
93.07062	1.9
94.07832	0.6
95.01326	0.5
95.04967	3.2
95.08611	12.0
96.04491	2.4
100.02500	0.4
105.04534	0.3
105.07038	1.0
108.05691	0.4
108.09389	0.7
112.03992	0.4
121.10150	1.0
123.04473	1.3
123.05558	17.2
123.08073	4.4
123.11713	14.9
124.03967	2.5
124.07547	0.4
140.03503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02382	0.8
51.15499	0.3
51.88372	0.3
53.03746	0.4
53.03949	4.5
55.01876	0.4
57.41758	0.3
67.05502	0.5
71.52571	0.6
77.03917	0.4
78.03022	0.7
78.03457	11.7
80.05022	40.0
81.03415	0.5
81.05347	0.4
82.01440	1.4
95.04977	29.0
96.04500	13.3
100.02521	2.6
101.00896	1.8
105.04514	2.3
106.02924	22.5
118.03503	1.6
119.01935	5.7
120.56398	0.3
123.04529	5.3
123.05556	100.0
124.03990	2.4
124.05892	0.7
137.02963	1.2
142.03534	0.4
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
53.03946	1.2
56.93713	0.2
58.06610	0.5
59.07370	0.3
67.05515	0.5
68.05027	0.5
69.53896	0.2
70.72033	0.4
78.03470	2.5
78.06338	0.7
79.04221	0.3
79.05484	0.2
79.43132	0.2
80.05021	40.1
81.05346	0.5
82.01443	1.9
95.04971	4.1
95.06037	0.3
96.04499	10.9
100.02494	7.7
101.00880	1.6
105.04533	0.7
106.02921	2.8
117.10262	0.6
118.03529	3.0
119.01928	9.0
123.05558	100.0
124.03968	2.4
124.05899	0.7
137.02980	2.5
142.03520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.32973	0.4
51.02372	1.0
53.03746	0.6
53.03951	7.1
55.01862	1.1
55.05512	6.1
56.64817	0.5
57.07054	1.0
57.98119	0.4
65.03939	1.2
66.80386	0.5
67.05510	30.9
68.05834	0.5
69.03437	0.7
69.46276	3.7
77.03917	1.6
78.03437	1.1
79.05494	17.1
80.04564	1.1
80.05022	18.5
80.06284	1.7
81.03421	1.2
81.07061	24.4
82.01450	0.8
87.34071	0.6
90.04677	0.6
91.05467	2.1
93.07051	6.7
95.04974	27.0
95.08612	46.7
96.04509	7.0
96.08134	0.8
96.08910	0.7
97.01125	0.7
100.02488	3.9
103.05473	2.6
105.03387	1.4
105.04508	2.6
105.07037	15.8
106.02939	1.4
106.06532	0.8
107.04962	11.9
108.05747	63.4
109.06084	1.1
112.03982	1.5
118.03527	2.1
118.06530	0.8
119.01946	0.9
121.06509	11.0
123.04451	13.1
123.05562	44.3
123.08074	100.0
123.11678	6.2
124.02138	0.9
124.03961	7.2
124.07581	1.7
124.08418	2.0
125.06037	0.8
132.07980	0.5
133.07637	1.0
135.05530	0.9
138.47871	0.5
141.58807	0.5
144.08022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	4.2
53.03949	17.8
55.01863	3.4
55.05519	6.2
57.07077	4.9
62.56707	0.8
65.03943	2.3
65.99972	1.0
67.05511	33.6
69.07066	3.5
69.85403	5.4
77.03936	11.5
77.27089	1.0
78.03445	2.3
79.05499	18.4
80.05025	34.6
81.03421	1.9
81.07063	100.0
82.01440	1.8
82.07418	1.2
91.05480	1.2
93.07069	5.1
95.04977	73.8
95.08614	22.7
96.04488	13.4
96.05318	2.0
98.20718	1.1
100.02499	4.8
105.03413	8.5
105.04506	6.0
105.07022	2.7
105.93012	0.9
106.02946	2.5
106.06606	1.6
107.04996	1.0
108.05746	4.6
108.09329	1.0
112.03954	1.4
118.03541	2.6
119.01907	1.5
123.04438	82.1
123.05554	69.4
123.08072	37.9
123.11716	25.6
124.03964	14.6
124.07603	2.1
126.05023	1.2
126.94841	1.1
140.03453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.5
53.03949	13.2
53.46332	0.7
55.01872	1.3
55.05511	0.9
56.96569	0.6
57.03436	1.8
57.18361	0.6
58.06604	4.3
58.99855	1.2
59.07386	2.5
60.08162	1.2
63.48189	0.8
65.03943	0.9
67.05513	6.6
67.58529	0.7
68.05025	1.7
69.55772	3.3
69.56187	1.6
70.06590	0.9
75.51479	0.6
77.00928	0.8
77.03940	1.7
78.03470	5.9
78.06335	10.4
79.05502	1.9
80.05020	33.8
80.05489	1.7
80.40324	0.7
81.03407	1.6
81.07058	2.2
82.01449	15.9
84.08127	1.2
92.07893	1.1
95.04975	100.0
96.04504	12.5
96.05162	1.0
96.17010	0.8
97.05277	2.9
99.09214	1.8
100.00103	1.5
100.02488	67.0
100.07585	1.3
101.00870	8.1
101.02614	1.6
105.04507	5.5
106.02916	10.5
117.10261	6.8
118.01153	3.2
118.03529	31.8
119.01929	36.2
123.04466	17.2
123.05569	81.8
124.03963	9.4
124.05873	1.1
124.07601	0.8
126.21701	0.8
130.84692	0.7
137.02991	10.9
139.12070	0.7
141.05101	1.3
142.03493	2.4
143.11893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.09567	0.4
51.02387	1.1
53.03952	12.0
55.01871	0.9
60.40893	0.4
63.95067	0.4
65.03941	0.4
67.05524	2.5
69.20596	3.8
69.20988	1.1
77.03938	2.2
78.03458	1.3
78.06352	0.4
80.05027	5.5
81.03418	0.9
82.01460	1.8
84.12521	0.4
95.04978	100.0
96.04497	1.6
96.05309	1.5
100.02489	5.5
101.00914	4.4
105.04522	5.3
106.02906	2.3
110.76941	0.4
112.41685	0.4
116.71929	0.4
118.03531	2.6
119.01932	15.2
119.04817	0.4
123.04449	17.8
123.05569	14.2
123.06458	0.5
123.09175	0.6
124.03973	1.4
135.11275	0.4
137.02953	3.2
142.03575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
51.26796	1.0
53.03952	13.5
55.01865	1.1
57.03433	1.3
58.06605	5.3
58.99856	1.5
59.07376	2.2
67.05516	6.2
70.49595	3.5
72.04729	0.9
74.64900	0.9
77.03916	2.6
78.03471	7.2
78.06342	11.4
80.05025	41.6
81.03420	2.3
81.07061	2.2
82.01456	26.2
83.01525	0.9
92.07909	1.0
95.04980	100.0
96.04498	10.5
96.05239	1.9
97.05260	2.5
99.09214	1.1
100.00107	3.1
100.02495	97.2
101.00900	10.3
101.02592	2.1
105.04533	5.4
106.02934	16.1
116.08911	0.9
117.10271	6.8
118.01134	6.0
118.03539	39.9
119.01933	44.6
123.04456	14.6
123.05558	99.9
124.03922	8.3
131.31616	0.9
137.02969	13.6
141.02748	0.9
141.05164	1.2
142.03502	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	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
57.03694	0.6
58.99861	1.1
68.84982	0.6
70.33459	2.3
77.00908	0.8
82.01451	29.7
82.99854	0.7
98.21444	0.6
100.02489	100.0
101.00888	13.2
101.02583	2.5
114.04023	0.9
118.03529	39.9
119.01928	55.9
123.04083	2.0
132.05045	0.9
137.02966	14.7
142.03537	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02382	3.1
51.28465	0.9
51.86837	1.0
53.03708	1.3
53.03951	22.3
55.01874	2.4
55.05497	3.6
57.24322	0.8
65.03935	5.4
67.05497	1.9
71.00214	2.2
77.03928	4.9
78.04700	1.7
79.05498	43.7
81.03418	2.7
81.07044	2.1
91.05488	63.5
92.05834	1.4
93.07050	63.7
94.07381	1.4
95.04974	33.5
97.58648	1.2
101.46323	0.9
103.05474	57.3
105.04539	9.6
105.07037	100.0
106.07870	7.3
111.04494	1.3
119.08591	15.3
120.05792	1.0
121.02874	6.5
121.06512	80.9
121.10148	53.3
122.06864	2.8
123.08059	12.0
125.29842	0.9
133.07628	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	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
51.39068	1.2
53.03949	16.6
55.01877	1.3
55.05507	8.5
58.88969	1.2
60.59286	1.5
65.03949	8.6
67.05512	8.5
69.43832	10.0
72.95803	1.3
75.67042	1.4
77.03923	4.3
79.05498	74.2
80.67752	1.1
81.03410	2.3
81.07058	2.7
91.05486	54.0
93.03381	1.6
93.07047	94.7
95.04972	19.3
103.05471	24.2
105.04503	6.9
105.07036	100.0
106.07865	9.2
111.04432	1.9
119.08588	14.9
121.02882	9.0
121.03962	3.1
121.06543	13.6
121.10148	60.7
123.08070	11.4
129.57603	1.3
133.07628	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	122.0365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03954	0.5
55.01871	2.0
62.84124	0.3
65.03947	12.2
66.04729	69.1
67.05070	0.8
67.05484	0.7
79.01842	0.4
79.05502	0.9
80.05025	4.6
81.04552	0.5
81.07067	1.2
92.05836	0.4
93.03432	1.6
94.04197	100.0
94.06560	1.3
94.07392	1.0
95.04508	1.1
95.05027	1.5
95.08593	0.3
96.04503	0.9
100.02518	0.8
104.04979	0.4
118.03515	0.5
121.02859	0.3
122.03670	8.6
122.06039	2.6
122.07076	0.9
122.09667	2.1
122.10439	0.5
123.05560	8.3
123.08118	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02388	0.5
53.03950	6.8
55.01874	0.8
55.05516	1.4
55.11772	0.4
56.51470	0.4
65.03944	1.2
66.24682	0.4
67.05501	0.9
68.44569	0.5
70.73861	1.2
77.03902	0.7
78.04667	0.5
79.05495	35.2
80.05847	0.4
81.03437	0.8
81.07062	0.7
85.83428	0.4
91.04905	0.4
91.05485	12.6
93.07048	19.9
95.04969	8.0
103.05473	20.4
105.04574	2.9
105.07034	100.0
106.07157	0.5
106.07873	6.4
119.08582	14.7
120.05701	0.6
121.02858	1.3
121.04018	0.9
121.06555	3.4
121.10148	48.4
122.06010	0.9
122.10477	1.1
123.08070	11.9
133.07605	5.2
138.06763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03738	1.1
53.03949	13.6
55.01867	1.3
55.05517	12.4
56.90497	1.1
57.16561	1.1
63.61926	1.3
65.03950	6.0
66.97832	1.2
67.05508	37.5
69.40684	1.5
69.41071	9.0
77.03918	1.4
79.05498	98.4
80.05853	1.6
80.06301	1.5
81.07066	2.8
91.05487	32.4
93.07050	100.0
94.07378	1.1
95.04974	16.7
97.68983	1.2
98.21521	2.7
103.05476	16.8
105.04559	5.6
105.07035	61.8
106.07810	4.3
112.28744	1.2
119.08585	10.2
121.02891	5.1
121.03989	3.2
121.06519	13.3
121.10150	60.8
122.06081	1.8
122.07130	2.1
122.09678	2.4
122.10522	1.4
123.08055	7.1
133.07639	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02369	1.1
53.03950	14.2
55.01880	1.2
55.05516	6.5
58.47245	0.8
65.03951	8.4
67.05497	3.9
67.43138	0.9
69.40977	7.1
77.03918	2.8
78.04710	1.1
79.05499	53.2
81.03419	1.4
81.07066	3.6
91.05488	47.2
93.03366	0.9
93.07051	84.6
94.07381	1.2
95.04974	20.9
103.05477	20.5
103.87015	0.8
104.05788	1.0
105.04552	5.7
105.07039	100.0
106.07874	7.2
111.04442	1.9
119.08595	13.8
121.02872	9.3
121.04004	2.8
121.06509	17.1
121.10152	52.0
122.06036	1.3
122.10484	1.0
123.08054	9.1
133.07631	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01609	0.9
50.76500	0.5
51.02379	1.6
53.03706	1.2
53.03952	21.3
55.01882	2.6
58.47677	0.5
65.03949	5.1
71.03932	1.3
76.67101	0.5
77.03934	4.0
78.04742	0.6
79.05485	2.9
81.03419	3.0
91.05488	55.4
93.07049	49.4
94.07351	0.9
95.04977	32.1
96.05318	0.5
102.04692	1.6
102.48843	0.5
103.05474	100.0
104.05815	2.5
105.04523	9.2
105.07040	3.1
105.28665	0.6
111.04418	1.3
115.83130	0.5
121.02872	6.3
121.03985	1.8
121.06512	68.7
121.08386	1.8
121.10136	1.5
122.06860	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
53.03951	4.2
55.01878	1.9
55.05511	1.4
65.03947	77.1
66.04272	0.9
67.05511	1.4
68.99787	0.6
69.92117	2.7
71.63657	0.5
72.24481	0.5
77.03950	0.8
78.04704	0.6
79.05499	11.1
81.07072	0.6
81.98492	0.5
88.61228	0.6
91.05488	11.8
92.12360	0.5
93.03413	13.2
93.03978	0.9
93.07049	16.8
93.07629	0.9
94.06592	0.6
95.04974	6.1
98.03695	2.4
98.21537	0.5
103.05481	6.9
104.05839	1.4
105.04575	1.5
105.06310	0.6
105.06433	0.3
105.07040	21.3
106.07851	2.0
111.04449	14.3
119.08597	3.3
121.02900	100.0
121.04004	21.2
121.06506	8.5
121.08470	0.9
121.10145	12.0
122.03227	1.3
122.05989	0.6
123.08094	2.3
133.07671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.6
51.02380	2.7
53.03951	22.5
54.64432	0.5
55.01883	3.3
56.96566	0.7
57.25577	0.5
57.41589	0.5
58.99593	0.6
59.89460	0.4
60.25830	0.4
60.87155	0.5
61.41166	0.6
64.71286	0.4
64.94714	0.6
65.03945	5.0
68.05019	0.5
71.04913	1.3
76.02252	0.8
77.03929	3.8
78.04756	0.6
79.05502	5.4
81.03409	3.1
81.04536	0.8
83.33746	0.5
91.05486	59.6
92.05810	1.2
93.03420	0.6
93.07050	54.1
94.06560	0.8
94.07378	1.1
95.04973	34.2
96.05330	0.9
102.04675	1.9
103.05473	100.0
104.05814	5.7
105.04517	10.6
105.07024	8.1
111.04453	1.3
119.08615	0.8
119.23191	0.5
121.02888	5.6
121.04003	2.0
121.06512	73.4
121.08399	6.7
121.10123	4.2
122.06010	1.1
122.06873	1.1
122.09680	1.5
123.08089	0.8
127.99032	0.5
133.07556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.01593	0.5
53.03951	2.0
54.04281	0.7
57.05189	0.5
65.03941	2.6
69.95971	1.8
79.05502	3.8
82.81513	0.5
91.05488	100.0
92.05819	1.5
93.07063	2.7
95.04970	1.1
96.05296	1.1
103.05464	4.3
104.06250	5.9
105.04504	0.8
109.06511	0.6
111.91405	0.5
115.05476	2.7
117.06214	0.8
117.07031	12.2
119.04957	1.4
119.06077	1.1
119.06870	1.8
119.08591	41.4
120.08136	0.8
120.08938	0.8
121.06523	0.5
131.57536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
65.03932	2.6
70.00410	2.5
74.06084	0.9
77.03928	1.1
78.93127	0.9
79.05486	2.5
81.90271	0.5
91.05489	14.6
92.04991	1.8
92.05820	8.2
93.07047	16.8
95.04961	4.9
102.04648	1.1
103.05473	81.2
104.05722	1.2
105.04495	1.6
105.07095	3.2
105.92271	0.6
106.07884	0.6
118.06567	2.1
118.07349	1.4
119.07302	1.4
120.04440	2.3
120.05614	2.4
120.08115	100.0
120.08884	6.6
121.02869	1.0
121.06525	1.7
121.08463	1.0
121.10152	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.7
53.03946	2.4
56.37103	0.5
65.03944	9.4
69.52009	3.8
71.85394	0.5
76.27656	0.5
78.04694	1.2
79.05498	6.5
91.05485	100.0
92.05817	1.0
93.07048	3.9
95.04986	2.7
103.05476	9.2
104.06255	11.7
105.04546	1.0
109.06522	1.1
115.05451	4.6
117.06219	1.2
117.07024	18.6
119.04964	10.9
119.08586	79.0
120.08122	0.8
120.08924	0.8
131.06110	0.6
131.14017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.9
65.03946	6.7
67.05513	0.8
70.99917	1.2
77.03930	1.0
78.04719	1.4
79.05492	6.6
81.71799	0.5
85.85940	0.5
91.05486	100.0
92.05819	1.3
93.07052	5.0
95.04977	3.1
103.05479	11.1
104.06260	11.0
105.04544	0.9
109.06495	1.0
115.05491	4.8
117.07024	22.7
117.07857	1.2
119.04966	6.1
119.08587	88.2
120.08128	1.0
120.08913	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02363	0.7
53.03954	2.6
55.01875	0.5
65.03947	7.6
69.66934	2.4
70.33434	0.4
71.35623	0.5
78.04726	0.7
79.05502	7.4
91.05489	100.0
92.05821	1.5
93.07053	3.9
95.04990	2.2
96.05298	0.4
98.21473	1.0
102.04648	0.5
103.05481	10.5
104.06256	9.7
105.04520	1.1
105.11591	0.4
115.05466	4.4
115.49213	0.5
117.07028	17.7
117.07863	1.0
118.07365	0.5
119.04958	10.4
119.06834	1.5
119.08589	73.5
120.08124	0.9
120.08920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.4
53.03945	2.9
58.30290	0.4
65.03944	6.6
67.05508	0.7
67.21920	0.4
69.36945	3.6
70.03741	0.4
77.03928	0.8
78.04717	0.9
79.05502	6.3
88.04816	0.6
91.05487	100.0
92.05826	1.1
93.07058	5.2
94.34062	0.4
95.04969	2.7
96.05322	0.6
98.21498	0.8
102.04697	0.6
103.05477	10.6
104.06258	9.2
105.04522	1.0
109.06499	0.8
115.05464	4.3
117.07025	18.5
119.04960	6.6
119.06100	1.2
119.08588	77.3
120.04510	0.5
120.05668	0.5
120.08111	0.8
120.08938	1.2
121.06509	0.5
131.06052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03949	3.4
54.04279	0.7
64.03137	0.4
65.03948	7.5
69.25919	3.9
77.93398	0.6
78.03463	0.5
78.04723	1.4
79.05499	7.1
88.04792	0.7
91.05489	100.0
92.05820	1.2
93.07039	4.8
95.05002	2.3
96.05331	1.1
103.05473	9.5
104.06258	9.6
105.04530	0.4
107.59833	0.4
109.06516	0.7
109.56175	0.5
115.05468	4.7
117.07031	20.5
118.07284	0.5
119.04974	6.2
119.06088	1.5
119.06839	1.6
119.08590	77.5
120.04488	0.6
120.08117	1.0
120.08919	1.2
131.06044	0.5
134.71083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
54.25077	0.4
56.96573	0.5
65.03944	18.7
69.03435	0.6
70.14812	0.9
72.06827	0.5
87.50236	0.4
91.05486	100.0
92.02462	0.5
92.05831	1.3
100.02487	0.6
101.00871	0.8
109.16926	0.4
119.01945	2.2
119.03693	2.1
119.04951	24.5
120.05266	0.8
137.02939	0.7
138.48471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95662	0.5
53.03939	0.6
55.05516	0.9
56.96576	8.3
57.03429	1.1
59.06133	0.7
60.95844	0.6
65.01410	0.5
65.03947	15.4
67.02989	1.8
67.05515	0.8
67.51051	0.5
69.03432	5.7
70.03789	1.2
71.03007	1.0
71.06915	0.5
71.54836	0.9
72.08137	1.3
73.08477	1.2
74.06065	0.8
74.50025	1.7
76.93363	0.6
78.52945	1.2
78.93132	0.4
78.95277	1.1
79.05491	0.7
80.02975	0.5
80.05098	0.5
81.03432	1.5
82.01448	2.2
83.50555	4.2
84.52969	0.5
87.00806	0.7
87.04469	0.6
87.53455	0.6
88.04826	3.2
88.05305	0.7
91.05489	100.0
92.02497	5.1
92.04990	0.6
92.05826	1.4
93.07050	0.6
93.53477	0.9
95.05005	1.0
95.52391	1.2
98.98721	0.9
99.01975	0.7
100.02483	8.8
101.00861	2.4
101.02544	0.7
101.07983	0.6
103.02457	1.0
103.04037	0.7
103.05482	2.0
104.52876	5.0
105.03065	0.5
107.05278	0.9
116.03722	0.5
116.05775	0.7
116.48165	0.6
117.07023	0.8
118.03526	3.2
118.06660	0.5
119.01955	9.2
119.03572	28.5
119.04964	21.7
119.06059	1.8
119.06842	0.9
119.08566	2.8
120.03284	0.6
120.05588	0.6
120.08140	2.1
121.03532	0.8
131.01929	0.6
133.03516	1.5
135.00702	0.6
137.02994	3.3
137.04546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.6
55.01872	1.3
55.05525	2.4
56.05036	2.0
56.05845	5.1
56.96569	1.6
57.03436	1.0
58.99870	1.4
59.52198	1.3
59.77017	0.4
59.80058	0.4
65.03944	15.8
66.72276	0.4
67.01872	0.6
67.05512	1.3
69.03433	20.0
70.03770	5.7
70.04124	0.7
70.06587	0.8
71.02986	1.9
71.04972	0.5
71.06927	2.5
71.53535	0.8
72.05329	0.9
72.08159	7.9
73.02901	0.4
73.07908	2.5
73.08488	26.2
74.06081	1.9
77.00913	1.0
78.52559	0.5
78.52947	2.1
78.93127	0.5
79.03053	0.7
79.05505	1.0
80.03504	1.0
82.01443	4.5
82.02675	0.5
83.01507	0.5
83.06921	1.4
84.52934	0.8
85.53736	1.1
87.00838	1.8
87.04474	6.4
87.53484	3.0
88.04805	19.7
91.05484	100.0
92.05018	0.6
92.05821	1.6
92.12514	0.4
93.07069	0.5
93.53488	1.6
94.54264	0.7
100.02484	23.4
101.00910	1.8
101.02557	2.7
101.07301	1.0
101.07944	8.5
102.02251	1.6
102.05544	0.5
102.09066	0.5
103.02464	1.6
103.05486	1.0
107.05261	1.3
107.53211	1.4
108.03413	0.5
111.04426	0.8
115.02467	0.5
116.05669	0.6
116.53740	0.8
118.03523	14.6
119.01303	0.3
119.01926	13.0
119.03666	3.0
119.04945	19.9
119.06033	1.5
119.08591	1.9
119.11488	3.5
120.08124	1.2
120.80042	0.4
121.03488	1.4
123.04016	0.5
126.04061	0.7
131.01915	1.3
133.03479	2.9
137.02972	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30885	0.7
55.01886	1.0
55.05502	1.3
56.28797	0.7
56.96572	4.9
57.03423	0.7
59.52198	0.9
65.01418	0.8
65.03947	17.6
65.06191	0.7
65.52218	1.0
67.02989	2.3
67.05502	1.1
69.03436	13.6
69.93077	0.7
70.03767	1.0
70.06610	1.0
70.18083	1.7
70.18475	2.1
71.02983	2.5
72.08173	1.4
72.52985	0.7
74.50023	1.7
78.52968	1.8
79.05473	0.9
81.03423	1.5
82.01443	6.7
83.01502	1.0
83.50549	2.2
84.87033	0.7
85.01432	1.2
87.53492	2.6
88.04821	2.6
91.05489	100.0
91.37576	0.9
92.02494	6.0
92.05820	1.0
93.53497	1.9
100.02494	20.4
101.00874	4.0
101.02578	2.5
102.02241	2.0
103.02460	1.9
103.05463	0.8
104.52887	2.5
107.53220	1.4
113.00789	0.8
116.05749	0.9
116.53736	2.1
118.03535	9.3
119.01928	17.1
119.03575	28.7
119.04935	24.7
119.08603	1.8
121.03471	1.3
123.04063	0.7
131.02005	1.0
133.03508	2.1
137.02971	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	4.4
58.99868	5.9
59.52212	6.5
67.05508	8.2
67.68333	3.0
67.72411	3.5
69.03436	71.4
69.92369	12.8
71.02985	7.5
78.52980	8.6
79.86182	2.8
80.02945	4.6
80.06314	3.2
82.01461	34.4
83.01528	3.3
84.52938	3.3
85.01439	5.5
85.53733	3.7
85.76797	3.0
87.53459	5.7
91.05489	9.2
93.53485	7.7
97.72222	3.2
98.20856	6.4
100.02491	100.0
101.00887	24.2
101.02583	12.0
103.02463	10.5
107.05285	11.7
107.53244	5.3
107.55324	3.3
109.70094	2.9
116.05806	9.2
118.03528	38.0
119.01927	91.6
119.03640	8.3
121.03502	6.5
129.04025	3.5
133.03453	9.7
137.02966	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01600	2.1
51.02371	8.7
51.51962	1.8
53.03949	72.3
55.01857	5.0
55.05521	2.5
69.03425	6.2
70.06580	8.2
70.94966	4.0
70.95307	3.3
72.08167	10.6
76.93373	7.0
77.03919	11.1
79.05506	4.3
81.03413	5.5
82.06586	3.4
87.04469	51.8
91.05483	85.4
94.94396	2.4
95.04971	94.3
95.64100	1.9
100.07610	16.8
103.05493	4.6
104.06242	5.6
105.04522	28.4
117.07018	9.2
118.06546	100.0
118.07287	3.4
118.08673	5.7
119.08591	30.7
119.09370	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	116.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05809	0.5
58.06599	9.0
59.98024	0.1
68.05036	0.2
69.49169	0.2
69.49582	0.6
70.06592	24.1
71.04984	0.6
72.08167	0.2
72.93853	0.1
76.76151	0.1
88.07631	7.3
98.09691	1.0
100.07629	0.2
101.08397	0.5
116.07104	2.1
116.10732	100.0
117.11069	0.4
120.18407	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	116.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51320	0.2
54.01321	0.2
57.05816	0.5
58.06604	8.5
69.54279	0.9
69.54687	0.4
70.06595	4.1
71.04993	0.4
72.08146	0.2
78.73418	0.1
83.07392	0.2
88.07637	8.0
94.72710	0.2
98.09704	1.3
100.07600	0.3
101.08411	0.5
116.10739	100.0
117.11054	0.6
125.57684	0.1
127.00060	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02379	6.4
53.03954	75.8
55.01868	3.2
62.88935	1.7
69.03436	8.9
69.28570	12.4
69.29004	6.1
70.06589	6.2
72.08154	6.3
76.93369	4.3
77.03935	14.0
81.03416	7.6
82.06576	2.7
85.19910	1.7
87.04474	26.9
91.05488	35.5
92.05828	4.2
95.04978	92.1
98.20695	4.3
100.07618	10.2
105.04517	26.0
114.95812	2.2
116.05804	10.3
117.07031	10.2
118.06563	100.0
118.07376	9.6
118.08641	3.4
119.08591	25.5
139.54936	2.2
139.58453	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01606	2.9
51.02380	8.5
53.03951	71.4
55.01862	3.5
62.86046	1.1
69.03432	8.8
70.06587	3.9
70.87431	2.9
71.04982	1.3
72.08158	8.4
76.93359	2.1
77.03934	11.5
81.03415	6.3
82.06600	1.4
82.52914	1.1
82.90349	1.0
87.04477	27.8
91.05483	16.0
95.04972	88.8
100.07617	10.9
104.06258	2.3
105.04522	27.3
116.05771	3.4
117.07057	4.2
118.06556	100.0
118.07339	6.1
118.08602	6.2
119.06873	1.4
119.08595	10.6
119.96268	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62229	0.1
52.83593	0.1
56.49413	0.1
57.03615	0.1
57.05826	0.3
58.06603	5.4
68.05037	0.3
70.06596	100.0
70.24619	0.4
71.04990	0.3
71.06922	0.5
83.07421	0.2
88.07639	4.9
91.35429	0.1
94.95630	0.1
98.09713	0.8
98.21470	0.1
100.07623	0.1
101.08365	0.3
106.81932	0.1
116.07102	9.4
116.10738	64.0
118.37834	0.1
131.24348	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	116.0711
Annotation	L-Proline
Peak:m/z	Relative Intensity
57.05817	0.4
58.06602	5.3
67.05109	0.1
68.05012	0.2
70.06595	100.0
71.05013	0.3
71.06927	0.6
71.23755	0.1
71.24080	0.2
88.07634	4.6
98.09691	0.7
100.07662	0.2
101.08393	0.4
105.28976	0.1
116.07102	9.4
116.10735	65.9
117.11076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
77.99656	0.2
78.83426	0.2
79.05454	0.3
82.57526	0.2
129.91318	0.3
311.25650	0.2
396.11926	0.5
397.12802	1.0
398.13760	0.4
409.13318	0.4
410.13669	1.1
411.14511	3.7
412.15424	2.7
413.16089	1.4
423.14499	1.0
424.11029	0.9
424.15298	1.7
425.16306	7.1
426.16840	5.2
427.17746	1.4
428.18460	1.0
437.12384	1.0
438.12152	2.6
438.17615	0.8
439.13449	9.4
440.19101	3.4
441.19308	22.6
442.19583	2.8
451.13901	0.9
452.14249	2.7
453.15274	10.6
454.15793	3.6
455.21448	0.3
456.18179	0.3
457.15182	0.6
459.20227	0.3
463.13977	0.6
465.15631	0.7
466.16040	0.8
467.17200	18.7
468.17838	11.3
469.18857	8.9
470.18826	0.8
471.16959	0.6
472.17441	0.3
477.15582	0.6
478.15955	0.5
479.16986	0.6
480.14975	0.9
481.14780	11.8
482.15118	3.0
483.15753	0.5
485.18286	0.6
494.16895	0.5
495.16473	12.8
496.16995	22.1
497.17688	3.1
498.19135	0.6
499.20377	0.5
508.19147	0.7
509.18286	1.7
510.19522	0.4
512.20361	0.7
513.17438	0.4
514.23029	1.6
522.18073	0.5
523.20050	1.3
527.22534	1.8
528.19318	0.7
529.24304	0.3
536.18835	0.8
537.19397	1.6
538.17889	0.6
540.20215	0.4
542.21759	0.6
545.23877	0.3
555.22455	18.5
556.22809	2.2
568.19147	0.6
573.23694	0.5
583.21930	58.1
584.22186	6.7
585.22095	0.3
586.20215	0.6
587.25092	0.9
599.21771	0.6
600.21527	0.7
611.21436	1.4
612.23376	0.3
614.23584	0.5
615.24414	5.2
642.12195	0.4
642.23236	15.4
643.23877	100.0
644.24036	8.6
645.24341	0.5
646.24066	0.3
666.21838	0.4
717.68701	0.3
744.27069	0.3
843.65765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
54.27870	0.1
54.93840	1.4
55.01873	0.6
55.05502	0.2
56.05033	0.2
56.96566	2.2
57.03432	1.0
58.99867	0.3
59.52180	0.4
65.52175	0.2
67.01884	0.4
67.05503	0.7
68.02673	0.2
68.52728	0.2
69.03436	0.8
70.06591	0.5
70.70866	0.1
70.99857	0.3
71.04972	0.1
71.09438	0.3
71.94103	100.0
71.95225	3.9
72.52988	0.2
72.93790	5.0
73.02941	0.3
73.95660	0.2
77.00901	0.6
78.52971	0.7
79.05518	0.3
80.52734	0.2
81.03416	0.5
82.01445	0.5
84.52988	0.2
85.02905	0.4
85.53728	0.2
85.67437	0.2
85.95663	0.4
86.52724	0.3
86.99364	0.2
89.95144	8.9
90.94820	1.5
92.02653	0.2
93.01891	0.2
95.01328	0.3
95.04984	0.3
96.00880	0.2
96.04494	0.2
99.03716	0.2
99.53512	0.3
100.02487	3.0
101.00900	0.8
102.02336	0.4
103.02441	0.2
103.96806	0.2
105.00391	0.3
107.96186	0.8
109.02875	0.2
111.02937	1.0
112.96719	4.1
112.97443	0.3
113.00902	0.5
113.01582	0.2
113.02377	4.5
113.03534	0.4
113.04249	0.2
113.06036	0.4
113.07154	0.3
113.96417	0.3
114.04034	0.2
114.09226	0.2
114.56156	0.2
115.02438	0.8
118.01189	0.2
118.03529	1.6
119.01929	3.4
119.02707	0.3
119.03719	0.2
120.03342	0.3
121.03555	0.2
129.04016	0.2
130.97766	1.6
131.00276	0.2
131.01923	2.1
132.05099	0.3
133.03496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1116.7563
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03934	3.1
79.05495	81.3
80.05847	2.0
81.03427	15.6
81.07058	70.5
83.04996	8.4
83.08632	13.5
85.02908	7.4
85.06553	3.7
91.05484	100.0
93.07045	74.3
95.04970	18.1
95.08610	51.6
97.02893	4.1
97.06525	12.4
97.10167	6.1
98.21446	3.3
99.04471	2.6
99.08130	2.8
103.05479	5.0
105.04516	3.1
105.07034	82.9
106.07361	2.0
107.04949	11.2
107.08601	43.7
107.99333	1.6
109.02884	7.2
109.06522	8.0
109.10147	19.4
109.72448	1.7
110.92378	1.4
111.04462	3.7
111.08072	4.6
115.05458	9.9
116.06269	3.0
117.07022	36.8
119.08591	57.7
121.06521	4.4
121.10151	26.8
123.08096	4.5
123.11732	5.0
125.09630	3.4
127.03910	8.2
128.06236	13.1
129.07010	24.7
130.07814	3.2
131.08566	46.3
133.06519	3.8
133.10136	44.0
135.08069	8.5
135.11685	22.5
137.09651	4.8
141.06978	7.6
142.07793	7.4
143.08585	22.3
144.09322	1.9
145.06480	5.5
145.10133	36.2
147.08037	4.1
147.11705	24.8
149.09621	6.2
149.13260	14.1
151.07523	2.1
151.11176	3.3
153.07002	2.6
154.07811	1.9
155.08574	14.4
156.09402	3.3
157.10123	22.1
159.08052	4.4
159.11693	28.1
159.12872	2.8
161.09578	4.5
161.13252	15.8
163.11227	5.6
163.14865	2.4
165.07065	2.1
166.07811	2.2
167.08557	5.8
168.09348	2.6
169.10146	13.8
171.08009	2.5
171.11700	16.5
173.09596	2.7
173.13249	14.5
175.11249	4.2
175.14864	3.7
177.12744	4.4
178.07838	2.3
179.08528	3.7
181.10118	9.1
181.12245	5.0
183.11694	14.2
185.13246	13.3
187.11223	4.5
187.14822	7.9
189.12794	2.6
189.16446	1.8
195.11702	10.4
195.13667	3.7
197.13297	8.6
199.11177	2.0
199.14865	9.3
201.12714	2.2
201.16400	2.7
203.14276	2.9
205.10072	2.3
207.11746	4.7
207.13748	2.7
209.13350	8.4
211.14874	5.4
213.16443	4.9
215.14188	2.0
217.10167	1.8
221.13300	4.3
223.14835	4.6
225.12836	2.1
225.16382	1.9
227.17960	1.8
231.21133	2.6
233.13338	2.7
237.16360	3.9
239.18016	5.2
241.19489	7.7
247.11151	2.1
247.20653	2.4
255.15865	4.4
257.19052	9.0
259.20599	20.4
267.15851	2.0
269.17468	6.0
271.20413	2.0
275.20059	22.5
276.20395	2.6
277.21680	2.0
285.14902	2.6
285.22223	2.1
293.21359	1.8
299.20197	1.9
301.21527	3.2
303.15735	3.5
311.23679	1.8
313.21811	2.5
313.25684	1.8
315.23309	2.6
317.20853	2.1
321.16925	3.1
331.22717	1.9
333.24326	20.0
335.25885	2.3
339.18137	7.8
349.23932	3.0
367.22302	4.1
377.27969	1.8
385.23587	5.0
402.23953	1.9
403.24905	6.2
419.24161	4.9
421.25754	3.8
421.30923	2.8
431.29105	2.3
435.32498	4.0
437.25436	2.0
513.35907	6.8
515.38330	2.3
517.40045	3.4
527.37579	13.6
545.37689	3.0
607.43793	11.6
609.45154	13.4
625.44751	12.1
947.61810	2.4
1027.67542	7.6
1045.68555	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.23746	0.4
50.24650	0.5
51.02389	1.1
53.03951	10.4
55.01875	1.2
55.05517	11.4
58.91394	0.6
64.98676	1.0
65.03939	4.7
65.51697	0.6
66.04704	0.6
67.05508	100.0
69.07072	6.8
69.83680	2.7
69.84101	0.9
74.87187	0.6
79.05495	17.8
80.06260	1.0
81.03424	14.6
81.07063	35.9
81.93950	0.6
82.07425	0.7
91.05482	3.0
94.04170	2.0
94.07840	1.2
107.05008	0.5
107.08583	4.6
109.02898	3.7
109.06526	20.6
109.07669	0.9
109.10161	50.9
110.06079	1.5
110.10558	0.8
120.94167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0718
Annotation	Brunfelsamidine
Peak:m/z	Relative Intensity
54.04283	1.2
55.01880	1.3
55.05508	2.3
56.04790	1.1
56.05041	19.9
56.96557	3.0
59.46092	1.0
66.03484	1.2
66.51157	1.3
67.05516	0.8
68.05020	2.5
68.95300	2.2
69.04550	1.5
69.05805	0.9
70.06577	2.5
71.02995	0.9
71.53681	0.9
72.08154	1.5
75.51682	2.5
78.01939	3.9
81.03386	1.1
81.04546	8.4
82.01443	4.5
82.03752	1.8
82.05332	13.4
82.06595	5.8
83.06110	100.0
86.99285	1.0
87.00461	1.0
87.02470	31.4
87.53452	1.2
93.04536	58.4
95.53191	1.1
96.03005	5.5
96.04461	1.4
96.53162	1.0
96.53992	4.0
98.53244	1.2
99.04272	1.4
100.02495	12.2
105.53682	1.2
108.04779	3.4
109.04015	2.4
110.06039	31.4
110.07161	81.0
110.09679	1.8
111.04430	1.6
111.05576	9.5
118.03516	6.5
120.45995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0444
Annotation	Resorcinol
Peak:m/z	Relative Intensity
53.03949	2.0
55.01878	1.9
55.05515	36.6
56.05824	0.3
57.93565	0.8
59.95089	0.2
65.03942	4.2
67.05512	0.7
68.05030	1.6
69.03431	1.1
69.07077	1.7
70.06609	0.3
70.79424	0.6
70.79760	0.3
70.94255	0.5
71.01360	0.4
78.99958	0.7
81.07057	0.3
82.04205	0.3
82.05336	0.9
83.04985	24.2
83.06037	1.4
84.04484	0.3
85.02901	0.5
88.00488	17.7
88.50683	0.4
88.95317	0.4
89.00237	1.4
90.50713	0.4
91.05498	0.7
93.03410	1.1
93.07037	0.9
94.02941	0.4
95.01273	0.5
97.01009	14.1
97.51180	0.7
98.00769	0.8
99.51284	3.0
100.51129	0.3
104.01799	0.3
106.01530	0.8
108.51793	0.7
111.04446	100.0
111.08060	1.9
111.09208	0.7
112.04003	0.7
112.04820	0.8
112.07631	0.8
115.96445	7.9
116.97253	2.5
117.95941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02386	0.7
53.00322	0.4
53.03952	11.3
54.04297	0.4
55.01876	5.9
55.05513	6.1
57.90419	0.3
62.99077	0.4
64.98647	2.8
65.03945	6.1
66.04729	1.5
67.05508	58.1
69.07077	3.1
70.90039	0.7
70.90376	0.4
71.07934	0.3
79.05497	42.3
80.06268	0.9
81.03423	14.1
81.07060	48.2
82.07395	0.5
86.00701	0.4
86.50671	0.4
87.00490	0.5
91.05486	13.4
94.04201	4.2
94.07863	0.8
95.04958	1.3
105.04506	0.4
107.04936	1.3
107.08577	2.1
109.02879	3.8
109.06523	100.0
109.10165	24.9
110.06037	1.7
110.06860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55807	0.4
51.02388	0.4
52.92653	0.4
53.00312	0.5
53.03947	10.6
54.61093	0.4
55.01879	1.7
55.05513	10.5
64.98662	1.9
65.03943	6.1
67.05506	100.0
68.05840	1.0
69.07072	5.4
69.85117	1.8
71.52114	0.4
79.05495	20.2
80.06271	1.1
81.03420	14.3
81.07058	36.0
82.06567	0.8
91.05482	3.8
92.05846	0.7
92.31259	0.5
94.04212	2.4
94.07831	1.1
95.04967	0.8
98.20779	0.5
107.04964	0.6
107.08587	3.3
109.02884	4.0
109.06522	25.8
109.10160	44.2
110.06060	2.4
110.06754	0.5
110.10461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02372	1.2
53.00293	0.4
53.03952	22.9
55.01875	2.4
55.05301	0.6
55.05519	6.7
57.56707	0.5
64.98656	8.4
65.03954	4.6
66.04708	1.3
67.05509	61.0
69.03426	1.2
69.07085	4.2
70.83637	1.6
77.43079	0.5
79.05502	27.9
80.05816	0.7
80.06281	1.2
81.03424	37.8
81.05349	0.5
81.07063	33.0
82.06594	1.0
87.00494	0.5
91.05491	4.5
92.05024	0.6
92.05782	0.5
94.04200	4.1
94.07826	0.6
95.04955	0.9
107.04947	1.3
107.08591	1.9
109.02890	8.7
109.06525	100.0
109.10161	27.0
110.06051	3.9
110.06736	0.8
126.06704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.5902
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04483	4.5
77.03909	0.3
79.05494	4.4
81.03416	1.0
81.07057	15.3
83.04984	8.7
83.08628	3.8
85.02905	55.0
86.03249	0.4
87.04461	1.5
91.03960	3.6
91.05469	4.5
93.07044	9.0
95.01325	3.5
95.04994	0.9
95.08605	31.2
97.02888	5.0
97.06551	0.4
97.10163	3.3
99.00841	0.3
99.04454	1.4
101.01712	0.7
101.02380	12.7
101.06018	0.8
103.03954	1.0
105.04546	0.4
105.07031	10.8
106.07374	0.3
107.08593	16.4
109.02879	1.3
109.06509	0.5
109.10157	19.2
111.03700	0.5
111.04448	9.0
111.11713	1.3
112.82482	0.3
113.02377	0.6
115.03912	0.5
117.07017	1.1
118.17331	0.3
119.08583	15.1
121.10141	15.4
123.11719	10.6
127.03918	33.8
129.05481	18.2
129.18817	0.3
131.08565	3.1
133.10127	12.8
135.11696	11.8
137.13264	7.3
141.01828	13.7
143.08560	1.3
145.04959	28.2
145.10114	6.1
146.08073	0.4
146.10683	0.3
147.06519	10.8
147.11690	9.2
149.13254	8.6
151.03943	0.4
151.14816	0.9
157.10127	2.1
158.10953	0.4
159.02896	4.9
159.11684	7.2
160.12466	0.6
161.13248	8.7
162.13620	0.3
163.06020	9.1
163.14818	5.8
164.09172	0.9
165.01810	0.4
165.07559	0.7
171.06563	0.6
171.11685	2.2
173.13269	5.3
175.14832	6.2
177.03990	0.8
177.16388	10.9
179.17920	1.6
185.13252	1.4
186.13950	0.4
187.14844	4.6
189.16377	10.4
190.16803	0.3
191.17950	11.0
199.06171	0.3
199.14787	1.9
201.16385	11.2
203.17964	13.5
205.19537	2.7
207.17458	1.8
213.07512	0.5
213.16449	1.8
215.17960	6.1
217.19519	12.0
218.19904	0.5
219.21106	2.0
227.17932	2.9
229.19507	8.3
231.21082	3.4
237.07452	0.4
241.19518	1.9
243.21078	3.4
245.22685	1.7
255.08598	2.4
255.21088	4.7
257.22607	4.8
258.22952	0.4
269.06601	1.3
269.22614	6.0
271.24188	2.1
272.63022	0.4
273.09763	1.8
283.24261	1.9
285.25717	0.6
287.07645	2.0
291.10715	0.5
295.24069	0.4
297.25778	2.2
303.07300	0.6
305.08676	3.6
309.11777	3.3
309.25836	0.7
311.27347	0.5
321.08115	0.9
323.09708	1.3
323.27454	0.5
337.28995	0.5
339.09290	1.2
351.30359	0.9
365.31934	0.5
383.20541	0.6
407.36713	100.0
408.37073	4.1
423.36118	0.6
424.36459	0.7
425.37711	5.3
551.40558	1.0
601.40771	1.4
932.97723	0.4
966.51636	0.4
1055.64575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.5902
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04483	4.5
77.03909	0.3
79.05494	4.4
81.03416	1.0
81.07057	15.3
83.04984	8.7
83.08628	3.8
85.02905	55.0
86.03249	0.4
87.04461	1.5
91.03960	3.6
91.05469	4.5
93.07044	9.0
95.01325	3.5
95.04994	0.9
95.08605	31.2
97.02888	5.0
97.06551	0.4
97.10163	3.3
99.00841	0.3
99.04454	1.4
101.01712	0.7
101.02380	12.7
101.06018	0.8
103.03954	1.0
105.04546	0.4
105.07031	10.8
106.07374	0.3
107.08593	16.4
109.02879	1.3
109.06509	0.5
109.10157	19.2
111.03700	0.5
111.04448	9.0
111.11713	1.3
112.82482	0.3
113.02377	0.6
115.03912	0.5
117.07017	1.1
118.17331	0.3
119.08583	15.1
121.10141	15.4
123.11719	10.6
127.03918	33.8
129.05481	18.2
129.18817	0.3
131.08565	3.1
133.10127	12.8
135.11696	11.8
137.13264	7.3
141.01828	13.7
143.08560	1.3
145.04959	28.2
145.10114	6.1
146.08073	0.4
146.10683	0.3
147.06519	10.8
147.11690	9.2
149.13254	8.6
151.03943	0.4
151.14816	0.9
157.10127	2.1
158.10953	0.4
159.02896	4.9
159.11684	7.2
160.12466	0.6
161.13248	8.7
162.13620	0.3
163.06020	9.1
163.14818	5.8
164.09172	0.9
165.01810	0.4
165.07559	0.7
171.06563	0.6
171.11685	2.2
173.13269	5.3
175.14832	6.2
177.03990	0.8
177.16388	10.9
179.17920	1.6
185.13252	1.4
186.13950	0.4
187.14844	4.6
189.16377	10.4
190.16803	0.3
191.17950	11.0
199.06171	0.3
199.14787	1.9
201.16385	11.2
203.17964	13.5
205.19537	2.7
207.17458	1.8
213.07512	0.5
213.16449	1.8
215.17960	6.1
217.19519	12.0
218.19904	0.5
219.21106	2.0
227.17932	2.9
229.19507	8.3
231.21082	3.4
237.07452	0.4
241.19518	1.9
243.21078	3.4
245.22685	1.7
255.08598	2.4
255.21088	4.7
257.22607	4.8
258.22952	0.4
269.06601	1.3
269.22614	6.0
271.24188	2.1
272.63022	0.4
273.09763	1.8
283.24261	1.9
285.25717	0.6
287.07645	2.0
291.10715	0.5
295.24069	0.4
297.25778	2.2
303.07300	0.6
305.08676	3.6
309.11777	3.3
309.25836	0.7
311.27347	0.5
321.08115	0.9
323.09708	1.3
323.27454	0.5
337.28995	0.5
339.09290	1.2
351.30359	0.9
365.31934	0.5
383.20541	0.6
407.36713	100.0
408.37073	4.1
423.36118	0.6
424.36459	0.7
425.37711	5.3
551.40558	1.0
601.40771	1.4
932.97723	0.4
966.51636	0.4
1055.64575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.14637	0.3
51.02370	0.4
53.03954	3.0
55.01878	1.0
62.99078	27.2
63.99874	0.6
65.03944	13.3
67.05513	2.8
70.05907	0.3
71.32543	0.5
77.03918	0.7
78.84348	0.3
79.05497	19.2
81.03439	0.4
91.05483	100.0
92.05768	0.4
92.06290	2.2
95.04980	4.4
103.05463	0.6
105.04527	1.2
105.07034	30.8
106.04175	1.1
106.07399	0.3
107.01656	1.4
107.04958	22.0
107.08597	31.9
108.08102	0.8
108.08870	0.4
109.06521	14.0
119.06079	6.6
124.05212	0.9
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
51.02385	1.2
53.03952	9.1
55.01878	2.6
61.01150	0.7
62.99081	58.1
63.99861	1.2
65.03944	14.4
67.05497	3.8
70.95029	1.4
77.03911	3.1
79.05500	41.8
80.05007	1.0
81.03429	1.5
91.05486	100.0
92.05848	1.0
92.06279	2.9
94.53365	0.7
95.04974	14.0
98.06032	0.5
103.05474	0.8
105.04527	4.2
105.07040	29.4
107.01674	3.4
107.04963	64.6
107.08600	31.6
108.08149	1.1
109.06532	12.6
119.06095	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01600	0.4
51.02385	0.8
53.03953	8.7
53.33059	0.4
55.01868	2.3
56.96296	0.6
56.96571	8.4
59.08872	0.4
61.01160	0.7
62.99083	36.4
63.99829	0.5
64.86574	0.4
64.95550	1.1
65.03939	0.5
65.49500	0.5
65.66801	0.5
67.05479	0.5
69.03436	1.7
69.34515	0.6
70.06612	0.6
70.48022	0.4
71.05009	0.7
71.06125	0.6
71.54352	0.8
72.08148	0.5
73.37424	0.5
74.50042	3.4
74.51832	0.6
76.25382	0.5
77.03530	0.5
77.03931	2.4
79.05498	13.4
80.05046	0.6
81.03425	1.6
82.01465	1.1
83.00761	0.8
83.50552	5.8
84.01571	1.4
90.01428	0.5
91.05480	3.7
92.51067	0.9
95.04984	12.2
95.52371	1.4
100.02482	3.0
102.02242	0.9
104.52881	4.2
105.04523	3.3
105.07042	0.5
106.06596	0.6
106.96617	0.6
107.01669	1.9
107.04964	100.0
107.08591	1.0
108.04527	0.6
108.05289	0.9
108.08120	0.8
109.76553	0.5
110.99948	0.5
113.53371	0.7
118.03551	1.0
119.01900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01598	0.5
51.02379	1.8
53.03952	11.4
55.01869	0.7
55.29825	0.3
56.49572	0.4
61.01157	0.5
65.03938	1.0
65.09487	0.4
71.10062	0.9
77.03940	3.2
79.05499	46.4
81.03429	1.1
95.04980	16.5
98.16341	0.5
103.05479	30.4
105.04560	5.1
105.07040	100.0
106.07372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04090	0.4
75.04483	3.7
75.56850	0.2
77.03934	0.5
79.05046	0.4
79.05496	5.9
79.05962	0.4
81.03411	0.9
81.07061	16.2
82.07414	0.2
83.01342	0.5
83.04487	0.2
83.04984	6.0
83.08620	3.1
85.02908	44.0
86.03233	0.4
87.04478	0.6
88.67323	0.2
89.62476	0.2
91.03978	2.2
91.04481	0.3
91.05483	6.5
93.07047	13.9
94.02076	0.2
94.07369	0.2
95.01333	9.1
95.01946	0.5
95.04996	1.4
95.08610	34.0
97.02899	4.5
97.06528	0.5
97.10175	2.6
98.20650	0.4
99.00810	0.9
99.04459	1.1
99.08081	0.4
101.02384	17.6
101.06010	0.3
103.03947	1.3
103.05466	0.5
104.06168	0.2
105.07034	15.7
107.04937	0.3
107.08598	22.7
109.02869	1.2
109.06533	0.8
109.10161	24.4
110.10534	0.3
111.04447	5.2
111.08087	4.5
111.11732	1.5
113.02381	1.3
115.03990	0.3
115.05473	0.5
117.07008	1.6
119.08583	18.9
121.10147	18.8
122.10517	0.2
123.00822	0.4
123.04457	0.4
123.08068	0.6
123.11713	9.3
125.05993	0.2
125.09607	0.3
125.13255	0.3
127.03922	39.0
128.04242	0.4
128.06233	0.3
129.05487	9.6
129.06876	1.1
130.07764	0.5
131.03426	0.7
131.08572	5.5
133.10139	18.1
135.11697	13.2
137.09665	0.4
137.13251	2.7
139.03966	0.3
139.11189	1.2
141.01833	19.9
141.06989	0.2
142.07799	0.5
143.08560	2.7
144.09338	0.5
145.04967	44.2
145.10120	11.1
146.05339	0.4
146.10841	0.2
147.06523	5.5
147.11693	14.5
148.11986	0.2
149.09608	0.2
149.13263	10.6
151.11188	1.1
151.14798	0.7
153.05467	0.2
153.12715	0.5
155.08540	0.4
156.09325	0.4
157.05075	0.3
157.10139	3.1
158.10866	0.5
159.02888	3.6
159.11697	13.0
161.13260	13.7
162.13640	0.2
163.06029	4.2
163.11220	0.4
163.14828	7.4
164.84479	0.3
165.07544	0.4
165.12756	0.9
165.16428	0.3
169.10167	0.7
170.10950	0.4
171.06531	0.4
171.11696	3.0
172.12459	0.3
173.13268	8.8
174.14032	0.3
175.14835	10.2
177.03998	0.6
177.12863	0.4
177.16394	11.5
179.14357	0.5
179.17921	2.1
183.11717	0.8
185.13280	3.0
186.14084	0.3
187.14825	7.4
188.15419	0.4
189.16386	11.0
190.16716	0.5
191.14352	0.7
191.17946	6.0
193.15866	1.6
195.17465	0.4
197.13246	1.2
199.14830	3.7
201.16393	17.0
202.16745	0.3
203.14200	0.6
203.17961	15.6
204.18335	0.2
205.15894	5.6
205.19507	3.6
207.17416	2.1
209.13333	0.3
211.14828	0.7
213.16408	3.7
214.17073	0.3
214.23279	0.2
215.17964	7.3
217.16107	3.1
217.19519	14.7
219.17464	2.0
219.21049	1.6
221.19009	0.3
223.16948	0.4
225.16386	0.7
226.17119	0.3
227.17963	4.6
228.18777	0.4
229.19513	6.7
231.17395	1.2
231.21077	2.4
233.19086	1.2
235.20651	0.9
239.17815	1.0
241.19528	2.8
243.21086	4.8
245.19040	1.9
245.22729	0.8
247.20592	0.8
251.05473	0.2
253.19493	1.3
255.08592	1.1
255.21120	3.8
257.22659	4.1
259.08267	0.3
259.20615	1.1
259.24112	0.4
261.22162	0.7
267.21030	1.4
269.06604	0.8
269.22662	4.1
271.20602	0.4
271.24231	1.5
273.09799	0.7
273.25848	0.3
281.22617	1.1
283.24207	1.9
285.06082	0.3
285.22202	0.9
285.25745	0.7
287.07651	0.8
291.10696	0.3
293.22855	0.2
295.24182	1.7
297.25766	1.8
299.23856	0.4
299.27209	0.2
305.08682	2.3
309.11740	1.2
309.25912	0.6
311.27454	0.9
313.25278	1.2
321.08417	0.4
321.25873	0.3
323.09827	0.5
323.27365	0.4
325.29141	0.3
335.27310	0.6
337.28925	0.3
339.09460	0.4
349.29236	0.3
363.30472	0.6
365.19684	0.5
365.32034	6.6
366.32492	0.3
367.33487	0.2
393.35248	1.4
395.36862	0.6
403.33582	0.4
405.35178	25.8
406.35196	1.2
407.36850	0.6
421.34482	0.4
423.36218	100.0
424.36554	4.1
441.37286	3.9
451.35309	0.5
455.95212	0.2
537.39539	0.5
549.39191	1.5
563.37823	0.3
567.40424	4.2
581.38403	9.6
582.38086	0.5
599.39386	6.5
600.39355	0.4
663.91522	0.2
725.41949	0.8
845.68384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.5
51.02379	1.4
53.03953	15.6
55.01859	0.6
60.04527	0.8
62.99073	0.5
65.03947	1.6
68.95513	0.4
69.80424	2.6
73.82700	0.5
77.03928	3.0
79.05499	51.3
81.03411	1.4
85.66663	0.5
86.45679	0.4
87.00849	0.9
92.28209	0.4
95.04975	20.5
98.20737	0.6
102.47643	0.5
103.05476	28.2
104.06301	0.6
105.03465	2.6
105.04539	7.3
105.07037	100.0
106.07378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01607	0.8
51.02375	2.1
53.03951	14.9
60.04531	0.9
61.01140	0.7
62.99070	0.6
65.03939	1.2
65.57348	0.4
71.54601	0.4
74.12247	0.4
77.03924	3.5
79.05498	48.0
80.05843	0.5
81.03419	1.4
87.00828	1.9
95.04973	19.2
103.05475	29.3
105.03450	2.8
105.04539	7.3
105.07035	100.0
106.07383	1.2
116.51032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.8
51.02377	1.8
53.03954	13.5
56.49387	0.6
65.03939	0.9
68.30263	0.5
69.55816	2.8
69.56241	0.9
77.03928	3.4
79.05498	49.7
81.03430	1.4
87.00810	0.6
95.04976	18.9
103.05474	32.3
105.03403	2.0
105.04527	6.5
105.07037	100.0
106.07375	1.4
110.98042	0.5
120.82008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1040.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08155	0.5
73.02914	4.8
75.04486	2.9
79.05492	5.0
81.03424	1.6
81.07061	17.3
83.04987	8.5
83.08625	4.8
85.02909	44.2
85.10164	0.4
86.03236	0.5
87.04468	1.2
91.05476	4.6
93.07049	10.7
95.01332	2.6
95.04983	1.3
95.08611	34.2
96.08936	0.6
97.02896	14.0
97.10182	2.7
99.04467	2.1
101.02385	11.6
103.03951	0.4
105.06310	0.4
105.07034	10.7
107.08598	19.2
109.02881	1.6
109.06443	0.7
109.10161	21.0
111.04447	8.6
111.11715	1.8
113.02350	1.3
113.06023	0.7
115.03936	6.8
117.05466	1.0
117.07042	1.1
119.08586	16.0
121.10149	17.8
122.10464	0.7
123.04425	0.5
123.11708	11.4
127.03925	32.9
129.05481	10.7
129.06955	0.8
129.45442	0.4
131.08603	2.5
131.94218	0.4
133.04976	1.1
133.10138	12.9
135.11702	13.2
137.13258	6.3
139.03938	0.9
141.01833	7.9
143.08580	1.4
145.04965	24.0
145.10124	5.6
146.08095	0.6
147.06528	5.6
147.11697	9.7
149.13269	9.9
151.14832	1.3
157.04982	1.3
157.10156	2.1
158.10905	0.5
159.02898	3.0
159.11694	7.7
161.13257	8.0
163.06035	1.3
163.14827	8.4
164.09195	1.1
171.06619	0.5
171.11728	1.8
173.04446	0.6
173.13281	5.3
175.14836	6.3
177.03920	0.5
177.16394	11.7
179.07072	0.5
179.17989	1.5
185.13283	1.3
187.14818	5.5
189.16379	9.8
191.17960	13.4
197.13358	0.5
199.06099	0.8
199.14861	1.4
201.16403	12.2
203.17966	16.4
205.19563	3.3
207.17427	0.6
213.07617	0.6
213.16367	1.9
215.17981	6.5
217.07083	1.8
217.19531	12.6
219.04942	0.5
219.21147	2.1
225.07628	5.5
227.17982	2.6
229.19533	8.2
231.21063	4.7
241.19485	1.8
243.08620	2.9
243.21089	3.1
245.22543	2.0
250.18149	0.4
255.04990	1.3
255.21111	4.5
257.22662	4.0
259.08286	0.5
261.09689	1.3
269.06638	0.9
269.22638	5.7
271.24240	2.1
273.06033	1.5
279.10709	6.0
283.24176	1.7
285.25861	0.7
287.07541	1.7
291.07071	0.9
297.25909	2.3
305.08688	3.3
309.08353	0.8
309.25757	0.5
311.27426	0.8
323.09869	0.8
323.27274	0.5
337.28958	1.1
351.30505	0.5
365.31882	0.7
407.36734	100.0
408.37140	4.1
425.37772	4.8
551.41052	0.6
1040.54700	0.9
1067.31812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	3.4
53.03952	27.0
55.01867	1.3
55.05511	2.4
56.96543	0.7
57.03440	1.7
57.05358	0.6
57.76948	0.6
60.02122	1.0
60.34365	0.5
60.95847	0.8
70.26688	1.1
70.27090	1.1
77.03927	5.4
81.03433	2.8
84.09201	0.6
84.96903	0.6
85.02904	1.6
86.03278	1.0
86.09721	8.5
95.04975	34.6
97.52145	0.6
102.04695	4.8
102.96844	0.5
103.04054	3.4
103.05476	100.0
104.05773	1.2
105.04513	9.9
118.06519	1.0
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
53.03941	2.2
55.01870	1.7
55.05260	0.9
55.05513	10.9
56.05030	1.8
56.96567	3.3
57.03437	1.3
58.02955	0.6
58.99857	1.4
59.05012	5.8
59.06116	1.4
59.93110	0.8
59.99950	1.2
60.04520	0.8
65.52181	0.7
68.02632	0.7
69.03435	0.7
69.85748	1.7
70.03770	3.4
70.99858	1.0
71.01347	2.3
71.04989	1.9
72.08154	0.9
73.02925	3.1
74.06088	1.0
77.00912	2.4
82.01456	0.8
82.06573	1.3
82.99835	1.0
83.01498	2.5
83.04971	4.7
83.06930	1.4
84.01201	0.6
84.04524	2.6
84.08145	6.2
85.02909	4.0
85.06561	0.7
85.07780	0.5
89.00292	0.9
89.00872	1.0
95.01942	0.9
100.02480	3.1
101.00888	24.7
101.02543	12.1
101.03287	0.7
101.03454	0.5
101.06046	3.5
101.07295	1.1
101.07943	7.8
101.11596	9.4
102.02258	1.5
102.05537	0.7
102.09186	6.6
103.02459	0.7
118.03548	1.5
119.01929	100.0
119.03641	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01876	1.8
55.05516	12.0
56.05042	1.1
56.96576	3.2
57.03434	1.4
58.02979	0.6
58.96150	0.4
58.99873	0.6
59.05006	14.2
59.06126	1.2
68.02664	0.5
69.03428	1.1
69.71661	2.6
70.03777	2.4
70.07394	0.6
70.67507	0.4
70.99854	0.7
71.01355	1.7
71.04995	2.1
72.08155	0.9
73.02917	1.7
74.06094	0.6
77.00913	1.3
78.00988	0.4
82.01456	0.9
82.06579	0.7
82.99854	1.2
83.01537	1.7
83.04994	4.3
83.06901	0.7
84.04506	1.8
84.08154	5.5
85.02899	1.9
85.06560	0.4
89.00288	0.5
89.00890	0.5
91.33199	0.4
96.97617	0.4
98.00752	0.9
98.21500	0.5
99.41962	0.4
100.02494	2.6
101.00892	23.9
101.02556	9.3
101.06036	4.5
101.07291	0.7
101.07931	5.2
101.10961	0.5
101.11590	11.3
102.00983	0.4
102.02248	1.4
102.09182	6.2
102.12846	0.4
103.02451	0.5
118.03556	1.1
119.01930	100.0
119.03641	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08953	1.7
56.96570	3.3
59.06133	1.6
65.68325	1.3
71.30931	1.7
82.08005	1.4
82.99850	3.2
83.01498	11.0
84.01198	1.6
100.02481	2.1
100.97234	1.9
101.00884	36.9
101.02556	24.9
102.02259	3.7
119.01930	100.0
119.03584	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	1002.5997
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06562	4.3
71.04987	10.9
71.56092	4.3
72.08176	3.2
73.02913	6.3
79.05498	97.2
79.48419	2.5
81.03431	15.9
81.07064	91.9
83.04972	10.6
83.08630	25.0
85.02903	16.2
85.06542	6.2
91.03918	4.9
91.05486	100.0
93.06474	5.4
93.07052	98.7
95.04980	20.7
95.08611	64.7
97.02892	10.6
97.06544	16.7
97.07059	2.9
97.10187	13.8
99.04425	3.4
99.08111	3.8
105.07035	99.8
107.04977	14.4
107.08601	57.1
109.06503	8.2
109.10174	28.4
111.08067	7.8
115.05437	4.9
116.06205	3.0
117.07025	41.1
119.04902	3.1
119.08588	73.0
121.06533	2.9
121.10147	34.5
123.08056	8.9
123.11681	6.8
125.09626	6.1
127.03904	7.8
128.06238	6.7
129.07001	28.0
130.07823	3.6
131.08572	52.7
132.08043	3.4
133.06468	4.4
133.10127	53.4
135.08025	7.8
135.11700	25.3
137.09665	4.8
137.13205	3.6
141.07068	7.4
143.08569	29.9
145.06561	3.3
145.10132	40.0
147.08057	8.3
147.11700	37.0
149.09589	11.3
149.13293	14.6
151.11159	4.2
151.66577	3.3
155.08598	14.7
157.10136	21.9
159.11691	31.1
161.09573	4.5
161.13266	18.3
163.11157	11.9
165.12631	4.4
167.08568	6.3
169.10133	20.7
171.11626	18.6
173.04478	4.5
173.13272	18.7
175.14841	9.4
177.12758	4.1
181.10201	5.5
183.11655	15.8
185.13287	19.7
187.14807	8.1
195.11661	8.0
195.13759	3.9
197.13249	11.6
199.14806	7.6
201.16359	4.0
207.11794	3.1
209.13319	8.5
211.14940	5.7
213.16434	6.0
221.13303	3.7
221.15395	3.7
223.14850	4.3
225.16269	4.4
225.48404	3.6
227.12794	6.4
229.14374	4.8
233.13330	4.4
237.16504	4.7
239.17851	6.0
241.19556	15.4
255.15916	5.8
257.19009	9.8
259.20596	40.2
261.22128	4.2
267.15820	3.3
269.17468	12.4
273.18640	4.0
275.20114	22.4
277.21603	4.0
282.21658	2.9
291.19556	3.6
311.20407	3.3
313.21674	4.6
315.23151	5.9
333.24326	42.4
335.25751	12.1
347.22098	4.2
349.23795	18.0
365.28580	4.8
421.31259	3.3
435.32813	6.3
453.33279	6.9
471.34427	4.9
485.33115	4.0
495.34726	4.2
501.35251	4.6
509.36542	4.0
513.35736	32.6
515.37927	7.7
527.37341	54.2
531.36761	6.1
533.40033	9.0
545.38544	7.4
551.40942	4.7
594.30188	3.6
607.43585	53.0
625.44611	55.0
643.45557	4.3
689.42316	4.6
751.46753	3.6
769.49097	4.3
787.48987	3.4
1002.60773	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	998.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29171	100.0
98.08206	27.1
98.20551	40.6
106.83300	25.5
108.37598	25.6
150.80679	28.6
178.33615	25.6
179.97966	28.3
261.70306	32.4
754.81012	32.9
841.97870	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	998.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96646	100.0
98.20615	27.5
176.88548	22.9
202.29521	20.9
229.65182	19.1
443.87219	21.5
680.56781	24.3
715.18390	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	997.537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	0.7
69.13567	0.4
70.63273	0.7
70.63641	0.8
71.01383	24.0
72.99301	2.3
73.02943	5.7
75.00874	10.1
83.01049	0.3
83.01398	3.5
85.02956	17.7
85.72710	0.3
86.00086	1.5
87.00874	6.3
87.04522	2.2
87.64767	0.3
89.02444	2.3
95.01380	3.0
97.02927	0.4
99.00887	14.3
101.02445	3.3
103.03996	1.1
111.00864	0.9
112.01661	0.5
113.02458	8.5
115.00330	0.4
115.04023	1.9
125.02421	0.6
131.03513	5.2
143.03485	3.1
145.05031	0.4
157.01410	1.1
163.06140	0.6
164.86403	0.4
182.77736	0.4
190.16287	0.3
205.07156	1.6
207.60898	0.4
235.61697	0.4
264.37961	0.4
309.20511	0.4
377.94632	0.4
423.32773	0.7
431.05670	0.4
439.35922	1.8
465.37372	0.8
493.35931	0.4
631.33954	0.4
701.42786	1.4
816.84589	0.4
822.92352	0.5
921.51910	1.3
935.53644	0.8
956.33197	0.5
973.47021	0.4
979.52728	1.9
997.53748	100.0
998.54041	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	990.5922
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01348	1.2
73.71518	0.8
78.95904	100.0
80.13914	0.8
89.02431	0.9
96.96968	7.3
96.97534	1.4
98.19896	1.8
100.38800	1.0
105.37252	0.9
152.99579	23.3
169.68425	0.8
171.00641	19.6
209.11763	1.5
277.21600	1.3
279.23294	1.9
283.10083	0.8
354.26706	0.8
397.13065	0.9
402.23953	3.4
413.66098	0.9
475.38080	4.6
476.27814	93.9
476.37540	4.3
477.28217	8.2
599.24170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	1.3
69.03452	0.9
69.16473	0.4
71.01382	20.3
71.62791	0.5
72.99312	2.9
73.02948	5.3
75.00885	6.2
83.01394	3.1
83.05025	1.6
85.02950	12.6
86.00087	0.6
87.00883	7.2
87.04508	1.8
89.02431	6.0
90.97892	0.4
91.73437	0.4
93.03473	0.5
95.01382	2.9
96.42799	0.4
96.96007	0.5
97.02944	0.7
99.00888	8.2
99.04500	0.9
101.02446	8.5
103.04006	2.2
108.02136	0.5
109.02940	0.8
111.00906	0.7
112.98818	2.5
113.02444	8.0
115.04015	1.8
116.92846	0.7
119.03504	1.2
119.05016	0.6
121.02962	0.7
125.02435	1.2
131.03511	3.4
134.03716	0.8
135.04518	3.0
137.02451	0.7
139.00381	0.8
143.03494	4.6
145.02953	0.5
145.05031	0.5
149.00879	0.8
150.03238	0.7
152.01183	0.5
157.01381	0.8
161.02390	1.2
161.04541	1.7
163.04028	1.0
163.06081	1.3
165.05649	0.8
177.02017	0.4
179.03453	1.3
187.03989	0.7
193.05051	0.7
205.07098	3.7
293.03073	0.8
300.02744	0.5
375.27759	0.7
394.41528	0.4
409.30896	0.5
441.33615	0.6
471.34714	1.8
473.36374	0.9
509.36514	0.9
534.77844	0.4
541.39349	1.0
861.85822	0.6
939.50018	0.9
957.50598	100.0
958.50922	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	987.678
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38506	0.9
71.01396	0.2
80.07118	0.1
89.02447	0.2
101.02426	0.1
108.19722	0.1
131.73051	0.1
195.32419	0.1
196.23871	0.1
253.09305	0.5
277.21701	3.6
278.22128	0.2
291.19580	0.2
291.57239	0.1
371.14978	0.2
397.13721	0.2
415.31976	0.2
472.34833	0.2
473.36322	100.0
474.36664	12.0
491.37332	1.2
492.38327	0.1
554.97644	0.1
749.16852	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	988.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99806	0.7
69.03442	0.4
71.01380	13.5
72.99309	1.4
73.02945	4.0
75.00867	4.6
83.01402	1.7
85.02950	8.7
86.00077	0.9
86.03302	0.3
87.00876	4.2
87.04501	1.1
89.02440	3.8
95.01384	2.9
97.02944	0.4
99.00880	5.3
101.02441	5.3
103.03991	1.8
111.00914	0.3
113.02450	6.2
115.00369	0.4
115.03996	1.5
119.03480	1.0
127.04015	0.5
131.03485	2.9
143.03494	4.0
145.05026	0.7
150.36150	0.3
157.01343	0.5
161.04527	1.1
163.06097	1.4
198.13661	0.3
205.07159	2.9
238.32112	0.3
284.35706	0.3
439.35794	2.7
467.13138	0.3
509.40060	2.0
599.39551	0.6
772.76355	0.3
907.50787	1.2
925.51636	100.0
926.52008	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5891
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	0.9
69.50341	2.7
69.50776	0.7
71.01388	11.1
72.99311	1.3
73.02941	1.3
81.03449	0.5
83.01378	1.5
83.05032	0.6
85.02954	2.6
87.00851	2.1
89.02447	8.6
95.01395	0.7
97.02946	1.9
99.00875	0.8
99.08156	2.0
101.02447	8.5
107.46894	0.4
111.04504	0.6
111.08174	0.5
113.02450	4.4
113.09717	1.9
119.03472	2.1
125.02451	4.0
127.07628	0.9
127.11236	0.6
129.09241	4.0
131.03453	0.5
135.04509	1.8
139.11287	1.2
143.03499	1.9
149.00941	1.3
151.11296	0.8
161.04518	1.9
167.14403	0.7
169.12328	2.3
171.10277	3.7
177.12856	0.5
179.03514	2.1
179.05586	2.0
181.12337	3.1
183.13919	2.3
185.86188	0.5
193.12291	1.1
197.11827	7.2
199.13353	3.6
211.13394	13.4
221.06656	0.9
235.08255	5.1
245.49998	0.4
253.09181	1.3
265.21695	1.0
275.20047	2.0
275.22684	0.6
277.21704	28.3
278.21979	1.8
287.07675	1.9
293.21231	9.4
305.08850	1.6
309.20703	1.2
311.22266	100.0
312.22580	7.5
397.13495	47.2
397.18930	0.8
398.13773	3.6
415.14557	14.9
416.14655	0.7
675.36163	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	987.5896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	1.9
71.01382	20.5
71.05019	0.7
71.61057	0.6
72.99307	1.6
73.02949	2.8
80.02678	0.9
81.03461	2.8
83.01395	8.5
83.05035	2.5
85.02962	4.2
86.48071	0.5
87.00879	4.9
88.98409	0.5
88.98817	5.1
89.02444	18.8
89.02993	1.2
93.03441	0.6
95.01369	2.3
95.05022	1.3
97.02956	4.0
97.06606	2.5
98.03693	0.6
99.00871	2.0
101.02441	18.2
101.79927	0.6
107.56010	0.6
109.02951	0.9
111.00914	0.7
111.04504	0.9
113.02450	9.3
115.04018	0.9
116.92831	1.0
119.03513	4.7
121.02948	0.5
123.04482	1.5
123.08150	2.0
125.01616	0.7
125.02454	8.1
125.06056	1.2
125.09719	6.8
131.03479	0.5
135.08131	0.8
137.09764	0.5
139.03958	0.9
139.11307	4.4
141.09242	0.6
142.02724	0.6
143.03493	3.2
147.11725	0.7
161.04578	3.6
163.11298	5.0
165.09116	0.6
165.12842	8.4
167.03450	0.6
167.10771	3.0
171.10269	0.8
179.05600	5.7
179.10724	0.6
179.14368	1.2
181.12314	2.1
183.13853	1.3
191.10741	2.1
193.16037	2.5
197.11914	0.6
200.50375	0.5
207.10280	0.9
209.11815	40.7
210.12170	1.7
217.07251	0.6
219.17674	0.6
221.06726	1.3
235.08231	8.6
245.06581	0.7
247.20679	8.0
248.21098	0.8
253.09233	2.3
263.07675	0.8
265.21741	2.3
273.18625	2.2
279.23273	62.1
280.23651	3.9
281.21188	1.8
287.07779	3.3
291.19656	40.2
292.20218	3.2
305.08670	3.9
309.20694	58.5
310.21149	3.8
323.09808	1.7
397.13486	100.0
398.13843	6.0
415.14566	34.2
416.14749	2.0
677.37396	5.7
678.37756	0.7
851.36682	0.6
901.35718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5889
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.4
71.01385	27.7
71.10191	1.6
72.99314	2.0
73.02953	6.1
81.03469	1.7
83.01403	4.3
83.01807	0.8
83.05019	1.2
85.02948	7.9
87.00879	14.3
87.04475	1.6
89.02444	17.2
95.01394	2.9
97.02943	4.2
99.00885	2.3
99.08142	1.2
101.02444	26.2
109.06590	0.8
113.02453	14.5
113.09726	2.0
115.03993	0.9
116.92855	1.8
119.03491	4.9
125.02444	13.1
125.09637	0.8
127.03969	1.0
129.09221	2.2
131.03491	1.8
135.04485	1.6
139.03961	1.1
139.11276	2.1
143.03506	5.9
149.00896	1.0
161.04544	6.2
167.03485	0.7
167.10791	0.9
169.12328	1.3
171.02939	0.9
171.10257	9.3
179.03450	1.1
179.05621	4.8
181.12396	2.3
183.13921	2.5
185.11826	1.1
193.12306	1.4
195.13606	0.8
196.98584	0.8
197.11856	4.8
199.13354	3.3
201.11365	0.7
203.05527	1.4
209.11804	1.6
211.13385	11.3
221.06682	1.6
235.08215	16.7
253.09230	7.1
263.07822	1.1
275.20108	1.4
277.21716	71.6
278.22092	4.0
287.07687	6.0
291.23270	1.3
293.21240	13.5
305.08801	7.7
311.22269	100.0
312.22568	6.2
313.18442	0.9
323.09750	2.9
353.60965	0.8
397.13483	88.5
398.13794	5.8
415.14569	58.3
416.14713	3.7
426.25595	0.9
512.01776	0.8
675.35712	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	985.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59338	0.4
69.59745	0.9
71.01385	1.8
73.02937	0.5
75.00877	0.8
83.01413	0.3
85.02944	1.5
87.00870	0.7
87.04510	0.3
88.98809	100.0
89.99149	0.9
95.01397	0.2
99.00887	1.0
101.02416	0.3
113.02440	0.5
122.90794	0.2
131.03503	0.6
143.03468	0.4
208.22823	0.2
439.36044	0.3
645.95776	0.2
725.52704	0.3
895.50677	18.8
896.50964	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	987.372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	1.1
69.80877	1.3
69.81297	3.5
71.01382	15.7
71.05032	1.1
72.99294	4.3
73.02945	6.1
75.00881	0.8
81.03471	1.5
83.01381	2.3
83.05029	3.2
84.66852	0.6
85.02956	7.1
86.15202	0.7
87.00877	27.0
89.02453	8.9
93.03473	0.9
95.01364	1.9
95.05023	1.4
96.96003	1.6
97.02946	2.5
99.00873	10.2
99.04537	1.2
101.02449	8.7
103.00372	1.9
105.01950	1.7
107.05025	1.0
109.02966	1.6
109.06585	1.5
111.04479	0.8
112.98813	6.8
113.02451	15.7
119.03512	1.6
119.05025	1.5
123.04478	1.6
123.08179	4.3
125.02403	3.6
125.06100	1.1
127.04078	0.7
130.99869	4.1
131.03511	2.4
133.02957	1.1
134.03714	0.9
135.04532	4.1
136.53014	0.7
137.02448	2.1
137.09737	1.1
141.05611	0.9
143.03508	1.8
143.04610	0.8
145.02907	1.0
145.10176	1.0
149.00917	11.9
149.04547	4.6
150.03185	1.0
161.02440	1.1
161.04561	3.8
161.09630	1.3
161.13327	6.3
163.04004	1.7
163.11270	8.7
167.03476	2.3
179.03496	3.7
179.05550	1.2
179.14401	1.4
187.11275	1.4
189.12906	4.2
191.05627	2.4
195.06487	0.7
203.05652	0.9
205.12357	8.0
207.10246	13.4
207.13876	8.6
223.13383	100.0
224.13757	5.5
231.10387	0.7
233.06700	1.0
237.22125	0.8
249.11264	2.3
267.12369	35.5
268.12717	2.6
275.09366	0.7
293.03168	0.8
335.09686	1.7
387.20099	1.1
468.88013	0.8
501.23373	13.5
519.24371	9.7
520.25110	1.7
543.24359	19.6
553.04846	0.9
561.25519	66.1
562.25726	7.8
603.26526	4.6
604.01392	0.8
767.37653	0.9
769.36365	5.7
770.37396	1.1
793.36371	4.7
811.37579	76.2
812.37921	13.8
901.37238	3.1
943.38330	10.4
944.39069	1.7
987.36426	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	983.5583
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99783	0.5
69.03443	1.7
70.29866	1.7
71.01382	15.3
72.99297	1.8
73.02934	2.1
74.45300	0.4
81.03451	0.8
83.01373	1.2
83.05025	0.6
83.64689	0.4
85.02956	3.1
87.00863	3.8
89.02448	12.9
89.18575	0.4
94.24321	0.4
95.01373	1.6
96.96039	0.9
97.02948	4.0
97.06562	0.8
99.00880	1.1
101.02446	10.3
110.28472	0.4
111.08163	4.6
113.02438	6.9
119.03513	3.0
125.02443	4.2
125.09722	0.5
127.07661	0.4
131.03484	0.9
133.05042	0.5
137.09743	0.7
143.03474	2.0
151.11296	0.6
161.04576	3.2
163.11247	1.0
165.12854	1.3
167.10742	0.5
169.12361	2.0
170.98944	0.4
171.10283	2.7
179.05600	4.4
179.10835	0.5
179.14398	1.2
181.12279	0.4
182.63812	0.4
183.13914	0.8
192.17049	0.4
193.12337	0.6
195.10368	0.4
195.13913	7.5
196.14311	0.6
197.11815	23.6
198.12141	0.6
199.13417	0.8
207.13866	0.6
209.11824	1.1
211.13417	4.6
221.06606	1.4
223.13377	6.0
225.14975	0.5
227.12848	1.5
228.13718	0.8
229.07028	0.5
235.08197	3.8
247.20700	1.5
253.09312	1.2
256.13251	0.7
263.20108	1.2
265.18109	0.7
265.21881	0.5
273.18622	0.9
275.20154	6.5
277.21631	0.8
287.07727	1.0
289.17960	0.6
291.19647	18.8
292.19958	1.3
293.21222	100.0
294.21512	6.9
300.07541	0.4
305.08850	1.0
309.20709	68.7
310.20996	4.4
323.09729	0.7
333.20602	0.6
340.58167	0.4
379.12393	2.1
397.13522	30.3
398.13803	2.3
415.14529	19.3
416.14905	1.2
487.46600	0.5
505.22153	0.6
563.28430	0.5
577.24719	0.5
585.41656	2.4
586.42023	0.7
673.34711	1.4
689.34131	1.2
691.35431	3.0
707.35052	1.8
708.35321	0.6
829.76062	0.6
983.55908	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	2.6
69.72633	4.5
69.88947	0.7
71.01385	21.8
72.99311	1.8
73.02946	3.3
75.00878	1.0
80.02674	0.9
81.03454	3.2
83.01389	7.8
83.05023	2.1
85.02961	6.2
87.00890	6.1
89.02439	20.2
95.01408	1.2
95.05028	2.1
96.96075	0.9
97.02944	7.2
97.06585	3.1
98.20612	1.4
99.00883	1.7
101.02443	18.8
106.04207	0.9
108.02232	0.9
109.06634	1.1
113.02444	10.4
119.03506	5.3
119.08652	0.9
123.04537	4.7
123.08154	2.3
125.02451	8.4
125.08884	1.1
125.09720	7.4
135.08162	1.5
136.05319	0.8
137.09695	3.7
139.04022	1.0
142.02757	0.9
143.03511	4.0
149.04626	1.0
149.06059	1.3
151.11276	1.0
161.04601	4.3
161.09782	0.9
163.11263	6.6
165.12854	1.2
167.10732	1.0
179.05620	3.6
179.10718	0.8
181.12257	1.1
185.11803	6.1
191.10735	1.8
191.14458	6.4
207.10258	4.9
209.11823	35.4
210.12161	2.0
211.13501	1.4
217.07008	1.2
221.06650	1.6
221.37820	0.8
225.11313	3.4
235.08224	11.9
245.06796	1.3
245.19096	13.9
253.09320	2.1
263.20020	1.0
271.17010	1.8
277.21710	54.7
278.22067	3.1
287.07742	2.6
289.18079	40.7
290.18503	3.0
291.18903	0.8
305.08786	4.9
307.19138	37.6
308.19424	2.3
323.09802	1.8
379.12280	1.2
397.13486	100.0
398.13733	6.2
415.14563	34.9
416.14935	1.2
611.63068	0.8
675.36023	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	976.5849
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28555	100.0
73.87528	21.2
74.88738	25.2
84.47742	25.3
98.19759	30.4
184.89641	26.0
195.47270	29.1
258.44574	27.8
273.15826	29.8
327.38184	28.1
328.19028	33.3
619.52350	27.6
622.36676	28.4
829.04437	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99299	3.4
83.01388	0.8
87.00874	9.8
87.01362	0.8
97.06599	1.1
98.19834	1.1
103.00375	6.1
107.01401	1.6
107.05015	0.5
108.02177	1.9
109.02953	15.7
109.03671	1.0
109.19693	0.4
112.98806	3.2
121.02964	2.0
123.04533	0.7
130.99899	2.4
133.02975	2.3
134.03741	48.0
135.04562	11.3
136.01657	12.0
136.04860	0.6
137.02458	6.4
148.01738	0.6
149.00911	20.4
151.00380	6.1
151.04004	8.4
161.02495	0.6
162.03163	1.6
163.00368	0.9
177.01920	1.1
178.02737	4.3
178.99884	3.2
179.03484	6.7
180.03787	0.6
195.02971	3.2
203.03674	0.5
219.02904	0.9
226.02777	0.5
227.03497	1.6
229.05141	0.5
231.10202	9.5
232.10437	1.1
233.08130	0.9
243.02948	4.8
245.04533	0.9
254.02263	1.1
255.02954	15.5
256.03360	1.3
263.09341	0.7
271.02460	35.0
272.02914	2.9
273.03955	0.6
275.09299	4.5
283.02414	0.8
293.03217	1.4
293.10309	52.1
294.10544	2.4
299.01883	1.1
300.02744	73.5
301.03427	27.3
302.03830	1.6
311.04010	4.5
311.92657	0.5
386.24063	0.5
413.71555	0.6
425.10898	21.9
426.11090	1.7
463.08725	1.4
505.09866	100.0
506.10165	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	974.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99806	1.4
69.03458	1.0
71.01387	20.7
71.61713	1.2
72.72856	0.8
72.99287	1.7
73.02944	5.7
75.00890	7.8
83.01384	3.0
85.02957	15.6
87.00879	5.5
87.04507	1.6
89.02435	3.0
95.01410	2.3
96.96021	1.1
99.00890	10.8
99.04481	1.0
101.02443	4.2
112.98805	3.6
113.02452	7.6
115.04041	1.3
125.02461	1.0
131.03525	5.3
135.04518	2.4
136.30272	1.0
137.06049	1.3
139.90463	0.8
143.03484	3.3
145.05086	0.8
146.03670	1.1
149.00926	1.2
161.04485	1.0
163.06261	0.8
163.07631	2.3
165.05640	1.1
165.09094	0.9
169.05945	0.8
179.03485	1.4
195.06537	0.9
195.46518	1.0
205.07175	2.1
234.44954	0.9
293.02747	1.0
385.25873	2.3
386.26413	1.6
401.25684	0.9
455.35199	1.5
525.39410	0.9
587.01764	1.0
622.40851	1.5
686.88629	1.0
911.50189	100.0
912.50549	23.4
966.56934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99833	0.7
69.03459	1.0
71.01380	17.9
71.61815	0.6
72.99293	1.8
73.02943	3.4
75.00872	10.5
83.01379	2.1
83.05031	0.8
85.02950	20.6
86.00112	1.3
87.00862	7.0
87.04510	2.2
89.02447	3.5
93.86602	0.5
95.01363	2.6
98.24140	0.6
99.00887	9.2
101.02419	2.6
103.04002	1.7
112.01648	1.1
112.98810	1.2
113.02446	15.1
115.03999	1.8
119.03455	1.0
125.02441	0.7
125.28172	0.5
129.02014	0.6
131.03508	6.6
135.04561	1.1
139.00346	0.9
143.03506	5.8
145.04935	0.6
149.01088	0.6
157.01407	1.3
163.06212	1.3
163.07478	0.7
165.05486	0.7
201.89500	0.5
205.07140	2.3
209.11867	1.1
211.29135	0.5
277.21799	0.5
287.56586	0.6
319.35458	0.5
784.48694	0.7
911.50079	100.0
912.50336	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	973.6114
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	1.5
71.01387	22.8
71.61237	1.5
72.99308	3.1
73.02940	4.2
81.03490	1.5
83.01395	1.6
85.02961	6.1
87.00877	6.0
89.02453	23.0
95.01387	1.8
97.02940	3.7
99.00909	1.7
101.02445	18.2
109.06516	1.0
113.02448	9.0
113.09718	9.4
116.92856	3.3
117.92818	1.0
119.03497	6.0
125.02437	8.3
128.81458	0.9
134.07642	1.1
143.03510	3.4
161.04568	5.0
169.05043	1.6
179.05594	3.8
191.90614	0.9
221.06694	1.5
235.08188	9.1
236.10339	1.3
245.06729	1.2
253.09348	2.1
255.23335	5.0
277.21692	3.7
281.24860	61.8
282.25223	3.6
287.07556	2.2
293.21234	60.1
294.21585	3.9
305.08722	3.6
323.09723	1.2
343.93222	1.2
379.12726	1.3
397.13501	100.0
398.13727	6.5
415.14597	32.0
416.15002	2.9
504.28058	1.2
679.39252	4.4
681.15332	1.2
887.10144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	974.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	19.8
71.61943	1.1
72.99313	2.0
73.02943	5.9
75.00874	7.6
83.01380	2.8
84.99284	0.7
85.02945	13.5
86.00125	1.6
86.72730	0.7
87.00887	7.3
87.04525	0.7
89.02441	3.2
95.01398	2.4
96.95987	1.3
99.00886	10.0
101.02444	4.2
103.04045	0.8
109.02930	0.9
110.64153	0.8
112.98814	3.3
113.02451	9.8
115.04002	1.3
119.03540	1.2
119.05007	1.3
121.02958	1.1
128.90225	0.8
130.08733	1.2
131.03519	4.1
134.03679	0.9
135.04489	4.5
137.02495	1.0
143.03511	3.5
145.02988	1.1
145.05122	0.8
149.00854	1.2
161.02414	2.6
161.04639	0.9
163.04002	1.7
163.06169	0.9
179.03525	5.2
180.03897	1.0
183.37677	0.8
194.05843	1.6
205.07104	2.1
209.08141	5.1
210.08466	2.7
223.13293	1.2
293.03217	1.3
327.21793	1.0
361.47034	0.9
455.35175	1.8
525.39960	0.9
723.37476	0.9
911.50098	100.0
912.50336	21.0
912.69031	1.0
930.50024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	1.8
69.03446	1.0
71.01384	27.6
71.62415	0.7
72.01691	0.5
72.99309	3.2
73.02946	7.0
75.00872	9.5
81.03447	0.5
83.01389	3.6
83.05025	1.0
84.02151	0.5
85.02953	20.9
86.00098	1.8
87.00875	11.1
87.04526	2.7
89.02448	8.9
95.01384	5.2
97.02958	1.2
99.00878	13.8
99.04501	0.7
101.02446	12.3
101.33197	0.5
103.00359	0.6
103.03992	2.6
108.02131	0.5
109.02958	0.7
112.01654	1.2
112.98801	1.2
113.02451	13.9
115.03990	3.0
119.03506	2.2
119.04994	1.2
125.02446	1.2
127.03970	0.5
130.99846	0.8
131.03502	5.0
133.02945	0.6
135.04494	2.4
137.02438	0.7
139.00359	1.6
143.03484	6.0
145.02875	0.4
145.05070	0.8
149.00896	1.3
150.03194	1.0
157.01392	1.1
158.56256	0.5
161.02423	0.7
161.04510	1.5
161.05920	0.4
163.06149	2.5
165.05556	0.8
178.02597	0.6
179.03488	1.2
186.50410	0.4
195.06673	0.6
205.07150	3.3
207.55847	0.4
223.13432	0.5
241.69609	0.4
253.87770	0.5
267.06720	0.5
275.09280	0.9
293.03156	0.7
309.76260	0.4
409.31125	1.5
469.32486	0.5
489.35828	1.0
501.23529	0.4
545.25629	0.5
561.25397	1.2
591.27814	0.5
614.14301	0.5
647.38177	0.5
684.99390	0.4
763.61755	0.5
767.34088	1.0
955.49573	1.0
973.50134	100.0
974.50476	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	1.8
69.03439	1.0
69.29544	0.5
71.01385	23.2
72.99307	2.4
73.02943	1.6
75.00873	9.8
77.79194	0.6
83.01380	3.5
83.05019	2.8
83.97466	0.5
84.02142	0.7
85.02950	32.6
86.03311	1.0
87.00883	3.9
87.04530	1.2
89.02443	6.5
93.03444	0.7
95.01389	13.3
96.96001	0.8
97.02927	1.2
98.20638	1.2
99.00879	12.4
99.04507	0.8
101.02433	8.3
103.00348	1.0
108.02184	0.5
111.00880	0.7
112.01702	0.6
112.98817	1.3
113.02449	43.7
114.02770	1.1
115.00359	1.0
119.03494	0.9
119.05078	0.7
119.85151	0.5
124.02937	0.5
125.02396	1.1
130.99867	0.8
131.03484	0.6
133.02959	1.0
134.03720	1.0
135.04497	2.3
136.05045	0.5
137.02432	1.0
139.00337	1.4
139.01317	0.6
143.03484	1.2
149.00896	0.9
161.02435	0.8
161.04541	3.7
165.05600	0.6
167.46565	0.5
177.01912	0.9
178.02676	1.3
179.03444	1.4
181.04912	0.6
223.95596	0.6
261.78729	0.6
275.09274	1.7
405.31674	0.6
407.09848	0.7
439.31912	1.0
441.33865	0.9
471.34619	2.7
473.36093	1.4
509.36453	1.7
541.38690	3.9
613.37244	1.0
631.38513	0.6
681.26282	0.6
695.67078	0.5
734.32611	0.7
755.22736	0.6
973.50128	100.0
974.50494	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	973.501
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	2.4
69.03436	0.9
71.01383	28.7
71.31854	0.6
72.99306	2.5
73.02957	2.2
75.00875	10.5
83.01382	4.2
83.05025	2.5
84.02148	1.0
85.02950	32.7
86.03242	0.4
87.00875	2.9
87.04497	1.1
89.01904	0.7
89.02441	10.5
95.01385	12.1
97.02935	0.7
99.00877	12.6
99.04514	1.0
101.02444	9.1
109.02918	0.6
111.00843	1.0
112.01665	0.5
112.98798	1.1
113.02451	36.7
114.02759	1.0
115.00356	1.0
119.03500	2.3
119.05043	0.3
125.02435	1.1
131.03439	0.5
135.04520	1.1
137.02545	0.4
139.00346	1.5
139.26981	0.4
143.03476	1.0
149.00902	0.7
157.01376	0.8
161.02388	0.4
161.04564	2.1
163.03979	0.4
163.11331	0.4
179.03470	0.7
179.05598	0.5
188.20660	0.3
207.10248	0.6
223.13399	1.6
224.13795	0.7
267.12347	1.0
282.05304	0.8
297.07623	1.1
341.30975	0.4
405.31543	0.5
409.31012	0.4
439.32074	0.7
441.33551	0.8
442.34143	0.4
471.34656	2.9
473.36295	0.8
479.35489	0.5
509.36377	2.0
541.38873	3.2
542.39429	0.5
547.27478	1.0
585.37628	0.4
613.37537	1.7
631.38934	0.5
648.91156	0.4
649.39716	0.8
797.38953	2.5
798.16370	0.4
798.38934	0.6
854.14447	0.4
955.48340	0.9
973.50146	100.0
974.50427	24.0
975.51019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.594
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	0.4
69.03448	1.4
71.01383	15.8
71.05014	0.2
72.01722	0.2
72.99306	1.4
73.02948	2.8
75.00858	0.4
81.03439	0.9
83.01389	2.2
83.05030	0.3
85.02956	3.8
86.00093	0.2
87.00877	4.2
89.02447	14.7
90.02731	0.2
91.04008	0.4
93.03477	0.2
95.01405	1.2
95.05031	0.3
97.02950	2.8
97.06587	0.2
99.00880	0.9
99.04467	0.2
101.02444	14.2
103.04017	0.2
109.02949	0.4
111.00877	0.4
111.04514	0.6
111.08159	0.4
113.02451	6.3
113.09737	0.4
114.02829	0.2
115.04012	0.2
116.41407	0.2
116.92866	0.4
117.29150	0.2
119.03503	3.8
121.02915	0.3
125.02446	5.8
127.04002	0.3
129.01950	0.2
131.03487	0.8
133.05042	0.5
137.02405	0.2
139.03987	0.6
139.11249	0.2
141.01918	0.3
141.09169	0.2
143.03488	2.5
149.04553	0.6
155.12640	0.1
161.04555	3.1
167.03462	0.3
167.10767	0.3
169.05130	0.3
177.12840	0.3
178.88971	0.2
179.05606	2.8
179.10704	0.2
179.14392	1.0
180.06070	0.1
185.04646	0.3
195.13901	8.4
196.14400	0.7
205.12244	0.8
205.15936	0.6
211.13359	0.6
217.07123	0.4
219.05118	0.2
221.06648	1.1
223.13388	6.3
224.13892	0.4
228.13664	0.9
231.21178	0.4
235.08220	7.1
236.08546	0.3
245.06549	0.4
249.22227	0.2
253.09276	1.2
256.13116	1.3
257.19254	0.2
259.08313	0.2
263.07697	0.6
265.21738	0.4
275.20142	4.5
276.20398	0.2
277.09152	0.5
279.23276	48.4
280.23651	3.7
287.07758	2.7
293.21219	100.0
294.21548	7.1
294.24945	0.3
305.08813	2.7
323.09958	0.9
361.11334	0.2
364.01517	0.2
379.12436	0.5
397.13486	71.2
398.13803	4.4
398.18967	0.2
415.14554	22.4
416.14700	1.4
677.37512	3.2
678.37592	0.4
839.55743	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.486
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03467	1.7
71.01386	100.0
71.61504	2.9
72.99315	6.4
73.02953	37.0
75.00887	2.2
83.01395	20.4
84.83725	1.4
85.02965	25.6
87.00874	8.5
87.04525	2.6
87.15845	1.5
89.01907	3.0
89.02449	58.2
93.96345	1.4
95.01375	5.4
97.02956	2.1
99.00869	6.6
101.02448	97.6
101.06055	3.3
112.98840	2.3
113.02448	41.8
119.03503	31.4
125.02453	3.7
131.03474	7.7
133.02988	1.6
135.04517	4.7
138.42172	1.7
143.03506	12.0
149.04579	15.9
161.04565	30.6
163.07629	2.8
179.05618	34.2
187.46391	1.6
203.05623	2.8
221.06618	9.8
293.02908	2.2
381.22845	16.8
382.23486	1.8
383.24423	9.0
399.23883	45.8
400.23917	4.7
441.24957	24.7
679.40942	2.0
709.61841	2.1
781.46722	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	971.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03477	1.6
69.40888	0.9
69.41179	8.3
71.01389	26.6
71.05030	1.4
72.99315	3.7
73.02958	9.3
75.00898	1.5
82.92593	0.9
83.01386	3.3
83.05032	3.9
83.31789	0.8
85.02956	8.0
87.00879	19.1
89.02451	22.4
95.01402	2.9
96.35677	0.8
96.95995	1.6
97.02968	2.2
97.06651	1.0
98.19906	1.6
99.00885	26.8
99.04546	0.9
101.02449	10.1
103.00383	1.8
105.01965	1.6
109.05773	0.9
109.06599	1.5
109.55946	1.0
111.00886	0.9
111.04511	1.0
112.98820	8.4
113.02460	15.2
113.06046	1.2
117.21906	1.1
119.03448	1.0
125.02460	2.8
129.07132	1.3
130.78903	1.0
130.99893	4.6
131.03513	5.1
135.04544	3.2
137.02325	1.1
143.03517	3.1
149.00911	15.1
149.04556	14.9
150.03131	1.0
155.03491	1.5
159.03001	1.1
161.04573	3.7
161.09726	3.1
161.13330	4.4
163.03987	1.4
163.11282	5.8
179.03494	1.6
187.11366	1.1
191.05637	7.2
203.05630	6.4
205.12308	9.3
207.10263	18.5
223.13397	81.4
224.13699	3.2
233.06676	2.5
239.38969	1.0
243.41339	1.0
249.11371	1.6
267.12378	30.0
268.12543	1.1
275.88794	0.9
293.08771	1.0
304.45166	1.0
335.09756	3.3
485.24194	1.3
503.24985	4.1
527.25128	4.6
545.26031	40.1
546.26331	3.9
587.26978	3.6
753.36768	10.1
754.37970	1.5
777.36743	7.5
795.38068	100.0
796.38190	19.5
885.37738	4.2
927.38989	5.9
928.38885	2.0
971.36487	3.5
971.51031	2.0
972.39417	1.1
1007.01923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82004	0.8
69.03454	1.2
71.01382	28.1
71.05035	1.4
72.99318	4.6
73.02946	9.1
75.00875	1.9
81.03449	0.9
83.01391	3.2
83.05027	3.6
84.99301	0.8
85.02953	9.7
87.00870	21.6
89.02440	22.6
93.03498	0.8
95.01397	2.0
97.02983	1.9
97.34169	0.9
99.00883	26.3
99.04503	1.4
99.90989	0.8
101.02433	9.2
103.00394	1.8
107.05042	1.1
109.02907	1.2
111.04430	0.9
112.98820	7.2
113.02453	16.6
119.03570	2.0
119.05043	2.0
121.02921	1.3
123.04546	1.2
125.02448	4.3
125.06123	1.0
130.99852	4.3
131.03520	5.4
133.02972	2.0
134.03677	1.2
134.67033	0.8
135.04578	4.5
137.02452	1.0
143.03465	3.0
145.10219	2.0
149.00914	15.4
149.04550	19.1
150.03206	1.3
152.01147	1.0
155.03488	3.6
161.02432	1.4
161.04573	4.1
161.09711	2.1
161.13345	4.5
163.04041	1.1
163.11276	5.3
179.03479	2.6
179.05574	0.9
187.11186	1.8
189.09273	1.1
190.82187	0.9
191.05615	8.2
203.02815	0.9
203.05585	8.4
205.12320	9.5
206.12688	1.2
207.10258	19.5
208.10629	1.1
223.13391	78.1
224.13783	4.6
229.77690	1.0
233.06619	4.7
249.11250	3.9
267.12360	32.7
268.12631	1.8
335.09729	3.1
336.31943	0.8
342.48709	0.9
355.15347	1.2
436.19830	0.9
441.25262	1.0
468.45947	1.1
485.23837	1.3
503.24768	5.3
503.31332	1.0
520.81873	1.0
527.24518	4.3
535.10443	0.8
545.26019	44.7
546.26630	5.0
559.22626	1.0
587.27271	3.1
597.21442	0.9
753.36896	10.3
754.37817	2.2
777.37122	7.4
778.37891	1.2
795.38068	100.0
796.38525	21.9
885.38037	3.1
927.38959	3.7
928.39362	1.5
971.37537	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	971.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03012	0.6
68.99826	0.6
69.03442	1.4
71.01022	1.2
71.01378	19.6
71.05031	1.1
72.99308	5.8
73.02950	7.0
75.00861	1.5
75.23267	0.5
81.07087	0.9
83.01393	1.5
83.05031	2.2
85.02965	6.5
87.00877	27.8
89.02449	18.5
95.01388	1.3
95.05022	1.0
96.95992	0.8
97.02952	1.8
99.00884	17.4
99.04520	1.2
101.02453	8.1
103.00361	4.1
105.01935	1.6
109.06587	1.0
111.00826	0.6
112.98808	6.5
113.02450	12.4
119.03510	1.5
119.05026	0.9
121.02904	0.6
125.02445	3.6
125.06055	1.4
130.99869	3.6
131.03528	4.4
134.03769	1.0
135.04524	4.1
137.02446	1.2
141.05542	0.8
143.03496	2.1
147.04539	0.7
149.00931	11.0
149.04549	16.7
150.03250	0.9
150.04768	0.6
151.03983	0.9
152.01144	0.6
153.01904	0.7
155.03485	2.5
159.11720	0.7
161.02449	1.1
161.04553	3.8
161.09717	0.8
161.13351	5.5
163.04037	1.3
163.11235	3.6
164.04784	0.6
165.05513	0.7
175.03891	0.6
177.01904	0.6
179.03487	1.8
179.14471	1.2
187.11267	1.2
191.05592	6.2
193.05125	0.8
203.05605	7.8
205.12320	8.9
207.08313	0.8
207.10265	14.0
209.25209	0.6
213.05536	0.5
223.13388	100.0
224.13741	6.2
233.06584	3.4
249.11308	2.0
267.12363	29.9
268.12759	1.5
275.07874	0.7
293.03113	0.9
293.08752	0.7
335.09814	5.4
354.11490	0.5
361.91364	0.6
405.20993	0.6
485.23868	1.8
503.25000	4.1
527.25085	4.9
545.26025	51.2
546.26367	5.9
587.27185	4.7
587.52222	0.5
588.27551	0.6
753.37189	4.0
754.37415	0.9
777.36725	2.8
778.38434	0.8
795.38080	48.2
796.38330	9.4
885.37036	2.9
927.38580	7.0
928.39618	1.8
971.36560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03630	1.1
70.04019	2.0
71.01388	12.1
71.01762	0.8
72.99344	1.4
73.02980	1.1
75.00897	0.7
79.46333	0.5
83.01408	1.4
85.02943	4.4
87.00887	3.3
89.02445	9.9
93.03465	5.0
95.01384	2.0
96.96021	2.1
99.00903	2.1
99.97134	0.6
101.02456	5.5
103.00379	0.9
105.03493	1.0
107.05083	0.5
108.02188	2.1
109.02969	2.8
112.35451	0.5
112.98795	3.2
113.02459	4.7
117.03482	0.6
119.03526	3.5
119.05038	2.4
120.01244	1.3
121.02951	8.5
122.03745	14.0
123.04591	1.0
124.01646	1.4
125.02465	1.7
130.99852	0.9
131.03502	0.7
133.02957	4.0
134.03746	3.9
135.04536	13.4
136.00691	0.8
136.01675	10.2
136.04857	0.6
137.02455	6.1
138.03169	0.8
143.03612	1.1
145.02956	2.8
146.03777	2.7
147.04515	1.5
149.01067	1.5
149.02448	26.6
149.06105	2.8
150.03227	100.0
151.00348	3.6
151.04022	19.9
152.01144	1.6
152.04597	0.7
153.01938	2.0
153.05606	0.7
161.02461	4.5
161.04559	1.5
161.06084	2.0
162.03238	10.4
163.03976	2.3
164.04803	6.1
165.01891	1.5
165.05568	88.6
166.02718	8.8
166.05901	3.2
167.03497	1.6
175.03969	1.4
176.04665	0.8
177.01958	1.5
177.05563	8.6
178.02727	1.4
179.03485	4.3
179.05588	2.9
179.07135	6.4
180.04260	6.3
181.05054	10.7
187.03990	1.5
191.03522	0.9
192.04297	1.7
193.05026	0.8
195.06622	53.4
196.06934	2.0
199.09795	0.5
203.03488	1.2
205.05046	2.0
206.05511	0.6
207.06664	1.0
219.06595	1.4
220.07281	1.2
225.07613	0.9
232.31209	0.5
252.04097	0.8
267.06558	1.6
275.09201	1.1
285.04083	0.6
293.03058	0.6
297.07678	0.6
314.07840	0.6
329.10449	0.8
355.11954	0.8
371.11084	0.7
372.11734	0.7
387.10229	1.2
387.14874	2.4
402.12979	0.7
403.13733	1.1
417.15387	7.4
419.11627	1.6
421.14993	1.5
513.27710	0.6
535.17242	0.7
550.17737	0.9
551.19147	0.9
564.19037	0.8
565.12030	0.9
565.20709	15.5
566.20636	1.6
577.20093	0.9
595.21851	4.2
613.14050	0.7
613.23029	8.1
614.22742	1.8
667.23816	1.2
713.26031	4.1
714.25635	0.6
725.26093	3.2
726.25903	0.9
743.27124	5.0
744.26367	1.0
761.28107	10.2
762.28033	2.3
773.27936	2.7
791.29083	4.2
792.29639	0.7
809.30298	13.7
810.30432	2.6
833.99701	0.6
971.47247	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	971.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	11.0
72.99320	1.6
73.02949	1.8
83.01418	0.9
85.02958	3.8
87.00883	2.7
87.90556	0.5
89.02441	10.6
93.03456	5.4
95.01414	1.5
95.05016	0.7
96.96010	1.9
97.02989	0.7
98.03054	0.5
99.00894	1.8
101.02436	6.4
103.00386	1.6
105.03497	0.6
107.05051	1.5
108.02177	1.9
109.02984	3.2
109.03628	0.7
111.00922	0.7
112.98808	2.7
113.02437	5.3
117.03477	1.3
119.03505	3.7
119.05031	1.6
120.01252	1.6
121.02950	7.1
122.03745	17.3
123.00921	0.7
123.04503	2.2
124.01662	1.1
125.02451	2.0
130.99878	1.6
133.02924	4.2
134.03757	3.8
135.04526	14.4
136.01665	11.0
136.04855	0.8
137.02446	5.3
138.03197	1.0
143.03516	0.8
145.02957	3.2
146.03740	3.2
147.04512	1.5
149.01048	1.2
149.02438	30.7
149.06076	2.2
150.03224	100.0
151.00397	2.8
151.04027	18.7
152.01176	1.4
152.04611	0.6
153.01947	1.1
153.05608	0.6
159.04489	1.0
161.02396	3.4
161.04561	1.3
161.06067	1.2
162.03223	9.0
163.04007	2.6
163.07556	0.6
164.04802	6.1
165.01891	2.0
165.05565	90.0
166.02719	7.1
166.05858	3.4
167.03496	1.5
175.04008	1.6
176.04657	0.7
177.01933	2.2
177.05574	7.4
178.02682	0.9
179.03511	4.8
179.05594	3.6
179.07156	5.6
180.04303	6.4
181.05048	10.8
187.04053	0.7
190.06348	0.6
191.03532	1.0
192.04227	0.7
193.05052	2.0
195.06619	56.1
196.06927	3.1
203.03506	0.6
204.04317	0.6
205.05011	2.8
207.06638	0.9
219.06685	1.3
220.07370	1.9
225.07654	0.6
229.34251	0.6
235.78265	0.5
252.04280	0.7
267.06583	2.0
275.09207	0.8
282.05392	0.7
291.68982	0.5
315.08694	1.0
355.11765	0.5
372.12228	0.7
381.19318	0.6
387.10306	1.1
387.14429	2.4
403.14001	0.7
416.14386	0.7
417.15576	8.4
418.15903	1.0
419.11899	1.8
421.14932	1.2
535.16888	1.7
550.18811	0.6
563.17749	0.6
564.19946	1.0
565.20715	14.9
566.21075	1.8
577.20642	1.8
578.20282	0.6
595.21552	3.3
613.22839	9.2
614.23065	1.5
667.23248	0.9
713.26117	3.6
714.26447	0.7
725.26392	1.8
743.26941	4.8
744.27454	1.3
761.28107	8.5
762.28412	1.8
773.28119	3.0
791.29187	2.7
809.30334	11.4
810.30566	2.1
971.47601	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	969.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.4
71.01382	23.2
72.01715	0.4
72.99313	2.7
73.02963	3.5
75.00864	0.6
81.03436	1.3
83.01391	3.1
83.04996	0.8
85.02953	5.1
87.00874	5.2
89.02444	19.4
91.03996	0.6
91.72021	0.4
93.03453	0.4
95.01395	1.6
95.05017	0.9
96.91227	0.3
97.02959	4.0
98.70793	0.3
99.00881	1.7
99.04590	0.4
101.02446	17.7
103.04023	0.4
104.03513	0.8
109.02943	0.6
109.06589	0.4
111.04508	1.0
111.08163	8.1
113.02454	8.5
113.27919	0.3
115.03993	0.4
119.03506	5.9
121.02982	0.3
125.02439	8.2
131.03500	1.3
133.05017	0.6
137.09703	0.7
139.03999	0.6
143.03510	3.2
149.04539	0.8
149.83989	0.3
161.04572	4.4
167.03462	0.7
167.10774	1.7
167.21767	0.3
177.12842	1.6
179.05638	4.5
179.10805	1.6
195.13918	4.7
217.07127	0.9
221.06641	1.2
229.64204	0.4
235.08228	9.6
240.67723	0.3
245.06554	0.7
247.20648	2.3
253.09296	2.1
263.07635	0.8
273.18680	1.3
277.09302	0.6
279.23276	65.4
280.23599	5.3
287.07709	3.0
291.19653	77.9
292.19998	5.2
305.08725	3.3
323.09775	1.5
379.12485	1.0
390.21399	0.3
397.13489	100.0
398.13867	5.8
415.14575	31.4
415.20486	0.6
416.15030	2.3
677.37561	3.9
678.37952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	2.3
71.01389	19.4
72.99310	1.9
73.02946	3.7
81.03449	0.6
83.01389	2.3
83.05018	1.2
85.02967	5.5
87.00885	4.4
89.02447	17.5
95.01372	2.0
97.02956	3.9
98.20740	0.9
99.00910	1.6
99.04582	0.8
101.02455	15.7
104.66405	0.6
111.08170	8.0
113.02455	7.8
114.19814	0.6
116.92750	0.6
119.03510	6.3
125.02447	7.7
127.07655	0.9
129.24701	0.6
131.03539	0.9
143.03493	2.5
151.11279	0.8
153.09222	0.6
153.12798	1.0
161.04585	4.1
167.03543	0.9
169.12350	4.1
171.10265	2.3
179.05605	6.8
180.06052	0.6
181.12306	1.0
183.13893	1.5
193.12329	0.9
197.11838	47.8
198.12167	2.7
199.13426	2.9
209.15475	2.1
211.13417	8.2
221.06680	1.9
221.11865	1.0
223.17018	0.9
225.14949	3.0
227.12943	1.5
235.08221	7.9
236.84628	0.6
251.16611	1.5
253.09135	1.5
255.23322	0.9
263.20239	3.1
265.18164	1.1
265.99399	0.7
273.18555	1.1
277.21732	53.3
278.22049	4.5
287.07727	2.6
291.19662	21.3
291.22952	1.0
292.19946	1.7
305.08746	2.9
309.20737	100.0
310.21017	7.3
323.09958	1.0
330.23434	0.9
379.12411	3.9
397.13528	46.7
398.13776	3.4
407.11081	0.6
415.14594	16.4
416.15170	1.1
675.36218	1.2
689.34344	1.5
707.34857	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99824	1.3
69.03455	2.0
69.70255	1.5
69.70661	4.0
71.01389	17.8
72.99317	2.7
75.00878	10.2
77.38667	0.7
78.95882	0.9
80.76884	0.8
81.26846	0.7
83.01402	1.9
83.61603	0.7
85.02968	8.6
87.00879	2.6
89.02451	8.2
95.01380	2.8
97.02994	3.5
99.00884	10.0
101.02457	10.4
113.02483	7.0
119.03518	1.2
125.02427	2.9
148.74997	0.7
161.04500	0.7
185.54816	0.8
188.58192	0.7
259.73410	0.7
305.17719	0.9
397.13306	0.8
406.34012	0.8
406.74664	0.8
426.66232	0.7
482.33264	0.9
565.38538	0.8
619.05170	0.8
905.49048	100.0
906.49445	23.2
906.65100	0.5
906.67896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42477	0.2
69.03452	0.7
71.00986	0.4
71.01380	7.0
71.04990	0.2
71.10422	0.2
71.10779	0.2
72.99305	0.7
73.02952	0.9
75.00877	0.2
75.82211	0.2
78.95898	0.3
80.32819	0.2
81.03447	0.2
83.01383	0.5
83.05015	0.2
85.02952	1.4
86.09738	0.2
87.00878	1.7
89.02441	5.9
95.01372	0.7
95.05054	0.2
97.02946	1.2
97.06556	0.2
99.00911	0.4
101.02442	4.6
108.90129	0.2
111.08167	0.4
113.02448	3.1
113.09724	0.3
119.03511	1.7
119.22306	0.2
125.02463	2.0
131.03448	0.3
134.66589	0.2
143.03464	0.8
149.31125	0.2
152.99593	0.3
161.04524	1.0
167.10799	0.3
171.10254	0.4
179.05612	1.9
179.14424	0.8
181.12331	0.3
185.04729	0.2
195.13896	7.2
196.14421	0.5
197.15291	0.2
205.12283	0.7
205.16042	0.4
209.11819	0.2
211.13411	0.6
220.78499	0.2
221.04779	0.2
221.06738	0.7
223.13373	4.8
224.13870	0.3
225.14911	0.4
228.13620	0.8
231.21130	0.5
235.08195	1.5
245.04437	0.2
249.11108	0.3
249.22212	0.2
253.09271	0.5
255.23296	0.7
256.13211	1.1
265.21628	0.3
275.17261	0.4
275.20139	4.5
276.20468	0.3
287.07739	0.7
293.21216	100.0
294.21542	8.1
305.08698	0.8
317.21252	0.4
323.09729	0.5
379.12479	0.7
397.13489	14.4
398.13867	1.0
415.14529	9.5
416.15018	0.5
455.35312	0.4
483.27057	0.7
484.27115	0.2
569.42065	1.3
636.26489	0.2
673.34686	0.6
691.35242	2.3
692.35883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	17.3
72.99297	1.6
73.02962	1.9
81.03500	1.1
85.02962	3.6
87.00903	3.4
89.02454	13.2
97.02941	1.5
99.00900	1.2
101.02460	10.3
111.08160	7.9
113.02465	5.9
119.03499	4.4
125.02467	5.1
143.03505	1.6
152.99588	1.6
161.04547	2.7
166.60007	1.0
167.10782	3.0
171.10281	2.2
177.12860	1.8
179.05634	3.3
179.10812	1.9
192.77003	1.1
195.13893	11.9
209.11980	1.7
221.06653	1.8
223.13454	3.9
225.11620	1.1
235.08221	3.9
247.20596	2.2
255.23172	1.3
275.20187	4.3
279.23331	1.7
291.19678	84.7
292.20004	6.6
293.21246	100.0
294.21603	7.3
305.08868	1.6
323.09760	1.2
379.12451	3.3
397.13483	34.5
398.14001	3.7
415.14554	12.1
481.25687	1.9
639.83752	1.1
671.33228	2.0
689.34161	7.2
690.34558	1.3
691.35809	3.2
836.62177	1.1
879.76135	1.3
965.53961	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5897
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	2.0
70.64119	2.5
71.01385	16.8
72.99317	1.4
73.02932	2.5
81.03469	0.9
83.01389	1.6
85.02953	10.1
87.00870	3.5
89.02448	13.2
91.83090	0.7
97.02949	4.3
97.06586	1.0
101.02445	13.5
109.02947	0.8
113.02458	6.4
116.92879	0.8
119.03489	3.7
125.02440	3.0
127.11253	1.1
131.03503	1.1
137.09737	1.7
139.03900	0.8
143.03534	1.4
161.04558	2.5
171.10280	21.1
171.27248	0.9
172.10558	1.4
179.05611	3.2
183.13957	2.1
201.11316	1.7
209.11856	1.0
211.13356	8.9
221.11830	1.2
229.14468	5.2
235.08188	4.8
253.09183	1.0
255.23291	34.7
256.23602	1.7
277.21628	1.1
287.07767	1.7
291.19699	2.5
305.08682	1.5
305.17639	1.0
309.20670	9.0
327.21753	100.0
328.22064	6.9
397.13495	53.4
397.17627	1.0
398.13657	3.3
415.14526	16.9
495.92593	1.1
565.20898	0.9
565.44537	2.5
610.62689	0.9
653.37640	4.7
707.35223	6.2
722.21222	1.0
725.35931	1.8
963.58221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99819	0.8
69.03458	1.3
70.99882	0.9
71.01382	6.4
71.59103	0.4
72.99287	0.7
73.02961	3.7
81.03468	1.0
81.56900	0.5
83.01380	1.9
85.02947	4.7
87.00899	1.0
89.02445	1.7
93.03477	0.6
95.01381	1.9
97.02955	2.9
99.00880	4.8
99.04546	0.8
101.02457	4.7
108.02177	60.3
109.02972	18.3
112.98792	0.6
113.02460	4.0
115.00388	0.6
119.05019	1.7
121.02973	1.0
123.00884	1.7
123.04557	0.9
125.02447	12.2
133.02974	1.1
134.03725	1.1
135.04573	2.3
137.02454	0.9
143.03523	0.6
145.66611	0.4
149.00960	0.5
149.02405	0.5
151.04036	2.5
152.01154	100.0
153.01839	4.7
161.02435	0.5
161.04530	1.9
163.03989	3.6
175.02490	1.5
175.04073	0.7
177.01958	1.2
179.03485	1.8
191.32767	0.4
241.07201	4.0
252.75905	0.4
267.05063	0.7
277.22696	0.4
285.06125	0.9
293.08768	0.4
304.76718	0.5
327.08606	2.5
349.72815	0.5
399.09372	9.7
400.09628	0.5
417.10364	22.3
418.10736	1.9
419.11911	1.5
429.21375	0.6
445.20938	2.2
459.11444	6.3
460.11798	0.6
488.20322	0.6
499.13873	0.6
501.12460	0.8
525.12170	0.7
652.51385	0.5
741.26575	0.4
837.22717	0.8
945.25720	0.6
963.26221	37.9
964.26361	8.3
999.25439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.45
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	3.5
71.01382	100.0
71.62264	3.3
71.62628	2.9
72.99305	10.3
73.02949	39.2
77.27242	2.5
83.01385	17.1
85.02950	29.7
87.00871	16.2
89.01906	5.1
89.02445	79.6
90.02782	2.6
95.01374	8.6
99.00885	28.2
101.02441	75.2
103.00367	7.3
108.02137	4.5
109.02930	2.8
112.98811	12.2
113.02444	37.2
119.03494	8.0
119.05013	14.6
121.02942	3.1
123.04498	5.7
125.02429	9.5
127.00351	3.6
131.03494	18.0
133.02936	8.1
134.03772	15.4
135.04533	46.9
136.04823	3.1
137.02432	9.2
139.00362	4.9
143.03458	10.9
145.02948	6.7
147.04555	3.3
147.53632	2.4
149.00894	10.4
149.02536	4.2
149.04559	83.7
150.03229	4.1
151.04060	3.5
152.01091	4.0
161.02492	15.2
161.04544	31.9
161.42220	2.4
163.04005	18.2
164.04509	3.8
165.05515	5.4
167.03462	7.1
167.69853	2.3
175.03990	6.0
179.03453	28.5
179.05547	6.1
180.04028	2.9
181.05125	3.7
181.08713	7.8
191.03351	3.3
191.05627	15.8
193.05055	4.0
203.03465	10.0
203.05577	20.2
209.15530	5.1
215.03424	2.9
219.03000	9.6
221.06587	14.2
231.02922	2.8
251.07623	6.2
275.09146	5.5
277.03503	12.2
284.03278	10.6
285.03925	13.0
293.03116	23.3
295.04620	7.0
311.09879	7.4
371.20755	13.7
387.14786	3.3
397.22113	2.9
413.21820	41.8
414.21957	3.1
415.23315	4.5
457.24359	18.6
458.17007	2.8
467.00928	2.5
489.10339	20.4
549.19592	4.9
618.65491	3.0
711.24744	3.6
715.00525	3.3
937.64429	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	958.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	0.3
68.99816	1.1
69.03455	0.5
71.01384	19.9
72.99295	1.8
73.02945	5.4
75.00877	8.7
83.01398	2.4
85.02954	16.2
86.00105	1.1
86.50648	0.3
87.00882	5.0
87.04522	2.0
89.02438	2.6
95.01393	2.3
99.00882	8.9
101.02437	2.3
103.04014	1.2
111.00877	0.4
113.02456	6.0
115.00345	0.4
115.04000	2.0
119.03452	0.4
123.90076	0.3
131.03496	5.4
139.00430	0.5
143.03497	4.1
145.05060	0.7
157.01398	1.1
163.06100	0.7
205.07130	2.8
309.20654	0.3
423.32608	0.6
431.63922	0.4
439.35794	2.1
509.40091	1.5
770.81793	0.4
877.49219	0.6
895.50610	100.0
896.50934	22.0
928.08167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01879	0.8
68.99821	2.7
69.03455	1.2
71.01382	29.0
72.01728	0.5
72.99311	2.4
73.02945	2.6
75.00874	11.8
81.03456	0.4
83.01387	4.9
84.02173	0.9
85.02950	39.6
86.03299	0.7
87.00871	4.2
89.02444	9.1
95.01389	14.6
95.05093	0.4
96.01772	0.4
97.02956	1.8
97.93578	0.4
98.20660	0.9
99.00880	12.0
101.01775	0.6
101.02446	10.1
102.15269	0.4
111.00861	0.9
112.01661	0.8
112.98817	1.0
113.02448	52.1
114.02766	0.8
115.00336	1.1
119.03514	2.0
119.05017	0.5
125.02484	2.1
129.27751	0.4
131.03584	0.4
135.04456	0.9
139.00366	1.7
143.03484	1.4
149.00928	0.5
150.03163	0.4
157.01424	1.2
161.04555	2.9
163.04028	0.5
165.05559	0.5
166.05025	0.4
179.03508	0.6
293.03259	0.5
294.14032	0.4
324.32617	0.4
393.29010	0.5
432.12933	0.4
439.32047	0.6
453.54645	0.4
455.35254	5.4
456.35547	0.7
457.36774	0.8
499.34506	0.5
501.35638	0.6
525.39587	5.8
526.39850	0.9
569.38434	1.0
597.37939	1.1
615.39294	0.6
866.39716	0.4
937.07794	0.4
939.49664	1.0
957.50604	100.0
958.50934	27.2
958.70483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.9
68.99829	2.5
69.03457	0.8
69.57314	0.4
69.63941	3.1
71.01385	34.5
72.99296	3.5
73.02946	2.9
75.00874	12.8
77.73988	0.4
83.01396	4.1
84.02180	0.7
85.02953	33.8
86.03268	1.1
87.00871	3.6
88.98859	0.4
89.02444	11.6
93.03442	0.5
95.01389	12.5
96.01788	0.4
96.96002	0.9
97.02944	1.5
97.22108	0.4
98.20634	0.5
99.00881	13.1
101.01772	0.7
101.02446	9.9
108.02148	0.5
109.02942	0.7
111.00849	1.0
112.01635	0.9
112.63262	0.5
112.98801	1.6
113.02451	40.2
114.02787	1.3
115.00368	1.1
119.03497	3.5
119.05021	1.1
121.02943	0.5
123.04513	1.0
125.02408	0.8
130.99905	0.4
131.03436	0.6
133.02953	0.9
134.03726	0.7
135.04520	2.4
137.02448	1.0
137.87573	0.4
139.00371	1.8
143.03502	1.6
145.02890	0.5
147.08388	0.5
149.00980	1.1
149.02280	0.6
149.04590	0.8
150.03177	1.0
151.03922	0.5
152.01144	0.9
157.01428	1.2
161.02429	1.0
161.04594	2.1
162.03139	0.6
163.03966	0.8
163.11116	0.6
165.05545	0.9
171.79794	0.4
174.01552	0.5
178.02664	0.4
179.03508	1.4
179.05550	0.9
211.62968	0.4
216.44511	0.4
219.02892	0.6
220.85759	0.5
241.05084	0.5
268.66119	0.5
280.07587	0.4
369.23032	0.6
408.72955	0.5
428.38968	0.5
437.34070	1.0
455.35303	2.1
525.39600	3.9
529.00891	0.5
561.25244	0.6
569.38153	1.1
597.37848	1.5
598.39465	0.5
760.57813	0.6
914.42639	0.5
939.49115	0.7
957.50610	100.0
958.50916	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	1.0
68.99820	2.0
69.31085	1.3
69.31487	2.9
70.05061	0.5
71.01386	31.9
72.01727	0.5
72.99316	2.7
73.02954	2.5
75.00878	12.3
83.01400	4.3
84.02155	0.8
85.02957	33.7
86.03300	0.5
87.00876	2.3
89.02451	9.9
95.01393	12.5
97.02942	1.6
99.00893	12.9
101.02450	8.7
111.00976	0.5
112.01678	0.5
112.98806	0.8
113.02455	41.3
114.02860	0.7
115.00364	1.1
116.24767	0.5
119.03501	1.9
125.02459	0.9
126.97953	0.4
128.73763	0.5
135.04504	1.0
136.91533	0.4
136.98517	0.4
139.00372	1.8
143.03523	1.0
157.01433	0.9
161.04570	2.4
179.05574	0.6
183.13782	0.5
227.12865	0.5
439.32718	0.6
455.35370	4.4
457.36804	0.7
464.93771	0.5
499.34662	0.6
525.39563	4.4
526.40009	1.1
569.38531	0.5
597.38043	1.3
633.39807	0.7
657.04260	0.5
927.47009	0.7
939.49518	0.8
957.50635	100.0
958.51001	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	956.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	1.6
71.01387	18.0
71.61041	1.2
72.99295	2.3
73.02935	5.7
75.00887	9.4
83.01393	2.9
85.02946	17.0
86.00079	1.9
87.00875	4.6
87.04527	1.3
89.02428	2.9
95.01377	2.3
97.74374	1.3
99.00881	9.7
101.02460	2.7
103.04052	1.2
113.02449	7.1
115.03952	1.3
116.92839	6.9
117.92936	1.5
122.78887	1.2
125.02410	1.2
131.03485	4.7
142.51350	1.4
143.03497	4.4
154.06206	3.4
205.07162	1.6
227.21312	1.3
252.06139	1.6
437.34494	2.0
893.48993	100.0
894.49396	21.5
956.51105	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	957.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.5
68.99829	1.6
69.03448	1.5
70.06409	1.5
71.01384	32.9
72.01724	0.4
72.98989	0.3
72.99314	3.7
73.02946	8.7
75.00878	12.4
81.03429	0.6
83.01391	4.0
83.05022	1.6
85.02953	18.7
86.00088	1.6
87.00878	10.8
87.04500	2.8
89.02454	10.1
92.00388	0.3
95.01396	4.8
97.02934	1.0
98.19955	0.5
99.00241	0.6
99.00888	13.2
99.04514	0.9
101.02448	14.4
103.04028	3.1
111.00871	0.8
112.01638	0.6
112.98788	0.5
113.02452	15.0
115.00359	0.6
115.04015	3.5
119.03490	1.5
125.02435	0.6
127.03994	0.4
131.03510	6.0
143.03514	7.7
145.05038	1.1
157.01338	0.5
161.04561	1.5
163.06148	2.6
205.07170	4.9
391.81909	0.3
426.10175	0.4
439.31781	0.4
441.33566	0.9
471.34558	1.8
473.36380	0.6
485.14157	0.4
509.36453	1.0
541.38824	1.3
631.38623	0.8
642.26617	0.4
884.62646	0.5
939.49011	1.8
940.49774	0.7
957.50604	100.0
958.50885	29.0
959.51825	0.5
993.47632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	2.7
71.01385	31.7
71.62227	2.3
72.99296	2.8
73.02948	3.7
75.00862	9.6
83.01374	4.9
85.02951	32.6
87.00835	4.2
89.02444	10.9
95.01389	10.8
96.95996	1.9
97.02934	2.1
99.00880	12.7
99.92599	5.3
101.02444	7.9
113.02452	34.0
114.18851	1.8
116.92850	27.1
117.01907	2.0
119.03501	2.4
171.72343	1.8
193.19218	1.9
247.88075	1.9
317.08853	1.9
453.33615	6.0
455.35309	3.9
497.36185	2.1
523.30811	2.5
523.37885	15.3
524.38354	2.7
569.38177	4.8
836.23730	2.0
955.49127	100.0
956.49463	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	955.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	29.0
71.56708	2.9
71.61474	3.9
72.35933	2.6
73.02955	3.0
73.99886	2.3
75.00858	12.0
76.01933	2.5
78.95933	2.5
80.57318	3.0
83.01375	2.7
85.02952	35.6
87.00876	6.4
89.02441	11.1
95.01376	16.6
96.95998	4.3
99.00896	14.6
101.02434	9.5
101.46938	2.9
102.28121	2.6
113.02446	45.2
139.00410	4.6
146.75795	2.7
161.04523	3.7
209.11742	2.9
222.74593	2.4
232.29166	2.5
365.24005	2.6
432.82401	3.6
453.33728	5.5
491.98093	2.9
511.26151	3.6
523.37750	17.2
753.62714	3.1
892.48218	4.7
955.49103	100.0
956.49237	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	955.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.4
68.99820	2.0
69.03445	1.4
71.01381	29.4
72.01709	0.7
72.99307	5.0
73.02949	8.6
74.02338	0.4
74.03267	0.4
74.90394	0.4
75.00873	10.5
81.03434	0.5
83.01385	3.7
85.02429	0.9
85.02950	16.0
86.00103	2.1
87.00877	9.3
87.04516	2.3
89.02435	8.8
95.01400	4.0
96.96024	0.6
97.02966	0.7
99.00883	13.7
99.04518	0.4
101.02446	9.0
103.04000	2.5
111.00887	0.9
112.01645	1.1
112.98898	0.6
113.02443	10.8
114.02766	0.6
115.00365	0.9
115.03996	2.9
119.03495	1.8
119.05053	0.6
119.29340	0.4
125.02432	0.9
131.03496	5.2
135.04564	0.6
137.02414	0.5
143.03490	6.2
145.05124	1.2
157.01395	1.0
161.04514	1.0
163.06094	2.3
205.07123	3.4
208.75670	0.4
361.80823	0.5
453.33636	1.1
469.33289	2.5
470.33786	0.9
471.34711	3.8
472.34824	0.5
513.35522	1.4
537.36102	0.6
539.37408	6.2
540.37610	0.9
553.35406	1.4
567.36725	0.9
585.38092	5.9
586.38416	1.0
603.38947	0.7
627.35126	0.5
629.37048	6.1
630.36938	1.2
747.43671	0.9
748.43268	0.4
893.49286	1.3
937.47675	2.3
938.47943	0.6
955.49072	100.0
956.49390	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	953.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43280	0.8
68.99807	2.7
69.03453	1.1
69.54546	0.8
70.01029	2.5
70.01438	1.7
71.01382	31.6
72.99319	6.0
73.02946	9.3
75.00872	7.0
81.20335	0.8
83.01388	5.9
83.05019	1.0
85.02950	18.8
86.00098	2.8
87.00880	10.6
87.04521	2.6
89.02434	6.9
95.01392	5.1
96.96029	0.9
97.02969	1.4
99.00880	22.3
101.02443	10.7
103.03995	2.3
112.98833	2.1
113.02453	12.8
115.04003	3.7
119.03490	2.2
119.04974	0.9
123.08156	1.5
125.02441	1.9
131.03473	4.2
135.04538	1.9
143.03500	5.8
143.04526	1.2
157.01358	1.2
163.06104	0.9
179.03467	1.0
192.96553	0.9
205.07109	2.3
425.34344	1.1
469.33267	3.1
521.12372	1.0
537.35986	4.3
551.34167	1.4
553.30170	1.0
583.36279	5.1
627.35284	10.1
628.35840	1.9
745.41687	1.4
767.19067	0.9
866.87683	1.0
935.45947	3.9
953.47491	100.0
954.47913	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
67.86931	3.4
69.23761	3.2
71.01382	79.1
72.99316	6.8
73.02952	23.4
80.16577	3.1
83.01392	16.1
85.02954	36.1
87.00871	14.4
89.02456	18.1
95.01379	7.1
96.88210	3.6
96.95973	7.5
97.02961	8.1
99.00869	10.1
101.02443	41.3
109.02989	6.2
112.98792	16.3
113.02464	37.7
119.03464	6.7
121.02991	5.6
124.01672	8.4
125.02476	26.1
133.02968	7.1
135.04483	11.1
143.03522	8.7
149.00911	5.6
161.04576	8.9
163.03918	4.7
165.05518	4.1
179.03496	5.4
210.65196	3.8
280.65051	3.9
318.09070	3.7
359.27982	9.4
725.42529	4.4
743.43787	70.8
744.44073	9.2
761.30939	4.8
761.44763	100.0
762.45282	18.4
779.45697	36.3
803.46088	55.5
804.46173	12.2
821.46869	78.4
822.47034	18.8
863.48419	17.2
864.48535	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	951.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
67.86931	3.4
69.23761	3.2
71.01382	79.1
72.99316	6.8
73.02952	23.4
80.16577	3.1
83.01392	16.1
85.02954	36.1
87.00871	14.4
89.02456	18.1
95.01379	7.1
96.88210	3.6
96.95973	7.5
97.02961	8.1
99.00869	10.1
101.02443	41.3
109.02989	6.2
112.98792	16.3
113.02464	37.7
119.03464	6.7
121.02991	5.6
124.01672	8.4
125.02476	26.1
133.02968	7.1
135.04483	11.1
143.03522	8.7
149.00911	5.6
161.04576	8.9
163.03918	4.7
165.05518	4.1
179.03496	5.4
210.65196	3.8
280.65051	3.9
318.09070	3.7
359.27982	9.4
725.42529	4.4
743.43787	70.8
744.44073	9.2
761.30939	4.8
761.44763	100.0
762.45282	18.4
779.45697	36.3
803.46088	55.5
804.46173	12.2
821.46869	78.4
822.47034	18.8
863.48419	17.2
864.48535	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	951.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	2.4
71.01383	86.9
72.99315	5.4
73.02945	21.0
75.00875	3.3
81.03506	2.7
83.01414	11.6
85.02948	37.9
87.00887	9.5
89.02446	16.6
95.01391	9.2
97.02957	8.2
99.00888	6.3
101.00013	2.0
101.02448	37.8
111.00864	2.4
112.01634	5.2
112.98785	5.2
113.02462	30.2
114.62400	2.1
119.03561	3.7
124.01656	4.9
124.07740	2.1
125.02437	10.3
133.02956	5.0
135.04539	4.8
137.02446	3.3
137.11150	2.3
143.03477	4.0
149.00868	3.6
152.61580	2.0
159.03027	4.1
161.04497	6.2
171.10277	6.0
175.13457	2.2
178.02693	3.0
179.03471	4.8
207.10278	2.7
211.13467	3.2
215.06842	2.7
225.11394	2.9
291.19608	3.4
309.20724	5.3
397.13391	4.4
415.14465	3.3
444.40891	2.7
455.35254	4.6
658.70972	2.6
713.42938	3.1
725.42413	3.0
739.88409	2.5
743.43713	66.5
743.56512	4.6
744.44055	15.3
761.44781	100.0
762.45032	16.7
779.45593	19.4
780.47180	4.7
803.45813	81.0
804.46155	16.9
819.38519	2.8
821.46997	60.8
822.47668	13.0
863.47754	23.0
864.48413	6.5
928.86932	3.1
935.74274	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	949.6102
Annotation	Unknow
Peak:m/z	Relative Intensity
66.58160	0.2
69.03453	1.0
69.94872	1.1
70.50964	0.2
71.01382	13.3
72.99308	1.1
73.02949	2.1
75.00873	0.5
81.03455	0.7
83.01396	1.6
85.02951	3.4
87.00881	3.0
88.71338	0.3
89.02445	12.6
91.04034	0.3
95.01386	1.0
97.02959	2.1
97.06578	0.4
99.00877	0.9
101.02444	10.6
111.00910	0.3
111.04507	0.7
113.02460	5.4
113.09741	1.5
115.04025	0.3
119.03505	3.2
125.02450	5.1
131.03494	0.6
133.05046	0.5
139.04007	0.4
143.03459	2.4
149.04579	0.3
161.04552	2.8
167.03419	0.3
169.05084	0.4
179.05627	2.8
179.14389	1.0
181.12294	0.3
185.04472	0.3
195.13899	14.0
196.14261	0.9
217.07182	0.3
221.06638	0.9
233.22725	0.3
235.08231	5.6
245.06427	0.4
253.09232	1.2
255.23291	33.9
256.23621	2.5
263.07706	0.5
277.21710	12.9
278.22037	0.7
287.07800	1.9
288.08255	0.3
294.76886	0.2
295.22769	100.0
296.23114	7.8
305.08774	2.4
323.09781	0.9
379.12418	0.7
397.13501	62.8
398.13821	4.2
402.19531	0.3
415.14575	19.5
416.14780	1.1
433.21350	0.2
653.37598	5.6
654.37903	0.6
949.54535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
67.29254	12.7
71.01408	21.2
71.61725	19.2
97.02904	13.0
101.02402	16.1
106.66115	10.7
116.92850	100.0
145.60316	11.6
161.02782	11.9
194.27687	11.8
203.21581	11.9
207.10310	15.0
209.11865	84.9
210.12096	24.7
225.11313	24.2
277.21893	62.8
278.22021	41.0
326.31302	13.3
397.13583	27.7
415.13708	13.5
420.52225	12.9
470.34653	13.9
886.48651	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	946.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	21.3
71.25330	12.2
71.25673	15.3
85.02934	9.2
101.02440	18.0
116.92858	71.3
125.02482	11.0
126.76543	8.1
152.59801	8.6
163.11250	11.8
209.11839	100.0
210.12122	35.6
225.11339	21.6
235.08112	10.7
277.21661	41.2
278.21994	34.8
279.70212	9.6
283.44424	9.3
397.13504	21.8
398.13751	11.3
497.07538	12.9
605.59503	9.9
885.47833	10.5
886.48212	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	947.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99807	0.5
69.03454	1.5
70.22705	0.6
70.23098	0.6
71.01385	24.1
72.99312	1.9
73.02946	4.0
73.38690	0.3
75.00883	0.3
81.03442	1.0
83.01398	2.7
83.05032	0.6
85.02951	5.5
87.00877	5.1
89.02446	20.4
90.02753	0.4
91.04030	0.6
93.03500	0.3
95.01381	1.5
97.02953	4.3
97.06582	0.4
99.00906	1.7
99.92569	0.3
101.02448	19.5
103.04071	0.4
104.61409	0.3
109.06541	0.4
110.02377	0.3
111.00921	0.5
111.04526	0.6
113.02455	10.4
113.09727	9.3
115.04008	0.4
119.03503	5.2
121.02939	0.7
121.10155	0.4
124.01678	0.4
125.02451	9.1
127.03992	0.4
131.03502	1.0
133.05045	0.5
139.04013	0.8
139.11270	0.4
141.01903	0.5
141.09218	0.3
143.03496	3.2
149.04549	0.6
161.02533	0.3
161.04546	4.2
167.10745	1.1
169.05099	0.4
171.10303	0.5
174.40063	0.3
176.17632	0.3
177.12907	0.3
179.05614	4.1
179.10750	1.2
185.04497	0.3
195.13916	1.3
217.07130	0.7
221.06622	1.7
221.15425	0.8
235.08228	10.0
236.08574	0.6
236.10674	0.5
245.06607	0.6
249.22223	1.3
253.09337	1.6
255.23294	56.8
256.23624	4.1
263.07742	0.5
275.20270	1.1
277.09268	0.4
277.21451	0.4
287.07803	3.0
288.08221	0.4
293.21228	48.2
294.21576	4.4
305.08762	5.4
323.09903	1.4
340.42755	0.3
379.12512	0.7
397.13495	100.0
398.13840	6.7
415.14545	30.2
415.20438	0.4
416.14865	2.2
570.46844	0.3
653.37555	7.1
653.47894	0.5
654.38269	1.5
900.24072	0.4
948.57458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	0.4
71.61238	0.7
78.95905	51.7
89.02464	0.4
96.96967	6.3
149.14992	0.5
150.97995	2.0
152.99588	100.0
153.99953	1.2
170.99294	0.6
171.00584	3.4
197.57271	0.4
209.11673	0.8
277.21674	4.4
318.29129	0.4
393.98642	0.4
397.13776	0.6
431.22028	34.4
431.31140	8.8
432.22440	3.8
432.32028	0.9
647.63147	0.5
781.31256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.6079
Annotation	Unknow
Peak:m/z	Relative Intensity
68.45894	0.8
78.95906	14.7
98.20625	2.5
103.76500	0.8
110.98530	9.0
116.92831	1.0
118.91493	0.8
122.89216	0.7
141.27544	1.1
153.05814	1.0
160.41336	0.8
167.01157	9.0
178.66420	0.8
182.15060	0.9
185.02234	3.1
191.50784	1.0
208.65701	0.8
255.23291	100.0
256.23663	5.9
277.21844	1.0
279.23254	2.2
423.25150	72.8
424.25409	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	945.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.2
69.32993	8.3
71.01384	39.9
72.99312	2.0
73.02952	28.8
81.03467	1.0
83.01379	9.5
83.05042	3.6
85.02953	15.2
87.00884	2.6
89.02444	12.2
89.92623	0.9
95.01398	3.2
95.05014	1.8
97.02953	3.0
99.00889	1.9
101.02449	29.5
109.03019	1.3
109.06551	1.0
113.02452	26.4
113.06087	2.0
119.03470	4.5
122.03677	1.3
123.04472	1.1
123.08152	2.8
125.02445	2.1
125.06076	1.4
131.03510	3.1
134.09026	0.9
135.04535	3.2
135.08139	1.2
136.05312	3.1
136.82912	1.0
138.06866	12.2
139.07712	4.9
143.03522	4.4
149.00871	2.4
149.04558	6.8
151.07655	8.5
152.08430	27.0
153.09212	62.1
154.09558	3.8
161.02492	1.7
161.04582	16.3
161.09756	4.4
163.04013	1.1
163.11311	0.9
163.22562	1.0
164.08453	1.5
165.09189	3.1
167.07137	0.9
179.03510	1.9
179.05609	1.6
179.10753	11.5
187.11253	1.2
189.09137	1.2
190.09973	1.4
203.05699	4.7
205.12320	32.3
206.12611	2.5
221.06671	6.3
223.13394	16.1
225.14848	1.8
231.14163	0.9
235.80229	0.9
244.89223	1.0
293.03268	1.1
311.04117	1.5
321.22968	0.8
354.86597	1.0
367.17603	100.0
368.17953	10.0
369.18854	3.1
385.18738	14.5
386.19034	2.0
387.20230	2.3
427.19708	99.6
428.20065	12.6
429.21237	14.3
430.21777	1.5
541.48383	1.1
975.42761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28207	1.3
69.03463	1.9
70.77722	2.9
71.01384	17.8
71.05021	2.8
72.99323	2.4
73.02953	4.6
75.98208	1.3
83.01374	2.4
85.02955	6.4
87.00875	6.6
89.02444	9.6
90.85908	1.2
95.01392	1.9
96.77879	1.4
97.02959	11.1
97.06608	2.4
99.00887	21.8
101.02445	10.7
109.06580	2.4
110.03719	1.4
111.32888	1.3
113.02457	5.8
114.82684	1.3
119.03526	1.7
123.08154	1.6
125.02458	7.0
125.09723	5.6
134.52975	1.2
134.68495	1.5
141.90575	1.3
142.02747	3.1
161.04530	1.4
163.11296	12.6
181.12343	23.2
199.13371	3.3
207.10262	69.5
208.10593	3.9
225.11311	98.3
226.11720	6.6
235.08243	3.2
243.12352	39.5
244.12727	3.0
263.07590	2.5
277.21707	57.5
278.22110	5.5
317.16043	2.6
379.12292	2.5
397.13419	10.3
510.53552	1.4
577.36633	1.8
605.24524	30.5
606.24658	3.8
623.25665	28.1
624.26196	2.7
883.46942	100.0
884.47375	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	943.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	2.7
71.01381	19.6
71.05032	2.4
71.95831	1.5
72.99316	1.5
73.02954	3.8
83.01398	2.0
84.46322	1.5
85.02950	5.0
87.00877	4.8
89.02439	10.3
95.01376	1.4
95.05017	1.7
97.02954	12.9
97.06632	1.7
98.20651	3.2
99.00883	21.7
101.02463	9.5
110.03758	1.8
113.02447	7.2
116.92902	1.7
119.03519	3.2
123.08181	2.0
124.01660	2.1
125.02419	7.8
125.09732	6.1
136.05281	1.7
142.02731	2.0
143.03465	1.7
161.04483	2.3
163.11353	9.0
181.12346	20.4
199.13432	2.1
207.10242	63.0
208.10538	2.6
225.11322	83.0
226.11641	4.0
235.08264	3.0
243.12352	27.8
263.07916	1.7
277.21707	60.4
278.22055	4.3
397.13525	10.4
605.24536	21.6
606.24237	2.2
623.25629	10.6
652.12811	1.8
883.46985	100.0
884.47174	23.0
950.02570	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	943.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01877	0.6
68.99809	1.4
69.03457	1.3
71.01382	33.4
71.05003	0.8
71.62007	0.9
72.99316	4.3
73.02950	8.5
75.00875	17.0
80.03268	0.6
82.48254	0.5
83.01387	3.2
83.05028	2.2
84.02167	1.2
85.02950	34.6
86.00084	2.2
86.03271	0.9
87.00879	14.4
87.04517	3.7
89.02448	6.7
95.01403	4.7
97.02927	0.8
99.00880	19.7
99.04503	1.6
101.02448	6.2
103.00382	0.8
103.03989	1.5
108.02174	1.4
109.02975	1.3
111.00879	0.8
112.01673	1.6
112.98788	2.6
113.02451	24.9
114.02803	0.6
115.00379	0.9
115.04012	2.7
116.92754	0.6
119.03506	0.9
119.05053	2.8
120.01263	3.5
121.02957	3.3
125.02436	0.8
129.01990	0.7
130.99864	0.7
131.03522	9.7
132.05450	0.6
135.04515	4.2
137.02391	0.9
139.00365	1.4
143.03503	7.3
145.02998	0.6
145.05064	1.1
149.00903	2.4
150.03212	1.6
151.00305	0.6
151.03984	0.9
152.01143	1.0
157.01385	1.7
161.02429	1.3
161.04495	0.9
163.03983	2.8
163.06174	1.3
165.05525	1.2
177.01927	1.7
177.05547	0.6
178.02730	0.8
179.03471	2.9
179.10809	1.5
181.08672	0.8
183.13980	0.8
195.06566	0.6
205.07106	2.8
223.13306	0.8
225.14923	0.9
227.12798	1.0
231.19078	0.6
268.04163	0.6
276.90295	0.6
337.09290	0.9
337.80862	0.6
371.14771	0.8
387.20114	0.7
389.18015	0.7
409.30890	2.2
457.33133	1.4
489.36249	3.4
489.42126	0.7
519.24554	0.7
543.24225	1.5
561.25494	4.6
562.25024	0.9
603.38678	1.7
647.37585	0.6
695.34509	0.6
737.26532	1.0
767.34534	2.1
811.37195	0.9
882.73145	0.7
925.47510	1.1
943.49103	100.0
944.49487	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	941.511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.2
69.69364	1.8
70.25258	1.6
71.01389	23.0
72.99294	2.1
73.02940	4.1
79.64227	2.5
85.02949	3.0
87.00876	6.2
89.02438	15.1
97.02982	3.6
98.19763	3.6
99.92585	3.0
101.02459	14.4
109.07455	1.8
113.02459	8.2
116.92863	21.6
119.03504	5.0
125.02444	7.7
161.04500	3.0
167.10825	2.7
179.05592	3.7
179.14346	2.7
195.13913	11.8
205.12308	10.2
213.03253	1.9
221.06531	3.3
223.13388	100.0
224.13676	6.2
235.08243	5.3
249.93604	2.2
277.21704	73.8
278.22015	7.6
285.11218	1.8
287.07761	2.9
379.12436	11.6
397.13504	63.5
398.13898	7.8
406.41074	1.7
415.14450	12.0
603.26624	12.8
621.27423	9.8
632.39935	2.0
654.78522	1.9
675.36041	5.1
832.39807	2.4
881.48999	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	941.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01910	0.7
68.99814	2.3
69.03447	1.4
69.30015	5.6
71.01384	32.6
72.23167	0.6
72.99305	4.8
73.02949	8.8
75.00880	13.1
76.47185	0.5
83.01385	5.1
83.05013	0.7
85.02954	19.6
86.00108	1.8
87.00874	11.2
87.04523	2.4
89.02447	8.5
95.01399	5.1
97.02952	1.3
99.00887	12.8
99.04514	0.6
101.02444	12.9
103.04012	3.1
108.02171	0.9
109.02974	1.1
111.00885	1.1
112.98808	2.4
113.02452	13.3
115.03999	3.5
119.03481	2.3
119.05027	0.7
121.03015	0.5
125.02409	0.8
131.03510	5.4
133.02904	0.7
134.03755	1.0
135.04524	3.4
137.02409	0.8
139.00381	0.8
143.03522	6.1
145.05025	1.6
149.00951	1.2
151.04007	0.6
152.01057	1.6
157.01410	1.2
159.07097	0.5
161.04538	1.8
163.04033	0.8
163.06111	2.0
179.03354	0.8
193.04865	0.7
205.07111	4.2
205.21028	0.5
301.64011	0.5
353.23035	0.6
400.34305	0.6
423.32755	1.0
455.35211	2.5
456.11148	0.6
504.01297	0.6
525.39404	1.8
551.17725	0.6
573.67279	0.6
758.75769	0.7
828.20001	0.6
923.51062	1.2
941.51086	100.0
942.51440	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01902	1.0
67.46970	0.4
68.99816	1.6
69.03460	1.7
71.01384	32.8
72.01680	0.4
72.11854	0.4
72.99315	4.1
73.02950	9.2
75.00874	11.6
81.03484	0.5
83.01394	4.9
85.02954	19.0
86.00111	2.2
87.00433	0.3
87.00875	11.5
87.04514	3.4
89.02444	8.4
95.01382	4.8
97.02974	1.3
99.00884	12.6
99.04537	0.5
101.01771	0.7
101.02442	12.0
103.04014	3.4
105.72821	0.4
111.00870	0.9
112.01665	0.7
113.02452	12.9
115.00410	0.6
115.04014	3.7
119.03495	1.6
125.02431	0.8
127.04023	0.6
131.03499	6.5
135.04509	0.5
139.00349	0.6
143.03496	5.8
143.78078	0.4
144.30235	0.4
145.05046	1.1
149.00896	0.7
155.73804	0.4
157.01382	1.0
161.04546	1.8
163.06081	2.7
205.07161	3.4
229.67537	0.4
247.08400	0.6
247.49425	0.5
276.05371	0.4
338.25497	0.4
437.34372	0.8
455.35110	2.2
525.39355	1.6
526.39557	0.4
615.39124	0.9
923.50500	1.6
924.50153	0.5
941.51129	100.0
942.51465	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.7
68.99809	2.1
69.03458	1.0
69.51266	1.8
69.51678	0.8
71.01382	30.6
71.04984	0.4
72.01707	0.3
72.99309	2.9
73.02950	2.9
75.00872	16.7
83.01389	3.5
85.02951	12.6
87.00874	4.0
89.02445	11.2
95.01388	4.6
96.42139	0.3
97.02968	0.6
98.20664	0.6
99.00880	16.1
99.04532	0.5
101.02444	14.2
101.06047	0.5
111.00861	1.0
112.01649	0.5
112.98840	0.4
113.02452	11.0
114.02761	0.4
115.00349	0.9
119.03504	2.0
125.02405	0.4
131.03500	0.4
135.04518	1.7
139.00394	0.8
143.03534	0.4
149.00957	0.5
152.01125	0.6
157.01424	1.1
161.04539	1.2
179.03532	0.3
179.05629	0.4
182.18916	0.3
195.25131	0.3
208.99397	0.3
455.35352	2.0
457.36752	0.9
475.52829	0.3
491.35828	0.3
499.33920	0.5
501.35760	0.4
525.20569	0.3
525.39441	1.3
563.24030	0.3
569.38586	0.5
615.38605	0.4
761.43994	0.5
941.51099	100.0
942.51367	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	941.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	2.5
71.01384	34.3
72.15594	0.9
72.99316	4.9
73.02955	5.3
75.00877	16.0
83.01392	4.8
85.02958	15.8
87.00881	7.2
89.02461	10.7
95.01402	7.0
96.96016	2.2
97.02953	0.9
99.00880	19.6
99.92596	0.8
101.02441	17.7
103.00412	1.4
108.02158	3.2
109.02969	2.7
112.98814	5.7
113.01706	1.1
113.02453	13.2
116.92809	1.2
118.98075	2.3
119.03519	1.5
119.05003	2.0
121.02975	2.0
123.04511	1.7
125.02440	1.2
125.51305	0.9
133.02969	1.4
134.03720	2.5
135.04527	8.8
137.02412	1.5
149.00873	2.1
149.04556	1.4
149.06177	1.2
150.03177	2.2
151.04037	0.9
152.01164	3.5
157.01384	1.2
161.02480	1.6
161.04555	2.0
163.04019	2.5
165.05551	1.9
167.03503	1.0
175.04025	1.4
177.05516	1.9
178.02774	1.3
179.03514	4.6
193.05098	1.0
196.44670	0.9
205.05061	1.3
207.06464	1.1
229.41428	1.0
275.09192	2.1
536.72760	1.0
809.30249	1.2
832.55573	1.1
941.51245	100.0
942.51459	27.7
950.55457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01877	0.7
68.99826	2.8
69.03455	1.1
71.01385	33.4
72.01735	0.5
72.99315	2.9
72.99915	0.4
73.02944	2.7
75.00881	12.3
82.83916	0.4
83.01399	4.7
85.02953	37.5
86.03288	0.5
87.00887	2.8
89.02448	8.3
95.01395	13.1
97.02957	0.9
98.19842	1.4
99.00884	12.8
101.02448	10.9
102.27327	0.4
111.00868	0.7
112.01659	1.1
113.02453	41.9
114.02732	0.6
115.00362	1.5
119.03496	2.4
125.02467	0.7
131.03476	0.4
139.00374	1.6
143.03477	0.6
157.01508	0.6
157.32172	0.5
161.04546	2.0
179.05586	0.7
229.73108	0.6
330.15659	0.5
342.08694	0.5
351.58981	0.5
352.00955	0.5
439.35809	5.9
440.36096	0.8
509.40057	5.4
510.40121	1.1
553.39087	1.0
581.38287	1.2
617.40778	0.8
726.04169	0.5
941.51117	100.0
942.51404	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	1.1
68.99825	2.8
69.03467	0.8
69.34516	4.0
71.01385	26.5
72.99298	1.9
73.02948	2.7
75.00874	11.5
83.01385	4.1
84.02166	1.0
85.02953	37.7
86.03277	0.7
87.00880	3.2
89.02452	6.0
95.01390	16.9
97.02937	2.0
99.00883	12.1
101.02453	9.0
112.01709	0.5
113.02451	46.4
114.02769	1.2
115.00393	0.9
116.59876	0.4
119.03481	1.5
125.02430	1.1
135.04465	0.6
139.00345	1.5
143.03470	1.9
157.01416	1.2
161.04547	2.9
179.05551	0.5
423.32721	0.5
439.35764	5.0
440.36148	0.6
509.39893	5.5
510.40573	1.0
526.38361	0.5
553.38788	1.1
581.38379	1.5
617.40112	0.5
923.49994	0.8
940.18488	0.4
941.51129	100.0
942.51312	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	941.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99833	2.5
69.03452	1.4
69.98740	0.5
70.62245	1.0
70.62616	1.0
71.01385	30.7
72.99321	3.4
73.02944	8.8
75.00877	14.9
83.01389	3.2
85.02954	26.7
86.00096	2.3
86.03299	0.4
87.00877	11.5
87.04500	3.3
89.02448	7.8
95.01387	5.8
97.02925	1.3
99.00884	14.3
101.02448	12.7
103.04019	2.5
109.02946	0.6
111.00864	0.6
112.01637	1.3
112.98803	0.7
113.02448	18.3
114.02726	0.6
115.00346	0.6
115.04015	3.6
119.03498	1.9
120.53416	0.7
125.02477	0.8
130.45210	0.5
131.03513	6.0
139.00363	0.8
143.03517	6.5
143.29657	0.5
145.05035	1.7
157.01418	1.2
159.02966	0.5
161.04570	0.9
163.06091	1.8
183.60565	0.5
187.31505	0.6
205.07123	4.3
265.00540	0.5
437.33948	0.8
457.37073	0.6
467.61014	0.5
646.11768	0.5
893.45013	0.5
923.50525	1.7
941.51172	100.0
942.51508	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	941.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	0.6
68.99826	2.2
69.03458	1.3
69.82592	2.0
71.01389	33.9
72.99311	4.6
73.02950	9.9
75.00877	13.8
81.03434	0.5
83.01393	5.4
85.02957	22.8
86.00110	2.7
86.03278	0.6
87.00886	11.5
87.04525	2.6
89.02449	9.1
95.01402	6.7
97.02950	1.6
99.00889	14.0
99.04526	0.6
101.01769	0.8
101.02448	15.1
103.04011	3.8
111.00882	0.9
113.02457	13.2
115.04024	3.7
119.03502	2.0
125.02472	0.9
127.03989	0.8
130.18651	0.4
131.03519	7.1
135.04460	0.4
137.74974	0.4
139.00346	0.4
143.03491	7.7
145.05054	1.5
157.01367	1.0
161.04564	1.8
163.06108	2.1
205.07187	4.1
293.49197	0.4
310.69168	0.4
322.44553	0.4
424.84534	0.5
439.31610	0.9
455.35254	3.5
457.36670	0.6
501.36209	0.5
525.39355	1.8
615.38831	0.8
879.51001	0.8
923.50201	1.5
941.51190	100.0
942.51483	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	938.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	2.0
71.01389	13.7
71.10114	3.8
72.99277	2.6
75.00880	10.1
80.76834	1.6
83.01368	2.5
85.02949	10.8
89.02441	5.6
97.02946	6.2
99.00861	9.8
113.02437	6.2
119.96799	1.8
125.02439	11.6
127.10725	1.8
175.90662	1.7
277.21625	1.8
408.94897	2.4
721.91705	1.9
729.63690	1.8
809.11401	1.9
875.47937	100.0
876.48499	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	939.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29173	4.6
69.29587	9.9
71.01385	31.3
72.99306	4.3
73.02949	6.6
75.00879	13.4
83.01383	4.3
85.02956	24.0
86.00094	2.8
87.00407	1.8
87.00877	11.4
87.04497	3.3
89.02447	9.6
95.01371	5.1
96.96017	1.6
97.02946	1.9
99.00887	18.4
101.02448	12.3
103.03993	2.1
112.51953	1.2
113.02455	15.7
115.04063	3.6
119.51196	1.7
122.30888	1.4
131.03465	5.1
143.03471	6.9
151.73297	1.4
163.06084	2.0
176.81078	1.4
200.93095	1.8
205.07173	4.1
254.74968	1.8
349.35995	1.6
371.79269	1.7
407.33142	1.9
457.32135	1.6
467.65573	1.8
633.22968	1.9
635.25311	3.8
665.60779	1.7
921.49518	2.2
939.49622	100.0
940.49792	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	937.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00303	0.6
71.01404	0.5
72.99305	0.5
73.03249	0.4
83.01414	0.6
87.00855	0.5
93.03456	0.6
98.20705	0.9
101.02402	0.4
101.04916	0.4
107.01398	1.3
108.02181	1.8
109.02933	2.0
121.02950	1.1
121.24587	0.4
125.02437	0.5
134.03746	0.4
135.00856	0.4
135.04495	0.4
143.05066	0.4
148.01706	0.6
149.00923	0.6
149.06100	0.5
151.00371	6.6
152.01108	1.4
153.01924	1.6
161.02495	0.6
163.00363	1.6
163.04022	0.7
178.99879	3.7
179.12714	0.4
187.04155	0.4
192.00639	0.4
193.05061	0.6
194.05388	0.5
194.35364	0.4
199.03999	0.6
211.03978	0.6
211.13434	0.4
215.03273	0.4
226.02715	0.9
227.03522	1.6
230.02350	0.5
243.02982	5.1
245.04555	0.7
254.02203	1.1
255.02983	14.4
256.03348	1.4
271.02469	28.3
272.02936	2.5
273.04169	0.6
283.02274	0.7
283.13397	0.6
299.02039	0.6
299.28448	0.4
300.02747	60.0
301.03464	22.8
302.03885	1.3
355.59879	0.4
417.10672	0.5
553.12256	0.6
609.14594	100.0
610.14862	12.8
611.15155	0.7
715.17596	0.8
787.31415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00305	0.5
69.29547	0.3
71.01382	2.8
71.62389	0.4
72.99304	0.6
73.02945	0.9
83.01388	0.9
85.02959	1.2
87.00880	1.6
89.02466	1.9
90.39216	0.3
95.01403	0.5
97.53463	0.3
99.00877	0.3
101.02457	2.2
103.00392	0.3
107.01379	1.7
108.02200	0.5
109.02959	1.3
112.98774	0.3
113.02454	2.2
119.03526	0.4
119.05045	0.7
121.02939	0.9
125.02400	0.4
127.90904	0.3
130.99826	0.4
133.02937	0.9
134.03749	0.6
135.00870	0.8
135.04532	6.4
136.04803	0.3
137.02420	0.6
139.00468	0.3
147.04582	0.4
148.01701	0.8
149.00912	6.3
151.00369	6.4
151.03999	0.3
152.00737	0.4
152.97731	0.3
153.01932	0.3
158.74849	0.3
161.02437	0.7
161.04524	0.3
163.00351	1.8
163.04010	0.8
164.01164	0.4
169.01389	0.4
178.99886	3.4
179.03493	6.8
191.03497	0.4
195.08130	0.9
199.03860	0.3
203.03519	0.4
207.13916	0.7
211.03949	0.6
219.02895	0.8
225.14912	1.6
226.02740	0.7
227.03549	1.4
229.05067	0.4
237.86868	0.3
243.02972	5.2
244.03455	0.4
245.04494	0.6
248.21408	0.3
254.02177	1.4
255.02963	14.6
256.03290	1.2
271.02466	31.5
272.02869	3.6
273.03897	0.6
283.02454	0.7
293.02991	1.8
299.01929	1.1
300.02747	70.3
301.03445	30.5
302.03815	2.8
311.04053	6.5
312.04584	0.4
343.04327	0.4
369.19171	11.4
370.19437	0.9
387.20209	7.4
387.24857	0.6
388.20691	0.7
429.21255	14.3
430.21576	1.6
461.07874	0.4
463.08807	100.0
464.09113	11.9
465.09241	1.5
473.07947	0.5
473.14569	1.6
543.16284	0.3
805.31696	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	931.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	2.9
69.65232	2.4
69.65639	7.6
71.01383	67.6
72.01714	1.5
72.99298	2.7
73.02951	30.7
73.76221	1.4
83.01388	9.3
85.02952	26.1
87.00875	5.7
89.02450	20.6
93.03412	1.5
93.61609	1.5
94.65388	1.4
95.01390	6.5
97.58353	1.3
99.00877	7.2
101.02449	45.8
109.02945	1.7
112.98844	1.6
113.02452	27.3
119.03519	8.5
119.05011	3.6
121.02959	2.2
123.04537	13.2
125.02451	1.7
131.03485	2.1
133.03050	1.6
135.04547	20.6
136.04834	2.4
137.02455	1.6
137.06120	2.5
143.03464	4.2
145.02972	1.8
147.04430	2.2
149.00928	2.9
149.02461	1.9
149.04544	5.6
152.01186	1.7
159.02983	3.5
161.02454	3.2
161.04543	24.5
163.04012	6.0
165.05611	1.5
167.03400	1.7
175.03957	2.6
177.01845	2.1
179.03496	8.3
179.05620	4.4
180.03773	1.3
181.05037	5.0
192.78833	1.3
195.08176	1.8
203.03737	1.7
203.05569	6.9
221.06624	2.5
221.09697	2.5
223.11327	1.8
273.71851	1.4
277.03571	3.2
293.03073	3.5
295.04453	1.8
309.74103	1.6
369.19064	5.9
371.20703	7.4
387.20230	40.5
388.20490	2.7
413.21875	19.8
427.32315	1.6
429.21262	100.0
430.21622	9.9
473.14597	11.6
474.15076	2.2
683.29236	1.9
695.28815	3.1
696.29156	2.2
725.29956	6.1
940.29309	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	927.4962
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
67.01908	0.6
68.99806	1.6
69.03440	1.1
69.27264	3.8
69.56709	0.4
71.01382	27.4
71.05023	0.8
72.01701	0.5
72.99301	2.7
73.02948	9.4
75.00873	15.3
81.03436	0.5
83.01392	2.6
83.05031	3.6
85.02951	24.5
86.00096	2.3
87.00876	10.0
87.04520	4.4
89.02433	4.3
95.01400	2.6
97.02928	1.0
99.00885	16.5
99.04535	2.8
101.01981	0.3
101.02454	3.5
111.00863	0.7
112.01634	0.4
112.98793	0.5
113.02454	13.3
114.02753	0.6
115.00392	1.0
115.04004	4.2
131.03506	8.8
143.03511	5.6
145.05051	0.9
149.00916	0.5
149.04286	0.4
157.01405	1.1
161.04536	0.4
163.06100	1.5
205.07150	3.0
297.48090	0.4
323.92856	0.4
363.66263	0.6
409.30768	0.5
413.93463	0.4
439.32086	0.8
441.33636	1.0
471.34451	2.1
473.36429	2.0
509.36237	0.6
525.35773	0.7
527.67627	0.5
541.38464	0.6
555.36761	2.6
556.37433	0.7
587.39948	2.7
588.39661	0.6
682.03229	0.5
909.48804	0.8
927.49591	100.0
928.49915	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4955
Annotation	Prenylagaramide B
Peak:m/z	Relative Intensity
67.01888	1.4
68.99813	2.0
69.03442	1.2
70.58068	1.2
70.58423	0.5
71.01381	27.6
71.92365	0.4
72.01707	0.5
72.99296	3.4
73.02955	3.0
75.00871	13.2
81.96947	0.4
83.01396	4.3
84.02173	0.6
85.02949	32.9
86.03273	1.0
87.00877	3.1
89.01906	0.8
89.02435	8.7
95.01381	6.9
97.02921	1.0
99.00240	0.8
99.00879	14.4
99.04540	0.7
101.02448	9.2
101.06031	0.5
109.02959	0.7
111.00858	1.1
112.01680	0.8
112.98796	1.8
113.02448	19.8
114.02766	0.5
115.00375	1.1
119.03464	2.7
119.04984	0.5
125.02401	0.8
131.03490	2.7
135.04514	1.7
137.02457	0.6
139.00354	1.7
140.80367	0.5
143.03487	1.2
149.00873	1.3
157.01402	1.0
163.04024	0.5
169.27722	0.4
179.03557	0.9
179.05579	0.8
211.13327	0.7
246.51054	0.4
455.35309	5.3
457.36975	0.5
525.39435	5.0
526.40131	0.7
537.33160	0.7
569.38104	1.1
597.38330	1.1
615.38934	0.7
635.38159	0.8
650.51050	0.6
742.98840	0.5
909.48273	1.3
927.49591	100.0
928.49890	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	929.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
68.13180	0.2
69.61613	1.4
71.01391	1.4
73.02947	0.4
73.56544	0.2
83.01399	0.3
85.02965	0.6
87.00883	0.5
89.02443	0.6
93.03443	0.3
99.00883	0.8
101.02439	1.1
107.05023	2.8
108.02119	0.3
112.98796	0.3
113.02457	1.0
117.03434	0.3
118.65152	0.2
119.05018	0.4
123.04515	0.4
123.08150	0.5
130.99954	0.3
132.02202	1.4
133.02965	3.7
134.03778	2.1
135.04524	100.0
136.04848	3.8
137.02402	0.5
137.06091	3.3
140.83878	0.2
145.03026	0.3
149.00899	0.5
149.02480	0.3
149.04495	0.3
151.04012	0.6
153.05576	0.8
160.01649	0.8
161.02443	17.3
161.04526	0.6
162.02791	1.0
163.04013	0.9
165.02007	0.2
177.02130	0.3
179.03496	12.2
180.03796	0.4
181.05049	0.9
189.12820	0.7
207.13875	0.5
253.07040	0.3
275.09268	0.5
288.65076	0.2
297.09784	1.8
299.11475	1.4
323.07733	3.6
340.50446	0.2
341.08755	0.9
341.12448	0.3
342.64093	0.2
343.10123	0.3
519.24451	0.4
543.24530	0.5
561.25696	1.2
624.69537	0.3
663.27289	0.3
681.16095	0.3
681.27179	1.3
704.67114	0.2
723.28680	17.5
724.29089	3.9
885.34052	4.0
886.33728	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99827	2.4
69.03459	1.7
71.01385	47.9
72.01699	0.9
72.99310	4.3
73.02946	16.1
75.00872	16.6
75.72976	0.7
81.03452	1.0
83.01397	6.4
83.05025	0.7
84.02176	0.8
85.02953	44.5
85.43353	0.9
86.00109	2.0
87.00877	15.3
87.04501	3.0
89.02441	12.2
93.03477	1.0
93.98331	0.6
95.01387	6.1
97.02943	2.1
99.00881	31.9
99.04521	1.0
101.02443	15.0
103.00353	1.2
107.04998	0.8
108.02164	0.7
109.02974	0.8
111.00848	1.3
111.04556	0.7
112.01707	1.0
112.98837	3.4
113.02453	36.7
114.02819	0.8
115.04004	3.8
119.03481	1.1
119.05012	2.2
125.02428	2.4
129.02043	0.8
130.99872	0.6
131.03505	10.0
133.02914	0.7
134.03751	1.2
135.04509	3.7
137.02412	1.9
143.03490	8.9
145.02983	1.6
145.05020	1.1
149.00888	3.0
149.02393	0.8
149.04533	6.9
149.05936	1.3
150.03206	2.6
151.03984	0.9
152.01175	1.1
155.03497	1.0
157.01471	0.9
159.03017	1.5
159.04312	0.6
161.04596	5.6
163.03999	1.9
163.06102	1.6
164.04782	0.7
165.01883	2.5
165.05559	2.1
167.03467	2.5
168.93428	0.6
172.50035	0.8
177.01913	1.0
179.03491	2.0
180.04248	0.7
181.04987	1.1
191.05656	5.6
193.05096	1.7
193.08614	0.9
195.06654	1.2
203.05568	2.5
203.10825	1.2
205.07173	4.0
207.10469	0.9
223.13277	3.2
233.06590	1.9
263.39200	0.6
267.12350	1.7
269.10278	7.1
275.38480	0.7
311.11395	3.6
335.09818	0.8
337.09277	18.1
338.09598	1.0
355.15555	0.9
389.25363	1.0
413.21268	0.8
462.79697	0.9
468.94629	0.8
503.25208	1.7
527.24939	2.0
545.26074	36.4
546.26440	6.1
613.25122	7.6
614.25616	1.0
619.77521	0.9
656.93262	0.8
679.24823	0.9
795.38232	2.1
927.49646	100.0
928.49841	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	0.4
69.03456	0.6
71.01385	2.4
71.63055	0.4
71.82716	0.3
72.99300	0.5
73.02939	0.6
81.03439	0.6
83.01391	1.3
85.02942	0.4
85.26678	0.3
87.00877	0.8
89.02459	1.3
95.01422	0.4
96.96033	0.9
98.38863	0.3
99.00871	0.8
101.02445	0.6
103.00349	0.4
105.03442	0.3
107.05022	0.4
107.08671	1.3
108.02199	0.6
109.02939	0.8
109.06596	5.2
112.98827	1.5
113.02431	0.7
119.04977	0.6
120.01244	0.5
121.02959	0.6
122.03735	0.3
123.00859	0.3
124.01664	16.0
125.02465	1.9
125.08793	0.4
125.09723	8.7
130.99950	0.3
133.02910	0.6
134.03763	0.5
135.04572	2.0
135.05431	0.3
136.04913	0.3
137.02428	3.7
137.09818	0.3
139.04018	0.6
145.02904	0.3
147.08153	0.4
148.01665	0.6
149.00940	1.2
149.02403	1.6
149.04530	0.3
149.06010	0.6
149.09718	7.7
150.03238	2.5
151.03978	0.4
151.07623	3.4
152.01099	0.4
153.01907	0.4
161.02448	0.8
163.00325	0.3
163.04015	0.6
165.05557	1.1
166.02670	0.4
167.03505	0.7
176.01152	2.4
177.01874	1.1
177.05534	0.8
179.03496	0.8
183.13922	1.1
189.09125	0.4
190.02759	0.4
191.03505	1.6
191.07123	0.9
192.07930	0.3
193.08690	100.0
194.09036	4.8
205.08675	0.4
207.10251	0.3
217.08685	3.3
223.13371	0.3
227.12993	0.5
233.08209	0.5
235.09702	0.8
245.08109	1.3
259.09668	1.0
269.45273	0.3
275.09180	0.7
287.09421	0.3
288.09546	0.5
293.03210	0.3
293.08661	1.0
300.02676	0.3
369.09515	0.3
383.11432	0.8
384.11673	0.3
385.12900	6.0
386.13263	0.9
427.13797	0.4
463.21863	1.1
487.18219	5.2
488.18365	1.1
547.17004	0.3
589.19226	26.6
590.19623	4.0
631.20715	0.5
679.22369	5.7
680.23138	1.1
841.62329	0.3
883.29016	5.3
884.28851	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	925.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00528	1.8
71.01385	72.0
71.62434	3.1
72.99323	3.5
73.02970	3.0
85.02969	6.0
87.00875	4.2
89.02442	13.7
97.02955	4.1
99.00893	4.2
99.92583	7.5
101.02464	12.3
101.61790	2.3
109.06620	3.1
113.02463	7.5
116.92865	45.0
119.03515	2.6
125.02439	5.8
125.09737	2.4
126.98096	1.8
127.11319	2.4
155.57004	2.1
161.04614	3.3
171.10255	37.2
179.05576	4.1
181.12389	2.7
199.09734	9.6
201.11339	7.1
207.10289	14.5
221.06737	3.2
225.11359	9.2
235.08226	4.0
236.70566	2.1
247.94478	1.9
254.89497	2.3
277.21735	100.0
278.22055	7.8
283.26434	60.4
284.26563	3.4
287.07864	2.4
305.08682	2.9
379.12372	4.4
394.52844	2.3
397.13504	28.1
398.13525	2.4
415.14548	7.5
583.43481	2.1
825.91473	2.3
863.50494	3.8
889.51678	6.7
890.51880	3.3
925.53760	11.2
926.55432	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	925.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01904	0.6
68.99818	2.3
69.03460	1.6
69.44927	1.7
71.01384	37.0
72.01711	0.4
72.99307	4.1
73.02947	10.1
75.00873	14.6
81.03466	0.5
83.01387	6.2
83.05032	0.3
84.02133	0.3
85.02951	20.5
86.00090	2.6
86.03302	0.5
87.00881	11.1
87.04514	3.4
89.02445	9.8
91.45402	0.2
95.01389	5.5
97.02958	1.1
99.00880	14.0
99.04503	0.4
101.02444	15.3
102.02773	0.4
103.04004	3.7
111.00873	0.7
112.01686	1.1
112.02428	0.3
113.02454	13.4
115.00363	0.6
115.04015	4.4
119.03516	2.2
119.09714	0.3
125.02470	0.9
125.44153	0.3
127.04024	0.4
128.98549	0.3
129.01938	0.4
131.03500	6.9
139.00368	0.6
143.03502	7.9
143.39903	0.2
145.05031	1.4
157.01422	0.8
161.04549	1.4
163.06131	2.5
188.08960	0.3
205.07172	4.7
247.08205	0.3
439.35791	4.6
440.36121	0.7
441.37607	0.4
509.39828	3.1
510.40515	0.3
553.39227	0.5
581.38934	0.5
599.39215	0.7
774.82599	0.3
863.51306	0.5
907.50281	2.0
908.51520	0.7
925.51648	100.0
926.51978	26.1
934.96155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78075	0.4
67.01883	0.8
68.99812	3.3
69.03437	1.8
69.48122	0.4
69.74304	1.4
69.74719	1.5
71.01385	36.4
72.01736	0.7
72.99303	3.7
73.02947	8.8
75.00875	12.7
83.01387	6.0
85.02435	1.1
85.02953	20.9
86.00097	2.1
87.00880	10.9
87.04535	2.3
89.02449	8.9
95.01380	4.8
97.02938	1.0
99.00882	14.1
99.04468	0.7
101.02447	12.9
103.04047	2.8
103.04587	0.6
111.00854	0.7
112.01639	0.9
113.01714	0.6
113.02455	11.4
115.04012	3.2
119.03475	1.5
125.02425	0.8
127.03980	1.2
131.03510	5.8
139.00352	0.6
143.03505	7.5
145.05057	1.8
157.01344	1.3
161.04585	1.4
163.06091	2.3
205.07170	5.3
222.45972	0.6
247.08093	0.6
308.65985	0.5
421.31247	1.0
437.34244	5.5
438.34552	1.0
507.38382	1.9
527.80243	0.6
579.36597	0.6
597.38000	0.8
688.95575	0.6
695.96417	0.5
745.79443	0.7
905.49542	2.5
923.50098	100.0
924.50409	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	924.481
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77193	13.0
71.01392	17.4
71.61387	12.9
73.47659	14.3
87.00871	14.1
116.92862	100.0
117.92942	14.0
145.90683	11.7
165.51799	11.1
171.10355	12.7
209.11771	18.0
226.11519	16.6
255.23299	34.0
256.23730	15.9
304.56107	12.5
397.12979	14.6
398.29053	11.7
449.81146	12.9
515.09204	14.4
553.89417	16.2
864.49359	37.2
925.48529	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	925.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	2.0
69.03457	1.3
71.01384	27.5
71.30963	1.3
72.99304	2.3
73.02940	8.1
74.15866	0.8
75.00876	13.0
83.01379	2.7
83.05027	0.9
85.02956	19.2
86.00091	1.9
87.00877	9.7
87.04504	2.7
89.02431	3.0
95.01376	3.3
99.00883	17.1
101.02444	3.4
103.03967	1.5
112.98837	1.4
113.02448	10.2
115.00362	1.2
115.04009	3.0
119.05038	0.9
119.80036	0.9
131.03481	6.4
135.04543	1.5
139.00288	0.8
143.03496	5.3
143.76915	0.9
145.05087	0.9
149.00894	1.6
150.63881	0.8
163.03932	1.0
163.06091	0.9
205.07127	1.3
227.13087	1.3
243.40984	0.8
263.16553	1.0
390.68265	0.8
453.94495	1.0
469.33252	4.3
471.34808	6.1
480.13147	0.9
513.35773	1.1
534.20972	1.1
539.37390	3.7
553.35345	1.3
585.37988	9.9
586.38342	1.2
603.39044	1.3
629.36475	4.7
717.42059	1.5
862.34924	1.0
925.48029	100.0
926.48364	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	2.1
71.01385	27.6
71.05014	1.9
72.99318	2.1
73.02954	6.1
75.00894	5.0
85.02956	10.4
85.35536	2.0
87.00880	7.3
89.02444	8.6
95.01395	3.2
97.02969	8.1
97.06569	3.4
99.00878	23.8
99.92606	2.7
101.02457	11.9
113.02474	8.2
116.92870	15.6
119.03483	2.5
121.02994	1.9
125.02463	5.6
125.09712	5.3
131.03500	1.7
142.02686	2.9
143.03493	2.6
157.89558	1.9
163.11310	11.5
180.12286	1.8
181.12314	16.8
183.87779	1.6
193.47591	1.5
207.10246	47.3
208.10579	2.7
225.11310	73.8
226.11635	4.4
229.54813	2.4
235.08310	4.0
243.12357	23.5
255.23299	64.8
256.23572	4.9
312.73837	1.8
314.95822	1.6
379.12402	3.4
397.13544	11.0
405.17661	1.8
415.14420	1.8
485.04819	1.7
547.18866	1.9
605.24298	21.9
606.24591	2.9
623.25452	8.5
861.48547	100.0
862.48987	29.6
921.52026	26.3
922.52679	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	921.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01907	0.3
68.99815	3.2
69.03454	1.6
71.01384	27.3
71.10319	0.8
72.01704	0.5
72.99314	3.3
73.02934	2.1
73.03293	0.3
75.00875	15.4
83.01389	3.8
84.02164	0.6
85.02953	17.4
86.00095	0.9
87.00368	0.6
87.00875	4.4
89.02450	10.6
95.01398	5.8
97.02953	3.4
97.80442	0.3
99.00882	16.1
101.02444	12.5
103.86369	0.3
111.00927	0.4
112.01659	1.1
113.02452	13.0
113.03238	0.7
115.00354	1.1
119.03484	2.2
125.02435	5.5
129.01912	0.4
131.03520	0.5
139.00378	1.3
143.03474	0.4
157.01440	1.7
161.04538	1.1
171.41396	0.4
227.10632	0.3
240.19803	0.4
290.34174	0.3
600.97437	0.4
821.45972	0.6
856.06793	0.4
921.48511	100.0
922.48871	25.6
922.62653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
66.86171	1.6
71.01385	100.0
71.61311	2.0
72.99313	2.5
73.02962	4.3
80.96498	2.3
83.01362	2.6
85.02950	5.1
87.00877	6.7
89.02461	20.0
95.01393	1.5
97.02941	5.1
99.00912	2.2
101.02447	18.1
101.46483	1.5
109.06590	3.7
113.02425	11.0
119.03470	5.0
125.02449	6.1
125.09674	2.5
127.11238	2.5
143.03453	2.7
144.52454	1.6
161.04509	3.2
163.11273	4.5
171.10269	42.3
175.72098	1.8
178.25183	1.9
179.05614	5.8
197.11865	2.7
199.09764	12.3
199.13327	2.3
201.11252	13.1
207.10284	14.7
225.11264	12.2
234.72771	1.8
235.08217	6.1
253.09412	2.2
277.21744	69.5
278.22028	6.9
305.08514	2.1
319.22903	2.1
379.12585	4.0
380.12888	2.3
397.13513	34.0
398.13870	3.6
415.14499	11.8
508.46768	2.0
548.92432	1.8
623.25549	3.3
831.82727	2.3
883.46948	5.9
884.47485	4.7
901.47913	3.8
919.49066	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	919.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
68.44568	1.1
69.03460	2.6
71.01385	100.0
71.62134	1.7
72.01752	1.6
72.99326	2.9
73.02946	6.3
73.41622	1.1
75.39778	1.3
81.03465	1.9
83.01404	2.6
85.02953	7.8
87.00896	7.0
89.02451	20.7
95.01416	1.7
95.22269	1.2
96.95978	2.2
97.02920	5.6
99.00883	3.5
101.02445	17.8
109.06609	9.5
113.02450	9.0
119.03511	3.4
125.02467	8.7
125.09713	2.8
127.11242	1.6
135.08134	1.6
143.03494	3.1
151.07602	1.3
155.10767	1.7
161.04556	4.2
163.11264	5.2
171.10272	67.6
172.10645	2.9
179.05602	7.0
181.08842	1.2
181.12335	3.6
199.09761	18.9
199.13179	1.7
201.11317	24.5
207.10249	27.4
208.10501	2.0
213.11346	1.4
215.12993	1.5
221.06715	3.7
221.39555	1.2
225.11287	21.0
226.11659	1.4
235.08205	5.5
243.12418	4.1
253.09216	2.0
277.21707	60.5
278.22037	5.4
305.08786	1.6
323.35266	1.2
379.12479	5.4
397.13535	35.3
398.14020	2.4
415.14471	10.7
579.23322	1.8
597.24133	2.9
605.24213	1.5
623.25702	4.4
845.87921	1.3
857.45819	3.0
883.46936	12.6
884.47833	5.2
901.48492	2.1
919.48676	12.0
920.49402	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	919.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67211	3.0
69.44273	19.8
71.01385	100.0
72.99300	3.9
73.02950	4.9
78.95917	3.7
80.96506	3.1
81.03447	2.8
85.02958	9.4
85.16428	2.6
87.00879	6.6
89.02460	22.6
96.96011	52.7
97.02925	5.1
99.00917	4.6
101.02444	17.9
109.06583	7.7
113.02453	6.5
119.03485	8.5
125.02466	7.5
127.11353	2.9
138.19969	3.1
143.03519	4.4
159.68758	2.4
161.04559	6.3
168.54456	2.5
171.10274	58.2
179.05588	7.5
199.09755	18.5
201.11299	27.9
207.10309	22.1
209.11819	4.8
225.11342	18.7
235.08202	6.7
243.12245	4.2
265.14783	81.8
266.15015	3.1
277.21692	63.2
278.22305	3.8
397.13495	38.5
415.14371	10.7
597.24255	5.2
623.25446	3.7
744.15613	3.8
773.65076	3.4
857.44543	3.1
883.46259	12.8
901.48193	3.5
919.50079	17.0
920.49127	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	919.179
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50327	0.9
71.01370	2.0
71.25497	1.0
71.61720	1.3
72.99305	10.8
73.45668	1.1
76.38572	0.9
78.95898	1.4
87.00380	2.0
87.00878	24.2
93.03481	1.9
96.96966	2.4
103.00378	3.9
104.20381	1.0
109.02979	2.3
111.00894	1.4
112.98816	2.1
119.05035	3.1
121.02974	3.3
130.99873	2.1
133.02962	1.6
134.03822	1.2
135.04533	3.8
137.02422	1.5
146.03670	0.9
148.01642	2.4
149.00914	42.3
150.01241	1.0
159.90625	1.2
161.02438	3.5
163.03992	2.8
165.01709	1.1
171.04575	1.5
175.03963	2.0
179.03590	2.6
186.92464	1.0
189.05563	1.3
193.05104	2.4
199.03960	1.6
203.03622	1.0
203.22256	1.2
211.03976	2.1
213.05595	1.9
215.03564	1.1
217.05106	1.0
223.04015	5.9
224.04579	1.5
225.05504	2.3
238.02751	1.4
239.03471	3.7
240.04224	2.1
241.04977	7.1
242.05719	2.1
243.03151	1.1
251.03430	2.7
254.02124	1.6
255.02953	3.7
256.00061	2.5
266.02155	1.5
267.02939	10.0
269.00995	2.4
269.04550	8.2
270.04904	1.2
271.02573	1.2
276.13058	1.1
279.02975	2.9
280.03586	1.6
283.02399	1.1
283.09695	1.6
284.03287	1.2
285.03906	7.4
291.06570	1.4
295.02560	1.3
297.03967	2.9
301.05225	2.6
313.03467	1.6
324.02887	1.2
327.08798	5.6
343.06131	1.7
345.04016	1.5
347.05444	3.0
371.05499	1.8
374.04547	1.3
387.05066	3.5
388.05945	1.5
416.05322	14.9
417.06015	6.0
434.06396	28.9
435.06967	11.9
451.03436	1.1
459.09259	1.9
459.15036	1.5
524.54431	1.2
616.98474	1.1
626.33209	1.0
725.17120	13.7
726.17859	3.0
743.18292	100.0
744.18713	23.1
769.15961	3.6
787.17316	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.179
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50327	0.9
71.01370	2.0
71.25497	1.0
71.61720	1.3
72.99305	10.8
73.45668	1.1
76.38572	0.9
78.95898	1.4
87.00380	2.0
87.00878	24.2
93.03481	1.9
96.96966	2.4
103.00378	3.9
104.20381	1.0
109.02979	2.3
111.00894	1.4
112.98816	2.1
119.05035	3.1
121.02974	3.3
130.99873	2.1
133.02962	1.6
134.03822	1.2
135.04533	3.8
137.02422	1.5
146.03670	0.9
148.01642	2.4
149.00914	42.3
150.01241	1.0
159.90625	1.2
161.02438	3.5
163.03992	2.8
165.01709	1.1
171.04575	1.5
175.03963	2.0
179.03590	2.6
186.92464	1.0
189.05563	1.3
193.05104	2.4
199.03960	1.6
203.03622	1.0
203.22256	1.2
211.03976	2.1
213.05595	1.9
215.03564	1.1
217.05106	1.0
223.04015	5.9
224.04579	1.5
225.05504	2.3
238.02751	1.4
239.03471	3.7
240.04224	2.1
241.04977	7.1
242.05719	2.1
243.03151	1.1
251.03430	2.7
254.02124	1.6
255.02953	3.7
256.00061	2.5
266.02155	1.5
267.02939	10.0
269.00995	2.4
269.04550	8.2
270.04904	1.2
271.02573	1.2
276.13058	1.1
279.02975	2.9
280.03586	1.6
283.02399	1.1
283.09695	1.6
284.03287	1.2
285.03906	7.4
291.06570	1.4
295.02560	1.3
297.03967	2.9
301.05225	2.6
313.03467	1.6
324.02887	1.2
327.08798	5.6
343.06131	1.7
345.04016	1.5
347.05444	3.0
371.05499	1.8
374.04547	1.3
387.05066	3.5
388.05945	1.5
416.05322	14.9
417.06015	6.0
434.06396	28.9
435.06967	11.9
451.03436	1.1
459.09259	1.9
459.15036	1.5
524.54431	1.2
616.98474	1.1
626.33209	1.0
725.17120	13.7
726.17859	3.0
743.18292	100.0
744.18713	23.1
769.15961	3.6
787.17316	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37863	0.7
71.01385	14.9
71.61533	0.8
72.09856	0.7
72.99305	1.3
73.02946	9.2
83.01402	3.3
85.02946	5.0
87.00861	2.0
89.02454	5.6
89.78268	0.6
93.03446	0.9
95.01379	1.0
96.96029	0.7
99.00878	1.7
99.04546	0.8
101.02441	11.3
107.05000	0.9
109.02974	0.8
112.98810	2.2
113.02468	7.2
113.03204	0.9
113.03564	1.3
117.03475	15.2
119.03504	2.8
119.05029	14.0
121.02923	1.1
123.08167	7.2
130.60533	0.7
131.03539	1.1
133.02939	1.8
133.06572	1.2
134.03709	2.6
135.04529	4.0
135.06599	0.9
137.02420	1.4
137.09705	2.5
139.07678	1.1
143.03427	1.4
145.02954	77.1
146.03302	3.5
149.00923	4.5
149.04536	2.2
149.06165	0.8
152.01129	1.3
161.02493	5.5
161.04539	6.1
161.06079	3.5
163.04007	17.7
163.11292	7.0
167.03488	1.4
171.11684	0.8
173.09785	0.8
177.05472	1.6
179.03445	4.3
179.05617	1.5
189.12834	12.8
193.05020	3.5
203.05579	2.4
205.05089	3.9
207.13901	17.4
208.14273	1.4
214.05162	1.8
221.06570	1.9
225.15009	1.7
235.06018	1.0
257.05508	0.7
265.07098	1.5
273.70682	0.7
327.08728	1.3
369.19269	1.2
387.20285	3.3
388.20367	0.8
399.16531	2.1
429.21262	23.7
430.21689	2.3
443.15561	100.0
443.73328	0.7
444.15829	9.5
580.57208	0.8
718.24829	1.7
755.19934	1.0
899.32007	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	1.4
67.01517	0.7
71.01411	0.8
72.99297	3.9
74.93785	0.5
83.01382	0.7
83.95404	0.6
87.00880	18.9
87.01424	0.9
87.47266	0.7
89.02473	0.6
91.01877	5.4
98.19862	1.8
101.02425	0.8
103.00372	25.3
103.05588	0.7
105.07098	1.1
105.98605	0.6
107.01398	1.3
108.02174	13.7
109.02427	1.3
112.98822	3.3
113.02441	0.7
115.05511	1.5
118.04211	0.6
119.05025	2.1
121.02969	3.2
123.04526	19.9
123.08137	0.6
124.01653	0.9
124.04839	4.0
125.02395	0.7
130.99866	19.0
131.05042	3.3
133.03014	1.1
133.06612	5.6
134.60410	0.7
135.04500	1.4
147.04512	3.0
148.01773	0.7
149.00911	3.3
149.06075	1.2
151.00368	5.5
152.01154	13.7
153.01492	2.4
163.00414	1.6
164.01300	0.7
167.03493	75.8
168.03828	20.4
169.01410	0.7
169.04015	3.6
177.05562	2.1
178.99843	2.9
179.03441	1.4
227.03499	1.6
229.05040	0.9
237.07671	100.0
238.08002	5.9
243.02975	5.2
255.02960	12.4
256.03622	0.9
271.02484	29.5
272.02878	3.3
299.02158	1.2
300.02744	67.2
301.03448	24.4
302.03677	2.3
327.16144	1.2
329.08850	1.5
330.08884	0.8
367.10464	0.7
368.10733	0.8
369.08191	34.1
370.08371	3.2
406.13904	0.6
463.08658	2.0
505.09879	99.2
506.10110	11.9
507.10474	0.8
669.27936	1.2
670.27515	0.9
671.28149	0.9
711.28680	1.4
712.28918	6.4
713.29358	5.6
787.29694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.9
67.01888	0.2
71.01365	1.7
71.61919	0.3
72.99303	0.7
73.02959	0.6
81.30692	0.2
83.01391	0.3
85.02966	0.6
85.15739	0.2
87.00867	0.6
89.02443	0.4
91.01894	6.0
93.03467	0.5
95.01380	0.6
95.05019	0.3
99.00864	0.4
101.02438	0.8
103.00340	0.2
107.05024	0.4
108.02171	15.6
109.02426	0.4
111.00884	1.3
112.98814	0.4
113.02456	0.7
119.05053	0.2
121.02966	0.7
123.00915	0.6
123.04524	32.4
124.01670	0.9
124.04843	1.3
125.02457	0.3
134.03716	0.3
135.04488	1.0
137.02449	0.4
139.00302	0.3
139.04030	0.6
149.00923	0.7
149.02422	0.6
151.03925	0.3
152.01152	18.3
153.01582	0.7
161.02567	0.2
161.04518	0.3
163.11304	0.3
165.05553	0.3
167.03490	100.0
168.03828	4.1
179.03508	0.7
181.05226	0.2
189.12891	0.3
205.98483	0.2
207.13911	0.3
209.04446	0.2
221.00845	0.3
236.03233	0.4
237.07626	0.8
251.05530	0.5
255.03030	0.3
271.02484	0.4
285.09818	0.4
300.02661	0.7
301.03476	0.4
329.08746	2.9
330.09055	0.2
367.10428	1.0
371.09662	1.0
381.31287	0.2
501.23318	0.7
505.10080	1.0
543.24176	0.7
669.27600	2.7
670.28064	0.7
678.37952	0.2
711.28680	15.6
712.29034	3.3
873.33759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.4
71.01357	0.3
83.01377	0.4
87.00871	0.4
95.76386	0.2
98.29410	0.2
101.02469	0.3
107.01384	0.7
108.02197	0.7
109.02943	0.8
112.98786	0.5
113.02418	0.3
119.05033	0.5
121.02972	0.3
125.02447	0.6
135.00859	0.3
135.04521	0.8
137.02452	1.0
147.04501	0.3
148.01617	0.3
149.00896	0.4
149.02438	0.4
151.00381	4.6
152.00868	0.4
153.39870	0.3
157.38222	0.2
159.04424	0.3
161.02518	0.4
163.00333	1.3
163.04031	0.4
166.02693	3.0
167.03262	1.0
169.01361	0.3
174.03226	0.5
178.99867	2.6
179.03534	0.5
179.05400	0.3
181.05061	4.9
182.05397	1.1
183.05563	0.4
190.02753	0.6
190.99911	0.4
191.03497	0.4
198.03300	0.4
199.04016	0.5
201.01974	0.3
203.65848	0.3
207.84090	0.3
210.04980	0.3
211.03964	0.3
216.04268	0.3
226.02722	3.6
227.03427	1.6
239.05615	0.6
242.08607	0.2
243.02965	8.6
244.03351	0.8
254.02165	3.9
255.02936	3.8
256.03549	0.4
271.02454	40.4
272.02954	4.0
299.02124	0.3
300.02740	48.6
301.03412	12.2
302.03970	0.6
330.91019	0.3
343.04584	0.9
388.11319	0.4
402.13379	0.3
404.13608	0.3
417.15479	4.3
418.15884	3.5
419.16174	3.8
420.16983	0.3
463.08792	100.0
464.09091	11.8
549.03265	0.3
623.16290	0.5
827.13385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	0.9
71.13304	0.2
72.99332	0.1
77.03950	0.1
81.03455	0.4
85.02931	0.3
89.02458	0.5
89.03973	1.7
93.03465	0.2
95.05029	0.2
99.00843	0.1
101.02448	0.6
105.03458	2.6
106.03781	0.1
107.01383	0.1
109.02950	0.2
113.02459	0.3
119.03486	0.2
119.05045	0.2
121.02956	0.2
133.02956	7.5
134.03236	0.3
135.04498	0.2
149.00827	0.1
149.01315	0.1
149.02437	1.0
163.03938	0.1
176.01143	0.2
177.01921	100.0
178.02261	4.8
252.63744	0.1
311.60214	0.1
312.33374	0.1
354.42062	0.1
426.61414	0.1
443.19180	5.0
444.19604	0.6
471.11417	14.4
472.11832	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	1.3
71.61447	0.1
71.61816	0.2
72.99318	0.2
73.02961	0.1
80.19832	0.1
81.03454	0.3
83.01393	0.1
85.02945	0.3
87.00896	0.2
89.02455	0.5
89.03969	1.6
93.03460	0.2
95.01393	0.2
95.05032	0.2
101.02457	0.8
105.03461	2.5
109.02919	0.1
111.00762	0.1
113.02463	0.4
119.03538	0.1
119.05023	0.3
121.02921	0.3
133.02954	7.5
134.03281	0.3
135.04520	0.4
145.02917	0.1
146.27310	0.1
149.00999	0.2
149.02444	1.0
149.06154	0.1
151.04036	0.1
163.03983	0.2
176.01224	0.3
177.01926	100.0
178.02261	4.3
179.03441	0.2
219.02979	0.1
233.04619	0.1
258.97006	0.1
286.29779	0.1
443.19229	4.9
444.09344	0.2
444.19815	0.6
471.11423	16.2
472.11771	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	913.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30850	5.0
69.31256	18.9
71.01384	23.6
73.02955	10.2
75.00848	2.5
77.89675	2.3
83.01399	7.5
85.02959	12.9
85.30434	2.8
85.85622	2.2
87.00902	4.8
89.02455	3.1
99.00899	5.8
101.02434	16.1
104.03829	2.4
107.18323	2.4
112.98800	5.3
113.02472	10.7
123.04582	2.9
125.02390	3.4
133.03000	5.7
134.03857	2.8
135.04521	6.3
149.00916	4.5
177.01927	4.5
179.03526	2.7
348.58099	2.6
417.33563	17.1
561.37976	23.4
579.39087	22.7
592.60486	2.8
621.40100	100.0
622.40472	19.2
663.40961	8.5
723.43286	4.7
913.50006	9.2
919.68549	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	913.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	4.9
71.01384	66.9
72.99293	5.1
73.02947	16.5
75.00855	2.2
83.01389	11.0
85.02957	29.7
86.00088	3.6
86.81090	2.3
87.00883	11.6
89.02458	19.6
95.01389	8.9
96.96004	3.0
97.02934	6.2
98.19926	6.2
99.00885	9.9
100.83188	2.3
101.02444	37.9
112.98804	4.9
113.02443	40.3
113.68140	2.2
116.92850	4.1
119.03465	4.5
119.04964	2.5
124.01659	8.1
125.02460	13.6
129.01961	2.8
133.02943	9.8
134.03720	3.3
135.04494	9.0
135.60922	2.1
137.02435	2.9
143.03487	9.1
149.00914	5.5
155.67836	2.9
159.03052	3.3
161.04504	7.0
163.03915	2.4
172.96365	2.5
177.01997	4.1
179.03468	4.6
211.13312	2.6
234.05681	2.3
234.40953	2.5
293.02881	3.5
324.69980	2.6
417.33286	4.1
561.37054	3.1
620.38757	2.9
621.39038	5.0
687.41467	2.5
702.91589	2.4
705.42444	35.4
706.42334	6.5
723.43274	98.8
724.43353	21.7
740.21313	2.6
741.44269	39.0
742.44556	8.9
765.44354	43.3
766.44330	8.2
783.45343	100.0
784.45483	27.5
825.46649	20.7
826.47064	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	913.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50683	1.2
71.01384	1.9
73.02933	0.9
76.26225	0.2
83.01395	0.2
85.02945	0.9
87.00893	0.3
89.02444	1.2
89.03973	0.2
91.05558	0.2
93.03442	0.2
95.01387	0.3
99.00872	2.4
101.02434	0.9
105.03461	0.2
107.05034	2.7
109.02995	0.2
112.98874	0.2
113.02451	0.9
117.03480	0.4
119.05038	0.4
121.02976	0.3
122.03699	0.4
123.04530	0.2
125.02440	0.2
131.03497	0.3
132.02193	1.0
133.02965	3.8
134.03758	2.0
135.04526	100.0
136.04854	3.8
137.02469	0.3
137.06087	3.7
138.06470	0.2
141.94604	0.1
143.03500	0.1
145.02898	0.2
149.00917	0.2
149.04588	0.6
150.03191	0.2
151.04016	0.5
152.01125	0.2
153.05579	1.1
153.77586	0.1
155.03467	0.2
160.01665	1.1
161.02446	17.3
161.04604	0.5
162.02815	0.9
163.04024	0.6
163.12883	0.1
165.01888	0.2
175.03946	0.2
179.03491	13.7
180.03857	0.5
181.05086	0.9
191.05614	0.5
203.05579	0.4
253.07220	0.3
263.05750	0.2
297.09818	1.9
298.10468	0.2
299.11328	1.7
300.11652	0.2
323.07684	3.5
324.07916	0.3
341.08798	0.8
343.10471	0.4
381.91559	0.1
412.98187	0.2
425.10687	0.2
433.30087	0.2
545.25891	1.2
546.26709	0.3
549.13416	0.2
599.54901	0.2
626.80927	0.2
647.26440	0.2
665.28241	0.9
673.40704	0.2
707.29187	17.2
708.29517	3.7
869.34570	3.7
870.34650	1.0
919.68817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	0.6
72.99291	0.4
75.32226	0.3
87.00937	0.4
95.01373	0.5
95.72815	0.3
98.20573	0.7
105.03487	0.3
106.56589	0.3
109.02975	2.3
111.00916	0.3
112.98832	0.5
119.05035	1.0
121.03043	0.4
123.00870	1.4
124.01665	0.4
125.02413	0.4
135.04527	0.9
137.02444	6.4
149.00964	0.5
149.02376	0.6
150.99142	0.7
151.00366	13.3
151.03984	1.2
152.01117	1.2
152.04791	1.2
153.01752	0.3
161.02477	0.4
163.04021	1.0
164.04739	0.4
165.02017	0.5
166.02710	43.9
167.03136	2.3
175.04021	0.6
177.01909	2.3
178.02563	0.4
179.03526	1.3
181.05060	58.6
182.05414	3.0
184.03801	0.8
185.14258	0.3
190.06398	0.9
191.03481	0.9
192.04300	0.6
193.05025	0.8
205.04948	0.3
205.08685	0.9
207.06596	0.9
287.14911	0.3
300.02792	0.5
316.09586	0.4
343.88983	0.3
359.11478	0.6
363.60513	0.3
387.10831	8.8
387.15445	0.6
388.11340	1.1
402.13113	7.6
403.13577	0.8
417.15521	100.0
418.15869	13.3
463.09116	0.8
469.68744	0.4
553.18286	0.4
561.20001	0.9
603.20721	1.0
621.21191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	0.9
71.01385	39.7
71.62052	1.1
71.79599	0.8
72.01747	1.5
72.99311	3.5
73.02951	2.8
81.03455	1.6
83.01395	5.6
83.05049	1.2
85.02958	8.4
85.47353	0.8
87.00884	12.3
89.02449	44.0
95.01382	2.5
96.41517	0.8
97.02966	1.1
97.06608	1.4
99.00897	1.2
101.02449	24.1
113.02459	24.0
114.02715	0.9
119.03514	20.0
120.03828	1.2
123.08177	1.6
125.09719	3.3
131.03523	3.4
139.11319	1.8
143.03513	7.5
149.01024	0.9
149.04507	1.1
161.04570	9.6
163.11287	1.6
165.12865	3.7
167.10735	1.7
171.10239	1.6
174.55194	0.9
179.05612	20.6
181.12334	1.0
191.10739	1.6
207.39063	0.9
209.11832	17.1
219.14569	0.8
224.27963	0.8
247.20667	3.7
265.21790	1.5
277.21725	100.0
278.22058	13.2
291.19662	18.5
291.23264	4.3
292.19965	1.6
309.20728	23.3
309.24133	1.7
310.20941	2.0
315.71472	0.9
319.22787	4.3
323.09833	35.8
323.13693	1.8
324.10150	1.5
341.10889	70.6
342.11121	5.1
601.32355	26.0
602.32751	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	911.501
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.7
68.99815	1.5
69.03452	1.4
69.62183	2.2
69.62598	1.0
71.01382	33.2
72.01694	0.4
72.99303	3.0
73.02946	11.2
75.00448	0.8
75.00875	14.6
81.64538	0.5
83.01388	5.1
85.02952	26.9
86.00103	1.8
87.00379	0.8
87.00877	9.9
87.04514	3.4
89.02444	3.8
95.01404	3.3
97.02940	0.5
99.00883	14.6
101.02435	3.4
103.04021	1.2
111.00893	0.7
112.01655	0.6
112.98868	0.6
113.01691	0.7
113.02448	11.0
115.00355	0.5
115.04021	3.9
125.02476	0.6
131.03500	7.7
133.02925	0.8
143.03500	5.2
145.05057	1.1
149.00951	0.6
157.01436	0.8
163.06122	0.9
177.01846	0.6
192.36079	0.5
205.07237	2.6
437.34238	0.7
455.35129	1.3
456.35291	0.5
525.39490	0.9
587.59235	0.5
615.38556	0.5
615.82397	0.5
630.30432	0.5
686.07922	0.5
780.36322	0.6
893.49280	1.4
911.50116	100.0
912.50464	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	911.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.8
68.99821	2.5
69.03436	1.7
70.16288	1.0
70.16696	0.6
71.01384	35.0
72.01706	0.6
72.99314	2.5
73.02950	10.3
74.03313	0.4
75.00876	14.7
81.67252	0.4
83.01397	3.6
85.02954	24.8
86.00109	2.3
87.00884	10.5
87.04528	3.4
89.02439	4.2
95.01389	3.1
96.95979	0.4
97.02916	0.6
99.00887	15.6
99.04529	0.8
100.01195	0.5
101.02456	4.6
103.04014	1.4
104.45360	0.4
111.00846	0.6
112.98808	1.6
113.02452	11.5
114.02747	0.4
115.00335	0.6
115.04025	3.5
119.03517	0.5
123.04449	0.4
125.02444	0.7
127.44913	0.4
131.03503	8.9
133.02940	2.7
134.03758	0.5
135.04520	0.9
137.02376	0.5
139.00327	0.5
143.03510	5.7
145.05042	1.2
149.00919	0.8
157.01381	1.5
163.06070	1.4
165.21310	0.4
167.03516	1.0
174.50441	0.5
177.01944	2.0
178.02686	0.7
179.03412	1.1
201.71703	0.5
205.07181	2.4
219.03046	0.5
364.77036	0.4
423.32376	0.4
433.35886	0.5
446.92035	0.4
455.35428	3.6
457.37100	0.8
506.96924	0.5
525.39240	1.3
571.40179	0.6
615.39075	0.7
684.03082	0.6
735.35492	0.5
779.34479	0.7
893.49683	2.0
911.50098	100.0
912.50464	27.4
912.69147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01863	0.4
68.99809	2.0
69.03422	1.0
69.30737	4.6
71.01385	24.2
72.99306	2.9
73.02948	4.1
75.00874	14.4
83.01403	2.5
85.02956	17.6
86.00069	0.5
87.00866	2.5
88.98794	0.5
89.02448	8.2
93.03453	0.7
95.01368	3.4
96.95988	0.9
97.02914	0.5
99.00887	15.6
99.04497	0.8
101.02444	2.7
101.06086	0.7
103.00357	0.5
109.02950	0.8
111.00873	0.5
112.01673	0.6
112.98829	2.7
113.02455	10.0
115.00349	0.6
116.92850	0.7
119.03497	0.5
119.05009	0.8
123.08186	0.5
129.01970	0.5
131.03514	0.9
133.02919	0.7
134.03711	0.9
135.04514	3.7
137.02432	0.8
149.00945	2.2
149.04500	0.6
150.03217	0.9
151.04082	0.5
152.01105	0.5
157.01419	1.4
161.02452	1.0
163.03995	0.8
165.05598	0.7
175.04036	0.7
177.01819	0.6
179.03471	2.0
183.13907	0.5
219.02879	0.8
273.36548	0.4
273.40329	0.5
287.26468	0.5
293.03061	0.6
307.66068	0.4
373.25955	0.8
423.32526	0.5
442.45056	0.5
455.35309	0.6
457.37030	1.5
501.35776	1.3
571.40100	1.6
615.38843	0.8
851.36560	0.5
911.50140	100.0
912.50427	26.3
912.68793	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	1.8
69.03464	0.9
70.48381	1.2
71.01382	27.6
72.99312	1.8
73.02947	9.6
75.00874	17.3
83.01397	3.2
84.02169	0.9
85.02950	35.4
86.00089	2.2
86.03278	0.6
87.00872	10.9
87.04505	3.8
89.02440	5.3
95.01384	5.5
96.36234	0.5
99.00880	14.0
101.02439	3.6
103.04018	1.5
110.62038	0.5
111.00902	0.7
112.01663	0.9
113.02451	21.8
113.03241	1.1
115.03993	4.0
118.20273	0.5
125.02380	0.5
131.03506	9.3
133.02917	1.0
138.21118	0.5
139.00380	1.2
143.03503	5.5
145.05081	0.7
155.59666	0.6
157.01428	1.6
163.06058	1.2
179.03482	0.6
205.07146	3.0
225.06126	0.5
230.70152	0.6
252.91241	0.6
283.13333	0.6
425.33081	0.5
437.34171	0.7
457.36728	1.7
613.12714	0.5
727.34222	0.5
863.56171	0.7
893.49023	1.1
895.53528	0.6
911.50104	100.0
912.50336	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.501
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.7
68.99817	2.3
69.03427	0.6
70.54329	0.3
70.74274	1.0
71.01382	26.0
72.99293	2.9
73.02949	2.9
75.00874	13.8
83.01392	4.3
85.02952	31.9
86.03293	0.9
87.00890	2.5
89.02447	8.5
95.01385	6.6
97.02964	0.7
99.00879	13.8
101.02441	7.9
109.02974	0.5
111.00852	0.4
112.01670	0.6
113.02448	19.0
115.00341	1.2
116.92876	0.3
119.03510	3.1
131.03523	2.1
137.02400	0.5
139.00365	1.5
143.03462	0.8
145.69289	0.4
157.01396	0.9
165.80319	0.4
179.05566	0.5
191.84517	0.3
423.32489	0.5
439.35788	4.4
440.36020	0.8
441.37454	0.5
509.40042	6.1
510.40344	0.7
537.39386	0.5
543.16412	0.4
545.09955	0.4
553.39142	1.5
581.38385	1.5
599.39648	0.5
617.40167	0.9
893.49109	1.1
911.50085	100.0
912.50439	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09527	0.4
69.36506	3.3
74.02474	0.8
78.95911	1.2
82.03009	0.4
97.96429	0.3
99.05641	0.5
113.03539	0.4
116.61787	0.4
128.03552	3.9
143.04631	2.7
146.04578	1.0
146.31706	0.4
152.99556	0.5
160.00691	0.6
226.08437	0.7
254.07860	1.4
272.08890	4.4
291.19693	0.4
306.07513	0.5
443.18665	0.6
444.19653	0.7
457.20285	1.0
458.20999	3.0
459.21664	1.6
475.15808	0.9
476.16733	6.6
477.17416	2.9
490.18307	1.0
491.19205	2.4
492.19504	0.8
499.02750	0.5
503.21210	0.7
517.22546	4.1
521.16260	0.9
522.17078	0.6
535.18036	8.5
536.18463	2.3
546.20837	0.7
549.19568	1.8
550.20325	1.4
551.21039	0.4
605.21991	10.9
606.22473	2.5
637.24890	100.0
638.25232	19.0
812.09424	0.5
878.31335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97211	0.3
69.03431	0.4
71.01384	2.5
71.62150	0.4
72.99290	0.4
73.02933	1.1
75.00862	0.4
83.01369	0.4
85.02962	0.6
86.61858	0.4
87.00880	1.0
89.02472	2.0
89.43772	0.4
93.03455	0.5
96.96053	0.5
97.02971	0.5
98.18346	0.4
99.00861	2.0
101.02464	1.1
103.00358	0.4
107.05017	0.6
108.02189	5.6
109.02976	3.9
112.98788	1.4
113.02457	0.5
117.03470	0.4
119.05029	1.3
121.02958	10.6
122.03796	0.9
123.04579	0.5
124.01658	1.0
125.02439	1.0
130.77364	0.3
132.02164	0.4
133.02977	1.9
133.10249	1.6
134.03757	3.2
135.04530	22.8
135.08141	1.0
136.04852	1.0
137.02452	0.5
137.06099	0.6
139.04037	1.0
143.03488	0.6
145.02965	0.6
147.04535	0.6
148.01666	1.3
149.00929	1.2
149.02364	1.0
149.06061	0.5
149.60358	0.4
150.03226	1.3
151.04016	0.7
152.01169	0.5
159.04636	0.4
160.01668	0.6
161.02440	4.7
161.04546	0.7
161.06033	0.4
163.04015	1.4
165.05574	0.5
166.61563	0.4
174.03200	0.5
175.03943	0.7
175.07651	0.9
176.01154	13.1
177.01939	2.0
177.09209	100.0
178.09575	5.8
179.03479	4.3
189.05690	0.6
189.09204	0.6
191.03500	12.0
191.05336	0.6
192.03903	0.7
193.05142	0.7
219.02953	0.4
219.10378	0.5
221.04463	0.4
229.08667	2.0
251.05669	0.9
275.09427	0.5
293.03079	0.8
293.08923	0.7
323.07629	0.7
341.08798	0.5
353.08990	1.1
369.13425	18.8
370.13821	2.0
373.25931	0.5
383.10071	0.6
395.59317	0.4
411.14722	0.9
413.11194	0.7
471.18784	1.6
482.58356	0.4
565.34357	0.4
573.19745	32.8
574.19940	5.7
615.21271	0.8
640.73108	0.4
663.22864	5.3
664.23431	1.1
702.84735	0.4
705.27557	1.5
867.29120	3.5
868.29822	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99802	2.0
69.30201	3.6
69.30605	13.2
71.01381	27.8
72.99287	3.0
73.02949	7.1
75.00864	14.9
83.01393	2.2
85.02960	31.3
85.80506	1.4
86.00091	2.8
87.00874	12.2
87.04501	2.4
89.02430	5.4
95.01396	4.4
99.00878	15.9
101.02433	4.6
108.56446	1.6
112.98797	3.9
113.02449	23.2
113.11591	1.4
115.04032	2.9
116.92843	2.8
130.16757	1.7
131.03508	8.4
143.03490	4.5
187.38814	1.7
193.16974	1.5
198.94792	1.5
205.07080	2.0
391.30246	3.0
407.33197	5.1
455.35333	2.3
498.28137	1.6
591.07385	1.8
673.99249	1.7
909.48547	100.0
910.48883	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	907.5272
Annotation	Bacteriochlorophyll B
Peak:m/z	Relative Intensity
69.49713	5.1
69.50137	3.8
69.50537	1.1
71.01389	17.1
71.05013	2.4
73.02942	2.3
81.03460	1.6
83.01393	2.4
83.05016	1.4
85.02959	3.4
87.00861	3.2
89.02441	10.9
97.02928	5.2
97.06576	2.9
99.00858	11.9
101.02463	9.5
109.06558	1.6
111.10314	1.5
113.02444	3.6
115.87538	1.4
119.03481	1.7
123.08111	1.5
124.00697	1.3
125.02438	2.3
125.09726	6.2
143.82797	1.2
153.44688	1.2
163.11243	5.7
171.10211	2.7
181.12325	11.3
197.11835	2.2
199.13347	7.1
207.10255	26.5
221.06804	1.5
225.11301	36.2
226.11653	1.5
227.20172	2.0
243.12302	6.2
277.21695	2.0
283.26416	50.7
284.26752	5.5
397.13531	7.1
605.24500	1.5
623.25519	1.7
858.28540	1.3
889.51862	12.3
890.50977	2.4
907.52686	100.0
908.53058	26.4
913.58917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	3.3
70.89101	3.2
71.01376	15.6
73.02938	3.5
85.02954	2.8
87.00902	2.5
89.02457	11.0
97.02969	1.6
101.02448	10.1
103.20625	1.2
107.33605	1.3
113.02441	5.0
117.48476	1.3
125.02448	2.2
125.09636	1.6
137.09633	1.5
143.03470	1.5
151.11336	2.4
161.09642	2.6
179.10756	4.3
181.12093	1.4
197.11833	30.7
209.11707	2.1
235.97369	1.6
241.10808	2.8
255.23265	2.0
283.26425	43.3
284.26828	3.6
336.00485	1.6
340.77798	1.5
397.13440	3.7
415.14777	1.9
502.91043	1.6
514.05347	1.5
552.92212	1.4
891.95044	2.0
905.51111	100.0
906.51501	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	905.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22077	0.3
67.01878	0.6
68.99821	3.2
69.03463	2.6
71.01388	28.5
71.22404	0.6
72.99306	2.2
73.02942	1.7
75.00879	13.5
76.59981	0.3
83.01395	3.2
85.02956	11.3
86.00076	0.3
87.00890	3.1
89.02451	9.8
95.01400	4.4
97.02966	5.0
99.00888	14.0
101.02451	12.5
111.00865	0.3
112.01682	0.5
113.01688	0.6
113.02452	8.6
115.00328	0.4
119.03528	1.9
125.02451	6.7
131.03467	0.7
139.00381	0.6
143.03487	0.7
157.01405	0.8
161.04521	1.2
254.81763	0.3
454.03812	0.3
465.37128	0.4
481.69489	0.3
550.23126	0.3
565.39600	0.6
635.43188	0.8
725.42316	0.4
905.49060	100.0
906.49390	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	905.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60628	0.6
65.50864	0.6
68.99827	1.5
69.03447	2.8
71.01385	25.4
71.22535	1.6
72.99310	3.0
73.02937	1.7
73.15528	0.8
75.00877	13.7
78.99236	0.6
81.03461	1.3
83.01397	15.7
85.02955	9.2
87.00869	2.5
89.02451	8.7
95.01397	4.7
97.02925	3.0
99.00887	12.4
99.04504	1.2
101.02451	9.9
111.00854	0.7
112.48056	0.6
113.02473	7.0
115.00338	0.6
116.92870	6.0
119.03503	1.7
122.54541	0.5
125.02451	32.3
126.02798	0.9
129.81743	0.5
131.03465	0.7
147.10022	0.7
157.01439	1.2
171.10338	1.1
225.11263	0.7
427.40729	0.6
565.39026	1.0
900.42944	0.7
905.49048	100.0
906.49402	26.4
915.66119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99811	2.8
69.03442	1.2
70.09949	3.2
71.01385	25.7
72.99315	2.7
73.02947	2.2
75.00883	13.8
81.03470	1.3
83.01393	12.6
85.02950	10.3
87.00870	3.1
88.24677	0.8
89.02441	7.9
95.01386	4.6
97.02943	2.6
99.00885	12.9
101.02451	9.9
112.98834	0.7
113.02473	8.8
116.92856	2.4
119.03499	1.8
125.02450	29.8
157.01443	0.9
161.04614	1.3
191.20163	0.8
224.53532	0.8
300.77808	0.8
336.96320	0.9
469.62076	0.9
493.73373	0.9
678.00739	0.9
905.49023	100.0
906.49158	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74731	27.6
71.01402	87.7
72.99329	12.6
73.02916	17.8
75.75787	13.9
76.00351	11.0
85.02932	21.3
87.00861	15.7
88.62209	10.5
89.02463	39.4
101.02458	33.8
113.02445	27.1
116.92875	15.0
125.02419	12.3
157.06226	13.7
163.11369	14.4
171.10295	100.0
172.10597	14.8
179.05646	21.8
183.08084	12.7
201.11249	82.5
202.11682	15.0
207.10164	25.9
208.10684	17.8
209.11862	53.1
225.11340	60.2
226.11699	22.2
235.26053	13.0
243.12254	14.0
269.74026	13.8
270.14285	13.2
277.21707	97.0
278.22025	45.0
324.57980	15.3
397.13428	78.2
398.13760	35.8
415.14502	28.2
555.35828	13.1
665.91351	13.7
884.47766	13.4
903.48523	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.0
71.01385	22.2
71.05019	2.3
71.62122	0.8
71.62521	0.9
72.99294	1.9
73.02932	2.8
75.06773	0.8
76.62116	0.6
77.30298	0.6
79.95715	0.8
80.96516	1.3
81.03439	1.2
83.01397	1.9
85.02957	4.8
87.00865	4.8
89.02456	10.8
89.11767	0.6
93.12621	0.6
95.01388	1.7
97.02956	6.6
97.06573	2.6
99.00883	13.0
101.02446	12.8
101.09102	0.8
109.06562	2.4
110.03706	1.3
111.04478	0.9
113.02442	6.3
116.92844	3.4
119.03500	2.0
123.08121	1.3
125.02462	3.5
125.09722	5.6
127.11302	1.0
131.03522	0.8
135.03711	0.8
136.05331	1.0
142.02701	0.9
143.03532	1.5
161.04544	1.7
161.09734	0.7
163.11284	8.6
164.11728	0.7
171.10281	7.0
179.05582	1.9
181.12320	15.4
182.12617	0.8
197.11792	2.0
199.13408	17.0
201.11302	2.2
207.10254	40.0
208.10510	1.9
221.06624	3.0
225.11319	56.2
226.11613	3.0
235.08133	2.1
243.12352	15.4
244.12613	1.2
263.07706	0.9
277.18805	1.6
277.21729	31.5
277.24771	1.7
278.22000	3.8
289.24231	0.7
300.59045	0.8
317.16110	0.9
344.50241	0.9
372.29773	0.9
379.12289	1.4
397.13510	9.2
415.14926	1.6
605.24500	3.6
623.25739	6.5
624.25488	1.1
641.26855	1.0
720.21179	0.8
883.47137	15.0
884.47052	4.1
901.47986	100.0
902.48285	27.2
902.62970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.479
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.2
71.01386	22.3
71.05013	3.0
72.01735	1.0
73.02942	3.1
78.95905	1.5
79.96947	0.9
80.83627	0.9
80.96498	2.4
81.03461	1.3
83.01367	2.0
83.05013	1.7
85.02946	4.3
87.00874	5.0
89.02444	13.0
95.01367	2.3
97.02956	7.1
97.06577	2.5
99.00888	14.3
101.02453	14.1
109.02969	1.0
109.06570	1.7
110.03728	1.0
113.02452	7.5
116.86669	0.9
119.03478	3.6
119.29246	1.0
123.04493	1.1
123.08167	1.1
125.02457	6.0
125.09731	5.6
127.11263	1.4
142.02713	2.0
143.03464	1.3
161.04518	2.2
163.11304	9.3
164.11502	1.2
171.10274	8.0
179.05588	2.8
181.12349	12.9
182.12631	0.9
188.98920	1.1
197.11902	1.9
199.09732	1.3
199.13383	11.9
199.15091	1.6
201.11316	3.2
207.10252	30.5
208.10597	1.5
215.12721	1.5
221.06584	1.1
223.09773	1.0
225.11311	42.9
225.13547	2.2
226.11623	2.5
229.72005	1.2
233.63361	0.8
235.08310	2.2
235.79649	1.2
243.12328	11.0
277.21719	49.0
278.22018	4.4
280.19510	1.2
353.06784	1.0
379.12335	1.9
397.13574	13.3
398.13889	1.2
415.14594	3.8
593.28601	1.1
605.24390	3.7
623.25183	3.1
883.47003	16.2
884.47290	4.1
901.47864	100.0
902.48322	30.9
902.65979	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	901.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
63.62551	0.9
69.03455	1.9
69.71509	4.7
71.01377	23.1
71.05003	1.2
72.45812	0.9
72.99301	5.2
73.02938	7.0
75.00879	1.9
81.03436	1.3
81.07040	1.0
83.01379	4.4
83.05021	3.3
85.02947	15.0
86.07017	0.8
87.00876	36.9
88.98885	1.0
89.02461	11.8
93.03445	2.6
93.32747	0.9
95.01390	2.9
96.96000	2.3
97.02922	2.8
98.19933	1.5
99.00892	11.8
99.04508	1.6
101.02457	12.5
103.00342	3.3
105.01929	3.4
107.05004	1.3
108.02160	3.9
109.02957	1.9
109.06616	1.8
109.47357	1.0
109.57535	0.9
111.00858	1.4
111.04501	1.6
112.98834	8.0
113.02448	23.5
114.02747	1.1
119.03487	3.1
119.05010	4.5
121.02946	1.8
123.04520	3.0
123.08146	8.1
125.02438	2.1
125.06074	1.9
126.00640	1.1
130.99860	5.2
131.03470	1.3
133.02972	1.6
134.03775	2.1
135.04507	7.5
137.02451	2.1
143.03470	3.8
145.02942	1.5
149.00914	13.9
149.04536	4.9
151.03935	1.2
152.01114	4.1
153.01903	1.0
159.02841	1.5
161.02425	2.5
161.04536	7.7
161.13351	8.2
163.03940	1.9
163.11282	13.3
165.05513	2.2
167.03500	9.3
175.03925	2.7
178.02608	1.6
179.03482	4.8
179.05574	1.6
179.14418	1.8
189.12848	5.2
191.05579	2.0
193.05045	1.4
203.05632	1.1
205.12315	7.8
207.10257	12.3
207.13863	8.8
208.10437	1.3
211.07532	1.1
219.03001	1.7
223.13379	100.0
224.13715	8.0
225.17326	1.1
233.06477	1.5
249.11301	3.1
267.12360	34.6
268.12689	2.0
293.03082	1.8
299.01984	1.2
373.25986	1.2
429.21210	1.7
485.09027	1.1
501.23367	30.1
502.23685	4.1
519.24438	68.6
520.24640	9.1
561.25525	12.2
562.25342	1.8
725.37921	1.9
751.35315	2.9
752.35498	1.2
769.36499	97.1
770.36945	22.3
901.37073	23.7
902.37848	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	901.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76521	0.7
69.03450	1.1
69.97762	3.5
71.01384	15.9
71.05006	1.0
72.99301	3.7
73.02956	4.4
83.01408	1.8
83.05031	4.9
85.02944	10.1
87.00877	19.0
89.02456	11.6
93.07104	0.7
95.01383	2.5
96.65983	0.8
97.02944	2.1
97.99857	0.7
98.20528	1.3
99.00887	7.7
99.04551	1.2
101.02450	7.1
101.84051	0.7
103.00340	1.5
107.05011	1.2
108.02184	1.5
109.02960	1.7
112.01688	1.1
112.98810	3.2
113.02454	14.2
113.06100	0.7
115.28703	0.7
119.03490	1.6
119.04998	2.2
123.08163	6.0
125.02445	1.1
130.99905	3.9
131.03444	1.5
135.04572	4.0
137.02451	0.9
137.09660	1.2
138.05574	1.0
143.03564	1.6
145.10248	0.8
149.00919	12.1
149.04510	2.6
152.01123	2.3
153.01872	0.7
159.02969	0.8
160.01669	0.9
161.04588	4.0
161.09714	2.2
161.13358	3.3
163.04008	1.9
163.11267	9.3
176.30261	0.7
179.03499	2.6
179.05598	0.8
187.11334	1.2
189.12791	4.6
191.05568	1.6
205.12297	6.1
206.12509	0.7
207.10277	9.7
207.13855	4.8
223.13379	48.8
224.13728	2.8
238.59821	0.7
249.11302	1.7
267.12369	17.0
268.12744	1.2
501.23505	12.6
502.23694	2.6
519.24506	32.8
520.24738	4.8
561.25702	5.0
661.98401	1.1
751.35339	5.0
769.36481	100.0
770.36920	24.3
770.48785	0.6
901.36975	11.4
902.37244	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	901.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27767	0.2
65.00321	1.0
65.58326	0.2
69.10554	0.2
69.47453	1.2
69.47874	0.8
71.01379	1.5
72.99297	0.4
73.02940	0.7
75.40070	0.2
83.01385	0.5
85.02956	0.8
87.00876	0.6
89.02439	0.6
91.01894	5.6
92.02231	0.2
95.01380	0.7
96.96020	0.4
99.00875	0.8
99.44382	0.2
101.02432	1.0
108.02174	14.8
108.90004	0.2
109.03008	0.4
111.00886	1.1
112.98807	1.0
113.02442	0.8
119.05006	0.6
123.00897	0.6
123.04521	24.8
124.01667	1.1
124.04868	0.8
131.03456	0.3
134.03679	0.5
135.04565	1.1
137.02414	0.3
139.00301	0.4
149.00908	1.4
149.02348	0.3
149.04605	0.4
151.00368	0.2
152.01146	16.1
153.01669	0.4
156.16264	0.3
161.02457	0.3
161.04552	0.3
163.04031	0.4
167.03488	100.0
168.03828	4.1
177.01871	0.3
178.02670	0.3
179.03464	0.9
219.03163	0.2
243.93205	0.2
293.03244	0.4
329.08725	1.9
414.59854	0.2
417.10510	0.3
428.85205	0.3
495.05859	0.3
521.33246	0.7
653.28162	0.8
676.37598	0.3
695.29199	13.5
696.29443	3.2
699.42828	0.2
825.69092	0.3
918.42450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.2
71.01382	100.0
72.01733	1.4
72.99303	2.3
73.02947	4.2
75.00883	7.8
80.96518	1.3
81.03465	1.1
83.01394	2.5
83.05029	1.3
85.02932	4.8
87.00878	5.4
89.02444	16.8
95.01407	1.6
97.02940	5.4
98.19841	2.5
99.00861	2.0
101.02442	16.1
102.36942	1.0
109.02956	1.1
109.06592	5.0
111.04494	1.1
113.02464	9.6
119.03503	5.2
125.02431	7.2
125.09727	2.5
127.11279	3.5
131.03523	1.2
133.05070	1.0
134.87131	1.0
139.22412	1.0
142.02646	0.9
143.03461	3.4
161.04620	5.0
161.99594	1.0
163.11253	3.0
171.10265	53.0
172.10655	1.9
179.05597	3.9
181.12360	1.3
199.06207	1.0
199.09796	8.5
201.11325	8.8
207.10275	13.2
208.10538	1.6
221.06683	1.2
221.11812	5.5
225.11314	8.8
229.32617	1.4
235.08302	7.4
239.12973	1.7
243.12366	1.7
253.09265	1.7
255.23293	64.3
256.23648	6.1
277.21738	2.2
287.07773	2.1
292.84949	0.9
305.08646	2.5
323.09808	1.4
344.44461	0.9
371.09436	1.0
379.12491	6.5
397.13550	37.0
398.13766	3.4
415.14539	8.1
455.35153	4.4
605.25037	1.3
653.38269	1.7
835.46661	1.4
861.48370	9.0
862.49097	2.8
897.50610	8.8
898.50549	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	898.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
80.28011	66.7
101.07256	100.0
101.22469	70.5
188.41156	79.6
195.45296	74.5
248.75432	72.9
375.63782	68.4
402.65952	79.9
681.81006	88.6
767.15009	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50225	4.8
69.59986	0.7
77.02414	0.6
88.01132	0.8
98.19886	1.3
103.09668	0.7
107.01396	1.9
108.02207	0.8
121.02966	1.2
135.00931	0.7
151.00369	6.8
163.00433	2.3
178.99866	3.2
179.03517	0.8
227.03404	0.9
243.02975	4.5
254.02162	1.1
255.02928	13.6
271.02463	29.4
271.05405	1.5
272.02893	3.0
299.01917	0.7
300.02744	62.7
301.03436	26.4
302.03848	1.8
352.23401	0.7
508.06653	0.8
609.14569	100.0
610.14990	16.0
891.05591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67110	0.6
68.99821	0.6
69.03458	3.8
69.45712	3.6
69.46136	1.5
71.01382	15.7
71.05021	1.7
72.05372	0.7
72.99263	1.2
73.02940	2.4
83.01376	2.1
83.05044	0.9
85.02934	2.7
87.00873	4.1
89.02449	9.7
94.94452	0.6
95.01385	1.7
97.02937	2.4
99.00856	1.3
101.02437	9.0
111.04492	1.3
112.79234	0.7
113.02432	5.1
116.92872	0.9
119.03498	1.5
123.08123	0.8
125.02425	2.0
125.09722	1.6
139.95459	0.6
143.03485	0.9
146.44803	0.7
151.11282	1.9
153.12793	1.5
161.04512	1.7
161.09723	2.1
171.10220	1.1
179.05682	0.7
179.10739	4.4
194.61107	0.6
196.22351	0.6
197.11826	52.2
198.12141	2.5
211.13420	1.2
221.06659	2.1
223.09708	2.3
235.08224	1.7
241.10770	4.7
241.14523	0.8
253.09396	1.0
277.21722	24.2
278.21997	2.4
279.22977	1.4
295.22806	1.3
309.20657	0.7
310.21033	1.0
323.09570	1.0
341.10892	1.7
397.13614	4.4
415.14587	1.6
629.52783	0.6
899.46442	100.0
900.46637	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	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01864	0.6
69.03449	4.9
69.81926	2.8
69.88381	0.6
71.01382	14.1
71.05005	1.6
72.99294	1.6
73.02935	1.9
75.00888	1.0
78.95922	0.5
80.96508	1.1
81.03438	0.8
83.01385	1.6
85.02961	4.1
87.00886	3.3
89.02441	9.8
95.01395	1.1
95.05009	1.0
97.02937	2.6
97.06574	1.5
99.00899	1.2
101.02454	7.0
107.04958	0.7
113.02452	4.7
119.03490	2.3
123.08139	1.3
123.99280	0.7
125.02478	3.5
125.09718	2.1
126.53252	0.7
143.03461	0.7
151.07726	0.6
151.11275	2.0
153.12828	1.2
161.04573	1.1
161.09668	4.3
169.12357	1.2
175.02348	0.7
179.05545	1.0
179.10747	6.2
197.11832	39.0
198.12141	3.3
211.13362	2.5
213.14919	0.7
221.06583	1.7
223.09705	1.4
235.08240	1.2
241.10786	2.6
241.14334	1.2
253.09328	1.0
277.21725	39.0
278.22070	3.8
310.20923	0.7
381.83450	0.6
397.13342	3.1
415.14468	1.2
804.18750	0.9
899.46429	100.0
900.46710	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	1.0
69.87042	1.1
71.01380	2.2
72.99317	0.8
73.02935	0.9
75.35699	0.3
79.04154	0.3
83.01380	0.6
84.58125	0.2
85.02951	1.0
87.00876	1.2
89.02440	1.0
91.01897	6.0
93.03484	0.4
95.01367	0.3
96.96038	1.3
98.19948	0.3
99.00887	1.3
101.02443	0.8
103.00356	0.3
108.02177	16.0
109.02969	0.7
111.00874	1.0
112.98840	1.2
113.02443	1.0
119.05022	1.2
121.02861	0.2
123.00862	0.8
123.04527	25.6
124.01675	0.8
124.04850	0.8
125.02425	0.7
130.99852	0.3
133.02972	0.4
134.03751	0.8
135.04535	2.4
137.02419	0.4
149.00903	1.3
149.04456	0.3
150.03267	0.5
151.03920	0.5
152.01155	16.1
153.01700	0.7
161.02489	0.7
161.04581	0.5
163.04002	0.8
165.01828	0.3
166.02696	0.4
167.03497	100.0
168.03828	4.7
169.01363	0.4
170.02423	0.3
175.02574	0.3
176.85748	0.3
177.01941	0.5
179.03506	1.4
191.87149	0.3
193.05090	0.4
209.04619	0.8
211.07825	0.3
221.04581	0.4
223.06316	0.3
223.13385	0.7
237.07651	0.4
239.05577	0.7
261.32916	0.2
293.03256	0.4
299.07709	0.6
327.08746	0.3
329.08783	1.3
341.08734	0.7
371.09818	1.7
405.16217	0.3
471.33621	0.3
475.14551	0.5
485.24139	0.3
626.21930	0.3
653.28131	6.7
654.28302	1.1
695.29218	10.1
696.29443	2.4
725.26526	0.4
797.42572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	0.3
67.43966	0.3
68.99813	2.3
69.03459	1.4
70.13239	1.1
71.01385	35.0
72.01728	0.5
72.99301	3.1
73.02946	11.1
75.00876	16.3
83.01385	5.0
84.02175	0.3
85.02953	27.9
86.00089	2.3
86.03271	0.6
87.00880	9.6
87.04524	3.6
89.02445	4.8
95.01395	4.0
97.02941	0.7
99.00888	14.8
99.04495	0.5
100.01248	0.5
101.02453	3.5
101.96018	0.3
103.04001	1.3
111.00875	0.6
112.01669	0.7
113.02453	12.5
115.00373	0.7
115.04012	4.7
116.04300	0.3
119.03524	0.5
125.02464	0.6
131.03503	7.6
139.00343	0.5
143.03490	6.0
144.89676	0.3
145.05045	1.2
157.01416	1.2
163.06168	1.7
196.27184	0.3
205.07155	2.8
242.35750	0.3
289.07993	0.3
423.32803	0.4
439.35800	4.1
440.36374	0.7
509.39993	1.8
511.38416	0.4
599.39539	0.5
877.49353	1.2
895.50586	100.0
896.50873	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	2.4
71.01384	48.0
71.16735	2.6
72.99305	3.3
73.02963	8.7
75.00849	1.5
78.95911	1.4
83.01392	11.3
85.02957	12.2
87.00878	58.6
89.02447	32.9
95.01385	5.3
97.02967	2.0
99.00869	2.2
101.02443	23.1
113.01686	2.1
113.02451	35.5
115.04005	1.8
119.03513	10.6
121.10275	1.6
125.02436	2.3
129.01906	2.0
131.03516	2.4
141.01918	3.4
143.03535	8.6
154.06259	2.2
159.02988	1.3
161.04562	14.5
171.10231	5.3
172.05052	1.2
179.05588	13.5
255.21040	1.5
273.22208	3.5
275.20203	7.8
277.21716	100.0
278.22134	9.6
291.19983	2.2
291.23273	21.9
292.23734	3.0
293.21259	12.1
301.21594	2.8
319.22754	14.8
320.22998	1.9
323.09830	48.0
324.10089	2.8
331.22617	1.4
341.10880	93.4
342.11209	5.3
349.23834	2.3
502.34381	1.3
559.24963	1.3
569.39838	1.3
579.27704	1.4
601.32306	33.1
602.32397	5.4
896.51923	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87903	8.5
71.01383	90.9
71.61533	7.3
71.61892	10.8
72.99309	16.9
73.02940	29.3
83.01369	13.7
85.02943	52.3
87.00870	27.2
89.02425	7.8
96.96022	9.6
99.00861	19.7
101.02436	66.7
101.04750	6.4
109.98976	7.3
112.98839	37.2
113.02451	36.0
114.56947	7.0
119.05027	12.8
125.02471	13.6
133.02922	13.5
134.03754	9.8
135.04521	49.8
137.02444	10.5
149.00922	53.6
150.03221	9.5
161.02385	15.8
161.04482	11.5
163.04008	15.2
179.03477	43.3
293.03119	36.5
355.15378	10.2
559.21045	12.2
561.26233	8.2
631.38495	15.2
649.38812	22.9
689.42914	66.9
690.42804	11.7
691.40240	17.7
707.43732	100.0
708.44373	31.9
725.44379	30.1
749.44824	95.9
750.44202	18.3
767.46136	88.3
768.46045	32.5
809.47064	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	897.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85057	4.2
71.01387	18.6
73.02947	3.7
75.00856	4.0
75.95518	1.6
79.95703	2.0
80.96518	12.1
81.03462	1.7
85.02961	4.0
87.00849	2.4
87.83510	1.6
89.02458	13.9
94.98112	2.1
97.02986	2.3
97.06579	1.6
99.00863	5.9
101.02456	11.7
113.02460	4.5
116.92853	4.0
119.03448	3.7
125.02430	3.3
125.09709	5.8
127.11317	3.2
143.03474	1.7
146.89392	1.6
148.96365	1.7
163.11234	4.3
164.98592	2.0
181.12349	5.7
199.13426	5.1
201.11307	42.0
202.11710	2.4
206.99736	1.8
207.10185	8.4
225.00731	3.9
225.11243	11.9
235.08247	2.2
243.12346	2.5
255.23306	54.1
256.23657	3.6
294.89005	1.8
327.84421	1.9
369.27747	1.7
384.74744	1.8
397.13553	5.0
493.35229	2.2
658.25836	1.6
861.48352	6.1
862.48615	2.9
879.49255	2.9
897.50793	100.0
898.51129	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	892.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98537	22.6
69.41143	86.7
69.41553	32.5
70.26493	14.2
71.01386	39.6
74.73603	12.0
80.96522	20.3
87.07301	13.5
88.33382	14.4
89.02399	30.3
91.09684	18.0
91.70591	13.9
99.51900	13.6
101.02426	23.5
111.70796	16.9
116.92857	28.3
171.10228	100.0
172.10593	57.3
172.65953	14.3
181.72523	18.8
201.97394	15.5
277.21786	41.7
278.22028	43.9
278.34192	14.7
279.22375	28.1
335.47113	14.0
397.13443	24.0
398.13843	32.8
399.13882	32.3
620.90991	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66524	0.5
67.01894	0.7
68.99815	1.7
69.03452	1.4
69.53442	4.1
71.01390	35.0
72.99307	2.7
73.02954	10.5
75.00876	14.7
76.98083	0.6
83.01388	5.1
85.02956	26.6
86.00105	1.8
87.00883	9.0
87.04507	3.6
88.98782	0.6
89.02456	4.9
92.71513	0.5
93.04576	0.7
95.01391	3.9
97.02922	0.9
98.20602	1.0
99.00894	15.2
101.02428	3.7
101.51382	0.6
103.04026	1.3
111.00906	0.7
113.02461	11.8
115.04028	2.7
116.92886	0.5
119.03551	0.6
131.03516	7.9
143.03510	4.9
145.05037	0.9
154.06232	3.4
163.06137	0.9
205.07196	2.4
214.47160	0.6
216.29457	0.5
222.88800	0.5
421.31183	0.8
437.34161	4.2
507.38330	1.1
553.39661	0.6
637.15912	0.6
875.48065	1.1
893.49115	100.0
894.49463	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	893.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96231	2.9
71.01382	11.4
71.61854	1.6
71.62301	1.8
73.02952	2.5
78.98592	9.3
79.95738	22.6
79.96180	1.9
80.96522	91.7
85.02966	3.1
87.00862	3.6
93.42436	1.5
94.98087	20.2
96.95998	2.1
97.02961	1.9
101.02448	2.3
106.98105	5.1
120.08080	1.8
122.97595	3.6
125.02443	5.3
134.97601	4.8
135.68829	1.5
136.99139	3.5
148.99152	6.6
152.98648	10.0
156.09825	1.5
164.98627	19.7
177.64253	1.7
206.99623	3.2
225.00734	28.4
226.01131	1.9
311.06989	1.8
475.43558	2.0
509.40076	1.6
609.26727	2.0
893.53070	100.0
894.53394	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	892.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98520	19.9
65.08747	10.9
71.01375	28.6
87.62751	12.0
101.02453	27.5
113.02336	12.6
116.92889	17.1
125.02359	12.1
126.13004	9.9
171.10252	100.0
172.10611	36.3
173.10844	23.0
194.14218	13.0
272.47629	14.2
277.21762	55.9
278.21896	24.9
279.22531	18.3
315.23380	12.0
397.13248	19.6
398.13696	20.0
399.14221	22.7
445.23074	17.5
667.43811	12.4
812.62451	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	891.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01857	0.5
68.99820	3.2
69.03447	3.4
70.80400	1.0
71.01385	22.1
72.99324	2.4
73.02934	1.8
74.86420	0.5
75.00874	17.4
78.02278	0.4
78.95962	0.5
81.03445	0.4
83.01381	3.9
84.02169	0.6
85.02952	26.0
86.00111	1.0
87.00864	2.0
89.02451	8.1
89.52834	0.4
95.01392	4.2
97.02950	6.1
98.72246	0.4
99.00238	0.9
99.00880	17.6
101.02459	2.1
111.00922	0.9
112.01665	1.3
113.02450	15.3
115.00396	0.7
116.92844	0.8
123.00999	0.5
125.02451	11.4
129.01900	0.6
131.03445	0.6
139.00356	0.9
143.03450	0.5
157.01379	1.4
158.32326	0.5
197.11798	0.4
325.14838	0.4
332.63953	0.5
583.40485	0.7
804.61853	0.5
891.47430	100.0
892.47815	30.1
899.45349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5328
Annotation	chlorophyll a
Peak:m/z	Relative Intensity
69.03461	0.8
70.13788	2.5
71.01387	18.1
72.99295	1.7
73.02948	3.3
80.96508	1.1
81.03475	1.2
82.07244	0.7
83.01382	1.9
85.02942	5.4
87.00888	3.3
89.02450	13.2
95.01380	1.2
97.02955	2.6
99.00896	1.7
101.02450	12.9
109.26601	0.6
111.08125	1.0
113.02450	6.7
119.03502	3.0
125.02468	3.7
143.03487	1.3
143.87630	0.7
150.21512	0.7
161.04541	1.5
165.12836	5.2
179.05650	1.9
183.13899	42.3
184.14212	2.7
209.11761	1.2
221.06662	1.6
227.12936	3.5
235.08310	1.5
263.43839	0.7
283.26434	59.7
284.26709	6.2
294.32227	0.7
297.13940	0.6
333.64059	0.7
379.12405	1.1
397.13501	9.1
398.13892	0.8
415.14487	2.4
437.28177	0.8
574.73041	0.8
607.25751	1.2
891.53198	100.0
892.53522	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	889.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	13.6
71.01389	18.6
71.10122	3.9
73.02936	3.4
78.95878	2.3
80.96518	3.9
83.01376	1.8
85.02953	4.4
89.02455	13.0
97.02952	2.8
101.02460	11.8
107.98033	2.1
113.02436	7.8
119.03561	2.4
125.02432	3.9
151.16336	1.7
159.63017	2.0
165.12881	3.4
183.13914	34.1
202.04799	2.1
207.10272	3.5
209.11894	2.8
221.06689	4.3
227.12842	3.9
227.20131	9.2
228.20435	4.3
281.24857	52.5
282.25256	5.5
283.26349	2.0
354.46170	2.6
397.13507	10.6
607.25958	2.5
889.51636	100.0
890.51373	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	891.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	1.7
69.58832	7.4
71.01389	5.6
73.02926	1.2
74.30843	1.1
83.20692	1.0
85.02960	1.2
87.00877	1.2
89.02455	5.0
98.20663	2.6
99.00883	1.4
101.02424	2.8
106.06622	8.4
107.03751	2.4
112.98827	2.1
113.02445	2.3
119.03503	1.2
120.08183	7.0
122.05298	2.0
122.06126	25.6
122.07008	1.3
123.06487	1.3
129.03857	1.2
132.04497	1.1
134.06125	59.0
135.04469	1.8
136.07649	3.3
136.95631	1.1
145.02986	1.3
150.03204	1.6
152.01085	1.5
152.07170	6.2
160.03999	2.9
161.04765	1.3
162.05595	1.5
172.04059	1.4
174.05629	2.6
179.03484	1.9
188.88681	1.1
190.05185	1.2
194.08217	3.2
223.08746	4.3
224.09497	2.2
225.10225	2.4
235.08977	1.4
235.12279	1.4
236.09529	2.4
237.10381	6.2
238.11072	2.8
239.11858	4.1
241.13425	1.4
249.06581	1.4
249.10323	4.4
250.11151	1.7
251.08221	2.9
251.11902	9.2
252.12283	1.7
261.10242	2.0
263.08270	5.5
263.11746	2.2
264.09012	6.1
265.09781	4.6
267.11273	1.4
276.08984	1.7
277.09787	9.8
278.10440	3.6
279.11389	17.0
280.11731	1.9
291.08069	2.3
291.11380	7.6
292.08548	2.0
292.12122	2.1
293.12759	1.8
295.10886	2.7
305.09308	5.1
305.12674	2.8
307.10861	6.8
319.10757	4.5
323.10257	3.5
337.11880	2.3
339.13522	6.9
342.12494	2.3
342.16281	1.5
355.13165	2.0
356.10236	1.5
356.14093	1.7
358.15500	1.4
359.16013	1.9
360.17059	4.9
367.13104	1.5
370.15573	2.3
371.16479	1.6
372.17188	1.6
384.17340	8.3
385.18243	2.5
386.14771	3.4
386.19144	5.5
398.14722	3.3
398.19165	1.9
402.18024	1.5
411.15637	1.5
412.16577	4.3
426.18161	9.1
428.15640	1.9
429.16885	2.0
430.17615	7.4
438.14572	2.4
440.16122	1.8
444.19427	7.2
453.17075	1.4
454.17551	3.2
460.18747	4.3
471.17453	1.8
472.18616	1.7
486.20395	11.0
487.20941	1.9
490.19928	6.7
491.20724	1.4
498.16916	1.7
502.19757	1.4
507.24136	1.7
530.19421	7.6
531.19507	1.8
544.20782	3.7
545.21497	4.3
546.22437	18.6
547.22754	3.6
549.24493	1.6
562.21967	26.9
563.22107	5.8
564.23804	1.9
567.26233	5.9
575.22913	2.5
593.24146	9.7
594.24280	3.5
607.25397	11.9
609.27161	10.7
613.27051	2.2
625.26471	4.6
631.43469	1.4
635.24884	5.8
643.27924	1.8
653.26129	38.5
654.26440	8.5
667.27722	98.8
668.28137	22.7
685.28760	100.0
686.29065	23.9
727.29205	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	889.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	3.4
69.37498	9.4
71.01382	4.4
73.02972	1.4
80.05048	2.5
80.76460	1.1
85.02962	1.4
87.00869	2.0
89.02439	2.0
95.01392	1.4
99.00877	1.5
101.02453	2.4
106.06644	3.7
112.98809	4.6
113.02439	2.1
119.05049	1.7
120.08192	1.4
121.05338	1.7
122.06127	12.1
123.08137	1.3
132.04536	2.6
134.03748	1.4
134.06125	26.9
135.04514	3.7
137.02449	2.4
146.06030	1.4
148.03802	1.3
149.00908	3.1
152.01186	1.3
152.07161	2.1
152.54639	1.3
160.06412	3.7
163.03978	2.5
165.05499	1.3
174.05612	1.8
175.57007	1.2
179.03484	2.8
190.05052	2.0
211.08806	1.7
213.10309	18.0
225.10370	1.7
226.11189	2.9
227.11888	2.4
237.10367	1.6
239.11887	12.7
241.13490	8.3
242.13737	1.5
249.10429	1.8
251.08263	2.1
251.11894	4.1
263.08215	1.6
265.09756	2.6
267.11368	16.6
268.11548	1.9
277.09781	3.9
279.11423	2.7
285.12430	45.6
286.12704	4.1
293.09521	2.4
293.12976	6.0
294.13324	1.6
295.10962	1.5
301.20313	1.4
305.09299	4.8
307.10757	3.6
313.13062	1.2
316.14459	6.2
320.34061	1.3
323.10364	1.7
324.11441	1.8
327.13702	2.0
327.21722	2.8
328.10880	2.0
328.14371	1.5
337.11957	3.6
340.14511	15.7
341.15024	1.9
343.13235	1.6
355.13245	2.0
356.13791	2.2
357.14886	1.5
358.15625	12.1
365.11444	1.9
367.13330	2.3
368.14050	1.6
370.15652	1.9
382.11804	1.5
384.13354	5.9
385.13666	1.5
390.55038	1.3
397.14185	6.2
398.14960	2.4
399.15726	1.7
400.16602	7.5
412.16568	4.4
426.14386	1.8
457.16449	3.4
463.21140	3.8
491.20264	2.6
505.22366	3.4
531.19806	1.9
545.21912	1.4
547.23444	5.6
565.24261	6.1
573.21747	3.1
591.22449	5.2
607.25525	36.8
608.25891	7.7
609.23615	1.7
610.23865	1.4
623.24841	4.2
633.23450	29.9
634.23859	6.3
651.24591	100.0
652.24854	24.3
665.25903	6.0
666.26080	2.0
683.27167	78.1
684.27411	19.4
725.28369	6.0
726.27740	2.2
916.30109	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35741	0.8
69.99308	3.0
71.01365	1.2
72.99294	5.4
83.01376	0.9
87.00871	32.4
87.79259	1.0
103.00378	66.2
103.05633	1.1
107.01389	1.1
112.98807	3.3
119.05000	1.6
121.02986	0.9
124.01662	1.4
130.90135	1.0
130.99866	59.8
132.00182	1.6
135.04515	2.5
137.71466	0.8
147.04521	100.0
148.04878	4.5
149.00938	2.0
149.99609	1.1
151.00352	5.3
168.00592	1.5
178.99838	3.4
183.04555	0.9
215.03081	0.8
243.02950	3.3
254.02209	1.2
255.02927	8.9
271.02469	22.8
272.02814	1.7
273.77008	0.9
279.05087	82.7
280.05399	6.3
299.02051	1.2
300.02740	51.3
301.03436	20.1
409.77344	0.9
433.09750	1.1
609.14587	89.2
610.15088	15.3
649.58582	1.1
824.36530	1.0
889.29156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	58.9
69.03474	1.0
70.87266	0.6
71.01387	21.0
72.37909	0.7
72.99326	1.5
73.02944	3.0
79.95728	1.5
80.96527	6.2
81.03488	0.7
83.01389	2.3
85.02965	4.9
86.36536	0.6
87.00877	3.7
89.02447	14.7
94.98077	1.1
95.01405	1.5
97.02947	4.1
97.06566	0.6
99.00887	1.4
101.02450	14.7
111.08175	1.4
113.02452	7.4
119.03491	3.1
121.03076	0.7
125.02476	3.3
132.66112	0.7
134.97589	0.7
139.04013	0.9
141.00032	0.7
143.03511	1.8
148.99045	0.9
161.04543	1.9
164.98608	1.2
165.12868	8.2
166.89839	0.6
179.05576	2.2
183.13901	47.8
184.14192	2.6
207.10196	2.1
209.11868	1.7
211.10776	0.7
221.06657	2.4
225.00742	1.0
225.11278	1.2
227.12811	3.3
235.08177	2.3
279.23294	62.0
280.23642	6.7
281.24814	2.4
379.12393	2.0
390.52722	0.7
397.13528	9.5
415.14532	2.5
437.07898	0.7
607.25708	1.0
625.27271	1.6
869.50244	0.8
887.50006	100.0
888.50287	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74223	0.8
71.01379	1.5
71.61776	1.1
72.99305	3.8
81.03442	0.8
81.13063	0.7
84.99316	1.3
87.00877	23.0
89.02431	1.0
92.29554	0.7
92.80064	0.7
93.03469	3.5
97.06587	3.4
101.02411	1.2
103.00375	12.9
108.02171	2.2
109.02952	16.1
112.98807	20.6
117.54171	0.7
119.05054	2.1
121.02916	1.6
123.04514	1.6
124.01666	0.9
125.02425	1.0
130.99870	5.3
133.02959	5.9
134.03741	88.9
135.04556	21.9
136.00671	1.3
136.01663	13.0
137.02458	16.4
138.02756	1.6
139.03003	0.8
139.03966	1.2
149.00919	50.5
149.06096	1.2
150.01312	1.0
151.04030	9.0
159.04503	1.3
161.02440	1.2
162.03181	1.2
163.04025	1.3
165.05692	1.0
167.03473	1.5
174.06850	0.9
177.01939	5.9
178.02716	22.6
179.03494	7.4
193.05040	1.2
195.02928	4.2
196.03574	1.0
203.10837	2.0
213.09079	1.4
231.08223	1.0
231.10260	12.0
232.10620	1.1
255.02922	1.1
271.02393	3.2
275.09283	26.9
276.09604	2.2
293.10318	100.0
294.10690	7.8
300.02789	5.3
301.03387	4.3
425.10843	48.0
426.11081	4.9
463.08929	9.1
464.09210	1.0
493.75589	0.9
589.41333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4841
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98830	88.8
69.03459	1.9
69.44929	2.2
69.45358	2.2
71.01382	22.3
72.99321	1.6
73.02950	3.4
75.00895	0.8
79.95740	0.8
80.96536	1.9
81.03462	0.9
83.01369	3.6
83.05038	0.7
85.02961	5.5
87.00861	4.4
89.02440	16.6
95.01407	1.8
97.02967	2.5
97.06625	0.7
99.00877	1.2
101.02446	15.3
111.08158	1.1
113.02444	8.7
119.03495	3.9
125.02450	4.1
133.02953	1.8
143.03517	1.7
161.04552	2.0
165.12851	7.1
166.13228	0.7
177.02005	1.4
179.05653	2.2
183.13895	56.3
184.14224	2.9
209.11855	2.5
221.06709	2.7
225.11386	1.7
227.12933	3.9
235.08260	1.8
241.42265	0.6
253.09242	0.9
277.21713	52.0
278.22067	4.8
279.23264	0.6
349.46667	0.6
379.12244	1.2
397.13440	12.5
415.14493	3.0
425.57230	0.6
607.25946	1.8
625.27606	1.8
867.47778	1.1
885.48499	100.0
886.48828	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	885.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98516	1.3
61.98831	25.2
69.03455	0.9
70.13071	2.6
71.01385	22.5
72.99301	2.3
73.02953	3.0
75.08817	0.6
80.96515	2.4
81.03480	1.0
83.01405	2.5
83.05043	0.8
85.02960	5.9
86.38591	0.5
87.00883	3.7
89.02450	15.3
95.01382	2.1
97.02957	2.7
97.06570	0.7
99.00894	1.9
101.02448	15.5
111.08171	1.1
112.90478	0.7
113.02432	6.3
119.03512	3.0
125.02438	3.9
139.04066	0.7
143.03506	1.7
143.37251	0.8
161.04567	2.1
165.12834	7.0
179.05603	2.6
183.13895	72.1
184.14267	3.6
207.10333	2.0
209.11798	2.6
217.07135	0.7
221.06610	3.6
225.11253	1.5
227.12898	6.0
228.13290	0.8
235.08244	2.0
277.21722	31.7
278.22089	3.1
279.23181	1.5
379.12509	1.3
397.08939	1.0
397.13559	11.8
398.13632	1.0
415.14407	3.4
470.52200	0.7
491.47031	0.7
607.25909	1.4
625.26984	3.3
885.48480	100.0
886.48737	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	885.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	4.8
69.03464	1.4
71.01381	28.6
71.05033	1.2
71.62089	1.9
72.99307	6.0
73.02958	7.8
83.01416	2.0
83.05062	2.1
85.02950	11.7
87.00875	33.3
88.98788	1.1
89.02444	27.6
95.01385	3.7
97.02962	2.7
99.00877	22.9
99.04539	1.2
101.02452	13.2
103.00373	3.4
105.01946	2.4
107.05064	1.9
108.02205	1.6
109.02957	1.7
109.06629	1.1
112.98809	9.4
113.02448	27.7
116.45271	1.1
119.03497	4.8
119.05034	2.8
125.02442	2.8
125.06120	1.5
130.99841	4.0
131.03519	5.9
133.02934	1.1
134.03740	1.4
135.04527	6.9
137.02414	1.3
143.03532	2.9
145.81485	0.9
147.04482	1.0
149.00938	9.7
149.04552	21.7
151.03918	1.2
152.01230	1.6
153.01877	1.0
161.02475	1.9
161.04538	9.5
161.13361	5.5
163.03987	2.5
163.11319	2.4
179.03471	2.5
191.05615	8.3
205.12338	7.3
207.10252	13.3
209.11821	1.4
215.05534	1.8
223.13377	100.0
224.13779	6.2
233.06641	6.9
249.11304	2.6
267.12357	31.9
268.12848	1.9
271.02573	1.1
275.07739	1.3
293.08829	7.3
297.11847	1.2
316.37698	1.0
403.31085	1.2
446.67108	1.1
485.09302	1.4
485.24097	9.5
503.24976	50.5
504.25183	6.9
545.26160	8.7
735.35980	4.4
753.37018	63.4
754.37366	15.3
781.42169	2.9
885.37634	18.0
886.38000	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	885.3762
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	4.0
69.03461	0.8
70.11807	3.2
71.01382	23.3
71.05035	1.1
72.99323	4.5
73.02948	7.3
75.00858	1.0
79.48209	0.6
83.01375	2.5
83.05024	3.2
85.02952	13.1
87.00377	1.4
87.00878	18.5
89.02443	22.3
95.01396	4.8
96.96008	2.4
97.02925	1.4
99.00880	20.1
101.02448	9.2
103.00375	2.2
104.48943	0.7
105.01901	1.0
107.05030	1.4
108.02202	1.5
109.02969	0.9
111.00875	0.8
112.98820	6.3
113.01682	1.4
113.02448	22.6
114.02811	0.9
117.03450	0.8
119.03502	2.7
119.05024	2.2
123.04465	0.7
125.02406	1.8
130.99879	3.5
131.03497	4.1
134.03740	1.6
135.04530	6.5
137.02420	1.6
143.03453	2.1
145.02910	1.5
145.10239	1.2
147.04413	1.0
149.00925	13.8
149.04539	13.8
149.05869	1.0
150.03233	1.7
152.01123	2.6
161.02527	0.9
161.04568	8.6
161.05902	1.2
161.09700	2.1
161.13322	3.0
163.03981	3.7
163.11276	2.7
177.01857	1.1
179.03491	2.7
179.05618	1.1
187.11287	1.3
189.09215	1.3
191.05635	5.9
205.12332	6.1
207.10268	14.0
214.75052	0.8
219.02951	1.2
219.08617	0.9
223.13377	55.6
224.13734	4.2
233.06602	3.8
249.11273	2.0
267.12360	21.4
268.12683	1.2
271.02423	1.2
293.02942	1.5
293.08667	4.3
300.02588	1.8
417.10303	1.3
485.23730	3.7
503.24960	31.0
503.32492	1.8
504.25531	4.3
545.25781	3.4
591.20465	1.2
609.14417	1.5
622.92981	0.8
656.27362	0.8
735.36334	4.0
736.37030	0.9
753.36987	100.0
754.37323	22.0
885.38074	9.1
886.37939	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	883.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.20847	3.6
71.01379	2.4
78.95942	1.4
80.96514	2.1
85.02950	3.0
89.02443	1.7
101.02443	2.2
116.92921	1.2
120.26583	0.9
126.90503	1.1
171.10312	4.6
177.29668	1.0
207.10258	2.3
211.13385	2.3
235.08275	3.7
253.09315	5.7
277.21710	23.3
278.22165	1.6
293.21375	1.2
309.20746	2.8
326.63290	1.2
327.21786	12.1
328.22141	1.3
373.25912	1.3
397.13406	1.2
417.27582	1.3
517.84216	1.1
807.72516	1.2
883.45477	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	884.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98542	0.2
71.01386	0.7
71.48248	0.1
78.84598	0.1
78.95945	0.1
80.63944	0.1
80.96546	0.3
83.05068	0.1
85.02937	0.1
89.02460	0.3
98.20678	0.2
99.92613	0.2
101.02464	0.4
113.02435	0.2
119.03532	0.2
131.97896	0.1
133.03006	0.3
146.47334	0.1
165.12822	0.2
177.01968	0.3
183.13895	0.9
209.11868	0.4
210.12170	0.1
225.11398	0.3
244.04494	0.1
255.23386	0.2
277.21738	1.4
279.23010	0.2
397.13510	0.6
399.13913	0.1
415.14917	0.1
517.97797	0.1
809.41431	0.1
885.48114	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	885.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	4.1
69.03443	1.2
71.01383	26.1
71.62389	0.7
72.99294	4.4
73.02950	8.2
75.00851	1.2
83.01382	2.2
83.05042	3.6
85.02946	11.8
86.53791	0.7
87.00381	1.2
87.00877	16.3
89.02444	22.0
93.03449	1.2
95.01371	4.4
96.96001	2.1
97.02945	1.5
99.00886	22.6
99.04523	1.0
99.92588	0.8
101.02442	13.3
103.00391	1.6
105.01948	1.1
107.04962	0.8
108.02170	1.9
109.06642	1.1
111.04469	1.0
112.98814	5.9
113.01686	1.5
113.02451	22.8
116.92857	1.0
119.03481	2.0
119.05042	1.9
122.32430	0.7
123.04516	1.1
124.01595	0.7
125.02444	1.3
125.06085	0.9
130.99838	3.5
131.03506	4.9
133.02975	1.2
135.04544	6.5
137.02428	1.7
139.07648	0.7
141.05585	0.8
143.03447	1.5
145.02953	0.9
149.00922	14.3
149.02103	1.3
149.02638	0.9
149.04555	13.3
149.05862	1.1
150.03227	1.4
152.01086	1.6
159.08073	0.7
161.02405	2.1
161.04588	6.1
161.05942	1.3
161.09689	3.6
161.13318	3.7
163.04033	1.7
163.11237	3.5
164.45775	0.9
165.05559	1.2
173.02351	0.8
175.04054	0.8
177.01849	0.8
177.46291	0.6
178.02621	0.8
179.03485	2.8
179.05513	0.7
179.07051	0.7
179.14279	0.7
187.11237	1.3
191.05605	5.8
193.06847	0.7
193.08549	0.7
201.05611	0.8
205.12326	6.2
207.10260	12.1
209.11838	0.9
212.13841	0.7
223.13394	50.4
224.13724	3.5
233.06636	4.8
245.15111	0.7
249.11266	1.9
267.12354	21.4
268.12750	1.0
271.02518	1.7
293.03076	2.0
293.08743	3.8
300.02747	3.5
301.03558	1.7
358.13672	0.7
381.11563	0.7
417.10202	1.3
485.09326	1.5
485.24084	3.8
503.25000	29.8
503.32452	1.5
504.25443	4.1
545.26385	4.2
593.21991	0.9
609.14490	3.9
735.35254	4.6
753.36969	100.0
754.37219	23.4
885.23029	1.2
885.37988	11.4
886.37164	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	883.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	7.0
69.36099	14.8
71.01388	100.0
72.01683	1.7
72.99317	12.3
73.02960	17.5
75.00887	2.6
83.01401	8.1
85.02950	31.9
87.00887	10.4
89.02447	65.7
95.01382	9.0
97.02956	2.2
99.00900	5.2
100.01220	1.4
101.02448	53.3
108.02216	2.3
109.02942	2.2
111.96664	1.7
112.98808	8.9
113.02461	41.8
119.03512	23.5
119.05032	5.8
123.04582	2.2
125.02431	2.4
131.03525	3.9
133.03015	3.4
135.04561	6.1
137.02422	2.0
143.03517	7.0
149.00957	2.7
149.04579	3.6
152.01175	4.6
161.02431	2.0
161.04570	12.3
163.03958	3.0
163.07562	2.1
165.05556	2.2
167.03510	3.0
175.03973	1.9
177.01967	2.9
179.03455	3.2
179.05652	12.0
184.37016	1.8
223.13460	2.2
282.01828	2.0
394.67242	1.7
417.10425	3.2
432.05289	1.8
485.09283	2.1
495.76657	1.8
499.35770	1.8
529.12469	1.9
599.39569	3.7
707.40448	2.7
751.35706	6.0
761.44879	47.1
762.44897	14.1
763.46069	1.7
779.45917	46.4
780.45642	10.4
797.46997	5.8
798.47107	2.6
821.46991	47.3
822.47192	16.2
839.48273	17.2
840.48523	2.7
883.22772	4.4
884.23468	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	883.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	4.8
64.54990	1.3
71.01385	4.2
71.61889	2.3
72.99324	1.8
85.02963	3.0
87.00864	6.8
89.02441	1.5
89.95344	1.3
93.03461	2.4
99.00884	3.2
101.02452	3.1
103.00340	1.9
106.04214	1.6
107.05019	1.9
109.02946	5.6
112.98820	10.4
113.02433	2.1
119.03512	1.5
119.05019	11.5
121.02940	4.2
121.06592	3.2
123.00883	2.0
123.04520	30.2
124.01653	4.1
125.02345	1.6
133.02943	2.4
134.03738	2.3
135.04538	18.8
137.02434	9.7
137.06100	12.6
137.26657	1.3
138.03206	5.4
139.04028	13.5
145.02928	3.8
147.04530	4.8
149.00917	10.8
149.02425	3.8
149.06064	3.5
150.03230	72.9
151.04018	40.4
152.01137	3.3
152.04703	3.3
159.04510	2.4
161.02484	4.4
161.04585	1.6
163.04013	57.5
164.04817	15.0
165.05576	82.5
166.05957	3.3
167.03448	1.7
175.04022	3.8
177.05554	3.8
178.02699	1.6
178.06352	36.7
179.03508	4.6
179.06938	1.8
183.13867	1.9
191.07140	1.3
193.08688	66.9
194.09035	3.8
203.03548	2.9
205.05042	2.1
209.08205	9.1
210.01878	1.4
211.07533	2.2
217.08640	2.2
221.08168	17.9
222.08662	1.5
233.08157	1.9
235.07384	2.5
235.09761	51.0
236.10048	2.5
255.06628	1.5
277.03494	3.3
283.06100	3.1
284.06897	4.9
285.07407	1.8
287.09595	1.7
295.04465	2.5
299.05609	1.8
299.09082	3.7
300.06390	3.8
301.07068	5.1
302.07892	4.6
316.09415	5.7
317.10275	11.0
318.10638	1.9
327.08704	6.2
369.13617	2.0
387.14487	85.0
388.14819	11.4
463.21933	1.9
531.18689	6.2
549.20117	6.6
591.20795	100.0
592.21161	19.4
633.21594	2.2
735.25311	2.3
753.25989	3.9
754.26715	2.1
795.27118	47.9
796.27783	9.6
913.00720	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	42.0
62.24541	1.9
69.03452	1.9
71.01383	32.5
72.99332	3.1
73.02927	2.9
75.89383	2.1
78.95901	11.1
80.96501	2.2
83.01387	3.0
83.05019	5.6
85.02938	6.5
87.00883	5.2
89.02444	20.5
95.01385	3.3
97.02946	6.8
98.19894	4.2
99.00875	3.4
101.02438	25.2
113.02443	11.9
116.92888	2.3
119.03514	5.3
125.02444	7.2
125.09698	1.9
127.11294	3.7
143.03517	4.9
152.99599	15.4
161.04509	6.3
163.11256	3.5
165.12840	4.4
171.10254	5.5
179.05611	6.3
181.12357	2.3
195.13812	2.6
201.11314	80.6
202.11684	3.2
209.11821	100.0
210.12119	4.6
211.13385	5.4
225.11256	4.0
227.12900	15.7
235.08228	8.4
246.68712	1.8
247.20471	2.0
253.09319	15.1
255.23280	67.5
256.23578	9.6
275.20093	5.5
277.21652	6.4
279.23260	3.3
291.19678	19.6
292.19943	2.5
293.17914	2.9
293.21216	50.7
294.21481	4.5
305.08780	2.4
309.20734	35.9
310.20914	3.2
379.12613	11.3
397.13464	66.7
398.13657	5.4
415.14548	13.6
433.23386	5.7
527.28156	1.8
581.24188	2.9
653.37537	5.4
863.49847	2.2
881.50269	8.7
882.50854	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	882.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42295	0.2
61.98835	100.0
80.96527	0.2
98.20707	0.5
101.02448	0.3
107.66999	0.2
116.92825	0.3
171.10254	0.5
211.13445	0.4
235.08325	0.3
253.09410	0.5
277.21658	2.0
293.21255	0.4
309.20682	0.4
327.21713	1.5
499.89987	0.3
550.97650	0.3
780.66107	0.3
883.47955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03136	3.7
71.01393	2.4
74.89676	0.9
75.77966	0.9
87.00875	3.3
89.02474	1.0
101.02433	1.9
103.00385	1.5
107.05046	1.0
109.02948	3.5
112.98795	6.2
113.02460	1.1
113.14450	1.0
117.08880	0.9
118.63931	1.0
119.05040	7.7
122.03745	1.0
123.00880	1.8
123.04518	2.7
124.01645	5.3
125.02412	1.4
134.03737	2.7
135.04510	5.7
136.01688	4.5
137.02486	6.9
137.05971	1.1
138.03227	12.2
138.05006	1.0
139.04045	4.9
145.02971	2.0
149.00926	3.9
149.02444	3.2
149.06062	1.4
150.03232	61.4
151.04062	7.0
152.01175	1.9
152.04778	3.6
157.06558	1.2
158.41101	1.0
161.02437	2.7
162.03117	1.2
163.03989	15.9
164.04796	11.4
165.05569	42.8
166.05936	1.3
174.03233	1.2
175.04010	2.1
175.07648	1.8
176.04733	1.2
177.05528	3.0
177.09192	2.0
178.02638	1.6
178.06351	7.4
179.03540	3.1
179.07088	5.1
187.04036	1.1
188.04788	1.1
189.05502	2.7
189.09245	1.8
190.06293	2.9
191.07130	4.6
192.07864	2.3
193.05119	1.2
193.08661	4.3
201.05659	1.6
202.06367	3.6
203.03519	1.3
203.07182	7.9
204.07774	1.6
205.08730	10.2
206.05847	2.6
206.09030	1.2
207.06577	1.5
207.10246	1.6
209.08183	9.1
211.07672	2.6
215.07088	1.7
217.08676	7.7
219.06578	1.6
220.07410	2.6
221.08177	22.3
222.08578	1.7
229.08665	1.7
233.08284	2.4
235.09746	65.6
236.10107	5.5
247.09714	3.2
269.04559	2.4
275.09354	1.4
277.03442	2.3
281.04620	1.2
281.62469	0.9
285.04077	1.7
286.04712	1.2
287.05615	4.3
293.03073	1.0
295.04678	2.8
300.06232	1.8
302.07925	5.2
327.08600	2.4
337.10629	1.2
353.10217	1.8
354.11047	2.7
355.11780	1.5
369.13522	3.5
370.10864	1.4
372.12378	1.6
387.14478	93.6
388.14859	10.7
531.18634	6.0
540.63159	1.1
549.19696	8.9
550.20099	1.3
573.19965	1.6
591.20825	100.0
592.21136	18.1
721.32495	2.3
730.74139	1.1
735.25726	1.3
753.25873	4.3
795.27148	37.1
796.27386	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	881.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	18.6
65.04614	1.6
70.58795	5.2
71.01378	30.5
72.99285	3.0
73.02955	4.1
78.95925	1.9
81.03468	2.2
83.01374	2.6
83.05035	3.5
84.52625	1.7
85.02958	5.4
87.00857	7.7
89.02444	20.0
92.56960	1.6
95.01376	1.8
97.02941	4.0
99.00880	3.6
101.02457	18.0
112.98817	4.1
113.02424	10.9
115.00399	2.4
119.03502	5.8
120.05452	1.5
121.92879	1.6
125.02460	5.7
125.06099	1.7
125.09729	2.9
127.11300	3.1
137.09642	1.8
142.99876	3.9
143.03477	3.6
161.04521	4.6
163.11273	5.7
171.10265	3.3
174.01703	6.9
175.02451	4.1
179.05634	4.1
201.11317	81.7
202.11667	3.9
209.11827	100.0
210.12230	6.3
211.13335	12.5
212.13873	1.9
227.12898	14.0
235.08284	7.3
253.09233	6.4
255.20615	4.2
255.23276	71.5
256.23608	9.6
275.20084	1.9
277.21722	14.4
287.07779	3.2
291.19650	3.3
293.21191	13.6
305.08859	2.2
309.20862	11.0
374.78998	1.7
379.12311	13.4
397.08157	3.5
397.13498	69.0
398.13785	6.5
415.14578	12.5
581.24554	3.9
599.25391	1.8
653.37579	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	881.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.9
67.01878	0.9
68.99821	3.0
69.03458	0.7
71.01382	28.9
71.22652	0.8
72.99301	2.5
73.02952	2.5
75.00449	0.8
75.00872	14.5
83.01385	2.9
85.02953	11.7
85.12759	0.4
87.00881	3.8
89.02444	9.3
95.01397	5.7
97.02963	0.6
99.00887	15.4
101.02446	13.0
108.02268	0.4
109.02908	0.5
112.98823	0.9
113.02448	10.4
115.00367	0.5
119.03487	1.8
129.01939	0.7
135.04492	0.7
139.00386	1.0
143.03453	0.5
157.01410	1.2
161.04585	0.8
169.68272	0.4
245.06036	0.5
310.28806	0.5
385.36185	0.5
423.57150	0.5
439.35779	1.4
447.93576	0.4
457.07666	0.5
465.37463	1.1
472.91855	0.5
611.42664	0.8
631.47620	0.5
675.40808	0.7
701.42493	1.5
805.46912	0.7
881.48987	100.0
882.49371	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	881.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	2.6
69.03450	0.5
70.10575	1.0
71.01376	2.7
72.64318	0.3
72.99303	0.6
73.02939	1.3
81.03439	0.9
83.01389	1.9
85.02962	0.5
87.00877	1.2
89.02419	0.7
93.03442	0.7
95.01374	0.6
98.20605	0.4
99.00874	0.6
101.02461	1.5
105.30677	0.3
107.08677	2.0
108.02203	0.7
109.02968	0.9
109.06600	5.4
110.06964	0.4
111.30108	0.3
112.98812	2.4
113.02428	0.8
116.92825	0.4
119.05020	1.1
121.02969	0.8
122.03786	0.7
123.04483	0.4
124.01665	11.6
125.02428	1.5
125.09724	6.5
126.10051	0.4
133.02959	0.8
134.03769	0.8
135.04523	3.3
136.01692	0.5
137.02461	3.7
138.03160	0.5
139.03990	0.8
139.08284	0.3
145.02917	0.6
147.04506	0.4
147.08224	0.6
148.01648	1.2
149.00938	0.9
149.02446	1.3
149.06049	0.4
149.09721	8.8
150.03221	4.0
150.10034	0.6
151.07645	6.1
160.01685	0.4
161.02451	1.1
161.04591	0.6
161.05850	0.3
163.00381	0.4
163.04021	1.2
165.01907	0.7
165.05560	1.0
166.02730	0.9
175.42883	0.4
176.01141	3.2
177.01862	0.8
177.05565	0.9
177.09203	0.4
178.02637	0.3
179.03503	1.3
189.09222	0.6
191.03551	2.2
191.05098	0.4
191.07173	0.6
193.08690	100.0
194.09064	6.2
198.64334	0.3
203.03587	0.4
205.08557	0.7
207.10320	0.5
217.08653	5.3
233.08118	1.0
235.09683	1.3
245.08115	1.0
323.25967	0.4
351.12497	0.6
367.24939	1.8
368.89371	0.4
383.11282	0.6
385.12833	2.5
397.15012	1.2
427.13770	0.7
497.27798	0.7
529.16913	0.3
547.18481	0.5
589.19232	33.0
589.32550	1.4
590.19684	6.8
631.20844	1.1
793.25299	2.4
794.25879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	10.7
70.08853	1.5
70.09260	3.6
71.01389	10.9
72.99316	2.4
73.02939	2.1
75.00885	1.4
83.01392	3.5
84.02213	1.0
85.02945	4.3
87.00883	4.0
89.02470	4.4
93.03459	1.9
96.96010	1.9
99.00856	2.9
101.02471	6.0
108.02149	2.0
109.02941	2.0
109.06596	6.4
112.98812	11.1
113.02461	4.0
119.05003	3.6
121.02941	2.1
122.03782	1.3
124.01656	9.4
125.02437	2.1
125.09741	5.2
128.03558	1.4
133.02954	3.0
134.03716	3.2
135.04514	11.2
137.02454	10.0
139.03995	1.5
145.02939	2.0
148.01689	2.6
149.00919	3.0
149.02408	1.9
149.09718	9.6
150.03207	4.3
151.07643	5.1
152.01175	1.9
160.01683	1.4
161.02451	3.0
161.04576	2.6
163.04015	3.8
165.05513	2.7
175.03999	1.9
176.01126	3.3
177.01953	2.2
178.02618	1.5
179.03532	4.2
183.13832	2.0
189.09172	1.7
191.03423	2.3
193.08693	100.0
194.09023	4.5
194.91536	1.3
195.13197	1.3
209.11823	1.2
217.08722	5.4
219.03148	1.1
219.41005	1.1
227.12874	1.3
233.08249	1.3
235.09810	2.1
257.48492	1.2
293.03189	1.5
337.13025	2.1
348.18460	1.4
375.27505	1.9
376.27737	1.5
385.12701	2.8
439.13651	1.5
547.18384	1.2
558.26740	3.1
558.76514	1.9
589.19318	34.1
590.19629	6.9
600.10394	1.4
777.44220	4.3
793.26080	1.7
794.25708	1.7
794.40814	1.4
795.45068	2.2
837.45721	2.7
838.79163	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.6
66.54826	0.7
69.03438	1.6
71.01389	16.7
71.05003	3.3
71.61225	0.7
72.99301	1.6
73.02933	2.6
75.00855	0.8
82.89990	0.6
83.01397	2.0
85.02968	3.3
87.00885	3.9
89.02452	11.1
95.01392	1.6
95.05048	0.8
97.02950	6.6
97.06590	1.5
99.00890	14.3
101.02438	11.2
105.13303	0.7
109.06596	1.5
111.00899	0.8
113.02438	5.1
116.92897	0.8
119.03481	3.0
122.28978	0.6
123.08156	1.3
125.02441	3.3
125.09740	5.1
127.11240	0.7
135.08078	1.2
136.05342	0.6
142.02699	1.4
143.03468	1.2
161.04514	2.3
163.11304	7.8
171.10312	3.5
179.05624	1.0
179.10733	0.9
181.12352	13.4
182.12650	0.8
197.11800	2.0
199.13391	9.0
200.13817	0.7
201.11330	1.4
207.10263	29.8
208.10487	1.3
209.23912	0.8
209.60391	0.7
221.06544	1.8
225.11322	37.5
226.11670	3.2
235.08202	2.2
243.12355	9.4
253.09328	1.7
255.23294	55.0
256.23621	4.2
291.19662	9.7
292.20218	1.0
309.20630	3.0
379.12384	1.2
397.13486	9.4
415.14471	1.9
457.62973	0.7
527.28754	1.3
605.24390	1.9
623.25568	1.8
653.38104	1.2
654.37207	0.7
861.48657	13.8
862.49164	4.6
879.49585	100.0
880.49847	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	879.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	18.3
63.18121	1.6
70.63481	3.8
71.01386	12.3
73.39759	1.8
80.56529	1.6
83.01404	2.3
85.02949	2.0
87.00878	2.7
88.59136	1.8
89.02443	5.9
97.06621	2.4
98.20501	2.2
101.02449	8.1
110.92117	1.7
112.63979	1.7
113.02461	3.3
116.92887	1.8
125.02483	1.7
125.09708	1.8
152.99554	1.9
157.89287	1.6
161.04616	3.8
163.11345	2.7
171.10281	7.4
185.11858	2.2
188.85149	1.5
191.14481	5.9
195.13823	7.9
201.11278	1.9
207.10320	2.4
209.11813	6.5
223.13385	6.5
225.11304	7.5
230.40654	1.6
235.08258	2.5
237.11288	2.2
243.47626	1.7
245.18890	7.7
253.09299	18.6
255.23332	6.7
256.13220	2.4
263.20245	2.2
275.20157	7.4
289.18091	42.8
290.18442	7.4
293.21249	100.0
294.21686	9.8
307.19186	41.1
308.19699	3.6
397.13504	6.2
415.14832	2.5
512.95355	2.0
525.26929	2.2
879.48132	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	879.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	5.5
69.03470	2.8
71.01391	42.7
71.05017	2.9
71.61578	1.5
71.61958	2.0
72.99293	1.8
73.02928	5.0
75.12233	1.7
80.81831	1.7
80.96494	2.5
83.01409	2.8
85.02934	3.5
87.00864	4.8
89.02441	14.9
97.02937	5.6
97.06599	3.8
99.00884	17.1
101.02434	12.6
109.06589	2.3
111.04573	1.9
113.02454	5.5
114.05025	1.7
119.03526	2.9
125.02445	4.4
125.09705	7.1
143.03528	2.3
147.51627	2.0
160.45015	1.6
161.04562	3.5
163.11281	10.9
171.10248	9.6
179.05608	2.5
181.12363	15.4
199.13348	7.9
199.15053	1.9
201.11342	6.2
207.10271	28.4
212.39722	1.7
225.11324	39.5
235.08203	3.6
243.12364	13.8
255.23317	52.9
256.23557	5.2
259.59122	2.0
397.13461	16.9
415.14478	3.3
682.16406	2.0
861.48022	2.7
879.49664	100.0
880.50012	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	3.3
67.01904	0.6
67.87944	0.6
68.99831	3.4
69.03457	5.6
69.91815	3.5
71.01383	25.2
72.99306	2.1
73.02939	2.8
75.00872	19.1
82.75767	0.6
83.01394	3.4
85.02947	16.8
87.00864	1.2
89.02446	7.6
95.01376	3.6
96.56264	0.7
97.02944	8.8
99.00876	16.8
101.02448	1.9
112.98750	0.9
113.02447	8.3
115.00383	1.1
116.11224	0.8
116.92873	1.7
125.02444	14.9
129.01915	0.8
143.99176	0.6
286.93768	0.7
339.89584	0.7
399.28726	0.8
415.64496	0.8
567.40411	0.7
600.56372	0.7
600.94635	0.9
875.47949	100.0
876.48309	33.0
905.80365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	41.7
63.88880	7.5
69.85278	9.5
71.01378	15.4
71.62051	9.9
82.61516	8.2
88.98797	11.5
104.19688	7.6
107.28755	6.7
116.92868	17.3
149.28870	7.1
171.10258	11.8
192.32527	7.2
211.13387	9.0
235.08263	17.1
253.09290	41.9
293.21191	100.0
309.20956	9.2
327.21765	93.4
328.22241	10.4
329.82101	7.9
563.31158	18.9
741.74396	7.6
767.09106	8.6
875.48401	65.3
876.48914	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	877.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36407	0.7
61.98837	1.1
69.03449	4.9
71.01384	14.0
71.05036	0.9
72.99287	1.5
73.02946	2.0
83.01379	1.5
83.05064	1.1
85.02959	3.5
87.00876	2.2
87.70700	0.7
89.02453	8.0
97.02946	2.6
98.20583	2.3
99.00845	1.4
101.02452	8.6
103.22639	0.8
110.53134	0.6
113.02436	3.8
116.92856	5.7
119.03500	2.2
121.34206	0.7
123.08142	1.4
125.02441	2.2
125.09721	1.5
141.05508	0.8
143.03609	0.8
151.11267	2.6
153.12874	1.0
159.83725	0.7
161.04494	1.2
161.09721	2.6
179.05525	1.0
179.10722	5.3
187.78862	0.7
197.11832	35.4
198.12117	1.7
209.11810	1.3
221.06670	2.2
229.28618	1.2
235.08171	1.2
241.10867	2.0
253.09480	1.0
255.23299	49.1
256.23654	5.0
269.24664	1.1
370.33206	0.9
397.13388	2.9
603.76025	0.8
866.27997	0.9
877.47992	100.0
878.48376	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	8.5
69.33279	7.8
71.01390	5.8
72.99309	2.5
73.02943	0.8
80.80864	0.9
81.03468	1.0
83.01395	1.3
84.99313	7.3
85.02959	1.7
87.00861	3.6
89.02435	3.5
93.03453	1.5
96.95981	1.9
99.00858	1.1
99.96406	0.8
101.02408	2.4
103.00360	1.1
104.70499	0.8
108.02155	2.4
109.02941	3.0
111.00832	1.0
112.98810	100.0
113.02457	2.1
113.99133	2.2
116.92889	1.1
119.05033	2.4
121.02941	3.3
122.03725	2.6
122.85218	1.0
123.00842	1.4
123.04505	1.4
125.02457	1.8
125.33862	0.8
127.00357	0.9
129.08832	0.9
130.99832	1.3
133.02936	3.2
134.03748	10.2
135.04510	7.7
136.07629	0.8
137.02483	7.5
139.00436	1.0
139.04004	2.0
145.02963	2.4
147.04509	2.7
148.05263	1.1
149.00955	5.3
149.02396	3.6
149.06038	4.1
150.03201	11.5
151.00366	9.3
151.03989	2.6
152.01118	2.9
152.04810	1.1
153.01920	1.1
158.03763	1.0
159.04439	1.3
160.01575	1.8
161.02426	2.8
161.04523	0.8
163.03992	2.5
165.05569	9.2
166.02713	31.0
167.03267	3.0
168.00529	0.9
173.06001	1.1
174.03285	0.9
175.03951	2.2
176.04720	2.8
177.01917	1.7
178.02708	4.8
179.03491	4.2
180.04176	1.7
181.05061	38.7
182.05328	1.3
190.06305	1.3
191.03444	2.4
191.07085	1.9
193.05060	12.9
195.06615	5.7
202.00397	0.8
203.03523	1.6
205.04907	1.9
206.05830	1.5
207.06639	1.3
216.16747	0.9
217.05011	1.6
219.03032	1.4
220.03883	1.2
220.07385	1.2
221.08188	2.0
235.05959	2.0
249.05452	1.3
251.07057	1.9
263.07187	2.0
267.06726	4.4
279.06601	5.3
282.08994	1.5
287.18512	1.7
293.02991	2.0
293.08032	1.5
294.05548	1.5
294.08859	1.1
295.06003	2.0
307.04309	1.2
309.07675	2.3
321.07730	1.2
322.08408	1.3
323.05597	3.1
323.09216	1.1
324.10052	1.1
338.07837	2.2
341.10178	6.1
353.10324	10.4
354.10803	1.7
365.06537	1.1
371.11221	2.7
372.11972	3.0
373.25888	5.8
383.11398	2.3
387.10583	3.8
387.15042	7.4
395.11597	4.5
402.12943	4.6
403.14590	0.9
413.12299	1.1
417.15540	38.3
418.15823	3.9
485.10858	3.4
519.16364	1.0
519.24438	2.5
526.68164	0.9
581.32135	1.1
597.23297	3.2
609.23730	1.2
627.24420	21.3
628.25238	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	873.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02391	0.9
66.69034	0.6
69.35938	6.5
70.46394	0.8
72.99318	5.3
87.00875	30.0
88.01208	0.8
101.02435	0.7
103.00372	61.9
104.00758	1.0
109.02911	1.2
110.67951	0.8
112.98831	3.9
119.05042	1.3
123.04548	0.9
130.99863	59.5
132.00206	1.2
133.02936	2.6
134.03712	0.8
135.04532	2.2
137.77316	0.8
147.04520	100.0
148.04863	6.6
149.00894	1.0
151.00369	1.9
152.01218	1.0
163.03975	0.9
166.48186	0.7
167.03485	1.4
175.03979	1.2
179.03516	1.0
198.71223	0.7
199.04184	0.9
200.67326	0.7
241.04585	0.8
275.09314	2.2
276.09631	1.4
279.05087	69.1
280.05414	5.4
284.03214	8.4
285.04028	66.3
286.04352	6.1
293.10114	1.2
343.12848	1.1
559.45221	0.8
593.15082	67.3
594.15485	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	870.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.25760	0.1
65.17160	0.1
70.63194	0.2
70.63521	0.2
71.01383	0.2
72.69329	0.1
88.20090	0.1
117.19875	0.1
162.55576	0.1
171.10281	0.4
172.10709	0.2
255.23323	0.2
256.23672	0.2
314.54028	0.1
397.13599	0.2
404.74036	0.1
535.30353	0.1
564.84601	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	871.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06116	0.6
68.27848	0.6
70.11681	0.7
70.12012	2.4
71.01376	1.9
72.38020	0.6
72.99303	6.8
73.02903	0.7
83.01371	0.7
87.00875	21.6
93.03455	0.7
97.02920	0.5
97.06573	1.1
99.00885	1.2
100.82700	0.6
101.02428	1.5
103.00370	12.2
105.03460	2.4
107.31173	0.6
109.02935	0.8
110.18370	0.6
112.98044	0.9
112.98808	15.9
117.03444	1.9
117.39674	0.6
119.05047	4.2
121.63463	0.6
123.04533	0.7
125.02463	2.5
130.99846	5.6
133.02968	7.5
134.03741	13.8
135.04527	7.4
137.02393	1.0
145.02905	1.4
147.04597	0.7
148.05212	0.6
149.00911	45.1
150.01234	1.4
151.00342	1.1
159.04512	2.5
163.04010	4.4
165.24980	0.6
172.05270	1.1
173.06094	1.6
174.03210	3.8
174.06773	3.2
175.07672	2.9
178.02715	2.6
179.03461	1.0
184.05252	0.7
187.04070	2.8
187.07634	8.4
197.06113	1.9
201.05437	1.2
201.09245	0.6
202.06377	3.9
203.07077	1.7
203.09210	0.6
203.10782	4.2
213.09196	15.1
215.07109	2.7
218.05853	0.7
221.04440	0.6
223.11523	0.5
229.08636	0.9
231.10254	42.6
232.10539	2.0
245.13892	1.3
246.05391	1.6
254.01929	0.6
255.02936	2.3
257.08200	19.7
257.10898	1.3
258.08478	2.0
270.36716	0.6
271.02460	4.0
275.09241	100.0
276.09564	9.5
300.02716	7.5
301.03391	3.9
389.08618	0.8
407.09805	27.0
407.26532	0.8
408.10059	3.7
419.11929	2.5
461.12982	0.7
463.08701	11.0
464.08984	1.4
529.15869	0.7
563.16089	1.8
565.72968	0.6
707.30060	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98525	0.2
62.99268	0.1
68.15699	0.1
70.27908	0.2
70.28290	0.2
79.95723	0.1
80.96508	0.4
94.98083	0.1
101.18936	0.1
112.26250	0.1
150.21083	0.1
166.27020	0.1
193.28906	0.1
199.76523	0.1
475.29407	0.1
868.50378	0.2
869.47919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98538	0.2
65.29544	0.1
66.31037	0.1
75.24212	0.1
80.96514	0.1
95.44069	0.1
102.35609	0.1
106.97749	0.1
108.83508	0.1
128.73813	0.1
171.10294	0.2
185.02171	0.1
199.68007	0.1
203.01671	0.1
211.13443	0.2
229.35487	0.1
277.21671	0.1
294.21686	0.1
305.56735	0.1
333.85226	0.1
408.11099	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	21.3
70.64502	3.0
70.64874	2.8
71.01376	10.1
72.99308	2.5
73.02945	2.5
80.96607	1.5
83.01391	2.1
85.02977	4.2
87.00892	4.0
89.02468	4.3
96.96031	3.8
97.02932	3.8
99.00903	2.1
101.02433	5.4
109.02995	1.7
112.98830	8.3
113.02442	4.3
116.92892	2.2
119.05043	4.1
121.02938	1.9
123.04544	2.1
124.01685	4.7
133.02917	1.8
134.03726	2.2
135.04518	6.3
136.01631	3.0
137.02438	3.3
138.03226	3.3
139.04001	4.3
145.02930	2.9
149.00874	2.0
149.02446	3.1
149.06012	1.6
149.09671	1.5
150.03227	54.5
151.03951	2.2
160.01826	2.4
161.02423	4.2
161.09819	1.6
163.04030	5.0
164.04758	7.4
165.05562	39.3
166.05951	2.9
174.06241	1.7
175.03975	1.7
176.04855	2.1
177.05368	1.9
177.09248	2.4
179.03471	3.4
187.07678	2.0
189.05547	3.9
190.06239	2.5
191.07130	2.1
191.10811	3.0
193.08701	12.4
203.07095	3.2
204.07832	5.7
205.08696	33.6
206.09201	2.8
209.68646	1.5
217.08659	3.3
218.09383	2.5
219.10251	67.1
219.12389	3.5
220.10617	5.2
231.10295	3.9
237.07668	2.9
252.04388	1.7
261.78882	1.8
267.06570	2.2
269.04343	1.5
285.03839	2.1
287.05588	3.8
301.07489	1.6
302.07916	5.5
354.11008	4.2
356.12534	1.6
369.13376	4.9
370.14236	3.2
371.14978	100.0
372.15302	11.6
383.68210	1.5
413.16132	2.9
437.15771	2.6
515.19208	44.8
516.19482	6.1
533.20251	7.4
575.21289	76.2
576.21686	14.3
719.26270	3.7
737.26251	3.4
763.46033	2.6
779.27686	6.9
849.38037	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	866.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.76363	0.2
71.01389	0.3
71.10278	0.3
71.58856	0.2
78.98613	0.2
79.95747	0.5
80.96514	2.5
82.96077	0.2
94.98086	0.6
101.23167	0.2
109.71362	0.1
121.41946	0.2
134.97617	0.2
152.98586	0.2
164.98616	0.4
174.12608	0.2
225.00774	0.7
288.31110	0.2
488.85059	0.2
866.50037	2.6
867.51569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.0
67.18331	0.3
71.01381	1.3
71.62363	0.4
77.78827	0.4
85.02945	0.6
89.02426	0.6
101.02457	0.7
109.02946	1.4
112.98767	0.6
113.02477	0.4
121.02952	0.4
122.03740	1.2
123.00883	0.5
123.04539	0.9
124.01673	4.1
125.02459	0.9
130.07262	0.3
135.04568	0.8
136.01648	2.2
136.05304	0.7
137.02443	2.4
138.03232	3.1
139.04007	2.3
142.05731	0.4
149.02437	2.4
150.03224	53.2
151.03696	2.5
159.08107	0.6
161.02402	1.5
161.09709	0.5
162.03214	0.7
163.04022	3.0
164.04807	8.5
165.05565	36.4
166.05914	2.1
172.05299	0.8
173.06137	0.4
175.04004	1.4
175.11354	0.5
175.51912	0.4
176.04782	1.4
177.09206	3.4
178.02730	0.5
179.01147	0.4
179.07123	0.8
180.65697	0.3
187.07675	1.3
188.04776	0.7
189.05571	3.4
190.06328	2.1
191.07111	2.5
191.10800	2.4
192.07910	1.0
193.08691	11.2
194.09071	0.6
201.09175	1.5
203.07141	3.1
204.07924	4.3
205.08690	36.8
206.09198	2.7
217.08652	2.1
218.09473	0.9
219.10249	68.7
220.10597	5.3
231.10251	3.4
269.04584	1.2
270.05188	0.8
272.03024	0.6
284.06854	0.6
285.04025	0.5
286.04587	0.6
287.05536	3.1
301.06934	0.5
302.07956	4.4
323.09851	0.4
338.11652	1.9
339.12210	1.2
341.10739	0.8
353.13876	1.3
354.10986	0.7
355.11734	0.5
356.12592	1.5
369.13260	0.8
370.14185	0.8
371.14978	100.0
372.15302	13.0
413.16095	0.6
504.15411	0.4
515.19312	3.9
516.19611	0.5
533.20264	2.5
557.20068	0.7
575.21326	79.2
576.21667	17.8
576.30811	0.8
617.22620	0.6
717.85577	0.3
719.25433	0.5
737.26587	0.7
779.27631	3.8
780.27802	1.1
839.54272	0.4
866.15411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.95145	0.1
62.98535	0.2
68.25716	0.1
69.65856	0.5
69.66275	0.3
71.01404	0.3
80.96526	0.2
85.02960	0.1
87.00938	0.1
89.02470	0.2
98.19872	0.2
101.02439	0.2
102.94002	0.1
107.97890	0.1
109.45568	0.1
116.92830	0.1
125.02448	0.2
171.10240	1.2
201.11322	1.0
202.11662	0.4
217.20589	0.1
249.08052	0.1
255.23338	0.6
270.82318	0.1
277.21707	0.1
283.26514	0.2
343.64386	0.1
379.12463	0.2
394.35559	0.1
397.13724	0.7
398.13943	0.2
415.14462	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	866.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	1.7
63.96225	1.1
67.91769	0.7
68.12720	0.7
69.29620	6.8
71.01376	6.3
71.93165	0.6
72.92168	0.7
73.02947	1.0
78.95904	1.6
78.98595	3.3
79.95738	100.0
80.96517	55.9
85.02966	1.6
87.00862	1.4
89.02450	0.9
94.98087	10.7
96.95992	1.9
97.02947	1.3
101.02451	3.2
106.98106	1.5
111.94698	1.0
113.02435	1.0
122.97614	3.4
125.02460	2.3
134.97583	3.0
136.99141	2.2
143.68927	0.7
148.99107	4.8
152.97592	0.7
152.98616	4.0
152.99652	1.7
161.04553	2.3
164.98653	6.7
169.12286	0.9
171.10272	3.0
179.00189	0.7
183.32552	0.7
197.87802	0.7
206.99709	3.9
209.11810	1.6
223.99947	2.4
225.00735	15.8
226.00838	0.8
241.00250	3.6
255.23358	4.6
283.04843	1.1
293.21347	1.0
299.08813	0.7
315.16907	0.8
341.05408	5.9
355.06879	1.4
361.76358	0.8
397.13000	0.9
425.14917	7.0
433.23605	1.6
469.14224	1.0
495.57755	0.9
537.27478	5.7
579.28735	1.5
609.29083	2.0
623.31006	1.1
628.27710	0.9
637.32684	2.5
651.33990	1.0
665.35791	1.7
679.37262	3.3
719.39642	1.2
735.40259	1.2
736.40472	0.8
747.78113	0.8
763.39355	15.1
764.39453	5.0
765.40894	10.1
766.41174	2.2
781.40643	11.2
782.41266	2.9
845.45819	0.8
866.46051	1.1
867.49561	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	865.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98521	4.6
61.98833	91.6
62.79093	2.7
69.82312	2.7
71.01365	8.9
71.61320	4.3
75.03349	2.8
76.69297	2.7
77.19504	3.1
78.98574	4.6
79.95728	18.0
80.96518	88.4
85.02975	4.3
87.00842	3.5
94.98093	22.0
101.02407	2.9
122.97573	5.8
127.04016	3.2
134.97638	5.4
148.99084	5.7
152.98642	6.0
164.98586	14.5
206.99634	4.0
225.00703	19.7
643.50470	3.1
645.54779	4.2
760.00696	3.1
865.49841	100.0
866.49786	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01710	12.1
60.15123	4.3
60.96328	5.2
63.02726	4.2
64.96014	4.7
65.12776	4.5
69.31682	27.2
69.32101	15.1
69.66894	4.7
71.01380	77.7
73.02949	55.1
80.37503	5.3
83.01379	16.7
83.05025	7.4
85.02935	22.5
87.00861	8.3
89.02444	28.5
95.68015	5.5
101.02444	63.8
109.02893	7.9
113.02457	28.0
118.90295	4.9
119.03489	21.5
119.05016	7.0
121.10202	5.0
123.08155	40.9
131.03506	6.2
133.01448	6.3
135.04512	12.9
143.03496	9.2
149.00883	13.1
149.04530	16.1
152.01123	5.7
153.65155	5.6
156.60434	5.2
161.04546	44.7
163.04013	5.7
163.11230	26.1
175.03918	6.9
179.03513	9.0
179.05591	12.1
181.08583	6.7
189.12848	77.1
190.13116	7.6
203.05635	15.3
207.13884	100.0
208.14284	5.5
221.06630	17.8
225.14922	19.5
261.05457	9.0
285.06781	5.4
293.02997	5.0
327.08270	6.7
347.16980	7.3
369.19116	5.8
383.56842	5.6
387.20169	18.2
429.21204	96.4
430.21417	12.0
669.84741	5.0
685.07776	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.0
69.03453	0.8
69.49773	4.0
71.01385	17.7
72.99300	2.3
73.02951	3.4
75.00829	0.5
80.96518	0.6
81.03485	0.9
83.01392	2.1
83.01818	0.5
83.05009	0.6
85.02955	4.6
87.00879	3.7
89.02451	15.9
90.02847	0.4
95.01402	1.1
95.05062	0.6
97.02960	2.7
97.06602	0.7
98.20591	1.0
99.00877	1.3
101.02451	11.9
105.15868	0.5
111.08174	1.8
113.02470	6.4
115.04061	0.7
116.92852	0.5
119.03523	3.4
125.02454	3.8
131.03511	0.6
133.35913	0.5
143.03464	1.3
155.45110	0.5
161.04564	2.3
165.12846	6.5
166.47357	0.5
179.05609	1.4
183.13911	46.7
184.14249	3.3
185.04483	0.6
199.09692	1.4
209.11826	2.0
221.06685	2.2
227.12978	2.8
235.08202	2.0
251.72316	0.5
255.23302	68.4
256.23651	6.7
277.21863	0.6
283.26300	0.7
323.10028	0.5
379.12512	1.6
397.13528	11.4
397.18427	1.1
398.13855	0.7
415.14508	1.9
607.26147	0.9
625.27008	1.1
719.69952	0.5
845.48810	0.7
863.50110	100.0
864.50452	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	865.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01719	11.0
60.62781	3.5
71.01382	54.8
71.57498	4.4
71.61738	3.9
73.02946	22.2
83.01379	8.2
83.05016	4.4
85.02930	17.7
87.00938	5.0
88.52851	4.1
89.02438	16.7
99.00866	4.4
99.57885	4.2
101.02460	35.5
103.08302	3.5
106.66013	3.5
106.93137	3.9
113.02428	20.3
119.03459	5.5
123.08181	20.0
135.04492	11.7
137.09724	6.8
149.00899	4.0
161.04546	18.6
163.03998	6.4
163.11279	21.7
167.85895	3.6
172.72733	4.1
179.03502	4.3
189.12854	40.7
203.05568	5.5
207.13890	41.0
225.14908	11.7
305.16068	14.3
347.17163	12.8
387.20200	13.3
391.23376	10.9
429.21243	100.0
430.21527	16.3
616.16687	5.1
865.28217	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	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29369	1.1
69.03460	1.5
71.01389	23.1
73.02955	3.4
78.51523	1.1
78.95909	1.2
83.01398	2.1
84.35600	1.4
85.02936	5.2
87.00854	4.5
89.01991	1.6
89.02444	15.9
93.57951	1.0
95.01368	1.3
97.02950	2.3
97.38809	1.2
97.98792	1.1
99.00902	2.4
101.02441	13.0
113.02431	8.5
116.92869	1.1
119.03493	3.3
121.02977	1.1
125.02436	4.8
145.68451	1.2
161.04567	3.1
165.12859	6.1
179.05612	2.8
183.13890	72.5
184.14215	3.3
199.09729	2.1
199.13263	1.1
209.11749	3.5
221.06635	3.5
227.12912	8.3
235.08099	1.6
255.23289	47.7
256.23584	3.9
277.21616	1.4
283.26474	1.9
291.19437	1.9
293.21429	1.5
379.12753	1.9
397.13519	13.6
415.14468	2.5
514.63391	1.5
607.25812	2.3
625.27185	2.2
791.22919	1.3
798.41400	1.3
863.50018	100.0
864.50348	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	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	2.3
69.03468	0.8
71.01382	15.1
72.24583	0.6
72.99306	1.6
73.02941	2.5
80.02640	0.9
81.03442	2.0
83.01372	1.4
83.05029	4.1
84.02131	0.6
85.02953	4.2
85.44650	0.6
87.00882	4.5
89.02447	13.4
93.81442	0.6
95.01405	1.1
97.02968	2.4
98.20625	1.5
99.00854	1.1
101.02447	12.7
113.02437	6.2
116.92867	1.2
119.03526	3.0
125.02470	6.9
131.03545	0.9
133.22362	0.6
135.08156	0.6
139.04019	0.9
142.13530	0.8
143.03499	2.0
161.04576	3.7
163.11316	3.0
163.13333	0.5
165.12805	2.2
179.05553	4.1
191.10805	0.8
199.09792	0.6
209.11827	100.0
210.12163	6.0
217.07211	1.1
221.06711	1.1
227.12868	13.8
228.13277	1.1
235.08180	5.2
253.09193	1.2
255.23291	55.4
256.23685	5.2
269.24915	0.7
283.77222	0.6
287.07782	2.0
291.19867	0.9
305.08905	1.4
323.10040	0.8
379.12463	8.0
397.13504	40.2
398.13828	3.5
415.14606	8.3
416.14844	1.0
589.25159	0.9
653.37012	1.1
777.75482	0.7
863.49036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.428
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01706	19.1
62.24990	4.7
71.01387	85.5
73.02954	43.7
83.01392	13.5
85.02950	22.3
85.19033	5.5
87.00900	13.9
89.02429	27.4
96.96014	12.6
98.19837	14.3
99.00874	4.9
101.02445	69.6
108.02177	39.2
109.02929	16.1
112.98792	7.0
113.02453	32.6
119.03501	13.6
121.02959	6.7
122.06145	6.4
123.04553	6.8
123.08155	45.5
125.02464	11.3
133.03014	7.4
135.04507	43.2
137.02480	13.3
137.09740	6.2
143.03450	6.1
146.06161	8.5
149.00946	10.8
149.04575	13.0
152.01184	63.4
161.02504	7.7
161.04581	42.8
163.04001	5.8
163.11295	32.2
174.05589	5.4
179.03534	24.5
179.05672	14.0
189.12868	66.1
192.02899	5.8
193.04939	7.0
203.05649	14.8
207.13908	100.0
208.14284	11.6
221.06779	11.8
243.11404	6.2
290.25812	5.5
327.09149	6.1
329.15088	18.4
355.12750	11.6
373.13995	28.8
385.14276	6.5
387.20157	20.0
389.13483	9.7
389.21857	22.3
417.10394	13.2
429.21265	95.0
430.21637	15.6
651.83563	6.3
773.23999	38.2
774.24603	7.2
815.77893	6.8
863.27185	48.3
864.27075	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	861.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01707	9.6
69.30143	21.1
71.01385	82.8
72.99306	4.4
73.02945	42.5
83.01394	12.5
85.02962	23.4
87.00862	7.5
89.02444	30.7
95.01386	6.2
98.19922	6.0
99.00867	8.0
101.02447	58.5
109.61344	3.1
113.01791	3.6
113.02454	34.8
119.03492	11.2
119.04966	3.1
125.02406	3.8
131.03488	5.5
131.41841	2.5
134.03714	2.6
135.04486	15.1
137.02440	5.3
137.09770	5.8
143.03499	8.6
143.05052	2.7
149.00888	8.5
149.04527	8.3
160.01689	3.5
161.02396	3.2
161.04552	28.7
163.03941	3.9
167.10635	2.7
168.00661	4.7
170.13058	2.9
175.03975	5.6
178.91240	2.7
179.03465	10.1
179.05533	6.0
179.10741	3.3
181.08690	8.9
189.12848	13.7
193.05045	3.0
203.05603	17.3
207.13858	8.1
221.06596	6.1
225.14946	9.1
231.02933	2.8
293.03171	3.1
311.04175	5.0
327.08615	2.9
369.19202	16.9
387.20224	91.3
388.20471	7.1
429.21243	100.0
429.27145	4.9
430.21497	15.1
473.16760	7.3
476.96368	2.6
506.36069	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	861.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01705	9.1
69.03450	2.6
71.01389	79.2
72.99326	5.0
73.02948	40.0
79.77720	1.6
83.01385	16.3
84.87984	2.2
85.02953	21.6
86.03330	2.1
86.43919	2.0
87.00875	7.4
89.02445	29.8
95.01398	6.6
99.00879	6.5
101.02453	58.5
101.71015	2.1
109.02947	3.9
112.98795	3.5
113.02451	37.1
119.03514	18.0
119.05032	2.7
123.04553	2.4
125.02439	5.4
131.03520	3.3
135.04553	11.2
137.02475	3.0
137.09708	4.8
138.05585	3.0
143.03499	7.7
149.00916	5.9
149.04539	7.7
159.03133	2.4
161.04561	29.8
161.09723	2.2
163.03958	3.7
163.07854	2.1
163.11403	2.1
168.00597	2.4
175.04015	5.3
177.02016	2.4
179.03372	6.8
179.05588	4.9
179.07094	2.2
181.08673	13.0
189.12900	10.7
203.05646	18.3
207.13904	6.1
221.06625	8.6
225.14963	10.6
293.03394	2.3
311.04144	3.1
327.08649	4.8
333.50653	2.0
369.19214	24.2
370.19186	3.2
371.20987	2.1
387.20230	75.9
388.20575	9.8
418.21609	2.1
429.21283	100.0
430.21475	11.4
437.07773	2.1
473.16525	4.2
492.91980	2.2
566.16876	2.7
720.06738	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	861.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	4.4
71.01380	3.2
87.00867	2.8
93.03454	3.0
96.95959	1.3
98.19857	3.3
101.02468	3.0
105.43085	1.0
108.02161	1.9
109.02964	3.3
111.00900	1.3
112.98820	3.4
113.02457	1.7
117.03487	1.7
119.05045	1.4
121.02985	5.6
122.03741	13.2
122.78773	1.3
123.04525	1.4
133.02953	3.0
134.03703	1.2
135.04532	9.4
136.01651	5.4
137.02472	8.0
145.02937	3.6
149.01036	2.4
149.02443	19.9
149.06088	1.2
150.03227	97.8
151.00336	5.4
151.03938	6.9
152.01108	2.2
153.01968	1.8
161.02400	1.9
163.04033	2.1
164.04834	3.3
165.01945	19.2
165.05566	100.0
166.02715	16.9
166.05898	3.6
167.03534	2.0
170.87587	1.0
175.03990	3.4
177.05673	1.6
179.03511	7.5
180.04277	14.4
181.05069	22.7
187.04102	1.6
195.06619	97.7
196.06987	4.1
205.05092	1.9
210.05368	1.3
217.55814	1.1
219.02966	1.7
220.07423	1.4
225.07677	9.9
229.52747	1.5
357.09586	2.0
387.14731	13.5
417.15564	29.0
418.16010	2.8
439.19260	1.3
565.20929	13.5
566.20862	1.6
583.21930	1.5
613.22894	26.6
614.22998	5.6
861.31335	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	861.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	3.8
71.01363	3.8
71.61838	1.1
71.62239	1.7
72.99310	1.8
83.01360	1.3
85.02945	1.9
87.00875	4.0
88.74187	1.0
89.02467	1.7
93.03468	5.6
93.04564	1.1
95.01350	1.6
96.54566	1.1
96.96011	1.7
99.00805	1.3
101.02427	1.8
103.00385	1.1
108.02178	1.8
109.02976	5.8
112.98819	5.2
113.02451	1.4
119.05015	3.7
121.02951	7.2
122.03754	14.0
123.00880	1.0
123.04446	1.2
124.01646	1.3
125.02387	1.0
132.02142	1.2
133.02928	4.6
134.03717	3.5
135.04524	18.1
136.01697	3.2
137.02444	17.0
139.04079	1.2
145.02943	2.6
148.01581	1.1
149.00966	3.4
149.02441	30.4
149.06084	1.4
150.03229	100.0
151.00380	6.5
151.03854	6.1
152.01114	3.4
152.04718	3.7
153.01897	1.9
154.06207	3.3
159.04414	2.1
161.02397	3.9
163.04070	1.7
164.04828	5.3
165.05571	91.8
166.02713	22.2
166.05911	5.8
167.03452	4.1
175.03966	2.6
177.01889	2.9
177.05544	3.6
177.08945	1.1
178.02666	1.7
179.03513	10.9
179.05669	0.9
179.07077	1.9
180.04283	7.8
181.05063	27.4
182.05330	1.4
187.03984	2.8
191.03471	2.7
192.04359	1.2
193.05057	4.5
195.06636	49.1
196.06935	2.9
205.05061	6.0
219.02873	2.6
220.07301	4.5
221.08038	1.1
223.06013	1.5
225.07675	1.7
273.36771	1.0
293.03076	2.4
310.08203	1.4
315.08762	1.3
329.10379	1.7
341.08704	2.1
369.13110	1.3
372.12177	1.6
387.10645	3.9
387.15195	4.8
402.13293	3.0
403.13788	3.0
416.14401	2.0
417.15530	46.6
418.15823	5.3
535.16132	2.0
550.18500	1.4
565.20795	62.7
566.21259	9.6
583.21454	2.7
595.21393	2.6
613.22913	44.1
614.23267	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	859.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01724	6.0
61.98821	4.9
62.82196	2.5
68.60294	2.4
69.38149	18.8
69.38571	4.8
71.01386	74.6
71.06203	2.1
71.37391	2.3
72.01735	2.2
72.99301	5.5
73.02947	43.4
75.00893	3.7
77.63461	2.8
83.01382	13.2
85.02952	21.1
87.00875	9.8
89.02445	36.4
93.03428	2.3
95.01373	6.6
97.02958	2.9
99.00883	4.6
101.02444	51.7
109.02990	6.6
112.98797	3.5
113.02457	33.1
119.03509	16.7
119.05022	7.2
123.04532	6.8
123.08148	8.7
125.02468	6.6
131.03522	5.9
133.02969	9.1
134.03712	4.2
135.04527	17.5
135.16794	2.7
136.04869	3.9
137.02454	4.8
137.09721	14.6
142.95831	2.7
143.03516	10.3
149.00935	10.4
149.02295	4.8
149.04552	10.1
151.00282	3.3
161.02467	25.5
161.04533	32.1
163.03987	4.8
163.11343	6.9
164.04851	2.6
165.01997	2.8
165.05551	2.9
167.03502	5.9
167.10838	5.2
175.04039	8.6
177.01973	3.7
179.03500	7.9
179.05605	12.6
189.12848	19.1
191.45053	2.5
193.04984	2.8
202.12642	2.5
203.03897	2.5
203.05585	12.6
207.13881	30.3
208.03786	7.6
208.14369	2.6
219.02873	2.5
221.06654	5.3
223.06175	17.5
224.06631	2.8
225.14954	22.3
265.07208	4.2
293.02884	2.9
319.08826	2.5
357.85059	3.0
369.19034	9.5
371.09583	3.3
385.18671	8.9
387.20221	11.4
388.20847	3.2
429.21265	100.0
430.21463	13.0
473.17249	5.3
475.14581	9.8
539.73907	2.8
637.20026	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	859.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	57.9
71.61668	14.1
78.95908	20.6
96.96042	11.8
116.92876	29.9
168.01241	12.2
171.10280	27.8
209.12024	11.7
235.08018	14.0
253.09311	44.7
255.02441	12.0
258.44501	13.9
260.28680	11.7
277.21814	70.2
309.20779	33.6
310.71246	12.1
327.21759	100.0
457.36746	13.2
545.29333	15.8
546.30206	15.7
562.85944	16.9
859.50439	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.65948	0.7
70.77882	1.7
70.78222	0.8
71.01387	12.1
72.99313	1.8
73.02963	1.6
74.00750	0.7
75.00877	4.2
80.92798	0.7
83.01379	1.4
85.02935	5.8
85.77866	0.7
87.00895	2.6
89.02448	6.1
95.01378	2.0
96.96016	1.4
99.00873	6.5
101.02439	5.6
109.02979	1.0
112.98808	3.8
113.02448	5.0
116.92860	1.4
134.03726	0.9
135.04507	1.8
144.71780	0.8
149.00841	0.8
150.03239	1.4
178.02646	0.8
179.03500	1.7
198.60910	0.8
355.25430	0.7
373.25851	1.9
390.11392	0.7
455.35196	1.3
795.45319	55.9
796.45862	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	852.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98545	0.2
80.96517	0.1
98.20641	0.3
166.38397	0.1
171.50412	0.1
182.55560	0.1
250.68434	0.1
310.56696	0.1
553.35260	0.1
579.85205	0.1
622.97693	0.1
853.48950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	8.1
69.03455	4.0
71.01377	8.9
73.02940	1.6
76.56277	1.2
78.95898	2.3
83.01373	1.2
83.05015	1.7
85.02955	8.3
87.00851	2.0
89.02435	6.6
95.01392	2.1
95.05071	2.3
97.02953	4.5
97.06586	3.6
98.20635	3.9
101.02447	10.5
111.08199	4.9
113.02501	3.4
114.15459	1.4
119.03507	1.5
125.09709	2.5
127.11309	2.1
137.09711	2.7
145.04987	1.2
161.04587	2.7
165.12849	3.0
169.12331	2.9
171.10275	22.7
179.05606	2.0
181.12360	1.6
183.13940	2.9
185.11769	1.5
197.11838	26.1
198.12177	1.6
199.13419	2.6
201.11403	1.5
206.03218	1.4
209.11787	3.8
211.13385	19.7
227.12869	3.0
229.14462	10.3
235.08231	12.7
247.20604	1.8
253.09268	41.0
254.09779	2.8
291.19644	33.2
291.86856	1.3
292.20074	3.8
293.21252	4.2
309.20721	97.1
310.21054	12.9
327.21750	100.0
328.22220	10.9
343.21228	3.6
376.47101	1.6
438.25293	1.4
545.29846	5.6
563.30597	7.2
564.30627	1.6
619.42279	6.3
735.79895	1.4
855.49963	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	8.6
69.03471	2.7
71.01383	100.0
71.61958	2.0
73.02949	11.2
80.02682	1.8
81.03462	7.6
83.01406	1.7
83.05027	7.6
85.02967	4.3
87.00892	2.0
89.02435	4.4
97.02966	12.7
97.06580	3.3
99.00870	2.9
99.08161	3.1
101.02455	4.5
106.04267	2.2
107.03722	1.8
107.04989	2.7
109.06593	72.8
110.03762	3.5
110.06936	4.1
115.07706	2.3
121.06544	3.8
125.09730	6.1
127.11239	4.2
131.04590	2.7
134.04745	11.2
135.08171	7.5
136.05322	4.3
137.09714	3.1
139.07550	2.3
142.02705	5.6
146.48645	1.7
155.10814	6.9
161.09746	3.0
163.11292	34.5
167.10843	2.0
171.10242	18.9
179.10741	2.3
181.08649	3.3
181.12302	21.0
185.11839	6.3
189.09248	2.5
197.11884	2.8
199.09769	41.7
200.10115	3.0
207.10258	87.6
208.10587	7.9
209.11935	10.4
215.12846	6.8
225.11320	37.2
226.11702	2.5
231.43988	2.4
240.70479	2.1
243.12297	3.3
253.09254	2.9
259.30286	2.2
277.21747	28.0
278.22083	3.8
285.24191	1.9
343.21143	3.2
373.86038	1.9
397.13605	4.8
597.24536	2.4
736.28027	1.8
857.45605	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	851.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.0
61.98819	2.2
63.54678	0.6
64.47742	0.7
65.27704	0.6
66.55791	0.6
69.28252	6.1
71.01373	3.1
73.65344	0.7
85.02969	0.9
87.00890	1.2
89.02422	1.0
96.95979	1.1
99.00919	0.9
101.02440	1.3
108.02181	1.1
109.02955	3.2
112.98820	2.7
119.03500	0.6
119.05036	0.7
121.02959	3.8
123.00871	1.5
123.04520	1.2
124.01678	4.7
125.02429	1.8
133.02998	1.6
134.03734	7.2
135.04546	6.1
136.01683	1.7
137.02431	2.7
138.03218	2.0
139.04018	2.5
146.03726	0.6
147.04517	2.7
147.08154	1.9
148.01694	0.5
148.05298	7.7
149.00978	1.5
149.02414	3.1
150.03227	30.0
151.04028	3.3
159.04515	1.1
160.05278	1.2
161.06061	0.8
162.03247	2.1
162.06726	0.6
163.03976	3.9
164.04774	1.0
165.05563	18.4
166.05884	1.0
173.06062	1.7
175.07635	2.3
177.05554	1.2
177.09198	22.9
178.09550	1.7
179.03429	1.0
187.07652	3.8
188.08435	2.6
189.09209	20.3
190.09619	1.8
193.27670	0.7
201.09187	1.6
203.10773	72.9
204.11130	4.2
215.10847	2.9
215.12541	0.6
217.12314	1.1
220.07585	0.8
220.14674	0.6
237.94968	0.6
253.04842	0.8
271.06134	4.0
286.08383	4.2
293.02979	0.7
297.07642	2.3
307.91101	0.6
323.12729	1.5
339.12378	1.7
340.13104	6.7
353.14087	0.9
355.15494	100.0
356.15897	11.4
365.19357	1.3
499.19516	3.4
517.20654	1.9
559.21838	77.3
560.22125	14.8
560.30475	1.3
669.35028	0.7
721.27014	1.3
763.28156	14.8
763.41266	1.2
764.28284	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	851.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.8
61.98827	3.6
67.44417	1.1
69.54956	5.4
71.01391	4.1
72.99301	1.8
73.02929	1.2
85.02964	2.2
87.00887	2.3
89.02439	1.3
95.01418	0.9
96.96019	3.4
101.02436	1.7
108.02181	1.2
109.02940	4.5
112.98806	5.4
113.02438	1.7
119.05074	1.6
121.02962	4.8
123.00917	1.2
123.04568	1.3
124.01679	3.6
125.02438	1.6
133.02965	2.2
134.03732	7.8
135.04520	8.0
136.01703	1.6
137.02440	3.7
138.03198	1.3
139.04002	3.9
147.04527	2.9
147.08171	1.5
147.22260	0.9
148.05310	8.1
149.00897	2.1
149.02455	3.9
150.03218	32.5
151.04033	5.3
159.04544	2.0
160.05330	2.5
161.02451	1.7
161.06131	1.2
162.03255	1.3
163.03999	3.4
164.04666	1.3
165.05557	18.2
173.06033	1.4
175.07634	3.1
177.05540	1.7
177.09215	20.5
179.03473	2.2
186.90776	0.9
187.07631	3.8
188.08446	2.4
189.09213	16.4
190.09529	1.1
201.09099	1.4
203.10771	70.2
204.11078	6.0
209.11803	1.1
211.04480	1.0
215.10799	2.1
247.50822	0.9
271.06152	4.7
286.08487	3.5
297.07758	1.4
323.12903	2.0
325.10748	1.0
339.12311	1.5
340.13217	7.4
341.13303	1.1
355.15497	100.0
356.15869	12.0
408.06076	1.0
482.85788	1.1
499.19647	3.2
517.20819	4.7
541.21643	1.2
559.21844	78.3
560.22235	14.6
601.23077	2.0
602.23993	1.2
703.25623	2.1
704.25031	1.0
721.26678	2.7
722.27612	1.1
757.74976	1.0
763.28381	10.9
764.28412	2.3
784.47662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
85.93563	0.3
98.19849	0.9
116.31739	0.3
148.99069	0.5
161.74380	0.3
179.42935	0.3
183.16052	0.3
188.57893	0.3
203.53671	0.3
245.29880	0.3
278.29529	0.3
380.91495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	15.3
61.98832	7.7
68.12106	1.0
69.03471	1.3
71.01379	9.6
72.99309	2.0
73.02949	3.0
79.69067	0.9
80.95906	0.9
84.61198	1.0
85.02969	2.8
87.00887	7.3
89.02469	3.4
93.03503	1.1
96.96026	4.1
99.00869	1.8
101.02461	3.0
107.05070	2.3
108.02196	2.3
109.02956	3.3
109.06609	1.8
112.98804	8.6
112.99343	0.8
113.02454	3.1
119.05033	3.3
121.02965	3.5
122.03732	4.0
123.00907	1.5
123.08142	1.3
124.01658	7.6
125.02463	1.7
133.02936	2.0
134.03760	10.0
135.04536	12.0
136.01653	3.4
136.04890	0.9
137.02480	4.5
138.03256	2.2
138.05605	1.1
139.04028	5.1
145.02994	2.1
147.04532	5.6
148.05330	5.8
149.01004	4.8
149.02451	4.3
149.06018	1.5
150.03229	47.0
151.03920	3.3
159.11789	2.0
161.02461	3.3
161.04565	1.1
161.06088	0.9
162.03244	3.6
163.04002	4.8
165.05563	34.5
166.05952	1.2
167.03484	1.0
173.06136	1.3
175.04037	1.4
177.05611	3.0
177.09215	31.5
178.09587	2.1
179.03491	3.5
188.08507	1.7
189.09216	27.5
190.09669	1.6
201.09322	1.3
201.11275	1.9
201.12970	1.1
202.06331	1.5
203.10777	88.8
204.11072	7.1
209.11774	2.3
215.10722	3.9
217.08755	1.1
219.03128	1.7
225.11346	1.8
253.08707	1.0
263.12927	1.9
271.06226	3.0
283.06326	1.5
293.03107	2.5
296.14160	1.4
297.07706	4.1
322.12109	1.2
323.12817	1.4
338.11441	1.5
339.12399	1.7
340.13287	6.7
353.14050	2.0
355.15509	95.4
356.15933	12.9
455.23578	1.1
499.19934	2.0
517.20654	3.0
559.21887	100.0
559.30341	4.0
560.22205	21.5
605.26343	1.2
645.33557	1.0
689.29663	1.1
696.83575	1.1
703.25623	1.4
719.31024	1.2
721.27008	3.4
722.26855	1.2
763.28131	21.5
764.28998	5.2
851.43134	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.5
61.98830	15.1
69.03427	2.4
71.01385	17.6
71.62220	2.4
72.99308	2.8
73.02927	3.5
78.95888	2.2
80.96489	4.9
83.01362	2.4
85.02932	3.8
87.00857	5.1
88.98794	2.2
89.02438	11.2
95.05032	2.9
97.02915	2.1
97.06581	13.3
101.02445	11.2
102.94158	1.9
113.02428	5.9
116.51508	1.8
116.92866	1.8
121.25218	1.7
123.08138	7.4
125.02424	3.5
125.09734	80.3
126.09995	3.2
160.25372	1.8
161.04495	2.3
187.09756	35.8
209.11797	4.3
221.06680	2.7
277.21667	27.8
395.33722	2.1
397.12979	5.0
845.45154	100.0
846.45526	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	847.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
59.72818	0.5
60.93526	0.5
61.98838	2.0
65.00343	0.6
67.01892	1.0
68.99833	0.5
69.31536	5.2
69.51048	0.5
71.01389	1.3
71.55771	0.4
72.99323	0.5
73.02945	0.6
85.02990	0.7
87.00865	1.2
93.03448	0.9
95.01380	0.5
95.05013	0.6
101.02448	1.1
107.05038	1.2
108.02219	1.1
109.02948	6.4
111.00842	0.8
112.78576	0.5
112.98828	2.3
113.02428	0.6
119.05057	1.3
121.02946	1.7
123.00906	2.2
123.04514	1.6
124.01661	0.9
125.02453	1.3
133.02998	0.8
135.04524	5.6
136.01688	1.8
137.02444	29.3
138.02850	1.7
139.03970	0.9
147.00783	0.6
147.04494	0.5
149.00916	1.1
149.02400	1.3
150.03210	2.4
150.99159	0.9
151.00375	12.2
151.03989	5.5
152.01178	3.6
152.04810	2.4
153.01857	0.7
153.05518	0.6
159.04515	1.0
161.02460	1.9
161.06143	0.7
162.03204	1.0
163.04031	1.6
164.01164	2.4
164.04712	1.0
165.01932	100.0
165.05548	3.9
166.02719	43.3
167.03455	3.8
175.03979	2.1
177.01927	2.9
177.05577	1.5
178.02667	1.8
179.03496	23.6
179.07095	0.9
180.04286	57.2
181.05067	47.3
182.05449	2.2
184.03728	0.8
187.04005	2.3
190.02736	1.2
190.06407	1.1
191.03535	1.5
192.04288	2.0
193.04970	2.6
194.05858	3.6
195.03061	2.9
195.06622	72.9
196.06975	4.3
202.06311	0.7
203.03497	1.0
204.04156	0.7
205.05093	5.4
206.05685	1.0
207.06630	2.2
210.05341	11.8
211.05904	1.1
220.07500	3.8
221.08229	0.6
225.07681	66.4
226.08014	4.3
235.06306	0.7
293.03122	1.3
315.11572	0.5
341.09897	0.7
343.11691	0.7
344.08426	0.6
345.09772	0.8
359.11343	2.1
372.12146	1.2
385.12869	0.8
386.13669	1.5
387.10110	6.2
387.15240	5.8
402.13235	3.6
403.13721	2.2
416.14880	3.9
417.15552	63.5
418.15866	9.0
544.41797	0.6
565.17883	2.2
580.19373	0.8
595.21826	56.8
596.22192	10.4
613.23285	1.0
625.22748	0.8
643.23956	23.3
644.24292	6.5
821.33600	0.7
848.22717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	24.1
61.98843	12.7
69.60757	13.2
71.01383	13.8
72.99302	2.6
73.02945	7.7
83.01402	3.6
83.05024	2.3
85.02942	5.4
87.00864	8.4
88.98815	2.4
89.02431	4.2
93.03458	5.5
96.96012	4.7
99.00870	4.9
99.04471	2.1
101.02441	8.0
103.00371	1.9
108.02185	4.8
109.02938	14.0
112.98813	21.6
113.02457	4.7
116.92873	5.4
119.04989	10.0
121.02954	8.0
122.03719	2.4
123.00862	3.9
123.04511	4.9
125.02406	2.5
130.99835	3.0
133.02934	4.2
134.03729	5.6
135.04527	20.3
136.00699	3.1
136.01678	49.1
137.02478	12.7
139.00455	2.5
139.04051	2.8
145.02982	3.8
149.00981	12.9
149.02107	2.4
149.06081	2.8
150.03223	4.3
151.00418	10.6
151.04024	64.8
152.01161	6.9
152.04449	2.1
153.01982	16.6
159.04503	3.0
161.02448	5.6
161.06021	2.9
163.03996	7.3
165.05579	4.3
166.02722	37.9
167.03526	14.2
168.56471	2.0
175.04005	3.8
177.05486	2.8
178.02841	2.5
179.03552	11.9
181.05074	52.6
189.05492	3.8
190.06442	2.8
191.03455	3.6
193.05128	3.0
199.31392	2.0
203.03450	4.4
205.05032	4.1
205.08659	2.3
219.02966	4.3
221.08182	4.2
225.04037	3.2
274.63971	2.1
277.03531	2.8
285.06290	5.3
293.03055	5.3
309.07315	2.0
327.08075	2.4
327.12057	2.2
336.22668	2.2
342.11032	6.9
357.09662	10.6
357.13446	32.8
358.13846	4.3
369.13681	2.3
371.14981	3.4
372.12299	11.9
387.14468	100.0
388.14783	13.3
471.11465	2.3
480.24597	2.5
489.76129	2.2
537.32666	2.6
551.21277	2.3
566.56927	2.1
567.21942	9.3
568.23029	2.3
597.23480	55.7
598.23688	13.2
638.57983	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	843.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	19.9
66.46633	8.4
70.41443	18.4
70.41836	15.4
71.01373	17.8
78.98637	8.4
79.95728	22.6
80.96522	100.0
94.98085	21.6
122.97609	12.4
164.98663	13.4
175.26022	8.7
181.20251	9.2
505.73608	9.4
803.06415	10.0
843.52612	84.2
844.53589	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	841.487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	68.0
66.88708	15.4
70.01517	87.4
78.95938	20.2
80.96536	44.6
89.78936	16.2
98.19952	22.4
107.37862	21.4
116.92841	26.8
126.38459	16.2
179.11739	18.6
196.89478	56.2
253.09488	21.1
277.21698	100.0
279.23346	46.7
291.19589	26.8
295.14966	19.6
309.20670	70.7
361.99304	19.3
393.23074	17.8
409.90552	19.7
464.67410	20.8
841.50708	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	841.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	24.7
71.01368	16.1
76.41013	12.2
78.98625	14.3
79.95733	15.8
80.96523	100.0
94.98061	23.9
114.14738	8.4
122.97540	16.0
164.98569	20.8
182.06850	9.7
225.00645	15.2
302.76077	9.4
372.01736	9.6
737.71130	15.0
758.02655	11.2
779.31866	10.3
797.17834	10.9
841.51324	90.4
842.51532	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.6
61.98831	100.0
62.98541	0.4
63.11973	0.3
68.07339	0.3
68.99812	0.8
71.01383	8.0
71.32129	0.4
71.32460	0.4
72.99317	0.9
73.02951	0.9
75.00871	4.4
80.96526	0.6
83.01402	0.9
83.02462	0.3
85.02946	3.5
87.00887	1.1
89.02454	3.8
95.01396	1.2
99.00880	4.0
101.02454	4.2
112.72682	0.3
113.02468	2.8
119.03498	1.0
157.01404	0.5
161.04541	0.4
209.11723	0.3
258.84219	0.3
282.50583	0.3
428.13626	0.3
439.35739	0.9
509.40146	0.9
526.01727	0.3
653.91467	0.4
779.45856	47.1
780.46167	13.6
843.53448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	24.4
65.15447	1.7
68.99835	2.2
69.03461	3.8
70.05989	1.4
71.01385	27.8
72.99314	8.0
73.02940	17.0
81.03454	3.1
83.01379	9.2
84.99326	4.1
85.02947	6.8
86.31908	1.6
87.00876	28.5
89.02451	5.3
95.01394	4.9
97.02965	15.0
99.00885	36.3
99.04533	7.4
101.02454	37.2
101.03096	1.3
103.00380	3.3
108.98056	1.8
109.03006	2.1
112.98820	60.0
113.02449	15.6
117.03448	1.9
119.05026	18.8
121.02969	5.0
123.04514	2.1
124.01656	2.6
125.02448	70.8
126.02724	3.4
130.99826	5.7
133.02908	4.8
135.04524	23.5
137.02426	4.5
143.03610	3.6
145.03011	6.7
147.04512	5.4
149.00928	27.6
152.01184	3.1
159.02975	2.4
159.04520	2.3
161.02431	9.0
161.04559	14.8
163.04024	12.0
175.03958	4.9
179.03502	28.6
191.03561	2.0
191.05589	3.1
203.03484	6.9
203.05449	3.4
219.03122	2.3
227.09373	2.0
277.03528	4.3
293.03067	6.8
293.08798	4.3
311.04013	15.0
367.10318	6.5
383.07855	2.0
401.10641	3.6
419.11935	100.0
420.12485	11.1
461.12988	43.2
462.13217	4.6
501.16315	13.3
503.13254	4.2
545.14777	3.0
563.16180	71.9
564.16467	11.5
621.20557	1.9
677.15662	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	841.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.4
61.98831	0.9
71.01369	2.6
73.02946	0.8
83.01406	0.9
85.02956	0.9
87.00840	1.8
98.19818	1.7
101.02432	1.1
107.01367	1.0
109.02979	1.4
112.98816	2.4
113.02428	0.8
119.05022	1.6
125.02433	0.9
133.02921	1.8
135.04520	6.8
137.02449	0.8
149.00914	0.8
151.00385	2.9
157.02853	0.8
161.02449	1.5
163.00389	1.2
163.03986	1.6
171.04529	1.2
173.02428	1.0
175.03978	1.4
177.01906	1.3
178.02518	0.8
179.03508	3.0
199.04016	4.8
201.01976	1.0
203.03514	1.3
215.03496	1.7
226.02716	2.2
227.03410	4.3
238.24625	0.8
243.02946	6.4
254.02168	2.2
255.02980	2.1
271.02463	69.9
272.02856	7.6
293.03085	0.9
299.01962	100.0
300.02670	39.3
301.03409	8.1
303.13074	0.8
314.04346	2.1
315.05099	18.8
316.05426	2.0
504.09204	1.0
519.11395	1.0
782.18964	1.8
797.21429	84.8
798.21844	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.8
59.01627	0.4
61.98829	3.3
69.03481	1.1
69.56889	0.5
70.18527	2.0
71.01388	6.7
71.01699	0.5
72.01739	0.5
73.02956	1.1
83.01402	0.7
83.05009	1.0
85.02937	6.2
87.00882	1.4
89.02436	5.0
95.05049	0.4
96.96021	0.8
97.02970	0.9
97.06589	3.2
101.02434	5.5
106.79916	0.4
111.08186	0.5
113.02467	2.5
113.83688	0.4
114.05611	0.5
119.03506	1.6
125.02484	0.5
125.09708	1.0
127.11279	1.5
137.09738	1.2
143.03464	0.8
145.05084	0.8
155.10779	1.3
161.04520	3.5
165.12788	0.6
167.10753	0.6
167.14453	0.6
171.10263	16.4
172.10648	0.6
177.12851	1.5
179.05547	0.9
179.14433	0.8
181.12239	0.5
181.94206	0.4
183.13882	2.9
185.11893	0.8
188.24132	0.4
193.12320	1.2
195.13895	7.5
196.14581	0.6
201.11336	0.7
207.05168	0.4
207.37329	0.5
209.11809	2.2
211.13397	15.1
212.13757	0.8
221.11836	2.4
223.13393	5.2
228.13622	0.9
229.14427	10.1
230.14870	0.7
235.08183	7.5
239.12848	2.4
247.20647	0.5
253.09280	33.7
254.09599	1.7
256.13193	1.3
275.20157	5.5
276.20544	0.5
291.19647	4.8
293.21222	100.0
294.21524	11.6
309.20697	7.7
310.21075	1.0
327.21738	75.9
328.22046	7.5
492.22449	0.6
529.29797	2.3
530.30676	0.8
545.29669	1.6
563.30725	6.5
564.31049	1.1
603.42511	4.8
604.43048	0.7
674.72144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.9
63.21471	0.8
64.57809	0.9
65.81688	0.8
67.31915	0.8
68.99816	3.4
69.03461	4.1
71.01385	25.7
72.99305	4.5
73.02946	14.1
75.00872	1.9
81.03456	1.3
83.01388	8.4
84.99314	4.4
85.02963	8.1
87.00381	1.4
87.00883	21.8
89.02456	6.1
95.01368	2.3
97.02955	13.0
98.19924	2.5
99.00886	28.8
99.04527	5.9
101.02447	31.0
103.00384	1.3
109.02902	1.2
111.00899	2.1
112.98814	62.3
113.02446	14.4
113.99122	1.5
117.03471	2.9
119.05026	25.2
120.05370	0.9
121.02955	1.5
125.02450	69.7
126.02745	3.3
129.80841	0.9
130.99821	1.5
131.03516	2.3
133.02893	0.9
135.04532	2.9
137.02406	1.1
139.04054	1.3
143.03506	4.3
143.04921	0.8
145.02937	8.6
147.04547	5.3
149.00876	2.6
149.02362	1.3
159.03038	1.1
161.02431	1.9
161.04549	13.8
161.06033	2.9
163.04016	10.2
167.03468	1.2
175.04044	5.1
179.03477	3.3
185.04617	0.8
189.05524	1.1
191.05630	3.8
198.03021	0.9
203.03474	9.0
203.05527	2.3
204.03911	1.1
215.03506	2.1
229.17505	0.8
271.08853	0.8
277.03485	8.0
287.07611	1.1
293.08713	3.2
298.72894	0.8
346.72577	0.8
389.25366	1.8
401.10849	3.2
419.11948	100.0
420.12253	10.8
461.13013	39.9
462.13184	4.9
481.98038	0.9
501.16208	8.1
502.16632	1.6
503.13974	4.4
545.15253	3.5
563.16180	50.7
564.16290	7.5
677.15479	2.7
695.15820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.392
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94859	1.2
59.01379	100.0
60.01702	2.1
61.98838	8.1
65.33100	1.1
68.99794	1.2
69.03450	3.6
69.46743	10.2
71.01386	50.8
72.99306	4.4
73.02955	14.2
81.03474	2.0
81.57756	1.3
82.31616	1.2
83.01387	11.8
85.02948	24.3
86.00094	1.8
87.00873	9.1
89.02447	10.3
90.95602	1.1
95.01384	5.7
96.96011	3.1
97.02947	7.2
99.00896	6.6
101.02442	30.4
111.00867	6.2
112.01665	3.5
112.98816	9.9
113.02463	25.3
115.04036	1.4
116.92848	1.8
119.03479	3.6
119.05021	4.1
120.81276	1.4
123.04439	1.3
124.01678	2.9
125.02454	15.9
134.03772	1.5
135.04498	7.6
137.02434	3.8
137.09779	1.4
141.01968	1.9
143.03532	7.2
143.04466	1.5
145.03004	2.0
147.04486	1.3
149.00928	3.2
149.02458	2.1
150.03241	3.1
161.02419	2.0
161.04547	5.3
163.03978	3.2
165.01923	4.8
165.05565	3.4
167.03491	2.6
171.10291	1.6
179.03506	4.4
180.04248	1.6
193.05019	1.2
195.06593	3.7
219.02972	1.5
225.07690	1.9
267.15765	1.5
293.03012	3.2
343.28522	2.1
449.20245	1.9
469.31302	2.1
487.32889	11.0
488.33325	1.8
505.33725	6.9
561.25806	2.1
583.35010	1.9
595.35626	1.8
613.35828	1.7
631.36975	57.9
632.37115	12.0
649.37982	77.6
650.38477	14.4
667.39014	20.5
668.39423	3.6
691.39026	18.8
692.39569	3.7
709.39960	21.3
710.40448	5.7
724.31793	1.4
751.41260	3.0
779.46063	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	839.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.88422	12.8
68.62325	13.3
71.61320	23.2
75.42811	12.7
78.95910	61.0
80.96510	38.4
89.55264	12.5
99.92595	14.5
103.71922	13.0
116.92867	38.6
126.83946	14.9
146.98770	14.5
157.32254	16.7
159.17403	13.9
196.89447	49.7
225.00710	27.3
277.21719	21.7
376.98123	15.0
593.16626	15.6
780.37830	17.2
839.47992	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	839.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
61.98819	1.8
63.96224	0.3
65.62089	0.3
67.01891	0.9
71.01387	1.5
72.99322	0.5
75.43331	0.4
78.95890	0.4
80.96531	1.1
83.05034	0.6
85.02968	0.7
85.06593	0.4
87.00890	0.6
89.02468	0.5
94.98090	0.7
96.96014	4.9
97.06598	1.2
99.00867	0.4
101.02436	0.9
111.08172	1.0
112.98799	0.8
113.02409	0.6
121.10243	6.4
122.10594	0.7
123.08195	1.1
125.09730	6.5
135.04533	1.0
137.09749	0.7
139.11327	0.4
141.12849	0.8
147.08115	0.8
161.04611	0.7
163.11299	0.5
167.14426	1.6
171.10257	3.3
185.11838	9.4
186.12245	0.5
195.13911	1.1
197.11816	2.2
209.11810	0.9
211.13399	56.5
212.13744	2.8
223.13469	1.0
225.15042	0.5
238.05374	0.4
240.80255	0.4
245.18982	0.5
247.13376	0.5
247.20578	1.1
253.09282	5.3
273.18558	1.2
275.20108	0.5
289.18048	1.6
290.18512	0.9
291.19659	100.0
292.20004	9.9
293.21219	10.1
294.21631	1.4
307.19077	0.9
308.19443	0.6
309.20700	18.5
310.21085	2.2
319.15909	0.3
736.19867	0.4
839.50012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.6
61.98539	0.6
61.98829	4.3
69.03440	0.8
71.01379	1.9
72.14682	0.5
73.02960	0.6
78.95891	1.2
83.01357	1.0
83.05010	0.9
85.02947	0.8
89.02464	1.2
95.01324	0.5
97.02979	0.9
97.06541	1.4
101.02435	1.8
104.78808	0.5
108.06871	0.6
109.06625	0.9
111.08132	1.8
113.02473	0.6
114.05630	3.5
119.08656	0.9
125.09689	2.5
127.07575	0.5
137.09711	2.1
151.11264	1.1
161.04520	0.6
163.11267	1.8
165.09247	0.5
165.12828	2.2
169.12311	0.9
171.10249	4.4
177.12863	0.9
181.12315	2.6
193.12383	0.8
197.11821	13.3
198.12184	0.6
207.10283	0.7
209.11765	3.6
211.13338	4.0
213.14940	1.6
220.14639	0.8
221.11742	0.8
227.12881	1.0
231.17502	1.1
235.08203	1.3
239.12859	1.3
244.12917	0.6
247.20630	1.0
253.09277	7.6
273.18573	3.7
277.21713	28.8
278.22037	3.3
291.19662	24.0
291.22437	0.6
292.19861	2.5
293.21259	2.1
294.21777	0.6
305.21262	2.1
307.18991	0.6
308.19937	1.8
309.20654	7.9
310.21100	0.8
323.22250	100.0
324.22549	8.5
325.20160	2.0
443.29660	0.5
478.48886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.90471	1.2
71.26129	0.3
78.95905	1.2
80.96530	0.6
152.99582	0.2
172.68941	0.3
179.89235	0.3
193.06311	0.2
196.89508	0.4
212.58075	0.2
279.38931	0.2
838.43939	0.6
839.50092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	2.0
59.01381	38.3
61.98840	6.5
69.26473	6.0
69.26898	4.7
71.01377	8.0
72.99306	16.0
73.02946	4.0
74.34201	0.9
83.01379	2.7
85.02954	3.5
85.71323	0.9
87.00880	13.9
88.61742	0.9
88.98792	1.1
89.02443	5.6
93.03460	2.7
96.00938	1.5
96.96006	2.3
97.02931	0.9
97.06558	0.8
98.20663	2.2
99.00886	2.5
99.04485	2.3
101.02431	3.9
103.00361	2.8
104.29987	0.9
109.02942	2.4
112.98804	13.7
113.02456	5.2
117.03462	1.5
119.05032	100.0
120.05336	4.0
121.02923	1.9
123.04492	1.1
125.02460	5.3
130.99846	2.6
131.03477	1.3
132.03011	2.5
133.02940	2.6
134.03738	2.2
135.04529	8.6
135.53073	1.0
137.02432	5.2
145.02943	6.4
147.04590	1.9
149.00906	10.1
149.06021	1.0
150.03171	2.4
151.03905	2.2
152.01138	1.5
161.02475	2.1
162.03152	1.7
163.04008	66.1
164.04372	3.6
165.01968	1.8
165.05507	3.5
175.04073	1.2
177.01927	1.8
179.03481	4.1
187.11201	1.0
188.07146	7.9
188.25034	0.9
189.07492	1.4
190.40460	0.8
191.03505	1.3
191.05322	1.0
193.05042	1.9
195.06549	1.9
205.05029	1.9
206.08208	1.7
219.03044	1.3
219.06567	1.0
219.95189	1.0
223.06151	1.1
223.13385	14.3
267.09726	0.9
267.12405	7.2
271.81937	1.2
293.02951	2.7
325.09146	2.3
383.11160	5.2
426.66870	1.0
439.12305	8.2
440.12561	1.7
457.13437	28.6
458.13766	3.6
483.29816	1.2
499.14682	16.5
500.14926	2.8
545.16577	3.5
561.25177	1.1
645.24286	1.1
663.27167	1.9
689.24268	3.6
707.25452	49.2
708.25848	10.4
795.33112	1.4
839.27032	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	837.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.6
61.98832	3.3
69.03468	2.5
71.01379	6.6
71.61851	0.9
73.02961	1.7
73.08035	0.7
78.95918	1.4
83.05020	1.8
85.02943	1.3
87.00873	1.5
89.02446	3.9
95.05055	1.0
97.02936	3.6
97.06590	2.0
101.02444	6.5
109.06592	4.5
111.08158	9.7
113.02482	2.4
119.03487	1.5
119.08681	1.3
122.81687	0.7
123.08128	0.8
125.09753	1.8
127.07667	1.9
137.09735	1.4
143.04774	0.8
151.11301	2.6
153.12865	1.6
161.04549	2.1
163.11246	1.6
165.12868	2.6
169.12303	4.8
171.10257	6.2
177.12785	0.9
179.05620	1.5
181.12369	4.7
183.13867	2.0
185.11716	0.9
193.12325	1.7
195.13974	1.3
197.11821	60.6
198.12175	4.0
199.13406	2.3
209.11775	2.0
211.13371	8.8
212.13773	1.1
213.14954	4.0
221.11768	0.9
223.13377	1.2
225.14957	1.8
227.12953	2.6
235.08250	3.0
237.14999	1.7
244.13089	1.0
247.20660	1.9
253.06622	1.3
253.09283	27.9
254.09706	1.1
263.20093	2.5
273.18558	4.7
275.20151	1.8
277.21701	33.0
277.24780	1.7
278.22061	2.0
291.19662	39.5
292.20090	3.8
293.21237	13.1
294.21515	2.1
295.22693	0.8
305.21164	3.3
309.20706	97.9
310.21063	11.3
323.22253	100.0
324.22620	10.5
325.20187	10.6
326.20587	2.0
433.20636	0.9
545.29834	1.9
601.40887	2.2
605.66681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.7
61.98836	36.2
71.01385	29.9
71.37624	1.6
72.99314	3.3
73.02942	6.9
75.00842	1.9
83.01404	3.0
85.02951	6.4
87.00867	7.1
89.02457	17.1
96.96011	9.7
97.02949	3.3
99.00885	4.9
101.02453	19.2
108.46186	1.8
109.02972	1.9
112.98804	9.2
113.02441	9.3
116.92902	8.0
119.03503	3.6
119.05022	3.2
123.04601	1.9
125.02441	4.1
133.02939	2.1
135.04529	7.9
137.02466	2.1
149.00835	3.1
160.21172	1.6
161.04573	3.1
163.04128	2.0
165.12842	11.6
179.03493	4.9
183.13916	100.0
184.14261	5.8
203.03644	1.7
209.11871	4.1
211.13399	3.9
219.13956	1.7
221.06676	3.5
225.11411	2.3
227.12888	7.6
228.13196	1.7
235.08148	4.2
263.12918	6.9
295.61047	1.6
397.13678	5.0
497.27664	2.7
541.29529	2.9
625.27399	3.7
657.24280	2.0
791.40375	6.2
817.38458	2.6
835.39758	75.6
836.39893	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	836.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
67.32849	0.1
70.72999	0.3
72.91181	0.1
73.52000	0.1
78.51077	0.1
78.95927	0.1
80.96535	0.1
86.70367	0.1
193.60626	0.1
240.96152	0.1
433.08722	0.1
773.33179	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	837.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.7
61.98831	100.0
62.98519	0.6
63.96232	2.1
63.99271	0.6
67.69901	0.6
69.03466	0.8
70.03271	2.7
71.01377	7.4
73.02931	1.6
78.98598	5.7
79.95740	14.4
80.96516	79.2
81.03429	0.7
81.18679	0.5
84.50466	0.6
85.02955	2.3
87.00866	3.2
91.89356	0.5
94.98085	19.4
96.96018	0.8
97.02959	1.8
101.02438	2.5
106.98090	3.9
122.97577	4.8
125.02451	2.0
134.97574	5.7
136.99138	1.5
148.99144	6.1
152.98657	6.3
164.98640	12.2
206.99701	2.3
225.00734	13.2
252.57988	0.6
277.21658	1.6
559.25793	2.3
837.48236	65.7
838.48584	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	833.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	13.5
61.98843	3.2
69.96521	3.2
70.38498	0.6
71.01405	1.3
78.95908	1.8
80.96507	1.2
89.02449	1.2
101.02467	1.2
113.02453	0.6
131.78540	0.7
152.89856	0.8
153.43318	0.6
159.25102	0.7
182.99713	0.7
253.09251	3.7
255.23257	0.8
275.20096	0.9
277.21725	100.0
278.22086	11.3
279.23367	1.1
442.19443	0.7
509.97903	0.8
513.30298	1.2
833.50970	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	831.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98817	1.0
62.96399	0.8
64.90738	0.4
70.83962	0.9
70.84293	0.5
71.01388	2.1
78.95904	85.1
78.98584	0.9
79.20290	0.5
79.95741	2.6
80.96518	8.9
81.95319	0.4
85.02961	0.5
90.32114	0.5
94.98072	2.0
96.96965	18.3
101.02407	0.4
109.46558	0.4
116.97307	0.7
122.97606	3.0
124.97112	0.6
125.02467	0.6
134.97578	0.8
134.98532	0.7
141.01765	0.8
148.99135	0.5
150.98033	0.5
152.99594	23.3
153.99945	0.6
164.98607	1.2
169.06900	0.6
182.99011	0.5
204.26057	0.4
206.99730	0.4
223.00133	7.5
225.00732	1.7
241.01178	36.2
242.01476	1.3
255.23286	60.6
256.23621	5.5
259.02164	3.6
267.17368	0.4
277.21707	38.9
278.22064	4.7
297.03729	1.7
315.04822	1.9
391.22516	8.5
392.22672	0.5
413.20990	1.4
553.27649	7.2
554.28094	1.0
571.28949	1.1
575.26178	1.3
831.50214	100.0
832.50543	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	831.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.6
61.98837	1.2
68.89951	0.4
69.29624	4.2
70.62102	0.4
71.01382	1.9
72.99316	0.8
73.02962	0.5
78.86476	0.4
81.03453	0.5
83.68173	0.4
85.02961	1.0
87.00895	1.5
89.02465	0.5
95.01398	0.8
101.02415	0.7
107.05009	0.5
109.02952	3.6
112.98828	1.5
119.05057	1.0
121.02975	1.2
123.00889	2.2
124.01659	2.0
125.02451	1.4
127.00343	0.4
133.02977	0.9
134.03740	0.4
135.04518	3.9
137.02443	11.3
138.03201	1.4
139.00369	1.5
139.03986	2.7
145.02997	0.7
149.00948	1.8
149.02434	1.4
150.03174	0.8
151.00375	22.9
151.03961	2.7
152.01176	2.7
152.04767	2.1
153.01917	1.1
153.05544	1.0
159.04529	1.2
160.05310	0.7
161.02431	1.1
162.03166	0.7
163.04039	1.4
164.04834	1.2
164.93675	0.4
165.01968	0.7
166.02713	76.1
167.03290	5.0
173.02414	1.0
173.06018	0.6
175.04031	2.2
176.01074	1.0
176.04768	1.3
177.01927	3.3
177.05583	1.4
179.03516	2.8
179.07089	1.0
181.05066	100.0
182.05394	5.6
184.03804	1.1
187.04030	2.2
188.04735	0.7
189.05540	0.8
190.02731	1.2
190.06360	1.9
191.03510	3.6
191.07074	0.5
192.04321	1.9
193.05046	1.4
195.02977	0.6
202.06433	0.5
203.03528	1.0
203.07100	0.7
204.04240	0.5
205.05074	5.4
205.08694	1.7
206.05769	2.4
207.06570	1.9
217.04912	0.7
218.05873	0.6
219.06563	1.2
220.07370	3.6
221.08171	5.8
227.12885	0.4
233.08177	0.8
235.06102	0.7
235.09770	0.9
293.03116	0.7
301.07062	0.5
327.05252	0.6
327.08691	0.8
329.10333	0.9
339.08789	1.9
341.10263	0.5
342.07523	0.7
354.11176	1.3
356.12610	0.6
357.09818	1.1
359.11285	2.4
372.12112	6.3
373.12756	1.2
384.11728	0.5
387.10663	12.3
387.14621	23.0
388.11020	1.3
388.15289	3.0
388.25574	0.5
399.14319	2.2
401.16010	1.3
402.13162	11.6
403.13452	2.5
417.15549	91.8
418.15897	12.4
431.17136	1.8
537.32825	0.5
539.28595	0.8
567.19452	0.5
597.23462	8.5
598.23871	1.7
609.23401	1.4
612.21619	0.5
627.24469	41.3
628.24854	8.3
699.36060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.0
68.99847	0.5
69.03479	1.1
70.24386	1.6
71.01385	3.7
72.45229	0.4
72.99320	1.4
73.02947	1.6
76.36478	0.3
79.01889	0.5
81.03475	1.0
83.01396	1.9
85.02951	2.0
87.00867	0.9
88.98795	0.6
89.02468	0.7
93.03455	0.8
95.01388	1.3
97.02956	3.5
99.00883	1.1
99.04525	1.9
101.02443	1.4
102.56812	0.5
108.02178	56.4
109.02987	18.0
110.03289	0.6
112.98856	0.7
113.02460	1.2
119.05070	0.6
121.02955	1.2
122.03747	0.5
123.00900	1.1
123.04529	0.8
125.02442	13.2
131.03540	0.5
133.02959	0.7
134.03731	0.6
135.04550	2.2
137.02466	0.7
147.92303	0.4
149.00912	1.0
149.02412	1.0
151.00345	0.7
151.04033	2.4
152.01155	100.0
153.01822	5.5
161.02486	0.6
161.04581	0.4
163.04004	3.6
165.01910	0.5
165.05617	0.8
166.02664	0.7
167.03436	0.8
175.03931	0.7
177.01964	0.8
179.03433	0.6
181.05165	0.4
195.06628	1.1
207.03081	0.6
221.04207	0.4
238.30191	0.4
241.07190	3.1
242.07715	0.5
275.09491	0.5
285.06183	1.4
327.08737	1.2
399.09286	14.0
400.09607	1.8
401.48343	0.4
417.10370	25.9
418.10648	2.4
431.12152	0.6
459.11453	14.4
460.11804	1.4
481.13556	1.1
499.14438	1.3
501.12802	2.0
525.12488	1.6
561.14655	1.0
705.19037	1.6
796.83569	0.5
831.21985	30.1
832.22394	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	829.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.3
59.01381	16.4
59.48927	0.4
60.99307	0.6
61.98832	1.3
64.67258	0.4
69.03458	1.5
71.01386	18.1
71.20021	0.4
72.99313	1.7
73.02944	2.6
77.48343	0.4
78.95901	0.6
80.92916	0.4
81.03463	0.9
83.01383	2.7
85.02957	5.1
87.00880	5.3
88.98828	1.5
89.02446	14.8
89.02992	0.8
90.02781	0.4
93.55974	0.4
95.01398	1.5
97.02954	3.4
99.00874	0.8
99.08174	0.4
101.02444	13.9
109.02929	0.3
111.00928	0.5
111.04602	0.6
113.02446	8.9
119.03516	4.1
125.02449	8.5
125.09715	0.8
127.04076	0.4
127.11266	2.3
131.03488	0.7
133.05046	0.4
139.04016	0.8
143.03503	2.9
151.03976	0.4
157.13898	0.3
161.04576	4.0
167.03598	0.5
171.10277	100.0
172.10625	5.8
179.03448	0.4
179.03952	0.4
179.05597	4.0
199.06090	0.8
206.79721	0.3
213.11304	0.5
217.07249	1.1
221.06638	1.4
229.56328	0.5
235.08240	6.3
253.09380	0.7
259.08136	0.5
263.07855	0.6
275.20413	0.5
277.21719	66.7
278.22076	6.1
287.07721	3.0
291.23001	0.4
305.08844	2.1
323.09848	0.8
335.44962	0.4
361.11423	0.5
379.12473	9.0
380.12827	1.2
397.13495	40.4
398.13754	3.7
415.14542	8.7
416.15076	0.8
416.85800	0.4
474.06287	0.4
551.23303	1.0
569.24457	1.0
675.35156	0.6
745.61841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.3
59.01379	15.8
61.98842	1.2
68.99817	0.2
69.03461	1.0
69.67325	1.5
71.01382	16.3
72.01746	0.3
72.99310	1.7
73.02945	2.7
75.00882	0.5
81.03468	1.0
83.01389	2.0
83.05011	0.3
85.02948	4.1
86.00077	0.3
87.00876	5.3
87.04498	0.3
88.98809	0.8
89.02443	13.3
91.04027	0.4
95.01395	1.1
97.02951	3.0
99.00883	0.9
99.04514	0.3
101.02444	12.6
109.00589	0.2
109.02929	0.4
111.00893	0.4
111.04508	0.6
113.02450	7.6
115.03999	0.5
119.03493	3.4
123.00912	0.4
123.08208	0.4
125.02444	7.6
125.09737	1.1
127.03960	0.3
127.11304	2.5
131.03493	0.7
133.05049	0.4
139.03986	0.4
141.01932	0.3
142.69962	0.2
143.03506	2.6
145.05104	0.3
149.04558	0.3
153.09186	0.5
161.04552	3.6
167.03479	0.5
171.10265	100.0
172.10617	5.0
179.03387	0.3
179.03963	0.3
179.05598	3.8
181.05110	0.3
185.04498	0.3
199.06082	0.9
203.05595	0.2
209.11827	0.2
212.77563	0.2
213.11311	0.8
217.07179	0.8
221.06630	1.4
234.89503	0.2
235.08224	5.4
236.08784	0.2
245.06668	0.5
249.41393	0.3
253.09264	0.7
259.08252	0.8
263.07709	0.2
277.21713	54.6
278.22083	6.4
287.07730	1.9
301.09058	0.3
305.08734	2.3
319.22598	0.3
323.09787	0.9
361.11508	0.3
379.12430	10.3
380.12735	0.8
397.13486	35.1
398.13849	3.0
415.14554	8.1
416.14951	0.7
551.15735	0.2
551.23297	1.4
552.23260	0.3
569.24591	1.5
675.36060	0.6
716.12610	0.2
761.96240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	2.1
59.01382	34.8
61.88680	1.1
61.98829	9.0
68.99796	1.8
69.03453	1.4
69.28637	13.0
71.01381	17.4
72.99323	8.5
73.02951	6.3
75.98204	1.3
83.01385	3.5
84.99296	3.5
85.02953	7.6
87.00880	30.7
88.98852	2.1
89.02447	8.3
93.03465	4.3
95.01377	1.6
96.95960	2.5
98.19772	2.2
98.38585	1.4
99.00883	4.7
101.02441	10.6
101.96458	1.3
103.00408	2.4
107.05031	2.3
108.02178	2.5
109.02986	8.5
111.00840	1.9
111.08073	1.2
112.98814	42.7
113.02438	8.0
116.92870	1.3
117.03452	1.3
119.03529	2.2
119.05041	14.9
121.02902	3.5
123.04520	2.6
125.02425	3.9
125.09722	3.0
127.00369	7.6
127.11305	1.5
130.99834	5.5
133.02948	7.3
134.03769	6.5
135.04530	89.3
136.04863	4.1
137.02484	14.4
137.03513	2.0
137.09715	2.4
139.00385	4.3
145.02972	6.0
147.04515	3.7
149.00896	12.5
149.02432	2.6
149.04594	1.8
149.06070	3.2
150.03181	4.8
151.00407	2.9
151.04008	1.4
152.01140	2.8
152.07144	2.5
153.01945	2.8
155.10744	1.6
159.04509	2.2
161.02441	19.3
161.04523	3.0
161.05972	2.1
162.02933	1.6
163.03999	17.2
165.05530	3.6
169.12363	1.4
171.10295	6.6
173.02373	1.7
175.03970	4.2
177.01904	2.6
177.05540	4.9
179.03499	48.6
180.03854	4.0
181.05014	1.8
187.04024	2.9
191.03516	6.9
193.05045	2.3
195.06596	2.6
197.11647	1.4
202.04968	1.2
203.03488	3.6
205.05046	2.3
215.12840	2.5
219.02979	27.7
220.03413	2.9
221.04457	2.9
227.12830	1.8
231.02882	4.6
232.03442	1.4
241.10817	2.2
275.01996	2.5
277.03506	4.8
285.04114	1.7
293.03018	55.6
294.03366	4.5
303.21701	3.5
355.24902	8.7
373.14325	3.0
373.25934	36.7
374.26129	4.1
465.27322	3.3
507.28107	8.2
508.28537	1.9
517.30133	7.8
518.30719	2.9
535.31238	100.0
536.31561	20.3
561.25507	2.5
577.31561	2.0
649.30670	5.2
658.35254	1.5
667.31763	54.1
668.32184	11.6
697.34717	7.1
698.34961	2.0
785.36615	2.4
829.33325	2.4
830.36487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	2.1
59.01380	41.0
61.98832	15.1
71.01384	17.0
72.94556	1.4
72.99326	6.3
73.02943	5.6
75.00873	1.8
81.93336	1.2
83.01379	3.3
84.99289	1.1
85.02937	6.9
87.00873	28.3
88.98799	8.3
89.02452	3.7
93.03443	7.8
95.01355	1.4
96.96007	3.5
99.00874	2.9
101.02449	8.6
103.00348	2.7
107.04998	1.4
108.02149	2.3
109.02935	5.4
111.00849	2.1
112.98817	33.0
113.02437	5.8
116.92848	1.4
117.03468	2.1
119.03516	1.7
119.05042	7.6
121.02933	7.4
123.04491	2.4
124.00760	1.3
124.01686	3.2
125.02424	2.4
127.00374	6.5
130.99849	4.6
133.02945	7.1
134.03732	5.6
135.04521	63.9
136.04837	3.8
137.02443	15.4
139.00354	3.3
143.03510	1.4
145.02960	3.0
147.04510	4.2
149.00887	10.2
149.02092	1.6
149.04567	1.4
149.06032	2.4
150.03171	1.3
151.04007	2.2
152.01183	3.0
159.04468	2.0
160.01619	2.6
161.02431	17.0
161.04510	2.8
161.05923	1.5
163.03999	13.6
165.05530	1.8
167.03543	1.5
174.01752	1.7
175.03995	3.4
175.07645	1.7
177.01921	3.0
177.05598	1.3
179.03484	35.5
180.03857	2.9
181.04976	1.3
191.03467	5.0
203.03453	1.8
205.05026	2.4
209.04515	1.8
219.02998	22.3
220.03276	1.9
221.04440	1.9
231.02901	5.1
243.10034	1.2
255.01149	1.3
268.03793	1.4
269.21161	2.7
275.01840	1.5
287.22278	18.8
288.22446	2.0
293.03040	41.1
294.03296	2.8
341.08621	1.7
365.06281	1.3
373.26056	1.3
431.26505	12.4
432.26645	3.2
449.27579	28.5
449.33838	1.9
450.27832	4.1
473.27554	4.1
491.28598	100.0
492.29022	13.8
517.29950	1.7
535.31573	6.6
554.71613	1.4
565.20990	2.2
581.27313	1.6
623.29047	21.8
624.29614	4.4
667.28302	4.6
721.86707	1.4
829.32880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	2.1
59.01382	34.8
61.88680	1.1
61.98829	9.0
68.99796	1.8
69.03453	1.4
69.28637	13.0
71.01381	17.4
72.99323	8.5
73.02951	6.3
75.98204	1.3
83.01385	3.5
84.99296	3.5
85.02953	7.6
87.00880	30.7
88.98852	2.1
89.02447	8.3
93.03465	4.3
95.01377	1.6
96.95960	2.5
98.19772	2.2
98.38585	1.4
99.00883	4.7
101.02441	10.6
101.96458	1.3
103.00408	2.4
107.05031	2.3
108.02178	2.5
109.02986	8.5
111.00840	1.9
111.08073	1.2
112.98814	42.7
113.02438	8.0
116.92870	1.3
117.03452	1.3
119.03529	2.2
119.05041	14.9
121.02902	3.5
123.04520	2.6
125.02425	3.9
125.09722	3.0
127.00369	7.6
127.11305	1.5
130.99834	5.5
133.02948	7.3
134.03769	6.5
135.04530	89.3
136.04863	4.1
137.02484	14.4
137.03513	2.0
137.09715	2.4
139.00385	4.3
145.02972	6.0
147.04515	3.7
149.00896	12.5
149.02432	2.6
149.04594	1.8
149.06070	3.2
150.03181	4.8
151.00407	2.9
151.04008	1.4
152.01140	2.8
152.07144	2.5
153.01945	2.8
155.10744	1.6
159.04509	2.2
161.02441	19.3
161.04523	3.0
161.05972	2.1
162.02933	1.6
163.03999	17.2
165.05530	3.6
169.12363	1.4
171.10295	6.6
173.02373	1.7
175.03970	4.2
177.01904	2.6
177.05540	4.9
179.03499	48.6
180.03854	4.0
181.05014	1.8
187.04024	2.9
191.03516	6.9
193.05045	2.3
195.06596	2.6
197.11647	1.4
202.04968	1.2
203.03488	3.6
205.05046	2.3
215.12840	2.5
219.02979	27.7
220.03413	2.9
221.04457	2.9
227.12830	1.8
231.02882	4.6
232.03442	1.4
241.10817	2.2
275.01996	2.5
277.03506	4.8
285.04114	1.7
293.03018	55.6
294.03366	4.5
303.21701	3.5
355.24902	8.7
373.14325	3.0
373.25934	36.7
374.26129	4.1
465.27322	3.3
507.28107	8.2
508.28537	1.9
517.30133	7.8
518.30719	2.9
535.31238	100.0
536.31561	20.3
561.25507	2.5
577.31561	2.0
649.30670	5.2
658.35254	1.5
667.31763	54.1
668.32184	11.6
697.34717	7.1
698.34961	2.0
785.36615	2.4
829.33325	2.4
830.36487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	2.1
59.01380	41.0
61.98832	15.1
71.01384	17.0
72.94556	1.4
72.99326	6.3
73.02943	5.6
75.00873	1.8
81.93336	1.2
83.01379	3.3
84.99289	1.1
85.02937	6.9
87.00873	28.3
88.98799	8.3
89.02452	3.7
93.03443	7.8
95.01355	1.4
96.96007	3.5
99.00874	2.9
101.02449	8.6
103.00348	2.7
107.04998	1.4
108.02149	2.3
109.02935	5.4
111.00849	2.1
112.98817	33.0
113.02437	5.8
116.92848	1.4
117.03468	2.1
119.03516	1.7
119.05042	7.6
121.02933	7.4
123.04491	2.4
124.00760	1.3
124.01686	3.2
125.02424	2.4
127.00374	6.5
130.99849	4.6
133.02945	7.1
134.03732	5.6
135.04521	63.9
136.04837	3.8
137.02443	15.4
139.00354	3.3
143.03510	1.4
145.02960	3.0
147.04510	4.2
149.00887	10.2
149.02092	1.6
149.04567	1.4
149.06032	2.4
150.03171	1.3
151.04007	2.2
152.01183	3.0
159.04468	2.0
160.01619	2.6
161.02431	17.0
161.04510	2.8
161.05923	1.5
163.03999	13.6
165.05530	1.8
167.03543	1.5
174.01752	1.7
175.03995	3.4
175.07645	1.7
177.01921	3.0
177.05598	1.3
179.03484	35.5
180.03857	2.9
181.04976	1.3
191.03467	5.0
203.03453	1.8
205.05026	2.4
209.04515	1.8
219.02998	22.3
220.03276	1.9
221.04440	1.9
231.02901	5.1
243.10034	1.2
255.01149	1.3
268.03793	1.4
269.21161	2.7
275.01840	1.5
287.22278	18.8
288.22446	2.0
293.03040	41.1
294.03296	2.8
341.08621	1.7
365.06281	1.3
373.26056	1.3
431.26505	12.4
432.26645	3.2
449.27579	28.5
449.33838	1.9
450.27832	4.1
473.27554	4.1
491.28598	100.0
492.29022	13.8
517.29950	1.7
535.31573	6.6
554.71613	1.4
565.20990	2.2
581.27313	1.6
623.29047	21.8
624.29614	4.4
667.28302	4.6
721.86707	1.4
829.32880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.0
61.98818	4.0
63.96232	2.0
70.19112	2.0
70.19503	2.4
71.01392	9.1
73.02947	2.2
78.95907	3.2
78.98597	9.4
79.95740	20.5
80.96520	100.0
82.96084	1.2
85.02972	5.6
87.00885	3.2
90.31998	1.1
94.98096	23.8
96.67322	1.0
96.96025	1.8
97.02928	1.9
101.02444	2.5
106.98083	3.5
122.97585	5.4
125.02423	4.1
127.04047	1.1
134.97603	8.3
141.48088	1.0
148.99142	8.3
152.98598	7.7
164.98628	15.7
171.10237	2.3
196.89436	3.2
201.46817	1.0
203.34991	1.1
206.99678	4.1
225.00739	28.8
277.21716	2.0
283.26566	1.6
293.21378	1.3
369.16187	1.2
443.46426	1.1
453.14285	2.6
737.41583	68.4
738.41760	16.4
809.43683	14.1
810.43494	2.4
827.44604	30.0
828.45105	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	829.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01726	1.0
61.98822	0.7
71.01381	6.3
72.99282	0.5
73.02952	2.8
75.11973	0.5
83.01412	1.3
85.02962	2.9
87.00897	1.1
89.02455	1.8
99.00882	0.5
99.04553	1.9
101.02435	5.4
106.04224	0.4
107.05077	0.6
108.02192	0.8
109.02966	2.4
112.98792	1.0
113.02448	2.7
117.03507	0.6
119.03523	0.7
119.05051	0.7
121.02948	4.7
122.03735	3.5
123.04536	1.0
123.08150	0.9
124.01640	0.8
125.02471	2.0
131.03564	0.7
133.03009	0.8
134.03752	8.1
135.04561	2.9
137.02467	1.1
139.76790	0.5
143.03548	0.6
147.04533	1.9
149.00949	2.0
149.06088	1.2
152.01146	0.7
153.02052	0.7
154.02730	0.6
160.01678	0.6
161.02477	2.5
161.04538	2.9
161.05867	0.5
163.04066	0.5
163.11240	0.7
165.05554	8.1
165.06816	0.6
167.03529	0.9
175.04047	1.2
179.03532	1.5
179.05768	0.8
179.07202	2.4
189.12903	2.3
193.05028	9.9
194.05424	0.6
203.05737	0.7
207.13878	2.7
209.47942	0.5
223.06186	0.6
225.14972	0.7
243.15361	0.5
261.35385	0.5
269.10312	3.4
285.04053	1.2
298.12317	0.5
311.11310	4.1
315.12381	0.9
346.14157	2.7
347.14883	0.8
355.10172	3.8
361.16559	48.1
362.16864	6.2
369.19034	0.6
387.20444	0.6
417.16412	0.5
429.21494	1.8
445.13660	1.6
473.16879	1.1
476.50107	0.5
491.11371	0.7
505.20889	0.7
523.21973	9.8
523.29510	0.8
524.22552	1.4
565.22980	3.2
566.23584	0.9
605.26788	0.7
829.31604	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	827.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	38.0
60.01700	0.5
61.98842	1.0
65.04671	0.5
67.97694	0.4
69.27477	3.9
69.27887	1.4
71.01383	17.5
72.99301	1.1
73.02950	8.1
83.01381	2.4
83.05035	0.9
85.02950	4.9
87.00883	2.3
88.46645	0.4
89.02444	9.5
93.03461	1.4
95.01402	1.4
97.02959	0.9
98.19843	1.1
99.00882	9.6
101.02440	10.3
106.04240	0.8
107.05023	4.0
108.02190	2.1
109.02958	1.4
112.98815	1.3
113.02448	8.1
116.92899	0.6
117.03468	21.6
118.03811	0.7
119.03503	2.2
119.05003	1.0
121.02940	1.1
123.08168	7.9
125.02426	1.8
131.03473	1.6
131.05006	2.6
133.02956	0.7
133.06613	5.0
134.03735	1.1
135.04532	4.8
137.02435	2.2
137.09737	0.9
142.24300	0.5
143.03491	2.3
145.02922	0.8
149.00885	0.7
149.04573	3.3
149.06023	3.9
150.03346	0.5
152.01164	1.7
153.01962	0.5
157.03748	0.5
158.03717	0.9
159.03195	0.8
159.04509	16.3
160.01691	0.6
160.04826	0.8
160.31659	0.6
161.04561	3.4
163.04034	0.6
163.11299	8.1
165.02000	0.8
166.58107	0.5
175.03944	0.7
177.01920	0.9
177.05573	8.0
179.02057	0.9
179.03510	13.4
179.05244	1.0
179.05605	0.8
180.03894	0.8
189.12819	4.6
191.05574	2.7
191.89259	0.5
193.05055	0.6
195.06566	0.8
203.03505	21.8
203.05505	1.2
204.03818	1.6
207.13890	7.2
221.04532	6.9
222.04936	0.7
225.15039	0.7
233.06677	1.1
239.05592	2.2
293.02823	0.6
293.08701	0.6
387.20166	1.2
429.21283	1.5
435.47052	0.6
501.23364	2.3
519.24457	13.9
520.24768	1.3
561.25500	100.0
562.25824	18.5
579.24335	0.7
684.37042	0.6
698.40027	0.7
741.29706	1.1
783.30518	3.5
784.31128	1.5
827.29791	1.6
828.29626	0.8
837.30737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78954	3.9
59.62026	3.9
61.98827	21.0
64.37868	4.1
71.01386	11.8
71.24918	8.0
78.95905	35.3
78.98605	8.0
79.29636	3.8
79.95741	28.8
80.96516	96.8
85.02946	6.8
94.98063	22.8
96.96945	5.1
97.02934	6.0
122.97583	4.5
125.02471	7.3
134.97588	9.0
138.90955	4.3
148.99228	7.2
152.98605	10.0
153.56378	4.2
155.97821	3.7
164.98611	20.9
171.10222	4.4
181.12314	4.2
196.89478	14.8
207.10292	7.9
213.19069	4.4
225.00714	27.6
225.11308	4.9
277.21756	13.1
279.44589	3.6
283.26508	4.7
293.21405	10.3
381.80237	4.4
766.03748	4.6
807.42065	34.0
808.42145	6.7
825.43604	100.0
826.44049	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	827.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
67.25591	0.4
69.37691	3.7
71.01368	0.9
72.99334	0.6
74.02472	0.5
85.02940	0.6
87.00878	1.1
87.60525	0.4
109.02940	2.1
111.00858	0.5
113.02466	0.7
119.05035	0.4
121.02908	0.6
123.00867	1.2
125.02432	0.8
135.04520	1.0
137.02437	6.9
139.04004	0.6
141.08507	0.4
145.02924	0.8
149.00909	2.5
149.02258	0.5
151.00377	10.3
151.04051	0.9
152.00940	0.7
152.04770	1.3
161.02431	0.9
163.03952	0.7
166.02710	40.4
167.03186	3.1
175.04045	0.8
177.01929	2.3
179.03499	1.1
181.05063	62.0
182.05397	3.7
184.03792	0.7
187.04031	0.4
189.05586	0.4
190.06282	1.2
191.03532	0.5
193.05032	0.7
195.02879	0.4
205.08672	0.9
206.44548	0.4
207.06609	0.6
225.36392	0.4
245.09219	1.2
283.06052	0.5
286.40302	0.6
357.09903	1.1
359.11392	0.9
371.14728	0.5
387.10770	8.2
387.15369	0.7
388.10962	1.1
401.08295	0.5
402.13074	7.6
403.13550	1.4
416.21698	0.4
417.15527	100.0
418.15829	13.4
431.05359	0.5
443.15656	1.1
512.80621	0.4
553.54498	0.5
561.01068	0.4
561.19751	1.1
639.65247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	3.7
63.96236	2.5
66.12936	1.1
69.03482	1.4
71.01385	9.5
71.66355	1.0
73.02950	2.0
78.95899	4.2
78.98598	7.5
79.95744	17.4
80.96516	100.0
81.61094	1.0
85.02934	3.8
87.00877	3.6
94.97534	1.9
94.98089	20.8
96.96019	1.9
97.02961	1.6
99.00920	1.4
101.02454	2.4
106.98058	4.8
116.59262	1.0
122.97564	6.3
125.02437	3.7
134.97601	7.5
136.99144	1.6
148.99144	8.1
152.98602	8.5
158.54146	1.0
164.98631	14.1
196.89461	3.1
206.99675	3.2
225.00723	22.4
226.01195	1.7
251.89919	1.3
283.26340	1.5
541.19739	2.2
807.42401	8.1
808.42627	1.4
825.46490	81.0
826.46692	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	825.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.9
59.01378	29.8
64.51114	0.3
70.20547	1.2
71.01380	19.7
71.22887	0.3
72.01727	0.4
72.99307	2.2
83.01392	0.9
85.02946	3.8
87.00883	1.2
89.02442	22.9
95.01387	1.3
96.95997	2.9
99.00872	0.7
99.08161	0.4
101.02444	13.5
109.02940	1.5
113.02450	7.9
119.03495	9.8
125.02447	0.6
131.03522	0.7
133.02954	0.6
135.04510	1.1
143.03514	0.9
147.04532	1.8
148.05261	0.7
149.06030	3.5
161.04713	0.5
161.06087	1.9
161.08221	0.5
163.03967	0.5
165.05545	0.5
173.06078	0.4
175.03979	1.6
176.04755	0.7
177.01944	0.5
179.03622	0.4
179.05646	0.9
188.95825	0.4
189.05547	2.8
191.07132	1.3
193.05052	0.9
203.07172	0.5
205.05017	1.2
205.65494	0.4
217.05016	3.2
219.02873	1.2
221.04460	0.7
235.06113	2.0
237.04068	1.7
251.09210	0.4
254.57581	0.4
277.07178	0.4
279.05115	1.3
283.80933	0.4
295.08221	1.4
323.13452	100.0
324.13794	7.7
339.07208	15.8
339.10614	0.3
340.07629	1.6
501.12424	8.2
502.12790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.6
58.25278	0.4
59.01373	6.2
61.98829	2.4
69.03449	1.9
69.32672	0.4
71.00992	0.5
71.01383	7.6
71.63342	0.5
72.99290	0.6
73.02942	1.9
78.95892	0.4
79.95734	0.6
80.96516	1.7
83.01382	1.3
83.05026	0.7
84.02188	0.4
85.02958	9.0
86.00106	0.5
87.00874	2.5
89.02444	4.1
95.01376	0.9
95.05024	0.5
96.96013	0.7
97.02959	1.8
97.06589	1.4
99.00892	0.5
99.04541	0.5
101.02443	7.2
102.40434	0.5
103.03992	0.5
111.04527	0.4
113.02452	3.4
115.03973	0.6
116.92833	0.6
119.03491	1.7
125.02450	0.5
125.09723	1.2
127.11293	1.0
127.91977	0.4
133.05101	1.1
135.31128	0.4
137.09756	2.3
142.05032	0.4
143.03554	0.6
145.05042	1.6
155.10753	0.7
157.05092	0.8
161.04558	4.2
165.12917	0.4
166.46808	0.4
169.05043	0.5
171.10272	20.6
172.10567	1.2
179.05608	1.0
183.13881	3.4
193.12317	0.5
195.13928	0.8
197.11798	1.3
201.11325	0.8
206.79405	0.5
209.11893	0.8
211.13380	8.0
221.11789	1.1
222.76486	0.4
223.13416	0.6
229.14426	3.8
235.08228	17.0
236.08612	0.9
239.12730	0.6
253.09277	24.9
254.09601	1.5
275.20078	0.6
277.21713	100.0
278.22070	10.9
291.19650	3.9
292.20166	0.9
293.21210	4.0
295.22806	3.6
309.20691	12.7
310.21027	1.7
311.22244	3.5
312.22488	0.7
324.46484	0.4
327.21753	67.7
328.22144	6.3
513.30627	0.8
545.29535	2.1
563.30823	1.9
578.18237	0.5
587.42920	2.1
733.38129	1.4
765.92096	0.4
823.40759	0.5
824.47382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
61.98819	1.0
67.25393	0.5
69.03447	1.2
71.01405	3.4
71.04993	0.6
71.61890	0.6
80.02673	0.6
81.03448	0.8
81.22705	0.5
83.05033	2.4
93.03465	0.9
95.05035	3.0
97.06585	1.8
109.06574	0.9
111.08168	17.7
112.08434	0.6
113.09734	3.4
125.09708	0.5
135.11758	0.6
137.09746	1.3
139.11252	1.3
141.09238	1.0
147.11913	0.6
149.09705	1.3
151.07620	0.8
151.11284	8.2
152.11639	0.8
163.11296	1.6
165.12862	9.0
166.13237	0.7
167.10802	4.2
175.87489	0.5
177.12819	2.8
179.10771	5.8
179.14386	1.1
181.12340	9.4
182.12596	0.7
182.35988	0.5
191.10797	6.2
195.13904	10.8
197.11850	1.3
209.11841	40.5
210.12134	2.4
211.13405	1.7
223.13434	1.2
227.12833	1.2
247.20706	6.9
248.20844	1.0
253.09277	0.7
263.20129	1.2
265.21719	1.1
273.18616	2.4
277.21875	4.0
278.22067	0.7
281.21146	1.2
291.19678	100.0
292.20013	11.0
309.17245	1.0
309.20712	16.4
310.21017	1.4
639.30035	0.6
656.43402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	1.3
59.01377	16.6
61.98828	16.9
69.03459	3.8
71.01378	13.1
71.61665	2.0
72.99306	1.9
73.02949	2.0
78.98580	1.6
79.95705	1.8
80.96515	4.9
83.01392	2.6
83.46812	1.3
84.82162	1.1
85.02953	15.7
86.12086	1.1
87.00883	2.3
89.02443	12.8
97.02955	2.8
97.06594	8.7
99.00883	1.7
100.20507	1.2
101.01888	1.5
101.02454	10.5
113.02432	7.7
116.92875	1.9
119.03482	3.2
123.08144	5.0
125.02446	1.7
125.09720	29.4
126.10036	2.0
127.11268	2.1
137.09698	3.8
143.03419	1.9
155.10809	1.5
161.04561	4.1
165.12724	1.6
171.10263	43.4
179.05560	2.1
183.13898	2.3
187.09772	19.5
193.12425	1.5
197.11874	2.6
201.11385	2.7
211.13396	12.1
225.00929	1.8
229.14375	7.4
235.08144	6.8
245.17171	1.5
253.09268	35.2
254.09505	1.4
255.23285	18.5
277.21713	77.2
278.22003	6.9
291.19559	8.4
293.21201	10.0
295.22748	7.1
309.20709	25.9
310.21051	1.8
311.22150	7.0
327.21750	100.0
328.22128	9.0
545.29901	5.2
563.30945	4.8
587.42865	2.6
733.38599	4.3
805.41467	1.9
823.47131	48.2
824.47485	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	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.0
58.29855	0.4
59.01382	6.3
61.98830	46.0
63.99240	0.4
65.19035	0.5
69.03455	1.0
71.01385	5.4
71.11220	0.9
72.99295	0.6
73.02945	1.3
75.98512	0.4
78.91866	0.5
80.91684	4.2
80.96514	1.4
83.01395	0.5
85.02961	1.7
87.00864	1.6
89.02460	4.4
97.06571	0.4
101.02436	6.4
109.06574	0.5
111.08160	9.2
112.08569	0.6
113.02459	3.1
119.03511	1.4
121.10239	0.5
123.83023	0.4
127.07664	1.3
143.03444	0.8
151.11296	0.7
153.12845	1.1
161.04558	3.5
169.12381	3.7
171.10271	2.5
179.05663	1.2
179.10841	0.5
179.14532	0.5
181.12373	1.2
183.13835	0.7
195.13896	6.7
196.14331	0.8
197.11821	45.9
198.12172	2.7
199.13399	2.9
205.12408	0.6
205.16048	0.4
209.11778	0.4
211.13376	8.3
212.13593	0.6
223.13364	5.6
225.14941	0.5
227.12904	1.1
228.13663	1.2
235.08273	1.8
253.09280	34.8
254.09581	1.9
256.13229	0.9
263.20074	3.4
265.18060	1.2
273.18536	0.6
275.20175	6.0
277.21719	1.2
289.18057	0.6
291.19659	18.7
292.19995	3.1
293.21222	100.0
293.90274	0.5
294.21536	10.1
309.20703	70.7
310.21063	7.7
472.56833	0.4
527.29077	0.7
529.30469	0.6
545.29596	1.5
547.42883	0.4
585.41937	2.5
586.42206	0.7
821.42297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.2
59.01384	6.9
59.02939	0.8
61.98830	84.4
62.98542	1.0
69.03468	1.9
71.01377	7.9
71.62399	1.0
72.99328	0.7
73.02952	1.8
78.95890	1.3
80.96510	3.2
85.02935	1.3
87.00855	1.3
89.02444	4.7
90.40168	0.8
97.02948	4.4
97.06556	0.9
99.00858	0.8
101.02448	5.9
109.06606	1.4
111.08147	3.8
113.02438	3.3
113.09766	0.8
116.92883	0.7
119.03478	1.5
125.09750	1.1
125.13140	0.7
127.07632	1.0
137.09766	1.1
149.67616	0.7
161.04523	2.9
165.12833	1.9
169.12315	1.1
171.10220	4.3
179.05586	1.2
179.14346	0.9
179.82153	0.8
181.12308	1.1
183.13902	1.3
195.13893	10.9
196.14238	1.2
197.09998	1.1
197.11818	18.9
198.12122	1.3
199.13354	1.9
205.12502	0.9
211.13416	4.8
223.13368	7.0
225.00726	0.8
227.13077	1.4
228.13593	0.8
235.08232	2.9
247.20677	2.5
253.09291	30.9
254.09601	1.5
256.13196	1.1
263.20178	1.5
273.18582	1.7
275.20120	6.5
277.21518	1.3
281.48666	0.8
291.19656	26.8
292.19940	4.2
293.21228	100.0
294.21512	9.8
309.20700	82.7
310.21063	9.0
529.30115	1.1
534.33167	0.9
545.29541	2.4
585.41724	2.6
731.37146	1.2
783.45184	1.0
821.40271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
58.00599	0.4
59.01382	6.6
61.98833	44.5
63.99268	0.4
65.06737	0.3
69.03448	0.8
71.01386	6.0
72.99281	0.5
73.02940	1.1
78.95899	0.5
80.91659	0.8
80.96491	0.8
83.05019	0.5
85.02941	1.5
87.00860	0.8
89.02450	4.4
95.01335	0.4
95.05046	0.4
97.02943	1.1
98.19858	1.3
101.02448	5.2
104.72234	0.4
109.06601	0.7
111.07446	0.6
111.08163	7.7
113.02464	2.7
119.03499	1.1
121.06535	0.3
125.02473	0.4
127.07673	0.6
142.49146	0.3
143.03490	0.4
145.05075	0.5
151.11273	0.6
153.12840	0.6
161.04588	2.6
163.11275	0.6
165.12808	0.9
169.12358	2.9
171.10249	1.6
177.12834	0.6
179.05595	1.2
179.14429	1.2
181.12341	1.4
183.13916	0.9
195.12245	0.7
195.13905	8.3
196.14330	0.6
197.11833	38.6
198.12161	2.4
199.13419	1.9
205.12300	0.5
205.15974	0.4
209.15558	0.7
211.13382	7.1
223.13414	5.6
225.14951	0.5
227.12874	1.3
228.13560	0.7
231.21178	0.4
235.08235	2.6
247.20590	0.6
249.15065	0.7
251.16470	0.4
253.09293	27.2
254.09639	1.6
256.13138	1.4
263.20065	1.7
265.18112	1.3
273.18597	0.6
275.20166	6.0
276.20343	0.4
277.21808	0.9
291.19672	17.3
292.19958	1.7
293.21231	100.0
294.21561	10.9
309.20715	55.8
310.21094	5.7
433.20950	0.5
492.22632	0.5
529.30176	0.8
545.29773	1.9
568.06012	0.4
585.41522	2.4
751.53424	0.4
821.40802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01123	1.0
59.01380	9.5
61.98829	9.5
71.01385	6.8
71.61791	1.0
71.62808	1.1
72.99299	1.9
73.02924	1.7
79.95737	6.8
80.96494	1.3
83.01366	1.3
85.02934	1.5
87.00847	3.7
88.04030	1.4
89.02434	1.0
90.75407	1.0
91.01888	1.3
93.03465	2.4
95.01409	1.0
96.96012	100.0
99.00869	1.5
101.02455	1.3
106.04221	2.7
107.05042	13.6
108.02142	4.1
109.02936	3.5
112.98861	5.3
113.02422	2.3
117.03468	11.0
119.05003	3.3
121.02918	2.5
123.04456	1.4
125.02401	2.7
130.04193	2.0
131.05028	5.8
132.05746	1.2
133.06587	14.6
134.03743	5.9
135.04520	11.6
137.02402	2.0
138.05585	3.3
139.04028	1.1
145.02930	2.2
147.04424	1.6
149.00887	5.5
149.02242	1.1
149.06078	44.8
150.03177	2.0
150.06422	2.5
151.00272	1.3
151.04068	1.4
152.01112	2.7
153.01878	1.1
158.03705	1.6
159.04517	21.2
161.02415	1.7
161.04430	1.7
161.05812	1.2
163.03995	3.8
165.01868	3.8
165.05565	1.9
166.02644	3.1
166.05052	2.7
175.03932	2.4
177.04060	1.3
177.05571	25.3
178.02557	1.3
178.31369	0.9
179.02045	1.8
179.03487	21.0
180.04225	2.5
181.04996	3.7
184.06110	2.7
191.03415	2.0
192.04269	1.1
193.05016	3.4
195.06549	3.2
203.03488	53.6
204.03770	3.9
207.06540	1.0
216.60042	1.0
221.04526	16.6
222.04926	2.2
233.08090	1.9
233.51939	0.9
251.09138	2.3
253.08809	1.0
260.75717	1.0
271.09637	1.2
277.28104	1.0
296.06955	0.9
297.07721	1.0
309.07614	3.1
311.09305	1.3
312.10138	2.0
323.09338	1.2
324.10107	1.6
326.11633	1.2
327.12457	6.6
339.12445	6.3
357.13644	1.1
369.12494	1.1
389.16248	1.1
393.37839	1.1
431.11462	1.4
437.09167	6.7
438.08704	1.2
658.35504	1.1
659.23193	9.9
741.23846	8.7
742.24384	2.0
803.18640	1.7
821.19409	35.0
821.33850	2.1
822.19739	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	820.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98830	100.0
62.98532	0.3
68.89609	0.1
71.01390	0.4
73.02949	0.1
78.13892	0.1
79.95721	0.2
80.80800	0.1
80.96509	0.6
83.72625	0.1
96.96021	0.3
101.02418	0.2
111.58251	0.1
166.76494	0.1
177.01904	0.1
178.99913	0.2
211.13432	0.4
222.73770	0.1
225.00789	0.1
228.86855	0.1
230.09192	0.1
246.15120	0.1
265.10519	0.2
270.62701	0.1
277.21826	0.2
291.19638	0.3
293.21210	1.1
298.01251	0.1
309.20819	0.3
329.66693	0.2
541.42676	0.1
731.36523	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.61639	0.3
78.92926	0.2
78.95914	0.3
80.96532	0.8
90.59009	0.2
94.98103	0.4
97.38253	0.3
104.95423	0.2
176.52779	0.2
176.87650	0.2
207.14421	0.2
249.64774	0.2
260.43011	0.3
277.21774	0.4
293.21350	0.5
299.08099	0.2
307.19064	0.3
474.50885	0.3
819.42108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98831	100.0
62.08891	0.2
67.39053	0.2
71.01398	0.4
71.61334	0.3
79.95769	0.3
80.96519	1.3
89.02467	0.3
94.98092	0.4
106.51073	0.3
106.53580	0.2
111.08166	0.4
125.56225	0.2
141.10548	0.2
194.07211	0.2
197.11870	0.8
209.11891	0.3
211.13472	0.2
253.09354	1.0
277.21603	0.4
289.18103	0.5
291.19608	3.5
293.21268	0.9
307.19199	0.7
309.20782	0.9
315.62051	0.2
325.18414	0.4
326.18896	0.3
354.64606	0.2
819.41772	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43110	0.4
59.01380	3.3
61.98829	100.0
64.03751	0.3
70.85241	1.0
71.01386	2.2
71.05015	0.8
73.02964	0.5
78.95902	0.7
80.96526	1.4
81.03462	0.4
83.01417	0.5
83.05025	0.5
85.02894	0.4
87.00871	0.6
89.02417	1.6
95.01426	0.4
95.05017	1.0
101.02459	1.1
106.04242	0.5
109.06593	2.8
111.04504	0.6
111.08156	0.8
113.02425	0.7
116.92823	0.4
119.03510	0.5
121.06570	0.4
127.07615	0.5
135.04482	0.3
145.05087	0.5
145.06567	0.7
149.09760	0.5
154.08461	0.4
161.04501	0.4
163.11269	0.4
167.10765	0.9
177.12900	0.5
179.10712	0.5
179.14374	0.5
195.13885	4.7
223.13440	2.3
225.00726	0.6
235.08241	1.3
235.13585	0.5
245.19089	1.5
251.16444	0.4
253.09306	8.3
256.13153	0.7
271.16986	0.7
275.20044	2.2
287.16608	1.0
289.18085	50.0
290.18448	5.8
293.21219	40.4
294.21500	4.4
307.19080	2.2
346.31564	0.3
346.77512	0.4
525.26910	1.5
626.58929	0.4
819.51959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.0
61.98827	4.5
65.00330	0.6
71.01386	2.9
71.33832	0.5
72.99322	1.0
73.02958	1.2
81.03462	1.1
83.01405	0.6
83.74847	0.5
85.02977	1.7
87.00901	2.2
89.02461	0.9
93.03464	4.7
95.01376	0.8
95.05008	0.8
95.45464	0.6
96.96049	1.2
97.02986	0.6
98.20654	1.0
99.00892	1.0
101.02470	1.9
105.03471	0.9
107.05041	1.3
108.02171	2.9
109.02954	6.2
112.98795	3.5
113.02464	1.4
116.92908	0.9
119.05041	1.9
121.02944	7.2
122.03748	15.5
123.00879	1.6
123.04518	1.8
124.01656	1.3
124.04102	0.5
125.02467	1.4
132.02194	0.7
133.02962	4.1
134.03738	2.1
135.04532	7.1
136.01686	1.7
137.02444	14.1
138.03238	0.8
139.00336	1.0
139.04012	0.6
144.46449	0.7
145.02965	1.0
147.04510	1.9
149.00977	3.1
149.02435	29.4
149.06085	0.6
150.03224	100.0
151.00381	7.0
151.03795	4.9
152.01170	4.1
152.04771	3.2
153.01955	1.1
159.04567	1.4
160.05283	0.8
161.02446	2.2
161.04558	0.6
161.06091	0.8
162.03239	1.3
163.04059	2.5
164.04813	5.4
165.05566	95.8
166.01280	1.2
166.02705	22.8
166.05856	4.1
167.03493	5.2
175.04033	2.1
176.04738	0.7
177.01942	2.9
177.05591	3.3
178.02652	1.4
179.03488	4.8
179.07121	2.1
180.04257	5.9
181.05064	27.4
182.05403	1.4
184.03775	2.6
187.03998	2.3
190.02672	1.2
190.06206	1.1
191.03502	1.3
192.04286	1.1
193.05040	2.5
194.05769	0.9
195.06618	48.4
196.06941	2.7
202.06313	1.1
203.03529	1.0
205.05037	6.1
205.08705	0.8
206.05827	1.3
207.06644	1.2
209.08150	0.6
219.06564	0.8
220.07394	4.4
221.04559	0.6
221.08046	1.0
230.59242	0.5
235.09773	0.9
237.07649	0.9
266.05750	0.7
282.05322	0.8
293.03110	0.9
314.07867	0.8
315.08530	1.5
317.10403	0.7
329.10162	2.0
329.13910	1.1
340.08969	0.6
341.09634	0.5
355.11749	1.0
357.46249	0.5
371.10959	0.8
372.11899	1.5
386.13556	1.1
387.10562	2.8
387.14911	6.8
388.10968	1.2
402.13290	2.8
403.13940	3.1
416.14490	2.3
417.15530	46.0
418.15945	5.6
485.08850	0.7
510.94690	0.6
535.16333	1.9
547.18994	0.7
550.18060	1.5
553.20416	1.2
565.20746	56.2
566.12885	0.7
566.21167	12.4
583.21277	1.8
595.21674	1.2
596.21875	0.6
613.22906	24.5
614.23242	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	817.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
61.98812	1.4
67.01880	1.3
68.32548	0.5
71.01379	1.6
72.99323	0.6
73.02941	0.6
75.67304	0.6
82.12025	0.5
85.02932	1.3
87.00861	0.9
87.27727	0.6
89.02425	0.7
93.03453	5.0
97.02959	0.6
99.00890	0.8
99.48711	0.6
101.02437	0.8
107.05056	0.6
108.02171	1.4
109.02954	3.8
112.98800	2.6
113.02454	1.2
119.05028	2.4
121.02960	7.7
122.03745	10.9
123.00871	2.0
123.04549	0.8
125.02479	1.1
126.55010	0.6
133.02931	2.2
134.03773	1.8
135.04527	5.9
136.01662	18.1
137.02458	12.1
138.02776	0.7
139.00397	0.8
139.04024	0.7
145.02937	0.9
147.04536	1.3
148.01718	0.7
149.00969	1.6
149.02438	15.0
149.06076	0.9
150.03227	67.7
151.00381	6.9
151.04022	18.7
152.01120	2.5
152.04698	0.9
153.01942	0.8
160.05251	1.1
161.02423	1.8
161.06023	0.9
162.03203	1.0
163.03996	3.0
164.01161	2.1
164.04773	2.8
165.01932	57.1
165.05565	67.1
166.02710	20.8
166.05830	3.4
167.03369	2.6
168.00636	0.6
172.05336	0.6
175.04031	2.6
177.01913	1.7
177.05597	1.2
178.02579	1.0
179.03490	16.8
180.04282	37.2
181.05064	25.2
182.05421	0.8
187.04013	0.8
189.05576	1.7
190.02777	0.9
190.06355	3.5
191.03531	0.9
192.04355	0.8
193.05019	0.9
194.05789	2.9
195.06619	100.0
196.06952	5.5
205.05043	2.1
205.08725	1.2
206.05774	0.7
207.06662	1.1
210.05289	6.7
218.06032	0.6
219.02890	0.7
219.06493	0.7
220.07414	0.6
221.08257	0.7
225.07669	39.6
226.08000	1.4
293.02979	0.9
309.07690	0.6
322.66034	0.6
329.10428	0.9
338.79007	0.7
341.13727	0.6
343.12012	1.0
356.12625	1.1
357.09573	4.0
357.13541	4.4
359.11740	0.7
372.12177	1.9
373.13150	0.8
386.13779	1.7
387.14529	35.8
388.14902	5.0
402.13223	1.1
403.14090	1.4
417.15552	21.1
418.15869	2.1
506.80396	0.6
520.17566	0.7
535.19537	1.1
550.18774	0.8
553.20404	1.2
565.20795	36.9
566.21198	7.5
583.22015	1.3
595.21619	1.4
613.22845	22.4
614.23456	4.5
685.39111	0.7
736.99805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
63.96248	2.1
65.10034	0.4
69.03456	1.2
69.50328	3.3
69.50729	0.7
71.01386	10.2
73.02945	1.3
78.98587	7.8
79.95261	1.0
79.95736	17.8
80.96516	100.0
81.96445	0.4
85.02942	3.4
87.00878	3.7
94.98087	20.6
95.01398	0.6
96.95999	1.6
97.02940	2.3
99.00881	0.9
101.02437	3.2
106.98090	4.3
122.97574	5.2
125.02435	3.3
127.04033	0.6
134.97588	6.5
136.99132	1.4
141.01732	0.6
142.65910	0.5
148.99123	8.4
152.98642	7.0
158.27606	0.4
164.98622	13.8
167.00250	0.6
188.98457	0.5
192.82405	0.4
206.99643	2.7
225.00737	18.3
226.01094	1.0
255.23260	2.3
277.21692	1.2
384.69849	0.5
537.27264	0.9
559.25586	1.5
800.49805	0.5
815.49799	89.2
816.50146	27.4
816.62274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.4
61.98814	1.9
67.01905	1.1
69.31365	6.3
71.01387	2.8
72.99291	1.0
73.02954	0.7
84.99286	0.8
85.02966	1.5
87.00890	2.0
89.02398	0.9
93.03460	4.1
95.01366	1.2
96.96008	1.2
101.02460	1.3
108.02192	1.8
109.02940	3.2
111.00849	0.8
112.98788	2.7
119.05006	2.2
121.02967	7.5
122.03754	12.4
123.00906	1.4
123.04495	1.1
124.01549	0.8
125.02462	1.5
133.02954	2.0
134.03741	0.9
135.04529	8.1
136.01678	19.8
137.02458	17.2
138.02792	0.7
139.04022	0.9
146.03661	0.7
147.04518	1.0
149.00960	2.2
149.02443	15.0
149.06071	1.4
150.03229	66.7
151.00386	7.1
151.04021	21.6
152.01115	2.5
153.01929	1.0
159.04494	0.9
160.05298	1.4
161.02409	1.6
161.06111	0.8
162.03221	1.2
163.03984	3.2
164.01117	1.7
164.04753	2.2
165.01932	67.1
165.05566	63.0
166.02711	20.1
166.05833	3.6
167.03479	3.7
175.04001	2.5
177.01923	1.5
177.05542	1.9
179.03500	17.1
179.07108	0.9
180.04286	40.5
181.05055	25.1
182.05388	0.9
188.04787	0.8
189.05583	1.9
190.06364	2.2
191.03473	0.8
192.04211	0.9
193.04979	0.9
194.05835	2.7
195.02933	2.3
195.06621	100.0
196.06960	6.3
205.05026	1.7
207.06503	1.2
210.05348	6.4
225.07680	46.2
226.08006	2.3
260.72986	0.7
266.62021	0.6
279.06500	0.6
293.03070	1.4
329.10315	1.0
342.11087	1.2
343.11917	1.2
355.12082	0.8
356.12558	1.0
357.09735	2.8
357.13501	4.1
359.11481	0.7
372.12045	3.3
373.12866	1.5
386.13998	1.8
387.14529	41.9
388.14862	5.1
402.13510	0.8
403.13562	1.3
417.15543	19.6
418.15845	2.2
535.20630	1.2
553.21088	0.9
565.20764	41.5
566.21149	8.7
583.21600	1.3
595.21411	0.8
613.22931	21.2
614.23590	4.2
685.38586	1.0
774.73883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31861	1.1
61.98814	2.0
63.96235	1.6
64.43462	0.9
69.03464	0.9
69.52595	0.9
71.01384	10.2
73.02942	2.1
77.54055	0.9
78.98585	8.3
79.95739	20.1
80.96516	100.0
83.89209	1.0
85.02939	3.7
87.00848	3.6
94.98087	20.8
96.96024	1.8
97.02946	2.5
97.37213	0.8
101.02427	3.4
106.98077	4.5
122.97598	5.8
124.22888	1.0
125.02448	3.4
129.98425	1.0
134.97600	7.0
136.99121	2.4
148.99127	8.4
152.98636	10.1
156.37926	1.0
164.98633	14.1
182.65320	1.1
206.99672	3.1
225.00764	17.7
255.23238	1.8
387.84357	1.0
537.27393	1.3
815.49829	94.6
816.50140	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	815.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01379	24.8
61.98834	11.1
69.03410	1.0
69.78311	3.3
69.78728	1.3
71.01376	8.9
72.99322	2.7
73.02945	3.6
80.96500	1.7
83.01413	1.0
85.02961	3.5
87.00883	3.5
89.02452	5.8
96.90442	0.9
96.96001	1.1
97.02984	1.0
98.20596	1.9
99.00858	4.2
101.02445	6.2
105.97784	0.8
108.02195	1.8
109.02982	1.3
111.08140	2.5
112.98788	4.0
113.02438	4.6
119.03522	1.9
121.28424	0.8
123.08178	3.6
124.71198	0.9
125.02424	1.0
130.99860	1.0
131.48280	0.9
135.04498	4.5
137.02495	1.2
137.09732	1.2
143.03497	0.9
145.03084	1.1
149.00963	4.6
152.01167	2.3
161.02428	1.4
161.04576	2.4
163.03954	1.0
163.11227	3.8
165.12836	25.4
166.13202	0.8
179.03491	2.0
181.12558	0.8
183.13892	100.0
184.14249	7.0
185.42383	0.7
189.12880	4.6
207.13899	6.8
209.11778	2.9
225.14948	1.3
227.12883	47.3
228.13202	3.2
240.63805	1.1
293.03094	1.5
485.09662	0.9
494.59680	1.0
501.23059	1.3
519.23993	4.1
521.34717	1.0
551.19366	1.2
552.19666	0.9
561.25488	43.0
562.25836	8.0
729.35986	1.1
755.41943	1.1
771.37994	54.3
772.38275	16.1
815.49329	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	815.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.6
59.01380	16.1
61.98833	8.2
69.03458	0.7
69.97852	1.1
69.98254	2.1
71.01390	7.5
72.99297	1.3
73.02946	2.7
80.96510	1.9
85.02951	2.8
87.00909	3.6
89.02448	3.9
93.74615	0.6
95.01440	0.8
98.19958	1.2
99.00871	3.7
101.02451	4.1
103.00378	1.0
109.02958	1.0
111.08154	2.3
112.01702	0.6
112.98799	3.6
113.02451	3.8
119.03526	1.4
119.05019	0.9
123.08153	3.1
125.02420	1.4
134.03734	0.9
134.80714	0.7
135.04524	4.8
137.02507	0.9
137.09654	0.7
144.25023	0.7
149.00926	5.3
149.04527	0.8
149.06058	0.6
161.02454	1.0
161.04573	1.3
161.66946	0.6
163.11278	3.0
165.12839	25.9
166.13116	0.7
177.81590	0.7
179.03508	2.7
179.07092	0.7
183.13901	100.0
184.14288	5.7
189.12834	1.8
207.13921	2.4
209.11797	2.7
211.13438	0.8
219.54892	0.7
227.12895	45.1
228.13217	3.0
257.54343	0.7
279.34894	0.6
282.26147	0.6
293.03030	1.3
329.23471	1.0
355.63226	0.7
501.23380	1.4
519.24323	2.6
521.34747	1.0
551.19244	1.2
561.25513	14.9
562.26080	2.8
665.26770	0.7
771.38110	58.5
772.38318	16.5
815.48962	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01380	72.3
60.01698	1.2
61.98515	1.4
61.98827	20.7
66.81400	0.6
70.51543	0.7
71.01383	30.1
72.99301	3.8
73.02950	14.6
78.95880	1.0
80.96509	6.0
83.01383	5.5
85.02959	8.2
87.00874	3.8
89.02443	15.2
93.03481	0.8
94.98073	0.8
95.01374	2.4
96.96002	1.4
99.00867	2.1
101.02445	22.3
109.02934	1.1
112.98851	4.0
113.02449	12.3
116.92876	1.6
119.03511	4.4
119.04990	1.0
121.02941	1.0
125.02437	1.0
131.03539	1.8
134.03677	0.7
135.04521	4.6
137.35495	0.7
143.03516	1.4
147.04515	0.7
149.00912	6.9
149.04546	1.0
155.03470	1.1
161.02443	1.2
161.04555	2.6
161.05907	0.8
171.10272	0.7
179.03493	2.7
183.13881	1.0
193.05084	0.8
225.00694	0.7
229.70616	1.1
293.03113	1.9
326.70413	0.7
349.66852	0.8
352.36902	0.8
463.27020	2.4
481.28049	4.7
505.28061	3.1
521.34540	0.8
523.29095	100.0
524.29370	19.9
565.29993	2.9
566.30383	0.7
815.49066	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	815.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.6
59.01095	2.0
59.01377	23.5
61.85945	1.3
61.98835	14.2
71.01390	16.6
72.99301	3.5
73.02929	4.0
75.00880	2.5
78.15421	1.3
80.96522	3.7
83.01366	3.5
84.99303	1.4
85.02946	6.5
87.00883	12.4
88.98810	1.6
89.02456	5.4
93.03481	2.2
94.98080	1.7
95.01373	3.5
99.00856	3.7
99.04514	2.2
101.02432	6.4
103.00351	3.0
105.01929	1.9
108.02179	59.8
109.02319	1.8
109.02968	25.9
112.98816	15.7
113.02462	3.6
113.33717	1.5
116.92830	1.6
119.05023	5.0
121.02968	3.2
123.00895	4.1
123.04520	2.7
123.94343	1.8
125.02457	3.1
128.03514	1.3
130.99820	2.0
133.02966	4.3
134.03711	3.4
135.04532	24.0
136.04863	1.6
137.02432	4.9
145.03006	2.6
146.03708	1.5
147.04492	2.4
148.05196	1.6
149.00929	27.6
149.02278	1.7
149.06064	3.3
150.01370	1.7
150.03210	4.1
151.04024	3.4
152.01164	100.0
153.01755	5.5
159.04550	2.2
161.02455	3.9
163.04004	6.3
163.07683	1.9
163.80614	1.6
165.05548	2.6
165.12860	2.2
175.03981	3.1
176.01112	2.8
177.01894	4.8
178.02702	2.0
178.78694	1.7
179.03462	13.0
183.13899	10.0
193.04987	2.1
204.56203	1.4
219.02969	3.3
220.10651	1.5
227.12845	4.0
237.92642	1.5
241.07166	7.6
271.19131	2.1
293.03076	5.5
371.15018	3.2
397.11093	2.3
399.09216	2.9
417.10379	87.2
418.10815	10.0
441.10391	16.3
442.10693	1.8
485.09344	57.8
486.09573	6.0
521.34265	5.2
551.19611	7.7
561.25232	2.9
567.23523	1.9
653.34979	2.6
771.38721	3.0
815.26080	3.3
815.49933	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	813.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.3
62.90783	0.4
65.02403	0.4
67.42012	0.4
71.60816	0.7
72.99326	0.9
75.03036	0.4
84.99341	0.7
87.00877	6.6
89.02422	0.7
89.03948	1.2
89.20222	0.5
93.03447	0.6
96.95982	0.5
97.82365	0.4
101.02456	0.9
103.00363	7.0
112.98812	13.7
113.66067	0.4
113.67027	0.4
113.99149	0.6
117.03468	5.3
119.05027	48.1
120.05345	2.2
123.45982	0.4
130.99870	2.0
133.02933	1.0
134.03746	62.0
135.04153	2.7
137.02460	1.4
139.04054	0.7
145.03000	1.7
147.04590	0.5
149.00909	1.2
149.06091	6.4
160.77365	0.6
163.04008	49.9
164.04364	2.6
177.01930	1.6
178.02718	5.3
179.03468	1.7
186.16846	0.5
193.05055	100.0
194.05391	5.7
285.04022	0.7
310.62552	0.5
325.05597	25.2
325.09296	25.2
326.05933	2.4
326.09628	1.9
433.89856	0.5
456.13800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98825	3.3
62.95948	0.6
63.96240	2.0
69.03442	1.2
71.01030	1.2
71.01389	11.1
71.24751	0.8
72.74715	0.7
73.02971	1.5
78.95883	1.0
78.98586	7.7
79.95739	20.3
80.96519	98.6
81.03484	1.0
81.96457	0.9
82.96095	3.8
85.02946	4.5
87.00881	3.4
90.75957	0.6
94.98088	23.7
96.96005	1.9
96.97657	1.2
97.02975	2.3
99.00889	0.8
101.02462	2.8
106.98078	4.6
113.02361	0.8
122.97591	4.5
125.02435	3.7
127.03946	0.8
134.97603	7.9
136.99146	1.5
148.99147	9.3
152.98650	9.1
164.98625	16.9
183.41939	0.7
201.11345	1.2
206.99695	4.0
208.72195	0.8
225.00735	29.0
226.01033	2.3
264.38776	0.7
283.04962	0.9
283.26410	1.4
483.15326	1.7
527.17957	2.7
565.30670	1.8
701.15619	0.7
710.55731	0.9
756.84308	0.9
767.42267	4.4
768.42535	1.1
793.44006	1.2
811.45056	100.0
812.45410	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	813.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53200	0.5
59.01378	6.8
71.01382	0.5
71.49003	0.5
71.60965	0.5
71.61396	0.5
72.99318	3.8
87.00872	10.9
89.02439	0.6
91.05547	0.5
103.00388	4.7
105.01933	1.0
107.04991	0.5
109.02965	1.2
113.02436	0.5
119.03508	0.6
119.05046	2.6
121.02898	0.6
130.99872	1.2
132.54994	0.5
133.02954	2.4
134.03773	3.7
135.04524	77.4
136.04875	3.7
147.04446	0.5
149.00917	68.7
149.06104	1.1
150.01262	2.1
150.11389	0.5
151.04169	0.5
163.04037	2.6
163.49304	0.5
165.04059	0.6
175.04018	0.8
177.01933	1.0
179.03494	100.0
180.03824	5.1
184.40854	0.5
189.05534	1.7
191.34192	0.5
192.77899	0.5
193.05095	0.9
197.44083	0.5
217.05019	1.0
221.04393	0.5
221.28767	0.4
222.79750	0.5
237.04117	0.5
260.96454	0.5
279.05161	0.5
311.04095	20.9
312.04495	1.3
323.13464	2.0
339.07181	5.5
403.76123	0.5
472.15576	0.7
501.12149	1.6
555.11023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
58.00578	1.7
59.01376	34.0
60.01729	0.6
60.25898	0.4
61.98811	0.6
67.01883	0.7
68.99800	1.7
69.50999	3.4
71.01380	29.7
72.01687	0.5
72.99303	2.6
73.02942	2.1
73.75433	0.4
75.00447	0.9
75.00870	16.7
80.95216	0.4
82.31763	0.5
83.01387	2.5
83.05021	1.9
85.02951	12.4
85.69438	0.4
87.00864	3.8
87.04465	0.5
89.02443	15.9
91.08931	0.4
95.01375	5.7
97.02911	0.6
98.19859	0.6
99.00880	14.3
99.04479	0.9
100.52565	0.5
101.01769	0.7
101.02435	15.2
111.00877	0.5
112.01636	0.7
112.98791	0.7
113.02448	11.1
115.00311	0.7
119.03494	2.2
131.03459	0.6
135.04497	1.0
139.00369	0.6
157.01424	1.8
161.04501	1.1
179.03476	0.8
179.05563	0.6
223.13374	1.0
293.03101	0.5
305.53046	0.5
439.32224	1.3
441.33734	0.8
471.34821	1.9
473.36356	1.0
509.36353	0.9
541.38953	0.9
561.25116	0.5
631.38037	0.7
811.44806	100.0
812.45142	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	811.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.9
59.01380	58.4
59.04763	0.7
60.01697	1.0
61.98824	2.7
69.11076	0.8
69.47664	2.8
69.48089	3.3
71.01381	34.1
72.99310	1.5
73.02946	14.7
74.80791	0.9
75.00852	1.1
83.01382	3.3
85.02959	8.7
87.00880	3.9
89.02444	25.0
95.01379	1.8
97.02958	1.6
99.00881	47.1
100.01190	1.2
101.02439	12.4
101.32076	0.8
106.04252	1.5
107.05035	5.4
108.02195	1.9
109.02981	1.2
112.98801	3.5
113.02457	14.9
117.02618	1.6
117.03464	32.5
118.03754	1.2
119.03481	3.0
119.05035	3.6
121.02938	2.9
125.02427	2.7
131.03496	4.8
131.05022	2.8
133.02951	1.3
133.06592	6.7
134.03735	2.6
135.04507	8.1
137.02397	0.9
143.03464	2.7
145.03024	1.4
149.00923	1.3
149.04529	23.3
149.06029	6.6
150.03233	1.4
150.04958	1.4
151.03976	1.1
155.03499	2.0
158.03712	1.9
159.03188	1.4
159.04510	22.0
161.02435	1.3
161.04538	6.9
163.03983	1.8
165.05573	1.4
175.03925	0.9
176.66345	0.7
177.05554	11.1
179.03500	19.4
180.03915	1.3
191.05597	20.5
193.05075	1.5
203.03461	36.1
203.05548	9.8
203.10686	1.3
204.03751	2.1
204.05859	1.2
219.03040	1.1
221.04504	11.0
223.13303	4.5
233.06638	7.7
235.57588	0.8
239.05609	3.8
267.12375	1.3
293.03036	2.0
335.09793	2.2
353.10547	1.9
355.15448	1.8
356.73840	0.8
413.21756	1.1
503.25024	9.9
504.25116	1.8
517.22992	0.8
545.26007	100.0
546.26373	21.7
561.25067	1.5
649.24872	1.2
683.73798	0.8
767.31567	3.8
768.32135	1.2
782.46014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.3
58.00591	3.1
59.01379	80.8
59.11208	1.9
61.98832	11.2
63.44543	1.6
69.03442	3.6
69.33560	8.1
69.33990	7.3
71.01383	55.0
72.01719	1.9
72.99313	5.4
73.02946	29.0
81.03468	2.5
83.01388	6.7
85.02953	12.9
87.00881	13.4
88.98795	2.5
89.02447	46.9
93.03466	4.3
95.01373	3.2
96.96008	2.3
97.02945	3.2
99.00880	100.0
99.04522	4.0
100.01157	2.2
101.02437	19.4
104.03529	3.9
106.04303	1.8
107.05018	8.5
108.02180	4.1
109.02934	3.9
112.98811	16.5
113.02448	16.0
117.03471	36.7
118.03687	2.3
119.03477	2.8
119.05015	11.6
120.05360	2.2
121.02968	4.2
123.04510	3.1
125.02438	8.3
127.00346	2.6
127.93827	1.7
130.99802	2.5
131.03535	15.8
131.05022	4.9
133.02928	5.2
133.06558	7.0
134.03745	9.1
135.04517	23.6
137.02382	5.5
138.05530	3.1
139.00345	1.8
143.03474	7.7
143.04732	1.7
145.02946	3.2
149.00941	9.2
149.02512	3.6
149.04559	68.0
149.06004	8.0
150.03178	7.0
150.04826	2.2
152.01176	2.2
155.03499	5.1
158.03709	2.1
159.04509	27.1
160.01659	2.1
161.02408	6.4
161.04601	9.4
163.04021	12.6
165.05524	5.8
167.03473	1.7
175.03957	6.3
177.01936	4.6
177.05536	17.1
178.02606	2.9
179.03474	30.2
180.04062	2.3
191.03770	2.5
191.05609	49.3
191.07329	2.7
192.05963	2.9
193.05042	5.7
195.06715	2.3
203.03467	40.0
203.05566	31.6
203.10767	4.3
204.03835	2.3
207.10106	2.5
219.02997	5.5
221.04590	13.6
223.13348	6.2
231.02823	1.8
233.06648	25.0
239.05672	4.9
241.05069	2.0
249.07399	1.7
267.15921	3.5
293.03036	8.5
326.23209	2.2
335.09811	9.1
337.09357	2.1
353.11020	3.9
503.24866	3.4
506.19601	2.0
543.24628	2.1
545.25995	51.4
546.26324	9.9
561.25684	2.7
649.25134	9.3
679.33124	2.4
767.32080	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	811.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
59.01380	22.3
59.16242	1.2
61.98825	9.4
68.53359	1.3
71.01382	5.1
72.99284	1.5
73.02927	1.5
85.02956	1.9
87.00876	3.3
88.98797	3.6
89.02478	1.3
90.74265	1.3
95.52631	1.1
96.95995	3.4
99.00864	1.7
101.02421	2.8
105.03443	2.1
109.02958	1.6
112.98802	7.0
113.02424	1.9
116.92856	3.5
117.92886	1.5
119.03512	1.4
119.05045	1.3
124.01584	1.5
132.32465	1.4
133.02934	1.9
133.40359	1.4
135.04544	8.8
146.03712	1.8
149.00911	2.7
149.02405	2.6
150.03183	1.8
151.04015	6.8
161.02449	27.0
161.04482	2.2
162.02815	1.8
163.04028	1.5
164.04765	3.1
165.05498	1.2
176.04778	16.2
179.03500	48.3
179.05144	2.3
179.07076	3.7
180.03813	3.2
181.04982	1.1
189.09163	1.5
191.07082	8.0
194.05840	42.3
194.07625	2.0
195.06133	3.4
200.04684	1.2
200.69456	1.2
209.08185	100.0
210.08507	7.2
219.02925	2.7
263.07733	2.1
293.02960	2.4
353.13898	3.3
362.53479	1.2
517.26202	2.6
563.22565	1.5
568.13367	1.4
753.16272	1.6
780.62579	1.4
811.45868	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	811.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01378	9.9
61.98824	4.6
69.40719	3.5
69.41149	4.5
71.01400	4.7
77.94006	1.0
81.88510	0.9
83.01392	1.7
85.02943	2.1
87.00874	3.8
88.98793	1.1
89.02455	3.1
90.16808	0.8
96.96017	1.4
98.88657	1.0
99.00833	1.5
101.02446	2.0
103.00378	0.8
108.02189	1.1
109.02943	3.6
112.98798	3.1
113.02424	1.4
117.03425	1.6
119.05037	2.8
121.02954	1.4
133.02925	3.5
134.03761	2.7
135.04533	16.4
136.04881	1.2
136.07652	1.5
137.02466	1.7
138.18964	1.0
145.02979	4.0
149.00943	5.3
149.06065	3.0
151.00414	2.0
151.03960	1.7
154.00941	1.1
158.03688	1.4
159.04532	1.6
160.01669	2.1
161.02457	5.9
161.06036	1.3
162.05605	0.9
163.04008	2.8
163.99446	1.2
175.03964	3.0
177.01912	1.2
178.00990	1.4
178.02698	1.1
179.03474	5.6
189.05542	2.0
193.05109	1.7
199.04016	2.2
203.03520	1.5
207.06677	1.2
215.03520	1.9
221.02716	2.5
221.04591	1.6
226.02675	1.6
227.03394	2.2
242.02246	1.1
243.02936	6.9
245.00952	1.6
254.02184	2.3
255.02930	8.2
270.01740	1.9
271.02475	55.4
272.02832	4.3
298.01291	1.0
299.01971	64.6
300.02719	65.6
301.03070	6.8
315.05106	61.2
316.05344	5.1
401.16953	1.1
427.15985	3.5
459.09421	1.6
477.10291	5.7
504.08905	10.2
519.11414	100.0
520.11670	18.5
561.12256	5.2
723.17664	11.5
724.18085	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	811.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.4
61.98823	7.4
69.28345	8.3
71.01377	5.5
72.99291	1.2
73.02938	1.4
75.00852	1.4
85.02931	1.8
87.00885	3.4
88.98842	2.4
89.02448	2.1
95.04996	1.1
96.95991	3.0
99.00879	1.2
99.92555	1.0
101.02413	1.1
105.01910	1.4
105.03436	2.7
105.10560	1.4
108.28980	1.0
112.98792	4.0
113.00204	0.9
113.02435	2.8
116.92849	3.8
117.92885	1.6
119.05024	2.0
121.02986	1.7
122.91834	1.0
133.02962	1.9
135.04520	6.2
137.02440	2.1
145.02971	0.9
146.03650	1.2
147.04512	1.3
149.02397	4.2
150.03195	1.0
151.04018	7.6
161.02451	31.4
161.06107	1.4
163.04007	1.9
164.04767	2.5
176.04782	17.8
177.05489	1.0
179.03505	52.1
179.07111	2.9
180.03818	4.0
189.09203	1.7
191.07118	7.0
194.05841	48.3
195.06209	2.7
203.10735	1.3
209.08195	100.0
210.08582	5.3
219.02884	0.9
232.68219	1.0
263.07828	1.5
263.68896	1.1
293.03275	1.4
300.99484	0.9
312.08633	1.0
353.09552	1.3
353.13943	2.9
355.15738	1.6
387.14838	1.0
448.69162	1.1
469.20575	1.1
517.26044	1.8
535.46704	1.1
558.21722	1.3
575.67096	1.0
811.45789	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	809.6303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.3
64.24536	0.3
69.73750	1.5
71.01390	0.3
78.95945	0.3
97.14377	0.3
116.92856	0.6
248.18082	0.3
277.21765	0.3
305.38062	0.3
372.64706	0.3
457.36856	100.0
458.37189	17.8
522.67358	0.3
587.11981	0.3
659.67139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.9
59.01378	9.9
61.98824	4.6
69.40719	3.5
69.41149	4.5
71.01400	4.7
77.94006	1.0
81.88510	0.9
83.01392	1.7
85.02943	2.1
87.00874	3.8
88.98793	1.1
89.02455	3.1
90.16808	0.8
96.96017	1.4
98.88657	1.0
99.00833	1.5
101.02446	2.0
103.00378	0.8
108.02189	1.1
109.02943	3.6
112.98798	3.1
113.02424	1.4
117.03425	1.6
119.05037	2.8
121.02954	1.4
133.02925	3.5
134.03761	2.7
135.04533	16.4
136.04881	1.2
136.07652	1.5
137.02466	1.7
138.18964	1.0
145.02979	4.0
149.00943	5.3
149.06065	3.0
151.00414	2.0
151.03960	1.7
154.00941	1.1
158.03688	1.4
159.04532	1.6
160.01669	2.1
161.02457	5.9
161.06036	1.3
162.05605	0.9
163.04008	2.8
163.99446	1.2
175.03964	3.0
177.01912	1.2
178.00990	1.4
178.02698	1.1
179.03474	5.6
189.05542	2.0
193.05109	1.7
199.04016	2.2
203.03520	1.5
207.06677	1.2
215.03520	1.9
221.02716	2.5
221.04591	1.6
226.02675	1.6
227.03394	2.2
242.02246	1.1
243.02936	6.9
245.00952	1.6
254.02184	2.3
255.02930	8.2
270.01740	1.9
271.02475	55.4
272.02832	4.3
298.01291	1.0
299.01971	64.6
300.02719	65.6
301.03070	6.8
315.05106	61.2
316.05344	5.1
401.16953	1.1
427.15985	3.5
459.09421	1.6
477.10291	5.7
504.08905	10.2
519.11414	100.0
520.11670	18.5
561.12256	5.2
723.17664	11.5
724.18085	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	809.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	100.0
65.57411	29.6
70.35283	50.6
71.10332	26.5
78.51389	33.9
98.20648	30.6
113.17299	31.2
170.42896	26.4
183.87590	39.7
212.20256	28.8
568.43207	32.6
740.25464	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49372	0.4
57.03430	0.6
59.01371	1.3
61.98822	1.7
69.31990	2.3
69.32415	1.3
71.01383	0.4
72.80681	0.4
80.54963	0.4
81.99554	0.4
82.32803	0.4
87.00949	0.4
98.19853	0.8
113.09702	1.3
116.92809	0.6
123.89946	0.4
124.16927	0.3
134.89476	0.6
179.14461	0.9
195.13890	12.5
196.14240	1.5
233.22729	0.5
253.09254	0.5
277.21710	16.0
277.24771	0.8
278.22073	1.7
295.22763	100.0
296.23096	10.2
325.87518	0.4
452.77478	0.4
627.94720	0.6
784.65515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01377	0.7
61.98830	0.8
65.47453	0.3
65.63047	0.3
69.30910	2.5
69.31323	0.6
70.32505	0.3
71.01364	0.4
80.18311	0.4
87.00877	0.4
97.06591	0.7
114.05621	0.6
123.08156	0.4
125.09721	2.5
141.12837	0.9
149.09689	1.5
185.11813	6.2
197.11856	2.2
209.11594	0.4
249.22261	0.7
253.09236	1.0
275.20343	0.5
277.21756	0.5
279.23297	6.5
280.23779	0.5
293.21222	100.0
294.21576	11.3
606.54132	0.4
636.93146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37225	0.8
59.01393	1.0
63.96241	2.6
71.01384	11.3
73.02942	2.7
78.98595	9.1
79.95270	0.9
79.95740	18.8
80.96517	100.0
81.03464	0.8
85.02948	3.9
87.00856	4.0
94.98090	24.3
96.95996	1.2
97.02945	2.3
99.00881	1.4
101.02454	3.7
106.98079	4.4
122.97597	4.2
125.02473	4.0
127.04007	1.3
134.97601	5.8
136.99149	2.5
137.63492	0.8
148.99159	8.2
152.98648	8.7
164.98630	17.1
165.98987	0.7
167.00180	0.9
202.29770	0.7
206.99677	4.0
209.11702	0.7
225.00737	30.9
225.11363	1.3
226.01059	1.2
281.03400	0.8
283.04813	1.2
283.26382	2.9
383.72348	0.7
507.15634	1.1
525.16595	2.1
565.30444	1.5
765.41479	0.9
791.42755	4.5
792.42969	1.4
809.43585	88.1
810.43903	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	807.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.4
58.00599	0.9
59.01099	1.3
59.01381	25.9
61.98840	9.9
67.01906	0.8
68.99801	2.8
69.03437	0.9
71.00990	1.4
71.01382	27.7
71.61444	1.1
71.61866	1.5
72.99292	2.6
73.02953	6.2
75.00877	7.2
75.31325	0.8
78.95911	0.9
83.01375	3.4
83.04982	1.1
85.02948	12.3
87.00874	4.8
88.98788	2.1
89.02447	10.5
95.01385	4.3
96.96017	2.5
96.96874	1.0
97.02937	1.0
99.00882	18.8
99.04502	1.1
101.02448	11.5
112.01606	0.9
112.98808	5.8
113.02448	8.6
115.00359	1.0
116.92874	5.3
119.03509	1.3
121.02921	1.1
123.08201	0.8
125.02478	0.9
127.00356	0.9
135.04510	2.7
137.02403	1.2
143.03445	1.3
149.01006	1.0
157.01373	2.0
161.04584	1.1
163.03978	1.3
170.22472	0.9
171.10239	1.4
179.03394	2.5
179.05597	0.9
183.13916	0.9
211.13435	5.7
252.21387	1.0
253.09312	1.5
261.11002	2.1
291.19800	1.3
309.20767	2.5
354.38791	0.8
467.31564	1.3
469.33224	2.2
497.25873	1.1
497.76193	1.2
498.37286	1.0
534.27960	4.2
534.77399	1.9
537.35907	3.9
551.33771	1.9
583.36206	2.0
584.36676	1.6
627.35480	6.2
628.35266	1.5
637.92572	1.0
745.42120	1.2
807.41669	100.0
808.42188	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	807.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
58.00599	0.9
59.01379	15.5
60.01730	0.3
61.98833	1.9
68.99827	0.4
69.03456	1.2
71.01381	17.2
71.10233	0.7
71.19730	0.3
71.20189	0.3
72.99310	1.6
73.02949	2.8
78.95860	0.3
81.03458	1.2
83.01395	2.2
85.02955	4.2
87.00874	4.3
87.04539	0.3
89.02441	14.3
90.02785	0.4
91.04041	0.3
94.98075	0.3
95.01382	1.2
97.02960	3.0
99.00882	1.0
101.02446	12.0
109.02943	0.5
111.00845	0.3
111.04462	0.5
113.02455	7.5
114.02813	0.3
119.03496	3.5
123.04542	0.4
125.01508	0.4
125.02448	8.0
125.09723	1.2
127.04018	0.3
127.11307	2.2
131.03500	0.6
133.05020	0.5
139.03989	0.6
141.02011	0.3
143.03496	3.4
145.05095	0.6
149.04564	0.5
153.09219	0.6
161.04544	3.8
167.03435	0.4
171.10260	100.0
172.10596	4.9
179.05582	3.2
187.56409	0.3
195.13841	1.5
199.06038	0.9
213.11246	0.5
217.07156	1.2
221.06680	1.1
235.08202	6.7
236.08415	0.3
245.06636	0.4
253.09297	3.0
255.23277	62.9
256.23621	7.1
259.08261	0.9
263.07706	0.6
269.24857	0.8
277.21725	1.4
287.07651	2.0
293.21252	4.9
294.21466	0.3
295.22736	6.7
296.23294	0.4
301.09204	0.4
305.08743	2.4
323.09744	0.9
379.12421	13.5
380.12799	1.2
397.13477	39.6
398.13785	3.8
415.14529	6.7
416.14990	0.5
499.43256	0.3
551.23578	1.1
569.24701	0.8
571.43048	0.4
635.36365	0.7
653.37439	1.7
654.38458	0.4
672.99695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
59.01380	100.0
60.01714	1.0
61.27407	0.3
69.03501	0.4
70.06686	1.1
70.07095	0.6
71.01380	8.7
72.99306	0.4
73.02950	6.5
75.68114	0.3
83.01397	2.0
85.02970	1.1
87.00912	0.5
89.02460	3.6
95.01402	0.6
96.96032	1.6
99.00860	0.5
101.02445	8.8
106.79531	0.3
113.02454	3.5
119.03496	2.1
123.08176	2.7
131.03543	0.9
134.03795	0.5
135.04536	1.0
137.09720	0.4
143.03526	1.0
145.45822	0.3
149.00922	0.7
149.04549	2.6
160.01675	0.5
161.04556	4.3
163.11279	2.2
175.03999	0.6
179.03558	0.4
179.05676	1.1
189.12839	5.5
203.05673	1.4
207.13896	6.4
208.14301	0.6
221.06589	2.0
247.11905	0.6
268.25497	0.4
289.27975	0.4
333.13657	3.3
333.16852	0.4
387.20428	1.3
429.21268	4.2
430.21863	0.9
473.17053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
59.01379	18.7
61.98827	3.6
69.03463	0.6
69.36007	5.8
70.80312	0.5
71.01382	35.4
71.05020	12.1
72.99314	1.1
73.02946	3.5
75.00877	0.6
83.01392	1.2
85.02940	3.1
87.00862	2.7
88.04042	86.0
89.02448	3.9
89.04401	0.9
90.71709	0.6
93.03435	1.0
95.01401	0.7
95.05090	0.6
96.96032	1.2
99.00883	2.9
99.04511	4.9
101.02439	3.2
103.00342	0.7
108.02184	1.1
108.23801	0.6
109.02954	1.4
112.98811	1.3
113.02428	3.7
113.58129	0.7
116.07153	2.4
119.03478	0.8
119.05044	0.8
123.00864	0.6
123.08176	2.4
124.01596	0.8
125.02443	1.5
129.05617	0.7
130.05110	0.9
131.03522	0.8
133.02928	1.0
134.03796	0.7
135.04546	3.3
137.02432	1.3
145.03032	0.9
146.08234	39.9
147.04532	0.7
147.08566	1.4
149.00912	4.4
149.02094	0.8
149.04526	1.8
149.99602	1.1
150.03226	2.3
151.00323	1.0
151.03809	0.7
152.01141	1.5
161.04538	2.0
163.03888	0.8
163.11258	1.3
165.01935	1.3
165.05542	1.6
166.05913	0.8
167.03423	0.8
168.00601	1.1
178.02718	0.6
179.03479	2.2
180.04256	0.8
181.04929	0.6
189.12868	1.0
191.05652	0.5
195.06633	1.7
198.99112	0.5
200.09311	0.8
203.05531	1.0
207.13902	2.4
218.10323	100.0
219.10674	6.3
240.70953	0.6
249.58020	0.7
260.11362	5.0
283.13354	0.9
335.10162	0.7
362.16879	0.8
501.23676	4.0
510.22311	0.9
519.24274	3.7
520.24689	0.8
543.24335	5.7
558.24158	0.9
561.25513	24.2
562.26038	4.6
573.25684	0.7
615.26288	2.0
657.27472	2.4
762.35516	2.5
792.25616	0.7
807.23877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
58.00590	0.2
59.01376	2.9
61.96173	0.2
61.98832	2.7
69.03458	0.3
71.01380	2.6
71.05016	0.2
72.99322	0.2
73.02927	0.4
78.95921	0.3
80.96515	0.5
83.01389	0.4
85.02950	0.6
87.00871	0.7
89.02439	2.2
91.04008	0.1
95.01369	0.2
95.05024	0.2
97.02924	0.2
98.20629	0.5
99.00858	0.2
101.02453	2.4
104.40183	0.1
108.77194	0.1
111.08171	0.5
113.02457	1.2
113.09737	0.3
116.92830	0.2
119.03501	0.5
125.02451	0.2
129.47292	0.1
143.03500	0.3
161.04564	1.6
167.10857	0.3
171.10234	0.9
177.12909	0.2
177.16423	0.2
179.05614	0.5
179.10764	0.2
179.14401	0.7
181.12410	0.2
195.13914	8.3
196.14326	0.7
205.12395	0.8
205.15923	0.5
206.16263	0.2
211.13385	0.6
223.13397	6.0
224.13719	0.3
228.13672	0.5
231.21228	0.4
235.08246	0.8
239.12834	0.2
249.11017	0.4
249.22336	0.2
253.09285	16.4
254.09593	0.8
256.13232	1.5
265.21756	0.3
275.00354	0.2
275.20142	6.3
276.20428	0.6
277.21799	0.3
291.19672	0.3
293.21225	100.0
294.21564	11.0
309.20779	0.2
314.36938	0.1
492.22092	0.6
529.29865	0.8
569.41962	1.6
570.42627	0.4
655.35077	0.2
805.40338	0.3
806.41290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
58.96021	0.6
59.01361	1.7
61.98826	3.9
69.90099	3.5
71.01366	3.0
78.95887	0.6
78.98595	0.7
79.95734	1.5
80.96526	9.0
83.01409	0.7
85.82859	0.6
87.00863	0.7
94.98104	1.8
97.06596	1.8
101.02425	1.6
107.35504	0.6
121.10241	7.0
123.08166	0.8
125.02484	0.9
125.09745	4.2
134.97621	0.8
141.12888	0.8
147.08156	0.6
148.99062	0.8
164.98651	1.6
185.11839	8.3
197.11821	2.5
209.11771	1.7
211.13397	1.8
213.15195	0.6
220.68036	0.6
223.13387	0.6
225.00810	2.2
235.08365	0.6
247.20706	1.4
253.09276	2.7
263.20081	2.8
273.18671	2.8
277.21722	15.2
278.21973	2.3
289.17880	0.8
291.19669	100.0
292.19989	11.2
300.37335	0.7
712.36334	0.7
805.40283	7.9
806.41003	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	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01381	1.9
59.75280	0.1
61.98840	0.3
69.03450	0.3
69.30634	0.6
69.31074	0.7
71.01384	0.5
71.05022	0.3
71.32357	0.1
74.18703	0.1
80.96519	0.5
82.26752	0.1
83.05021	0.6
95.05019	0.7
97.06600	0.4
98.19908	0.3
99.44106	0.1
109.06558	0.4
111.08159	8.8
112.08521	0.4
112.10990	0.2
113.09727	0.5
135.08134	0.2
135.11784	0.3
137.09700	0.6
139.11322	0.3
141.09221	0.2
149.09726	0.6
153.09161	0.2
155.10751	0.2
165.12918	0.2
167.10767	2.2
177.12827	1.8
179.10754	1.7
179.14320	0.1
180.11147	0.2
188.43015	0.2
193.12094	0.1
195.13885	5.7
196.14240	0.4
203.14339	0.4
207.03268	0.2
214.91359	0.1
245.19124	0.2
247.20667	2.1
248.21046	0.2
253.09283	0.9
273.18585	1.0
277.09625	0.1
277.21704	5.0
278.22174	0.5
291.19647	100.0
292.19992	10.6
362.51541	0.2
456.21283	0.1
680.50720	0.2
805.40662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
71.09789	0.4
71.10107	0.2
78.95888	0.2
80.96525	0.8
91.65940	0.2
128.86467	0.2
179.90417	0.2
225.00812	0.3
279.86755	0.2
293.21063	0.3
580.81494	0.2
630.51520	0.2
670.89789	0.3
804.38934	0.5
805.40247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01379	13.8
61.98834	8.1
67.01883	1.1
69.03442	1.2
71.01382	8.6
71.61348	1.5
72.99320	1.9
73.02945	3.6
74.94037	0.9
78.21140	1.0
81.03461	1.2
83.01384	1.9
85.02951	2.0
86.03296	1.1
87.00880	3.2
88.98805	2.0
89.02449	2.9
90.66609	0.9
93.03457	2.8
95.01412	1.4
95.05049	1.0
95.28529	1.1
96.00918	2.6
96.58793	0.9
96.96021	2.7
97.06555	0.9
99.00880	2.4
101.02438	4.4
103.00381	1.0
108.02214	1.8
109.02959	7.3
112.98808	5.4
113.02459	3.9
116.92873	3.3
117.03435	1.3
119.04982	1.9
121.02930	2.5
123.00842	2.6
123.04505	1.2
124.01654	2.5
125.02448	3.5
130.08751	6.7
130.09602	1.2
131.09129	1.1
133.03024	1.4
134.03773	1.9
135.04521	9.7
136.01637	1.6
136.32289	1.1
137.02454	27.8
138.03085	0.9
139.00432	1.3
139.03979	1.6
145.02945	7.8
147.04521	2.2
149.00912	2.7
149.02419	2.8
149.04536	1.1
149.99585	3.7
150.03204	3.1
151.00386	12.3
151.04033	6.1
152.01154	5.6
152.04805	2.9
153.01932	3.3
154.08745	37.2
155.09108	8.3
159.04518	1.8
161.02411	3.5
161.04605	2.0
162.03221	1.4
163.04031	2.7
164.01138	2.9
165.01930	100.0
165.05508	6.1
166.02725	35.2
167.03479	4.8
168.00621	6.4
168.79541	1.0
172.09773	3.9
173.10164	1.1
175.03922	3.8
177.01898	3.2
177.05545	2.2
178.02686	1.4
179.03496	29.1
180.04283	53.9
181.05054	44.5
182.05437	2.0
187.04001	2.7
192.04250	1.3
193.05052	3.6
194.05786	4.0
195.06622	83.5
196.06895	5.0
203.03513	1.6
205.05074	6.2
207.06599	2.0
210.05365	12.5
218.10196	1.2
219.06523	1.2
220.07379	3.7
225.07680	66.3
226.07986	4.0
239.59262	1.2
262.10849	1.4
300.02597	1.0
359.11475	1.8
368.88693	1.1
371.10928	1.1
372.12064	1.1
386.13699	1.9
387.09906	4.8
387.15179	7.2
388.11090	1.1
402.13123	3.7
403.13751	2.2
416.14731	3.6
417.15533	57.6
418.15930	6.8
565.18286	1.3
595.21808	53.6
596.22168	12.2
599.23120	2.2
643.24048	25.7
644.24127	7.3
761.34515	5.1
762.34552	1.7
805.34534	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
58.09232	0.4
58.41541	0.4
59.01378	5.1
61.98830	13.8
69.03459	0.7
70.63117	0.4
71.01382	3.9
71.05030	0.5
72.99291	0.5
73.02939	0.7
78.95898	0.6
80.96512	1.8
83.01387	0.5
83.05032	0.8
83.08723	0.5
85.02953	1.4
87.00873	0.7
89.02429	3.0
95.01347	0.5
95.05020	1.2
97.02920	0.6
98.19920	1.3
101.02449	3.8
102.03091	0.5
107.86527	0.4
111.08155	9.8
111.25230	0.4
112.08503	0.5
113.02435	1.5
113.09759	0.7
116.28918	0.5
119.03517	0.8
119.04959	0.4
128.32706	0.5
135.11810	0.5
137.09708	0.6
141.09224	0.4
149.09721	0.7
159.95404	0.5
161.04524	1.1
167.10747	2.3
169.12407	0.5
177.12848	1.9
179.05605	0.8
179.10759	1.9
179.14343	1.0
189.35031	0.4
195.13890	12.4
196.14381	0.8
205.12302	0.6
205.16071	0.6
214.13335	0.4
223.13342	3.9
224.13783	0.5
225.00725	0.8
225.14795	0.5
228.13591	0.8
235.08267	3.2
239.12689	0.5
247.20712	2.2
253.09308	15.7
254.09691	0.9
256.13120	0.9
273.18494	0.9
275.20139	4.9
275.98846	0.4
277.21860	1.2
291.19653	100.0
292.20001	11.2
293.21231	77.7
293.24762	0.9
294.21579	8.3
527.28662	6.3
528.28827	1.1
529.29987	0.8
581.08990	0.5
734.41895	0.6
803.39258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57340	1.6
59.01377	4.2
61.98829	34.3
63.96208	2.6
71.01389	14.7
71.60876	2.2
74.89373	1.7
75.20247	1.7
78.95886	2.2
78.98605	10.6
79.57915	2.0
79.95740	43.7
80.96522	100.0
85.02980	5.0
87.00886	4.1
94.38644	1.8
94.98090	20.3
101.02437	5.9
106.98098	4.9
112.05920	1.9
116.92879	2.4
119.40206	1.9
122.97595	5.5
125.02411	3.6
134.97591	5.8
136.98985	2.0
148.99130	7.9
149.93391	1.8
152.98621	9.3
157.77383	1.8
164.98601	15.8
175.46977	2.0
183.13942	4.9
187.43542	1.8
206.99698	5.3
225.00737	30.5
293.20728	2.0
329.37143	2.1
341.05377	2.0
355.06931	2.5
473.62479	2.0
803.38916	95.4
804.39008	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	803.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	4.1
59.01093	5.7
59.01381	100.0
61.98818	11.2
64.72691	2.7
68.95044	2.7
69.03439	4.1
70.12879	2.4
71.01386	58.3
71.61575	2.2
71.61975	4.2
72.99303	5.3
73.02951	42.4
75.00881	2.7
83.01374	12.7
85.02959	13.6
87.00885	12.4
88.98812	5.5
89.02433	23.7
93.03448	10.2
95.01381	5.9
96.96050	7.1
97.06555	3.5
99.00896	5.3
101.02444	48.7
102.02834	3.3
103.00375	2.9
108.02172	8.9
109.02969	12.9
112.98836	13.2
113.02438	31.7
119.03487	11.1
119.05019	7.7
120.83344	2.6
121.02947	13.4
122.03800	13.1
123.04502	7.2
125.02438	3.8
131.03546	4.1
132.52814	2.6
133.02968	7.7
134.03697	8.3
135.04514	26.5
136.01654	5.1
137.02411	9.5
143.03517	9.7
145.02927	8.8
146.03696	2.5
147.04462	6.1
149.00874	8.9
149.02444	28.9
149.04568	7.2
149.06091	4.5
150.03230	86.8
151.03792	5.1
151.06038	3.4
152.01128	7.7
153.01958	3.4
159.04512	3.6
160.05278	6.5
161.02458	10.1
161.04539	19.2
161.05791	4.3
162.03220	4.3
163.04057	5.0
164.04741	8.7
165.05576	69.5
167.03502	3.2
175.04047	5.7
177.05536	4.3
179.03465	10.6
179.05682	6.8
180.04283	7.6
181.05110	3.5
189.05540	8.4
191.03499	3.6
193.04991	4.5
195.06645	37.4
204.08006	3.8
205.08525	4.9
210.04140	2.6
219.02985	6.6
236.52209	2.8
293.02942	7.0
300.02243	3.2
301.03369	4.8
311.12915	3.6
329.14163	3.3
341.02417	3.1
341.13916	9.8
343.11923	5.1
385.05637	3.9
386.81711	3.0
403.14084	4.4
411.17743	3.0
459.18134	4.6
489.19260	27.4
490.19492	8.3
503.19028	12.2
509.29855	6.6
534.21808	3.4
599.21118	4.6
651.24219	26.5
652.25214	4.6
669.25470	8.1
671.33289	3.7
693.17615	3.1
699.26306	5.8
711.26599	15.3
712.70129	2.9
759.28619	10.8
803.20856	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	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98525	0.2
71.01393	0.2
75.38654	0.1
78.95923	0.3
80.96526	0.6
116.92856	0.1
126.62135	0.1
207.10211	0.1
218.28429	0.1
272.87903	0.1
277.21878	0.3
785.38861	0.2
803.39923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98832	100.0
80.96525	0.3
102.61418	0.3
145.43813	0.2
158.48430	0.3
168.78302	0.3
170.38020	0.2
172.38622	0.3
183.41496	0.2
211.13429	0.5
277.21844	1.1
278.22021	0.3
289.18149	0.4
573.11218	0.3
685.57269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41038	0.1
59.01370	0.3
61.98823	0.3
68.24672	0.1
70.35920	0.2
70.36300	0.1
71.01389	0.1
78.33999	0.1
91.89508	0.1
99.98194	0.1
103.22424	0.1
117.72534	0.1
120.60780	0.1
131.06984	0.1
166.24040	0.1
202.76581	0.1
215.06998	0.1
255.23299	0.3
261.22192	0.3
277.21658	0.4
279.23276	100.0
280.23630	10.3
327.21826	0.1
360.84680	0.1
634.85248	0.1
712.68561	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	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.22507	0.1
76.41163	0.1
78.95909	0.3
80.96535	0.4
277.21976	0.2
299.02084	0.3
300.02487	0.2
545.51440	0.1
660.75061	0.1
739.32782	0.4
803.39484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	3.5
59.01382	39.6
61.98829	14.7
71.01385	100.0
72.01714	2.6
72.99300	3.4
73.02937	8.3
75.00881	2.2
78.95927	4.0
80.96521	1.9
82.03920	1.8
83.01373	3.1
83.05039	2.5
83.44650	1.8
85.02950	7.9
87.00875	8.6
89.02461	25.4
95.05009	2.2
97.02962	9.1
99.00851	2.8
101.02440	19.6
109.06589	22.3
112.98798	5.8
113.02467	9.6
116.92820	4.2
119.03475	8.3
125.02431	5.9
125.09726	3.2
127.00340	2.0
133.02939	2.1
135.04498	4.6
135.08159	2.7
137.02472	1.7
142.02728	3.0
143.03476	2.7
163.03929	2.4
163.11273	16.2
167.40834	1.8
171.10287	6.2
175.02502	4.7
179.03644	2.4
179.05562	6.0
181.12314	7.5
185.11876	3.1
199.09749	2.6
201.11296	7.1
207.10258	66.3
208.10577	5.9
209.11821	3.1
211.13347	2.7
225.11324	46.0
226.11804	2.3
235.08121	4.4
243.12321	4.0
253.09351	2.7
255.16240	3.0
259.15457	2.0
302.28540	2.4
361.66989	2.1
397.13525	28.4
415.14667	21.3
416.14685	1.9
428.14844	2.4
436.08578	2.0
623.25623	32.2
624.26367	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	801.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	47.5
61.98837	71.4
63.34729	7.0
71.01385	24.9
71.62503	5.2
71.62907	9.1
72.99309	8.4
73.02928	9.5
73.19524	5.4
77.49345	5.4
85.02944	8.9
87.00888	25.4
89.02467	15.1
95.01408	6.7
96.95995	7.9
101.02457	11.0
103.00357	10.7
112.98830	25.3
119.05036	13.5
121.02941	11.7
125.02493	7.8
132.00577	5.4
133.02980	6.0
135.04553	26.3
149.00908	23.1
149.06027	6.5
150.06862	39.3
161.02438	5.7
163.04027	11.8
163.07480	7.7
164.08379	11.4
175.04182	6.0
179.03535	11.8
179.10750	12.2
183.13898	13.2
189.01923	6.0
227.12834	13.6
267.19821	7.8
280.87656	5.7
327.21829	24.1
375.27237	8.1
409.08179	6.1
489.32364	10.6
507.33679	26.1
508.33493	8.6
516.03900	6.1
554.32141	6.3
640.54333	5.7
669.38629	100.0
670.39246	29.9
754.55524	5.7
801.39740	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	801.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.1
61.98819	1.0
71.01370	4.2
71.61900	1.0
73.02937	1.6
80.65820	0.5
85.02959	1.1
87.00867	1.2
89.02446	1.2
93.03457	12.4
94.03815	0.7
96.95988	0.7
96.99322	1.7
101.02436	2.5
108.02158	1.3
109.02957	1.5
112.98810	1.3
113.02448	1.9
117.03445	0.9
119.05028	37.9
120.05335	2.4
121.02924	1.0
123.04511	2.1
130.04259	0.9
131.05020	2.5
132.05766	0.8
133.02969	2.2
134.03732	1.1
135.04520	2.6
137.02405	2.0
143.05023	10.2
144.05443	0.7
145.02962	2.4
145.06566	1.1
149.00911	2.2
151.00381	0.7
152.01143	0.9
153.01961	0.8
159.04483	0.9
161.02400	0.8
161.04555	1.9
163.04007	30.7
164.04376	1.9
165.09160	1.6
166.02728	1.5
171.04488	1.1
175.03926	0.9
179.03468	2.6
181.05054	3.4
181.08609	1.1
203.03690	0.6
203.05528	1.3
211.07672	2.5
213.92003	0.6
216.52162	0.6
221.09668	0.8
223.07645	0.7
235.07642	1.7
237.09198	4.6
239.10834	1.1
265.08701	9.7
283.09796	5.4
309.07690	2.5
327.08728	100.0
328.09058	11.9
367.96936	0.7
369.19162	2.4
387.20065	0.8
417.15387	7.0
418.15558	0.8
429.21295	3.5
475.36789	0.7
656.51648	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
61.98832	4.1
66.01791	0.3
71.01382	0.9
83.01378	0.4
84.02175	0.5
85.02956	0.9
87.00873	0.8
89.02435	0.4
90.29076	0.3
93.03478	0.9
95.01383	0.3
98.04511	0.4
98.19830	0.7
101.02437	0.5
102.90743	0.4
103.00398	0.4
108.02187	1.4
109.02943	2.7
110.80038	0.4
111.00873	0.4
112.98814	1.1
113.02432	0.5
119.05034	0.8
121.02946	3.2
121.89084	0.4
122.03737	0.9
123.00883	2.1
123.04538	1.1
124.01661	1.4
125.02464	0.4
133.02951	0.6
134.03749	0.7
135.04562	2.1
136.01662	49.6
137.02513	6.8
138.03206	0.4
139.00380	0.7
139.04031	1.0
145.02956	0.6
147.04468	0.5
149.00955	0.5
149.02423	0.8
151.00400	10.7
151.04004	65.3
152.01167	2.0
152.04420	2.5
153.01945	1.4
154.02649	0.4
159.04602	0.7
160.05284	1.8
161.02484	1.2
161.06065	0.7
162.03291	0.7
163.03987	2.2
165.01920	0.7
165.05528	0.6
166.02711	31.5
167.03317	2.3
173.02457	1.0
173.06203	0.4
174.03149	0.4
175.04022	1.9
175.07637	1.8
176.04778	0.9
177.01932	2.1
177.05606	1.1
178.02777	0.5
179.03503	1.6
181.05063	48.0
182.05376	3.3
184.03772	0.4
187.04042	0.8
188.04768	0.6
189.05513	2.3
190.02769	0.6
190.06364	2.5
191.03464	2.3
191.07079	0.7
192.04152	0.6
193.05074	1.1
195.03036	0.4
203.03510	0.5
203.07047	0.6
205.05048	2.4
205.08679	1.2
206.05858	2.4
207.06563	0.8
218.05815	0.4
220.07468	1.2
221.08171	6.8
222.08553	0.5
233.08173	0.6
279.06448	0.4
282.05252	0.8
293.03174	0.5
293.08090	0.7
294.05435	0.8
297.07724	0.6
299.09283	1.1
309.07672	1.3
312.06314	0.5
324.09976	1.3
327.08780	1.4
327.12399	0.5
329.10352	2.3
339.12601	0.7
342.11115	6.3
343.11774	1.2
351.22012	0.5
356.12488	0.4
357.09656	9.2
357.13470	31.5
358.09973	1.5
358.13791	3.7
369.13409	2.4
371.11066	0.6
371.15057	2.0
372.12064	11.8
373.12555	2.5
387.14484	100.0
388.14847	13.4
401.16058	1.8
417.15948	0.5
567.22290	10.3
568.23035	2.4
579.22577	1.4
597.23407	42.6
598.23663	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	799.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01090	1.0
59.01380	16.3
61.98829	2.9
67.92789	0.6
71.01381	2.6
73.02941	0.5
79.95731	1.3
80.96517	6.4
84.03555	0.6
85.02969	1.0
87.00871	0.7
89.02452	1.8
94.98081	1.4
101.02441	2.2
113.02467	0.7
125.02431	0.7
150.98898	0.5
152.98555	0.6
161.04520	1.1
164.98618	1.0
183.13892	5.0
193.12358	1.2
197.92831	0.5
204.41510	0.5
204.82123	0.7
211.13390	100.0
212.13759	7.1
223.60030	0.5
225.00719	1.5
235.08380	1.3
253.09264	6.4
255.23123	0.6
277.21710	49.6
278.22086	5.4
328.89761	0.5
374.57220	0.6
429.21350	0.9
447.22272	7.6
448.22177	1.2
513.30573	0.7
521.05194	0.5
646.25787	0.6
707.43549	0.7
709.38538	2.7
710.38568	0.7
756.70300	0.6
781.40363	1.0
791.25574	0.5
799.42212	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	799.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01095	0.8
59.01381	15.1
61.98832	8.0
64.24063	0.5
68.76209	0.5
69.03439	0.9
70.89080	0.6
71.01384	10.0
71.62710	0.5
72.99309	2.1
73.02948	2.6
81.03437	0.5
83.01427	1.0
83.05025	0.6
84.74519	0.5
85.00273	0.5
85.02955	3.1
87.00876	1.9
88.98806	1.2
89.02442	7.2
96.95978	1.1
97.02931	0.8
97.06589	1.4
99.00880	11.2
99.04530	0.6
101.02456	4.1
109.06585	1.3
111.08154	2.4
112.98808	2.1
113.02441	3.5
119.03501	1.5
125.02464	1.5
125.09740	0.6
131.03523	1.7
135.04512	2.5
137.02388	0.8
145.02846	0.5
149.00917	1.0
149.04559	3.7
161.02441	0.7
161.04555	1.8
163.04056	0.9
165.12846	26.9
166.13217	1.7
170.30670	0.5
171.10376	0.7
179.03505	1.1
181.12390	0.6
183.13896	100.0
184.14236	7.3
191.05624	3.6
191.10832	0.6
203.05627	1.9
207.10269	2.0
209.11859	2.3
225.11342	2.1
227.12891	48.0
228.13164	3.3
233.06630	1.2
293.03113	0.8
331.24210	0.6
397.13403	0.6
503.25043	1.1
545.26099	10.8
546.26544	2.2
616.49866	0.8
623.25763	1.5
713.37933	1.1
755.38580	54.7
756.38959	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	799.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	24.0
59.01382	8.7
61.98824	1.0
67.01889	2.5
71.01382	9.0
71.62777	0.9
72.99310	1.5
73.02942	4.4
76.99847	0.5
83.01384	1.0
85.02973	3.6
87.00873	1.8
89.02470	3.1
93.03469	3.5
95.01371	0.8
97.02959	0.9
99.00889	10.2
99.04520	1.5
101.02448	11.4
103.00382	0.7
108.02155	2.3
108.05251	0.5
109.02954	7.1
112.98820	1.3
113.02444	5.0
119.05031	1.4
121.02953	15.1
122.03770	11.9
123.04555	4.5
123.05305	0.9
124.01717	1.6
125.02433	2.1
127.04436	0.6
134.03735	1.8
135.04546	4.5
136.01691	0.7
136.05310	1.3
137.02469	3.7
142.64789	0.6
145.03021	0.8
147.04553	7.0
148.05214	1.3
149.00922	2.5
149.06091	1.8
151.04054	0.6
151.73938	0.6
152.01129	3.4
153.01833	0.9
154.02762	3.6
157.77571	0.7
161.02460	1.9
161.04605	1.2
161.06039	1.9
163.04042	1.5
165.05566	30.7
166.05856	1.5
167.03499	2.4
175.03999	0.8
175.07649	0.8
175.45116	0.6
177.01866	0.8
178.06404	0.7
179.03520	1.3
179.07130	9.8
179.34996	0.6
180.07570	0.6
191.05544	1.2
191.07169	0.9
196.72845	0.7
198.21236	0.7
205.08847	0.7
221.08095	0.6
223.09686	1.4
225.04683	0.6
298.12256	1.0
301.10693	0.8
311.05029	0.7
313.14575	1.5
315.12442	2.0
343.15610	0.9
346.14200	9.1
347.14893	5.0
348.15555	0.8
361.16562	100.0
362.16907	13.9
389.15869	0.7
523.21979	1.3
565.22955	1.1
594.71521	0.7
637.25311	2.7
655.26086	56.3
656.26471	13.3
664.40021	0.8
667.22693	2.4
668.23700	0.7
697.27063	25.4
698.27325	5.4
737.30182	5.2
738.30762	2.3
799.30280	11.3
800.30530	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	799.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01377	13.5
61.98824	1.3
70.23410	1.4
70.23812	1.6
71.01387	3.9
72.99310	3.7
73.02924	1.9
78.24731	0.6
85.02944	2.6
87.00871	8.9
87.94706	0.6
89.02488	1.2
95.01397	1.8
98.19856	0.8
99.00882	1.0
101.02414	1.8
103.00372	0.9
108.02174	56.0
109.02966	18.5
112.98830	2.4
113.02472	1.0
119.05024	1.3
121.02938	1.9
123.00866	1.1
123.04540	0.8
130.99864	2.0
133.02946	1.0
134.03676	1.0
135.04530	4.9
137.02428	1.1
140.63049	0.7
147.00934	0.6
147.04526	0.9
149.00916	11.8
149.02281	1.1
150.03214	2.1
151.03922	2.2
152.01151	100.0
153.01851	5.4
161.02557	1.1
163.03992	4.5
164.04755	0.7
165.05560	1.4
175.03972	0.9
177.01897	1.0
177.05545	0.7
179.03485	2.7
193.01416	1.4
193.05014	1.0
194.71158	0.7
198.81314	0.6
205.12442	0.7
219.02946	0.7
221.08055	0.8
223.13339	1.3
235.09784	1.5
241.07042	3.0
267.04996	0.9
285.06186	2.2
293.02979	0.9
373.11472	0.7
387.14264	1.0
388.14792	1.5
389.15063	1.0
399.09320	12.9
400.09753	1.1
417.10306	12.1
418.10947	1.3
450.87289	0.7
459.11414	4.2
460.11670	0.7
593.21460	1.5
605.22473	1.2
623.23322	4.2
649.21564	4.9
650.22058	0.8
667.22418	74.5
668.22662	15.8
755.27820	1.0
799.23743	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	799.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.2
61.82763	0.6
71.60146	1.2
72.99313	2.3
87.00886	11.1
87.01419	0.7
103.00367	4.8
106.86561	0.7
112.98803	2.1
119.05035	1.9
130.99867	1.8
133.02942	1.2
134.03758	8.1
135.04532	69.9
136.04839	4.5
137.02440	1.3
149.00925	59.0
149.06081	1.2
150.01224	1.9
151.42146	0.6
161.02454	0.9
163.04056	2.1
179.03500	100.0
180.03886	4.7
193.05031	8.1
272.11124	0.7
311.04129	17.4
311.07455	0.8
312.04202	1.4
325.05688	2.9
571.63116	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.5
59.01380	14.2
61.98816	1.9
69.03448	1.0
69.64473	1.4
69.64892	2.4
71.01389	3.7
72.99313	2.6
73.02948	1.6
81.03454	0.7
83.01375	0.9
85.02951	3.3
87.00890	5.8
89.02445	1.7
93.03461	0.9
95.01392	1.4
97.02960	0.8
99.00904	1.7
99.04504	0.6
101.02441	1.4
103.00351	1.4
105.01963	0.9
107.05009	1.0
108.02178	52.4
109.02982	16.3
110.03320	0.7
112.98792	3.4
113.02447	1.7
117.40040	0.5
119.05032	2.8
121.02962	23.5
121.03841	1.2
122.02483	1.0
122.03267	1.0
123.00899	1.3
123.04512	1.3
125.02448	1.6
130.99886	0.9
133.02963	1.8
134.03723	1.9
135.04541	5.2
136.01706	1.8
137.02458	1.5
140.31175	0.6
145.02994	0.9
147.04529	0.8
148.04115	0.8
149.00909	8.6
149.04480	0.5
149.06085	1.0
150.03258	0.7
151.04007	5.2
152.01163	100.0
153.01860	5.4
161.02415	1.7
161.04622	0.7
161.06027	0.7
163.04077	3.9
165.05592	1.0
166.05080	1.4
167.03497	1.5
175.03967	0.8
177.01950	1.7
179.03456	3.4
181.05089	0.8
193.05048	1.2
205.12363	0.7
210.04129	1.4
219.03058	1.2
223.13408	1.1
241.07277	3.1
242.07802	0.6
267.05127	1.3
268.03665	1.0
269.04401	0.6
283.06100	1.6
285.06113	1.2
293.02878	0.9
309.33591	0.6
399.09290	11.9
400.09589	1.0
417.10394	13.5
418.10773	1.9
459.11517	3.9
523.14520	1.7
605.22308	1.3
623.23059	3.1
649.21344	3.2
667.22461	63.3
668.22778	13.9
755.27228	0.8
799.23352	4.8
800.23651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	27.5
59.01387	10.6
61.98820	1.4
69.40780	1.1
69.41180	3.7
71.01381	9.9
72.99303	1.5
73.02954	4.4
83.01389	1.4
83.86611	0.7
85.02954	3.8
87.00879	2.4
89.02460	3.7
93.03444	0.8
95.01392	1.0
96.96011	0.8
98.19802	1.4
99.00891	9.7
99.04520	2.6
101.02443	13.2
109.02961	1.4
112.98808	2.9
113.02460	5.3
119.05052	4.5
120.05350	1.5
121.02956	4.2
122.03756	1.2
123.00867	1.1
123.04539	2.0
123.81200	0.7
124.01651	1.4
125.02457	4.8
125.97073	0.7
131.03551	1.0
133.02954	2.2
134.03725	1.1
135.04561	5.1
136.05307	1.3
137.02440	2.4
137.06073	0.8
138.03224	0.8
143.04974	0.9
145.02942	2.3
146.03719	0.9
147.04504	4.1
149.00888	2.7
149.02435	2.8
150.03217	8.2
151.03990	0.8
158.03758	2.4
159.04504	10.6
160.05299	32.6
161.02470	6.3
161.04655	1.0
161.06055	9.5
163.04001	9.5
164.04829	6.2
165.05476	1.2
173.06061	3.6
175.03941	2.5
175.07642	28.9
176.07959	1.7
177.01981	0.6
177.05574	8.5
178.06345	9.8
179.03484	3.4
191.03461	0.7
191.05611	0.7
192.07915	1.8
193.08730	3.2
195.06659	0.8
241.05087	0.7
293.08780	0.8
314.11658	1.0
315.12360	3.3
329.13937	100.0
330.14255	10.4
334.29337	0.6
359.15015	6.7
360.15390	0.8
395.08411	0.7
503.12302	1.1
521.20203	1.4
549.23309	1.0
591.21246	0.9
635.23566	6.0
636.23407	0.9
653.24524	53.3
654.24823	11.7
674.89117	0.8
695.25531	24.1
696.25751	4.7
735.28827	5.5
736.29059	1.5
797.28564	11.8
798.29120	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	798.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
59.76028	0.1
61.98831	100.0
62.98536	0.2
71.01358	0.1
72.33089	0.1
78.95918	0.1
80.96510	0.2
82.69883	0.1
98.19889	0.2
112.22320	0.1
116.92908	0.1
171.10304	0.2
173.92705	0.1
223.09648	0.1
223.13347	0.2
224.13748	0.1
277.21799	0.5
786.43750	0.1
798.43854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00401	0.5
58.00589	1.7
59.01378	34.2
65.61135	0.5
71.01384	20.0
72.99310	4.7
73.02947	0.7
77.92536	0.5
80.39496	0.5
83.01410	1.2
85.02965	3.8
87.00883	6.1
89.02442	23.2
95.01370	1.5
98.20670	0.9
101.02444	13.1
102.02777	0.6
103.00384	2.9
109.02972	1.6
112.98827	0.6
113.02457	8.5
115.00368	2.1
119.03514	10.2
119.05013	16.0
120.03851	0.8
120.05371	1.1
121.29426	0.5
130.99843	1.6
131.03529	0.8
133.01434	6.1
134.03676	0.7
135.04530	9.8
136.04846	0.7
143.03471	1.1
149.00914	29.3
149.04662	0.9
149.06088	1.8
161.06079	0.6
161.08179	0.6
163.04008	24.1
164.04327	1.0
167.03447	1.0
168.91597	0.4
171.04541	0.6
177.01918	0.6
179.03502	7.5
179.05658	1.1
180.03773	0.7
189.05637	2.5
193.05026	1.0
207.06656	1.6
221.04643	0.7
231.06615	1.0
235.06018	0.6
239.05597	1.2
256.13123	0.5
295.04572	7.6
311.03986	0.8
323.13455	100.0
324.13809	8.4
339.07312	1.1
341.08960	0.7
370.12012	0.5
413.10883	1.8
472.15924	0.9
473.13147	1.6
570.10486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71680	2.9
57.03430	4.7
57.43344	3.3
59.01377	100.0
61.77659	2.9
61.98824	6.5
65.44738	2.6
71.01379	12.4
72.99315	8.8
73.02930	7.1
85.02925	4.5
87.00876	43.0
89.02463	7.8
90.91209	2.9
96.96007	3.6
98.19794	6.2
99.00896	5.4
101.02462	5.4
103.00372	50.9
105.03460	3.9
109.02961	5.8
112.98801	25.1
113.02469	7.1
119.05014	4.8
121.02983	4.2
123.04504	3.7
130.99861	44.7
133.02977	12.1
134.03770	20.3
135.04515	31.3
136.01604	3.1
136.04846	4.5
137.02434	7.8
145.02962	3.4
147.04509	3.4
149.00919	18.7
151.03952	4.2
161.02432	11.2
161.04562	3.1
162.03210	7.2
163.04037	8.8
164.04729	3.9
171.10217	4.3
177.01912	4.7
178.02684	15.0
179.03456	19.7
179.07034	3.0
195.06584	3.7
209.11819	6.7
219.02985	4.9
227.12868	5.8
231.10297	9.3
253.32918	2.9
256.03519	3.0
275.09229	56.2
275.11951	4.7
276.09732	4.6
281.04501	6.9
293.03128	12.3
313.27310	3.1
330.07767	3.0
341.11420	3.1
369.13562	3.8
407.09506	16.2
665.35590	5.4
730.15100	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	797.267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24036	3.7
59.01385	28.7
61.98830	27.8
68.00217	4.4
69.99902	20.6
71.01388	16.8
78.95908	3.8
85.02948	4.2
87.00862	6.6
89.02489	4.5
96.96033	4.4
98.20647	5.1
101.02456	9.6
103.00349	4.6
112.98828	16.6
116.92831	4.7
119.04993	5.0
121.02870	3.8
121.79975	4.6
125.02446	6.7
134.03749	8.3
135.04526	19.2
145.89012	4.4
146.03743	25.9
149.00931	13.3
150.03241	9.2
161.02481	9.6
161.06126	5.0
163.04030	7.6
164.04816	14.8
165.05565	6.4
175.03932	5.0
179.03423	4.6
179.07150	17.1
183.13995	5.2
183.65059	3.9
190.27220	4.7
204.07852	4.7
205.08607	6.2
217.08688	6.5
229.08498	5.0
285.03992	13.4
300.06497	8.9
337.09799	4.1
354.11099	42.1
355.11435	4.4
369.13397	100.0
370.13733	18.7
385.16187	4.4
425.58649	4.1
479.24670	4.4
480.21310	4.6
481.28088	6.1
503.33463	6.2
531.19733	9.0
549.21033	7.0
573.19702	19.7
574.20007	6.0
635.02747	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	797.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01122	3.4
59.01365	18.4
61.98829	15.3
65.47921	3.7
67.00036	4.3
71.01383	6.3
71.62309	4.6
73.02950	3.7
75.74976	3.1
77.57180	3.0
78.95938	3.6
85.02949	3.8
87.00864	6.3
88.98814	6.9
89.02460	3.2
95.01399	3.2
96.35148	3.3
96.96011	5.8
99.00902	3.8
101.02509	3.0
112.98791	10.8
125.02457	4.4
134.03781	6.2
135.04587	17.6
137.02536	4.9
141.26227	3.3
145.03038	4.0
146.03720	20.9
147.04524	4.0
149.00932	7.1
149.06015	3.7
150.03239	10.3
161.02457	6.1
161.06108	9.7
162.03271	5.2
163.04131	4.4
164.04803	15.4
178.02687	4.1
179.07185	15.1
204.07866	4.9
217.08665	4.9
219.10202	4.0
229.08635	7.2
285.04092	11.7
289.17880	3.9
297.41290	4.3
299.05701	5.6
300.06506	10.8
311.05701	4.9
354.11093	39.9
355.11371	6.7
369.13416	100.0
370.13739	15.8
497.02554	3.7
531.20270	7.1
549.21271	13.6
573.19934	24.0
753.26709	9.7
797.44666	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	797.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01982	2.3
58.88591	2.6
59.01377	32.6
61.98832	20.5
69.49342	18.8
71.01380	16.5
72.99315	8.0
73.02937	7.3
85.02966	6.5
87.00874	14.1
88.98782	4.5
89.02456	6.8
89.35997	2.2
93.03474	3.3
94.03005	2.3
95.01398	3.6
96.96005	5.5
97.02901	2.9
99.00877	4.7
101.02448	10.4
103.00387	4.1
106.04234	2.2
108.02201	3.0
109.02937	5.7
112.98816	26.1
113.02439	6.8
113.38461	2.3
116.92838	5.2
119.05002	12.1
121.02980	6.2
123.04488	2.6
124.01635	7.7
125.02459	4.5
130.99768	3.6
133.02953	4.5
134.03807	5.2
135.04524	32.8
136.01700	4.5
136.07684	4.2
137.02431	11.0
138.03230	7.2
139.00325	3.1
139.03996	5.7
140.17923	2.4
145.02904	5.7
147.04532	3.9
148.05247	2.4
149.00920	14.0
149.02399	5.0
149.06108	3.6
150.03226	59.1
151.03987	13.3
152.01158	6.1
152.04726	5.4
161.02412	11.2
163.03996	17.7
164.04729	9.6
165.05580	40.5
166.06006	3.4
167.03484	3.1
175.04039	4.8
176.04720	3.4
177.01921	5.5
177.05559	6.0
177.09193	4.0
178.02664	4.2
179.03539	18.7
179.06947	4.3
179.08328	6.1
182.08737	2.8
187.07674	2.9
188.04747	2.6
189.05664	2.8
191.03586	3.6
191.05489	2.8
191.07120	5.8
193.05022	5.2
193.08725	4.9
195.06665	3.9
199.07642	3.5
203.07204	4.9
205.08694	9.7
206.08264	2.6
207.08568	2.8
209.08162	10.4
217.08679	8.7
219.03012	6.8
221.08229	21.8
231.10152	2.5
235.09747	56.7
236.10016	7.2
269.04385	2.7
293.03040	6.5
302.85257	2.7
387.14514	100.0
388.14786	19.3
389.15173	4.0
435.40408	2.5
531.18518	5.0
549.19568	37.7
550.19849	7.2
591.20886	76.5
592.21027	19.2
593.21655	5.3
753.26416	8.6
798.29633	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	797.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.7
61.98815	3.4
71.01373	3.8
71.63070	1.2
72.99335	1.2
73.02956	1.9
83.01377	1.3
83.05016	2.0
85.02938	2.1
87.00891	3.7
88.98810	2.4
89.02439	2.1
94.55735	1.1
96.96024	1.9
99.00904	1.8
99.92525	1.1
101.02415	2.1
109.02962	2.8
112.98820	5.9
113.02405	2.4
119.05009	2.9
121.02962	2.2
123.04488	4.3
124.01690	5.2
125.02454	1.7
128.15794	1.2
129.32217	1.1
130.99756	1.1
133.02954	2.5
134.03769	2.3
134.45734	1.0
135.04552	7.8
136.01654	3.5
136.04897	1.1
137.02414	6.4
137.06075	1.9
138.03255	9.1
138.05623	1.5
139.04037	5.3
145.54828	1.1
147.04506	1.9
149.00888	3.7
149.02438	3.5
149.06081	2.0
150.03230	52.9
151.04025	5.9
152.01161	1.7
152.04752	3.8
158.34930	1.0
159.04492	1.2
161.02443	3.3
163.04019	8.0
164.04782	9.2
165.05585	36.5
166.05949	2.5
171.29314	1.0
173.06070	1.8
175.04016	1.8
175.07623	1.8
176.04749	2.3
177.01939	1.2
177.05522	3.6
177.09233	2.9
178.06319	3.1
179.03517	4.8
179.07100	3.8
179.10732	1.2
189.05579	2.7
189.09164	1.9
191.07158	4.4
192.07880	2.7
193.05023	1.9
193.08679	3.8
202.06371	2.0
203.07146	3.4
204.07852	2.1
205.08656	10.0
206.05780	1.8
206.09192	1.3
209.08180	7.6
217.08678	7.8
219.02960	1.6
220.07370	1.7
221.08192	18.9
222.08650	2.9
233.08162	2.5
235.09750	62.6
236.10088	4.8
247.09680	2.2
269.75952	1.1
287.05603	2.2
293.03058	2.0
302.07941	4.8
311.09180	2.3
317.10519	1.3
354.10989	2.4
355.11536	1.2
369.13391	3.6
386.13684	1.2
387.14502	100.0
388.14816	12.7
472.86658	1.2
473.87021	1.3
531.18469	3.6
532.19464	1.3
549.19739	45.2
550.20306	9.2
591.20862	73.1
592.21002	16.1
635.21973	2.3
665.38580	1.6
751.22034	1.2
753.26251	4.9
754.26617	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	797.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	20.0
61.98824	6.1
71.01380	9.1
72.99313	2.9
73.02945	4.3
78.53196	1.6
83.01415	2.4
83.05035	2.6
85.02966	2.8
87.00869	6.5
87.36271	1.7
88.98775	3.3
89.02439	4.5
95.01419	1.7
96.96003	2.0
99.00863	2.3
99.35371	1.6
101.02456	4.0
103.00372	3.5
107.05005	2.0
108.02174	1.5
109.02972	3.7
112.98827	10.0
113.02434	4.1
116.92830	2.5
117.05486	1.6
119.04999	4.7
121.02940	2.6
123.01002	1.9
123.04521	3.3
124.01666	8.1
125.02467	3.0
128.03632	1.6
133.02962	1.9
134.03725	4.3
135.04527	15.5
136.01692	4.4
137.02431	10.4
138.03256	14.5
139.04016	7.9
143.38576	1.7
145.02885	2.1
147.04556	2.7
149.00905	8.6
149.02455	5.5
149.06036	4.7
150.03227	75.5
151.03932	7.1
152.04846	3.4
158.03787	2.1
160.03998	1.7
161.02443	8.0
161.04572	2.9
161.06010	2.4
163.03963	11.2
163.07666	1.8
164.04813	16.0
165.05576	52.9
165.09177	2.5
166.05898	2.4
173.06061	3.2
175.04002	4.7
175.07733	1.6
176.04755	2.3
177.05547	6.4
177.09119	2.4
178.02722	3.5
178.06313	5.4
179.03514	7.1
179.07153	8.9
185.06163	2.4
187.04025	3.1
187.07762	1.9
188.04758	2.8
189.05573	5.7
189.09236	2.1
190.06400	3.4
191.07138	7.2
193.05122	4.3
193.08659	4.6
199.07599	2.2
200.04910	1.5
201.05484	2.5
202.06392	2.4
203.07127	5.0
205.08670	14.8
206.05830	3.7
207.06676	2.3
207.10176	2.2
209.08176	13.5
215.07085	2.1
217.08653	7.0
220.07472	3.9
221.08214	23.2
222.08640	2.4
229.08562	3.1
235.09752	80.7
236.10078	6.1
244.07268	1.7
247.09917	3.6
287.05701	2.5
293.03058	3.5
302.07965	6.5
305.95419	2.1
327.21829	3.2
354.11093	2.3
357.12863	1.6
369.13379	3.8
385.12396	1.9
386.13828	1.8
387.14496	100.0
388.14893	14.0
503.21161	2.5
531.18707	5.9
549.19806	54.6
550.20380	8.0
560.27319	2.0
591.20807	71.0
592.21185	13.7
654.57788	1.8
753.26001	44.6
753.38995	3.6
754.26691	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	797.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.5
67.80635	0.4
69.82623	2.4
71.01385	1.2
72.99295	0.7
73.02931	0.4
75.00887	2.5
75.01234	0.4
77.84689	0.4
80.65881	0.4
80.88653	0.5
81.03449	0.6
83.74374	0.4
87.00879	2.8
89.02444	0.9
89.03962	1.5
93.03430	0.4
96.96029	0.6
98.20610	0.5
101.02470	0.6
103.00389	2.5
105.03458	3.0
109.02968	0.6
112.98782	0.8
113.02469	0.4
119.05022	2.7
121.02947	0.6
130.99881	1.3
133.02954	8.1
134.03763	5.3
135.04552	2.2
137.02402	0.8
143.03500	1.1
149.00909	1.8
149.02364	0.7
149.06107	1.2
161.04494	0.6
163.04024	3.9
176.00989	0.5
177.01924	100.0
178.02327	6.7
179.03516	1.2
179.05602	12.0
180.05916	0.5
193.05070	13.7
194.05450	1.3
318.28714	0.4
323.13437	1.3
325.05609	2.4
325.09280	1.1
363.66351	0.4
471.11420	10.4
472.11642	1.7
663.23895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
58.00576	1.7
59.01383	26.6
61.98833	6.5
68.99802	2.3
69.79256	3.1
70.90890	0.5
71.01386	27.6
72.99307	3.5
73.02940	2.0
73.31543	0.5
75.00877	14.3
83.01392	2.5
85.02958	15.8
87.00879	4.2
88.98812	1.2
89.02454	13.1
95.01385	6.5
96.96012	0.9
99.00880	13.8
101.01776	0.7
101.02448	14.4
109.02850	0.5
112.01657	0.7
112.98839	2.8
113.02454	12.9
115.00342	0.7
116.92842	0.5
118.15666	0.5
119.03486	2.4
119.05038	0.9
125.02476	0.6
127.00320	0.6
129.77815	0.5
131.03516	0.6
133.03053	0.6
135.04532	2.2
137.02428	0.7
139.00375	1.0
149.00929	1.0
157.01389	1.5
161.04564	1.8
163.03993	0.6
163.11551	0.6
179.03508	1.1
187.31647	0.7
216.28613	0.6
277.03461	0.6
324.97446	0.5
354.93652	0.6
465.20502	0.6
467.91937	0.6
747.07458	0.7
795.45374	100.0
796.45679	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	795.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
58.00586	2.0
59.01379	33.2
61.98829	2.6
68.99815	2.1
69.35040	4.9
71.01385	29.5
71.80101	0.5
72.01704	0.6
72.99310	3.8
73.02949	3.2
75.00871	17.0
78.95900	3.7
83.01395	3.9
85.02948	12.7
87.00879	3.9
88.98772	0.6
89.01909	0.8
89.02445	13.7
90.02763	0.6
95.01387	6.3
96.96043	0.5
96.96953	0.6
97.02959	0.7
97.20509	0.5
99.00234	0.9
99.00880	13.6
101.02442	16.2
103.00356	0.7
109.02954	0.6
111.00871	0.5
112.01658	1.0
112.98808	3.7
113.02451	11.4
115.00391	0.6
119.03503	2.8
119.05009	1.9
125.02407	0.9
134.03734	0.5
135.04521	2.1
137.02425	0.5
139.00334	0.9
143.03375	0.5
149.00919	1.3
149.04564	0.6
150.03163	0.5
157.01366	1.8
161.02377	0.8
161.04536	1.8
163.04034	1.0
163.07645	0.8
165.05511	0.8
177.01772	0.6
179.03482	1.6
179.05676	0.7
187.04256	0.6
193.08580	1.0
205.09319	0.5
219.02989	0.7
267.16095	1.0
283.05502	0.5
293.02921	0.9
380.89682	0.5
406.31198	0.5
437.34296	0.6
455.35245	1.9
517.30017	0.7
525.39227	1.2
535.73785	0.5
561.27716	0.5
596.26276	0.5
751.32764	0.9
795.45349	100.0
796.45636	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	795.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
60.55345	0.1
61.98830	1.6
69.98308	0.3
69.98710	0.4
71.01423	0.1
73.02942	3.6
74.68867	0.1
75.00864	0.3
77.42040	0.1
78.95923	0.2
99.00874	0.8
99.92581	11.5
100.92587	0.8
103.13094	0.1
114.93423	0.5
115.00314	0.1
116.92857	100.0
116.97239	0.6
117.01933	7.5
117.02780	0.2
117.03191	0.1
117.92863	6.0
326.95053	0.1
386.45782	0.1
386.50708	0.1
397.13715	0.2
575.41516	0.1
663.09613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
58.00585	1.8
59.01385	32.8
59.25959	0.4
61.98833	0.5
68.99809	1.7
71.01389	29.7
72.01716	0.5
72.99314	2.7
73.02956	1.9
75.00877	14.3
79.26891	0.3
83.01381	3.2
85.02961	10.4
86.00098	0.5
87.00891	3.2
89.02452	14.7
95.01396	4.5
97.02937	0.8
99.00893	12.3
101.02456	14.9
102.02818	0.4
111.00884	0.4
112.98831	0.4
113.02467	10.0
115.00426	0.4
119.03511	2.3
122.18562	0.4
125.02486	0.8
131.03529	0.8
143.03517	0.5
157.01445	1.2
161.04579	1.3
163.03935	0.5
183.48340	0.4
219.02954	0.5
230.11363	0.7
293.03040	0.4
439.32181	0.6
455.35254	3.4
456.35547	0.7
525.39563	2.2
661.37598	0.5
795.45386	100.0
796.45734	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	795.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	23.8
58.03777	0.6
59.01383	8.1
59.42344	0.6
61.98838	0.9
65.41133	0.5
69.03479	0.7
70.50690	2.0
71.01385	9.6
72.99255	0.6
73.02948	5.4
81.03439	0.7
83.01383	1.9
85.02959	3.2
87.00874	1.6
89.02450	3.7
92.28988	0.5
93.03467	0.7
95.01385	0.7
98.19850	0.6
99.00883	10.1
99.04527	3.2
99.92580	4.4
101.02446	12.5
108.02171	1.4
109.02959	1.5
112.98786	1.0
113.02467	5.0
116.92862	54.0
117.01958	1.2
117.67934	0.5
117.92881	2.4
119.04991	0.8
121.02965	2.4
122.03767	1.5
123.00901	0.7
125.02463	3.1
131.03488	1.0
134.03743	1.3
135.04561	2.5
136.01662	65.9
137.02342	2.5
143.03479	0.9
145.02968	0.8
147.04492	0.7
149.00951	1.3
149.06136	1.0
150.03191	0.6
151.04007	100.0
152.04343	4.4
156.55156	0.6
159.04510	1.6
160.05257	1.5
161.02457	1.3
161.04549	1.8
162.03203	0.6
163.03999	2.2
165.05527	0.7
175.04016	2.0
175.06383	0.5
175.07605	2.7
176.04765	2.7
177.02032	1.0
177.05527	1.5
179.03534	2.7
190.06334	0.7
191.03619	0.6
191.05548	1.2
191.07137	2.6
193.04939	0.9
193.08755	0.7
195.06673	0.7
203.07025	0.6
279.06503	0.6
293.03070	1.0
327.12372	6.9
328.12811	0.9
339.12204	4.3
342.11060	5.0
343.11832	1.8
357.13428	49.1
358.13791	6.2
517.21832	0.6
565.67505	0.6
594.88727	0.6
633.21674	3.5
634.22058	0.9
651.22913	52.9
652.23248	12.0
693.24017	22.5
694.24268	6.0
733.26984	4.7
734.27228	0.6
795.27039	9.5
796.27295	3.0
813.23254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	23.8
58.03777	0.6
59.01383	8.1
59.42344	0.6
61.98838	0.9
65.41133	0.5
69.03479	0.7
70.50690	2.0
71.01385	9.6
72.99255	0.6
73.02948	5.4
81.03439	0.7
83.01383	1.9
85.02959	3.2
87.00874	1.6
89.02450	3.7
92.28988	0.5
93.03467	0.7
95.01385	0.7
98.19850	0.6
99.00883	10.1
99.04527	3.2
99.92580	4.4
101.02446	12.5
108.02171	1.4
109.02959	1.5
112.98786	1.0
113.02467	5.0
116.92862	54.0
117.01958	1.2
117.67934	0.5
117.92881	2.4
119.04991	0.8
121.02965	2.4
122.03767	1.5
123.00901	0.7
125.02463	3.1
131.03488	1.0
134.03743	1.3
135.04561	2.5
136.01662	65.9
137.02342	2.5
143.03479	0.9
145.02968	0.8
147.04492	0.7
149.00951	1.3
149.06136	1.0
150.03191	0.6
151.04007	100.0
152.04343	4.4
156.55156	0.6
159.04510	1.6
160.05257	1.5
161.02457	1.3
161.04549	1.8
162.03203	0.6
163.03999	2.2
165.05527	0.7
175.04016	2.0
175.06383	0.5
175.07605	2.7
176.04765	2.7
177.02032	1.0
177.05527	1.5
179.03534	2.7
190.06334	0.7
191.03619	0.6
191.05548	1.2
191.07137	2.6
193.04939	0.9
193.08755	0.7
195.06673	0.7
203.07025	0.6
279.06503	0.6
293.03070	1.0
327.12372	6.9
328.12811	0.9
339.12204	4.3
342.11060	5.0
343.11832	1.8
357.13428	49.1
358.13791	6.2
517.21832	0.6
565.67505	0.6
594.88727	0.6
633.21674	3.5
634.22058	0.9
651.22913	52.9
652.23248	12.0
693.24017	22.5
694.24268	6.0
733.26984	4.7
734.27228	0.6
795.27039	9.5
796.27295	3.0
813.23254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.4
59.01383	19.1
61.98832	5.5
68.99790	0.7
71.01392	7.6
71.39236	1.0
72.99312	1.7
73.02947	2.7
75.00866	0.6
75.53452	0.6
81.03439	1.8
83.01389	3.2
83.05042	1.4
84.18200	0.6
85.02957	2.2
87.00873	4.8
88.98813	0.9
89.02483	3.7
93.03480	0.7
95.01380	1.2
96.96001	1.7
99.00878	2.3
101.02436	4.9
107.05013	0.8
107.08663	1.5
109.02953	1.8
109.06599	5.0
111.00878	1.5
112.98807	7.9
113.02470	3.6
116.92907	0.7
119.03487	0.7
119.05039	2.3
121.02956	1.5
122.03767	0.7
123.04519	0.9
124.01668	11.7
125.02447	2.0
125.06146	0.7
125.09737	5.6
127.00350	1.4
130.99844	1.0
133.02972	2.7
133.06618	0.7
134.03754	1.2
135.04535	13.8
136.04854	0.7
137.02472	5.1
138.03146	0.8
139.00377	0.8
139.03984	1.0
143.03485	0.9
145.02945	0.8
147.04514	0.7
148.01648	1.1
149.00911	4.2
149.02426	1.2
149.04507	1.1
149.06107	0.8
149.09724	9.0
150.03223	4.2
151.04036	0.8
151.07654	7.1
152.01099	0.7
153.01953	0.7
159.04576	0.8
161.02473	4.4
161.04578	1.8
161.09740	1.1
163.04022	3.4
163.07680	0.9
165.01947	1.0
165.05560	1.1
175.04047	0.8
176.01140	2.5
177.01907	1.7
177.05548	1.0
178.02692	0.8
179.03503	7.1
179.07088	0.8
189.09219	0.9
191.03532	3.8
191.07133	0.8
193.05074	2.1
193.08705	100.0
194.09044	6.8
203.03535	1.0
205.08694	1.2
207.10323	1.4
217.08679	4.2
219.03001	5.2
223.06174	1.0
223.13454	2.8
231.03041	1.3
235.09798	2.4
245.08089	0.8
251.12964	0.8
253.18356	0.7
267.65479	0.6
293.03049	8.9
293.11996	0.7
294.03485	1.2
367.24356	0.8
383.11450	1.0
385.12772	3.0
397.14960	1.4
427.14429	0.7
436.90924	0.7
451.67142	0.7
501.23242	5.2
502.26880	3.5
545.26440	1.0
547.18195	25.8
547.31647	1.6
548.18585	4.5
589.19025	10.5
590.19788	2.4
631.36627	1.2
633.24445	1.5
634.27032	0.9
648.28210	0.6
649.38452	1.9
663.34424	1.7
691.38806	0.9
709.40710	0.9
751.24762	2.8
778.61780	0.7
795.36914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4423
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03453	0.7
59.01368	1.2
61.98843	2.0
63.96235	1.7
69.03472	1.0
71.01387	11.3
71.36770	0.8
72.01734	0.7
73.02946	1.9
78.95906	2.1
78.98598	8.0
79.95742	14.5
80.96519	98.3
81.03465	0.8
81.95306	1.0
82.88286	0.6
82.96106	4.0
85.02967	2.7
87.00909	3.2
94.98092	20.8
96.75883	0.5
96.96022	2.0
96.97674	1.2
97.02972	1.7
99.00864	1.1
101.02443	2.8
106.98093	4.5
107.53273	0.6
122.97572	5.0
125.02451	4.4
127.04008	0.9
134.97603	6.0
136.99132	2.0
148.99162	7.2
149.36299	0.5
152.98627	7.4
159.92078	0.7
164.98625	15.9
165.12798	0.7
166.98257	0.7
183.13835	2.6
191.55815	0.6
196.89493	2.3
206.99704	3.0
225.00742	25.8
226.01057	1.0
227.00243	1.2
234.01309	0.5
255.23486	0.8
283.26324	2.7
284.26846	1.0
347.60852	0.6
509.17096	2.8
531.47534	0.6
565.31036	0.6
621.72754	0.7
719.85419	0.7
793.43982	100.0
794.44342	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	793.4413
Annotation	A 77003
Peak:m/z	Relative Intensity
59.01392	0.7
63.96236	1.9
67.48234	0.4
69.03442	1.1
71.01381	8.6
72.99269	0.4
73.02949	2.2
78.95914	0.5
78.98593	7.0
79.14124	0.5
79.95738	16.7
80.96516	92.8
81.03466	1.1
81.10917	0.5
85.02944	2.6
87.00872	3.1
94.98086	19.6
96.96007	1.1
97.02962	1.8
99.00869	0.6
99.04537	0.6
101.02429	3.0
106.98081	3.1
113.02446	0.6
120.35998	0.5
122.97580	4.4
125.02448	4.2
127.04012	1.4
134.97566	6.3
136.99136	2.0
148.99142	8.2
152.98630	8.6
164.98621	16.4
165.00009	0.8
167.00191	0.6
183.13870	3.7
193.68906	0.6
206.99680	4.4
214.99156	0.5
225.00737	24.5
226.01073	0.7
283.05057	0.5
283.26324	2.4
343.76315	0.5
360.31891	0.6
509.17096	2.7
565.31055	0.8
793.44110	100.0
794.44360	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	793.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
61.98830	1.3
63.96246	1.7
66.34975	0.6
69.03467	0.8
71.01385	9.5
73.02946	1.8
77.77950	0.6
78.98586	7.6
79.95740	16.9
80.96516	100.0
82.96108	1.0
85.02941	2.8
87.00871	3.9
89.53783	0.6
94.98087	20.7
96.96019	1.8
97.02952	1.8
98.20686	1.1
99.00909	0.9
101.02420	3.2
106.98103	4.5
116.53844	0.7
122.97566	3.6
125.02455	4.2
127.04017	0.8
134.97586	8.5
136.99149	2.4
148.99150	9.4
152.98607	7.9
163.78947	0.7
164.98631	18.3
176.98563	0.7
183.13934	3.8
206.99644	3.0
225.00748	26.5
226.01138	0.9
283.26434	2.2
509.16797	1.8
565.30939	0.9
679.13684	0.8
793.44000	96.1
794.44409	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	793.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	24.5
61.98830	15.4
71.01381	29.7
71.61113	6.0
72.61229	4.7
78.95888	6.0
89.02441	6.8
97.02959	4.8
101.02439	5.6
109.06633	5.5
113.02470	4.5
116.92852	5.6
119.03449	6.1
147.59575	4.4
150.67300	4.6
151.73294	5.0
171.10257	47.0
171.72523	5.1
174.56419	5.3
199.09772	34.5
201.11320	49.3
202.11774	6.3
207.10294	28.5
225.11368	28.3
235.08336	5.1
245.04411	6.2
253.09300	19.5
277.21725	100.0
278.22168	14.6
288.27838	5.1
319.36417	4.9
435.18927	5.8
461.20273	13.7
580.21637	4.8
621.27191	13.7
695.40045	11.0
721.41766	8.4
739.42444	7.0
757.43524	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	793.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.7
59.01384	14.2
61.98820	4.3
71.01388	21.6
71.61887	2.0
73.02930	1.8
85.02936	1.6
85.44570	1.6
89.02441	2.9
97.02941	1.8
99.00858	3.5
100.84050	1.8
101.02444	5.1
106.44626	1.6
109.06599	4.2
113.02463	4.2
125.09715	2.8
141.40028	1.8
149.04500	1.7
161.04565	2.3
163.11256	2.8
166.81248	1.7
171.10263	24.3
181.12384	3.4
199.09760	21.3
199.13448	4.0
201.11337	29.2
202.11736	2.3
207.10242	15.9
223.13341	5.7
225.11305	25.9
226.11671	1.9
235.08212	9.2
243.12335	3.1
253.09265	16.5
277.21707	100.0
278.22086	13.6
285.07681	2.0
291.19684	7.7
313.45239	1.8
335.16492	2.1
363.35446	2.0
417.17593	2.2
435.18726	2.8
461.20074	7.4
508.83545	2.0
695.39984	5.9
696.40930	2.5
721.41742	6.4
722.42181	4.1
726.65387	1.8
739.42822	3.8
757.43658	6.5
758.43848	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	793.4381
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03445	1.4
58.00588	1.1
59.01098	1.3
59.01383	22.4
60.35799	0.6
61.98832	5.1
63.64960	0.8
68.99821	1.2
71.01386	21.6
72.01740	0.8
72.99291	2.7
73.02931	4.3
75.00881	13.5
78.95896	1.2
80.96515	1.5
83.01382	2.3
85.02952	7.8
87.00867	3.0
88.98789	0.9
89.02452	10.6
95.01405	3.6
99.00885	12.7
99.92580	6.5
101.02446	8.4
112.01627	1.0
113.02442	6.6
115.00341	0.8
115.06060	0.9
116.92861	62.7
116.97228	2.0
117.01969	3.7
117.92105	0.9
117.92869	4.3
119.03490	1.6
135.04526	1.5
157.01422	1.3
169.90025	0.8
300.62964	0.8
348.64212	0.9
430.23563	0.8
453.33984	4.1
455.35498	4.3
523.37830	4.4
569.38104	3.8
587.40070	1.0
613.37201	3.6
614.38391	1.4
793.43744	100.0
794.44037	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	793.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98829	2.3
63.96245	1.4
69.03448	0.8
71.01384	11.1
71.41756	0.7
71.42091	0.7
73.02951	2.7
76.56518	0.6
78.98589	7.9
79.95742	17.6
80.96521	100.0
81.03468	1.3
82.96129	0.6
83.01421	0.8
85.02947	2.6
85.96431	0.6
87.00874	3.4
94.98090	23.4
95.48031	0.6
96.96027	1.6
97.02946	1.7
101.02451	3.0
106.98077	4.8
113.02412	0.7
122.97584	4.9
125.02431	4.6
127.04015	1.3
134.97585	7.6
136.99146	2.6
148.99156	6.9
152.98621	8.6
155.92815	0.6
164.98627	16.9
183.13893	3.4
206.99686	3.0
225.00740	28.2
226.00906	0.8
277.58783	0.6
283.26401	2.6
410.25293	0.7
509.17166	3.1
565.30560	1.0
568.97131	0.7
793.44122	95.8
794.44446	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	793.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
61.98827	1.3
65.70518	0.2
71.01370	0.3
71.22340	0.3
71.22664	0.2
73.02943	4.4
75.00118	0.2
75.00885	0.3
80.96520	0.4
99.00887	0.9
99.92581	11.6
100.92582	0.8
114.93443	0.5
116.92861	100.0
116.97219	1.9
117.01942	7.0
117.05500	0.3
117.92870	6.7
171.10262	0.2
277.21661	0.2
293.21204	0.2
415.30991	0.2
517.52869	0.2
562.20972	0.2
677.27502	0.2
793.52448	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	793.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98833	0.8
69.65303	0.7
71.01374	0.2
73.02947	6.9
75.00878	0.3
76.42954	0.1
80.96534	0.2
81.76089	0.1
87.00876	0.2
88.98830	0.1
89.02474	0.2
99.00873	1.4
99.92581	11.7
100.92599	0.5
101.02435	0.1
104.97655	0.1
114.93449	0.5
116.92860	100.0
116.97218	0.8
117.01936	11.0
117.05591	0.2
117.92867	6.6
118.02264	0.3
118.05050	0.1
139.16618	0.1
145.56487	0.1
258.36899	0.1
260.48291	0.1
277.21573	0.2
346.43887	0.1
397.13309	0.3
399.14142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
61.98830	5.0
63.96223	2.1
69.40572	2.1
69.40989	5.3
71.01391	8.8
73.02942	2.3
77.46505	0.8
78.95909	1.3
78.98590	8.7
79.95738	18.3
80.96517	100.0
81.03464	0.9
85.02954	3.6
87.00869	3.6
94.98087	23.2
95.01339	1.0
96.95999	2.3
97.02949	2.0
101.02415	2.1
106.98083	3.8
114.48697	0.8
121.50649	0.9
122.97575	5.0
125.02435	3.6
127.03996	1.8
134.97601	8.2
136.99178	1.4
148.99156	7.4
152.98596	8.3
152.99608	1.2
164.97278	1.2
164.98625	19.0
167.00186	0.9
183.13853	2.6
206.99669	3.0
225.00732	23.7
226.00975	0.9
277.09738	1.1
279.23392	2.0
441.92639	0.9
510.17404	0.9
561.27313	1.3
789.40985	89.4
790.27045	1.8
790.41272	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	791.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75357	0.6
58.03133	0.7
61.98830	3.4
63.96235	2.4
69.03448	1.1
69.43968	5.0
71.01379	9.5
73.02935	1.5
78.95914	1.2
78.98598	6.9
79.95737	16.2
80.96517	86.9
81.03452	1.0
85.02950	2.7
87.00900	3.1
89.79719	0.6
94.98087	17.8
95.01405	0.6
96.95985	1.0
97.02950	2.2
99.00892	0.7
101.02450	2.4
106.98098	4.9
122.97576	4.4
125.02468	3.2
127.03983	0.8
131.89157	0.7
134.97591	6.6
136.99106	1.5
146.97508	0.7
148.99158	7.8
152.98628	7.0
152.99695	1.1
164.98637	16.9
183.13852	1.4
206.99675	2.7
225.00734	23.6
226.00972	0.8
255.23511	0.9
276.85516	0.9
281.24774	1.8
283.26273	1.5
360.64398	0.7
507.15286	1.7
509.16910	1.2
563.29102	0.7
730.13062	0.8
730.25464	0.8
791.42468	100.0
792.42798	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56571	16.1
57.54479	17.2
61.98825	64.2
69.75786	42.7
69.76199	62.8
71.28840	16.7
78.95928	19.4
109.52232	17.5
116.92844	17.9
123.70628	16.7
134.56956	15.8
171.26967	17.4
178.22546	15.6
183.29924	17.1
197.55371	16.6
207.91656	17.0
209.11806	100.0
215.11101	17.8
238.69403	14.6
242.08507	16.3
277.21738	87.2
313.92630	16.2
438.57031	22.0
447.31949	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	789.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.9
59.01382	23.1
61.98835	4.9
68.99831	1.3
69.03447	1.2
69.21748	0.7
71.01382	12.0
72.99321	3.9
73.02965	1.2
75.44528	0.7
81.03459	0.9
83.01390	1.0
84.99313	1.9
85.02952	2.9
87.00877	19.5
89.02441	11.1
91.05512	0.9
96.96033	1.3
99.04510	0.8
101.02450	5.7
103.00381	2.7
105.01936	0.7
107.05066	2.1
109.02963	4.7
111.00858	1.4
112.98818	36.0
113.02461	5.8
113.99156	1.4
116.92867	1.4
117.03448	1.1
119.03506	2.5
119.05079	1.1
121.02997	1.5
127.00385	5.7
130.99881	2.4
133.02948	6.2
133.05034	1.6
134.03751	5.4
135.04530	100.0
136.04868	4.0
137.02469	6.1
139.00397	4.7
141.60397	0.7
145.02959	1.9
147.04564	1.0
149.00978	1.5
149.02370	0.8
149.06041	1.6
151.04002	0.8
159.04552	1.9
161.02446	19.7
161.04512	1.5
163.04005	9.3
167.37410	0.7
171.10332	0.9
173.02426	1.6
175.04019	1.2
177.05573	2.2
179.03503	54.3
179.05501	2.3
180.03844	2.4
187.04037	1.6
191.03511	5.0
201.11253	1.0
203.03554	1.0
205.05110	1.7
207.10213	1.1
209.11848	2.1
211.13409	1.4
219.02982	23.9
219.05014	1.5
220.03352	2.0
221.04541	1.4
225.11235	1.4
231.03082	3.8
253.09323	1.2
255.03056	2.2
267.12265	1.1
271.20749	2.6
275.01913	1.4
283.02521	1.2
284.03311	3.3
289.21747	33.4
290.22150	3.6
293.03046	47.2
294.03311	4.0
303.23380	1.4
313.21808	1.5
315.19720	7.2
316.20065	0.8
333.20709	37.9
334.21097	4.6
357.20862	0.9
375.21832	3.9
376.21771	0.8
465.21191	1.8
495.18390	1.1
495.25928	33.3
496.26389	4.8
568.17261	0.8
627.26538	51.3
628.26886	10.4
789.28754	1.1
789.43433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	80.6
63.96229	1.6
69.59032	3.2
69.59436	3.8
70.03551	1.1
71.01384	11.9
73.02934	1.8
78.95907	1.3
78.98589	7.8
79.95732	18.0
80.96517	100.0
82.57897	1.3
85.02936	2.7
87.00864	3.2
94.98090	24.5
96.41769	1.2
97.02942	1.7
98.20606	2.5
101.02411	2.4
102.88208	1.2
106.98078	3.8
122.97593	4.4
125.02461	4.0
134.97571	7.5
136.99182	2.2
145.98744	1.2
147.42261	1.0
148.99178	6.9
152.98627	7.0
164.98636	15.0
183.13870	3.0
206.99664	2.8
225.00746	22.4
247.08656	1.3
277.21829	3.0
302.11646	1.1
509.16675	1.7
787.39459	96.8
788.39673	25.1
788.51501	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
57.55774	0.6
59.01371	1.9
59.54131	0.6
60.50135	0.5
60.52224	0.5
61.98831	33.0
63.96238	1.6
69.03449	1.1
71.01380	11.2
71.65411	0.6
73.02949	2.2
78.95896	1.3
78.98597	8.1
79.95265	0.9
79.95741	16.7
80.96518	100.0
81.03445	0.9
81.96461	0.7
85.02950	3.4
87.00861	4.0
94.98090	21.8
96.96016	1.9
97.02955	1.9
99.00888	1.1
101.02454	2.7
106.11405	0.6
106.98097	4.4
107.40879	0.6
116.92875	1.5
122.97594	4.5
125.02459	4.8
127.04042	0.7
134.97577	5.7
136.99229	1.3
148.99133	8.0
152.98628	7.1
160.63699	0.6
164.98621	16.2
179.17613	0.7
183.13895	4.5
206.99661	3.2
225.00731	25.3
226.01045	1.8
277.21640	1.9
279.23428	1.1
442.62592	0.6
509.16678	1.4
559.25903	2.0
787.39423	90.8
788.39673	28.6
788.53607	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.3
71.01392	2.6
73.02940	1.2
83.01379	0.4
85.02942	0.7
87.00861	0.4
89.02461	0.9
93.03477	1.0
101.02426	1.7
107.04976	0.4
108.02161	0.8
109.02937	0.7
113.02459	0.9
114.35795	0.3
119.05025	0.6
121.02961	3.6
123.04529	1.0
124.01657	0.4
125.02444	0.7
128.03540	0.3
134.03737	0.8
135.04514	3.3
136.04889	0.3
137.02431	1.2
141.68855	0.3
149.02441	26.0
150.02805	1.3
151.03986	0.8
152.01143	7.1
153.01642	0.3
153.05563	0.5
161.04555	1.3
163.04016	5.7
164.04788	23.9
165.01898	1.3
165.05212	1.4
167.03481	4.9
168.00642	0.6
169.05067	2.4
174.45895	0.3
177.05478	0.4
179.03554	0.7
179.07132	8.6
179.08739	0.4
180.04442	0.4
180.07466	0.6
193.01405	13.2
193.05064	0.9
194.01712	0.8
208.03760	36.0
209.04123	2.3
223.06105	100.0
223.25517	0.3
224.06448	6.3
265.07312	0.3
269.10294	1.5
326.63498	0.3
372.82983	0.3
374.01456	0.3
385.11395	24.0
386.07117	0.4
386.11710	2.5
401.14536	5.8
401.19791	0.3
402.14743	0.6
450.37369	0.3
787.23267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.6
58.00616	1.0
59.01379	14.5
60.56557	0.7
61.98831	11.0
71.01385	6.9
71.62128	0.9
72.99306	1.0
73.02963	3.4
83.05028	0.7
85.02975	2.1
87.00893	2.8
88.04073	2.3
89.02448	2.6
93.03477	6.2
95.01398	1.9
95.05038	1.0
96.95996	0.9
99.00922	1.2
101.02444	4.0
108.02184	2.3
109.02983	2.0
112.98827	3.2
113.02478	2.9
117.03497	0.9
119.03532	1.4
119.05055	2.1
121.02959	15.0
122.03758	15.4
123.00872	2.4
123.04546	1.5
124.01684	1.7
125.02470	2.2
132.02139	1.1
133.02946	4.9
134.03767	2.4
135.00868	1.1
135.04544	11.8
136.01665	25.8
137.02472	6.7
139.03973	1.3
145.02962	1.4
146.08318	1.3
147.04532	2.0
149.00958	3.1
149.02440	32.6
149.06087	1.9
150.03226	100.0
151.00339	6.7
151.04013	33.0
152.01172	4.8
152.04405	1.1
153.01892	1.2
154.02698	2.2
159.04550	1.9
160.05325	1.4
161.02429	2.1
161.04591	1.4
161.06119	1.2
162.03253	1.7
163.03983	3.8
163.11186	0.9
164.04787	7.6
165.05566	98.6
166.02710	16.5
166.05867	5.2
167.03493	3.7
168.00665	1.8
172.05316	1.5
174.03258	0.9
175.03998	5.8
175.07562	1.0
177.01852	1.4
177.05539	2.2
179.03503	2.6
179.07059	1.7
180.04298	7.0
181.05061	21.8
182.05423	1.4
189.05580	3.1
190.06340	7.9
191.03513	0.9
191.07027	1.0
192.04225	1.1
193.04974	0.8
195.06615	66.0
196.06972	4.6
203.05576	0.9
203.20329	0.8
205.08681	1.5
207.06612	1.0
218.10207	3.5
221.08072	1.4
256.42447	0.8
282.05188	1.7
283.09573	0.9
297.07559	1.1
309.07571	0.9
315.08664	1.5
325.10715	1.2
326.11566	1.1
327.08829	1.3
329.10187	3.3
341.10083	0.8
342.10934	3.2
343.11758	0.9
355.11691	1.3
356.12411	2.9
357.09570	5.3
357.13379	10.8
369.13354	1.9
372.12042	4.1
373.12637	2.0
386.13669	3.4
387.14484	55.9
388.14899	7.6
490.16077	1.2
505.18460	4.0
535.19690	65.2
536.20038	14.0
553.20709	1.6
565.20538	1.6
566.20721	1.2
583.21832	34.0
584.22137	8.3
655.33246	3.8
683.39203	1.0
787.33752	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	787.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03439	1.4
58.00591	1.1
59.01379	100.0
60.01713	1.1
61.77597	0.4
61.98828	8.5
69.03459	2.1
71.01382	42.3
71.62842	0.6
71.63209	0.9
72.01736	0.7
72.99329	2.0
73.02946	52.1
74.03304	0.9
75.00875	1.4
80.96539	1.1
81.03458	0.9
83.01386	17.3
85.02945	8.7
87.00880	3.7
88.35830	0.4
89.02445	10.7
93.03470	1.0
95.01369	2.9
97.02961	1.8
99.00899	1.0
101.02444	55.7
102.02812	0.9
108.02177	1.4
109.02980	1.6
111.00887	0.6
112.98832	2.1
113.02448	19.5
113.03237	1.0
114.34878	0.5
117.03487	1.9
119.03512	6.6
119.04990	0.7
121.02938	3.2
122.03762	1.4
123.00875	0.8
123.04546	1.3
124.01692	0.5
125.02496	2.0
127.84937	0.4
131.03497	5.5
133.02971	2.6
134.03757	1.9
135.04520	3.7
136.01659	14.1
136.05231	0.6
137.02492	3.1
137.06091	0.6
143.03496	5.8
143.04454	0.6
145.02951	7.5
146.03723	2.0
147.04535	1.5
149.02501	2.5
149.04544	6.9
149.05951	0.8
150.03220	6.8
150.06833	1.0
151.00352	4.7
151.04002	12.2
152.01154	1.5
155.03539	1.3
158.45979	0.5
160.05357	0.6
161.02502	5.9
161.04556	16.2
161.06012	1.8
162.03226	53.4
163.03746	3.3
163.07669	0.5
164.04793	1.0
165.05579	8.2
166.02707	12.3
167.03409	0.9
168.00748	0.5
175.04068	1.4
177.02217	1.1
177.05562	41.0
178.02759	0.8
178.05942	1.7
179.03540	1.8
179.05626	0.9
180.04309	0.8
181.05048	12.8
181.06514	0.8
182.05481	1.0
189.05713	1.0
190.06380	0.9
191.03580	0.9
193.05130	0.7
195.06625	8.1
196.06960	0.9
203.05656	1.3
205.05174	0.6
219.06699	1.7
220.06863	0.5
221.04700	0.6
221.06688	1.9
293.03149	0.8
339.10956	2.7
343.21497	0.6
356.12762	0.7
357.09372	0.9
357.13312	2.1
372.12384	1.3
387.14465	12.1
388.14865	2.2
399.13214	0.7
405.21838	0.5
535.19647	2.5
547.19672	11.3
548.19983	2.3
583.21643	0.7
683.39795	0.6
725.38281	0.7
727.26947	0.5
743.39093	1.4
771.28003	0.7
787.33856	1.6
788.34119	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.98834	100.0
64.67645	0.6
71.01398	2.1
71.30357	1.2
71.30698	0.8
73.02950	0.8
78.95909	1.7
78.98606	1.2
79.95747	2.5
80.96525	13.0
82.96146	0.9
94.98095	3.3
99.92616	2.5
100.92577	1.0
101.02464	1.1
101.41451	0.7
106.98118	1.0
116.92868	17.1
117.01850	0.7
117.92877	4.7
118.92685	0.9
146.39937	0.6
148.99190	1.1
164.98653	1.7
165.12910	1.8
183.13905	12.2
225.00690	3.6
277.21719	18.3
278.22195	2.4
279.23477	1.1
723.43280	28.2
724.43604	8.2
786.42047	1.6
787.39642	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	785.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
60.32413	0.6
61.98843	4.9
71.61286	0.7
76.03212	0.8
121.02960	100.0
122.03311	3.7
122.75625	0.6
137.35068	0.6
154.44836	0.7
165.01895	2.3
181.06638	2.2
191.03519	2.2
209.04549	72.6
210.04924	5.1
225.05588	1.6
225.57213	0.7
243.87791	0.7
261.27356	0.8
313.07205	4.7
357.06204	1.6
358.05801	0.7
393.05017	0.7
401.08768	9.5
402.08823	1.5
488.03122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77114	1.6
59.01379	11.9
61.98514	2.5
61.98831	35.5
66.44773	1.6
71.61647	2.8
73.67389	1.6
75.46217	1.5
102.93243	1.6
105.22604	1.6
107.01373	3.3
130.75903	1.6
148.33798	2.0
151.00336	12.8
163.00360	3.5
178.99826	7.3
190.99962	1.6
211.03766	1.9
227.03491	3.7
229.04990	1.6
243.02940	12.5
255.02965	30.3
256.03253	3.3
257.94513	1.6
271.02475	64.2
272.03033	8.5
277.21841	1.7
287.40326	1.8
300.02744	100.0
301.03448	38.0
302.03891	3.6
411.18719	1.9
668.27380	2.8
723.30200	90.5
724.30469	22.8
786.29596	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	784.4121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01379	64.1
60.01708	0.8
61.98830	100.0
68.70645	0.3
69.76891	2.2
71.01379	5.3
72.99304	0.4
73.02930	1.8
75.00859	0.6
83.01372	0.7
85.02953	2.5
87.00870	0.9
88.98784	0.7
89.02434	0.5
96.95991	1.1
99.00864	1.3
99.30370	0.4
101.02444	2.7
103.00355	0.4
109.02897	0.6
112.98792	1.1
113.02444	1.9
119.04957	0.6
120.01221	0.5
121.02923	0.6
122.06051	0.4
125.02431	0.5
129.46294	0.3
134.03622	0.4
135.04515	0.5
138.91966	0.3
149.00914	0.5
161.04518	1.6
163.03938	0.4
165.05318	0.4
178.02533	0.4
179.03426	0.5
188.24234	0.4
211.13263	0.7
221.11592	0.6
275.19934	0.4
291.23227	0.4
345.16803	0.4
346.09583	0.3
359.27734	0.8
369.12820	0.6
375.27094	0.4
376.27377	0.5
407.16647	0.4
408.17261	0.3
422.65375	0.3
435.27185	0.4
453.27939	1.1
466.49637	0.5
495.28998	1.0
501.92728	0.4
617.39240	1.5
635.41876	2.0
636.41028	0.6
677.42731	4.4
678.41693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.6
61.98835	7.8
63.96219	2.4
67.07734	0.6
71.01382	7.7
71.52477	1.3
73.02942	1.6
73.23214	0.6
78.95905	0.9
78.98591	6.5
79.95742	14.3
80.96516	76.3
81.03434	0.8
82.96113	1.3
83.82862	0.7
85.02964	3.5
86.01106	0.6
87.00868	2.5
94.98086	16.2
96.95996	1.5
97.02963	1.7
99.00878	1.1
101.02451	3.1
106.98071	3.9
122.97577	3.4
125.02431	2.7
127.03988	0.9
134.97583	6.6
136.99126	1.1
148.99132	6.2
152.98628	7.7
159.58623	0.7
164.98625	14.1
185.11772	1.1
199.13353	2.4
201.11325	1.5
206.99622	3.7
209.11775	2.7
225.00749	24.2
225.11259	1.0
226.00977	1.3
227.12828	2.2
241.08524	0.7
253.09036	0.9
255.23332	1.9
277.21713	10.2
278.22174	1.1
279.23254	1.1
285.19016	0.6
344.41824	0.7
357.42242	0.8
389.75064	0.7
483.15134	1.8
527.17969	1.1
537.27216	1.5
630.45410	0.7
721.01471	0.8
739.39508	4.5
740.39575	1.1
783.41986	100.0
784.42340	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36444	0.6
59.01373	1.7
60.98027	0.6
61.98814	0.7
63.15852	0.6
63.96221	1.6
69.03462	0.8
69.53203	4.8
71.01380	8.7
73.02942	2.3
78.95889	0.9
78.98598	7.2
79.95737	14.0
80.96515	85.5
81.03458	1.0
82.96108	1.0
85.02969	3.3
87.00889	3.3
88.72590	0.6
94.98092	17.6
95.01362	0.8
96.96010	1.7
97.02946	1.8
99.00914	1.1
101.02446	2.7
106.98076	3.1
118.43696	0.7
122.97588	4.4
125.02458	3.9
127.04028	1.0
134.97577	6.1
136.99158	2.0
142.00838	0.6
144.91873	0.6
148.99133	7.0
152.98660	6.6
164.98633	14.8
167.00192	0.8
181.95929	0.7
201.11322	1.1
206.99670	2.9
209.11839	1.4
225.00731	25.0
225.02950	1.4
226.01068	1.1
227.12917	0.6
255.23373	1.5
277.21710	2.0
326.89539	0.8
461.45667	0.7
483.15384	2.6
527.18036	1.8
537.27130	1.1
739.39569	4.6
740.39764	0.9
783.41949	100.0
784.42291	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	784.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
62.96405	1.1
69.46381	1.1
69.46791	1.5
70.29850	0.3
71.01386	0.8
72.99303	0.5
78.95905	100.0
87.00865	2.7
89.02429	0.5
93.03448	0.5
96.96964	61.6
98.57169	0.3
101.30569	0.4
103.00373	2.5
109.02982	0.6
113.84042	0.3
119.05032	13.2
120.05367	1.1
124.05929	0.3
130.99881	1.4
133.02908	0.7
134.03738	0.5
134.04733	6.4
135.04492	3.8
136.04861	0.4
137.02431	0.4
138.97980	1.0
149.00923	6.3
149.02080	0.7
149.07208	0.4
150.98027	1.1
158.92540	7.4
161.02422	0.7
161.04578	0.5
162.98039	2.5
163.04016	18.7
164.04407	0.9
175.03932	0.4
176.93649	0.4
177.01974	0.8
179.03462	2.3
180.99069	10.7
190.99696	0.3
195.00706	2.7
195.02248	0.5
198.06779	0.7
205.05057	0.6
211.00180	1.2
212.08292	1.8
241.07321	2.9
254.87225	0.4
255.08842	2.2
263.78833	0.4
268.00848	0.4
272.95752	1.2
295.04578	3.5
346.05585	23.6
347.06091	1.7
372.60443	0.3
374.68439	0.3
408.01215	2.5
437.08655	28.7
438.09082	3.0
517.05469	1.0
518.05640	0.4
652.19513	0.5
757.82385	0.4
784.15155	6.3
785.15521	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.8
59.01380	44.6
61.98834	7.7
68.99831	1.6
69.03457	3.6
71.01389	28.3
71.62473	1.6
71.62847	1.3
72.99313	5.6
73.02934	8.7
75.00874	4.0
81.03446	3.1
83.01400	5.1
84.99342	1.4
85.02948	10.3
87.00867	6.9
88.98810	5.2
89.02449	18.4
91.15777	1.2
95.01379	2.6
96.96023	2.6
97.02969	2.9
99.00890	16.2
99.04495	1.9
101.02446	17.4
103.00388	1.3
108.02206	2.2
109.02943	6.6
112.98808	13.8
113.02448	12.6
116.92843	1.4
119.03490	1.9
119.05037	6.1
121.02935	5.1
122.03733	3.9
123.00921	1.7
123.04530	4.6
124.01657	2.6
125.02438	5.9
130.99785	1.4
131.03490	3.7
133.02954	3.6
134.03758	19.2
135.04532	14.2
136.01660	4.8
137.02483	2.6
137.06087	23.3
138.05556	2.0
143.03529	2.7
145.02895	3.1
147.04524	2.3
148.04018	1.7
149.00908	6.2
149.02466	2.1
149.04550	9.2
149.06071	18.3
150.03203	3.8
151.04008	5.0
152.01100	2.3
155.03447	1.4
161.02443	4.3
161.04568	8.4
161.90683	1.4
163.04008	5.9
165.01994	1.9
165.05566	5.0
166.05040	2.7
166.72260	1.3
167.03459	3.4
170.40768	1.3
171.10294	1.7
175.04025	1.9
177.01895	2.4
177.05598	1.8
179.03516	8.6
179.05669	1.4
180.04137	1.4
181.05066	100.0
182.05418	5.5
189.86113	1.6
191.03625	1.2
191.05615	4.0
191.07205	1.5
193.05051	26.7
195.06566	4.3
203.03700	1.3
203.05627	3.7
210.04099	4.8
211.06035	4.9
211.07846	1.7
219.02875	2.8
221.08220	1.5
221.11879	1.4
235.08015	1.5
239.09302	2.1
253.08713	4.8
293.03094	3.8
297.07834	3.5
323.05518	2.7
335.09476	2.1
342.05527	1.6
361.16403	2.1
373.25940	3.3
449.13007	4.4
487.17297	2.2
489.26617	1.8
499.17535	2.1
517.18658	4.2
517.30115	1.7
535.31396	21.8
536.31989	3.2
545.26013	40.2
546.26349	4.7
558.26703	11.2
558.76965	8.8
577.32098	8.7
645.93060	1.5
651.31866	1.3
709.30652	5.6
710.30365	1.7
739.27820	3.6
740.29816	2.1
783.33752	10.5
783.83600	5.5
784.33984	2.7
805.95013	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	781.4417
Annotation	lugdunin
Peak:m/z	Relative Intensity
56.82654	1.6
61.98816	3.5
63.96238	2.5
71.01383	9.6
73.02948	2.5
78.95913	3.4
78.98580	6.8
79.95741	16.6
80.96519	100.0
82.96082	2.9
85.02956	4.1
87.00865	3.4
94.98084	25.3
99.92574	4.4
101.02422	3.9
106.98053	4.2
119.64310	2.1
122.97592	4.0
125.02417	3.8
127.03920	1.7
134.97560	4.8
136.99126	2.1
140.63356	1.9
148.99153	8.4
150.25690	1.7
152.98648	5.2
164.98628	15.6
206.48424	1.7
206.99713	3.9
225.00751	25.3
229.38312	2.3
242.60742	1.7
433.77872	1.7
471.04276	1.7
536.26569	2.0
587.52325	1.9
741.63300	1.8
781.43713	98.9
782.44330	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	782.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
61.98832	100.0
62.98558	0.3
71.01414	0.4
78.95904	0.2
78.98626	0.4
79.95748	0.8
80.96515	4.4
82.96114	0.2
86.03317	0.1
87.00874	0.2
94.98105	1.0
98.19823	0.3
98.70502	0.1
101.02448	0.1
106.98101	0.2
122.97581	0.2
134.97626	0.4
148.99171	0.2
152.98662	0.2
164.98648	0.6
220.95416	0.1
223.13396	0.2
224.13818	0.2
225.00716	1.1
226.00951	0.2
255.23470	0.2
260.58356	0.2
565.14532	0.2
764.39709	0.2
782.40863	3.8
782.54272	0.3
783.40680	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
57.03446	3.9
58.00595	0.9
59.01095	1.1
59.01381	19.6
61.98821	4.0
67.01940	0.6
68.99812	1.5
69.81047	1.0
69.81467	2.2
71.00987	1.2
71.01384	25.0
72.99300	3.0
73.02938	2.9
75.00877	16.6
83.01393	3.0
83.05036	3.1
85.02956	18.1
87.00877	2.9
87.04505	1.8
88.98802	0.8
89.02448	9.8
95.01396	3.1
96.96006	0.8
97.06567	0.6
99.00881	13.1
99.04511	2.2
101.02448	2.9
103.00397	0.6
109.02897	0.9
111.00913	0.9
112.01685	1.0
112.98833	4.7
113.02447	10.2
114.02758	0.7
116.92854	2.3
117.92888	0.8
119.04996	1.4
129.01956	0.8
133.02925	0.8
134.03711	2.0
135.04521	3.1
137.02458	0.6
139.00389	0.9
149.00919	2.2
149.04520	0.9
150.03230	1.1
157.01427	1.4
159.04483	0.6
161.02444	1.0
161.04539	0.8
163.04037	1.1
165.05498	0.7
171.10297	0.6
176.01108	1.1
177.01915	0.7
179.03453	1.9
183.13853	0.7
227.12816	0.9
253.14510	0.8
293.03009	1.2
373.25830	1.7
439.31744	1.1
441.33524	1.5
471.34787	1.9
473.36224	1.5
541.38867	0.8
555.36945	2.0
556.37885	0.6
649.39221	0.9
781.43799	100.0
782.44086	34.4
782.58850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.4
57.03937	0.4
58.19198	0.3
59.01093	0.7
59.01377	11.4
61.98827	1.1
67.34998	0.4
69.61996	0.3
71.01376	4.6
72.99326	0.6
73.02934	0.7
79.95741	0.9
80.96512	3.8
82.80493	0.3
83.01361	0.5
83.05045	0.4
85.02946	1.2
87.00903	1.1
89.02436	1.3
94.98078	0.8
97.02956	3.6
97.06605	0.8
99.00883	6.8
101.02442	3.0
109.06580	0.9
110.03735	0.6
113.02427	1.0
116.92863	0.9
119.03470	0.4
123.08199	0.5
125.09747	1.5
127.07694	0.5
135.08173	0.6
136.05273	0.5
142.02707	0.9
145.05058	0.7
161.04556	0.9
163.11270	4.1
164.98701	0.6
181.12326	8.4
187.28729	0.4
194.82077	0.4
199.13280	0.5
202.42900	0.3
207.10249	24.3
208.10556	1.2
218.36908	0.4
225.00749	1.2
225.11305	50.7
226.11707	3.3
235.08221	2.5
243.10002	0.7
243.12349	6.8
253.09268	2.5
259.20551	0.7
275.20154	0.5
277.21704	100.0
278.22058	9.5
299.14645	0.4
335.81561	0.3
356.74741	0.4
405.17542	0.4
443.19156	3.9
444.19363	0.8
459.85718	0.4
461.20410	6.2
462.20630	0.7
503.32352	0.5
513.30798	0.6
577.37714	0.7
674.24036	0.5
721.41650	19.3
722.41895	5.0
781.40619	4.2
782.40833	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66677	0.3
59.01386	3.4
61.98830	3.6
66.51315	0.4
71.01410	0.4
72.99310	7.2
75.00877	4.6
78.24804	0.3
80.65315	0.4
87.00883	2.1
101.02453	0.5
103.00370	3.3
103.04030	0.3
104.00732	0.4
104.03555	1.1
105.01936	100.0
106.02287	1.7
210.17995	0.4
214.39798	0.4
229.18300	0.4
229.20442	0.4
382.59436	0.4
397.13947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73890	0.6
57.02392	0.6
57.03430	0.6
59.01384	14.3
61.98832	3.0
69.03452	0.6
70.12989	2.8
71.01385	6.6
71.05018	1.2
73.02937	2.2
78.95908	1.0
79.95741	1.4
80.96535	5.2
83.01386	0.9
85.02953	2.3
87.00865	1.5
89.02437	2.4
94.98078	1.1
97.02962	7.0
97.06612	1.3
99.00892	9.2
101.02437	3.2
109.06573	0.8
110.03738	1.4
113.02458	1.8
125.02426	0.7
125.09721	2.5
135.08162	1.1
137.94148	0.6
142.02701	2.6
152.38101	0.7
152.99600	0.8
159.69344	0.7
161.04575	1.5
163.11299	7.7
164.11607	0.8
164.98589	0.9
176.75523	0.7
179.05589	0.9
181.12347	16.6
182.12732	0.9
199.13388	0.9
207.10271	48.3
208.10577	3.9
225.00743	1.9
225.11322	100.0
226.11693	7.3
235.08273	1.8
240.62781	0.6
243.12363	8.8
244.12730	0.7
253.09274	2.7
259.20703	0.7
262.40103	0.6
263.20221	1.3
277.21729	85.4
278.22083	12.0
281.24747	1.4
299.14972	0.9
306.47122	0.6
317.16061	0.8
371.16980	0.6
405.28036	0.8
428.77737	0.6
443.19223	3.2
461.20291	40.8
462.20679	4.9
469.36893	0.7
495.66122	0.7
502.58661	0.7
639.68335	0.7
645.83154	0.8
721.41675	24.0
722.41937	8.3
781.40204	8.1
782.40961	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01377	5.7
60.99309	17.6
61.98516	0.8
61.98831	14.3
71.01367	2.7
71.16970	0.9
72.99310	1.2
73.02962	0.5
76.87548	0.4
84.99947	0.4
85.02951	0.8
87.00877	2.7
88.00392	2.0
88.98808	100.0
89.02444	5.6
89.99150	1.0
96.55455	0.4
96.96014	0.6
99.00893	0.7
101.02467	0.5
112.01612	0.4
112.98820	3.8
113.02437	0.8
119.05015	1.1
121.02908	0.4
133.02965	0.7
135.04552	2.1
137.02512	0.7
137.03549	0.4
140.03580	0.5
149.00911	1.0
149.06195	0.5
155.92070	0.5
161.02478	0.6
161.04605	0.5
163.04123	0.7
179.03529	1.1
193.06873	0.4
208.35994	0.4
219.03000	0.5
251.16389	0.5
293.21252	0.8
355.24979	0.7
365.27359	0.5
373.26056	2.6
391.26904	0.9
397.13593	0.8
415.14615	0.8
599.69647	0.5
675.41437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01382	100.0
60.01729	1.5
61.82722	0.6
71.01386	11.3
71.61441	1.1
72.99305	0.8
73.02945	4.8
79.26352	0.6
82.48923	0.6
83.01379	1.3
83.05033	1.1
85.02970	2.7
87.00880	2.0
89.02446	8.5
96.96008	4.8
99.00889	0.9
99.08153	4.9
101.02437	8.9
109.92242	0.7
112.98843	1.3
113.02453	4.8
119.03497	3.5
119.05035	1.8
123.08144	3.3
133.03040	0.8
135.04515	4.9
145.02954	1.2
145.08711	18.1
146.09140	1.1
149.00972	1.9
149.04619	1.3
161.02431	1.2
161.04596	3.1
163.04030	1.7
163.11339	2.1
172.14406	0.8
179.03560	3.4
179.05598	0.7
189.12866	6.1
203.05658	1.5
207.13940	8.1
208.14290	0.7
221.06703	1.2
241.00194	1.5
271.02585	0.8
284.03391	1.2
285.03897	0.9
307.13980	47.4
308.14264	4.3
341.08978	1.8
357.13336	0.9
387.20404	1.9
429.21225	7.5
430.21970	1.1
537.74023	0.9
605.19019	0.9
781.21796	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	781.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
59.01374	9.0
60.99314	4.0
61.98830	21.5
69.03465	0.8
70.63470	2.3
71.01392	5.8
72.99306	1.4
73.02937	1.7
75.00895	1.1
83.01395	1.0
84.99263	0.9
85.02948	1.4
87.00871	5.3
88.98808	25.6
89.02440	2.6
91.72737	0.7
96.96007	1.3
99.00897	1.3
101.02485	1.5
103.00397	0.9
109.02896	1.1
112.98788	8.5
113.02407	1.6
119.05030	2.0
121.02933	1.7
133.02943	1.3
134.03729	6.4
135.04555	5.6
137.02443	1.0
143.95772	0.8
145.02943	2.2
146.03740	51.5
147.04181	3.9
149.00920	3.0
149.06059	3.8
149.48215	0.8
151.04060	1.0
161.02431	1.4
161.06073	16.4
162.03165	1.0
162.06494	1.4
163.03999	2.7
164.04797	34.1
165.05385	1.9
177.09113	1.0
178.02658	0.9
179.03787	2.0
179.07132	100.0
180.07481	5.8
183.13942	1.0
189.09222	1.2
203.03514	0.9
203.10751	0.9
209.11830	1.0
226.45128	0.9
293.03113	1.0
295.06366	1.3
323.22293	1.2
338.11636	1.8
353.13864	3.4
354.14606	1.0
355.24930	1.2
373.21906	1.0
373.25940	5.3
374.26083	0.9
391.26865	1.8
500.66391	0.9
515.20648	1.6
559.21228	1.0
576.02234	1.0
738.27307	1.0
781.44849	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72594	1.6
57.09349	1.8
58.02988	2.0
59.01379	21.4
60.99301	2.3
61.98829	45.6
66.29453	1.8
69.28734	19.7
71.01380	11.2
72.31609	1.6
72.99294	4.4
73.02932	3.0
73.64406	1.8
75.00879	11.7
83.01353	3.2
84.99301	1.8
85.02950	5.4
87.00872	7.5
88.98824	9.0
89.02437	5.9
93.27036	1.7
95.01428	1.8
96.96017	5.1
98.19806	3.8
100.39675	1.9
101.02455	7.6
101.36313	1.6
108.02153	1.8
109.02933	1.7
112.98810	16.6
113.02459	4.6
119.05026	4.1
121.02952	6.2
133.02982	3.5
134.03743	5.4
135.04549	11.6
137.02390	3.2
138.05588	2.0
145.02942	3.9
146.03743	57.0
146.09715	1.8
147.04494	4.1
147.28508	1.6
149.00893	7.0
149.06044	7.0
150.03183	1.9
151.04070	2.3
161.02415	5.4
161.06102	19.7
163.04010	7.1
164.04813	40.1
165.05411	4.0
175.03973	2.6
179.03500	5.9
179.07126	100.0
180.07475	5.7
193.05023	2.2
194.05763	3.8
206.08150	5.2
209.08174	4.9
262.69202	1.7
286.61533	1.7
353.13803	4.4
355.15265	2.6
355.24747	2.8
373.26096	10.9
373.48392	1.9
391.26938	5.4
404.52203	1.7
457.29755	3.1
487.25623	3.0
506.49414	2.0
537.15338	1.9
557.33679	4.5
633.25940	2.0
649.39075	2.4
781.35535	3.4
786.07037	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	781.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
60.99341	0.4
61.98832	3.6
69.77647	0.4
70.61377	0.8
70.61759	1.0
71.01387	1.5
72.99326	0.6
81.98002	0.4
87.00880	0.7
88.98820	1.3
89.02473	0.5
95.01398	0.4
101.02428	0.4
101.62862	0.4
103.46110	0.4
103.46825	0.3
108.02207	0.5
109.42038	0.4
112.98793	0.7
113.02402	0.5
121.02959	1.0
134.03737	6.0
135.04536	2.7
145.02960	1.9
146.03738	56.4
147.04137	2.7
148.01682	0.3
149.00986	0.4
149.06102	4.4
150.03214	0.8
150.06404	0.4
161.02521	0.5
161.06078	17.7
162.06502	0.7
163.04005	1.5
164.04788	37.7
165.05156	2.0
179.07135	100.0
180.07486	6.3
189.09171	1.2
201.09140	0.6
203.10745	1.0
283.06210	0.8
295.06052	0.9
311.18665	0.4
323.22214	0.6
338.11575	2.0
353.13861	5.9
355.15427	1.1
373.25784	0.6
397.13535	0.7
475.18555	0.5
503.20447	0.5
515.20941	2.0
533.21704	1.1
558.20721	1.1
627.12213	0.4
781.46381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41208	0.5
59.01384	1.6
60.99310	2.6
61.98831	1.7
69.39058	3.5
71.01374	0.8
79.54371	0.4
87.00870	0.6
88.00436	0.5
88.98806	15.1
89.02471	1.4
98.19810	0.7
102.01669	0.4
112.98808	1.3
115.06952	0.4
119.05021	0.6
123.00865	0.4
134.03729	5.4
135.04549	2.2
145.02960	2.3
146.03741	58.5
147.04033	3.6
149.06061	3.0
161.06076	15.5
162.06401	1.2
163.04018	2.1
164.04799	38.7
165.05139	2.0
175.07678	0.4
179.07138	100.0
180.07498	5.3
187.07671	0.6
189.09218	1.2
201.09229	0.8
203.10756	0.7
216.42960	0.4
283.06256	0.9
290.12567	0.4
295.06113	0.8
338.11459	1.6
339.11948	0.7
350.03821	0.4
353.13910	5.2
354.14432	0.9
355.15445	1.2
515.20819	1.2
533.21832	1.1
558.20941	0.8
559.21204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.2
59.01385	13.7
60.90770	0.8
61.01850	1.0
61.98828	9.8
69.03487	1.0
71.01382	7.9
71.23624	0.9
71.62693	1.8
72.99305	2.4
73.02953	3.0
75.00880	2.7
85.02945	4.0
87.00874	3.9
88.98818	1.4
89.02447	3.4
93.03481	1.3
96.96029	1.4
99.00868	1.9
99.92571	1.0
101.02437	4.0
107.75172	0.9
109.02944	2.1
112.98817	9.6
113.02436	2.9
119.05033	2.8
121.02951	4.3
123.04485	1.7
124.01664	3.7
125.02470	1.5
133.02974	1.8
134.03761	2.4
135.04492	5.6
136.01660	3.1
136.46808	0.8
137.02440	4.3
137.04836	1.0
138.03230	1.9
138.57851	0.9
139.04013	3.1
145.03009	1.8
147.04601	1.1
149.00905	5.4
149.02385	2.4
149.06152	0.9
150.03230	55.1
151.03795	4.5
161.02402	2.0
161.04587	1.0
163.03995	4.3
164.04796	7.8
165.05566	41.6
166.05908	2.3
175.03966	1.9
176.04826	2.2
177.09157	2.0
179.03473	3.8
179.07103	1.2
180.99721	1.9
189.05603	3.6
189.09113	1.1
190.06389	2.4
191.10776	3.0
193.08690	12.2
194.08937	1.3
201.09248	1.1
203.07118	2.8
204.07933	3.7
205.08681	35.7
206.09215	2.8
217.08652	2.0
218.09447	1.3
219.02983	1.2
219.10245	64.7
220.10558	3.5
231.10239	2.8
251.83292	1.0
253.14490	1.8
269.04636	1.4
270.05429	1.1
287.05615	3.5
302.07907	3.7
325.02121	1.3
353.14090	1.1
356.12259	1.5
369.13550	1.3
371.15002	100.0
372.15326	13.4
373.25903	2.8
391.26956	1.5
429.77432	1.0
515.19208	4.5
533.20251	58.3
534.20703	10.7
575.21313	35.5
576.21631	8.3
620.22272	1.0
693.71948	1.1
737.26929	3.4
780.43695	1.4
781.44672	8.8
782.43744	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	781.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
57.29169	1.6
59.01376	18.2
61.98827	13.3
69.38303	2.1
69.38705	11.3
71.01402	7.8
72.99291	4.5
73.02940	3.9
75.00876	3.4
83.01337	2.0
83.25758	1.5
85.02960	2.2
87.00869	7.4
88.15845	1.7
88.98805	5.0
89.02449	4.1
92.27688	1.6
96.95991	1.8
97.02943	3.1
99.04522	1.4
101.02439	4.3
103.00376	1.6
108.02159	1.6
109.02922	2.4
112.98810	17.5
113.02427	4.2
116.92828	1.7
119.04989	3.8
120.42369	1.4
121.02966	1.9
123.00883	2.8
123.20961	1.6
124.01633	8.1
125.02433	3.3
133.02924	2.8
134.03731	6.1
135.04562	13.4
136.01663	2.2
137.02438	5.2
137.06073	1.6
138.03232	3.1
138.67796	1.5
139.03973	4.7
145.02907	1.9
147.04494	1.7
149.00909	10.3
149.02370	4.1
149.04529	1.8
150.03227	59.5
151.00322	1.6
151.03735	4.4
160.01749	1.7
161.02379	6.7
161.06023	1.7
162.03099	1.7
163.04024	5.7
163.07613	2.2
164.04767	9.7
165.05554	41.2
166.05930	2.4
171.10217	2.1
175.03941	3.6
176.04782	3.6
177.09201	5.5
178.02637	2.2
179.03502	7.2
187.07553	2.2
189.05536	3.6
190.06271	1.8
191.07135	1.6
191.10780	2.0
193.08678	12.1
203.03554	1.8
203.07127	2.1
204.07938	7.6
205.08687	37.0
206.09254	3.3
213.31880	1.6
217.08734	5.2
219.03026	2.3
219.10242	69.0
220.10538	7.1
229.08701	2.6
231.10205	4.3
245.00948	1.6
269.04694	2.6
277.03485	2.2
285.04077	2.3
287.05634	2.1
293.02975	4.4
302.07901	3.5
338.11752	1.8
354.10977	5.5
364.21640	1.6
367.11880	2.9
369.13272	3.5
371.14969	100.0
372.15350	12.9
373.25650	8.3
391.26926	4.5
413.16309	2.2
437.16275	2.6
515.12231	1.2
515.19165	38.8
516.19562	8.3
533.20264	72.3
534.20551	15.5
575.21313	44.8
576.21759	10.5
677.24945	2.2
737.26013	6.2
781.45868	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	781.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
64.53328	1.0
65.18197	1.0
71.31802	1.9
109.02954	1.3
112.98808	2.5
117.75552	1.0
122.03721	1.2
124.01651	5.4
135.04498	1.1
136.01666	4.0
137.02406	3.0
138.03215	3.7
139.04018	3.1
149.02335	1.4
150.03230	56.5
151.03712	3.6
161.02448	2.4
163.04030	3.2
164.04803	9.4
165.05568	44.0
166.05917	2.0
175.03975	2.0
176.04768	3.3
177.09232	4.8
179.07184	1.2
187.07573	1.7
189.05579	4.0
190.06311	2.5
191.07033	2.7
191.10805	2.9
193.08702	15.3
201.09149	1.8
203.07132	3.6
204.07880	6.3
204.88766	1.2
205.08693	42.1
206.09204	3.9
217.08659	1.5
219.10254	77.2
220.10486	6.9
231.10254	3.9
238.58430	1.0
269.04605	2.1
287.05609	4.1
302.08011	3.9
338.11441	1.7
339.12350	1.8
353.14001	1.8
356.12662	1.6
370.13873	1.9
371.14978	100.0
372.15369	14.3
515.19006	3.1
533.20270	49.7
534.20813	8.5
575.21375	53.6
576.21643	10.0
737.26483	24.0
738.26611	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	781.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54799	0.4
59.01377	1.6
61.98822	1.0
67.28008	0.5
71.01386	0.9
73.03589	0.4
84.70116	0.5
87.00871	0.8
95.01425	0.7
98.19684	0.8
109.02962	1.9
112.98803	1.6
113.02444	0.7
119.05057	0.4
121.02973	1.0
122.03729	1.6
123.00910	0.8
123.04538	0.9
124.01669	4.7
125.02428	1.3
135.04510	1.2
136.01654	3.3
136.05286	0.6
137.02473	2.2
138.03224	3.4
139.04037	3.0
141.98590	0.5
146.33919	0.5
149.00906	0.7
149.02412	2.5
149.06015	0.6
150.03227	60.3
151.03607	2.9
159.08084	0.8
161.02446	1.1
162.03271	1.0
163.04028	2.8
164.04791	10.1
165.05569	44.4
166.05922	2.5
172.05310	0.5
175.03984	1.6
176.04791	1.6
177.05493	0.5
177.09222	3.2
178.02710	0.4
178.19818	0.4
179.03479	0.6
179.07097	0.7
186.06848	0.5
187.07629	1.6
188.08105	0.5
189.05594	4.0
190.06380	2.4
191.07114	2.8
191.10757	2.8
192.07793	0.9
193.05046	0.6
193.08701	13.2
194.09032	1.0
201.09213	1.0
203.07178	3.4
204.07890	4.8
205.08690	40.4
206.09120	5.2
213.09306	0.7
215.63600	0.5
217.08682	1.8
218.09366	1.4
219.10252	79.7
220.10608	8.1
229.08905	0.4
231.10239	4.3
232.10602	0.6
241.04948	0.5
269.04596	1.7
270.05148	0.7
272.03342	0.7
274.07843	0.5
283.06235	0.5
286.04938	0.6
287.05670	3.7
288.05984	0.6
302.07840	4.4
303.08102	0.6
321.10999	0.5
338.11713	1.3
339.12335	0.9
353.13898	0.7
354.10995	1.2
355.11746	0.6
355.24664	0.6
356.12662	1.8
369.13266	0.6
370.13971	1.0
371.14984	100.0
372.15329	14.5
373.15524	1.2
413.16647	0.5
515.19226	1.3
533.20300	26.9
534.20587	6.1
548.21729	0.5
575.21338	76.2
576.21698	17.3
577.21777	1.6
675.98486	0.6
737.26563	7.4
738.26978	2.7
781.28345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.9
58.02971	2.5
59.01384	36.2
61.98830	30.1
69.03460	2.5
70.13445	8.7
71.01390	14.5
72.99300	5.3
73.02948	7.3
75.00848	2.0
83.01379	4.9
84.99297	1.8
85.02938	6.1
87.00893	15.2
88.98805	7.8
89.02435	4.7
93.03449	3.3
95.01382	3.4
96.96027	5.8
98.20559	2.0
99.00873	6.6
99.04540	2.1
101.02449	8.1
103.00365	3.9
106.06645	11.7
107.05054	2.5
108.02176	3.2
109.02929	3.6
112.98811	22.5
113.02441	6.3
116.92838	3.1
119.03577	2.2
119.05006	5.6
121.02972	5.7
123.00882	2.7
123.04526	8.3
124.01652	5.3
125.02453	4.0
126.29315	1.8
127.00372	5.8
129.12846	1.9
130.99840	3.4
133.02968	3.8
134.03703	4.5
135.04520	34.0
136.01662	2.1
137.02420	11.4
137.80183	2.2
138.03207	2.2
139.00415	2.5
139.04012	4.2
145.02898	3.6
147.04521	4.1
149.00914	14.5
149.02364	5.1
149.06096	22.6
150.03233	58.0
150.05576	5.9
151.00359	10.6
151.03777	4.2
152.01128	2.3
159.04553	3.9
161.02463	5.3
161.04616	3.1
161.06009	2.1
163.04019	11.9
164.04735	7.3
165.05557	43.5
166.05820	3.4
167.03552	2.0
175.03995	2.8
175.07645	3.5
176.04749	2.8
177.05501	2.9
177.09164	4.6
178.02655	2.0
179.02084	2.1
179.03438	12.1
187.07623	4.0
188.04637	2.5
189.05554	4.4
189.09129	1.9
191.07187	4.0
193.08684	20.4
194.04578	3.0
195.06546	2.1
201.09198	6.0
203.07188	5.4
204.07861	5.4
205.08653	35.1
206.08093	3.4
207.08546	2.2
209.08318	2.2
217.08737	6.1
219.10257	71.6
220.10619	7.8
231.10237	5.9
275.09274	2.8
285.07587	2.2
286.08350	3.8
287.05701	3.2
301.07458	2.9
301.10800	6.6
302.07779	3.2
302.11172	2.4
338.11371	3.1
339.12054	2.1
353.13950	2.4
356.12491	2.6
371.14978	100.0
372.05124	2.2
372.15277	14.2
373.26059	3.4
381.62320	2.0
533.20337	51.0
534.20685	9.8
575.21448	38.1
576.21912	6.0
601.19714	2.6
619.26044	2.2
643.20410	9.3
649.36584	3.8
737.26642	55.3
738.26886	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	779.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.3
61.98832	3.9
69.03450	1.6
71.01390	3.7
73.02944	0.9
78.95898	1.5
78.98625	0.7
79.95742	0.9
80.96499	4.0
82.50407	0.6
83.01396	0.8
85.02928	0.9
89.02439	2.2
94.98088	1.7
95.01417	1.1
98.20699	1.6
99.09332	0.8
101.02437	3.1
113.02448	1.3
116.92862	0.8
138.23637	0.8
145.05099	0.8
147.34114	0.9
161.04547	1.5
167.10760	2.7
179.05629	1.2
179.10812	1.3
179.14452	3.0
195.13895	10.2
205.12305	10.3
218.03929	0.7
223.13382	100.0
224.13748	7.5
225.00717	1.5
229.18961	1.0
235.08121	3.6
253.09306	10.6
255.23357	1.5
262.38748	0.9
263.76025	0.7
266.66107	0.7
277.21713	84.2
278.22073	9.8
296.71756	0.6
355.75662	0.7
391.99731	0.7
441.21402	2.1
459.22244	11.9
460.22534	2.1
719.43701	1.7
779.38849	4.9
780.40143	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	779.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99321	0.4
57.03466	0.4
61.98817	1.9
69.40161	2.1
69.40594	1.9
71.01369	0.4
79.95323	0.5
79.95746	1.6
95.95231	0.5
96.96011	64.9
99.01929	0.5
104.99413	0.4
113.33721	0.5
147.73315	0.5
149.06084	1.5
193.20306	0.5
200.76805	0.6
265.14767	100.0
266.15125	8.3
374.80838	0.5
571.71936	0.5
779.36493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.6513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.6
61.98828	1.2
71.01365	0.5
71.61761	0.6
78.95904	0.6
80.96509	1.8
89.61739	0.3
93.39250	0.3
94.98081	0.4
105.59547	0.3
108.94263	0.3
116.92844	0.6
132.35358	0.3
134.89516	2.3
164.98601	0.5
225.00858	0.3
277.21652	0.6
293.43958	0.3
302.25278	0.3
457.36884	100.0
458.37228	19.6
781.40161	2.4
781.52924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01377	4.5
61.98835	2.8
69.03464	0.3
69.29559	3.3
70.53773	0.3
71.01381	2.5
72.99317	1.0
73.02940	0.8
79.41471	0.3
85.02966	0.9
87.00877	1.8
88.34920	0.4
88.98808	0.8
89.02428	0.9
94.94154	0.3
95.01404	0.5
97.02939	0.4
99.00900	0.5
101.02448	1.2
106.04212	0.4
109.02964	1.6
112.98814	4.3
113.02439	1.2
113.99120	0.5
116.92861	0.3
117.03453	0.5
119.05047	0.9
121.02986	0.8
122.03738	1.2
123.00886	0.9
123.04537	1.4
124.01653	4.0
125.02431	0.9
131.03430	0.4
133.02979	0.9
134.03731	1.3
135.04558	2.9
136.01651	2.4
136.05309	0.4
137.02469	2.4
138.03224	3.0
139.04025	3.3
143.03540	0.3
145.02940	0.5
149.00964	1.7
149.02448	2.5
149.06079	0.4
150.03229	45.1
151.00368	0.3
151.03650	3.0
152.01213	0.7
159.04517	0.4
159.08061	0.6
161.02414	2.2
161.04503	0.4
161.09677	0.5
162.03195	1.0
163.04002	2.9
164.04794	9.3
165.05566	35.3
165.12769	0.3
166.05939	1.8
171.10260	0.7
172.05292	0.5
173.06096	0.5
174.03163	0.4
175.04015	1.8
175.07635	0.9
176.04802	1.8
177.01926	0.5
177.09172	3.6
178.02716	1.1
178.06314	0.4
179.03493	1.5
179.07191	0.9
186.06837	0.5
187.07651	1.7
188.04688	0.5
189.05551	3.6
189.09224	0.4
190.06265	1.4
191.03531	0.5
191.07135	2.4
191.10709	2.3
192.07813	0.9
193.05013	0.9
193.08705	12.1
194.09023	0.6
201.09190	0.8
203.07115	2.3
203.10768	0.4
204.07919	4.6
205.08690	30.0
206.09164	3.0
213.09206	0.5
217.08647	1.2
218.09404	1.3
219.10252	62.1
220.10576	4.4
227.12906	1.0
231.10187	2.7
232.10860	0.4
241.05061	0.4
253.35965	0.3
269.04572	1.4
270.05185	0.7
275.09067	0.6
284.06921	0.6
286.04568	0.5
287.05585	2.8
293.03107	0.9
301.06879	0.4
302.07956	3.0
303.08279	0.5
313.07397	0.4
338.11560	1.3
339.12259	1.0
341.10608	0.4
353.13895	1.0
354.10992	0.9
355.11688	0.6
356.12494	1.5
369.13272	0.9
371.14990	100.0
372.15329	15.0
375.27634	0.7
389.25473	0.9
413.16306	0.4
463.82944	0.3
474.19983	0.3
492.34180	0.4
515.19250	4.3
516.19489	0.9
517.21173	0.5
533.20313	2.3
557.20386	0.4
575.21350	64.2
576.21613	12.3
647.37726	0.3
719.25189	0.5
737.26990	0.4
779.27332	3.9
779.40070	0.4
780.28595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4588
Annotation	Carnosifloside I
Peak:m/z	Relative Intensity
55.01874	1.2
57.03438	1.5
58.00600	1.4
59.01380	23.8
60.01722	0.3
60.49461	0.3
61.98823	0.5
64.28524	0.2
67.01882	0.5
68.99813	1.6
69.40046	1.1
69.40471	1.0
71.01383	23.0
72.01736	0.3
72.30736	0.3
72.99313	2.2
73.02937	1.6
75.00878	12.3
83.01387	2.6
85.02953	10.1
86.03281	0.3
87.00875	2.5
89.02448	11.5
90.02763	0.3
95.01387	4.7
99.00882	11.2
101.02445	13.0
105.66629	0.3
111.00864	0.5
113.02454	9.3
115.00306	0.3
118.21660	0.3
119.03519	2.5
131.03494	0.5
134.50160	0.3
139.00356	0.7
157.01442	1.7
161.04544	1.1
179.05600	0.3
212.82607	0.3
276.88559	0.2
423.32370	0.3
439.35645	2.9
440.36407	0.7
495.10672	0.3
509.40106	2.1
510.40396	0.4
581.38507	0.5
599.39838	0.7
779.45837	100.0
780.46173	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	777.443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.76419	0.9
57.03439	1.2
58.60888	0.9
59.01099	1.2
59.01379	24.2
59.65963	1.0
61.98833	9.7
68.99805	2.3
69.74717	4.6
71.01381	24.9
72.99306	2.5
73.02950	1.3
75.00878	14.8
78.95870	1.0
83.01380	3.0
85.02502	1.1
85.02954	11.4
87.00842	2.1
89.02444	10.4
94.25539	0.9
95.01392	4.4
97.02943	1.0
99.00884	12.8
101.02438	13.5
111.00883	0.9
113.02431	7.8
119.03448	1.8
119.74693	1.0
135.04510	1.8
155.48943	0.8
157.01370	1.0
161.04510	1.0
171.10243	1.3
207.09995	0.9
228.58524	1.0
268.14273	1.0
324.35321	0.9
398.07162	0.9
437.34149	5.3
597.38605	1.1
647.89331	1.1
753.76965	1.0
777.44342	100.0
778.44580	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.0
60.09814	2.9
60.82171	2.8
61.98834	33.0
62.06352	3.9
70.95245	2.7
71.01382	5.9
71.61436	3.3
72.61492	3.4
78.95917	15.4
89.02424	4.8
101.02425	4.8
109.02918	3.7
109.06586	5.9
109.38538	3.2
113.02448	3.3
115.92049	7.8
126.90434	4.2
149.06070	4.3
152.99609	8.6
161.04536	3.3
163.11324	5.4
171.10246	10.8
181.08676	5.7
184.64076	3.2
199.09782	20.6
207.10292	24.6
225.11336	32.7
235.08211	12.5
253.09395	15.9
277.21707	100.0
278.21967	11.0
308.13004	3.9
339.07233	18.9
390.77765	4.0
443.18881	4.3
461.19965	9.1
474.01312	3.6
513.30670	8.1
695.39948	33.6
696.40424	12.1
721.41620	33.9
722.42188	8.6
739.35443	5.5
775.38995	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.5
61.98838	38.6
62.16991	4.1
64.19875	4.4
64.61398	4.5
71.01380	11.8
78.95897	17.0
79.70029	4.3
89.02422	6.5
101.02449	6.7
109.06577	6.7
123.08647	4.9
137.02429	4.9
142.45096	4.1
152.99608	9.4
163.11215	5.8
171.10271	14.0
172.15532	4.3
175.38321	4.6
177.20506	4.7
189.09254	7.3
199.09763	34.5
199.54327	4.1
201.11359	5.8
207.10239	48.3
225.11340	37.2
235.08156	7.7
243.12459	4.5
253.09245	17.4
262.02264	4.7
271.02383	8.8
277.21768	100.0
278.21988	11.7
392.85501	5.1
431.49136	5.0
435.18832	9.6
443.18912	11.9
461.20126	14.2
695.40283	58.5
696.40283	14.0
721.41571	49.8
722.41992	8.2
775.39911	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01375	5.7
61.98818	2.0
69.03466	0.8
69.55654	0.5
69.67402	0.6
69.70317	3.1
71.01397	3.0
72.99321	1.5
73.02943	1.0
83.92207	0.6
85.02962	1.9
87.00880	2.0
87.04543	0.8
88.98827	0.7
89.02457	0.8
95.01424	1.0
97.06596	0.9
98.20589	1.4
99.00879	1.4
101.02433	1.3
108.02177	54.4
109.02979	11.3
112.80592	0.5
112.98831	2.0
113.02414	1.1
113.23886	0.8
121.02939	1.3
122.03709	0.6
123.00889	1.0
123.04503	0.7
123.08150	1.1
133.02963	3.8
134.03729	1.3
135.04526	3.2
137.02478	1.4
149.00891	1.5
149.06062	1.1
151.00394	0.7
151.03967	0.8
152.01155	100.0
153.01863	6.3
157.12320	1.1
161.02419	1.2
163.04066	3.2
177.01930	2.3
178.02658	0.9
179.03508	2.0
185.11842	2.2
215.12915	0.9
235.23737	0.6
285.06213	1.8
329.23404	1.5
351.63821	0.7
357.26459	1.4
366.05563	0.6
371.05920	0.7
373.26227	1.0
375.27484	23.3
376.27896	2.7
399.09268	11.9
400.09375	1.2
417.10416	1.2
527.32214	1.0
625.24921	1.9
643.28369	0.9
687.38794	0.9
698.27808	0.7
731.38599	2.1
775.37573	83.7
776.37976	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	773.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
61.98830	3.7
63.33815	0.3
63.58842	0.3
70.01801	0.3
70.26065	0.3
71.01374	0.5
78.95903	15.6
79.95731	3.6
94.98075	0.7
96.96012	100.0
96.96934	18.8
97.95973	0.5
98.02505	0.3
98.20613	1.0
120.92537	0.3
131.26872	0.3
191.68942	0.3
195.97200	0.3
263.76239	0.3
453.09296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
59.01383	7.9
61.98828	8.4
69.03437	1.0
71.01366	3.6
71.05028	1.0
72.99297	1.8
73.02930	2.0
85.02944	3.3
87.00855	1.9
87.78226	0.9
93.07078	0.9
95.01340	1.4
96.96021	1.4
97.06574	1.2
101.02441	2.1
108.02179	62.1
109.02998	12.4
112.98796	2.8
113.02460	2.2
117.03482	1.4
119.05025	2.0
121.02954	1.2
122.03702	1.0
123.00863	1.2
123.04497	2.1
125.02448	1.0
133.02963	1.5
134.03740	1.8
135.04512	4.9
137.02437	1.6
149.00954	2.2
149.06085	1.8
150.03137	3.0
150.06851	4.4
151.03998	1.9
152.01160	100.0
153.01964	6.7
159.04507	1.1
160.05273	2.8
161.02434	1.1
161.06082	0.9
163.04030	5.7
163.07596	1.1
164.04761	0.9
165.05545	2.1
173.06046	0.9
175.07637	1.8
177.05519	2.1
178.67752	0.8
179.03505	3.1
179.10760	1.6
183.13939	1.4
193.05078	1.2
200.63031	0.9
219.02914	1.3
229.35550	0.9
241.07162	1.0
248.82460	1.0
267.04922	1.0
329.13956	8.9
343.24887	3.8
345.23248	1.1
359.14545	1.2
373.25974	18.5
374.26099	2.8
388.38602	0.9
399.09290	15.5
400.09470	2.4
417.10229	1.5
524.33649	1.8
525.34430	2.2
549.19556	1.1
569.23370	3.1
669.40942	1.0
729.40619	7.5
730.41638	1.2
773.36029	87.9
774.36255	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	773.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.2
61.98837	20.8
65.61655	1.9
66.20800	1.6
68.99815	6.2
71.01377	19.3
71.62517	1.8
71.62939	2.3
72.99310	15.3
73.02940	3.6
80.01355	1.7
84.99301	7.1
85.02943	7.4
87.00874	34.6
88.98811	2.5
89.02449	10.4
89.09948	1.7
96.96037	2.0
99.00884	2.5
99.64368	2.0
101.02440	9.7
109.02916	2.7
111.00861	2.9
111.04534	2.5
112.98811	93.5
113.02453	9.5
113.99141	2.5
116.92838	1.8
117.03454	4.9
119.03555	3.7
119.05025	77.1
120.05376	2.6
121.02935	5.3
125.02434	3.0
125.06094	1.9
127.00358	7.5
128.78055	2.1
133.02962	3.6
135.04529	11.0
137.02432	3.4
143.03555	2.7
143.04945	3.2
145.02968	30.2
147.04498	13.8
161.02370	1.8
161.04648	4.2
161.06052	3.8
163.04021	42.4
167.07040	2.2
171.10248	3.4
175.04028	11.8
178.69978	1.9
179.03452	3.7
179.05519	3.9
185.11760	10.9
189.05473	3.6
201.11325	1.8
203.03490	43.0
204.03830	2.8
209.11815	6.4
211.13274	2.0
215.03496	10.6
227.12775	3.9
233.04626	2.4
253.09213	2.6
259.02423	5.2
271.20663	7.3
277.03522	100.0
278.03790	11.7
289.21753	27.1
290.22235	2.8
297.80762	2.0
303.23260	3.7
313.21622	4.0
315.19702	12.7
327.21631	5.2
329.32806	2.1
333.20740	57.3
334.21008	5.1
343.96823	1.9
357.20587	4.6
375.21783	41.1
376.22040	3.4
399.21539	4.1
479.17078	2.7
495.25601	11.4
537.26788	4.1
609.25562	7.6
705.30743	2.3
729.39087	2.3
730.23230	1.8
773.28992	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	771.311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50912	0.2
59.01390	0.4
59.36992	0.2
61.98824	1.2
71.01404	0.3
71.62028	0.2
71.62379	0.2
73.02944	3.4
75.00881	0.3
78.95908	0.5
79.76520	0.2
99.00883	0.5
99.92586	10.4
100.92598	0.6
114.93395	0.5
116.92861	100.0
116.97189	1.3
117.01945	6.6
117.92083	0.4
117.92872	5.2
122.97587	0.3
135.48482	0.2
152.99582	0.2
180.09242	0.2
203.48775	0.2
209.11766	0.2
266.48053	0.3
771.43903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74251	0.5
59.01381	25.7
61.98824	2.8
64.65321	0.6
71.01387	9.5
71.62438	0.5
72.99313	1.6
73.02933	2.1
75.00851	0.9
77.55357	0.4
79.32134	0.6
83.01395	0.8
84.04546	2.3
85.02953	2.6
85.62929	0.5
87.00887	2.5
88.98801	0.6
89.02446	2.6
93.03442	0.6
94.02970	1.5
95.01382	0.5
95.05036	0.9
96.95992	0.7
97.01689	2.0
99.00871	2.0
101.02430	3.5
108.02186	0.7
109.02942	1.8
109.44640	0.5
110.02412	1.1
112.04053	32.0
112.98808	3.1
113.02436	3.3
113.04364	0.7
116.92844	0.6
119.03539	0.6
119.05040	1.0
121.02971	0.5
122.06133	4.0
123.04506	1.2
123.08176	1.4
124.04047	29.5
125.02438	0.8
125.04409	0.9
133.02979	0.6
134.03748	0.9
134.06136	2.2
135.04546	5.4
137.02417	1.2
137.09813	0.7
139.04016	0.5
140.07190	12.0
141.05698	0.5
143.03529	0.6
145.02925	0.6
146.36845	0.5
149.00920	2.7
149.04628	0.7
149.06059	1.1
150.03241	1.5
151.00362	1.1
151.03903	0.7
152.01166	2.1
152.07109	0.6
153.01895	1.0
157.17508	0.5
161.02478	1.3
161.04558	0.7
163.04041	1.4
163.11284	1.2
164.04745	0.5
165.05602	0.9
166.05104	54.1
167.03477	0.8
167.05496	2.6
179.03488	2.6
181.05019	0.7
184.06157	100.0
185.06540	4.0
189.12862	0.9
191.05559	1.0
203.05542	0.7
207.13882	0.8
243.02841	0.5
271.02557	0.6
277.10657	0.6
283.10934	0.9
293.03104	1.1
301.03455	0.5
308.44354	0.5
309.08932	0.8
310.08435	0.5
316.61716	0.5
429.21414	0.6
435.14856	0.6
456.15930	0.7
506.19739	0.6
519.24432	1.7
524.20374	0.8
534.19092	1.1
548.20331	2.1
561.25507	22.3
562.25659	3.5
566.21375	5.6
567.21484	0.8
590.21637	1.8
591.22479	0.6
608.21948	1.0
640.34821	0.8
641.20874	1.1
668.39777	1.4
685.91602	0.6
686.40814	0.7
728.31006	3.1
729.31604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
61.98840	1.0
67.85240	0.2
71.01379	0.2
73.02951	3.0
78.95919	0.5
99.00896	0.6
99.92585	10.8
100.92612	0.7
101.02509	0.2
114.93405	0.5
116.92863	100.0
116.97211	1.1
117.01939	4.6
117.92873	5.5
122.97626	0.2
127.93814	0.2
158.45935	0.2
189.79059	0.2
241.96558	0.2
352.37766	0.2
368.84668	0.2
397.13812	0.2
502.79062	0.2
628.19617	0.2
782.54803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	0.3
58.16295	0.3
59.01377	3.6
60.32504	0.3
70.21281	1.0
71.01380	2.5
74.02460	0.7
82.54057	0.3
85.02937	0.7
86.02456	0.3
87.00877	0.9
89.02454	2.1
93.03453	1.0
99.05628	0.7
101.02438	1.3
101.89444	0.3
108.04535	0.5
109.02949	0.8
112.98819	0.7
113.02451	1.0
119.03506	0.6
119.05015	1.0
121.02948	3.8
125.02480	0.4
128.03525	1.5
134.03734	1.3
135.04567	3.1
135.05531	0.6
136.01724	0.4
137.02437	1.0
138.05533	0.5
143.03568	0.4
143.04625	2.1
145.02971	0.3
148.01718	0.4
149.01048	0.8
149.02441	25.2
150.02805	1.0
151.00374	0.4
151.04016	0.7
152.01147	5.0
153.06694	0.3
161.04462	0.5
163.03999	4.7
164.04791	21.8
165.01930	1.1
165.05147	1.2
166.02602	0.5
166.10001	0.4
167.03494	1.3
167.04723	0.3
168.00769	0.5
169.05052	2.3
175.04019	0.3
177.05579	0.5
179.03378	0.7
179.05693	0.9
179.07106	8.8
180.04390	0.4
181.08624	0.3
193.01413	12.7
193.04979	0.6
194.01704	0.5
208.03760	35.1
209.04153	2.3
223.06105	100.0
224.06447	6.6
233.04482	0.5
238.41943	0.3
254.07796	0.4
255.02962	0.6
271.02496	1.1
272.08981	0.8
275.09259	0.5
299.02026	0.8
300.02753	1.2
301.03351	0.3
306.07666	4.9
307.07928	2.5
308.07471	0.5
313.03317	0.4
318.42496	0.4
327.08896	0.5
341.98914	0.4
361.16528	0.4
385.11395	23.0
386.11807	2.9
561.89520	0.4
582.61041	0.4
681.17126	0.6
771.20197	1.1
772.21106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
61.98840	0.9
63.02422	0.7
65.00349	1.6
67.79734	0.6
69.33707	4.3
69.34127	1.4
71.01390	1.7
72.99317	0.8
74.02451	0.7
83.01392	1.4
85.02983	0.7
87.00912	1.4
89.02475	0.6
93.03474	0.9
95.01452	0.7
101.02474	0.8
107.01381	3.1
108.02190	2.1
109.02967	2.0
112.98814	1.7
113.02495	0.9
119.01366	0.5
119.05019	1.8
121.02959	2.4
124.01617	0.6
125.02450	0.8
127.04124	0.6
128.03543	1.4
130.25613	0.5
133.02925	0.7
135.00873	0.7
135.04536	3.0
137.02466	0.9
143.04643	2.0
148.01662	1.0
149.00908	2.5
149.02483	1.1
151.00374	11.4
152.01144	1.8
153.01947	1.1
161.02472	1.4
163.00357	1.7
163.04019	2.1
175.03978	0.9
178.99857	6.8
179.03476	1.2
192.00679	0.8
199.04044	0.8
203.03595	0.7
206.08208	0.6
211.03859	1.0
215.03426	1.1
216.04227	0.7
222.34181	0.7
226.02695	1.9
227.03603	3.2
243.02972	11.4
244.03336	1.7
245.04445	0.7
253.01566	0.7
254.02133	3.0
255.02982	27.4
256.03476	2.8
271.02472	59.0
271.91342	0.7
272.02914	7.2
272.08908	0.7
285.04083	2.0
299.01987	5.2
300.02747	100.0
300.66336	0.6
301.03378	24.6
302.03690	1.4
306.07678	4.7
307.07974	2.1
313.03561	2.0
327.08679	2.1
339.10733	0.8
361.16461	2.7
372.04868	2.1
444.58478	0.7
463.08594	1.3
553.83545	0.6
591.13531	0.9
609.14575	15.5
610.14868	2.4
681.16669	5.7
682.16870	1.2
693.16479	0.9
717.16589	1.2
771.19855	51.6
772.20209	11.9
797.90820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57452	0.6
59.01379	4.0
59.03286	0.7
63.02374	1.3
65.00308	1.9
67.01838	0.7
69.55908	4.3
69.56320	1.3
71.01367	1.3
83.01375	2.7
83.05027	0.7
85.02937	2.8
87.00869	2.3
92.74002	0.7
93.03474	0.8
95.01382	0.9
99.05623	0.7
101.02427	0.8
107.01407	5.6
108.02186	4.2
109.02933	2.4
112.98816	1.6
113.02473	1.0
114.86173	0.6
119.05025	2.1
121.02935	4.7
123.04554	0.9
125.02463	1.8
127.04006	1.3
135.04477	1.6
137.02492	0.7
139.00339	1.1
147.04498	0.7
149.00925	2.1
149.06224	0.8
151.00377	22.0
152.01140	6.9
153.01991	0.8
161.02478	0.9
163.00320	1.9
163.03990	2.1
164.01065	0.6
164.07126	1.0
167.03473	0.8
169.01398	2.7
175.04048	0.8
178.99869	10.2
179.03418	1.2
193.01418	1.0
193.04991	0.7
199.02399	1.6
199.03944	0.8
206.08131	1.2
211.04066	0.8
216.04262	0.9
227.03421	1.8
229.04893	0.7
241.73717	0.8
243.02953	4.8
244.03426	1.1
245.04483	0.7
254.02202	2.2
255.02962	18.3
256.03299	2.0
269.13992	0.7
271.02472	38.9
272.02887	4.6
273.04083	1.5
299.02081	3.6
300.02740	79.7
301.03485	61.3
302.03809	5.0
306.07614	2.1
307.08020	1.2
327.08615	0.9
392.66913	0.8
399.09232	1.2
463.08783	10.1
464.09290	2.4
544.01746	0.7
609.14569	100.0
610.14929	18.8
764.67542	0.8
771.20288	3.6
772.20599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1985
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
65.00335	1.5
69.41915	7.6
70.27287	1.0
71.01389	0.9
80.88843	0.9
90.98899	1.1
94.81664	0.9
107.01379	2.5
109.02962	1.8
115.16924	0.9
119.05043	4.8
119.73579	0.9
121.02985	0.9
121.89471	0.9
122.18114	1.0
125.02386	1.2
133.02908	0.9
151.00362	7.3
163.04007	4.7
178.99873	3.4
187.03972	1.1
199.03944	2.3
215.03482	1.6
226.02647	2.0
227.03450	4.1
243.02934	4.3
255.02936	3.9
271.02484	55.9
272.02744	5.0
299.01959	100.0
300.02628	35.8
301.03503	34.2
302.03833	3.3
313.03415	1.5
314.12311	1.1
462.08142	10.2
463.08664	7.4
608.13208	1.1
609.04559	1.5
609.14545	35.6
610.14813	7.0
771.19855	53.8
772.20294	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	770.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.9
59.03017	0.1
61.98837	100.0
62.63009	0.2
62.98522	0.2
62.99265	0.2
66.61487	0.1
70.56700	0.1
71.01395	1.0
71.39561	0.3
73.02962	0.5
83.01396	0.2
83.05022	0.2
85.02965	0.4
86.52482	0.1
87.00877	0.7
89.02465	0.3
96.96044	0.6
99.00906	0.2
101.02459	0.7
101.05302	0.1
108.02189	0.2
109.02959	0.2
111.00820	0.2
112.98829	1.3
113.02504	0.4
116.92857	0.2
119.05054	0.6
121.02934	0.2
121.06630	0.1
127.11232	0.1
128.13257	0.1
133.02986	0.3
134.03757	0.2
135.04547	1.5
136.04996	0.2
137.02448	0.4
145.02991	0.2
149.00887	0.3
149.06073	0.3
152.01195	0.4
155.10783	0.3
161.02480	0.3
163.04050	0.6
164.04796	0.2
164.39265	0.2
171.40071	0.2
177.01915	0.2
179.03506	0.7
179.07179	0.2
193.05157	0.2
199.09877	0.3
209.08273	0.1
216.04282	0.2
219.03207	0.1
238.15475	0.2
277.03635	0.2
293.03110	0.3
303.46091	0.1
331.37173	0.2
371.15152	0.3
477.31024	0.4
523.33038	0.4
609.30640	0.2
727.38397	0.4
733.36450	0.2
771.34955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34459	0.1
57.03463	0.2
59.01382	2.8
61.98832	100.0
62.98515	0.2
71.01388	1.4
71.61745	0.2
72.99323	0.3
73.02953	0.7
75.00868	0.2
79.95744	0.2
83.01399	0.2
85.02961	0.5
87.00871	0.8
89.02459	0.6
96.96008	0.6
101.02433	0.8
108.02209	0.7
109.02994	0.4
112.98833	1.3
113.02474	0.6
119.03500	0.2
119.05054	0.6
121.02940	0.2
123.04544	0.2
123.08170	0.2
127.00496	0.2
133.02975	0.2
134.03743	0.5
135.04526	1.6
137.02490	0.4
145.02957	0.2
149.00938	0.4
149.06151	0.3
149.07552	0.1
150.03221	0.2
152.01149	1.3
155.10776	0.6
160.22076	0.2
161.02507	0.3
161.04588	0.3
162.06909	0.2
163.04042	0.6
163.07738	0.2
164.04750	0.3
165.05576	0.2
177.05531	0.1
179.03513	1.0
183.13924	0.2
193.05058	0.2
199.09810	0.3
203.03508	0.2
215.07333	0.2
219.03058	0.3
227.12965	0.2
277.03482	0.2
293.03110	0.5
315.25516	0.3
477.30673	0.6
522.35028	0.3
609.31488	0.2
614.30872	0.2
667.40564	0.3
727.36420	1.0
771.34460	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03435	2.9
58.00594	0.9
59.01383	43.2
60.66318	0.7
61.98831	8.3
69.03474	1.1
71.01388	14.7
72.99305	1.8
73.02951	5.6
79.90023	0.7
83.01388	2.5
83.05036	0.8
84.97291	0.7
85.02946	5.8
87.00875	7.4
89.02449	6.1
93.03390	0.7
95.01371	1.3
96.96016	1.6
98.19827	1.4
99.00879	2.0
101.02451	8.5
103.00368	1.1
103.09922	0.8
105.84794	0.6
109.02962	1.0
112.98804	5.0
113.02450	6.1
119.03476	2.3
119.05014	1.8
121.02943	1.5
123.04556	1.0
125.02444	2.6
135.04532	4.7
137.02409	1.2
143.03484	1.0
145.03131	0.7
149.00925	3.8
149.04491	1.2
150.03235	0.9
161.02455	1.5
161.04552	3.1
163.04039	1.2
163.11259	1.2
165.05530	1.2
167.03383	1.0
168.00639	1.1
175.03920	1.0
177.01923	0.9
179.03508	3.2
179.05457	0.9
187.07318	0.7
189.12871	1.5
203.03404	0.9
205.12329	2.3
207.10214	3.4
219.03001	0.8
223.13370	2.2
229.45776	0.7
253.21765	1.9
289.07407	0.8
293.03070	1.3
310.58707	0.7
313.23901	1.3
341.27039	1.7
359.23441	0.9
359.27963	12.7
360.28174	1.4
363.19513	0.7
387.15244	0.7
387.20282	4.8
393.75357	0.8
395.07648	0.7
409.58081	0.9
429.21393	1.0
503.32321	8.6
503.39536	1.0
504.32684	1.2
519.24054	0.7
521.33337	34.7
522.33734	6.1
545.33459	2.3
563.34357	100.0
564.34680	15.8
597.14380	0.8
637.32349	18.4
638.32916	3.6
665.38336	1.4
683.39240	1.4
725.39771	1.2
769.32251	4.2
770.32874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36488	0.2
59.01379	1.8
61.98830	100.0
62.29966	0.1
62.98534	0.2
65.44585	0.1
66.07332	0.1
69.06078	0.1
71.01386	0.9
72.99306	0.3
73.02955	0.3
73.90605	0.1
75.00875	0.2
83.01385	0.2
85.02950	0.4
87.00894	0.5
89.02438	0.3
96.96025	0.2
98.20642	0.4
99.00903	0.2
99.26907	0.2
101.02452	0.3
103.00377	0.2
109.02949	0.2
112.98828	0.8
116.92855	0.2
119.05019	0.3
121.02956	0.2
121.06602	0.2
123.04499	0.2
133.02930	0.2
133.06503	0.2
135.04518	0.7
149.00931	0.3
151.48689	0.1
152.01218	0.2
161.02452	0.3
164.04822	0.2
165.05580	0.3
167.03532	0.7
171.10226	0.2
178.02475	0.2
179.03502	0.5
207.10364	0.2
209.08133	0.3
209.11864	0.4
247.32693	0.2
290.18634	0.3
293.03140	0.3
300.69211	0.2
307.19312	0.2
308.19400	0.3
311.22495	0.2
340.12799	0.2
365.65781	0.2
384.11737	0.2
503.30530	0.2
544.19116	0.3
725.37701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03443	4.0
58.00578	1.2
59.01381	41.5
61.98828	7.3
69.03449	0.8
70.12887	0.5
71.01385	15.1
71.62325	0.7
71.62715	0.9
72.99295	2.2
73.02940	5.7
74.94032	0.6
81.03439	0.7
82.68761	0.5
83.01365	2.3
83.05020	1.1
84.99334	0.8
85.02946	4.9
87.00871	6.4
88.98807	0.6
89.02448	5.3
93.03445	0.8
95.01384	1.1
97.02937	0.7
99.00863	1.2
101.02442	8.1
103.00377	0.9
109.02973	0.9
112.98808	4.7
113.02459	5.1
116.92857	0.9
119.03516	1.5
119.05017	1.7
121.02967	0.9
123.00860	0.7
125.02402	2.1
133.02934	0.7
135.04515	3.8
137.02443	0.9
143.03528	0.7
145.03017	1.0
147.04456	0.7
149.00925	3.3
149.04616	0.9
150.03195	0.7
152.01178	0.9
157.40485	0.6
161.02396	1.8
161.04515	1.6
163.04012	0.8
163.07597	1.1
163.11282	1.2
168.00648	1.2
175.03957	0.9
179.03462	2.0
179.05540	1.4
189.12900	0.9
205.12320	2.4
207.10242	5.1
223.13397	3.2
249.11337	1.0
253.21742	1.7
277.03601	1.6
313.23825	1.3
341.26877	1.6
359.28012	13.1
360.28418	2.4
387.20190	3.8
429.21347	1.4
485.31427	0.7
503.32297	9.8
504.32211	1.6
521.33301	29.6
522.33643	6.3
545.33167	1.9
563.34344	100.0
564.34692	19.0
637.32294	19.1
638.32587	4.4
665.37714	1.3
683.39081	1.1
725.39618	1.1
769.32520	3.5
770.32800	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.3
59.01093	0.2
59.01379	3.2
60.99307	15.0
61.66705	0.1
61.98841	1.1
65.93894	0.1
69.03469	0.3
70.93827	0.3
71.01378	1.4
72.99303	0.4
73.02943	0.4
75.00903	0.2
83.01381	0.5
83.05024	0.2
85.02941	0.5
87.00889	1.7
88.00391	1.1
88.98807	100.0
89.02440	2.6
89.99139	1.2
93.03475	0.2
95.01362	0.2
95.05044	0.2
96.96020	0.2
97.02924	0.4
97.06585	0.2
99.00906	0.2
99.92587	0.2
101.02421	0.7
103.00380	0.3
107.04990	0.2
108.02176	0.3
109.02954	0.5
111.00860	0.2
112.98829	1.2
113.02448	0.5
115.04039	0.1
115.92102	0.2
116.92843	0.4
117.92857	0.2
119.03468	0.1
119.05052	0.7
121.02940	0.4
123.04512	0.4
125.02445	0.4
125.06059	0.3
127.00376	0.3
130.99857	0.3
132.02144	0.1
133.02975	0.6
133.05093	0.1
134.03755	0.7
135.04529	2.7
136.04831	0.2
136.07697	0.3
137.02460	0.8
139.03990	0.2
143.03496	0.2
145.02989	0.3
147.04518	0.3
149.00925	2.1
149.02448	0.3
149.06056	0.2
150.03214	0.4
151.04013	0.2
152.01115	0.2
159.04582	0.2
160.01683	0.8
160.04048	0.7
161.02460	1.2
161.04489	0.1
161.06110	0.1
163.04008	0.7
165.05556	0.4
167.03499	0.6
172.75940	0.1
175.02740	0.2
175.03993	0.8
177.01918	0.2
178.02776	0.2
179.03476	1.6
179.08316	0.3
180.03900	0.2
181.08643	0.3
187.04050	0.1
189.05501	0.2
191.03491	0.3
191.07141	0.7
193.05020	0.4
203.05624	0.1
209.08173	1.7
210.08661	0.1
217.97209	0.1
219.03023	0.6
220.03558	0.1
223.06075	0.2
229.34996	0.1
241.05020	0.1
267.11511	0.2
283.10361	0.2
293.03113	0.9
300.02808	0.2
311.04044	0.1
327.08862	0.2
389.17825	0.2
429.21671	0.2
503.31992	0.1
545.24689	0.2
561.25165	0.2
561.64197	0.1
589.23517	0.2
605.18494	1.2
606.19592	0.4
635.31458	0.2
647.36548	0.2
663.36133	0.2
665.37756	0.5
677.49536	1.3
678.50684	0.5
725.39459	0.2
767.31915	0.7
768.32251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.5
57.64063	2.3
59.01093	3.1
59.01380	46.5
61.98831	100.0
69.03458	4.1
70.50360	2.1
71.01386	25.8
71.91630	2.4
72.99313	6.3
73.02962	11.0
83.01398	5.4
85.02942	6.3
87.00877	12.8
89.02464	16.5
91.00109	2.2
95.01386	2.3
96.96027	3.1
97.02955	7.2
97.06569	3.3
98.20634	5.1
99.00835	5.0
99.04543	3.5
100.27964	2.3
101.02443	14.1
109.02925	3.0
111.04525	2.3
111.08157	3.1
112.98821	19.1
113.02456	12.0
116.92860	2.4
117.05573	3.3
119.03527	4.6
119.05017	6.9
119.64146	2.3
121.02931	4.3
121.37350	2.4
123.04512	4.0
125.02424	4.9
130.08676	2.0
131.03484	2.6
133.02902	2.5
134.03734	3.1
135.04541	15.5
137.02457	4.3
137.09753	3.8
139.00346	2.6
149.00923	4.6
152.01070	3.3
159.04440	2.3
161.02397	6.4
161.04503	5.6
163.03978	7.9
165.12920	2.7
167.03467	8.4
171.10249	7.9
177.01935	4.9
178.02734	2.5
179.03458	9.5
179.05647	5.1
191.07172	2.1
197.11806	12.6
209.11931	3.0
227.12827	3.3
229.43231	2.4
235.08113	3.5
237.07449	3.4
247.20731	2.9
254.97777	2.3
291.19647	26.1
293.02954	4.0
309.20715	86.1
310.21057	8.0
330.60263	2.3
375.27536	3.8
397.13513	34.4
398.14090	2.9
415.14581	31.0
416.14832	3.3
473.25272	2.8
519.32990	8.8
635.35345	3.9
707.34943	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	767.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31564	0.5
55.99362	0.4
59.01382	1.2
59.16859	0.5
60.98993	0.9
60.99309	18.2
61.63578	0.4
61.98821	1.6
71.01389	0.7
71.62095	0.6
71.62476	0.6
76.70250	0.5
87.00873	2.1
88.00401	4.3
88.98810	100.0
89.02443	12.1
89.99132	1.5
139.73868	0.5
164.75967	0.6
182.82056	0.4
195.13901	0.9
221.11845	1.9
223.13400	1.2
239.12901	3.3
239.15085	0.6
253.09343	0.6
279.23303	0.7
279.86737	0.5
291.19769	2.2
309.20901	0.7
334.56491	0.5
397.13538	1.3
473.36621	0.6
474.36584	0.8
620.26666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.37
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
60.99305	18.8
61.98819	0.7
69.70186	1.2
71.01375	0.2
87.00879	1.7
88.00397	2.8
88.01221	0.3
88.98804	100.0
89.02439	7.3
89.99142	1.3
129.04730	0.2
137.69786	0.2
144.95117	0.3
163.79024	0.2
235.08319	0.2
239.38998	0.2
279.23297	0.3
293.21390	0.4
397.13611	0.5
575.04138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.0
59.01383	11.2
61.98831	11.8
63.36980	0.7
69.03462	1.2
71.01388	7.8
71.22823	1.2
72.99314	1.3
73.02938	1.8
75.00881	5.5
83.01395	2.1
83.05033	1.5
85.02972	2.2
87.00874	3.1
89.02465	4.7
95.04987	1.1
97.02972	1.2
99.00859	0.8
99.40230	0.7
101.02451	5.3
101.08573	1.0
105.03458	1.9
109.02947	1.5
112.98827	2.0
113.02449	3.0
119.03487	1.9
120.80957	0.8
121.02930	2.0
125.02444	1.9
133.02937	1.4
134.03754	1.5
135.04544	2.0
139.11264	1.3
146.03758	1.7
149.02437	2.8
151.04008	8.2
161.02452	25.6
161.04486	1.1
162.02771	1.6
163.47466	0.8
164.04800	2.3
165.05624	1.4
165.12852	2.8
167.10698	0.8
171.10361	1.0
176.04785	14.7
177.05289	1.1
178.02548	1.1
179.03500	44.6
179.06973	5.9
180.03812	2.7
189.09181	1.5
191.07144	7.2
193.15950	1.0
194.05832	44.8
195.06151	2.2
201.09125	1.0
203.10773	0.8
209.08185	100.0
209.11780	8.1
209.26323	0.9
210.08533	7.5
235.08299	1.3
247.20682	3.4
253.09267	1.1
265.21539	1.2
291.19659	12.6
292.19901	1.7
309.20712	28.2
310.21054	2.8
338.11526	1.1
353.13870	2.8
355.15436	1.5
397.13443	12.0
398.13770	1.5
415.14566	9.9
531.19287	1.0
545.22021	1.0
558.20532	1.5
563.22595	1.3
707.34845	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	767.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.1
57.03445	13.9
58.00588	3.6
59.01378	100.0
60.01709	2.0
61.98826	13.2
68.99832	2.0
69.03463	3.9
69.45544	1.2
71.01380	28.1
71.62107	1.7
72.99311	7.2
73.02949	24.2
74.16071	1.5
75.00901	2.2
81.03455	1.4
83.01379	23.6
83.05024	6.5
83.29644	1.2
84.99332	1.4
85.02950	8.9
87.00876	36.8
89.02450	8.8
93.03461	1.9
95.01407	3.8
95.05033	2.4
99.00911	3.6
99.04504	4.2
101.02441	27.0
103.00362	7.6
108.02181	2.1
109.02945	4.5
111.00919	1.9
112.98818	23.1
113.02451	22.9
116.92853	1.8
117.03484	1.6
119.03499	4.6
119.05006	6.9
121.02969	2.0
122.06093	1.8
123.04581	3.1
123.44958	1.3
125.02463	3.7
125.06075	3.1
126.15668	1.4
127.00339	1.5
130.99858	4.0
131.03500	2.4
132.04543	5.7
133.02979	3.1
133.10271	1.5
134.03749	7.8
134.06111	7.3
135.04533	17.6
137.02444	4.6
139.03973	1.4
143.03522	2.6
145.02939	3.1
149.00925	17.4
149.02142	2.4
149.04515	1.7
149.06082	3.2
152.01134	2.0
153.01843	1.7
160.01694	2.3
161.02425	4.4
161.04582	7.8
161.08368	1.5
161.09700	3.3
161.13356	2.6
163.04010	5.2
163.11258	8.4
165.05576	3.3
175.04013	3.7
177.09178	1.6
178.02679	3.2
179.03500	9.2
179.05659	2.2
179.07085	2.9
181.05002	2.1
187.11241	4.7
193.05051	12.7
203.03526	1.9
205.12300	9.4
207.06462	1.6
207.10278	24.9
208.10539	1.8
219.02888	1.8
223.06111	4.5
223.13382	69.7
224.13763	4.0
231.02754	1.4
247.13416	4.9
249.11298	7.1
251.12021	2.7
256.32336	1.4
265.14380	9.7
267.12366	45.0
268.12646	4.2
279.11285	4.4
293.02908	3.0
295.15564	2.5
297.12451	2.6
309.13440	5.9
323.10303	3.3
325.05698	3.8
325.16595	3.3
327.09735	1.9
339.14517	7.6
341.11591	4.7
355.13034	9.5
369.15494	36.8
370.15863	4.8
373.14099	4.4
383.12180	1.8
415.15030	20.1
429.17581	48.8
430.17966	6.7
519.31750	3.8
561.32849	22.0
562.32800	4.2
635.20001	2.5
635.30750	49.7
636.31152	11.8
651.08044	1.4
663.35522	2.2
681.37579	2.2
723.39465	1.7
767.31042	15.2
768.31299	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	767.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01379	5.4
61.98831	5.3
69.03457	0.4
71.01383	3.9
71.62424	0.4
72.99322	0.6
73.02946	0.8
75.00874	3.4
75.81396	0.4
81.03468	0.5
83.01392	1.1
83.04992	0.6
85.02967	0.7
87.00896	1.5
88.98814	0.5
89.02433	2.7
90.18418	0.4
93.03481	0.4
95.05048	0.9
96.96012	0.5
97.02940	0.5
101.02442	2.7
105.03455	2.5
107.05050	0.4
112.98772	1.6
113.02457	1.2
117.03423	0.3
119.03510	0.6
121.02950	1.2
123.04553	0.7
125.02473	0.7
125.09693	0.7
133.02956	2.4
134.03723	0.8
135.04558	1.7
137.02431	0.7
143.03502	0.4
146.03693	2.0
149.01044	0.7
149.02452	3.3
149.06068	0.3
150.03241	0.9
151.03999	6.5
161.02438	30.8
161.04631	1.0
161.06073	0.8
162.02814	1.7
163.04005	0.7
163.11292	0.9
164.04810	3.8
165.05493	0.8
165.12860	1.3
167.10690	0.4
171.10335	0.6
175.03946	0.6
175.07689	0.5
176.04782	18.2
177.02061	0.4
177.05176	1.1
177.09177	0.3
179.03493	48.0
179.07005	5.4
180.03839	2.5
180.07417	0.3
181.12321	0.3
187.07658	0.6
189.05658	0.3
189.09209	1.9
191.07115	7.2
192.07518	0.6
193.05090	0.7
193.15834	0.5
194.05832	47.0
195.06133	2.8
201.09175	0.9
203.10797	1.5
209.08182	100.0
209.11720	3.8
210.08507	6.9
219.02727	0.4
235.08131	1.0
247.20656	0.8
265.21707	1.0
273.18747	0.5
283.06015	0.6
291.19690	5.1
292.20044	0.6
293.21332	0.9
295.05969	0.5
309.20688	10.9
309.24164	0.7
310.20929	0.8
311.09012	0.4
325.38837	0.4
338.11673	0.6
339.12054	0.8
339.58829	0.3
353.13937	3.5
354.14523	1.4
355.15448	1.1
397.13467	5.7
398.13818	1.0
405.11816	0.3
415.14590	4.5
448.64877	0.4
466.06705	0.5
545.21783	1.2
558.21021	1.5
559.21027	0.5
563.22412	0.5
607.26477	0.7
617.30597	0.4
707.34656	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.8
59.01380	21.7
62.17905	0.4
62.34593	0.4
71.01385	1.0
71.13395	1.0
72.99306	2.7
87.00876	12.4
88.01221	0.5
93.03448	0.6
103.00378	10.1
105.01968	0.5
112.98803	1.4
115.00346	0.6
119.05029	57.1
120.05377	3.0
130.99869	6.4
133.01450	2.3
135.04546	1.0
149.00919	30.8
149.05779	0.5
150.01253	0.6
163.04008	100.0
164.04361	4.8
177.01921	1.7
179.03477	1.2
209.26979	0.4
295.04593	20.6
296.04944	1.6
323.13574	0.6
329.43777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
61.97352	0.2
61.98829	17.7
67.32236	0.2
71.01386	1.5
72.99281	0.3
73.02919	0.4
75.00862	1.5
76.89079	0.2
83.01411	0.4
85.02959	0.4
87.00878	0.5
87.97514	0.2
93.03445	0.8
95.05027	0.6
96.96021	0.4
98.19888	0.8
101.02440	0.5
105.03453	2.3
108.02199	0.3
109.02938	0.6
112.98811	1.1
113.02431	0.4
119.05025	0.4
121.02953	2.5
123.04520	0.3
125.02479	0.3
133.02940	1.7
134.03731	1.1
135.04491	1.3
136.01555	0.3
137.02406	0.6
145.02948	0.5
146.03712	1.1
147.04524	0.6
149.01147	0.4
149.02443	3.4
150.03189	0.8
151.04005	7.0
152.04399	0.3
161.02446	29.2
161.06064	0.6
162.02751	1.8
163.03951	0.4
164.04788	2.9
165.05533	0.9
167.03503	0.6
171.10280	0.3
174.07051	0.3
176.04781	17.3
177.01898	0.3
177.05170	1.1
177.09134	0.4
179.03494	44.9
180.03847	2.7
180.07423	0.3
189.09209	2.1
191.07140	6.6
192.07512	0.4
193.05081	0.4
194.05830	46.7
195.06180	2.7
201.09193	1.3
203.10835	0.8
209.08182	100.0
210.06519	0.4
210.08530	6.9
215.59990	0.2
229.41516	0.3
283.06021	0.7
290.14691	0.2
295.06235	0.6
309.20016	0.3
323.64288	0.3
338.11670	1.4
339.12183	0.9
353.13913	3.9
354.10257	0.2
354.14615	1.0
355.15399	1.0
545.21753	1.4
558.21100	2.1
559.21625	0.6
563.22894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03441	3.7
59.01383	17.1
61.98826	7.4
68.99820	1.7
69.03455	1.0
71.01383	25.4
72.99310	11.1
73.02948	4.2
75.00880	14.8
83.01417	3.3
83.05059	0.7
85.02953	16.1
87.00868	3.0
88.98838	0.8
89.02445	7.5
95.01361	2.8
99.00888	12.6
99.04462	0.7
101.02451	2.9
109.02917	0.7
112.93248	0.6
112.98817	7.8
113.02463	8.8
115.00362	0.6
116.92852	1.4
119.05019	1.7
121.02959	1.2
131.03519	1.4
133.02953	2.3
134.03687	2.1
135.04497	2.3
137.02422	1.9
138.40848	0.6
139.00331	0.8
149.00909	1.8
161.02454	0.8
163.03989	0.9
171.10301	0.8
177.01959	1.0
178.02649	1.5
179.03523	1.3
179.07164	0.7
187.07710	0.8
193.08618	0.7
307.19128	1.2
327.16159	1.0
345.17014	2.2
357.26462	2.3
375.27457	6.5
376.27554	1.0
389.29245	1.1
397.13376	0.8
415.14383	1.2
417.28491	0.9
455.35254	2.2
457.36874	1.5
525.39581	1.1
527.81561	0.8
541.98834	0.7
571.39380	0.9
634.29755	0.8
661.08459	0.8
765.44305	100.0
766.44678	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	765.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
55.40617	0.5
57.03452	3.4
58.00572	0.9
59.01382	14.8
61.98829	8.6
68.99818	1.5
69.03473	0.5
71.01388	21.0
72.99306	2.3
73.02940	2.1
75.00876	13.6
75.39145	0.5
83.01381	2.7
85.02953	22.1
86.03283	0.7
87.00886	3.8
89.02448	6.9
95.01397	2.9
99.00884	12.4
101.02429	1.9
103.94426	0.6
111.00883	0.8
112.01636	1.1
112.29442	0.5
112.98825	6.0
113.02460	16.4
115.00322	0.7
121.02934	1.2
128.38177	0.6
131.03494	0.7
133.02962	2.9
134.03705	2.1
135.04498	1.9
137.02425	0.9
139.00415	1.0
149.00911	1.4
152.16539	0.6
157.01404	1.8
161.02402	0.7
163.03896	0.6
167.03482	0.9
177.01889	2.1
178.02711	1.4
179.03557	1.2
211.13274	1.2
270.47311	0.6
275.09329	0.9
345.17078	1.5
355.24274	0.5
357.26660	2.5
375.27451	6.3
376.27716	1.1
391.29843	0.6
437.34097	0.8
457.36832	0.8
517.32233	0.6
566.31384	0.6
589.30933	0.5
633.29480	0.7
682.17792	0.6
686.85101	0.6
765.44318	100.0
766.44672	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	765.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71311	0.6
59.01389	0.9
63.96242	1.1
68.03643	0.8
69.03430	0.7
70.35818	2.6
71.01380	6.9
73.02930	1.6
78.98602	5.6
79.95737	12.1
80.96518	71.4
81.03450	1.0
83.01377	0.8
85.02952	2.5
87.00887	2.8
94.98087	16.1
94.98660	1.3
96.96024	1.1
97.02951	1.5
101.02428	1.8
106.98083	3.0
119.24784	0.6
121.65508	0.7
122.97582	2.5
125.02514	3.2
127.04004	1.0
130.30984	0.7
134.97585	5.9
136.99158	1.5
147.38864	0.6
148.99155	6.5
152.98618	6.9
164.98621	14.2
183.13884	2.9
192.22327	0.8
197.87170	0.8
206.99721	3.4
224.98615	1.2
225.00749	21.0
225.02948	1.0
255.23248	2.1
293.50967	0.8
365.74484	0.7
377.66013	0.7
480.52209	0.8
509.16910	2.4
765.40991	100.0
766.41284	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.41
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
61.52503	0.6
63.96227	2.2
69.03457	1.0
69.26724	4.1
69.27158	2.7
71.01377	10.0
71.57205	0.6
73.02946	2.1
78.98592	7.0
79.95739	14.5
80.96516	88.8
81.03482	1.1
87.00874	3.8
94.98088	19.4
96.96041	1.6
97.02954	1.6
101.02431	2.4
106.98049	3.4
122.97578	4.2
125.02461	3.2
127.03983	1.0
131.33109	0.6
134.97581	6.8
136.99080	1.5
148.99147	8.8
152.98636	8.5
164.98627	15.8
167.00175	0.7
183.13838	3.3
206.99706	3.7
225.00720	27.8
226.01106	0.8
245.16571	0.7
255.23260	2.3
415.83484	0.6
509.16843	3.3
537.27344	2.4
594.63550	0.7
640.53479	0.8
645.56970	0.7
765.40942	100.0
766.41241	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	765.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47211	0.6
58.76661	0.6
59.01380	2.2
61.98832	1.0
63.96234	1.9
69.03452	0.7
69.30780	4.7
69.31184	1.1
71.01383	10.0
73.02950	2.5
78.98592	6.5
79.95736	13.8
80.96519	87.3
81.03442	1.5
87.00877	3.2
92.86148	0.8
94.98090	21.3
96.96013	1.2
97.02951	2.7
98.19806	1.0
101.02425	3.7
106.98109	3.4
122.97594	4.0
125.02449	4.1
127.03990	1.4
134.97594	6.5
136.99118	1.8
148.99135	7.3
152.98654	7.3
164.98636	14.2
167.00252	0.6
182.45731	0.6
183.13893	3.1
193.49284	0.6
206.99628	3.3
209.11829	3.2
209.35611	0.5
225.00763	23.2
234.87473	0.6
255.23178	1.4
277.21640	3.4
509.16910	2.5
537.27405	1.4
765.40930	100.0
766.27026	1.2
766.41241	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	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.3
59.01100	3.3
59.01379	60.9
60.74129	3.0
61.08761	3.1
61.98831	34.0
69.03445	4.8
69.81101	10.1
69.81502	5.9
71.01379	45.7
72.34475	2.8
72.99302	7.9
73.02948	12.7
75.00854	6.5
81.03459	3.9
82.56867	2.9
83.01382	8.1
85.02945	12.7
87.00872	22.5
89.02451	32.3
89.68370	2.7
91.24110	3.1
93.03445	3.3
93.19421	2.8
95.01382	3.3
96.95992	6.4
97.02959	6.8
97.06583	7.0
99.00884	5.8
99.04522	5.6
101.02431	35.0
103.00350	4.6
112.98822	39.0
113.02419	17.8
115.07596	2.9
119.03468	10.1
119.05048	4.9
121.02929	5.0
123.04510	9.5
123.08206	3.3
124.01627	3.4
125.02447	10.7
125.09721	5.3
133.02936	6.2
134.03708	5.1
135.04518	19.3
137.02449	9.3
137.09695	7.7
143.03471	3.8
149.00865	12.8
149.04539	3.7
152.01105	4.5
153.02054	3.7
159.04431	5.6
161.02429	5.4
161.04584	6.1
163.03938	4.5
163.11284	9.4
167.03499	8.2
169.12328	5.1
171.10262	7.7
177.01785	3.4
178.02779	5.1
179.03386	4.7
179.05565	8.3
185.11803	10.9
187.07724	4.1
190.62717	3.1
191.14381	9.5
203.10745	3.8
207.10216	6.7
209.11754	26.8
211.13397	6.1
215.51189	3.1
216.10806	3.6
217.42451	3.1
225.11314	6.3
235.08098	8.8
237.11273	4.6
245.19273	18.2
248.66461	3.2
260.99997	3.3
289.18076	95.1
290.18390	11.1
293.03040	6.8
307.19150	100.0
308.19641	5.3
309.14850	4.0
323.09360	4.0
341.83691	3.7
345.16968	7.2
357.26495	8.0
370.59055	3.7
375.27475	22.5
389.08643	3.8
397.13422	63.4
398.13937	3.9
415.14590	48.0
416.14731	3.2
420.88086	3.5
436.85962	3.8
517.31757	5.6
551.62976	3.4
705.33453	6.7
765.34277	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	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01547	0.2
58.17039	0.2
58.17487	0.2
59.01374	1.0
60.99306	17.7
61.98836	2.9
62.09626	0.2
69.70651	1.1
71.01386	0.3
84.91673	0.3
87.00880	2.0
88.00413	3.1
88.01205	0.2
88.98808	100.0
89.02441	14.5
89.97907	0.2
89.99157	1.0
101.02465	0.3
108.12815	0.2
118.95825	0.2
125.04099	0.3
130.27426	0.2
139.67432	0.3
150.36177	0.2
185.11247	0.3
250.94824	0.2
253.73389	0.3
277.21643	0.5
328.54721	0.3
397.13431	1.0
415.14658	0.5
552.68707	0.3
585.90070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
60.99312	15.9
61.98835	6.4
70.86320	0.7
71.01368	1.2
71.12905	0.5
71.61869	0.9
74.34515	0.6
80.96527	0.9
87.00865	1.5
88.00398	2.7
88.98808	100.0
89.02438	8.5
100.59531	0.6
101.02441	1.0
107.35495	0.7
113.19337	0.6
171.10272	0.9
172.78732	0.7
211.13467	1.3
218.88168	0.6
219.74002	0.6
280.94547	0.7
397.13406	0.8
464.02563	0.7
524.84192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97490	0.2
59.01389	0.5
60.99308	17.9
61.98840	2.0
71.01369	0.4
71.61359	0.4
87.00883	1.6
88.00404	2.7
88.01221	0.3
88.98808	100.0
89.02443	11.9
89.99138	1.3
101.02444	0.3
114.01698	0.2
125.85934	0.2
151.07050	0.2
164.51172	0.2
179.03502	0.2
212.46153	0.2
224.02298	0.2
277.21741	0.8
291.82513	0.2
323.93146	0.2
397.13544	1.2
415.14911	0.3
518.59229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
57.03440	4.8
57.48044	1.4
58.00593	1.4
59.01383	51.7
60.99780	1.5
61.98839	11.8
63.97406	1.4
64.08614	1.4
69.03461	3.0
69.45429	12.7
71.01389	40.6
72.99305	4.1
73.02931	7.4
78.79353	1.7
81.03448	3.9
83.01396	6.3
83.05037	5.0
85.02968	7.5
87.00893	13.3
89.02446	28.8
93.03442	1.6
95.01397	2.1
95.05055	3.0
96.96017	2.1
97.02962	10.3
97.06586	5.4
99.00911	1.7
99.04536	2.1
101.02451	31.2
106.04266	2.0
108.92054	1.4
109.02973	1.7
111.00915	1.5
112.98824	18.2
113.02468	13.9
119.03526	9.6
119.05007	3.0
121.03017	2.0
121.06599	2.0
122.03766	1.5
123.04552	5.4
123.08160	2.1
125.02467	7.6
125.09724	9.8
131.03581	1.6
133.02925	4.2
134.03754	2.5
135.04521	5.6
135.08163	1.6
137.02376	2.3
137.09718	6.6
141.02000	1.9
141.12813	1.4
143.03510	5.5
145.02974	1.9
149.00912	6.3
149.06056	2.4
161.02417	1.7
161.04555	5.6
161.09663	2.3
163.04007	2.7
163.11288	8.4
165.12839	1.9
167.03566	2.9
171.10266	1.7
175.07658	2.0
177.12901	1.4
178.02689	1.8
179.03606	1.5
179.04170	1.8
179.05641	10.3
181.12387	2.0
185.11815	7.7
191.10777	2.0
191.14442	11.2
202.06445	1.5
207.10316	6.4
209.11864	24.1
210.12154	1.8
211.13382	3.9
217.15846	1.9
225.11264	5.9
227.13060	1.6
235.08299	7.6
237.11407	2.8
245.19102	18.9
249.10672	1.4
253.09261	3.4
263.20224	5.8
271.17035	3.3
275.09326	2.8
281.20996	2.1
287.07480	1.9
289.18106	83.3
290.18475	8.0
305.08392	2.1
307.19162	100.0
308.19589	12.4
323.09610	2.6
345.17087	6.2
355.15659	2.5
357.26501	5.1
375.27512	18.3
375.72321	1.7
397.08212	2.7
397.13525	55.7
398.13846	6.0
415.14597	48.4
416.14755	2.4
417.28903	2.6
489.27170	2.2
607.25970	2.0
705.33466	8.0
706.33594	3.1
793.14587	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	765.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.45092	0.7
59.01379	11.0
61.98832	33.7
62.80770	0.8
63.03868	0.7
69.03447	1.1
71.01383	7.8
71.62735	1.0
72.99309	1.8
73.02964	1.6
75.00877	0.7
81.03463	1.4
83.01396	3.1
85.02950	2.1
87.00893	3.8
87.15923	0.7
88.98769	1.0
89.02452	3.7
95.01371	3.2
96.96023	1.1
97.02931	1.3
99.00898	2.2
101.02453	4.5
106.02875	0.7
108.02171	1.4
109.02978	2.4
111.00882	1.5
112.98805	7.0
113.02451	4.8
119.05028	2.1
121.02946	2.8
123.00874	1.6
123.04524	1.8
123.08131	1.0
124.00750	0.7
124.01709	2.2
125.02444	2.7
127.00347	3.6
133.02951	1.8
134.03755	6.8
135.04565	4.6
137.02461	2.6
138.03268	1.4
139.00352	4.1
139.04024	2.2
147.04504	2.7
148.05328	3.8
149.00914	2.9
149.02405	2.3
149.06125	1.2
150.03232	16.1
151.00397	10.0
151.03943	2.5
152.01096	0.8
157.01445	1.2
159.04456	0.7
161.02478	1.0
161.04562	1.2
161.05931	0.8
162.03214	1.3
163.04060	3.8
164.04753	1.0
165.05574	10.9
166.05952	0.9
167.03500	2.8
173.06062	1.2
175.07701	1.3
177.05548	1.2
177.09225	12.6
178.02650	0.9
178.09547	1.1
179.03552	2.0
179.05598	1.1
181.12350	0.8
187.04103	1.7
187.07635	3.2
188.08403	2.5
189.09216	14.4
190.09560	1.9
193.04987	1.3
201.05547	1.1
201.09120	1.0
202.06413	1.1
203.10783	45.8
204.11118	3.0
205.08702	1.4
209.11819	2.8
211.13329	1.1
215.10786	1.8
219.10283	3.0
229.03569	1.5
245.19060	0.9
271.06149	2.6
275.09293	1.2
286.08423	2.7
289.18124	7.0
290.18573	0.9
297.07721	2.1
307.19058	5.2
325.10654	1.1
327.15936	1.0
340.13058	4.2
345.17120	2.3
355.15497	100.0
356.15808	14.0
357.26404	1.8
358.57413	0.7
375.27396	5.4
397.13477	4.2
406.43408	0.8
415.14581	2.7
499.19730	1.5
517.20721	37.5
518.20856	6.2
559.21814	13.1
560.22382	4.0
585.19452	3.7
627.20807	12.6
628.21381	3.6
628.49402	0.9
657.21783	1.4
765.45850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10566	0.3
61.98826	0.7
71.62283	0.4
73.02949	0.4
99.92583	12.1
100.92599	0.8
109.85131	0.3
114.93398	0.6
116.92862	100.0
117.01935	0.7
117.92876	6.1
131.91547	0.2
154.04669	0.3
179.93607	0.3
241.34355	0.3
277.21793	0.6
704.15845	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.6
60.05770	1.4
61.59706	1.2
61.98837	7.2
69.58464	8.3
71.01379	6.6
73.02951	2.2
83.01362	1.5
83.05031	1.0
83.72190	1.0
85.02955	2.4
87.00865	4.9
89.02442	3.5
99.00887	1.2
101.02435	3.3
107.81701	1.4
108.02128	1.4
109.02969	3.5
109.06630	1.2
112.98822	10.0
113.02446	2.0
117.03484	3.0
119.05028	3.2
120.04514	1.6
121.02974	6.3
123.00893	2.1
124.01601	1.7
125.02437	1.4
127.00394	1.4
130.99794	1.2
133.02934	2.4
133.10291	1.0
134.03772	6.6
135.04539	13.9
137.02422	3.7
138.03128	1.1
139.04022	3.4
145.02966	7.0
147.04538	2.1
148.04190	1.3
148.05244	5.5
149.00916	2.7
149.02397	3.2
149.06105	1.4
150.03230	28.6
151.03978	3.9
159.04501	1.9
160.04060	1.2
160.05330	1.3
161.02478	3.1
161.04510	2.3
161.05933	1.3
163.03984	6.2
164.04692	1.8
165.05592	18.7
173.06148	1.8
175.03979	1.4
175.07666	1.5
177.05609	2.0
177.09219	21.0
178.09517	1.6
179.03494	5.9
187.07654	4.3
188.08388	2.0
189.07652	1.5
189.09233	17.8
190.09552	2.8
193.04922	1.5
193.08682	2.1
201.05449	1.7
203.10764	67.7
204.11026	5.7
219.03040	2.0
271.06241	2.6
275.09326	1.8
286.08447	2.9
293.03064	3.4
297.07550	2.5
325.10782	1.2
340.13150	5.0
350.47202	1.4
355.15488	100.0
356.15805	12.1
375.27328	1.7
385.25558	1.1
471.26028	3.6
499.19708	2.4
517.20825	21.0
518.21277	2.9
559.21814	60.3
560.22192	12.8
721.26996	16.9
722.27460	3.5
727.58142	1.4
765.34180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.3
59.01380	100.0
61.98830	33.6
62.44870	2.6
67.01851	2.9
69.55099	17.7
69.55510	4.3
69.95929	2.8
71.01379	28.7
72.99319	6.5
73.02964	16.2
78.95901	3.1
79.07502	2.7
83.01378	8.5
83.05052	3.0
85.02948	6.9
87.00874	16.7
89.02448	13.5
93.03498	3.2
94.02988	31.7
96.96008	13.0
97.02963	3.0
99.00903	4.9
101.02460	21.0
102.05628	3.3
103.00407	4.4
106.06637	4.8
108.02187	6.1
109.02982	5.9
111.00888	4.2
111.04430	3.3
112.98806	24.5
113.02463	14.7
116.92860	4.9
117.03499	3.6
119.03542	3.8
119.05028	9.2
120.08197	27.5
122.06099	8.1
125.02431	5.3
133.02930	9.5
134.03754	6.1
134.06145	34.1
135.04533	26.0
136.01648	3.9
136.04001	3.6
136.07806	3.6
137.02452	4.6
138.05591	15.6
138.26172	2.7
145.02916	9.2
145.06152	4.0
146.04672	4.8
147.04474	4.2
147.24461	2.9
149.00916	27.2
149.02158	4.0
149.06088	4.2
150.03195	8.3
152.01135	5.1
152.07166	9.7
161.02409	6.7
161.04611	5.2
163.04013	12.2
164.07127	3.1
165.05592	8.0
175.03993	3.9
177.01819	3.3
178.02754	4.5
179.03511	13.1
193.05086	5.5
195.06538	3.4
199.03990	4.6
221.08197	3.0
237.10243	6.0
249.10306	6.3
251.11856	10.1
255.06673	4.9
263.08243	6.6
264.08954	8.5
270.05328	5.4
270.08865	4.7
273.95255	3.0
277.09814	7.9
278.10516	6.5
279.11395	29.5
280.11926	6.3
282.05347	3.9
285.07651	16.1
290.10745	2.9
291.11340	11.9
292.11871	5.5
297.07706	4.5
300.10004	14.4
301.10724	12.4
327.08661	3.6
331.11740	14.5
337.12061	3.5
338.11432	3.3
353.13922	12.7
355.15668	3.6
371.16183	3.0
384.17178	7.8
399.19299	3.3
426.18323	8.3
427.18716	4.2
430.17456	4.2
471.17911	3.8
486.20316	5.2
502.19217	3.6
515.28461	6.1
530.19452	21.5
531.19446	7.9
557.20569	8.6
557.29510	53.1
558.29840	7.7
562.21887	50.9
563.22113	10.9
609.23468	3.9
625.26776	4.4
627.24420	12.9
628.24402	3.4
643.26941	5.3
659.27173	4.4
660.27069	3.9
669.25409	18.4
670.25513	4.4
687.26709	90.7
688.27045	18.1
701.28619	6.5
702.28601	4.2
719.29535	24.6
720.30017	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	763.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01379	13.9
61.98831	7.4
63.70420	0.7
67.21671	0.7
71.01373	4.0
72.99313	1.6
73.02962	1.3
75.03024	0.7
77.87635	0.7
83.01401	1.2
83.05046	1.1
85.02961	3.3
87.00880	3.5
88.98801	0.8
89.02426	1.6
91.05541	0.6
93.03477	1.0
95.01415	1.0
96.96024	1.3
99.00896	1.5
101.02438	2.6
108.02187	1.3
109.02951	2.5
112.98807	6.3
113.02441	2.1
116.92886	1.2
117.55795	0.7
119.05066	1.4
121.02934	4.2
123.00869	1.0
123.04508	1.3
124.01692	3.4
125.02404	1.4
127.00396	0.8
133.02930	1.8
134.03746	6.8
135.04533	7.5
135.08044	0.7
136.01633	2.0
137.02460	5.0
138.03233	2.1
139.04030	3.2
145.02975	1.1
147.04538	3.3
148.05305	6.0
149.00905	2.6
149.02419	3.0
150.03233	24.7
151.04053	3.4
151.61774	0.7
152.04774	1.0
159.04515	1.5
160.05347	1.2
161.02382	1.7
161.04611	0.8
161.06052	1.5
162.03108	1.3
163.04019	4.5
164.04726	1.5
165.05560	17.3
173.06036	1.1
175.04018	1.5
175.07602	1.9
177.05609	1.4
177.09218	18.3
178.09622	0.8
179.03500	2.7
187.04085	0.7
187.07579	3.8
188.08426	2.3
189.05585	0.9
189.09206	15.1
190.09666	1.0
193.05130	1.3
201.05711	0.8
201.09187	1.6
203.10777	59.4
204.11110	5.2
211.13286	0.8
215.06953	0.7
215.10768	1.9
219.02994	1.1
227.10561	0.9
249.54828	0.7
271.06110	3.9
275.09225	1.4
277.03333	1.1
283.06140	1.1
285.07993	0.9
286.08444	4.9
293.02985	1.3
297.07715	1.9
322.12158	0.8
323.12839	2.4
325.10974	1.3
339.12317	1.3
340.13196	5.8
341.13589	1.2
353.13995	1.0
355.15500	100.0
356.15820	11.9
373.25876	1.5
389.08508	0.8
499.19867	8.0
500.19724	0.9
517.20636	2.6
557.29749	2.4
559.21851	63.7
560.13812	0.5
560.22180	12.4
601.23029	1.1
655.83392	0.8
763.27783	7.6
764.28473	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	763.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.3
59.01094	1.1
59.01381	17.8
61.98831	10.7
71.01380	6.7
71.05019	1.0
71.61504	0.9
72.99297	1.3
73.02929	3.3
74.57426	0.7
83.01392	1.8
85.02952	3.0
87.00863	4.3
88.98760	1.1
89.02444	2.7
93.03468	1.1
95.01387	1.1
96.96034	3.9
97.02930	1.0
97.26404	0.8
99.00848	1.7
99.04519	1.2
101.02431	4.2
109.02946	2.3
112.98832	5.9
113.02459	3.1
117.03452	1.7
119.03482	1.5
119.05019	3.2
121.02959	3.0
123.00874	2.3
124.01686	1.9
125.02446	2.9
130.99863	1.0
133.02960	2.2
134.03741	1.5
135.04512	7.7
136.01649	1.1
137.02472	3.3
145.02962	8.5
146.03653	1.1
149.00888	5.8
149.02505	1.0
149.06039	0.7
150.03247	4.0
151.03952	1.0
159.04489	1.4
161.02432	2.3
161.04613	1.6
161.06126	1.8
163.03961	4.2
165.01967	1.0
165.05557	1.5
167.03542	1.0
177.01939	0.9
178.02715	1.7
179.03529	3.9
179.05728	1.6
179.07109	5.3
185.06055	0.9
187.07668	1.8
189.09444	0.8
196.05354	0.8
201.09140	2.5
213.09261	1.2
217.05231	0.9
219.02882	1.3
221.35587	0.7
241.05096	1.6
255.06700	1.1
261.24503	0.7
262.10800	4.0
267.10452	0.9
267.78082	0.8
269.04517	3.3
275.09097	1.1
282.05328	1.4
283.06110	16.5
284.06628	4.0
290.77359	0.8
293.03015	1.6
294.05234	1.6
295.06122	20.1
296.06418	1.1
297.07651	1.0
309.07730	1.1
309.11258	0.9
320.10120	0.8
321.10950	1.0
323.09180	3.7
327.21872	0.9
327.92206	0.8
337.10806	4.0
338.11594	63.5
339.11914	7.2
341.12451	1.9
352.13263	0.9
353.13940	100.0
354.14294	13.5
497.18201	3.7
499.16003	2.5
515.19196	2.8
526.16974	0.8
557.20197	59.7
557.29553	16.9
558.20685	12.5
558.29932	2.5
631.17041	1.2
763.28833	1.1
764.36115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68181	1.1
61.98819	2.5
62.32352	1.1
63.96243	1.9
71.01379	9.4
73.02930	1.5
78.95906	2.8
78.98602	7.0
79.95727	10.2
80.96518	75.6
85.02949	3.4
87.00894	2.8
94.98092	16.2
97.02927	2.2
99.00898	1.4
101.02447	2.9
106.98081	2.3
122.97567	5.6
125.02447	4.5
134.97575	4.9
136.53305	1.0
136.99110	1.6
148.99095	5.7
152.98613	7.6
164.98613	13.5
184.76007	1.2
206.99640	3.8
223.13504	1.4
225.00731	18.0
229.61919	1.6
255.23280	3.8
280.23929	1.3
505.17645	2.1
516.19470	1.2
761.41364	100.0
762.41870	29.5
778.06793	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
61.98833	100.0
71.01408	0.5
78.95912	0.4
87.00874	0.5
88.98798	1.0
96.26694	0.4
98.19830	1.1
105.25671	0.4
117.44584	0.4
119.05049	0.4
137.65767	0.4
171.10353	0.5
181.40765	0.4
224.51653	0.4
235.76900	0.4
239.99426	0.4
256.41193	0.4
264.46295	0.5
385.38440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98825	10.6
69.03450	1.4
71.62103	1.1
75.68809	0.9
78.95890	2.6
83.01375	1.0
89.02489	1.1
91.72489	0.8
99.00883	1.0
109.02957	9.7
111.00885	0.8
115.28215	0.7
121.06596	1.0
125.02444	4.0
133.02917	4.1
135.04507	7.2
145.02928	1.9
146.03702	1.5
147.04527	13.7
147.62039	0.8
148.05315	6.3
149.06079	24.7
150.03195	1.2
152.99527	1.2
159.04466	3.5
160.05299	1.0
161.02466	4.9
161.06102	10.3
162.03175	0.9
162.06413	0.9
163.03989	3.7
163.07664	1.7
167.03461	0.9
171.04561	1.0
172.05252	2.2
173.06094	3.8
174.03227	2.6
175.04002	14.7
176.04747	5.5
177.01935	2.5
177.05473	1.9
185.04497	1.8
185.05969	1.1
187.03946	1.9
188.04745	1.6
189.01921	0.8
189.05576	19.2
190.06017	1.4
191.03470	2.3
191.07127	9.5
193.05043	2.8
203.03751	0.8
203.07092	4.4
205.04984	4.0
207.06670	1.4
215.03598	0.8
217.05040	18.8
218.05333	1.5
219.02988	7.9
221.04642	3.8
233.73575	0.8
235.06134	11.6
236.06480	1.2
237.04030	9.5
247.06204	1.7
251.09285	1.6
277.07187	2.7
279.05124	10.6
280.05316	0.8
295.08218	14.9
296.08527	1.7
301.19385	0.9
339.07178	100.0
340.07538	10.1
372.98474	0.9
403.73743	1.0
483.11981	1.6
599.28125	1.7
729.81720	0.9
761.33362	2.8
761.45245	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	760.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45615	2.8
57.40560	2.9
59.01382	17.2
61.98832	100.0
61.99151	5.9
64.06963	2.4
71.01373	14.2
82.95419	48.2
83.01418	3.0
84.00907	88.4
84.01387	5.7
84.95114	28.8
85.00439	4.2
85.02944	2.9
87.00878	5.2
89.02443	11.8
92.00392	2.6
101.02461	14.0
113.02466	9.3
119.03490	6.1
125.02477	6.5
126.32912	2.6
143.03441	3.8
161.04593	4.4
179.05630	3.4
235.08150	6.1
253.09096	3.0
277.21710	30.4
278.22125	3.2
378.59323	2.9
397.13464	57.2
398.13889	5.7
415.14496	23.1
436.80414	2.7
466.97919	2.7
498.12314	3.3
616.81189	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	761.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	2.8
59.01382	49.1
59.95470	1.7
61.98823	4.5
69.31200	16.9
71.01376	5.8
72.99317	2.6
73.02952	2.0
77.68650	1.8
80.05071	2.7
85.02928	2.4
87.00851	5.5
89.02430	4.2
89.44497	1.6
94.02969	4.2
95.07661	1.9
96.96050	2.1
99.00899	3.7
101.02439	3.2
106.06628	7.6
108.04569	3.5
112.98810	3.5
113.02470	3.2
119.05042	2.7
120.08245	2.1
122.06099	8.4
124.04034	4.2
130.06577	1.7
134.06123	20.8
135.04498	6.2
136.04031	5.2
137.02402	2.3
138.05612	5.0
147.05597	3.9
149.00896	3.4
149.02478	1.8
149.04489	2.5
150.03194	4.2
150.05582	8.1
152.07176	3.9
160.04068	2.5
161.02440	2.5
161.04713	2.0
162.05550	2.2
165.05550	3.1
168.06569	1.9
169.03937	1.8
174.05566	3.5
175.05225	2.5
177.01826	2.0
179.03455	2.4
190.05093	2.8
201.10300	19.6
209.11844	3.1
213.10376	9.8
223.13313	4.3
224.09526	2.6
225.10382	2.7
227.11830	9.8
229.09824	24.1
229.13329	8.6
237.10347	2.8
239.11853	10.5
245.13026	2.5
245.48334	1.9
247.10823	3.2
249.10451	1.9
255.11363	9.1
257.12936	6.0
267.11505	4.5
273.12524	6.2
277.09668	5.8
279.11349	2.8
289.11978	7.0
295.10843	4.5
301.11887	21.1
302.12302	3.7
305.09247	5.2
307.10806	3.7
319.12991	100.0
320.13272	12.8
327.13489	4.7
355.12897	5.8
365.11319	5.2
374.15149	9.1
375.15341	2.6
379.16095	4.1
391.15421	2.9
392.16144	14.6
397.13910	5.4
398.15051	3.0
416.16281	6.0
418.14014	3.4
434.16998	3.7
451.28262	2.0
499.68170	2.1
555.27924	2.3
563.22900	4.3
581.24048	9.0
599.25360	19.7
600.25024	3.3
617.26440	2.6
623.24896	3.4
625.22949	11.5
626.22565	3.6
629.28168	6.7
641.26196	80.9
642.26520	21.1
644.24628	3.8
657.26141	3.4
658.26208	2.1
685.25177	99.9
686.25531	24.1
717.27600	28.1
718.27869	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	759.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	8.0
61.98833	19.1
65.47417	1.5
70.40333	3.5
71.01385	4.0
78.38503	1.3
89.02451	1.6
97.02932	1.9
101.02443	1.9
111.08139	2.5
113.02436	1.9
127.11266	1.9
143.81343	1.1
169.12338	1.6
171.10265	100.0
171.75244	1.4
172.10522	6.0
197.11838	10.3
209.11720	2.6
210.12326	1.4
211.13443	1.3
227.12943	1.7
235.08171	6.2
247.20551	1.9
253.09361	11.2
291.19672	17.4
292.19830	1.4
295.22641	1.4
309.20682	34.8
310.21088	3.3
322.51056	1.2
407.19122	2.7
545.29950	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
58.00602	2.1
59.01383	36.0
61.98830	8.1
71.00430	3.6
71.01381	11.5
72.99313	6.0
73.02940	4.1
76.60204	1.6
83.01411	1.6
85.02962	5.4
87.00883	24.7
88.01264	1.5
88.98808	5.4
89.02470	3.3
91.61195	1.4
96.95968	1.4
101.02438	6.6
103.00374	5.3
107.05065	1.6
108.02153	1.4
109.02941	6.3
111.00894	2.0
112.98813	19.9
113.02470	3.8
119.05064	6.7
121.02969	3.0
121.90992	1.3
123.04534	2.0
127.00430	3.3
130.99832	3.6
133.02962	14.6
134.03696	4.5
135.04532	53.9
136.04813	1.7
137.02423	10.4
139.00365	2.9
145.02991	3.5
147.04492	1.5
149.00929	12.4
149.02385	2.0
150.03206	4.5
151.03937	3.1
152.01140	1.9
159.04546	1.6
161.02438	16.9
161.04515	2.2
163.04019	10.0
165.01929	16.2
165.05553	5.9
166.02699	2.9
175.03957	1.4
177.01918	6.3
177.05649	2.8
178.02637	3.1
179.02040	2.5
179.03500	38.0
180.04295	9.8
181.05074	4.0
191.03551	5.0
194.05804	1.7
195.06601	10.8
203.03366	1.5
209.08136	3.7
210.05339	1.5
211.06041	3.4
219.03029	19.2
220.03430	1.6
225.07681	7.4
231.03000	3.3
277.81390	1.4
285.20694	4.7
293.03058	45.6
293.08069	1.9
294.03311	3.3
297.07578	2.1
303.21790	20.6
309.14908	1.9
311.15796	1.8
327.15994	3.4
345.22601	2.1
368.09274	2.0
370.10825	1.5
371.11261	7.0
380.25107	1.7
383.11267	9.2
384.11774	1.4
433.54700	1.5
447.26160	4.3
457.13516	2.7
465.27032	100.0
466.27145	13.8
489.27185	1.7
565.25677	2.1
579.18488	5.0
579.26703	2.3
597.19629	2.3
597.27637	31.8
598.27863	3.8
627.21143	13.5
628.21417	6.2
715.38849	6.4
728.30988	1.4
759.30524	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	759.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48952	1.8
59.01379	47.1
61.98832	6.4
71.01392	4.5
71.57043	1.8
73.02970	3.2
78.95928	2.1
80.05084	4.7
83.04498	1.7
84.42584	1.7
85.02973	2.9
86.03820	1.4
87.00914	2.3
89.02470	1.7
94.06608	1.9
96.96010	22.1
96.96944	2.2
101.02442	2.1
105.71383	1.7
106.06658	7.0
108.02188	12.5
109.22051	1.7
112.98816	2.3
113.02440	3.4
120.04586	2.5
121.02927	4.7
122.06133	24.1
125.09715	1.7
130.06633	2.5
134.06117	38.6
135.04556	2.4
146.06139	2.9
152.01170	24.6
152.07193	6.0
160.03993	1.9
161.04753	2.6
163.04066	1.8
174.05600	3.2
177.09125	2.5
180.06725	3.1
187.09792	4.1
188.07152	6.7
213.10269	14.1
223.08943	2.9
224.09589	2.0
225.10356	4.9
226.11064	2.9
227.11897	6.4
228.98442	1.8
237.10408	4.3
239.11784	10.2
241.13496	8.4
249.10390	4.2
250.07474	4.0
250.11244	2.1
251.08165	3.4
251.11923	4.1
253.09827	3.6
263.08286	5.4
265.09842	8.2
266.10550	2.0
267.11276	5.0
277.09692	9.8
278.06973	7.3
278.10251	3.3
279.07730	6.7
279.11285	4.7
281.01160	1.8
281.21457	2.4
285.12451	24.0
291.07834	3.9
292.08539	2.2
293.09299	27.1
293.12912	5.8
294.09973	4.9
295.10898	15.6
305.09326	5.3
306.10080	4.7
307.10883	9.1
307.14081	1.9
309.12427	2.4
319.10788	2.5
337.08200	12.3
355.12985	2.0
356.13770	3.3
358.15558	4.4
359.28082	4.9
365.11566	2.3
367.12903	3.0
380.13062	1.7
384.13406	3.3
398.14957	4.4
399.09338	2.4
399.15817	2.4
400.16763	10.2
412.16989	3.9
413.17517	3.4
424.16943	2.6
426.14618	3.3
441.16486	3.9
442.17703	6.4
456.19141	5.2
458.16769	2.3
460.18643	2.0
468.15646	3.2
474.20325	2.4
486.16711	7.0
500.18158	2.6
501.18982	5.1
502.19577	3.9
505.22311	2.8
516.21411	15.3
517.21747	4.0
545.18158	3.4
546.18628	17.4
547.23761	6.3
560.20270	38.8
561.20862	6.8
565.24719	3.8
578.21411	3.0
591.22687	5.7
592.23029	34.5
593.23181	7.2
607.25690	33.0
608.25867	5.7
623.25269	6.4
639.28137	31.2
640.28546	7.8
651.24750	18.6
652.24609	5.8
683.27203	100.0
684.27521	25.0
715.28845	14.7
716.30145	5.0
759.38202	24.9
760.37750	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	759.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
59.01383	1.9
68.15237	0.5
69.31423	4.0
69.31833	1.6
69.37667	0.6
71.01389	2.2
72.99311	2.4
73.02946	0.9
85.02931	2.8
89.02442	0.6
95.01369	3.0
97.02948	0.6
99.00887	0.9
101.02371	0.7
106.00576	0.6
107.01397	6.7
108.02176	56.8
109.03004	11.6
111.00879	0.7
113.02459	1.4
120.03999	0.6
121.02954	15.0
123.00890	14.5
123.04530	0.9
124.01693	4.9
125.02442	1.2
127.00424	0.6
134.03810	1.1
135.04546	2.2
136.01666	0.8
137.02458	2.1
138.03235	12.6
138.04288	0.8
139.04037	6.3
145.02921	0.7
147.04559	1.0
149.00937	1.0
149.02444	2.3
151.03917	1.1
152.01155	100.0
153.01816	4.4
153.05580	12.4
154.05959	0.6
159.04486	0.7
163.03955	4.2
166.02748	3.5
166.98592	0.8
166.99866	5.2
167.03461	2.0
168.00642	9.0
169.00807	0.6
175.03944	0.8
177.01944	1.4
179.03528	1.9
180.04254	0.7
181.01500	0.7
181.05077	1.5
182.02205	21.0
183.02986	32.6
184.03355	1.1
193.05106	1.1
197.04550	37.7
198.04965	2.0
206.05780	0.6
223.06213	1.0
241.07173	1.0
244.47456	0.6
244.80040	0.7
267.05121	1.0
281.13266	0.6
285.06287	1.1
327.07846	0.6
399.04056	1.0
399.09308	19.3
400.09689	2.2
413.10876	2.1
417.10266	6.0
418.10898	0.8
441.10507	3.6
597.14600	96.6
598.14899	18.1
611.16626	0.9
639.15668	7.0
759.19855	15.3
760.19885	3.6
788.81757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81527	2.9
59.01094	4.4
59.01384	78.6
61.98830	27.2
63.36303	2.6
70.61256	2.5
71.01379	9.7
72.99268	2.9
73.02950	8.8
81.03484	2.8
83.01385	6.5
85.02956	7.1
87.00896	9.1
88.98866	2.4
89.02435	7.8
95.01362	2.9
95.55164	2.6
99.04499	4.3
101.02442	9.8
106.06625	8.3
107.03851	2.3
108.02171	3.0
112.98804	15.7
113.02456	7.5
118.53320	2.6
119.03441	2.8
120.01254	2.7
121.02983	2.9
122.06133	17.7
125.02444	6.8
128.03586	4.7
130.99892	3.1
133.02957	3.4
134.06128	39.9
135.04509	10.4
137.06215	2.9
143.03603	3.3
143.04678	4.5
145.02966	4.7
146.06125	4.2
149.00859	7.5
150.06830	3.0
151.00389	5.9
152.01172	4.7
152.07135	2.9
160.04111	3.1
161.04585	3.0
163.03995	3.9
163.07571	3.6
165.05554	3.9
171.10281	6.0
174.05579	3.8
177.09215	3.5
178.85402	2.7
178.99899	3.5
179.03464	4.6
179.10635	2.8
188.07146	5.3
193.79137	2.9
213.10307	9.7
225.10344	4.3
227.11905	6.7
237.10405	3.2
239.11879	7.6
241.13455	9.8
249.10321	4.1
251.08183	4.5
253.09740	3.2
264.09000	2.8
265.09735	6.8
267.11346	6.9
277.09793	5.7
278.10330	3.2
279.07721	3.0
279.11456	4.0
285.12405	20.7
291.07803	3.5
293.09283	22.9
293.13013	8.5
294.10278	6.1
295.10916	11.0
305.09244	5.5
306.10007	4.9
307.10919	10.1
321.12436	3.5
328.11130	3.1
329.58389	2.5
337.08295	9.6
349.20050	3.6
358.15787	5.7
369.14899	3.5
369.22955	2.5
375.27667	4.9
384.13141	4.8
390.17838	3.4
400.16562	8.7
442.17844	6.4
453.08011	2.8
456.19305	3.8
458.17465	2.8
486.16840	5.2
502.20047	4.2
516.21527	9.0
518.19391	4.1
545.17590	3.2
546.18555	15.7
560.20502	24.1
561.20636	3.2
565.24158	3.0
569.29486	5.0
591.22418	3.8
592.22516	15.5
593.23041	3.9
598.27899	4.2
607.25671	22.5
608.25836	6.0
623.25043	4.3
624.25336	3.5
627.24353	3.1
639.28290	26.3
640.28766	4.5
651.24316	10.6
683.27258	100.0
684.27148	25.1
710.29224	2.8
714.41803	3.9
715.29352	10.0
715.40521	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	757.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.4
59.01374	9.2
60.19419	0.8
61.98832	7.9
71.01382	66.2
71.61488	0.9
72.01712	1.0
73.02955	1.6
77.11643	0.9
78.72056	0.8
78.95911	4.6
85.02928	2.2
87.00880	1.8
89.02435	2.5
97.02982	1.0
97.06588	0.9
99.00851	1.9
101.02426	5.1
109.06586	2.8
113.02462	1.6
125.09708	1.7
127.11298	1.2
137.09604	1.0
145.04942	1.1
152.99585	2.8
161.04533	1.9
163.11250	1.8
164.09370	1.0
171.10268	39.8
172.10571	1.9
181.08748	1.0
181.12343	2.5
199.09738	7.2
199.13264	1.1
200.10075	1.1
201.11305	7.8
207.10306	11.6
225.11330	8.0
230.29010	0.8
235.08266	5.6
253.09282	9.2
277.21722	100.0
278.22089	12.7
279.23026	1.0
316.72812	1.0
461.20209	1.4
549.08130	0.9
670.19373	1.0
721.41486	2.9
739.42584	1.3
757.44037	9.0
758.44110	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	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	34.7
61.98832	26.5
69.26859	1.6
71.01377	6.7
71.09383	2.6
78.95911	9.9
87.00851	2.0
89.02432	3.9
97.06567	1.6
99.00863	4.2
101.02422	4.6
113.02425	1.6
125.09702	5.8
127.11279	6.5
137.81453	1.4
152.99538	5.1
161.04559	1.8
163.11243	3.5
165.09268	3.3
171.10252	3.4
171.23106	1.5
181.12248	7.5
199.09673	1.5
199.13394	12.4
201.11317	83.5
202.11600	4.9
207.10278	8.7
225.11308	24.8
226.11388	2.0
229.14294	1.7
243.12325	8.7
253.09171	8.4
277.21738	37.3
278.22015	2.8
445.19931	2.5
461.20169	6.6
721.41351	3.7
739.42554	11.6
757.43762	100.0
758.44092	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	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65658	1.5
57.03431	1.7
59.01373	15.5
61.98828	14.3
70.74564	3.8
71.01382	100.0
73.02960	3.4
78.95921	10.6
83.01424	1.9
85.02929	1.6
86.69067	1.7
87.00856	2.1
88.96163	1.5
88.98782	1.5
89.02433	4.7
93.08339	1.8
97.02953	2.7
97.31001	1.6
99.00909	2.0
101.02435	5.4
104.04083	1.8
104.09367	1.7
109.06567	8.7
113.02387	2.2
125.09706	3.0
127.11357	3.7
130.79707	1.6
132.85846	1.9
152.99580	5.4
161.04585	3.0
163.11256	5.1
171.10263	98.4
172.10571	7.2
178.58099	2.0
189.09068	1.6
199.09709	21.4
199.13351	3.6
201.11314	18.4
205.42226	1.9
207.10269	25.5
225.11278	20.0
243.12398	2.8
253.09207	12.7
277.21713	89.9
278.22079	10.9
435.18591	4.0
461.20273	7.2
519.02264	1.9
532.53418	1.7
611.71863	1.8
721.41858	5.1
722.42188	2.5
757.43622	14.7
758.43872	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	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	28.7
60.01720	1.5
61.98835	15.2
62.06816	1.4
71.01371	7.2
71.61950	1.8
78.95908	10.9
81.69683	1.4
84.11935	1.3
87.00892	2.9
89.02447	2.6
99.00864	5.7
101.02410	3.6
113.02431	3.2
125.09713	4.3
127.11298	3.1
152.99538	4.0
155.10760	1.7
163.11203	3.8
171.10236	3.3
181.12259	4.3
199.13377	7.6
201.11328	37.2
202.11617	2.9
207.10207	7.3
217.14391	1.8
225.11292	15.7
235.08159	4.3
243.12340	2.6
253.09267	4.4
277.21701	83.2
278.22098	10.2
293.21100	2.5
305.68988	1.3
447.20926	1.9
461.20004	2.3
546.61316	1.5
721.41168	3.9
722.42310	1.8
739.42712	7.6
740.43500	2.0
757.43665	100.0
758.44196	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	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85505	0.8
53.00315	1.2
57.02851	0.7
59.01377	8.4
61.98818	3.6
70.04644	1.5
70.05035	1.6
71.01383	100.0
72.01717	2.1
73.02947	1.3
78.95914	4.1
81.03481	0.8
83.05042	1.7
85.02956	1.2
87.00889	1.9
89.02441	2.7
97.93192	0.8
99.00853	0.8
101.02443	3.2
107.28032	0.7
109.06589	3.7
113.02448	1.3
114.05601	1.3
114.93412	8.6
115.00357	3.0
119.03486	1.0
125.09715	1.6
127.11263	1.9
135.08109	1.1
145.53639	0.7
152.99565	1.4
161.04527	1.2
163.11269	2.0
171.10268	67.1
172.10576	2.9
181.08702	0.9
181.12337	2.2
197.11880	0.9
199.09782	9.6
199.13373	1.2
201.11304	7.8
207.10254	11.1
215.12860	0.9
225.11327	9.3
235.08138	4.0
243.12552	1.2
253.09294	10.6
254.09503	1.1
277.21713	94.3
278.22107	11.8
435.18463	1.3
447.20789	1.0
461.20190	2.5
534.69623	0.8
721.41699	3.2
731.55750	0.8
739.42200	1.3
757.43365	9.4
758.43744	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	757.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.7
60.99313	5.4
61.98827	100.0
64.81339	4.1
66.16929	4.3
70.80805	9.2
71.01397	5.2
75.00887	26.2
78.95903	27.3
87.00919	5.2
88.98806	12.2
89.02446	4.8
90.60625	5.8
115.14378	5.3
135.36996	5.2
152.99576	10.1
209.11823	5.0
241.14203	4.0
277.21826	13.9
278.21823	6.1
293.21265	8.5
349.73892	4.2
397.13708	6.0
445.19962	5.6
562.37683	5.1
757.41992	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	757.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57419	8.5
59.01374	15.5
61.33221	9.3
61.98833	100.0
63.88326	9.2
70.10803	46.0
73.25963	7.8
78.95897	56.7
86.36383	8.1
97.73765	9.3
101.26935	8.7
101.39198	8.1
102.34112	9.7
116.92841	10.6
126.13672	9.6
129.23837	9.0
149.06085	20.2
152.99586	38.9
225.11301	18.2
260.16992	10.7
277.21783	21.7
407.18127	9.8
757.40820	41.6
758.41083	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	757.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84360	0.9
57.03421	1.6
59.01094	1.5
59.01382	25.2
61.98841	9.7
63.18268	0.9
69.03473	1.5
71.01385	9.8
72.99300	3.1
73.02956	5.4
79.34940	1.4
81.34021	1.0
83.01395	1.8
83.05020	1.2
84.76773	1.2
85.02950	5.2
87.00862	5.4
88.98781	3.0
89.02436	4.1
93.03492	1.0
95.01396	2.2
96.95968	1.1
99.00865	2.0
101.02442	5.9
103.00352	1.1
107.05005	1.0
108.02177	56.7
109.03000	9.0
110.03307	1.2
112.98824	6.3
113.02463	5.5
119.03554	1.0
119.05007	2.1
121.02978	7.4
123.00861	1.1
123.04528	1.3
125.02426	1.4
133.02966	3.3
134.03751	2.4
135.04558	9.0
137.02396	2.1
137.06146	1.0
138.63869	1.0
143.07112	1.0
146.14604	1.0
149.00920	1.5
149.02457	1.9
149.06021	2.4
150.03207	2.2
150.06873	19.6
151.03949	1.8
151.07294	1.1
152.01158	100.0
153.01814	5.2
153.05492	1.1
161.02440	2.5
161.04597	1.8
162.06891	2.4
162.26776	0.9
163.03961	3.5
163.07675	11.7
164.04742	1.4
164.08344	4.4
165.05542	1.9
165.12799	1.1
165.33325	0.9
170.05980	1.2
173.05939	1.2
177.01836	1.8
177.09212	2.0
178.02701	1.7
178.49947	1.1
179.03520	6.9
179.07167	1.3
179.10786	10.1
183.13879	3.0
185.11813	4.6
193.05099	1.0
211.13371	1.1
221.12257	1.0
225.11308	1.2
227.12920	2.6
227.16695	2.0
229.49362	0.9
230.02867	1.0
253.09550	1.0
291.19931	1.2
293.03061	1.9
311.22336	1.5
315.08954	1.0
327.25421	6.0
329.23380	9.8
357.26468	14.3
385.12659	1.5
399.09290	12.0
400.09546	1.8
417.10107	1.4
491.33740	3.6
508.33972	13.3
509.35431	11.5
560.04010	1.3
653.41827	3.9
654.42413	1.2
669.38458	1.7
671.41913	1.5
713.41223	56.6
714.41565	17.5
757.36487	83.5
758.36804	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	757.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01093	0.9
59.01380	16.4
61.98833	28.7
63.99260	2.8
70.70713	0.5
71.01385	3.8
71.61595	0.8
73.02938	1.8
85.02949	1.9
87.00903	1.5
88.98838	0.9
89.02469	1.3
96.96019	0.8
99.00880	0.9
101.02444	2.6
103.00393	0.7
105.55763	0.6
109.06618	1.2
112.98812	2.7
113.02504	2.1
116.92837	1.1
119.03503	0.8
119.05000	1.4
120.01166	0.7
121.02956	1.1
132.04578	0.8
133.02937	0.9
134.06097	1.9
135.04524	1.3
145.02859	0.7
149.00963	1.2
149.04587	1.0
161.04483	0.6
162.05539	0.8
162.06926	0.6
163.04008	1.1
183.13939	1.3
190.05066	1.0
198.09242	2.6
212.05965	0.9
226.07454	1.5
227.12872	1.5
228.09027	2.5
239.11877	10.3
240.12094	0.8
241.09831	67.7
242.10118	6.0
243.11391	1.4
255.11305	1.1
256.12170	37.0
257.12567	3.7
263.08008	0.6
263.50482	0.7
300.11111	8.1
301.11615	1.0
315.13510	100.0
316.13840	10.4
323.10281	1.1
337.11929	2.0
359.16721	0.7
397.13962	6.3
398.14734	1.7
430.13901	0.9
447.30814	0.7
574.35797	0.7
605.24060	1.0
635.39563	0.7
637.26740	1.7
669.38336	3.3
670.38800	1.0
713.37579	4.2
757.38251	1.4
787.80927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51146	17.4
54.51802	18.1
54.91441	18.0
59.01392	25.7
61.98848	100.0
71.61566	29.1
75.34055	19.9
78.95902	57.8
126.66768	19.7
134.38313	27.3
179.63649	24.3
197.11876	26.1
199.13332	50.3
223.13318	24.8
224.98903	20.2
232.83424	21.6
277.21741	65.4
283.08154	22.5
293.21268	29.8
400.45529	21.2
476.58868	22.4
499.56628	21.8
755.44031	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25077	0.1
57.46956	0.1
59.01379	1.3
61.98833	100.0
70.08730	0.5
71.01392	0.4
73.02949	0.2
79.09366	0.1
81.37173	0.1
87.00893	0.3
88.98836	0.2
89.02432	0.1
99.00900	0.1
101.02473	0.2
112.98798	0.3
113.02461	0.3
161.05954	0.1
178.02763	0.1
179.03412	0.1
209.11850	0.5
210.12192	0.2
211.13284	0.1
271.02417	0.1
296.23242	0.1
396.76309	0.1
431.91025	0.1
533.76691	0.2
539.09100	0.2
547.38123	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.6
58.00599	1.8
59.01378	38.6
59.49726	1.5
61.98833	33.7
71.01378	13.3
72.99298	5.3
73.02946	6.3
83.01371	3.1
85.02947	7.0
87.00879	22.3
87.46832	1.5
88.98801	2.9
89.02445	5.9
89.03983	2.0
93.03494	3.4
95.05025	3.7
96.95992	2.6
97.02898	1.5
97.06585	1.7
99.00871	2.8
99.92594	1.2
101.02467	7.8
101.03006	1.4
103.00379	3.5
105.03456	14.3
105.52951	1.4
108.02180	3.8
109.02957	12.6
109.47043	1.4
111.00941	2.1
112.98822	14.5
113.02423	7.3
116.92801	2.8
119.05020	3.7
121.02962	7.5
122.03745	1.9
123.04501	4.5
124.04066	1.8
130.99881	3.3
132.02205	1.8
133.02959	100.0
134.03780	23.0
135.04527	25.4
137.02432	24.2
137.06146	1.5
139.04021	5.6
141.08466	1.2
141.09239	12.4
143.03464	1.9
144.50064	1.5
145.02982	5.3
149.00919	15.5
149.04539	3.2
149.06046	4.2
150.03206	4.7
150.06886	14.6
151.07576	1.5
152.01125	4.6
159.04478	1.8
160.01683	1.7
161.02412	6.1
161.04549	3.0
161.05885	1.4
162.06895	2.3
163.03984	2.9
163.07635	5.6
164.08400	4.7
165.05560	2.0
167.03461	5.6
175.03976	2.4
177.01929	59.4
177.09229	2.9
178.02716	51.9
179.03493	24.0
179.10739	9.3
184.06223	1.3
185.08199	11.9
187.03947	3.9
193.05092	3.3
201.05521	2.0
202.06271	1.7
203.62509	1.4
207.13828	2.2
211.13362	10.9
212.13750	1.6
219.03069	1.8
227.12802	1.8
253.09206	2.0
255.16077	1.9
283.13196	3.6
293.02960	4.4
301.14285	2.5
309.14767	7.3
310.03354	9.6
327.15955	21.4
328.16269	4.1
329.23386	6.4
345.17001	5.2
385.12686	1.8
439.31598	1.4
447.22391	6.0
463.30859	2.6
479.33670	6.6
491.34180	2.9
508.33853	6.8
509.35080	10.9
558.27039	3.9
563.25018	5.4
581.25970	47.9
582.26196	9.9
595.31824	2.5
607.24591	2.4
625.24963	54.5
626.25458	11.2
653.42090	4.8
713.41083	29.9
714.41528	4.0
757.25989	4.7
757.37756	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	755.386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54460	0.8
57.03450	2.0
59.01381	28.2
61.98827	14.0
66.47220	1.1
69.35501	8.6
71.01369	10.4
72.99273	1.2
73.02949	4.8
75.00877	0.9
78.39266	0.8
83.01385	1.8
83.05012	1.3
85.02950	4.3
86.28716	0.9
87.00863	5.5
87.04508	0.9
88.98814	2.4
89.02468	3.0
95.01386	1.0
96.95994	1.9
97.02960	1.3
99.00898	1.5
101.02432	6.1
103.00354	1.0
107.83447	0.9
108.02135	1.0
109.03005	1.1
109.06580	1.2
111.04471	1.2
112.98824	10.2
113.02457	5.6
119.05027	12.2
121.02948	5.1
121.06618	1.4
133.02924	1.1
134.03709	1.8
135.04529	5.6
136.05150	1.0
137.02451	3.1
139.07750	1.0
143.03468	1.5
145.02911	2.7
149.00922	2.1
149.06079	3.7
150.06870	32.9
151.07269	1.4
152.01135	2.0
161.02383	1.7
161.04509	1.4
162.06801	2.2
163.04002	13.3
163.07652	13.8
164.08434	9.7
165.05542	1.3
165.09200	1.5
168.65178	1.1
173.06013	3.3
177.09160	1.0
179.03497	5.3
179.10774	18.6
185.16130	0.9
187.07599	1.2
189.05608	1.1
201.05502	2.2
203.03532	2.1
209.04599	1.1
209.11803	2.1
215.03592	1.0
215.07153	2.1
217.05025	2.3
219.02798	1.4
224.97630	1.0
227.07166	2.2
267.19644	1.4
277.03522	1.7
281.02902	1.2
293.03140	1.3
309.20685	1.4
313.14270	1.8
325.09366	1.4
325.23853	1.4
327.21738	16.2
328.22211	1.9
369.13342	1.5
439.08591	2.2
489.31906	3.9
506.32471	14.0
507.33136	27.4
508.33386	5.0
635.41974	1.1
651.39789	4.6
667.37384	1.2
669.38470	2.5
711.39600	100.0
712.39996	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	755.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66828	1.3
54.95374	1.1
57.03444	2.7
57.16006	1.4
59.01380	41.6
61.98837	19.3
65.15318	1.3
69.03472	2.3
71.01389	15.2
71.61681	1.5
72.99298	1.6
73.02943	6.5
74.15503	1.3
75.00874	2.1
83.01385	2.0
83.32288	1.3
84.69672	1.2
85.02950	5.9
87.00864	4.9
88.98779	2.1
89.02441	5.3
95.01375	1.7
97.06581	1.6
99.00906	2.9
99.04520	1.3
101.02436	8.6
108.02180	1.6
109.06615	1.3
112.98817	14.9
113.02441	5.9
113.99121	1.4
119.03603	1.4
119.05026	12.2
120.05442	1.5
121.02959	7.4
122.02501	2.6
123.08144	1.6
130.04236	1.9
133.02908	1.9
135.04541	10.1
136.04881	1.9
137.02449	2.0
145.02974	2.0
149.00919	2.3
149.04620	1.3
149.06068	3.0
150.06862	28.2
151.07259	1.4
152.01123	3.1
161.02425	4.4
161.04677	2.6
162.06854	2.2
163.04021	14.9
163.07648	10.7
164.08397	7.8
165.05569	2.0
173.06036	5.2
175.03943	2.0
177.01891	1.6
177.09187	2.4
178.09999	1.6
179.03583	6.9
179.05168	1.3
179.10767	15.5
181.05147	2.6
181.12366	1.5
197.11952	2.3
201.05634	9.0
203.03400	2.0
209.11836	4.4
209.36533	1.2
211.13354	5.3
215.07098	2.5
219.03018	3.5
227.07120	1.8
243.10387	1.6
253.09160	1.9
267.19641	2.4
271.02371	2.7
271.09604	2.4
277.03540	3.5
293.02924	4.2
307.72238	1.5
309.20663	5.2
311.22400	2.7
313.14526	1.4
325.09433	1.7
325.23822	1.7
327.21710	14.9
369.13416	2.6
370.13654	1.7
371.14264	1.3
429.15555	1.8
469.52310	1.6
489.32129	5.2
490.32858	2.1
506.32419	15.5
507.33167	21.7
508.33423	2.9
635.41321	1.9
651.40759	5.5
669.40186	3.0
689.30804	2.3
711.39600	100.0
712.40063	26.3
755.34937	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
59.96301	0.4
60.60496	0.3
61.98823	1.5
63.53315	0.3
67.01886	0.5
71.01392	1.7
71.55033	0.3
72.99306	0.8
73.02942	0.4
80.92662	0.4
81.48656	0.3
83.01389	0.8
85.02959	0.9
87.00863	1.8
89.02459	0.6
93.03477	0.5
95.01400	1.0
96.96022	0.4
97.02948	0.3
98.20609	0.9
99.00885	0.5
101.02458	0.8
108.02173	9.3
109.02995	0.4
111.00879	2.2
112.98834	1.7
113.02459	1.3
119.05067	1.6
121.02951	0.5
123.00883	0.8
123.04527	24.7
124.01669	1.8
124.04033	0.6
124.04862	1.0
125.02409	0.7
133.02960	0.9
134.03755	0.5
135.04514	3.2
137.02438	0.5
139.00351	0.5
149.00897	1.3
150.03194	1.0
152.01158	24.1
153.01500	1.0
161.02495	0.5
161.04570	0.3
163.04025	1.0
163.11325	0.4
165.05580	0.6
167.03500	100.0
168.03851	5.0
173.04691	0.3
175.03983	0.4
177.01901	0.7
178.51263	0.3
179.03494	1.3
192.07913	0.3
193.05154	0.4
235.09753	0.4
269.79501	0.4
293.02924	0.7
299.02026	0.6
300.02921	0.5
327.09567	0.4
341.08798	0.3
387.14435	0.5
388.15314	0.5
389.14850	0.7
461.20816	0.3
501.23309	2.9
502.23959	0.7
543.24341	2.4
551.20386	0.5
579.32709	0.5
593.21509	0.5
603.70282	0.4
711.28107	1.9
712.29230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.9
59.96301	0.4
60.60496	0.3
61.98823	1.5
63.53315	0.3
67.01886	0.5
71.01392	1.7
71.55033	0.3
72.99306	0.8
73.02942	0.4
80.92662	0.4
81.48656	0.3
83.01389	0.8
85.02959	0.9
87.00863	1.8
89.02459	0.6
93.03477	0.5
95.01400	1.0
96.96022	0.4
97.02948	0.3
98.20609	0.9
99.00885	0.5
101.02458	0.8
108.02173	9.3
109.02995	0.4
111.00879	2.2
112.98834	1.7
113.02459	1.3
119.05067	1.6
121.02951	0.5
123.00883	0.8
123.04527	24.7
124.01669	1.8
124.04033	0.6
124.04862	1.0
125.02409	0.7
133.02960	0.9
134.03755	0.5
135.04514	3.2
137.02438	0.5
139.00351	0.5
149.00897	1.3
150.03194	1.0
152.01158	24.1
153.01500	1.0
161.02495	0.5
161.04570	0.3
163.04025	1.0
163.11325	0.4
165.05580	0.6
167.03500	100.0
168.03851	5.0
173.04691	0.3
175.03983	0.4
177.01901	0.7
178.51263	0.3
179.03494	1.3
192.07913	0.3
193.05154	0.4
235.09753	0.4
269.79501	0.4
293.02924	0.7
299.02026	0.6
300.02921	0.5
327.09567	0.4
341.08798	0.3
387.14435	0.5
388.15314	0.5
389.14850	0.7
461.20816	0.3
501.23309	2.9
502.23959	0.7
543.24341	2.4
551.20386	0.5
579.32709	0.5
593.21509	0.5
603.70282	0.4
711.28107	1.9
712.29230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.4
69.48001	5.7
71.01379	1.9
72.99305	3.2
87.00876	12.5
89.02464	0.9
93.03437	1.1
98.20557	1.5
103.00371	5.4
105.01917	0.8
112.98824	5.8
115.00377	4.5
119.05031	52.8
120.05363	2.6
129.05434	0.8
130.99847	3.8
133.01425	14.6
134.03719	0.9
135.04555	4.9
143.90050	0.7
147.76456	0.7
149.00916	41.4
150.01230	1.1
163.04010	100.0
164.04326	5.1
179.03548	3.6
218.19495	0.7
295.04593	30.5
296.04889	2.8
370.72748	0.7
583.52948	0.8
741.64087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
55.47144	0.4
59.01376	5.1
61.98823	1.5
63.24271	0.4
69.03452	0.7
70.18887	1.9
71.01379	4.6
72.99307	0.8
73.02941	2.4
81.03440	0.5
83.01392	0.5
85.02946	3.0
87.00886	1.8
89.02466	1.9
93.03470	0.8
95.01394	2.0
97.02972	0.5
98.20602	0.6
99.00885	1.3
101.02456	1.9
103.00379	0.7
107.01371	0.5
108.02176	54.8
109.02968	25.8
110.03230	0.5
112.98805	1.4
113.02477	1.7
119.05042	1.2
121.02966	1.4
123.00861	2.2
123.04514	1.8
125.02372	0.5
132.02161	0.5
133.02963	1.6
134.03732	1.6
135.04533	3.1
137.02454	1.6
137.06105	1.1
149.00916	2.3
149.06079	1.3
150.03238	2.9
151.00388	0.7
151.04010	5.2
152.01152	100.0
153.01936	7.8
161.02386	0.9
163.04010	4.6
163.67955	0.4
164.73366	0.4
166.02753	0.5
166.05054	0.7
167.03424	1.2
175.04007	0.6
176.01198	2.3
177.01967	4.3
179.03487	3.0
181.05055	4.3
193.05061	1.5
219.03139	0.5
223.06058	0.7
241.07172	5.8
242.07509	0.6
267.05142	0.9
268.96872	0.5
285.06137	4.7
301.23682	0.5
325.14554	0.8
381.08212	1.9
397.11285	3.1
399.09219	3.3
417.10364	95.9
418.10696	11.7
441.10391	16.0
442.10550	1.6
485.09354	69.7
486.09756	8.9
507.18591	0.6
519.24774	0.5
561.25116	1.3
579.24554	0.9
579.33398	0.7
755.20081	4.9
756.20343	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2041
Annotation	Quercetin-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside-7-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
59.01375	4.8
61.98836	1.8
65.00342	1.2
71.01396	3.0
71.61651	1.0
71.70880	0.8
72.99324	1.8
73.02969	1.0
83.01409	1.1
85.02952	0.8
85.79972	0.6
87.00886	3.1
93.03455	1.1
95.01406	0.9
96.95988	1.4
99.00909	0.8
101.02435	1.1
103.00394	1.0
104.07004	0.8
105.96072	0.7
107.01402	2.3
108.02199	1.5
109.02957	8.8
112.98805	1.6
113.02401	0.8
115.00402	1.4
119.05021	6.9
121.02972	2.6
123.04533	1.3
125.02453	0.9
132.23660	0.7
133.01404	0.8
133.02977	2.4
134.03683	1.2
135.04503	4.8
136.01697	0.7
137.02443	0.9
149.00963	3.6
149.06113	1.2
151.00360	8.4
151.03902	1.1
151.92262	0.7
152.01141	2.1
153.01912	8.3
161.02464	2.2
163.00334	1.0
163.04044	4.8
171.04495	1.6
175.02512	1.2
175.04028	2.1
178.99968	1.3
179.03481	2.0
183.04396	1.0
187.03986	0.9
191.03503	0.9
199.04031	2.6
203.03497	1.1
215.03474	2.0
226.02740	1.0
227.03552	4.2
229.05066	1.8
237.03981	0.8
243.02954	5.6
255.02994	7.1
264.66626	0.8
271.02469	63.5
272.02786	5.0
284.03122	1.1
285.04019	8.8
286.04260	1.1
299.01959	100.0
300.02658	37.0
301.03476	29.5
302.03867	3.0
330.59579	0.9
376.84531	1.0
446.08548	16.1
447.09113	8.0
457.13989	0.9
593.15051	10.9
594.15094	2.3
609.14606	31.0
610.14709	5.7
755.20361	79.3
756.20642	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	754.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.50976	0.1
61.98830	100.0
62.56601	0.1
66.78801	0.1
71.01395	0.3
73.02918	0.1
87.00866	0.2
89.02484	0.1
101.02478	0.2
105.94314	0.1
112.98803	0.3
113.47464	0.1
119.05024	0.3
130.48289	0.1
135.04558	0.3
140.57080	0.1
145.02914	0.2
146.03752	0.3
150.03188	0.1
163.04002	0.3
164.04779	0.2
179.07178	0.2
199.04034	0.1
216.07730	0.1
217.08641	0.2
249.72234	0.1
355.11517	0.2
369.13553	0.4
370.13901	0.3
574.20294	0.2
618.79071	0.1
754.28955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01367	3.0
61.98817	1.6
65.00320	1.5
69.76074	5.7
71.01380	3.6
72.99313	2.0
83.01392	1.0
85.02946	1.2
87.00877	3.4
89.02466	1.2
93.03450	0.9
96.95982	0.9
98.19933	1.2
101.02454	1.4
107.01384	1.9
108.02175	1.2
109.02972	4.8
109.03590	0.8
112.98801	2.0
115.00362	1.4
119.03445	0.8
119.05056	4.3
121.02953	4.0
125.02437	1.9
133.01430	1.1
133.02937	1.8
134.03722	1.1
135.04529	5.5
136.01648	1.4
138.67336	0.9
145.02927	1.2
147.04427	1.0
148.01721	0.9
149.00920	4.1
149.02367	0.9
149.06055	1.7
149.97383	0.8
150.01218	1.3
151.00363	7.7
151.04012	1.5
152.01117	3.0
153.01942	4.7
153.02960	0.8
161.02461	1.9
163.00356	1.5
163.03992	5.0
165.01947	1.0
175.04013	2.7
178.99881	2.1
179.03464	3.9
181.05118	1.1
187.03932	0.9
190.53893	0.9
193.01256	0.9
193.04892	1.4
199.04013	2.7
201.01913	1.2
203.03395	1.1
215.03542	2.2
219.02971	0.9
226.26457	0.8
227.03438	2.7
243.02936	5.3
254.02242	1.3
255.02904	4.7
256.03391	1.1
271.02466	62.7
272.02902	5.0
285.03979	3.9
293.02429	0.9
299.01959	100.0
300.02652	42.7
301.03500	32.9
302.03687	1.8
341.09030	1.0
446.08545	18.1
447.09164	9.6
593.14966	4.7
609.14514	31.3
610.14734	5.1
629.73785	1.0
741.89880	1.0
755.20319	81.0
756.20563	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	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.3
61.98831	100.0
62.98530	0.2
69.95170	0.6
69.95579	0.3
71.01389	0.6
73.02930	0.2
85.02960	0.3
87.00916	0.3
108.05465	0.2
112.98797	0.5
119.05063	0.4
135.04553	0.5
146.26172	0.2
159.34795	0.2
163.03998	0.6
164.04813	0.2
179.03488	0.5
203.07108	0.3
209.12018	0.3
298.22464	0.2
315.87726	0.2
370.14032	0.2
419.31500	0.2
684.91095	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28513	1.5
55.07412	1.4
59.01381	13.1
60.99321	2.2
61.98836	18.1
67.81786	1.6
69.03457	4.1
71.01377	7.3
71.21720	2.7
75.00886	4.6
78.54168	1.3
83.01379	1.5
87.00867	2.9
88.98806	12.0
89.02457	3.7
96.96044	1.5
97.49789	1.5
101.02434	6.1
109.78441	1.7
113.02464	2.3
113.60312	1.6
125.02439	2.2
125.09702	2.6
150.98497	1.9
151.00352	2.1
151.11310	2.4
161.09714	4.3
171.10289	5.5
179.10782	6.1
195.13934	4.6
197.11826	74.3
198.12172	5.9
207.10231	3.4
209.11856	13.9
211.13481	1.9
223.09781	2.5
223.13394	2.9
225.11244	3.9
227.12820	3.5
235.08253	2.8
241.10794	4.6
253.09312	7.0
271.02454	9.2
275.20041	2.5
289.18176	3.9
291.19717	3.2
293.21210	12.0
299.01898	9.3
300.02719	3.9
307.18942	4.1
315.05164	15.5
477.19620	2.3
539.69366	2.0
595.89459	1.8
678.81537	1.7
698.86621	2.0
709.37872	1.7
738.31006	1.9
753.40808	100.0
754.41187	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	754.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73740	0.1
59.01379	1.0
61.98830	100.0
62.98536	0.2
62.99259	0.1
69.03452	0.1
69.43577	0.5
71.01392	0.4
72.99316	0.1
73.02953	0.2
85.02962	0.1
87.00892	0.3
87.02219	0.1
89.02460	0.1
99.00935	0.1
101.02428	0.2
109.02979	0.1
112.98828	0.4
113.02444	0.2
119.05045	0.3
121.03004	0.1
125.02429	0.1
126.21374	0.1
134.03790	0.1
135.04541	0.4
137.02531	0.1
143.03539	0.1
146.03795	0.2
147.04427	0.1
149.00859	0.1
150.03241	0.1
161.02477	0.2
163.04037	0.3
164.04794	0.1
165.05531	0.1
165.12854	0.1
179.03505	0.2
179.07182	0.2
183.13928	0.2
199.04005	0.1
201.05547	0.1
203.07204	0.1
217.05051	0.1
219.03043	0.1
227.12929	0.1
243.06641	0.1
285.04138	0.1
286.04526	0.1
293.03210	0.1
294.21579	0.1
295.22101	0.1
300.02646	0.1
300.06198	0.1
354.10989	0.1
355.11649	0.2
369.13544	0.4
370.13818	0.5
417.50211	0.1
503.25381	0.1
545.26270	0.1
574.20203	0.2
635.79224	0.1
754.28088	0.4
777.10187	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	753.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
61.98830	2.7
71.01373	1.7
71.51174	0.7
72.99304	3.2
75.00873	100.0
76.01226	1.4
77.73601	0.4
78.95883	0.7
87.00875	0.7
89.02462	1.4
101.02433	1.0
113.02475	0.6
144.76683	0.5
151.65091	0.5
166.77495	0.6
171.10263	0.8
209.11766	0.5
223.13477	2.0
224.13730	1.2
230.91591	0.5
235.08202	0.6
279.23373	3.4
291.19540	0.9
293.21194	0.7
309.20779	1.6
310.20911	0.7
327.21518	0.8
397.13510	5.5
415.14578	2.2
464.57993	0.6
753.41205	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77042	1.6
59.01378	29.3
61.98833	65.8
71.01388	14.0
71.61566	2.3
71.61976	1.5
73.02943	5.3
78.52564	1.6
78.95908	1.9
85.02955	2.9
87.00867	4.9
89.02449	9.5
95.01388	2.2
97.02928	2.1
99.00777	1.9
101.02446	8.5
109.02910	1.9
112.98792	5.6
113.02438	3.0
119.03491	3.1
119.04971	2.7
121.02980	2.3
123.00883	3.5
124.01657	4.1
125.02437	7.2
129.78470	1.7
134.03703	1.9
135.04497	5.4
137.02536	2.4
139.03983	2.3
143.71565	1.7
146.03722	17.4
149.00917	3.1
149.06081	2.1
150.03172	3.9
161.02431	6.6
161.06068	5.0
162.03224	2.4
163.03973	3.1
163.07620	2.5
164.04843	9.5
165.05513	5.1
171.10220	5.1
174.03418	2.1
179.03484	3.6
179.05661	3.5
179.07101	15.4
183.13895	6.7
187.07591	1.9
189.05463	4.1
192.10652	1.8
195.13895	7.3
199.04109	2.4
201.05501	2.0
202.06395	1.7
203.06999	2.6
205.08672	5.0
207.10178	5.8
209.11823	6.6
213.05583	1.8
217.08633	2.9
218.09425	2.0
219.10298	3.6
225.11211	3.9
227.12871	5.3
229.08679	4.6
243.06908	1.9
253.09402	1.9
257.04443	3.7
269.04709	1.9
277.21695	7.7
285.04056	10.0
289.18088	2.2
293.02911	2.3
295.22745	54.7
296.22958	5.5
299.05722	2.3
300.06509	8.0
309.20667	4.2
311.05624	4.6
351.12366	2.2
354.11053	30.8
355.11401	4.5
369.13397	100.0
370.13779	13.0
371.14761	2.7
385.16577	3.4
397.13425	14.6
398.13708	2.6
415.14404	12.8
519.20160	3.3
531.20276	3.4
549.21393	11.3
573.19641	15.6
574.20288	5.4
709.30286	2.1
709.41962	2.7
753.27435	4.2
753.41058	2.1
754.27173	2.6
759.09070	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	753.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67461	1.6
54.43797	1.3
55.01886	4.9
57.03457	7.2
58.00610	1.8
59.01381	100.0
60.56383	1.1
61.98835	27.5
63.93165	1.3
69.03459	2.0
71.00990	2.3
71.01389	46.5
71.61782	1.4
72.94475	1.1
72.99313	5.7
73.02956	17.4
75.00873	1.7
78.06330	1.4
82.28934	1.4
83.01385	12.4
83.05049	3.7
85.02953	23.2
87.00871	14.2
89.02449	16.4
93.03471	3.8
95.01389	5.0
96.95999	3.0
97.02933	2.8
99.00887	6.3
99.04541	2.2
101.02454	31.4
103.00373	2.5
108.02168	3.5
109.02969	3.5
111.00887	3.7
112.98805	15.4
113.02460	26.5
116.92867	6.1
119.03528	4.5
119.05034	6.4
121.02969	4.3
122.03658	1.6
123.04547	2.0
124.01720	1.6
125.02467	6.3
127.00383	1.3
131.03543	2.1
132.57027	1.2
133.02969	3.2
134.03767	3.2
135.04517	15.3
137.02483	3.5
138.05602	5.9
143.03485	4.3
146.03682	2.5
147.04539	2.2
149.00923	9.8
149.02409	1.3
149.04471	2.2
149.06091	2.0
150.03212	4.6
151.37599	1.6
152.01158	5.2
152.07234	1.4
153.01883	1.6
159.02994	2.7
161.02452	5.6
161.04570	9.7
161.05974	2.6
163.04050	4.2
165.05556	3.7
167.03429	1.9
169.97620	1.3
175.03996	1.9
179.03481	8.5
179.05716	3.4
179.07130	5.8
181.05092	1.8
183.13791	1.5
193.05090	2.2
196.32495	1.3
203.05511	1.4
207.10384	2.0
207.75995	1.4
214.35735	1.7
219.03015	1.6
227.12984	1.9
283.05817	1.9
293.03101	6.1
373.25644	2.3
487.32913	4.5
505.34018	8.6
621.32660	7.0
633.39294	4.4
634.39459	1.8
636.71765	1.5
649.38068	63.7
650.38434	13.4
651.39343	5.1
667.39233	35.5
668.39813	8.2
693.40802	2.0
709.39941	13.4
710.41559	3.4
753.32507	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	753.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12883	0.7
59.01379	9.4
61.98837	11.4
71.01379	3.6
71.62534	0.9
73.02952	1.5
75.00790	0.9
85.02974	1.7
87.00910	1.6
89.02469	0.9
95.01360	1.1
99.00870	0.8
101.02451	1.2
109.02967	1.2
109.06567	1.0
112.98826	1.6
113.02440	1.1
121.02961	1.6
123.00851	4.0
123.04554	0.9
124.01669	3.1
124.65626	0.7
125.02469	5.3
133.02983	1.3
134.03743	3.0
135.04515	3.3
137.02419	1.5
139.04018	0.9
145.02951	1.2
146.03746	20.8
147.04457	1.5
149.02530	1.3
149.06058	2.1
150.03206	7.3
151.03902	1.0
160.01665	1.3
161.02451	5.3
161.04660	1.3
161.06075	6.4
162.03197	3.1
163.04034	1.9
163.07649	1.0
164.04797	13.3
165.05577	4.2
171.10233	1.1
174.03171	1.2
175.04021	1.3
177.05574	1.1
179.07123	17.4
180.07535	1.4
187.03998	1.3
188.04715	0.8
189.05598	2.0
191.07100	2.2
201.05438	1.6
201.09267	1.2
202.06305	1.5
203.07103	2.0
204.07896	2.7
205.08644	5.4
207.10236	3.5
209.11858	1.7
213.05608	0.9
217.08717	4.4
218.09401	1.5
219.10234	4.3
225.11293	2.3
228.07899	1.1
229.04985	1.4
229.08672	5.1
257.04578	1.9
283.05872	1.0
284.03336	1.0
285.04025	12.4
286.04514	2.3
293.04565	0.9
297.04062	0.9
299.05603	3.1
300.06403	7.8
301.06989	1.2
309.20703	1.5
311.05658	4.5
311.08719	0.8
336.10001	1.3
337.10742	1.3
351.12299	1.4
353.10260	3.2
354.11081	35.8
355.11545	6.6
367.11868	1.5
368.12466	1.1
369.13403	100.0
370.13837	14.4
371.14932	2.1
385.16476	2.6
409.14658	0.9
505.34879	0.8
513.17560	6.1
514.17944	1.1
519.20288	3.3
531.19940	6.7
532.19672	1.1
549.21179	9.4
550.21350	1.9
573.19824	18.2
574.20203	4.2
644.29578	1.0
693.25867	1.5
709.41010	1.1
723.26978	0.9
753.27722	6.0
753.40265	1.3
754.27435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12883	0.7
59.01379	9.4
61.98837	11.4
71.01379	3.6
71.62534	0.9
73.02952	1.5
75.00790	0.9
85.02974	1.7
87.00910	1.6
89.02469	0.9
95.01360	1.1
99.00870	0.8
101.02451	1.2
109.02967	1.2
109.06567	1.0
112.98826	1.6
113.02440	1.1
121.02961	1.6
123.00851	4.0
123.04554	0.9
124.01669	3.1
124.65626	0.7
125.02469	5.3
133.02983	1.3
134.03743	3.0
135.04515	3.3
137.02419	1.5
139.04018	0.9
145.02951	1.2
146.03746	20.8
147.04457	1.5
149.02530	1.3
149.06058	2.1
150.03206	7.3
151.03902	1.0
160.01665	1.3
161.02451	5.3
161.04660	1.3
161.06075	6.4
162.03197	3.1
163.04034	1.9
163.07649	1.0
164.04797	13.3
165.05577	4.2
171.10233	1.1
174.03171	1.2
175.04021	1.3
177.05574	1.1
179.07123	17.4
180.07535	1.4
187.03998	1.3
188.04715	0.8
189.05598	2.0
191.07100	2.2
201.05438	1.6
201.09267	1.2
202.06305	1.5
203.07103	2.0
204.07896	2.7
205.08644	5.4
207.10236	3.5
209.11858	1.7
213.05608	0.9
217.08717	4.4
218.09401	1.5
219.10234	4.3
225.11293	2.3
228.07899	1.1
229.04985	1.4
229.08672	5.1
257.04578	1.9
283.05872	1.0
284.03336	1.0
285.04025	12.4
286.04514	2.3
293.04565	0.9
297.04062	0.9
299.05603	3.1
300.06403	7.8
301.06989	1.2
309.20703	1.5
311.05658	4.5
311.08719	0.8
336.10001	1.3
337.10742	1.3
351.12299	1.4
353.10260	3.2
354.11081	35.8
355.11545	6.6
367.11868	1.5
368.12466	1.1
369.13403	100.0
370.13837	14.4
371.14932	2.1
385.16476	2.6
409.14658	0.9
505.34879	0.8
513.17560	6.1
514.17944	1.1
519.20288	3.3
531.19940	6.7
532.19672	1.1
549.21179	9.4
550.21350	1.9
573.19824	18.2
574.20203	4.2
644.29578	1.0
693.25867	1.5
709.41010	1.1
723.26978	0.9
753.27722	6.0
753.40265	1.3
754.27435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03437	1.6
59.01381	22.5
61.98818	3.1
65.64460	0.7
65.64985	0.8
67.99468	0.8
69.03426	0.9
71.01377	11.5
71.61217	0.9
72.99283	3.2
73.02948	10.8
77.73895	1.0
83.01370	2.5
84.02139	1.3
85.02938	4.5
87.00871	3.4
87.08070	0.7
88.98808	0.9
89.02441	3.4
90.16368	0.7
93.03453	1.4
95.01392	1.0
96.96007	1.6
97.02933	1.9
99.00881	15.4
101.02452	8.4
104.05028	1.1
104.62984	0.8
109.02948	3.2
111.00860	0.9
112.98808	4.6
113.02448	11.0
115.29872	0.7
117.03465	1.4
119.03497	0.8
119.05052	4.5
121.02939	1.8
123.00867	2.4
123.04495	1.1
124.01633	1.4
124.65373	0.8
125.02466	4.5
131.03525	1.2
133.02983	1.9
133.42685	0.8
134.03709	1.5
135.04536	6.2
137.02454	11.6
138.03224	1.9
139.00343	1.9
139.04008	3.3
143.03453	1.4
145.02951	5.0
148.04007	2.5
149.00876	4.8
149.02406	1.4
149.04361	1.0
150.03185	1.5
151.00369	26.4
151.03992	2.5
152.01070	3.6
152.04723	2.4
153.01955	1.4
154.43178	0.9
161.02386	3.4
161.04562	1.7
163.04031	4.3
165.01868	0.9
165.05560	1.1
166.02716	77.7
166.05042	5.4
167.03343	6.5
169.68423	0.8
173.02412	1.5
175.03973	4.1
176.04784	1.3
177.01953	4.4
177.05547	1.2
178.02621	1.4
179.03484	5.0
180.04153	0.8
181.05067	100.0
182.05365	4.3
187.03966	1.1
190.06361	1.9
191.03458	5.8
191.05267	1.3
191.07091	1.1
192.04268	2.3
193.05074	2.1
195.03001	1.1
196.03232	0.8
203.03488	2.5
203.05400	0.9
204.13878	0.8
205.05092	4.5
205.08743	1.6
206.05846	4.9
207.06586	1.6
210.04083	5.8
215.03452	0.9
217.04964	1.2
218.05733	0.9
219.02905	1.4
219.06525	1.4
220.07332	1.9
221.04541	0.9
221.08160	6.8
233.08188	1.6
235.09477	0.8
251.09457	0.8
271.68524	0.8
275.07565	1.2
293.08649	1.4
327.08621	2.5
335.09451	0.9
340.09470	0.8
355.12283	0.9
356.12509	0.9
359.11212	2.0
367.11710	1.0
369.09769	3.1
372.12079	3.2
373.12589	1.1
384.12393	4.9
385.12973	1.4
387.10678	16.3
387.14636	11.3
388.11127	2.7
398.13718	1.0
399.14478	27.6
400.14932	4.4
402.13110	12.3
403.13632	3.0
415.15103	1.5
417.15564	87.0
418.15823	12.3
529.16699	0.8
577.32788	1.8
591.21448	1.1
593.83856	0.8
663.22961	2.5
675.23291	5.5
676.23267	1.6
681.23743	2.0
693.24011	11.9
694.23969	2.5
711.12189	1.3
711.24945	23.7
712.25220	5.8
723.25085	3.6
724.24774	1.4
735.25061	7.0
736.25415	2.9
753.26001	31.5
754.26428	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	752.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.8
61.98830	100.0
71.01378	3.0
71.62470	0.6
72.99323	1.1
73.02959	1.4
83.01395	0.8
85.02951	1.3
87.00890	1.8
89.02457	1.3
99.00906	0.7
101.02434	2.6
112.98823	1.6
113.02485	1.6
119.05051	1.1
121.02969	0.5
133.02972	0.5
135.04550	1.9
145.02997	0.7
146.03725	1.1
149.04590	0.6
150.03244	0.7
161.02444	0.5
161.04608	0.7
161.06129	0.6
164.04881	0.7
179.03484	0.9
179.07118	0.8
195.14105	0.5
201.05803	0.6
203.03586	0.5
209.11765	0.5
213.05589	0.4
215.03520	1.0
216.04407	0.6
217.08694	0.5
223.13550	0.5
259.06256	0.6
277.03687	0.7
285.04031	0.6
293.03168	0.6
293.21194	3.2
294.21552	2.9
354.11322	0.8
369.13516	1.4
381.24847	0.5
397.13495	1.0
399.74307	0.4
415.14987	1.2
458.28235	0.5
513.17792	0.6
573.20172	0.5
592.29449	0.6
635.28821	2.2
644.69897	0.5
649.40009	0.7
693.25336	0.6
708.41174	1.8
709.41095	1.3
742.76593	0.5
753.27350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.1
59.01093	1.8
59.01384	30.5
60.57281	0.9
60.97489	1.0
61.98832	6.5
63.19171	1.1
67.01890	1.2
68.99815	1.4
71.01388	7.7
72.99320	6.6
73.02949	4.1
78.29477	1.0
79.74487	1.1
83.01378	1.5
83.05044	1.6
85.02970	2.7
87.00882	16.4
88.98808	1.6
89.02436	4.0
93.03463	2.7
95.25257	1.1
96.96000	1.6
99.00861	2.4
101.02452	5.0
103.00365	4.6
104.05083	2.8
105.01938	2.6
106.06639	1.7
107.05048	3.0
108.04543	2.7
109.02970	4.0
111.00871	1.2
111.97266	1.1
112.98829	17.5
113.02440	3.7
119.05018	5.1
121.02955	2.4
122.03742	2.6
122.06100	2.4
123.04524	3.5
124.01674	3.6
125.02428	3.5
127.00355	3.5
130.99876	4.2
132.04559	14.8
133.02951	1.9
134.03812	5.4
134.06117	21.5
135.04530	51.6
136.01640	3.6
136.04869	2.7
137.02455	7.2
137.06071	1.9
138.03279	5.6
139.00273	1.3
139.03995	2.5
144.04630	1.9
145.03024	2.0
147.04442	1.2
148.04059	1.2
149.00920	58.8
149.02344	3.7
149.06082	2.4
150.03226	43.3
151.04019	12.6
152.01102	1.9
152.04796	2.5
152.07141	7.3
158.06076	2.8
159.04436	1.1
160.03990	2.8
161.02444	8.7
161.04593	1.7
162.03041	1.2
163.03992	9.3
163.07669	1.4
164.04790	8.7
165.05573	38.3
166.05934	1.9
167.03487	3.8
175.04060	1.4
176.03572	3.1
177.05563	3.8
177.09233	2.2
178.06393	3.7
179.03499	47.7
179.07007	2.6
180.03909	2.3
188.03577	2.3
188.07126	1.1
188.77023	1.1
189.04082	1.5
189.05640	2.6
190.06465	2.5
191.07159	3.2
193.05090	2.2
193.08801	2.0
193.90527	1.1
195.06647	5.2
198.28572	1.1
198.98901	1.3
203.07080	2.8
204.07710	1.3
205.05063	1.6
205.08791	5.1
208.06158	2.2
209.08221	4.5
216.99902	4.6
217.08733	4.4
219.03008	3.7
221.08177	16.0
222.08734	2.0
223.12457	1.2
229.08734	1.4
229.43138	1.4
231.02852	1.3
233.08156	1.8
235.07381	2.5
235.09776	46.1
236.10068	3.1
239.05609	2.3
251.11899	7.9
255.11472	2.7
267.11215	2.2
279.11389	17.0
280.11542	2.0
284.06848	1.5
287.05627	2.2
293.02930	7.3
295.10892	5.1
297.12299	2.4
300.06326	1.4
302.07901	3.2
311.04114	10.5
323.10388	18.1
324.10574	1.4
327.08582	1.7
337.11920	2.1
341.11511	6.5
354.11240	2.1
355.13016	37.3
356.13174	2.3
361.16565	2.3
369.13446	3.0
373.14139	6.2
383.12500	6.8
384.13077	1.5
387.14496	74.1
388.14624	6.6
397.13611	1.5
415.15109	100.0
416.15579	12.7
427.10251	2.8
483.13873	1.1
509.21857	1.6
515.85156	1.2
531.18579	3.9
545.26172	2.2
549.19788	44.7
550.19751	5.2
577.32495	7.9
591.21088	31.0
592.21130	3.8
709.33075	2.1
711.24121	1.7
753.25964	18.7
754.26538	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	751.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32117	1.7
59.01390	38.2
61.98834	84.3
69.68555	1.6
71.01389	15.4
73.02938	4.5
83.01377	1.9
85.02926	3.9
87.00879	5.8
89.02450	10.9
97.02957	2.4
98.67339	1.8
101.02478	11.2
112.98807	5.3
113.02451	7.9
119.03493	3.2
121.02960	1.9
125.02443	2.5
130.86726	2.1
135.04533	8.3
137.02518	2.3
149.06091	2.6
161.04573	3.0
171.56998	1.8
179.03578	4.6
195.13901	7.7
219.02982	2.2
223.13367	5.4
235.21313	1.7
249.21852	2.0
271.89230	2.0
275.20084	3.2
292.20358	1.9
293.03036	2.7
293.21265	100.0
294.21552	7.3
295.03329	1.7
397.13528	22.0
415.14566	31.7
416.14713	5.0
457.28101	4.5
503.33334	2.9
590.28168	2.5
707.40070	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	751.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08272	1.8
59.01385	56.3
61.68443	1.6
61.98836	100.0
63.75837	2.0
65.27275	1.8
71.01385	25.7
71.62717	2.9
72.99316	2.3
73.02938	6.4
85.02954	6.3
87.00877	7.5
89.02448	12.8
90.19082	2.0
95.01378	2.8
95.75994	2.2
96.96001	3.2
99.00876	3.4
99.04526	7.9
101.02444	14.7
103.00321	3.1
109.02965	2.2
112.98846	12.0
113.02453	10.9
116.92834	2.8
119.03527	3.4
119.05045	3.2
121.02975	2.9
123.04533	2.3
125.02429	5.0
133.02986	4.7
134.50043	1.9
135.04539	14.9
136.01765	1.9
137.02469	4.5
146.03674	2.7
149.00902	4.0
149.06099	2.2
161.02460	3.7
161.04639	3.7
161.06053	3.7
163.04021	3.0
178.02673	1.8
179.03481	9.3
179.07173	5.7
183.48691	2.4
209.08191	3.1
215.07187	2.0
225.11346	2.1
235.08203	3.9
235.17120	11.5
236.17487	1.9
275.20187	17.5
293.02936	5.2
293.21262	44.0
294.21469	4.3
296.11276	2.0
329.14783	2.1
397.13480	33.6
398.13806	4.3
410.19009	1.9
415.14569	20.4
416.14713	3.3
503.34097	12.2
542.25500	4.5
589.27081	2.6
619.30078	3.1
647.37524	2.6
707.40021	8.3
711.69159	2.0
745.06647	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
61.98828	0.7
71.01385	1.4
71.62107	0.2
72.99310	3.5
73.02960	0.3
73.99635	0.3
75.00874	100.0
76.01199	1.2
83.01392	0.2
85.02948	0.5
87.00880	0.4
88.98786	0.4
89.02432	1.0
90.08375	0.2
97.02969	0.3
98.61446	0.2
101.02433	1.5
113.02479	0.8
114.90961	0.2
119.03523	0.3
125.02451	0.5
134.01015	0.2
143.03523	0.2
161.04640	0.3
179.05525	0.3
197.11850	0.4
207.10306	0.2
221.06613	0.2
223.13280	0.3
235.08304	0.7
253.09378	0.3
263.07678	0.2
277.21680	3.3
278.22076	0.6
287.07703	0.3
291.19699	0.4
343.17932	0.2
397.13519	7.3
398.13773	0.6
415.14523	2.3
416.14728	0.3
458.58942	0.2
697.31653	0.2
751.39795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39891	0.2
59.01381	1.6
61.59910	0.1
61.98834	3.0
68.13522	0.2
69.32742	0.2
70.22567	0.8
71.01382	1.2
72.99307	3.7
73.02942	0.2
75.00873	100.0
76.01221	1.2
78.92658	0.1
81.40360	0.2
83.01359	0.2
85.02932	0.2
87.00879	0.2
89.02447	1.1
101.02440	1.3
111.31818	0.2
113.02435	0.3
119.03499	0.4
119.69373	0.2
121.02961	1.8
122.03246	0.4
125.02444	0.5
143.03500	0.4
161.04555	0.3
179.05652	0.3
235.08258	0.7
250.15295	0.2
277.21768	2.9
278.22052	0.4
287.07559	0.2
293.21118	0.2
305.08862	0.3
345.39987	0.2
397.08255	0.3
397.13495	6.2
398.13916	0.6
415.14542	1.6
416.14682	0.3
439.25034	0.5
440.25162	1.0
660.77899	0.2
675.35388	0.2
751.41559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45589	1.7
57.03431	4.7
59.01379	38.9
61.98838	38.6
67.39455	1.9
70.81447	4.7
71.01382	24.4
72.65962	1.8
72.99306	3.3
73.02948	4.9
73.09286	1.7
74.72252	1.6
75.29461	1.8
75.49217	1.8
82.29627	1.8
83.01412	2.8
85.02961	7.4
87.00890	6.3
89.02448	17.4
97.02934	4.0
101.02462	15.5
112.98795	3.0
113.02462	7.2
113.09726	11.1
116.92835	2.5
119.03490	6.1
125.02442	4.5
134.03862	1.9
135.04503	4.0
143.03497	2.4
161.04593	5.3
162.78070	2.0
171.10289	3.0
179.05663	4.0
179.10820	2.6
207.10197	1.9
209.11774	2.0
223.09721	2.2
225.11282	2.0
235.08139	6.0
249.22205	2.5
289.18048	2.4
293.21252	100.0
294.21481	8.4
305.08624	2.4
397.13498	59.5
398.13846	7.1
415.14633	29.1
503.33765	2.4
674.78625	2.2
691.35437	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60251	0.8
57.03434	2.8
58.00566	1.3
59.01099	1.7
59.01384	29.4
60.94557	0.9
61.33139	0.8
61.98834	17.3
66.42925	0.7
69.03452	1.7
71.01389	18.4
71.60825	1.3
72.99331	1.5
73.02950	3.9
81.03438	0.8
83.01376	2.6
85.02967	4.2
85.34093	0.9
87.00882	5.7
89.02443	16.2
95.01377	1.1
97.02956	2.5
99.00864	1.6
101.02452	14.2
105.73050	0.8
112.98775	2.1
113.02472	7.5
113.09727	11.8
116.92860	1.2
119.03506	4.0
119.60690	0.8
125.02449	6.6
128.20273	0.8
135.04523	1.9
139.11281	1.7
143.03482	2.6
149.00908	0.9
161.04579	3.9
167.10809	2.2
171.10245	1.8
179.03432	1.2
179.05618	3.8
179.10757	1.3
195.13855	2.6
209.11705	0.9
211.13419	1.6
235.08247	6.0
253.09340	1.5
275.20065	2.4
287.07620	1.9
293.03162	1.1
293.21234	100.0
294.21530	10.5
305.08676	2.2
397.13519	59.4
398.14038	4.9
415.14612	25.6
415.20007	0.7
416.14926	2.1
519.10138	1.0
691.34967	4.0
692.35834	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	37.9
61.98832	79.9
69.98735	5.4
69.99138	6.3
71.01379	24.6
72.99296	3.1
73.02949	3.5
78.15289	2.1
80.96513	5.9
81.51614	2.1
82.64468	2.3
85.02958	6.1
87.00883	10.0
89.02431	13.6
95.44745	2.1
96.95990	3.1
99.00871	3.4
99.04533	2.9
101.02428	13.1
111.08118	4.4
112.98798	9.5
113.02431	4.3
119.03529	6.2
119.05013	3.4
121.02937	2.5
121.10210	2.2
125.02450	7.2
125.09700	3.6
130.86218	2.5
133.02950	3.3
135.04521	6.1
137.02443	6.7
149.00922	8.1
149.04480	2.6
161.04584	3.8
163.04016	2.8
163.11288	2.5
177.01907	2.6
179.03453	3.2
185.11794	4.6
187.04129	3.2
187.07640	2.5
195.13770	2.7
209.11787	4.3
223.13336	2.5
225.00703	3.2
235.08339	2.9
277.03680	2.8
291.19681	100.0
291.22995	5.1
292.20062	10.4
319.15332	2.5
344.16330	2.8
352.12430	3.0
394.75784	2.3
397.13458	43.4
398.13962	4.9
415.14435	22.5
427.64999	2.3
457.69547	2.4
501.32190	4.5
538.16888	2.9
559.56750	2.4
689.33606	7.5
749.29742	11.5
750.30701	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4478
Annotation	decarboxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
55.01875	1.7
57.03448	2.9
58.00587	0.8
59.01381	13.4
61.98833	1.4
67.01876	0.7
68.99823	1.7
69.03433	0.5
70.93616	0.5
71.01384	23.5
72.01706	0.3
72.99310	1.9
73.02946	3.6
75.00872	14.2
80.35416	0.3
83.01384	4.0
85.02952	15.9
86.00095	0.5
86.03262	0.5
87.00868	0.5
89.02447	8.2
95.01392	3.5
99.00885	11.2
101.02454	1.7
111.00868	0.3
112.01672	0.3
112.98823	0.3
113.02453	6.6
115.00344	0.6
129.01924	0.6
131.03548	0.7
139.00311	0.5
153.45378	0.3
157.01390	1.3
159.45042	0.3
223.15341	0.3
363.25571	0.3
420.33298	0.3
423.32983	0.3
439.35977	2.1
440.36090	0.4
509.39975	0.9
553.38287	0.3
599.39502	0.5
617.41095	0.5
749.44788	100.0
750.45166	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	751.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14389	0.5
58.00571	0.7
59.01379	14.4
60.01730	0.8
60.50846	0.6
61.98833	13.9
62.30386	0.7
70.90652	1.7
71.01379	5.1
72.99310	0.8
73.02947	2.2
85.02950	1.7
87.00872	3.6
88.98811	3.4
89.02442	2.0
95.01373	0.9
96.96034	0.7
99.00864	1.8
101.02428	2.9
108.02157	1.1
109.02943	1.6
112.98817	4.2
113.02454	3.7
119.05015	1.7
121.02888	0.7
123.00914	0.8
124.01596	3.4
125.02438	1.2
129.80629	0.7
135.04520	4.9
136.01659	0.7
137.02419	2.6
138.03253	0.7
139.03984	1.4
141.75101	0.6
143.03465	0.8
145.02965	0.8
147.04492	0.9
149.00931	2.4
149.02386	4.1
149.04520	1.2
149.06085	0.9
150.03229	26.2
151.03787	2.0
152.01128	0.8
161.02429	2.9
161.04620	1.4
162.03206	1.1
162.21019	0.6
163.03999	5.5
164.04851	0.7
165.04158	1.1
165.05559	17.0
166.05922	1.6
171.19547	0.6
175.04008	4.4
175.07619	0.9
177.05548	0.9
177.09225	0.7
179.03514	2.9
187.07626	1.1
189.05588	1.9
190.06409	0.8
191.07164	1.9
192.07927	7.0
193.08578	1.9
200.08415	0.6
201.09174	1.1
203.07166	5.4
204.07916	14.8
205.08638	4.9
206.09206	0.7
207.10287	4.1
214.06195	0.6
217.08667	5.9
218.09454	32.2
219.10194	9.1
220.10391	0.7
231.10298	1.0
233.11809	25.5
234.12169	2.4
255.10150	0.8
267.12402	0.9
285.04083	1.5
286.04761	2.3
293.03207	1.0
299.05551	1.0
301.07187	2.0
309.11270	0.7
319.90610	0.7
327.08630	2.0
339.12543	0.8
353.13974	1.1
354.10901	1.6
355.11804	3.8
369.13428	1.3
370.14175	12.3
371.14789	2.1
385.16568	100.0
386.16937	13.3
479.15607	0.7
547.21875	35.8
548.22058	6.2
563.89966	0.8
575.34674	1.3
589.23035	5.6
590.23688	1.1
616.68134	0.6
619.31024	1.0
631.36908	1.3
649.38336	1.9
650.38324	1.0
707.38702	1.1
709.27191	1.1
751.27966	7.4
752.28473	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	749.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03449	20.7
59.01381	43.0
61.98825	1.1
69.03450	2.0
70.21456	2.6
71.01388	17.2
72.99312	1.9
73.02950	7.6
74.61411	0.7
77.47144	0.8
79.01919	0.9
83.01381	2.9
85.02950	6.7
87.00866	2.5
89.02454	9.1
93.03501	1.2
95.01370	1.7
97.02966	2.1
99.00880	10.7
99.04521	14.6
101.02451	13.7
109.02960	1.5
111.00854	0.9
112.98819	0.8
113.02465	12.7
115.04027	2.6
119.03517	1.6
123.08159	7.5
125.02444	7.0
131.03511	2.4
134.03702	0.9
135.04515	2.9
137.09723	1.1
143.03506	10.1
149.00922	2.3
149.04565	3.3
149.06105	0.8
161.04549	13.3
163.11342	5.7
165.01901	1.3
179.03493	0.8
180.04057	1.0
181.04935	1.4
189.12871	6.8
191.05695	2.6
195.06673	1.0
196.64793	0.7
203.05656	1.6
207.13890	8.0
208.14180	1.1
221.76901	0.8
225.07578	1.0
225.14868	0.8
233.06628	1.5
429.21494	2.0
458.41968	0.8
465.98749	0.9
501.23495	9.2
502.23981	2.2
519.24426	10.1
520.24786	2.5
543.24493	11.2
544.24640	2.0
561.25525	100.0
562.25867	21.3
562.34668	1.1
603.27002	1.2
617.21210	1.7
705.29797	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	749.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12513	2.0
57.03447	2.2
59.01382	41.2
61.98828	11.5
71.01381	12.6
71.62425	2.2
72.26742	1.9
72.99323	2.1
73.02946	7.0
83.01402	3.4
85.02953	5.2
87.00871	7.8
89.02439	8.3
94.02991	2.7
95.04984	1.9
96.96037	6.1
99.00861	4.6
99.04462	2.4
101.02439	8.2
105.01984	2.5
107.03693	2.1
108.30940	1.9
112.98841	9.1
113.02451	6.1
113.06104	2.3
115.04017	3.7
119.03559	2.0
119.05036	5.9
120.01268	5.8
120.08226	3.1
121.02924	3.1
122.00820	3.4
122.06103	14.9
123.04586	1.9
124.04035	4.3
124.89533	1.7
134.03703	2.0
135.04529	26.7
136.04044	5.5
137.02423	3.5
138.05634	4.8
145.02959	2.8
147.04521	2.3
147.05608	2.5
149.00935	10.0
150.03223	5.0
150.05608	5.4
151.07642	6.7
159.04483	2.1
161.02501	4.1
161.04752	5.1
163.04045	2.7
165.05562	3.7
167.03473	3.2
174.05641	5.3
175.03952	2.2
179.03500	7.7
192.69002	2.0
201.10287	17.4
202.10661	1.8
203.05762	3.9
213.10321	7.9
215.11859	8.1
219.02849	2.3
227.11838	2.4
229.09872	18.8
229.13432	7.6
237.10161	2.3
239.11931	11.5
241.09801	2.6
255.11400	5.2
257.12906	6.2
273.12427	5.6
281.09198	2.1
283.10834	11.5
289.11957	6.6
293.03067	2.7
301.11914	19.8
302.12244	2.3
319.12970	100.0
320.13266	8.7
325.11932	3.9
327.13452	5.2
330.12445	2.4
342.12268	2.4
359.12817	2.6
372.13406	2.9
386.15140	3.3
387.15707	2.2
400.16669	2.3
403.14914	3.6
404.16058	11.4
405.16714	4.2
428.16129	3.1
431.15497	2.4
432.15915	4.0
437.15750	3.1
446.17197	5.0
447.17899	3.3
476.30032	2.4
509.21893	3.2
527.23041	19.3
551.22925	6.2
561.25403	2.4
569.24030	63.4
570.24329	14.6
572.22650	5.4
587.24786	7.1
613.23053	65.4
614.23169	14.1
618.35199	3.0
629.25928	11.3
630.26941	3.4
645.25616	52.4
646.26086	15.0
673.25024	16.1
674.25629	3.6
687.39606	3.5
705.27753	15.6
706.27802	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	749.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38807	1.8
57.03447	22.2
59.01380	77.1
61.98837	14.0
69.03445	2.4
71.00533	3.9
71.01386	27.2
72.99304	6.2
73.02955	10.6
75.00885	4.8
83.01378	3.5
83.05040	1.8
85.02940	14.0
87.00870	16.9
89.02436	15.6
93.03513	2.1
95.01414	2.9
96.95995	6.8
97.02952	2.5
99.00894	22.7
99.04522	22.2
101.02451	22.3
103.00384	3.9
105.08295	1.9
107.04999	2.0
108.02178	5.4
109.02925	7.0
111.04534	2.3
112.98833	12.9
113.02450	18.0
115.03992	2.5
119.03487	3.4
119.05002	10.0
120.01218	2.0
121.02975	2.2
122.06083	2.5
123.00908	2.4
123.04539	2.5
123.08110	3.8
125.02433	8.6
131.03459	4.5
133.03004	4.0
134.03717	6.0
135.04533	19.2
136.01640	3.9
136.04897	2.3
137.02417	7.3
143.03555	14.7
145.02957	6.3
149.00902	15.1
149.02383	5.9
149.04514	5.9
149.06097	6.2
150.03210	6.4
151.04004	9.4
152.01137	7.6
161.02425	5.5
161.04568	15.7
163.04004	8.5
163.11250	5.5
164.04666	2.8
165.05539	7.8
165.79340	1.9
175.03987	4.4
177.01923	4.0
179.03545	10.7
179.07083	2.5
181.05138	10.3
189.12828	5.8
191.03543	2.2
191.05624	7.1
193.05042	5.5
195.06621	2.9
203.03546	3.7
203.05800	2.1
207.13875	7.4
208.03743	2.3
223.06093	5.3
233.06564	2.6
255.73668	2.0
277.03360	2.8
410.54462	1.9
417.10373	5.3
426.88324	2.3
501.14426	3.9
501.23303	11.1
519.24652	13.7
543.24231	8.2
561.25494	100.0
562.25903	17.2
598.38086	2.0
617.21368	3.5
705.29169	6.4
749.24207	4.0
750.24506	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	747.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.46399	1.6
61.98827	4.3
71.61330	1.4
71.61778	3.2
72.14680	1.5
77.88696	1.4
78.95913	2.4
84.27181	1.5
96.96049	2.1
143.48579	1.4
171.10193	2.2
255.23447	2.7
265.14786	1.9
315.63617	1.5
473.18127	4.3
512.13324	9.7
513.13806	2.4
526.14978	13.0
527.15253	6.4
569.16705	2.0
599.18164	2.2
601.19763	4.0
614.20178	86.2
615.20526	26.1
646.19067	15.3
647.20007	4.7
673.22760	2.0
687.23163	8.0
688.23041	1.7
747.25287	62.0
747.37500	4.3
748.25433	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	747.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30923	0.6
55.01866	0.9
57.03440	2.1
59.01381	54.6
60.01715	0.8
61.98831	7.9
69.03442	0.8
71.01383	21.3
71.61501	0.8
72.99299	2.5
73.02948	7.2
75.00856	0.8
83.01365	3.6
85.02962	7.9
87.00870	3.4
89.02457	8.4
95.01367	2.5
96.95976	1.6
97.02954	0.8
99.00886	2.3
101.02444	16.5
108.02157	0.6
112.98820	2.8
113.02455	11.2
119.03535	3.3
119.04996	1.6
119.81345	0.7
120.99667	3.2
121.02949	0.9
122.06142	0.7
125.02421	1.0
133.02916	0.8
134.03825	0.7
135.04536	3.7
137.02478	1.0
143.03523	0.8
145.02942	1.0
149.00899	2.0
149.02359	0.8
150.03192	1.0
159.02985	1.8
159.04350	0.8
161.02396	0.8
161.04582	3.2
163.03992	1.9
165.02017	0.7
165.05609	1.3
175.03943	1.1
177.01846	1.0
179.03525	1.8
179.05598	0.9
181.04976	0.6
213.10315	0.7
219.03151	0.7
229.09834	1.1
247.20673	2.5
257.12894	0.9
285.49768	0.7
293.24936	2.2
301.11993	0.7
319.12976	3.8
337.23877	0.8
436.06882	0.7
455.22778	8.5
455.28931	1.2
456.23209	2.5
481.27988	1.6
499.28723	4.1
523.17188	0.7
523.29065	1.0
540.29584	0.9
541.30157	100.0
542.30597	15.4
625.57391	0.7
627.24573	2.7
671.23669	0.9
703.26886	0.9
703.38977	1.4
747.36133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73080	0.5
59.01376	0.8
60.81488	0.5
61.98832	100.0
62.93013	0.5
70.14446	1.0
70.14849	1.8
71.01344	0.6
80.96526	0.6
87.00855	0.6
100.43565	0.5
103.43037	0.5
119.05055	1.2
129.11610	0.5
146.96548	0.8
149.00902	0.7
163.03998	0.9
277.21915	0.6
518.54724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.73002	1.1
59.01377	39.7
61.98828	7.2
62.59157	1.0
71.01373	6.3
72.99290	1.4
73.02946	3.1
80.05061	2.8
83.01410	1.5
85.02944	3.3
87.00883	2.6
89.02464	2.8
99.00838	2.5
99.04494	1.7
101.02444	3.5
106.06660	6.0
107.03768	1.7
108.04581	2.4
112.98808	4.1
113.02442	3.2
122.06095	9.1
130.06639	1.4
131.03651	1.1
134.05183	1.9
134.06125	25.4
134.07161	1.4
135.04510	3.1
136.07651	3.1
137.02431	1.2
146.06110	2.5
148.07640	2.0
149.00909	1.6
151.07639	3.5
152.07132	6.0
157.08730	1.2
160.03963	2.6
162.05597	1.2
163.04085	1.1
174.05589	3.2
179.03444	1.2
180.06647	8.0
186.05656	1.3
188.07137	12.6
189.07503	1.5
190.62767	1.2
193.05008	1.3
194.07950	1.1
211.08693	2.9
212.24146	1.2
225.10236	5.7
227.11862	5.8
237.10370	2.3
238.07602	1.2
239.12025	2.0
248.09430	1.8
249.10225	2.5
251.11891	2.0
252.08981	1.8
253.09862	6.4
264.09024	2.4
265.09680	2.4
267.11444	5.6
277.09692	5.7
279.07745	3.1
279.11407	3.9
292.08496	2.5
293.09283	5.2
293.12589	1.4
294.10117	2.2
295.10846	22.1
296.11234	3.1
305.09381	5.3
306.10104	1.5
307.10873	15.4
308.11453	2.8
319.10477	1.1
321.08664	1.7
321.12372	1.8
354.12302	1.4
358.15601	1.2
365.11447	1.8
372.17270	2.4
374.18796	1.4
398.15164	1.5
400.16489	3.3
408.37442	1.3
414.18228	3.6
418.17386	2.8
442.17679	11.7
443.17923	3.1
458.16617	1.3
468.15912	1.2
479.30148	3.4
486.16635	3.6
487.17035	1.4
497.30936	3.4
502.19839	41.6
503.20270	9.6
518.19293	3.6
519.20087	1.7
539.28644	12.6
540.28790	2.6
546.18756	100.0
547.19128	22.8
578.21393	42.2
579.21649	10.5
669.25305	5.1
670.25635	1.3
701.27905	2.4
745.37720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.7
59.01381	62.4
60.99296	1.3
61.17949	1.3
61.98833	30.5
66.34317	1.2
68.10749	1.4
68.83191	1.2
69.03501	1.8
69.51241	5.5
69.51661	4.1
71.01392	14.3
72.99323	3.6
73.02954	6.5
74.89657	1.2
75.00865	1.2
80.05094	3.3
80.33413	1.1
83.01398	4.1
85.02965	6.1
85.84871	1.1
87.00898	6.6
88.98826	2.5
89.02457	7.1
93.03438	1.9
95.01389	1.4
96.96004	3.9
97.02934	1.2
97.06609	1.6
99.00881	3.3
99.04515	1.7
101.02460	11.8
102.02753	1.5
104.05061	1.4
105.53904	1.5
106.06635	4.9
107.05011	1.5
108.02144	1.3
108.04567	3.7
109.02943	2.3
112.98811	11.7
113.02469	7.2
119.03558	1.6
119.05046	2.5
121.02923	2.1
121.05365	1.6
122.06134	4.8
123.04565	2.5
123.08103	1.5
125.02439	2.1
127.00452	1.6
133.02983	3.1
134.03752	4.3
134.06131	22.2
135.04506	9.9
136.07681	3.0
137.02440	4.5
137.06020	1.5
139.11340	2.1
143.03520	2.3
145.02995	1.5
146.06122	3.1
147.03394	1.3
147.04562	1.7
148.04102	1.6
148.49765	1.4
149.00911	6.0
149.04520	1.6
149.06027	2.0
150.03236	2.0
151.04007	2.1
152.01183	2.3
152.07210	4.2
153.01932	1.9
154.08728	2.4
157.05095	1.7
159.04543	1.7
160.01744	1.5
160.04082	1.9
161.02470	3.2
161.04532	2.1
162.05653	1.5
163.04077	3.3
165.05563	2.7
174.05583	2.5
175.03944	3.0
177.09314	1.4
178.02621	1.3
179.03503	4.6
180.06673	5.4
188.07169	15.3
193.05045	3.7
203.03603	1.7
211.08865	2.2
211.13402	2.3
219.02954	1.9
225.10349	4.9
227.11966	4.0
229.14508	3.7
238.07523	2.2
251.08221	2.6
251.11935	2.9
252.09010	1.3
253.09718	4.7
254.10258	1.5
264.08997	1.4
265.09808	3.3
267.11392	3.7
270.01999	1.4
277.09964	7.0
279.07718	3.6
279.11240	2.1
280.08206	1.5
292.08737	2.7
293.03229	1.9
293.09296	4.5
293.12741	1.5
294.10068	2.5
295.10916	25.4
296.11407	1.8
305.09305	3.3
306.09741	1.7
307.10840	17.6
308.11298	1.9
321.12262	1.8
333.43625	1.4
353.23431	1.7
374.18875	2.7
375.27332	3.2
378.23343	1.3
400.16653	3.3
414.18423	3.7
432.91577	1.3
442.17722	9.2
443.18307	1.4
460.18344	3.1
486.16837	5.1
497.30579	4.5
502.19815	39.0
503.20038	5.8
539.28723	17.8
540.28998	4.5
545.16504	2.1
546.18811	100.0
547.19135	21.6
547.26886	2.5
578.21448	52.7
579.21667	10.5
599.30951	1.5
613.32416	2.2
707.43365	1.7
745.36719	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	745.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01381	35.8
61.98826	11.8
68.99812	1.3
69.38644	10.1
71.01389	15.5
72.99313	3.7
73.02947	4.4
83.01390	2.0
85.02955	4.8
87.00889	6.3
87.04501	1.9
88.04023	2.0
89.02429	9.2
93.03460	5.7
95.01423	3.1
95.05018	2.0
96.96008	4.6
99.00864	3.2
99.04509	2.4
101.02446	8.3
103.00346	2.3
107.04977	1.4
108.02177	3.0
109.02953	3.8
112.98821	14.3
113.02433	4.3
113.06067	3.4
117.03508	1.4
119.03489	4.2
119.05054	3.1
119.43306	1.2
120.01250	50.9
121.02964	15.3
122.03767	16.3
123.00918	2.0
123.04497	1.7
123.44000	1.4
125.02432	3.9
132.02177	1.5
133.02956	4.9
134.03745	2.8
135.04527	16.1
136.01674	18.6
137.02490	7.4
145.02986	2.4
146.08231	2.1
147.04515	3.1
149.00948	4.4
149.02446	32.0
149.04518	1.3
149.06032	2.8
150.03226	100.0
150.06862	2.2
151.00346	4.7
151.04012	26.1
152.01167	2.9
155.03433	1.4
157.05049	3.5
159.04459	1.2
160.05203	1.6
161.02448	4.9
161.04579	2.8
161.06062	4.7
162.03174	1.8
163.04019	5.9
163.07582	1.2
164.04805	7.4
165.05563	94.4
166.02730	18.7
166.05865	4.1
167.03462	3.5
172.05194	1.5
175.04031	7.4
175.07628	1.9
176.04568	1.5
177.01967	2.7
177.05537	2.3
179.03531	4.3
179.07092	1.6
180.04308	7.3
181.05090	21.9
182.05490	1.5
189.05539	4.6
190.06348	6.3
195.06625	67.3
196.06966	4.4
201.11304	1.3
203.03455	1.8
205.05066	2.0
207.10272	1.9
218.10378	1.6
275.09158	1.6
282.05414	1.7
304.55798	1.2
309.07367	1.3
315.08694	2.6
327.08713	2.2
329.10187	3.7
339.08643	1.5
342.11099	2.4
356.12463	2.6
357.09668	4.2
357.13394	9.9
358.14093	1.8
369.13480	2.6
372.12149	4.5
373.12762	2.7
386.13507	2.5
387.14478	54.4
388.14908	7.8
412.12131	1.6
497.34976	2.7
505.18637	3.7
535.19714	70.3
536.20026	15.9
539.28741	2.3
545.26086	2.5
565.20886	2.4
583.21838	38.8
584.21942	7.6
603.55109	1.5
613.31793	4.2
745.34918	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27084	0.6
57.03431	1.4
59.01093	1.0
59.01383	18.3
61.98827	2.2
66.67228	0.6
71.01384	12.9
71.38852	1.4
72.99313	1.4
73.02948	2.8
76.10797	0.5
85.02943	2.4
87.00875	2.2
89.02454	11.1
93.03448	2.0
95.05002	1.6
96.96047	1.6
99.00871	1.9
99.04514	0.7
101.02443	5.6
106.04217	0.8
107.05030	5.7
108.02164	8.9
109.02995	4.4
111.04528	1.2
112.04024	0.8
112.98820	2.5
113.02457	4.6
113.06095	5.1
117.03477	16.5
118.03757	0.9
119.03468	3.8
119.05035	2.1
121.02962	6.0
121.45789	0.7
122.03770	4.0
123.04520	1.2
125.02414	1.0
131.05017	2.7
133.06602	7.2
134.03737	2.1
134.06923	0.8
135.04503	3.9
136.01656	0.8
137.02434	2.0
139.04121	0.9
143.03534	1.4
145.02997	0.8
146.03807	1.0
147.04500	2.5
149.00934	1.6
149.02402	1.9
149.04802	0.9
149.06081	7.6
150.03238	3.1
151.03993	1.1
152.01157	14.2
154.02742	1.5
154.66873	0.7
157.05066	2.8
157.08728	0.8
158.03787	1.2
159.04509	14.2
160.04871	1.1
161.02405	1.2
161.04575	1.9
161.06071	5.8
162.03204	8.1
163.03925	1.9
165.05568	11.5
166.02673	0.9
173.08171	1.2
175.04010	1.1
177.05579	18.1
179.03485	9.2
179.05750	1.1
179.07022	3.4
191.05547	0.7
195.06636	1.6
203.03503	23.3
204.03883	1.7
208.62483	0.6
209.73811	0.7
221.04579	8.1
237.05701	0.9
238.06239	1.0
241.05202	0.9
253.05261	1.0
256.07394	0.8
268.07413	1.1
283.09769	1.4
301.07065	0.9
323.09210	0.9
324.10101	0.9
327.08621	1.3
335.09592	1.0
339.08728	2.2
342.11102	2.4
346.14145	5.1
357.13388	4.3
361.16568	100.0
362.16943	13.5
369.13330	5.6
387.14355	1.1
399.09073	3.2
417.10437	1.5
523.21826	7.5
524.22156	1.0
535.19916	1.5
535.93042	0.7
539.28729	2.9
545.25372	0.8
561.25525	2.0
583.21735	1.0
609.13757	0.8
701.30048	1.6
727.18518	1.6
745.19299	9.9
746.20343	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
61.98844	1.2
62.12311	0.7
69.03456	1.2
71.01369	1.3
71.55624	1.0
72.99310	1.6
80.50154	0.7
83.01369	1.6
87.00867	1.0
89.02441	1.0
91.01861	1.1
95.00877	0.7
95.01359	3.5
96.83095	0.7
97.02958	1.4
107.01387	1.5
108.02175	9.1
109.02927	1.5
111.00909	0.7
113.02428	0.7
116.55101	0.7
116.92902	0.8
119.05016	0.9
121.02966	2.6
123.00883	14.8
123.04499	5.8
124.01665	35.8
125.02468	18.1
126.02745	0.8
135.04507	3.0
137.02440	1.4
139.03964	1.1
149.00894	0.8
149.02505	1.1
149.99593	55.0
151.00386	4.4
151.03931	1.1
152.01155	14.9
153.01898	2.3
159.09444	0.7
161.02449	0.7
163.04037	2.3
166.99876	1.7
167.03497	23.8
168.00639	100.0
169.01369	10.0
177.01981	0.7
178.02716	0.7
179.03474	1.2
179.05687	2.0
226.64285	0.7
239.05614	2.2
260.65790	0.7
301.05588	3.2
397.08246	0.8
415.08856	1.3
525.18347	0.8
565.11829	3.0
583.12872	12.4
584.13544	2.6
745.18317	85.9
746.18573	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	745.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01379	21.3
61.98827	9.9
68.99829	2.0
69.56725	1.9
69.57133	5.1
71.01389	9.7
72.99319	5.5
73.02962	4.5
74.92870	0.7
75.00870	1.4
83.01398	2.0
84.99327	6.8
85.02953	5.4
85.75961	0.8
85.80808	0.8
87.00875	6.7
88.85180	0.8
89.02454	4.7
89.03959	0.8
95.01383	1.9
96.96035	1.1
99.00851	1.6
101.02445	7.9
103.00391	1.0
106.06625	0.9
107.05035	1.1
108.04486	0.9
111.00909	1.0
112.98814	100.0
113.02438	4.0
113.99156	1.3
117.03461	3.0
119.03494	1.2
119.05020	1.5
121.02953	18.3
122.06119	1.3
127.00375	4.7
132.02174	0.9
133.02998	1.6
134.03741	42.5
134.06090	2.6
135.04573	8.6
136.01709	1.1
137.02472	3.6
145.02951	1.0
147.04568	1.3
149.00951	1.2
149.06082	14.3
150.03241	1.3
150.06712	1.0
151.03981	1.4
160.01689	7.6
161.02460	4.2
161.04575	1.2
162.03239	7.0
163.03995	20.1
165.05473	0.8
175.04001	11.6
176.04503	0.8
177.05585	1.9
178.02731	6.8
179.03462	2.7
190.02675	4.8
191.03616	1.1
191.07144	2.1
193.05057	47.4
194.05405	3.2
202.02718	1.9
203.03297	1.2
205.05032	4.7
213.10384	2.0
218.02200	1.9
219.06557	2.5
230.02182	2.7
233.04541	25.6
234.04851	2.0
235.06091	2.0
245.04576	3.9
250.01193	0.9
261.04089	0.8
262.23962	0.8
263.05676	1.2
279.11221	1.4
285.12216	3.9
289.03546	3.7
293.03107	0.9
294.46204	0.8
307.04584	65.8
308.04971	6.2
375.12155	0.9
375.65524	1.0
429.08252	1.7
449.27487	1.3
450.27841	1.4
457.23880	0.9
497.27338	1.6
534.22412	7.2
539.28650	17.8
540.28735	1.1
559.27460	9.9
565.24908	1.5
625.26819	4.0
626.26752	1.3
657.29004	5.0
769.18298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00817	0.3
59.01376	0.8
60.08581	0.3
60.99307	17.8
61.98828	2.0
71.01357	0.3
74.61553	0.3
87.00875	2.0
88.00397	3.5
88.98808	100.0
89.02446	13.2
89.99123	1.3
153.15143	0.4
171.10229	0.3
188.57178	0.4
255.23299	0.8
301.38550	0.3
303.70355	0.3
397.13544	1.2
415.14594	0.5
521.07019	0.4
679.95276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03294	1.2
54.63993	1.1
59.01381	13.6
61.98837	16.6
71.01378	3.2
71.62105	1.2
73.02951	1.3
74.99764	1.1
85.02959	1.4
87.00897	1.3
89.02470	1.9
101.02431	2.2
113.02501	1.9
127.11283	2.3
141.01703	3.6
157.77199	1.2
171.10275	100.0
172.10623	5.8
195.13896	3.1
209.11809	1.3
223.13570	1.9
228.22281	1.4
235.08186	5.9
253.09322	10.2
275.20093	6.0
277.21744	1.9
293.21225	44.8
294.21573	5.6
407.19168	2.2
543.08234	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.2
61.98831	100.0
62.98528	0.2
78.95919	0.1
88.10307	0.1
98.20683	0.2
229.41360	0.1
277.21646	0.1
283.26471	0.2
284.26971	0.3
399.14120	0.3
525.48175	0.1
596.42218	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	743.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45824	0.3
59.01381	0.8
60.99311	17.4
61.98833	13.9
71.62354	0.6
75.10926	0.3
87.00880	1.5
88.00405	3.4
88.98810	100.0
89.02444	10.1
89.99152	0.7
93.79281	0.3
101.02443	0.4
120.49657	0.3
134.08868	0.4
135.54611	0.3
153.06860	0.3
171.10281	1.7
201.11404	0.6
209.11781	1.0
209.26332	0.3
210.12158	0.9
255.23227	0.5
272.54620	0.3
277.21652	0.5
278.22137	0.7
279.22516	0.5
293.21179	1.3
397.13455	0.5
397.39438	0.3
520.84888	0.4
540.36896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24074	0.4
52.49092	0.5
52.55948	0.4
55.01870	0.8
57.03447	0.9
59.01381	100.0
59.80533	0.4
60.01724	0.9
61.98837	0.5
69.28145	0.4
69.28419	5.0
71.01388	10.6
72.99311	1.1
73.02948	4.6
78.06984	0.4
82.50124	0.4
83.01399	1.8
85.02956	5.8
87.00918	1.0
89.02469	1.8
93.03453	0.7
95.01431	1.2
95.83016	0.5
97.77493	0.4
98.19790	1.1
99.00892	1.4
101.02444	10.3
105.39590	0.5
108.02148	0.7
112.98876	0.5
113.02441	4.8
125.02423	0.5
130.45520	0.5
135.04553	1.5
137.02473	0.8
143.05037	0.5
149.00981	0.9
149.02582	0.6
159.03023	1.0
161.04558	4.2
163.03998	0.9
179.03503	1.1
210.07782	1.4
225.14966	0.7
269.10266	12.1
269.12982	0.6
269.98569	0.5
295.10693	0.5
311.11377	7.2
312.12036	1.0
327.08859	1.7
387.20291	7.1
388.20795	0.6
397.64722	0.5
738.63141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39587	0.5
57.58022	0.6
58.00588	1.0
58.73661	0.7
59.01381	36.3
61.98824	0.9
65.63462	0.5
69.03446	1.0
69.28281	4.2
69.28706	1.7
69.80037	0.5
71.01383	13.1
72.99306	1.0
73.02533	1.1
73.02950	21.4
76.07705	0.5
83.01383	5.0
85.02955	2.4
89.02439	3.3
95.01368	1.2
97.02995	0.6
98.20617	1.4
101.02444	16.0
101.03085	1.2
113.02454	6.9
119.03514	2.6
119.20448	0.6
121.05235	0.5
125.02405	0.9
131.03481	1.4
143.03487	1.3
143.86438	0.6
149.04544	2.5
150.06862	0.6
161.04553	5.8
175.74242	0.5
203.05617	1.5
214.12334	1.2
221.06679	4.3
221.09947	0.6
242.10721	1.3
243.21089	1.4
256.18088	0.7
257.12894	6.2
258.13110	0.8
271.20645	4.3
272.20999	1.0
287.23755	0.6
289.21735	65.8
290.22064	9.3
301.11899	7.9
303.23361	2.0
309.20554	0.7
313.21588	1.0
315.19656	25.9
316.20026	3.9
331.23053	0.5
333.20703	100.0
334.21072	12.3
357.20639	0.8
372.57779	0.6
375.21725	10.3
376.22116	1.2
379.76578	0.7
425.02817	0.7
477.24902	2.0
478.25525	0.6
495.26019	9.9
495.36960	0.9
496.26129	1.2
537.27032	57.4
538.27368	11.4
538.35565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.3
61.98835	9.0
68.99813	1.0
70.06056	0.6
70.60232	1.9
71.01385	9.1
72.60503	0.6
72.99290	2.3
73.02944	3.8
79.90993	0.6
83.01365	1.5
84.99313	1.6
85.02954	4.6
87.00879	13.5
89.02437	2.8
93.03481	0.6
95.01398	0.6
96.96033	1.4
99.00892	1.0
99.04527	0.7
101.02440	5.8
103.00358	1.1
107.05002	0.9
108.02177	1.0
109.02950	4.6
110.48782	0.7
111.00904	0.6
112.98814	16.0
113.02450	3.5
114.60331	0.6
117.03442	0.8
119.03448	1.0
119.05042	1.2
121.02951	1.1
123.04578	1.5
125.02436	1.4
127.00390	4.3
127.07638	1.0
129.01849	0.7
130.99840	2.5
133.02963	6.7
134.03777	4.2
135.04527	51.1
136.04852	2.6
137.02440	5.3
139.00385	3.3
139.01311	0.6
139.04022	0.6
145.02954	1.2
147.04497	1.2
149.00905	2.1
149.06088	1.6
150.03175	0.6
150.06769	0.8
151.03917	0.9
152.01134	0.8
159.04509	0.9
161.02428	14.6
161.04527	1.1
162.02698	0.6
163.03998	7.8
163.07773	0.7
165.05600	0.8
167.03456	0.9
171.06586	2.3
173.02425	1.0
175.03909	0.9
177.01955	1.0
177.05544	1.3
179.03502	30.7
180.03772	1.5
191.03470	4.0
192.03897	0.6
203.03433	1.1
205.05084	1.1
209.08195	1.2
219.02982	17.9
220.03413	1.3
221.04677	0.9
231.02962	3.2
241.10023	1.0
257.12936	4.6
269.21277	1.4
275.01846	1.5
287.22275	15.9
288.22644	1.8
293.03049	34.5
294.03421	2.1
301.11758	3.9
327.09073	0.9
431.26480	4.2
449.27536	100.0
450.27890	14.0
459.12689	0.6
473.27682	1.9
563.27118	1.1
581.28125	32.3
582.28375	6.4
611.30994	2.2
652.89368	0.7
744.31396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.3
61.98835	9.0
68.99813	1.0
70.06056	0.6
70.60232	1.9
71.01385	9.1
72.60503	0.6
72.99290	2.3
73.02944	3.8
79.90993	0.6
83.01365	1.5
84.99313	1.6
85.02954	4.6
87.00879	13.5
89.02437	2.8
93.03481	0.6
95.01398	0.6
96.96033	1.4
99.00892	1.0
99.04527	0.7
101.02440	5.8
103.00358	1.1
107.05002	0.9
108.02177	1.0
109.02950	4.6
110.48782	0.7
111.00904	0.6
112.98814	16.0
113.02450	3.5
114.60331	0.6
117.03442	0.8
119.03448	1.0
119.05042	1.2
121.02951	1.1
123.04578	1.5
125.02436	1.4
127.00390	4.3
127.07638	1.0
129.01849	0.7
130.99840	2.5
133.02963	6.7
134.03777	4.2
135.04527	51.1
136.04852	2.6
137.02440	5.3
139.00385	3.3
139.01311	0.6
139.04022	0.6
145.02954	1.2
147.04497	1.2
149.00905	2.1
149.06088	1.6
150.03175	0.6
150.06769	0.8
151.03917	0.9
152.01134	0.8
159.04509	0.9
161.02428	14.6
161.04527	1.1
162.02698	0.6
163.03998	7.8
163.07773	0.7
165.05600	0.8
167.03456	0.9
171.06586	2.3
173.02425	1.0
175.03909	0.9
177.01955	1.0
177.05544	1.3
179.03502	30.7
180.03772	1.5
191.03470	4.0
192.03897	0.6
203.03433	1.1
205.05084	1.1
209.08195	1.2
219.02982	17.9
220.03413	1.3
221.04677	0.9
231.02962	3.2
241.10023	1.0
257.12936	4.6
269.21277	1.4
275.01846	1.5
287.22275	15.9
288.22644	1.8
293.03049	34.5
294.03421	2.1
301.11758	3.9
327.09073	0.9
431.26480	4.2
449.27536	100.0
450.27890	14.0
459.12689	0.6
473.27682	1.9
563.27118	1.1
581.28125	32.3
582.28375	6.4
611.30994	2.2
652.89368	0.7
744.31396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41022	0.3
59.01099	0.5
59.01380	8.0
61.98835	2.4
65.03967	0.4
67.01894	0.4
69.42550	1.3
69.42979	1.8
69.68602	0.3
71.01373	1.4
72.99329	0.4
73.02946	0.5
75.43047	0.3
79.05530	0.5
84.78179	0.3
85.02965	0.7
87.00888	0.5
88.98818	0.4
89.02444	0.4
94.99385	0.3
95.05013	0.8
96.07769	0.3
101.02435	0.8
101.06082	0.5
103.00344	0.7
106.06624	0.5
107.03782	0.4
109.02972	0.4
112.98806	1.2
113.02435	1.0
119.05013	0.5
120.04572	3.3
121.02984	0.7
121.05318	2.0
122.06127	5.3
125.02436	0.4
134.03818	0.4
134.06123	3.0
135.04546	0.8
135.06877	1.0
136.07690	11.4
137.08026	0.6
146.06136	0.4
147.04579	0.4
148.07663	0.5
149.00916	0.5
149.06023	0.9
150.06870	2.6
158.02562	0.5
161.02521	0.4
161.07213	1.0
162.05542	0.4
163.04106	0.4
163.07698	0.7
171.10329	0.6
171.11786	2.4
172.21509	0.4
175.04031	0.4
179.03456	1.0
179.10780	0.9
186.09233	0.8
190.05116	1.0
198.09286	1.8
198.10793	0.4
199.10057	1.7
203.13567	0.3
214.07408	0.6
214.12369	10.3
215.12708	1.1
227.08292	2.2
228.08844	0.8
229.09912	3.9
230.09975	0.4
230.11913	3.8
241.09795	7.7
242.10594	15.4
243.10902	1.2
257.12952	82.5
258.10669	0.6
258.13248	6.8
279.11749	0.4
283.10840	0.5
300.11053	0.4
301.11932	100.0
302.12244	9.2
329.12982	0.4
337.12021	1.2
397.13998	4.8
398.14761	0.7
438.45758	0.4
477.35721	0.6
494.36285	0.6
495.29779	0.7
495.36581	3.8
595.22510	0.6
639.41229	0.5
699.26917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	3.5
59.01380	91.0
60.01712	0.8
67.92194	0.8
71.98096	0.7
72.99303	5.4
87.00872	30.6
88.01216	0.9
88.98817	1.1
96.96067	0.8
103.00372	59.6
103.05544	1.3
112.98824	5.1
119.05001	1.4
130.99860	54.1
132.00185	1.2
135.04510	1.1
144.44847	0.7
147.04523	100.0
148.04855	6.0
149.00987	1.2
150.21687	0.7
158.50781	0.7
186.14639	0.9
212.57283	0.7
212.73390	0.8
255.02844	0.9
271.02487	1.7
279.05090	71.4
280.05429	6.2
300.02682	3.8
301.03494	1.4
362.16608	1.0
463.09015	2.1
464.09546	1.0
731.56494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
60.99310	0.6
61.03398	0.4
61.98830	100.0
63.76283	0.4
71.01371	0.6
74.69017	0.4
76.57204	0.4
78.95932	0.5
82.04707	0.4
87.00882	0.8
88.00389	0.5
88.98827	4.0
89.02461	0.6
98.17336	0.4
98.20646	1.0
106.96913	0.4
110.70010	0.5
159.16858	0.4
161.04573	0.4
163.11317	0.5
166.22531	0.4
169.30588	0.4
201.11349	4.5
202.11700	0.8
209.11829	7.6
210.12206	2.9
215.10474	0.6
227.12955	0.8
228.13257	0.6
229.16124	0.5
235.08292	0.6
247.53741	0.4
253.09393	1.6
277.21695	5.7
278.22067	3.7
279.22073	0.5
519.43439	0.5
583.58344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98830	100.0
66.60359	0.2
71.01388	0.9
89.02478	0.3
98.20633	0.5
101.02450	0.4
106.36951	0.2
112.04211	0.2
113.02467	0.3
127.11245	0.2
154.97406	0.2
171.10329	0.3
201.11317	2.5
202.11703	0.7
209.11859	3.5
210.12225	1.7
227.12921	0.7
228.13275	0.3
235.08270	0.8
253.09436	0.7
254.09550	0.3
277.21695	6.2
278.22034	4.1
279.22534	0.4
511.82785	0.3
742.46893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90841	1.6
57.03452	5.4
58.51464	1.6
59.01380	100.0
60.01722	1.7
60.99304	2.8
61.98825	14.3
69.03456	2.3
71.01379	23.7
71.05024	3.2
71.30792	3.6
72.99303	3.1
73.02957	9.5
75.00873	2.6
83.01380	5.3
85.02962	14.7
87.00887	8.3
87.04507	14.9
88.98806	8.0
89.02458	6.4
92.42886	1.5
95.01405	3.0
96.96028	2.4
97.02957	1.9
97.06656	1.4
99.00901	2.9
101.02438	12.2
108.02158	1.9
109.02949	2.0
111.00895	2.1
112.98835	10.8
113.02477	10.5
119.05036	4.7
121.02965	3.4
123.04539	2.2
125.02477	2.1
133.02957	2.7
134.03755	2.4
134.38789	1.5
135.04541	6.9
137.02489	2.4
138.64680	1.8
143.03520	3.0
145.02940	1.8
147.04434	1.8
149.00940	4.5
149.06117	3.1
150.05473	1.6
150.06860	3.5
152.01126	2.9
159.04506	1.6
159.10280	11.9
161.02498	2.9
161.04591	4.1
163.04016	4.9
163.07683	5.7
165.05608	2.9
165.12869	2.2
167.03522	2.7
169.12361	2.2
171.10176	1.9
177.01895	1.8
179.03537	4.7
183.13853	2.1
193.05132	3.0
194.06001	2.1
201.14937	7.5
203.03386	1.6
209.11882	3.2
211.13405	2.8
216.41473	1.6
225.11342	1.7
227.12822	2.3
277.03476	1.7
289.21591	1.9
291.23318	4.4
369.13531	2.8
493.35059	5.3
549.38153	2.2
609.31854	2.3
637.43250	47.4
638.43713	10.5
655.44513	13.2
656.44513	3.7
697.45825	14.4
698.46112	2.8
741.36926	3.2
758.37903	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	741.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47295	3.7
57.37554	3.8
59.01380	81.5
61.98822	20.8
65.32445	3.5
71.01379	13.9
71.61729	4.0
73.02950	16.2
78.95922	4.4
80.05061	6.5
85.02958	6.6
95.42262	3.4
101.02443	9.8
106.06622	6.1
108.39732	3.7
112.98802	7.3
113.02463	4.2
118.06289	3.2
119.05025	5.5
122.06124	28.6
123.04533	4.0
133.02924	4.4
134.06114	14.4
134.67813	3.3
138.86400	3.6
140.38319	4.1
141.28749	3.7
149.00946	8.1
152.07176	34.0
152.99568	3.7
160.06421	5.1
163.07680	6.9
175.07706	3.5
213.10315	30.9
239.11900	17.0
241.13506	13.4
245.12988	4.2
265.09839	5.4
277.21625	4.3
285.04388	3.9
285.12463	60.2
286.12650	4.9
289.18103	4.5
291.19528	5.1
293.09637	4.9
293.12897	10.2
295.10730	5.2
298.92081	3.7
325.12247	5.6
340.14334	5.4
355.12970	4.8
357.14514	5.6
358.15649	16.6
400.16599	15.2
505.25296	5.0
523.23267	7.8
565.24396	48.7
566.24780	12.5
591.22125	8.3
609.23499	100.0
610.24023	18.4
633.23389	21.4
634.23505	6.6
637.42712	8.9
641.25958	47.3
642.26611	15.1
653.38837	4.1
689.07520	3.8
697.38867	12.7
756.76105	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	741.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
57.03444	0.7
59.01096	0.9
59.01381	15.3
61.98814	2.0
68.99823	0.6
70.93349	1.2
71.00988	0.9
71.01382	17.8
72.99300	0.7
73.02953	4.6
75.00852	0.6
83.01402	1.5
83.05032	0.9
85.02953	7.0
87.00855	1.9
89.02445	8.2
95.01366	1.5
97.02944	0.7
99.00883	6.8
101.02438	8.7
107.05018	2.5
108.02170	0.6
108.04565	2.9
109.02953	1.3
109.04880	0.6
112.98796	2.0
113.02441	8.7
116.92850	0.9
117.03459	13.4
119.03493	1.9
121.02924	1.4
123.04511	1.0
123.08170	9.8
124.01568	0.6
125.02451	0.9
131.03465	1.2
131.05019	1.4
133.06610	2.8
134.03723	0.8
135.04501	6.0
137.09694	1.4
143.03450	0.7
147.04524	0.8
149.00923	3.2
149.04520	1.9
149.06055	2.4
150.03171	0.8
151.04031	0.8
152.03557	4.9
153.01965	1.1
153.03831	0.9
153.05522	0.7
158.03749	0.8
159.03159	1.0
159.04492	9.0
161.02469	1.0
161.04544	3.4
163.11276	9.5
165.05496	0.8
169.02557	1.0
175.03870	0.7
177.05569	5.0
179.03481	9.3
179.05524	1.5
186.46301	0.5
189.04407	0.6
189.12851	5.8
191.05589	1.1
195.06587	0.6
197.04507	0.7
203.03496	12.5
204.03748	0.6
207.13895	6.4
221.04567	3.7
222.04861	0.7
227.07019	0.7
239.05617	1.3
241.04947	0.7
261.05518	1.2
343.12939	3.0
343.20850	0.8
384.62744	0.6
386.69528	0.6
387.20380	1.5
409.49036	0.5
468.16339	0.6
519.24451	100.0
520.24780	16.7
543.59583	0.6
697.27374	0.7
741.29980	4.4
742.30536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	39.3
61.98841	26.1
69.73640	15.6
71.01384	30.0
72.99297	4.4
73.02947	5.7
78.95905	28.2
83.88909	2.0
85.02949	6.7
85.21271	2.3
87.00883	6.8
89.02441	22.1
94.49348	2.2
95.63685	2.2
97.02968	3.2
101.02450	26.1
113.02438	10.2
119.03503	6.7
125.02426	7.7
129.72301	2.4
130.47449	2.5
135.85782	2.3
139.62549	2.9
143.03525	4.4
152.99631	17.6
161.04582	6.6
171.10182	2.9
179.05591	5.5
201.11317	2.7
225.11284	2.7
235.08287	10.2
253.09366	4.0
253.21777	13.1
277.21753	32.3
278.22058	4.2
279.23199	9.1
280.23706	2.9
283.26447	79.5
284.26733	7.8
287.07758	2.8
293.20911	4.2
295.22806	20.5
397.13501	100.0
398.13901	7.1
415.14636	30.5
416.15030	3.4
505.25586	31.6
506.26065	4.9
623.51953	2.9
681.40509	4.1
739.56360	2.5
741.45026	15.7
742.45660	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	741.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
61.98832	13.4
63.99241	0.7
71.01368	0.4
71.16772	0.8
75.00851	0.5
77.03973	2.7
78.72259	0.3
78.95899	0.5
117.94824	0.3
121.02956	100.0
122.03296	3.0
137.02509	0.5
165.01927	73.6
166.02267	3.2
180.05772	0.5
181.05215	0.3
181.06612	2.2
191.03474	1.2
197.06084	0.4
209.04073	0.3
209.11844	1.2
210.12184	0.7
211.13515	0.4
213.11263	0.4
225.05573	1.5
275.19992	0.5
277.21701	0.9
293.21201	1.0
294.21609	0.5
313.07040	1.6
357.06149	10.1
358.06616	1.3
425.97354	0.4
505.26044	0.5
741.14545	4.2
742.15070	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20120	0.7
59.01377	5.9
61.98832	1.7
69.03465	0.7
71.01388	5.6
71.16612	1.0
71.16930	0.9
73.02955	1.1
83.01402	0.8
85.02962	3.4
87.00883	1.8
89.02454	1.6
93.03461	1.3
95.01383	1.4
96.96024	2.6
101.02434	2.3
107.05017	1.3
108.02177	54.5
109.02970	22.1
110.03357	0.7
113.02467	1.8
117.03523	1.0
119.03537	1.2
119.05035	3.5
121.02950	2.1
123.00867	3.2
123.04525	3.1
124.01695	1.9
125.02417	2.1
128.03458	0.7
132.02121	1.6
133.02948	4.9
134.03729	1.4
135.04526	30.5
136.04936	1.1
137.02397	1.6
138.00539	0.8
145.02922	0.8
147.04526	1.0
149.00908	2.7
149.02411	1.1
149.06107	0.9
149.99571	1.7
151.04015	4.3
152.01149	100.0
153.01892	7.6
153.05632	0.9
161.02460	8.9
161.04521	1.4
161.06090	0.7
163.04022	5.7
164.07245	1.2
165.05589	0.9
166.02606	1.1
168.00598	3.3
175.02501	0.9
175.03926	1.6
177.01923	1.4
177.05531	1.2
179.03424	5.4
181.05069	1.4
190.64171	0.7
193.05078	1.0
203.03531	1.0
206.08252	2.1
207.02890	0.7
219.03014	0.8
221.04501	0.9
221.48405	0.6
241.07172	5.0
284.03204	1.0
285.03809	6.2
285.06644	0.7
300.02676	1.1
315.46423	0.9
341.08664	1.0
369.08026	0.8
399.09195	7.7
417.10361	76.5
418.10709	6.8
447.09009	3.4
507.25049	0.8
535.14203	1.0
579.13336	9.0
579.21118	2.9
580.13611	1.4
621.14783	1.3
650.09094	0.8
678.19019	0.9
741.18738	51.1
742.19067	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	740.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
61.98830	100.0
62.98527	0.2
71.01373	0.2
89.02477	0.2
101.02435	0.1
101.83804	0.1
107.62757	0.1
113.02486	0.1
183.13774	0.1
209.11734	0.1
218.89177	0.1
229.90468	0.1
279.23373	0.2
280.23779	0.3
281.23950	0.2
293.21408	0.1
397.13593	0.2
398.13760	0.2
399.14194	0.3
400.14499	0.2
417.15182	0.1
740.43420	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98831	100.0
62.05933	0.1
62.98532	0.2
83.05028	0.1
85.02940	0.1
87.00900	0.1
98.19843	0.1
103.91894	0.1
112.98835	0.1
119.05012	0.1
135.04543	0.2
138.52930	0.1
145.02962	0.1
149.00960	0.1
226.16444	0.1
229.24969	0.1
261.84250	0.1
262.88968	0.1
280.90921	0.1
296.46951	0.1
478.45126	0.1
679.50208	0.1
680.50989	0.5
740.49261	1.2
741.49634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21532	0.8
57.03426	2.4
59.01388	16.0
61.98828	7.5
71.01381	16.0
71.05014	3.4
73.02946	2.1
76.23717	0.8
78.41451	0.9
78.95893	1.1
83.01369	1.7
83.05043	0.9
85.02950	2.4
87.00872	2.5
88.98798	3.3
89.02444	8.3
95.05003	1.6
97.02962	4.8
97.06577	3.4
98.19866	2.9
99.00885	19.1
101.02451	7.0
105.34036	1.0
109.06564	3.4
111.00811	1.0
113.02433	3.8
119.03465	1.3
123.08137	1.3
125.02427	0.9
125.09709	8.8
127.11333	1.5
135.08099	1.1
143.03488	1.7
145.10095	0.9
153.12656	0.8
155.10762	1.3
161.04486	2.4
163.10013	1.2
163.11293	12.9
171.08969	1.6
171.10278	20.4
172.10568	1.1
181.12341	20.0
182.12674	1.4
189.09102	1.4
197.11703	1.3
199.13383	15.3
200.13754	1.2
201.11310	7.8
207.10263	35.7
208.10542	1.7
209.11760	2.1
215.12831	1.6
223.09613	1.0
225.11317	62.2
226.11583	4.7
235.08176	3.2
243.12360	26.6
244.12712	2.0
253.09268	8.4
254.09528	1.0
277.21719	58.9
278.22052	7.7
279.23157	1.8
281.24771	9.3
293.21146	1.6
397.13623	9.5
415.14606	3.0
443.18954	1.3
451.20743	1.0
461.20139	5.3
479.21362	12.8
480.21686	1.7
698.77692	1.1
705.80499	1.2
721.41498	1.9
739.42670	100.0
740.43054	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98835	100.0
62.98544	0.2
71.01407	0.1
78.95963	0.1
91.73338	0.1
129.53342	0.1
138.94601	0.1
152.99652	0.1
161.04507	0.1
170.38737	0.1
206.51826	0.1
311.59250	0.1
326.34625	0.1
398.13910	0.1
471.72385	0.1
505.25934	0.1
765.62622	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	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.8
58.00596	0.7
59.01381	10.4
61.89361	0.8
61.98520	1.0
61.98833	20.1
64.81000	0.7
64.92001	0.7
69.03448	1.6
69.41331	4.4
69.41754	1.4
71.01376	9.3
71.05010	2.2
72.13635	0.7
72.99318	1.3
73.02931	2.3
78.95892	1.6
80.75653	0.7
81.03438	0.7
83.01402	0.8
83.05019	1.0
85.02935	2.2
87.00832	1.3
89.02454	4.4
95.01368	0.9
97.02971	4.6
97.06577	2.0
98.20776	0.7
99.00891	13.2
101.02446	4.5
109.06574	1.4
113.02449	2.8
119.03506	0.9
123.08195	1.5
125.09723	5.2
127.11262	1.0
136.05283	1.1
142.02695	1.1
152.99596	0.8
153.12755	1.0
161.04527	1.5
161.09808	0.8
163.11287	7.7
171.10271	7.4
179.10831	0.9
181.12357	17.5
182.12671	1.2
189.09035	0.8
197.11761	1.9
199.13403	24.5
200.13652	1.5
201.11290	3.7
202.11821	0.8
207.10274	39.6
208.10574	2.0
209.11784	1.3
225.11317	66.3
226.11719	4.5
235.08147	2.0
243.10034	1.1
243.12355	12.4
244.12741	1.0
253.09319	5.4
277.21719	53.4
278.22110	7.4
279.22897	1.0
280.23630	0.7
293.21088	1.2
443.19315	0.8
461.20291	10.7
462.20657	0.8
479.21317	2.8
524.54840	0.8
619.32544	0.9
721.41931	5.3
722.42267	2.1
739.42688	100.0
740.43073	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	739.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01380	10.9
61.98831	100.0
67.99081	0.6
71.01389	5.0
73.02966	1.0
74.40186	0.6
78.95930	0.9
83.01411	1.0
85.02966	1.2
87.00893	2.6
88.00433	0.6
89.02438	2.9
96.63005	0.6
97.06597	0.7
101.02440	4.0
111.08153	0.8
113.02456	2.0
119.03454	0.8
125.02519	0.8
161.04565	1.2
165.12813	4.0
171.10283	1.7
179.05641	1.4
179.14388	0.7
183.13892	46.9
184.14209	2.3
193.73933	0.6
195.13847	2.9
199.13460	1.0
209.11844	4.5
211.13391	1.8
223.13428	2.0
225.11288	0.7
227.12807	4.9
229.55574	0.8
235.08263	2.1
253.09184	4.7
262.78607	0.7
275.20123	2.5
277.21585	1.0
279.23318	3.1
280.23666	2.0
293.21219	23.8
294.21588	2.3
295.22571	1.0
397.13339	1.2
398.13721	0.9
399.13995	1.8
415.14838	1.1
417.52893	0.7
445.20575	1.9
463.21835	2.2
537.30627	0.6
739.42657	46.5
740.43268	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	739.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68975	1.3
59.01384	32.7
61.98827	12.2
65.00330	1.9
71.01381	3.0
71.62215	2.0
78.95900	2.0
83.01385	2.1
84.17998	1.2
84.73203	1.3
87.00830	1.5
88.98811	4.2
89.02412	2.9
101.02452	2.0
107.01381	3.6
112.98843	2.0
121.02969	3.0
138.02686	1.8
151.00385	9.1
163.00394	2.6
178.99860	6.4
187.04057	1.5
209.11842	18.5
211.03992	2.0
211.13406	2.0
216.04129	1.5
226.02672	5.4
227.03424	5.7
227.12871	2.0
243.02986	21.4
244.03262	1.6
253.09280	3.7
254.02162	6.3
255.02997	19.1
270.05496	1.4
271.02487	100.0
272.02902	10.3
275.20441	1.8
279.23376	7.0
280.23639	3.1
283.02652	2.2
293.21265	13.8
299.01993	8.8
300.02762	84.8
301.03491	38.3
302.03970	4.0
396.56775	1.8
453.51462	1.5
463.08835	2.5
739.29742	90.7
740.30133	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55444	0.9
55.01873	0.9
57.03438	1.2
59.01385	8.5
61.98817	3.7
67.42001	0.9
71.01386	7.1
71.05017	2.1
71.11134	1.3
71.11473	1.0
71.87100	0.9
73.02930	1.5
76.68964	0.9
83.01402	1.0
87.00869	3.2
89.02441	3.6
89.98676	0.8
91.05051	0.8
97.02943	4.1
97.06565	2.6
99.00874	13.3
101.02443	3.1
107.13709	0.9
109.06590	1.7
109.97801	0.8
113.02455	1.2
120.33351	0.9
125.09698	5.0
137.28580	1.1
161.04587	1.4
163.11317	7.5
164.11554	1.0
171.10262	5.0
181.12346	10.9
197.11847	1.4
199.13406	12.0
200.13782	1.0
201.11261	1.6
207.10265	28.1
208.10561	1.8
225.11311	47.2
226.11670	3.9
235.08203	3.1
243.12349	8.5
253.09279	4.4
277.21710	74.6
278.22021	8.1
293.21240	1.2
443.18927	1.2
461.20215	5.0
479.21127	1.4
721.40887	4.9
739.42676	100.0
740.43085	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	739.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
59.01382	13.1
61.98828	3.0
67.21149	0.7
71.01389	8.3
72.99319	2.0
73.02586	0.7
73.02936	4.5
83.01380	1.9
85.02952	2.7
87.00883	4.1
89.02435	2.8
93.03468	2.2
95.01379	1.1
96.96024	1.7
99.00880	6.5
99.04514	1.0
101.02438	3.8
108.02225	0.9
109.02957	1.2
111.00869	0.9
112.98807	2.2
113.02438	6.2
114.93362	1.0
119.05042	4.5
121.02989	3.6
122.03708	1.6
123.00867	0.8
123.04572	1.6
124.01662	1.4
125.02435	2.6
130.99832	0.9
134.03726	2.4
135.04544	8.4
136.05278	1.1
137.02460	2.4
137.58418	0.7
145.02928	0.9
147.04512	1.3
149.00902	3.2
149.02435	2.4
150.03226	5.6
151.00371	2.5
151.03871	0.9
153.05574	0.8
158.03722	1.3
159.04517	10.8
160.04037	4.5
160.05286	28.4
161.02435	2.2
161.04527	1.7
161.06039	9.0
163.04025	11.9
164.04776	6.2
165.05444	1.4
173.06075	3.3
175.04053	1.4
175.07642	25.6
176.04813	1.3
176.07993	2.4
177.05534	7.3
178.06354	7.3
179.03529	4.6
192.07887	1.0
193.01312	1.0
193.05096	1.5
193.07056	0.7
193.08662	4.0
229.39313	1.0
293.03006	1.7
306.18750	0.9
315.12418	2.8
329.13931	100.0
330.14194	11.3
359.14987	12.3
360.15323	1.4
427.39294	0.8
445.17026	1.0
491.12131	0.9
563.21448	1.2
635.23560	5.6
636.23767	1.2
653.24445	18.6
654.24841	2.9
695.25494	28.3
696.25995	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	737.5182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84291	0.2
58.02977	0.2
59.01382	13.5
60.01701	0.2
60.07297	0.2
61.98816	0.3
72.99333	0.2
81.03461	4.8
81.49576	0.2
83.05027	12.9
84.05373	0.5
87.00896	0.5
93.03440	0.3
96.52567	0.2
103.00407	0.3
107.06139	0.2
108.04565	0.5
112.98811	0.4
119.05026	0.8
125.07192	1.1
126.05576	0.4
134.03752	0.2
135.04518	0.6
137.02417	0.2
143.08308	0.3
149.00903	1.1
152.01233	0.3
163.04068	0.5
177.55275	0.2
179.03505	0.4
193.05008	0.2
196.15218	0.2
207.15044	1.1
224.17693	1.9
225.16064	11.3
226.16364	0.9
242.18719	0.6
269.08087	0.2
291.20535	0.3
309.21857	0.7
324.26715	0.4
327.08707	0.4
333.22903	0.5
341.29367	0.4
361.48340	0.2
367.27020	1.1
385.28223	0.3
407.16812	0.2
433.31827	1.2
434.30295	0.2
450.34430	1.1
451.26511	0.5
451.32895	7.1
452.33472	1.5
460.30505	0.2
550.43347	0.7
559.39899	0.4
565.44507	0.5
567.45502	0.3
593.43701	0.6
659.48755	1.6
660.48865	0.6
677.49689	100.0
678.50006	26.4
678.62152	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82990	0.1
59.01375	0.2
61.98831	100.0
62.98549	0.2
71.01379	0.1
85.18285	0.1
89.02459	0.2
98.19922	0.2
101.02481	0.1
104.60733	0.1
183.51915	0.1
184.07097	0.1
257.83893	0.1
277.21729	0.1
278.22055	0.1
279.22577	0.1
313.88354	0.1
369.22968	0.1
374.68570	0.1
397.13571	0.1
398.13937	0.1
399.14258	0.2
430.58511	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	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49044	0.1
59.01379	0.2
59.58732	0.2
61.98833	100.0
70.93030	0.3
82.09207	0.1
106.83060	0.2
139.83125	0.2
146.70477	0.2
256.14313	0.2
375.30453	0.2
404.94672	0.2
553.82855	0.2
672.15039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	51.2
58.03788	1.4
59.01379	26.3
61.98818	3.7
68.99829	2.1
69.03442	3.2
69.41554	7.8
71.01379	9.9
72.99303	5.4
73.02927	5.5
75.00881	1.6
81.03452	1.8
83.01386	32.4
84.99288	2.9
85.02947	4.5
87.00880	14.1
89.02424	3.2
93.03451	1.9
95.01424	1.7
96.96017	1.6
97.02958	14.0
97.06602	1.3
98.20577	2.1
99.00896	3.0
99.04522	50.2
101.02448	20.9
103.00358	2.6
108.02182	1.4
109.63392	1.3
111.00845	1.5
112.98811	41.7
113.02465	7.7
119.05016	3.0
121.02963	3.1
123.04508	3.0
125.02448	100.0
126.02779	4.4
127.00368	2.0
133.02940	4.1
134.03749	18.4
135.04552	10.4
136.56673	1.2
137.02438	5.2
139.04010	3.7
143.03499	8.1
145.02913	2.1
149.00893	3.9
149.02457	1.9
149.06097	8.1
150.03212	2.2
151.00365	2.3
151.03986	1.8
159.03259	1.4
159.04527	3.6
160.01672	6.8
160.05254	5.1
160.91118	1.3
161.02397	5.0
161.04527	7.3
161.05962	2.3
162.03246	7.0
163.03995	4.6
164.04802	1.6
167.03528	3.5
173.00926	1.1
175.04010	9.4
175.07660	4.1
176.04805	1.6
176.24248	1.2
177.02010	1.2
177.05548	4.3
178.02637	3.8
178.06372	1.9
179.03458	5.1
185.04527	4.8
190.02669	4.3
193.05035	11.4
202.02716	1.6
202.27544	1.1
203.05577	4.4
205.04991	4.8
218.02411	1.4
230.02229	1.7
233.04538	18.4
234.04951	1.5
235.05893	1.6
243.08696	3.7
245.04454	2.6
245.06668	7.9
289.03592	2.2
307.04578	39.8
308.04886	3.4
315.12701	1.2
329.09061	8.0
329.13861	15.3
330.14218	2.2
339.08386	1.2
341.09082	1.6
359.15073	3.0
369.11963	2.9
371.09760	8.4
373.13953	1.7
383.19037	1.4
413.10797	3.7
431.11896	20.6
432.12344	2.4
545.11365	1.5
635.22357	2.0
653.24597	3.6
695.25397	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	737.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.06931	0.3
60.01715	1.3
61.98838	4.2
65.71265	0.4
66.85025	0.4
69.03471	0.4
69.60728	0.4
71.01382	9.1
71.62446	0.5
72.99325	1.1
73.02953	7.0
73.50160	0.4
83.01388	2.7
85.02964	1.7
87.00902	1.1
89.02431	2.6
94.98122	0.4
95.01322	0.4
99.00886	0.8
101.02441	10.5
102.02793	0.5
112.98804	2.8
113.02454	4.9
119.03544	1.4
121.02902	0.7
125.02460	0.8
129.46706	0.4
131.03506	1.4
137.02412	0.4
137.78889	0.5
143.03481	1.2
146.03723	1.9
149.04556	2.3
156.05971	0.4
161.04605	3.4
161.05937	0.7
164.04845	1.0
179.05695	0.6
179.07106	3.7
180.07635	0.6
187.07811	0.4
189.09303	0.5
199.04024	1.2
200.04764	0.6
207.10339	0.5
209.11855	0.7
215.07106	0.6
221.06691	1.1
225.11342	0.6
227.03070	0.5
243.06694	1.5
277.03473	0.4
279.23325	1.2
295.06076	0.6
338.11639	0.7
353.13873	2.0
437.34219	6.6
438.34546	1.2
564.73712	0.4
599.39752	1.4
613.29755	0.7
617.40607	1.9
618.41095	0.5
633.41284	1.2
659.42285	1.1
670.36670	0.5
677.42639	1.5
693.42291	1.2
737.45270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87774	0.6
59.01364	1.8
59.79667	0.6
61.98818	1.0
63.96226	1.5
68.09846	0.6
71.01389	7.4
73.02936	1.7
73.93600	0.7
78.95907	3.6
78.98592	6.2
79.95740	10.2
80.96517	68.5
81.03469	0.9
82.96097	1.2
85.02957	2.9
87.00864	2.5
94.98093	17.2
96.96019	1.6
97.02975	2.1
98.20586	1.3
100.95216	0.7
101.02438	1.6
106.98081	3.1
110.98517	0.9
115.63378	0.7
122.97585	5.7
125.02433	2.2
134.97597	4.8
136.99104	1.3
148.99127	5.8
152.98610	5.0
152.99690	1.0
164.98621	11.6
171.10229	2.0
206.99623	2.5
225.00708	16.1
226.01041	0.9
277.21661	5.1
278.21933	0.8
279.23346	7.7
283.26352	1.6
289.89258	0.7
293.21152	1.0
309.20679	1.7
411.48666	0.8
453.14340	3.1
550.07214	0.8
565.30627	1.3
737.41425	100.0
738.41486	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	737.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98838	0.8
63.96231	1.9
71.01383	8.6
71.24445	1.0
73.02943	1.7
78.95891	0.6
78.98595	6.5
79.95271	0.6
79.95741	14.4
80.96519	80.3
81.03454	0.9
83.01412	0.6
85.02943	2.9
87.00866	2.6
94.98088	18.1
95.01395	0.6
96.95993	1.6
97.02945	1.3
101.02436	2.5
106.98085	3.7
120.65060	0.5
122.97590	4.3
125.02448	3.8
127.04005	0.9
134.97581	5.0
136.99139	1.4
148.99155	5.6
152.98643	7.3
164.97285	0.7
164.98636	13.3
171.10271	2.4
188.98676	0.5
206.99606	3.2
219.04677	0.6
220.39697	0.5
225.00725	20.8
277.21600	0.7
279.23123	0.6
283.26263	1.5
311.16962	0.6
376.00818	0.5
453.14465	3.7
453.25989	0.5
565.30341	1.1
737.41473	100.0
738.41809	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03444	0.9
59.01381	8.0
61.98830	25.5
69.03457	3.9
71.01379	6.4
71.05027	1.1
72.99325	0.5
73.02937	1.2
85.02945	1.9
87.00861	1.5
88.98807	0.5
89.02428	3.7
97.02956	1.1
97.06602	1.2
101.02438	4.7
111.00867	0.5
113.02442	3.2
119.03514	1.1
123.08150	1.1
125.09673	1.6
145.05103	0.7
151.11273	2.7
152.99519	0.6
153.12857	1.3
161.04538	1.2
161.09729	3.6
169.12329	10.0
170.12776	0.6
179.10768	7.1
197.11824	54.3
198.12160	3.1
205.08633	0.7
223.09727	2.1
235.08246	0.7
241.10773	2.2
253.09303	3.7
271.02249	0.7
277.21716	59.9
278.22034	7.6
279.23199	2.4
292.49753	0.5
300.02762	1.1
308.91748	0.5
315.04974	1.1
317.75299	0.5
327.05142	0.6
459.18713	1.2
477.19623	1.1
737.41138	100.0
738.41376	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
61.98839	8.4
70.63658	2.3
71.01405	1.3
81.60399	0.6
83.01398	0.9
100.40119	0.6
101.02437	1.6
107.01388	1.5
109.02974	1.3
113.02471	0.8
116.92948	1.1
125.09771	0.8
133.03049	1.5
135.00977	1.0
143.05022	0.9
147.00883	0.9
151.00439	2.5
157.02988	0.9
159.04482	0.7
161.04665	0.8
162.51190	0.9
169.12381	3.0
171.04594	1.1
171.10303	0.9
175.04028	0.7
179.10878	0.8
180.74716	0.7
187.04027	1.4
191.97052	0.7
192.75551	0.7
197.11856	11.5
198.03276	0.9
199.03995	6.3
201.01974	2.8
205.08762	0.9
215.03474	4.0
223.09969	0.9
223.13492	1.1
226.02727	3.1
227.03444	5.4
241.10777	0.9
242.02269	0.7
243.02983	9.2
244.03435	0.7
253.09283	1.8
254.02283	2.2
255.03000	2.9
271.02487	98.8
272.02853	9.2
277.21741	13.3
278.22156	1.1
279.23398	1.2
295.22955	1.2
299.01987	100.0
300.02689	42.3
301.03424	8.0
301.48138	0.7
302.04260	0.7
303.80737	0.8
314.04153	0.8
315.05112	59.4
316.05368	6.5
403.80774	0.8
484.58374	0.9
639.28821	0.8
722.29315	7.9
723.29529	1.7
737.31238	77.0
737.41174	7.8
738.19977	1.3
738.31744	19.1
738.42859	1.1
745.01782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87596	0.7
55.01869	1.0
57.03445	1.0
59.01382	34.2
61.98830	9.9
68.99816	1.3
71.01385	10.8
72.99310	2.8
73.02946	4.2
75.00867	1.1
83.01400	2.0
83.05013	1.5
85.02963	5.1
87.00881	17.8
88.98801	1.4
89.02447	3.7
93.03452	1.0
95.01369	1.5
96.96004	1.1
97.02951	1.2
99.00868	2.3
101.02439	6.7
102.84138	0.7
103.00358	2.2
106.06647	0.8
108.02142	0.8
109.02934	0.9
111.00877	0.9
112.98803	6.6
113.02435	4.7
116.92818	1.0
119.03517	1.8
119.05000	2.2
121.02908	1.3
122.03741	0.8
123.04532	2.7
124.01653	1.6
125.02451	2.3
130.99768	1.3
133.02980	1.3
134.03732	1.9
135.04514	7.4
137.02443	3.2
143.03468	1.2
147.04407	0.8
149.00876	3.7
149.02463	1.1
149.06038	1.9
150.03218	7.8
152.01158	1.8
161.02403	2.3
161.04582	1.7
163.03979	2.9
164.04768	2.4
165.05560	7.1
167.03474	4.8
175.04044	0.7
179.03453	3.0
179.05556	0.9
179.07043	1.1
189.05563	1.6
191.07123	0.8
193.05153	1.4
193.08659	1.4
196.66174	0.8
204.07962	1.5
205.08694	4.8
209.66953	0.7
219.02959	0.8
219.10243	10.1
230.15855	0.8
231.10403	1.0
239.05486	2.1
243.10733	0.7
270.05145	1.1
279.23349	0.9
291.23560	0.8
293.03220	1.4
327.25375	5.7
339.25378	2.9
357.26471	15.6
358.26718	2.3
369.13400	1.0
369.26462	1.0
371.14932	13.5
372.14999	1.4
489.29550	2.5
501.30869	5.2
502.31033	1.0
519.31720	24.0
519.39734	1.2
520.25256	1.0
520.31793	3.6
533.19977	3.7
534.20404	1.3
561.32776	100.0
562.33105	19.6
575.21338	3.9
576.21790	1.2
605.32544	1.0
633.40466	1.0
651.32233	1.6
651.41608	1.1
693.32947	3.8
737.25995	11.4
738.26892	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	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01377	8.0
60.99303	0.6
61.98833	14.0
68.99783	0.5
69.03458	3.4
71.01384	5.5
71.05011	1.7
73.02940	1.1
78.95902	0.6
79.43897	0.5
83.01396	0.8
83.05035	0.5
85.02953	1.4
87.00883	0.8
88.98822	2.9
89.02445	4.0
95.01413	0.5
97.02939	0.7
97.06586	0.7
98.20684	0.8
101.02438	3.7
113.02452	1.9
113.37770	0.5
119.03532	0.6
122.47333	0.5
123.08153	1.3
125.09711	1.5
151.11269	1.5
153.12833	1.2
161.04509	0.8
161.09753	3.0
164.60478	0.5
167.56842	0.5
169.12360	2.5
171.10313	0.6
179.10793	6.4
197.11835	80.2
198.12202	4.2
205.08653	1.4
207.10295	0.5
223.09721	2.8
235.08189	0.9
241.10867	4.2
242.11180	0.7
253.09241	3.4
270.05164	0.7
271.02444	3.5
275.20166	0.6
277.21719	30.7
278.22104	3.6
279.23251	1.7
299.01913	3.2
300.02576	0.6
315.05182	1.9
315.08603	0.8
459.18793	1.9
477.20081	2.6
569.03046	0.6
719.40070	0.9
737.41241	100.0
738.41522	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.2
61.98825	3.1
71.01385	2.8
71.62481	0.3
72.99291	0.3
73.02952	0.8
80.96545	0.4
83.01385	0.2
83.05020	0.3
85.02964	1.2
87.00880	0.7
88.98795	0.3
89.02455	1.1
93.03445	0.3
95.01417	0.4
96.96075	0.3
97.02972	0.4
99.00858	0.4
101.02435	1.9
107.05022	0.4
108.02186	0.5
109.02964	0.5
110.06878	0.2
112.98823	1.0
113.02464	1.7
116.92900	0.3
119.05014	0.5
121.02969	0.9
125.02438	0.4
133.03000	0.3
134.03743	5.8
135.04547	2.5
137.02417	0.6
143.03549	0.4
145.02954	2.2
146.03740	56.6
147.04231	2.9
149.00986	0.5
149.02455	0.7
149.06087	4.0
150.03230	0.9
151.03941	0.3
152.01102	0.3
159.04512	0.3
161.04613	0.7
161.06071	15.4
162.03201	0.3
162.06424	0.8
163.04013	2.1
164.04791	36.3
165.05205	2.0
167.03410	0.6
177.05603	0.5
177.09254	0.6
179.07132	100.0
180.07484	6.1
182.27519	0.2
189.09171	1.4
201.09172	0.3
203.03461	0.5
203.10765	1.3
211.13200	0.4
221.04074	0.3
277.03333	0.4
283.06088	0.3
293.03073	0.3
295.06015	1.1
338.11548	2.0
339.12115	0.5
347.24585	0.3
353.13876	4.4
354.14413	0.6
355.15463	1.3
356.16071	0.4
503.20645	0.5
515.20795	1.5
516.20593	0.4
533.21527	1.1
558.20972	1.5
559.21436	0.5
633.40155	1.5
651.40668	0.9
693.41248	0.5
737.29065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01141	0.9
59.01379	10.7
63.96225	1.9
70.99550	1.0
70.99871	0.9
71.01386	6.5
73.02939	2.5
73.34116	0.7
78.98592	5.0
79.95741	12.3
80.96520	73.0
81.03433	1.3
85.02937	3.0
87.00877	2.0
88.98863	0.7
94.98087	17.3
96.95992	1.3
97.02952	1.5
99.00855	0.8
101.02429	3.1
106.98083	2.9
115.41837	0.7
122.97578	4.3
125.02473	3.4
134.03755	3.9
134.97591	4.8
135.04514	1.1
136.99097	1.7
145.02934	1.5
146.03743	33.7
147.04396	1.3
148.99158	6.1
149.06076	1.7
152.98656	7.4
161.06056	9.9
163.04015	1.4
164.03452	1.4
164.04800	20.7
164.98643	13.6
165.12856	1.0
171.33397	0.8
179.07140	67.3
180.07455	4.3
183.13911	6.7
206.99696	1.9
225.00729	22.8
278.10403	0.7
338.11517	1.5
353.13950	3.7
354.14142	0.9
509.17090	2.7
515.20996	1.1
558.20935	1.2
605.40076	0.9
737.30621	100.0
738.30896	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	737.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.7
59.01379	19.1
60.50485	0.6
61.98834	2.9
63.96220	1.8
69.03472	0.6
70.74274	0.6
71.01381	10.6
71.21830	1.2
71.22180	0.6
72.99302	0.8
73.02929	2.9
78.95896	0.8
78.98592	6.4
79.95742	14.5
80.96515	80.2
81.03460	0.8
83.01373	1.1
85.02948	4.7
87.00874	3.7
88.13783	0.6
89.02437	1.5
94.98086	17.9
95.01344	0.8
96.96011	3.6
97.02947	2.2
99.00868	1.5
101.02451	5.5
104.34714	0.6
106.13048	0.6
106.98076	3.4
112.98788	1.1
113.02441	2.5
113.39687	0.7
122.97585	4.4
125.02451	2.5
127.03999	0.9
134.03723	0.7
134.97565	7.5
135.04550	0.8
136.99153	1.4
144.90254	0.6
146.03690	3.1
148.99139	6.4
152.98619	7.1
155.62198	0.6
161.04558	1.3
161.05974	1.0
164.04778	2.3
164.98622	15.5
165.12874	1.1
179.03534	1.1
179.07108	6.8
182.99670	0.7
183.13910	8.3
188.98576	0.7
206.99689	2.9
208.70955	0.6
211.13428	0.7
225.00729	25.5
353.13663	0.6
509.16928	1.3
517.48462	0.8
542.48199	0.6
626.26166	0.6
633.39740	2.2
693.41986	2.2
737.30560	100.0
738.30902	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.8
61.98831	0.4
63.52614	0.2
69.30552	1.6
71.01390	0.5
85.02957	0.4
89.02473	0.2
95.01400	0.2
101.02453	0.3
105.03482	0.2
109.02970	0.4
113.02461	0.3
119.05044	0.4
121.02946	0.4
124.01682	0.2
130.48822	0.2
131.05009	0.2
134.03741	5.8
135.04539	2.6
137.02454	0.4
145.02959	1.9
146.03738	53.3
147.04184	2.7
148.05066	0.2
149.02495	0.3
149.06084	3.8
150.03198	0.8
161.06082	16.1
162.06409	1.0
163.04008	2.1
164.04790	34.9
165.05101	1.7
175.07686	0.2
177.05629	0.2
177.09123	0.4
179.07130	100.0
180.07478	5.7
187.07613	0.3
189.09235	1.4
194.00468	0.2
201.09210	0.9
203.10776	1.0
209.11726	0.2
231.41855	0.2
251.60097	0.2
283.06052	0.7
295.06088	0.9
311.09152	0.3
330.28967	0.2
338.11584	2.1
339.12152	0.6
353.13940	5.6
354.14349	0.9
355.15460	1.5
369.16763	0.2
432.02737	0.2
503.20490	0.6
515.20526	1.6
533.21887	1.3
558.21002	1.1
559.21887	0.4
737.28296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98842	0.5
63.96242	0.5
71.01380	1.8
73.02953	0.5
76.80027	0.2
78.98592	1.5
79.95742	3.1
80.96523	18.3
85.02959	1.0
85.12613	0.2
87.00889	0.9
94.98096	3.8
96.96047	0.5
97.02972	0.3
99.00903	0.3
101.02448	0.8
102.99986	0.2
106.98112	0.7
113.02448	0.5
121.03004	0.4
122.97608	0.7
125.02444	1.1
127.03969	0.3
134.03748	5.4
134.97609	1.3
135.04549	2.0
136.99126	0.4
145.02975	2.4
146.03749	53.3
147.04164	2.3
148.99147	1.7
149.02434	0.5
149.06087	3.5
149.97046	0.2
150.03238	0.7
150.06424	0.3
150.07562	0.3
152.98578	1.3
161.06094	15.8
162.06409	0.5
163.04042	1.9
164.04805	34.6
164.98651	3.3
165.05177	1.8
165.12830	0.3
175.07622	0.4
177.05624	0.3
177.09331	0.4
179.07144	100.0
180.07477	5.3
183.13899	1.9
187.07603	0.3
189.09248	1.9
201.09276	0.6
203.10732	1.2
206.99699	0.9
209.11958	0.3
225.00754	5.3
283.06036	0.7
295.06140	1.1
338.11765	1.9
339.12228	0.6
353.13925	5.5
354.14560	1.0
355.15698	1.2
359.75076	0.3
503.20761	0.8
509.17044	0.7
515.20953	1.3
516.20941	0.3
533.21692	0.7
558.20892	1.2
559.21375	0.4
633.40234	0.4
672.28802	0.3
737.30640	21.1
738.31000	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	737.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.2
61.98825	3.1
71.01385	2.8
71.62481	0.3
72.99291	0.3
73.02952	0.8
80.96545	0.4
83.01385	0.2
83.05020	0.3
85.02964	1.2
87.00880	0.7
88.98795	0.3
89.02455	1.1
93.03445	0.3
95.01417	0.4
96.96075	0.3
97.02972	0.4
99.00858	0.4
101.02435	1.9
107.05022	0.4
108.02186	0.5
109.02964	0.5
110.06878	0.2
112.98823	1.0
113.02464	1.7
116.92900	0.3
119.05014	0.5
121.02969	0.9
125.02438	0.4
133.03000	0.3
134.03743	5.8
135.04547	2.5
137.02417	0.6
143.03549	0.4
145.02954	2.2
146.03740	56.6
147.04231	2.9
149.00986	0.5
149.02455	0.7
149.06087	4.0
150.03230	0.9
151.03941	0.3
152.01102	0.3
159.04512	0.3
161.04613	0.7
161.06071	15.4
162.03201	0.3
162.06424	0.8
163.04013	2.1
164.04791	36.3
165.05205	2.0
167.03410	0.6
177.05603	0.5
177.09254	0.6
179.07132	100.0
180.07484	6.1
182.27519	0.2
189.09171	1.4
201.09172	0.3
203.03461	0.5
203.10765	1.3
211.13200	0.4
221.04074	0.3
277.03333	0.4
283.06088	0.3
293.03073	0.3
295.06015	1.1
338.11548	2.0
339.12115	0.5
347.24585	0.3
353.13876	4.4
354.14413	0.6
355.15463	1.3
356.16071	0.4
503.20645	0.5
515.20795	1.5
516.20593	0.4
533.21527	1.1
558.20972	1.5
559.21436	0.5
633.40155	1.5
651.40668	0.9
693.41248	0.5
737.29065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01089	0.5
59.01378	6.9
61.98816	0.3
69.38793	2.3
71.01378	1.0
73.02955	0.6
76.14644	0.2
77.19809	0.2
85.02944	0.6
87.00903	0.5
89.02443	0.5
97.02919	0.5
99.00868	0.3
101.02451	0.4
107.04972	0.2
109.02953	1.5
112.98810	0.4
113.02447	0.7
121.02953	0.7
122.03721	1.0
123.00887	0.9
123.04536	1.1
124.01675	4.5
125.02413	0.8
134.03708	0.3
135.04514	1.0
136.01660	2.7
136.05290	0.7
137.02483	2.2
138.03253	2.7
139.04016	2.8
145.02940	0.4
145.06612	0.3
147.04510	0.3
149.02446	2.2
150.03223	48.1
151.03781	2.7
152.04747	0.3
159.08165	0.6
161.02431	1.1
161.09747	0.3
162.03185	0.5
163.03998	2.7
163.07671	0.5
164.04797	7.9
165.05563	37.7
166.05907	1.7
170.39542	0.2
172.05264	0.5
173.09753	0.4
175.04030	1.4
175.07623	0.5
175.11220	0.5
176.04836	1.7
177.09230	2.5
178.06209	0.5
179.03519	0.3
179.07103	1.3
179.58971	0.3
183.13835	0.4
186.06847	0.7
186.91766	0.2
187.07643	1.6
188.04651	0.3
189.05556	3.2
190.06326	1.8
191.07091	2.0
191.10791	2.7
192.07858	0.7
193.08694	12.0
194.09006	0.6
201.09221	1.1
203.07156	2.6
204.07887	5.2
205.08684	33.7
206.09097	3.2
217.08699	1.8
218.09401	1.2
219.10248	63.9
220.10551	5.2
231.10262	2.4
241.05017	0.5
243.06674	0.3
269.04620	1.4
270.05276	0.9
271.10480	0.2
284.06903	0.4
286.04782	0.6
287.05597	3.0
300.06516	0.4
301.07156	0.3
302.07953	4.1
303.08371	0.6
313.06949	0.3
337.11087	0.3
338.11487	1.2
339.12341	1.3
353.13937	1.0
354.10977	0.9
355.11795	0.3
356.12610	1.5
369.13342	0.8
370.14200	0.7
371.14975	100.0
372.15286	11.9
515.19196	2.8
516.19238	0.4
533.20258	45.7
534.20612	6.9
575.21295	35.6
576.13336	0.2
576.21606	6.2
633.39960	0.9
651.40948	0.3
677.24310	0.3
677.42883	0.5
695.25165	0.4
737.26727	7.7
737.39355	0.6
738.26990	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57807	0.7
59.01379	37.0
59.49746	0.7
61.98830	8.4
65.13417	0.7
68.84375	0.6
69.03462	0.8
69.38313	7.0
71.01377	7.6
72.99314	0.8
73.02946	3.2
79.95741	0.8
83.01353	1.7
83.05029	0.8
85.02967	3.8
87.00862	2.8
88.98776	0.8
89.02446	2.2
93.03441	0.9
95.01357	1.0
95.05027	0.9
96.96014	1.2
97.02912	1.2
101.02420	4.5
108.02151	0.8
109.02962	2.4
110.86183	0.9
112.98785	3.1
113.02452	5.1
118.86937	0.8
119.03512	1.0
119.05026	1.7
121.02932	2.4
122.03743	1.1
123.00853	1.4
123.04546	1.7
124.01666	5.2
125.02419	2.3
133.02940	1.1
134.03787	0.7
135.04506	3.2
136.01640	2.4
137.02411	4.7
138.03207	2.3
139.04012	3.1
143.03439	1.2
145.02896	1.2
146.03720	2.9
149.00903	1.3
149.02426	2.1
149.04753	0.8
149.06042	1.0
150.03226	52.5
151.04048	3.7
153.84642	0.8
161.02408	3.2
161.04556	2.0
161.05908	0.7
161.09735	0.8
163.03931	4.0
163.07643	0.9
164.04776	8.6
165.05562	42.3
166.05887	2.1
175.03954	1.7
176.04721	2.4
176.06409	0.8
177.01956	6.2
177.03407	1.1
177.09174	3.0
179.03464	1.5
179.07097	4.5
187.03925	0.8
187.07576	1.4
188.04996	0.7
189.05524	3.2
189.09177	0.9
190.06306	0.9
191.07152	2.9
191.10721	2.5
192.07870	1.1
193.08673	10.9
194.08925	1.0
197.11795	0.8
201.09105	0.9
203.07164	4.1
204.07904	6.3
205.08681	38.3
206.09262	3.8
217.08652	6.5
218.09412	2.9
219.10240	74.9
220.10547	5.6
231.10242	3.1
243.67787	0.9
269.04474	1.5
284.06805	1.0
285.04071	1.5
286.04440	0.8
287.05585	2.8
299.05640	0.8
300.06329	3.5
301.07001	0.9
302.07919	4.4
338.11606	2.2
339.12299	1.6
353.13919	2.9
354.10959	5.5
355.11786	1.8
356.12808	2.1
369.13464	4.8
370.14120	3.1
371.14981	100.0
372.15323	14.4
413.15781	0.9
437.16028	1.7
515.19171	33.0
516.19745	4.6
533.20270	55.1
534.20660	10.0
575.21338	53.4
576.21765	10.2
615.39618	1.0
633.40076	5.6
651.40796	1.6
677.25134	1.4
693.41260	2.5
737.26221	3.8
738.27515	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89880	0.3
59.01377	4.2
61.61327	0.3
61.98820	0.3
69.58652	0.3
70.75457	0.7
71.01394	0.5
73.02969	0.3
85.02960	0.5
89.02434	0.3
95.01360	0.4
101.02402	0.5
109.02954	1.4
112.83901	0.3
121.02937	0.8
122.03732	1.1
123.00870	0.9
123.04527	1.0
124.01659	3.2
125.02472	0.8
135.04465	0.6
136.01678	3.0
136.05376	0.5
137.02428	1.3
138.03215	2.2
138.04120	0.3
139.04030	2.8
146.03752	0.3
149.02443	2.0
150.03226	46.2
151.03569	2.2
159.08136	0.4
161.02434	1.0
162.03206	0.5
163.03954	1.8
164.04790	7.4
165.05568	33.1
166.05847	1.6
172.05348	0.3
173.06129	0.3
175.04027	1.7
175.11273	0.4
176.04739	1.5
177.09209	2.7
178.09517	0.3
179.07158	0.9
184.01910	0.3
186.06842	0.4
187.07646	1.3
188.04805	0.6
189.05574	3.2
190.06334	2.1
191.07086	1.9
191.10760	2.5
192.07860	0.4
193.08699	11.2
194.09050	0.7
201.09248	1.1
203.07050	2.5
204.07899	4.3
205.08687	33.0
206.09152	3.3
213.09271	0.4
217.08745	1.1
218.09494	1.3
219.10254	63.8
219.31245	0.3
220.10567	5.1
229.08557	0.3
231.10243	2.6
232.10339	0.3
260.09161	0.3
269.04520	1.1
270.05197	0.7
273.07965	0.3
283.06143	0.5
284.06894	0.6
285.04074	0.6
287.05591	3.0
299.71274	0.3
300.06430	0.4
301.07156	0.5
302.07944	4.2
313.07053	0.4
321.94434	0.4
337.10904	0.4
338.11761	1.6
339.12201	0.9
353.13940	1.5
354.10941	0.6
355.11786	0.6
356.12582	1.7
369.13324	0.5
370.14224	0.5
371.14981	100.0
372.15317	12.0
515.19318	3.2
533.20276	45.9
534.20618	7.2
575.21332	33.1
576.21710	6.4
633.40057	0.4
693.41840	0.4
737.26721	7.6
738.27405	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	737.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
59.01382	9.9
61.98835	1.3
69.51727	1.0
69.52138	0.8
71.01389	1.9
73.02947	0.8
80.96514	0.3
83.01396	0.3
83.05054	0.3
85.02959	1.0
87.00890	0.3
89.02425	0.5
101.02449	0.9
108.02170	0.3
109.02945	1.5
112.98848	0.5
113.02459	0.7
119.05048	0.3
121.02966	0.6
122.03785	0.8
123.00883	1.0
123.04533	0.8
124.01669	3.7
125.02450	0.9
131.03511	0.3
135.04501	1.1
136.01675	2.4
136.05273	0.8
137.02458	1.9
138.03247	2.8
139.04033	2.9
143.03366	0.3
146.03716	0.7
147.04515	0.3
149.00940	0.5
149.02434	1.9
149.69191	0.3
150.03229	48.8
151.03738	2.1
152.01204	0.3
152.04753	0.4
159.08215	0.5
161.02441	1.2
161.04555	0.4
161.06000	0.6
161.09718	0.5
162.03227	0.6
163.04025	2.1
164.04793	8.7
164.87643	0.3
165.05574	35.5
166.05867	1.6
172.05325	0.4
173.06146	0.4
173.09850	0.4
175.04051	1.3
175.11255	0.6
176.04738	1.5
177.05533	0.3
177.09215	2.8
178.02684	0.3
178.06364	0.4
179.03442	0.3
179.07132	2.2
186.06926	0.4
187.03960	0.3
187.07671	1.2
188.04758	0.3
189.05568	3.9
190.06369	1.6
191.07133	2.5
191.10754	2.9
192.07765	0.5
193.08691	10.2
194.09023	0.9
201.09192	0.9
202.06393	0.3
203.03607	0.4
203.07173	2.3
203.10851	0.3
204.07884	4.6
204.09673	0.4
205.08696	32.7
206.09108	2.9
213.09108	0.5
217.08678	1.6
218.09477	1.0
219.10258	67.0
220.10616	5.0
231.10240	2.9
241.05096	0.6
259.05832	0.4
269.04468	1.5
270.05386	0.5
283.05945	0.4
284.06952	0.6
286.04843	0.5
287.05634	3.4
301.07251	0.5
302.07990	3.9
303.08493	0.5
307.22687	0.3
338.11658	1.1
339.12268	1.2
353.13885	1.1
354.10919	0.8
355.11710	0.6
356.12787	1.5
369.13589	0.5
370.14404	0.8
371.14990	100.0
372.15302	12.4
383.71259	0.3
387.58188	0.3
515.19202	1.6
533.20288	22.4
534.20514	3.6
544.13678	0.3
575.21338	58.0
576.21716	11.3
576.30951	0.4
633.39990	0.9
651.41156	0.8
693.42389	0.4
737.26361	3.6
738.26849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.98840	0.4
69.45482	1.3
69.45905	1.4
78.31511	0.3
84.50986	0.3
90.27520	0.4
94.42828	0.4
98.19855	0.4
108.85346	0.4
118.15450	0.4
177.12851	0.5
195.13931	2.4
213.12987	0.3
277.21704	17.7
278.22043	1.7
308.80539	0.4
343.49487	0.5
354.31805	0.4
439.35757	2.1
440.36508	0.4
457.36838	100.0
458.37149	19.2
566.64783	0.4
735.43213	3.1
736.43878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03463	0.8
57.25996	0.5
59.01381	100.0
60.01706	0.7
61.98847	0.6
64.29131	0.6
71.01386	15.5
71.60862	0.5
72.01730	0.5
72.99326	1.7
73.02952	4.0
74.64059	0.6
75.00852	0.6
79.96731	0.4
83.01402	1.8
85.02954	6.2
87.00876	3.2
89.02445	4.5
95.01405	1.0
96.96007	0.8
97.02914	0.7
99.00903	2.2
101.02457	9.7
103.00356	0.6
108.02236	0.6
109.02983	0.7
112.98818	1.6
113.02454	6.8
116.92881	1.3
119.03561	0.9
119.05083	0.9
120.52129	0.5
121.02975	0.6
125.02485	0.8
125.85828	0.6
135.04558	3.0
136.01697	1.9
137.02403	0.7
143.03491	1.1
145.03008	0.7
149.00937	3.9
149.02553	0.6
150.03229	0.8
151.04034	2.1
152.01135	1.0
159.03038	0.9
161.02512	0.9
161.04558	7.7
163.04070	1.5
179.03561	1.6
179.05637	0.6
193.05020	1.0
205.05154	0.6
247.11862	15.7
247.14224	1.0
248.12257	0.9
269.10400	1.5
289.12936	10.3
290.13541	0.7
333.12152	0.7
401.14468	8.2
402.15298	0.7
603.21039	1.0
604.20862	0.6
660.73151	0.6
735.23395	1.0
736.21796	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01376	5.1
61.98827	0.7
64.79250	0.3
66.70476	0.3
69.03454	1.9
71.01382	4.4
71.05013	0.9
71.18269	0.3
73.02943	0.8
78.95894	0.6
83.01376	0.4
83.05022	0.7
85.02949	0.9
85.06591	0.5
87.00877	1.0
87.87764	0.3
89.02440	3.1
95.01364	0.5
95.05016	0.3
101.02432	4.2
109.06583	0.6
111.08149	0.7
113.02441	2.2
119.03503	1.0
125.09727	0.5
141.09244	0.4
143.03529	0.5
145.05022	0.5
149.09741	0.7
161.04572	1.9
161.13353	0.4
167.10767	2.6
171.10278	0.6
175.23300	0.3
176.71646	0.3
177.12804	0.8
179.05641	0.6
179.10796	1.3
179.14388	4.2
180.14749	0.3
195.13895	15.4
196.14345	1.1
205.12311	9.3
205.15610	0.4
206.12651	0.4
211.13361	0.4
223.13379	100.0
224.13698	8.4
225.14964	0.8
228.13628	0.6
231.20795	0.3
235.08205	3.3
253.09265	17.3
254.09465	0.8
256.13184	1.1
265.21655	0.4
275.20154	5.6
276.20358	0.5
277.21683	0.6
293.21216	87.2
294.21545	9.2
397.13718	0.4
410.20544	0.3
441.21353	0.8
459.15903	0.5
459.22333	11.0
460.22739	1.4
492.21988	0.6
499.34280	0.8
526.05182	0.3
529.30115	1.0
666.36462	0.5
668.75128	0.3
698.34448	0.3
735.43231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
57.03454	1.3
58.02966	1.4
59.01381	62.9
59.14812	1.3
61.98833	19.5
69.43832	2.6
69.44239	8.6
71.01383	20.6
72.99313	3.4
73.02956	4.4
83.01359	2.0
85.02953	5.2
85.71894	1.3
87.00877	4.3
88.98753	1.4
89.02460	9.2
93.03446	2.0
95.14153	1.3
96.95985	1.4
97.02953	1.8
99.00911	1.7
101.02451	5.9
107.05058	2.6
108.02198	2.3
108.56884	1.2
109.02929	2.6
109.06589	2.0
109.18640	1.3
112.98808	8.3
113.02483	4.8
116.92881	2.2
119.05044	3.7
121.02982	4.9
122.03753	2.1
124.01691	4.7
125.02457	2.4
133.02960	3.0
134.03726	6.8
135.04527	7.6
136.01617	3.0
137.02460	6.2
138.03235	1.6
139.03999	3.7
147.04515	5.7
148.05299	5.0
149.00864	3.5
149.02477	3.6
150.03227	32.0
150.04297	1.1
150.56921	1.4
151.04025	3.6
159.04419	2.0
161.02371	2.5
161.04590	2.0
162.03273	2.2
163.03990	5.0
165.04276	2.3
165.05566	22.1
166.02888	1.4
175.07668	2.0
177.05608	2.5
177.09198	26.5
179.03600	2.2
187.07559	2.6
188.08458	2.2
189.09207	32.0
190.09537	3.0
201.09396	1.8
202.06447	1.5
203.03511	1.7
203.10773	72.7
204.11151	3.3
211.13390	1.6
215.10689	2.3
217.08765	1.4
217.12395	1.7
269.04584	2.1
271.06012	4.0
277.03503	2.0
286.08426	1.6
311.09274	2.6
322.11969	1.7
323.12982	2.3
338.11459	2.9
339.12048	2.1
340.12933	6.9
355.15503	94.9
356.15887	10.5
361.76132	1.6
481.18481	2.1
499.19681	5.3
559.21857	29.1
560.22217	5.2
631.23877	3.5
631.38635	4.4
649.25269	6.7
649.40070	1.7
650.26697	1.5
691.26086	100.0
691.39014	4.3
692.26453	22.1
734.45166	1.8
735.37988	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33811	0.6
58.00588	0.7
59.01380	24.7
61.98834	2.1
69.76691	1.9
69.77099	1.3
71.01384	8.0
72.99317	0.6
73.02963	1.2
76.11285	0.6
78.07497	0.6
85.02966	1.0
89.02443	6.6
94.29382	0.7
95.01403	1.0
97.02930	1.6
99.00894	1.4
101.02448	1.1
108.02190	0.9
109.02992	2.8
112.98831	0.8
113.02454	1.1
121.02940	4.3
123.00922	1.5
124.01670	3.7
125.02445	1.5
131.03560	0.7
133.03050	1.0
134.03754	9.7
135.04582	4.3
136.01668	1.0
137.02463	3.2
138.03287	1.7
139.04045	2.6
146.03732	0.7
147.04633	3.0
147.08186	1.2
148.05315	5.0
149.02440	4.6
150.03232	26.7
151.04054	3.3
152.04802	0.8
159.04549	1.4
160.05249	1.0
161.06111	1.0
162.03284	1.7
163.04025	4.9
164.04825	1.6
165.05573	17.3
166.05965	1.3
173.06090	1.9
175.04010	0.6
175.07669	4.0
177.05614	1.6
177.07635	1.1
177.09206	22.0
178.09546	1.0
187.07634	3.7
188.08418	3.1
189.09213	33.6
190.09573	1.9
201.09207	2.1
203.10777	61.3
204.11070	4.8
215.10777	2.2
217.12286	1.0
253.05171	0.9
271.06110	4.1
283.06131	0.9
284.07132	0.7
285.07660	1.0
286.08493	5.4
287.08887	1.0
295.06198	0.7
296.06760	1.1
297.07663	2.5
311.09302	2.3
323.12817	2.1
325.10757	1.3
337.14490	1.4
338.11658	1.9
339.12238	2.3
340.13248	7.1
353.13965	2.1
354.14740	0.8
355.15497	99.4
356.15833	11.5
365.14035	0.8
409.15997	0.7
481.18652	2.1
487.34335	0.8
499.19821	5.2
517.20978	1.4
541.20520	0.9
559.21851	29.0
560.22137	4.8
631.24017	3.1
632.25653	0.7
649.25134	8.0
650.25128	1.7
691.26044	100.0
692.26349	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	733.578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.3
61.98840	1.5
69.56850	10.9
78.95899	1.6
79.95750	1.5
80.96528	9.0
98.20593	3.0
112.97430	1.4
152.99532	1.5
225.00667	2.1
244.86996	1.4
277.21725	100.0
278.22040	10.0
346.22903	1.4
455.29196	2.0
455.35339	33.5
456.35739	6.9
564.66394	1.7
589.34882	1.4
713.28375	1.5
733.37671	11.6
734.38080	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	735.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48083	0.6
58.09925	0.8
58.18224	0.6
59.01385	5.5
61.98826	0.6
71.01373	4.2
72.99301	1.2
85.02955	1.1
87.00882	3.5
89.02457	2.7
90.78442	0.6
93.03465	0.9
96.96024	2.3
99.92572	1.3
101.02435	1.9
106.04272	0.9
109.02972	1.2
110.46406	0.6
112.98779	0.9
113.02427	2.0
115.92062	2.5
116.92860	7.3
117.03483	8.8
119.05031	19.2
121.02957	2.4
130.08736	0.8
133.02950	1.6
133.06602	1.3
134.03741	42.9
135.04451	2.6
137.02435	7.6
139.04010	1.5
145.02954	40.0
146.03313	2.0
149.00935	4.0
149.06084	14.8
150.03284	1.0
150.06525	0.9
152.01114	1.3
155.47330	0.6
160.04027	0.7
161.02502	1.2
161.06088	3.1
163.04005	22.9
164.04451	1.0
175.04027	1.3
177.05557	1.5
178.02722	24.6
179.03421	2.5
187.03987	0.9
193.05057	100.0
194.05383	4.5
205.05070	3.8
214.23172	0.7
229.09010	1.0
234.02417	0.7
235.06033	2.1
265.07150	3.3
307.08395	1.1
325.09302	1.6
355.10300	15.0
356.10635	1.0
469.13412	1.5
487.14545	45.3
488.14957	6.4
529.15448	10.5
530.15863	1.2
691.18933	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.32420	0.5
57.03450	31.0
59.01380	67.4
60.01709	0.8
61.98832	5.8
69.03447	1.3
69.81181	3.8
71.01384	30.9
71.05036	0.7
72.99324	3.2
73.02947	12.3
81.03452	1.8
83.01385	2.1
83.05015	1.4
85.02946	9.3
87.00878	3.3
89.02443	28.8
89.12430	0.9
93.03424	1.2
95.01374	2.1
95.05067	0.7
96.96030	1.0
97.02940	2.5
99.00879	33.0
99.04521	19.6
101.02446	19.7
108.04546	0.9
109.02979	1.0
112.98792	2.7
113.02448	17.6
115.04021	1.6
119.03487	2.6
119.05014	3.1
122.06106	2.2
123.04558	1.8
124.04028	0.9
125.02444	11.9
131.03499	7.0
133.02917	0.7
133.21210	0.6
134.03712	2.0
135.04492	3.0
136.04028	1.4
136.07671	3.1
137.02393	1.4
143.03517	12.5
145.02950	1.0
149.00935	5.4
149.04552	26.7
149.05836	1.3
150.03145	0.9
150.05711	1.2
155.03513	3.2
161.02505	1.0
161.04579	14.7
163.03966	2.5
167.03378	1.0
169.57198	0.6
178.02718	1.0
179.03467	1.9
186.09279	1.1
191.05608	12.7
193.04961	0.7
197.06085	0.8
202.12386	0.9
203.05614	12.3
215.08165	1.2
225.05518	1.9
226.06268	1.5
229.09769	3.7
230.11841	2.8
233.06642	5.5
245.09344	1.1
253.08559	1.2
257.09229	1.5
273.12469	5.1
283.09583	0.8
317.11377	4.7
317.68198	0.7
323.12875	2.7
335.12683	29.0
336.12732	2.8
353.10730	1.0
393.78693	0.7
413.21786	1.4
439.13672	1.4
442.83609	0.7
449.12552	0.8
469.14908	4.3
503.24872	5.2
527.25000	2.1
545.26031	100.0
546.26373	17.1
587.26801	1.1
601.21545	1.2
660.03613	0.8
689.30249	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	732.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	0.3
59.19353	0.3
61.98830	100.0
71.66634	0.3
72.51498	0.3
78.98606	0.3
80.96511	0.8
94.98086	0.3
268.38919	0.3
277.21918	0.3
279.23434	0.6
280.23804	0.4
733.38306	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01132	3.0
59.01387	35.1
61.98833	29.6
69.57430	2.5
71.01387	11.8
85.02988	3.6
87.00889	5.0
89.02429	7.3
99.00903	3.3
101.02422	3.1
107.05029	5.3
112.98792	6.9
119.05038	3.2
121.02898	3.3
121.18799	2.3
125.02501	3.1
130.80132	2.6
135.04494	7.1
139.03998	3.2
149.02425	6.0
150.03244	31.0
161.02379	2.5
163.03926	3.5
165.05588	37.8
171.10158	4.8
175.07658	15.6
179.03439	5.5
187.07645	19.5
201.06075	2.5
201.09210	70.6
202.09550	6.9
216.63004	2.6
233.48439	2.8
291.25018	2.6
295.06226	3.0
336.58893	2.7
337.10831	3.5
338.11526	7.9
345.22446	2.5
353.13974	78.1
354.14273	12.3
497.18201	3.5
557.20514	22.7
558.20789	4.0
587.21210	2.7
629.22906	2.7
641.22559	8.6
647.22656	5.0
689.24487	100.0
690.24548	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	733.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.32420	0.5
57.03450	31.0
59.01380	67.4
60.01709	0.8
61.98832	5.8
69.03447	1.3
69.81181	3.8
71.01384	30.9
71.05036	0.7
72.99324	3.2
73.02947	12.3
81.03452	1.8
83.01385	2.1
83.05015	1.4
85.02946	9.3
87.00878	3.3
89.02443	28.8
89.12430	0.9
93.03424	1.2
95.01374	2.1
95.05067	0.7
96.96030	1.0
97.02940	2.5
99.00879	33.0
99.04521	19.6
101.02446	19.7
108.04546	0.9
109.02979	1.0
112.98792	2.7
113.02448	17.6
115.04021	1.6
119.03487	2.6
119.05014	3.1
122.06106	2.2
123.04558	1.8
124.04028	0.9
125.02444	11.9
131.03499	7.0
133.02917	0.7
133.21210	0.6
134.03712	2.0
135.04492	3.0
136.04028	1.4
136.07671	3.1
137.02393	1.4
143.03517	12.5
145.02950	1.0
149.00935	5.4
149.04552	26.7
149.05836	1.3
150.03145	0.9
150.05711	1.2
155.03513	3.2
161.02505	1.0
161.04579	14.7
163.03966	2.5
167.03378	1.0
169.57198	0.6
178.02718	1.0
179.03467	1.9
186.09279	1.1
191.05608	12.7
193.04961	0.7
197.06085	0.8
202.12386	0.9
203.05614	12.3
215.08165	1.2
225.05518	1.9
226.06268	1.5
229.09769	3.7
230.11841	2.8
233.06642	5.5
245.09344	1.1
253.08559	1.2
257.09229	1.5
273.12469	5.1
283.09583	0.8
317.11377	4.7
317.68198	0.7
323.12875	2.7
335.12683	29.0
336.12732	2.8
353.10730	1.0
393.78693	0.7
413.21786	1.4
439.13672	1.4
442.83609	0.7
449.12552	0.8
469.14908	4.3
503.24872	5.2
527.25000	2.1
545.26031	100.0
546.26373	17.1
587.26801	1.1
601.21545	1.2
660.03613	0.8
689.30249	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	731.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03450	1.2
58.00580	0.8
58.86744	0.6
59.01385	39.3
61.98835	4.9
62.88186	0.7
69.03467	0.8
71.01385	16.2
72.01725	1.0
72.99301	2.2
73.02956	5.2
83.01387	3.6
85.02964	9.5
87.00890	3.2
89.02449	4.3
95.01392	0.9
96.96008	1.3
99.00870	2.1
101.02448	13.1
102.02757	0.6
109.02911	0.6
112.98812	2.0
113.02455	8.5
113.06032	0.7
114.17374	0.6
119.03558	0.9
121.02996	0.6
125.02413	1.2
130.99788	0.6
135.04529	1.5
143.03497	1.0
149.00931	5.6
149.04523	0.7
150.03244	1.0
153.37854	0.6
159.03018	1.1
161.02345	0.7
161.04564	3.1
179.03456	0.9
209.11865	1.0
252.13589	0.6
274.39938	0.6
299.12622	0.7
383.67880	0.7
421.29721	0.9
439.30798	1.6
465.28308	2.4
482.28360	0.9
483.20575	0.6
483.22461	0.7
483.29251	5.3
523.29169	1.7
524.29376	1.7
525.30670	100.0
526.31006	13.5
555.29773	1.8
581.28314	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	2.9
59.01380	100.0
61.98835	4.4
64.94682	1.8
69.55486	3.5
69.55882	11.4
71.01403	2.5
72.99297	8.0
81.71890	1.6
87.00875	35.3
91.16936	1.5
99.00864	2.4
101.02453	1.8
103.00372	68.5
109.92234	1.4
112.98793	7.9
119.05016	2.1
124.04058	4.6
130.99861	58.1
134.03719	2.7
135.04523	10.8
136.01596	1.8
137.02437	1.7
138.82268	1.6
147.04524	94.6
148.04883	4.4
149.00920	5.4
179.03423	3.2
195.06616	1.8
219.02884	2.4
228.49408	1.7
259.29834	1.5
267.05084	6.6
279.05096	60.4
279.08188	3.4
280.05356	4.7
304.69257	1.5
731.26190	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	731.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
67.49486	0.3
71.01377	0.5
71.61536	0.3
75.00880	0.6
84.76388	0.3
85.02921	0.4
87.00879	1.0
93.03435	0.6
96.96020	0.6
101.02493	0.5
103.00379	0.4
104.03523	0.4
109.02947	1.7
112.98841	0.4
113.02454	0.3
119.05027	94.4
120.05359	5.9
121.03011	0.4
122.49761	0.3
123.00917	0.7
124.01679	2.0
125.02459	1.1
135.04533	1.2
145.02946	0.5
149.00951	1.2
149.99564	2.1
152.01154	0.4
153.01945	2.9
163.04008	100.0
164.04349	6.6
165.04434	0.6
167.03288	0.3
168.00652	4.5
169.01378	1.1
177.01884	0.5
178.99892	0.4
179.05663	2.0
198.80719	0.3
226.27437	0.3
325.09283	14.9
326.09796	1.6
355.17209	0.3
569.11823	1.3
731.16644	4.4
732.17798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
59.93863	0.3
61.98836	0.4
66.52899	0.3
69.59968	1.8
71.01396	0.6
72.99285	0.3
87.00874	0.6
89.03533	0.3
93.03463	1.1
96.96025	0.8
101.02475	0.5
108.02170	0.5
117.03430	0.3
119.05030	95.0
120.05370	4.0
128.03552	0.3
135.04518	0.3
137.02478	1.7
143.04659	0.3
149.00955	0.7
149.06024	0.2
152.01111	0.3
161.02470	0.4
163.04010	100.0
164.04349	5.7
165.63504	0.3
176.92763	0.3
177.02031	0.5
179.03445	0.5
219.15308	0.3
244.07388	0.3
325.09305	15.1
326.09641	1.4
345.74393	0.3
518.92969	0.3
546.34113	0.3
581.37225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
61.98815	0.4
69.60255	1.9
71.01379	0.5
85.02934	0.4
87.00883	0.6
92.72987	0.4
92.73714	0.3
93.03453	1.7
96.96026	0.9
98.19909	0.8
108.02223	0.5
109.87737	0.3
113.02477	0.3
119.05029	97.3
120.05354	4.9
135.04556	0.8
137.02457	3.2
143.04623	0.4
149.00969	0.9
152.01202	0.4
153.01814	0.4
156.75380	0.4
163.04013	100.0
164.04343	5.9
165.05498	0.4
179.03502	0.7
179.05527	0.4
183.06598	0.6
239.05786	0.4
310.64276	0.3
325.09299	16.2
326.09717	1.1
519.84027	0.3
731.19794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
60.81665	0.3
71.01361	0.5
71.60557	0.5
75.00881	0.7
87.00880	0.9
89.02450	0.4
93.03469	0.7
96.96017	0.4
103.00383	0.4
104.03524	0.7
109.02949	2.4
119.05028	94.3
120.05369	6.5
123.00893	1.1
124.01662	2.1
125.02469	1.2
135.04527	1.1
137.00655	0.4
145.02917	0.4
149.00923	1.5
149.99602	2.9
152.01219	0.5
153.01939	3.2
158.56853	0.3
163.04010	100.0
164.04359	6.3
165.04482	0.9
168.00620	5.9
169.01396	1.5
178.99863	0.4
179.03482	0.3
179.05603	2.5
205.04909	0.5
253.03680	0.5
324.53918	0.4
325.09283	15.0
326.09723	1.9
327.09818	0.7
492.75565	0.3
524.41010	0.4
569.11359	0.9
731.16528	6.1
732.17181	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	731.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
59.90833	0.7
60.99305	19.6
61.98825	10.8
71.61804	0.9
87.00874	10.1
88.00426	1.9
88.01191	0.7
88.98808	100.0
89.02441	30.6
89.99152	1.0
122.92172	0.6
234.22156	0.7
265.08011	0.7
372.14124	0.7
372.63901	0.7
421.40540	0.7
435.15121	0.7
438.13351	1.6
467.13657	2.7
481.15189	15.0
482.15582	6.4
483.16400	1.1
495.16922	1.3
497.18259	4.4
498.18292	1.4
514.14838	8.2
515.15173	2.3
528.16327	1.4
540.16705	4.3
541.16510	0.9
555.18866	42.2
556.19073	12.3
572.15399	6.8
573.15485	1.6
627.21021	0.8
641.22382	2.4
659.23529	24.4
660.23840	8.4
731.25336	4.9
732.25983	1.6
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
50.89406	0.5
55.01887	0.4
57.03441	0.8
58.00603	1.2
59.01381	39.7
61.20072	0.4
61.98824	1.6
69.75529	1.6
69.75947	0.8
71.01384	18.7
72.01745	0.4
72.99300	1.3
73.02950	10.9
73.75898	0.4
82.68736	0.5
83.01393	3.1
85.02961	5.1
85.03455	0.6
87.00893	1.1
89.02448	9.5
93.38412	0.4
95.01389	1.7
99.00909	0.8
101.02447	12.8
112.98755	0.7
113.02454	7.3
119.03489	3.3
131.03494	0.5
135.04564	0.5
143.03520	0.7
149.04568	0.5
161.04535	1.0
170.96826	0.4
179.03435	0.5
257.20352	0.4
260.38409	0.4
289.59213	0.4
293.62445	0.4
301.21750	2.7
315.93146	0.4
448.85529	0.4
463.26953	2.2
481.27954	3.7
505.27713	0.6
523.29108	100.0
524.29468	20.3
619.05341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.9
61.98825	3.5
67.92219	0.9
70.84755	2.4
71.01385	1.3
89.02466	1.2
96.75901	0.8
101.02431	2.2
105.44707	0.8
108.81268	0.7
113.02430	1.3
123.15870	0.7
135.67654	0.7
171.10272	73.6
172.10629	4.9
185.63759	0.8
206.25621	0.9
235.08313	3.9
253.09267	7.8
279.23297	100.0
280.23669	10.3
515.32446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14459	0.2
59.01381	0.1
61.98830	100.0
70.92338	0.5
80.14748	0.1
80.96070	0.1
80.96526	0.6
94.98093	0.2
99.74622	0.1
100.17571	0.2
100.40895	0.2
101.02394	0.2
120.24949	0.2
171.10284	0.6
172.10690	0.3
180.84654	0.2
277.21860	0.5
278.22214	0.5
279.22446	0.3
288.17554	0.2
292.37973	0.2
414.55801	0.1
494.66196	0.2
501.78931	0.2
731.36743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43786	0.1
59.01353	0.1
61.98830	100.0
62.29125	0.1
67.01897	0.1
67.30399	0.1
71.01389	0.2
71.35722	0.1
71.38290	0.2
71.38620	0.1
74.22221	0.1
78.95930	0.1
80.96522	0.6
83.80047	0.1
94.98058	0.1
115.88839	0.1
148.99243	0.1
171.10274	0.8
172.10602	0.5
173.10863	0.2
220.32317	0.1
269.68558	0.1
277.07751	0.1
277.21832	0.3
278.22144	0.2
279.22440	0.1
481.13168	0.1
638.87311	0.1
648.22198	0.1
731.36670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.219
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	2.0
59.01381	43.7
61.98838	11.7
71.01391	4.9
71.61464	1.7
72.99314	4.6
73.02940	2.1
83.01390	0.9
85.02951	1.8
87.00881	24.4
87.80498	1.0
88.04052	2.9
89.02472	1.7
93.03461	1.7
96.96021	4.2
99.00880	2.3
99.04523	2.1
101.02454	2.2
103.00378	15.2
108.02171	0.8
109.02952	1.7
112.98803	5.6
113.02477	2.0
119.05034	2.8
121.02981	4.2
122.03783	5.4
123.04553	2.3
125.15903	1.0
130.99876	3.9
132.02222	1.1
133.02979	4.1
134.03749	34.7
135.04575	10.3
136.01610	1.1
137.02446	6.6
139.04002	1.4
141.73331	0.9
143.03496	2.9
143.07150	1.3
145.02959	1.8
147.04546	1.6
149.00935	10.2
149.02448	13.3
149.04854	1.7
149.06082	17.8
150.03229	32.8
150.06456	0.9
151.03914	3.2
160.06160	2.6
161.02458	2.5
163.03992	2.0
164.04787	2.6
165.01955	1.0
165.05563	27.4
166.05969	2.2
167.03488	1.0
175.04111	1.7
177.01938	1.3
177.05614	1.9
178.02722	23.6
179.03477	7.0
180.04230	2.7
181.05016	1.9
187.86369	0.8
191.05650	1.2
192.04259	5.7
193.05054	100.0
194.05397	5.4
195.06599	10.6
207.06607	7.2
209.50584	1.1
256.70801	0.8
267.06302	0.9
326.04498	1.0
347.15063	5.2
380.49017	0.9
401.11856	1.0
403.13916	7.9
457.15207	6.3
475.15958	1.0
525.18427	1.2
545.26160	1.0
551.19147	34.2
552.19440	6.0
581.20551	3.1
594.23511	0.9
599.21350	45.2
600.21625	10.7
600.41748	1.1
732.21338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05254	0.3
59.01379	0.7
63.17361	0.3
70.22114	0.6
70.22469	0.8
71.01387	0.5
89.02428	0.3
93.03485	0.4
108.02180	1.9
109.02958	1.9
110.03243	0.3
112.98763	0.3
119.05025	100.0
120.05366	4.9
123.04517	0.3
133.02963	0.4
135.04543	1.0
137.02370	0.6
144.69424	0.3
149.00893	0.4
152.01135	2.9
163.04007	99.1
164.04340	4.9
167.03479	1.0
231.12149	0.3
311.86255	0.3
325.09296	14.1
326.09558	1.3
342.08313	0.3
399.09473	0.6
411.34930	0.3
461.48605	0.4
567.13586	1.3
684.89703	0.4
729.18970	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03439	0.5
58.00587	1.0
59.01382	51.3
61.98829	1.0
64.58974	0.4
69.40190	1.1
69.40607	2.7
71.01384	19.9
72.99316	1.2
73.02946	8.7
83.01385	3.1
83.04977	0.4
85.02953	3.8
87.00867	1.2
89.02448	11.3
89.02992	0.7
95.01392	2.2
98.19891	0.8
99.00867	0.6
101.01778	0.6
101.02447	10.9
104.75137	0.4
113.02455	6.1
119.03505	3.4
131.03519	0.7
135.04568	0.7
143.03537	0.7
161.04541	1.2
169.34363	0.4
179.05618	0.8
185.25131	0.4
197.99840	0.4
301.21750	1.0
307.45905	0.5
403.84512	0.4
430.49982	0.5
463.26947	1.5
481.27866	3.9
482.28690	0.7
505.28119	0.6
523.29126	100.0
524.29437	18.7
570.05530	0.5
729.37091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03450	1.8
58.00599	2.1
59.01382	73.2
61.98832	9.6
61.99648	1.0
66.91826	0.9
71.01384	34.1
72.99315	3.2
73.02946	11.6
83.01395	4.2
85.02953	13.1
87.00880	2.9
89.02447	19.9
95.01389	4.1
96.96023	1.7
99.00880	2.7
101.02447	19.9
102.98058	1.0
106.77496	1.0
108.50713	1.1
112.98786	1.9
113.02447	17.4
119.03510	8.0
121.02906	1.3
125.02441	1.2
134.06052	1.2
135.04507	2.7
143.03528	1.5
148.52011	0.9
149.01001	1.2
152.81679	1.2
153.07106	1.2
155.82291	0.9
161.04507	2.6
163.03944	1.1
203.18542	1.0
301.21912	1.4
303.69757	1.0
311.17136	1.0
323.67917	1.0
343.44714	1.2
463.26913	6.9
481.28024	52.8
482.28482	10.1
486.59006	1.1
523.29120	100.0
524.29572	19.3
709.34430	1.3
729.36182	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
57.03453	0.9
58.00575	0.8
59.01382	31.5
60.01688	0.4
61.98824	1.1
69.03450	0.4
69.44283	3.1
71.01388	15.3
72.59885	0.4
72.99300	0.9
73.02946	10.6
83.01377	3.3
85.02950	5.9
87.00881	0.7
89.02459	5.2
94.87587	0.4
95.01379	1.5
97.02891	0.4
99.00877	1.6
101.02447	12.9
111.00803	0.5
111.04520	0.7
113.02456	7.5
119.03474	2.0
120.08054	0.3
125.02415	0.6
131.03545	0.4
135.04500	0.4
143.03522	0.7
159.02992	0.4
161.04518	1.6
210.03291	0.4
222.91779	0.4
260.84546	0.4
279.24683	0.4
301.21722	7.7
302.22141	0.9
319.22864	0.5
463.26926	1.4
481.27957	6.1
482.28482	1.1
523.29108	100.0
524.29486	18.4
547.29034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54675	1.6
59.01089	3.5
59.01382	59.4
61.98833	15.7
64.61737	1.5
67.76990	1.8
69.44738	9.7
69.45156	3.6
71.01393	5.5
72.99320	1.6
73.02949	4.6
79.65292	1.6
80.05072	2.0
80.16539	1.8
85.02943	3.2
87.00874	3.3
89.02448	4.9
96.96017	3.6
98.20688	3.1
101.02456	3.7
101.61615	1.7
106.06651	8.2
107.03756	3.0
108.04549	2.5
108.50522	1.8
112.98793	3.0
113.02455	4.3
120.08196	26.3
121.03001	1.8
122.06122	45.1
124.88669	1.8
132.04524	2.1
133.02928	1.9
134.06119	49.8
135.04512	5.5
135.06477	2.6
136.07680	2.3
149.00926	3.8
152.07187	6.0
160.03941	2.6
164.36461	1.7
167.63055	1.6
174.05562	2.5
177.01624	2.0
178.02762	2.3
179.03468	3.9
190.05034	2.2
194.08284	1.8
223.08788	5.6
235.08781	2.5
236.09595	2.2
237.10181	8.0
238.11115	3.5
239.11934	4.0
249.10303	5.0
251.08212	2.6
251.11909	11.8
263.08264	6.9
263.11777	2.1
264.09018	12.0
265.09839	4.0
276.08978	2.3
277.09772	9.7
278.10504	5.7
279.11380	31.8
280.11826	4.9
289.09692	1.9
291.11362	16.2
292.11835	4.5
295.10977	2.1
305.09283	5.5
305.12811	5.3
307.10721	4.9
323.10391	4.6
337.11713	2.4
355.13132	2.7
370.15561	4.0
371.15921	2.6
384.17203	13.0
385.17822	5.9
386.18796	4.3
398.14624	2.8
398.19049	4.2
399.14417	3.2
399.19339	2.3
412.16611	2.0
413.16943	2.2
426.18268	12.1
427.18793	4.8
430.17459	2.7
431.18286	2.7
444.19540	8.2
470.17398	5.0
471.17795	5.1
481.28226	2.2
486.20245	11.3
487.20551	2.0
502.19992	5.2
523.28754	3.6
525.83405	2.0
530.19342	34.9
531.13617	2.0
531.20093	18.9
549.25055	7.5
562.21924	56.9
563.22284	11.6
567.25861	3.3
593.24365	10.9
594.24115	3.3
609.27240	29.2
610.27350	6.7
643.27448	1.7
653.26117	100.0
654.26447	22.5
685.28558	26.3
686.29022	6.7
729.36902	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	729.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19821	1.1
58.41872	1.1
69.57380	7.1
69.57793	3.0
75.46468	1.0
85.02958	1.6
95.01372	1.4
99.00887	1.1
108.02176	63.2
109.02981	21.5
121.02942	2.3
123.04521	11.7
135.04497	2.1
149.02402	1.7
149.99542	1.5
152.01151	100.0
153.01955	22.7
163.03955	3.1
167.03500	35.4
168.00656	1.5
168.03773	1.6
210.62070	1.1
399.09363	16.9
417.10410	6.5
441.10498	3.0
443.94473	1.2
567.13452	65.4
568.13824	12.2
582.02423	1.3
609.14398	4.5
688.23248	1.5
719.39429	1.4
729.18829	32.7
730.19061	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	729.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	4.5
59.01381	95.0
60.88681	1.5
61.14588	1.5
61.98829	11.4
69.44760	13.4
71.01369	5.5
72.99314	8.5
73.02951	2.5
85.02962	2.1
87.00878	56.1
89.02458	3.9
93.03459	5.4
96.96002	2.5
99.00883	2.3
101.02438	5.0
103.00375	38.5
108.02209	1.8
112.98808	17.0
113.02445	2.2
119.05028	3.2
121.02950	6.3
122.03759	11.0
123.04485	4.6
130.99857	11.3
134.03716	2.5
135.04515	8.9
136.01625	3.8
137.02423	3.0
143.03680	1.6
145.02870	2.1
146.03737	4.6
147.04552	3.1
149.01021	10.3
149.02443	17.3
149.06013	2.0
150.03224	82.4
150.06783	4.3
151.04031	13.4
161.02469	3.1
163.04005	2.8
164.04764	6.5
165.05574	81.9
166.05896	3.9
166.56360	1.8
177.01875	3.1
177.05499	1.8
178.02727	1.9
179.03502	4.0
179.07114	16.2
179.10721	2.1
180.04204	5.0
181.05052	11.6
191.03436	2.1
191.07071	2.9
193.04924	3.1
195.04773	2.2
195.06622	41.7
238.74872	1.7
279.06592	3.1
281.04431	2.6
282.05356	3.3
294.05255	2.8
297.07578	7.0
311.09006	2.2
312.09808	2.9
312.79492	1.6
323.05710	2.2
324.06201	2.5
325.06808	2.3
337.07169	9.5
338.07889	3.4
339.08676	8.0
341.06479	2.5
351.08502	2.4
352.09439	5.2
353.06638	12.2
355.08325	4.8
356.08975	6.7
357.09464	2.3
368.08865	6.7
369.09705	8.9
370.10516	6.3
371.11264	29.6
372.11569	3.0
383.11316	49.6
384.11810	5.1
399.10550	5.4
400.11288	2.8
401.12268	6.8
525.33984	2.2
527.98151	1.7
549.18036	1.9
553.20898	7.8
567.18835	5.0
597.19739	100.0
598.20074	21.0
729.40790	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	729.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20686	2.1
58.00582	5.2
59.01381	100.0
61.98814	5.9
64.25350	2.1
68.33940	2.3
69.49487	12.0
69.49895	5.3
71.01397	3.3
72.99312	8.0
80.28701	2.1
87.00872	57.4
99.58215	2.6
101.02435	3.2
103.00375	34.4
112.98797	11.1
121.02940	4.7
122.03742	9.2
130.99869	10.0
133.02942	3.6
135.04501	7.0
149.00896	9.1
149.02377	14.1
150.03232	59.1
151.03981	7.8
161.02440	2.5
163.03996	4.0
164.04755	4.1
165.05571	54.6
179.07115	5.7
180.04285	3.7
181.05064	6.1
191.03494	2.9
191.07057	3.6
195.04994	3.0
195.06644	29.6
239.40385	2.5
247.15031	2.2
267.10275	2.6
279.06479	3.8
282.05429	3.4
295.09726	4.0
296.06992	2.7
296.10541	4.4
297.07660	7.1
312.10019	3.4
337.07123	10.6
339.08566	2.5
341.06677	4.0
352.09561	8.1
353.06564	9.7
355.08112	3.0
356.09137	4.9
368.08978	5.5
369.09949	4.3
370.10315	5.1
371.11267	27.0
372.11612	3.5
373.12924	6.9
383.11301	46.0
384.11414	3.8
399.11261	2.6
519.16241	4.5
525.34442	3.3
543.69531	2.8
549.17554	31.1
550.17322	3.5
553.20966	11.9
567.18719	7.5
579.18378	3.8
597.19720	84.2
597.29376	4.0
598.20270	22.0
729.41534	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	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88443	0.4
57.03456	0.4
57.89824	0.4
59.01381	18.2
60.32537	0.4
61.98817	0.6
64.61978	0.4
71.01393	1.4
71.61786	0.5
73.02953	0.5
76.65531	0.4
82.22678	0.3
85.02917	0.5
87.00868	0.4
89.02456	1.6
89.64572	0.3
92.20886	0.4
101.02438	1.8
113.02454	1.2
125.09731	0.5
127.11261	0.9
153.09177	0.5
161.04524	1.1
171.10269	85.7
172.10616	5.3
189.38127	0.4
197.73433	0.5
235.08200	2.9
246.97694	0.3
253.09267	7.8
277.21719	100.0
278.22052	10.1
407.19305	0.9
513.30603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24754	1.8
51.51602	1.8
59.01372	3.5
60.10807	2.2
61.98835	21.4
69.26880	19.4
71.01375	4.8
78.95895	10.0
89.02440	1.9
98.20631	4.3
101.02486	4.2
113.02354	1.8
148.87605	1.9
165.12794	6.5
165.24988	1.8
171.10318	2.2
183.13904	50.8
209.11812	3.0
227.12842	4.0
240.72432	2.1
253.09265	5.3
255.23270	2.2
281.24847	100.0
282.25195	7.8
293.53589	2.3
295.22568	4.0
322.59500	2.0
540.53064	2.3
601.53198	2.5
727.46857	63.5
728.47113	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93034	0.3
57.03440	0.3
57.41433	0.3
57.64938	0.3
59.01378	4.3
61.98829	100.0
62.98523	0.3
69.03467	0.3
71.01386	2.3
71.62819	0.4
72.99352	0.4
73.02937	0.5
85.02975	0.5
87.00885	0.8
89.02419	0.5
96.95996	0.4
99.00884	0.4
101.02464	1.0
108.02227	0.4
109.02989	0.4
112.04046	3.0
112.98801	0.7
113.02442	0.7
116.92897	0.3
119.05026	0.5
122.06141	0.4
123.00937	0.4
123.04520	0.7
124.04025	2.3
125.02481	0.3
134.03703	0.3
135.04536	2.3
137.02422	1.6
139.03986	0.4
140.07170	1.1
145.02950	0.4
149.00931	0.8
149.02449	0.3
149.06056	0.3
150.03236	1.1
151.00351	2.4
151.04016	0.5
152.01076	0.3
152.04836	0.4
161.04561	0.4
163.04063	0.6
163.09938	0.3
165.05573	1.4
166.02725	9.9
166.04987	4.8
167.03468	1.2
170.20335	0.3
174.03233	0.3
175.04083	0.4
177.01936	0.6
177.05675	0.3
179.03580	0.7
181.05054	13.3
182.05472	1.0
184.06157	8.0
189.46992	0.3
193.05011	0.3
203.03482	0.2
210.07787	0.6
294.08743	0.3
316.55417	0.3
317.10403	0.7
318.10587	0.6
387.10849	2.4
402.13138	1.4
417.15533	30.4
418.15887	4.2
467.67673	0.3
480.16397	0.5
522.17090	0.3
561.25787	1.7
667.39502	0.5
684.38574	0.5
685.40717	0.4
726.44757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70544	3.3
59.01387	54.0
61.46701	3.8
61.98842	10.4
68.98138	3.2
70.84668	3.9
71.01398	7.6
71.62003	7.0
87.00855	4.5
89.02475	8.7
101.02453	7.6
106.06678	5.0
121.05357	3.8
122.06111	10.8
134.06142	23.8
152.06984	3.6
160.06517	4.9
161.04723	3.7
162.30762	4.4
174.05632	5.0
213.10310	32.3
220.73357	4.2
225.10359	4.5
239.11949	14.7
241.13545	13.2
246.61749	3.7
277.09854	5.6
285.12445	73.4
285.15314	6.5
286.12823	6.6
293.13062	8.5
293.21274	100.0
294.21689	7.2
305.09076	7.6
307.11017	4.5
332.17822	4.6
337.05716	4.4
358.15543	15.6
359.16208	4.2
365.11490	8.7
397.13629	44.3
398.14166	5.1
400.16696	12.1
412.16608	4.6
415.14575	50.0
416.14917	6.0
547.23981	19.8
565.25000	12.2
591.22296	5.1
607.25647	66.9
608.26233	17.7
651.24554	76.4
652.24817	21.1
683.27332	11.7
691.35425	17.0
692.35797	5.4
727.32861	45.4
728.33612	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	727.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61905	2.7
59.01382	41.7
61.98832	11.7
68.29098	3.0
71.01388	16.9
73.02943	3.5
75.00863	4.0
75.40654	2.6
78.50069	2.7
85.02969	6.8
87.00877	4.9
89.02439	8.5
97.03034	2.9
99.04552	3.4
101.02451	11.5
103.00384	3.0
112.98806	9.7
113.02450	4.9
150.84322	2.9
172.19000	3.0
195.13918	5.2
225.76758	3.0
238.27045	3.2
248.81161	2.6
275.20050	3.6
293.17868	4.9
293.21228	100.0
294.21545	8.6
372.10352	4.2
397.13409	41.5
415.14484	32.2
416.15094	5.6
448.38022	3.6
691.35278	12.7
727.32971	43.0
728.33679	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	727.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
57.03452	2.5
59.01381	53.9
60.32638	1.9
61.98832	23.8
66.54758	1.7
68.99839	4.4
69.03452	2.7
71.01389	35.0
72.99317	16.1
73.02947	13.7
75.00870	3.6
78.95943	2.0
82.86624	1.8
83.01392	7.6
84.99316	5.5
85.02956	15.6
87.00880	42.8
87.01424	2.1
88.98830	5.1
89.02463	9.9
93.03425	4.3
95.01428	2.4
96.96026	4.5
97.02930	2.3
98.19886	3.4
99.00879	7.8
99.04522	2.3
101.02442	18.6
103.00365	2.6
106.43404	1.8
108.02176	23.2
109.02954	7.3
111.00887	4.2
111.08122	1.8
112.98814	100.0
113.02453	15.1
113.99168	2.7
117.03482	12.4
119.03652	2.6
119.05032	56.6
120.05379	2.6
121.02969	8.1
124.01771	2.0
125.02364	2.4
127.00398	6.4
130.99866	2.1
131.05049	1.7
133.02956	3.2
134.03734	7.6
134.66127	1.9
135.04533	16.3
137.02437	4.6
137.09758	1.9
143.05032	2.7
145.02957	50.2
146.03410	1.9
147.04518	14.9
149.00943	7.1
149.02397	2.5
149.04642	2.2
149.06059	3.6
150.03261	3.3
150.06779	4.2
151.00409	1.9
152.01178	28.9
153.01935	5.3
155.75349	1.8
159.03032	2.3
159.04494	2.2
161.02463	4.9
161.04572	5.0
161.05969	2.7
163.04015	31.1
164.04428	2.5
165.05533	5.7
167.03561	2.0
171.10217	2.8
175.03969	14.2
176.37448	2.0
177.09209	2.5
178.02728	3.6
179.03528	9.4
179.05649	1.8
179.07121	2.6
179.10771	4.3
183.13979	1.9
189.05547	5.7
193.05046	4.4
203.03502	50.8
204.03789	3.3
209.11852	2.4
215.03532	8.6
216.03777	1.8
227.12785	2.2
233.04648	2.3
259.02475	3.6
269.21170	3.1
277.03534	90.6
278.03732	5.8
287.22324	32.2
288.22607	3.1
293.03122	3.2
303.21719	2.3
327.21658	3.1
329.23672	3.8
399.09610	3.2
431.26492	35.6
432.26639	2.0
447.26086	3.2
449.27585	72.4
449.33954	3.4
450.27759	9.9
463.29120	4.4
465.26999	10.4
473.27573	28.0
474.27771	5.0
479.33960	2.6
491.28793	5.4
545.25885	3.5
563.26837	11.2
577.26208	5.3
595.31281	24.9
596.31604	4.3
667.39941	5.6
668.40814	3.0
727.30750	30.5
728.32068	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	727.262
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25731	2.5
59.01382	99.0
61.98827	79.2
66.65319	2.4
71.01393	16.5
72.99278	3.2
73.02930	6.8
77.55201	3.1
80.05080	7.2
85.02947	9.0
87.00877	7.2
89.02458	8.8
93.03488	3.0
95.01322	2.7
96.96062	7.0
99.00852	5.0
101.02419	9.8
103.00359	4.6
106.06625	12.3
112.98789	14.1
113.02422	6.8
117.03453	3.2
119.03497	4.0
119.05053	3.4
121.02961	6.4
121.05310	4.2
122.06113	22.1
131.53119	2.7
133.02892	3.9
134.06123	57.5
135.04512	11.0
137.02408	6.4
148.04024	3.5
148.05247	5.5
149.00902	4.4
149.06021	3.4
152.07176	3.8
160.04138	3.6
160.06465	8.1
161.02432	5.3
161.04576	4.6
163.04012	3.2
163.07664	4.6
171.10152	3.1
174.05559	6.0
179.03467	8.9
183.13957	4.9
211.13347	4.3
213.10345	40.0
214.10570	3.8
223.08913	3.5
225.10382	4.0
226.11162	4.4
239.11894	30.6
240.12053	3.6
241.13417	21.5
249.10138	3.9
250.38019	2.5
251.11917	5.3
277.09772	9.8
285.12433	90.6
285.15591	4.3
286.12866	5.8
293.12973	11.3
295.10916	5.3
305.09381	7.5
307.11008	4.7
328.10846	6.4
337.11600	4.1
343.13269	7.3
355.12894	7.2
356.13666	5.8
357.14764	4.9
358.15607	35.0
359.15799	4.6
365.11337	12.2
367.12628	3.5
369.14352	3.0
370.11572	3.6
370.15640	4.0
384.13364	6.4
384.33688	3.0
397.13950	12.8
400.16641	17.5
401.17014	6.4
412.16501	4.7
415.87210	3.1
463.21899	3.5
491.21069	7.4
505.22403	6.2
505.34427	3.5
508.45648	3.2
523.29089	7.0
539.26593	6.3
547.23639	26.0
548.24011	6.5
565.24567	25.9
566.25012	5.7
591.22705	14.0
592.23181	4.5
607.25653	98.5
608.25946	25.0
609.23621	4.6
610.23865	13.0
623.24957	5.8
651.24554	100.0
652.24585	25.7
683.26935	31.0
683.36322	3.2
684.27435	8.9
727.38043	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	727.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16781	1.2
59.01380	51.8
61.98826	4.6
71.77064	1.3
73.02921	1.1
77.25591	1.0
80.05064	5.3
87.00832	1.0
88.14278	0.9
94.06567	1.1
98.20655	2.4
101.02437	1.4
104.05042	2.3
106.06628	10.6
107.06989	1.1
108.04556	1.4
112.98830	1.5
119.05005	1.4
120.04552	3.1
120.08197	3.5
121.05342	4.6
122.06126	19.9
130.06532	1.7
132.04514	1.7
134.06126	38.3
135.06441	1.3
146.06056	2.2
148.04016	1.6
152.07129	2.1
158.02431	1.2
160.04071	1.5
160.06421	9.2
161.04761	1.5
174.05595	4.7
190.05109	2.7
197.07256	1.7
211.08673	1.2
213.10344	44.9
214.10533	2.6
223.08664	2.6
225.10277	6.2
226.11110	4.7
227.11853	4.1
235.08612	1.1
236.09477	1.9
239.11861	23.7
240.12337	1.7
241.13452	24.1
242.13733	2.5
249.10291	2.6
251.11821	6.0
264.08746	1.3
267.11481	2.3
275.91010	1.3
277.09851	9.7
278.10413	2.3
279.11343	1.9
285.12439	95.3
286.12756	8.2
287.13943	2.5
293.09689	1.8
293.12927	10.5
294.13300	1.9
295.10916	5.1
305.09335	9.3
307.10785	4.7
309.12323	1.5
316.14383	1.7
321.12521	1.8
328.10901	3.6
328.14487	1.3
330.15955	1.2
337.11990	3.4
340.14557	2.8
342.12390	3.8
343.13287	2.7
344.13950	2.5
355.13037	5.7
356.13663	2.0
356.17606	1.6
357.14935	4.2
358.15585	22.0
359.15939	2.4
365.11499	10.4
366.11615	1.4
367.12878	1.5
368.13959	1.6
369.14523	2.3
370.11636	1.7
370.15887	2.1
382.15598	1.6
384.13300	5.2
385.14001	2.5
396.13525	1.5
397.14166	9.1
398.14688	2.0
399.15799	1.6
400.16660	17.9
401.16864	1.7
412.16794	7.3
416.12424	1.8
490.19498	1.2
491.20917	3.6
503.24658	1.8
505.22568	4.8
519.23840	1.8
539.26447	2.6
547.23468	22.3
548.23840	5.1
565.24493	20.3
566.24829	4.2
573.21332	1.6
579.24603	1.4
583.25360	2.3
591.22473	16.0
592.22650	2.5
607.25598	89.3
608.25903	24.1
609.23993	1.8
610.24274	4.0
611.25098	2.2
623.24512	3.1
651.24615	100.0
652.24884	26.9
683.27185	17.3
684.27496	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	727.194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03355	1.2
55.01874	2.1
57.03451	4.4
59.01091	2.4
59.01375	35.2
63.57747	1.0
67.01901	2.5
68.99798	1.5
69.03458	9.1
70.01614	5.5
70.01900	1.5
71.01382	18.6
72.99306	2.3
73.02944	12.3
81.03458	5.1
83.01389	5.1
83.05029	2.3
85.02470	0.9
85.02949	57.8
87.00875	100.0
89.02403	1.9
93.03455	6.0
95.01383	18.7
97.02948	28.4
98.19949	1.6
99.00880	2.4
99.04516	3.9
101.02453	2.8
103.00400	1.8
103.04012	9.4
109.02939	10.1
111.00863	7.6
111.04523	2.0
113.02451	18.2
115.00383	9.2
115.03938	1.2
119.05021	3.2
120.94144	1.2
121.02937	2.1
123.04515	2.3
125.02414	3.3
127.03997	11.7
129.01962	2.7
133.02939	1.8
135.04547	4.1
136.20064	1.1
137.02441	5.0
139.00381	14.2
145.05086	5.9
149.00894	2.0
155.03503	3.7
157.01430	9.2
163.04027	2.3
169.05060	2.7
171.03000	2.1
173.04591	3.0
175.02467	56.2
176.02855	2.0
176.63608	1.1
177.05566	1.1
179.03535	2.9
180.04047	1.3
181.01431	1.8
185.64954	1.3
199.02478	38.0
199.04338	2.0
200.02721	1.5
217.03517	20.3
220.62073	1.1
236.15120	1.2
241.03442	2.0
253.03464	2.4
284.12924	1.1
285.06183	2.9
303.07169	20.2
304.07419	1.1
321.08218	6.7
323.13318	2.8
339.07162	3.0
345.08234	9.2
346.08661	2.2
387.09308	16.0
388.09784	1.2
405.10269	5.0
459.47638	1.5
490.27960	1.4
563.12512	2.1
623.14777	6.8
673.14429	1.4
685.19196	2.6
709.18579	13.1
710.18744	2.9
727.19427	16.5
728.19904	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03444	6.2
59.01377	33.9
61.04827	1.2
67.01888	4.3
68.99805	2.1
69.03455	11.2
69.87723	1.2
70.50750	1.1
70.93267	2.7
70.97916	1.1
71.01382	20.2
72.99298	2.4
73.02944	12.0
81.03458	4.8
83.01396	5.3
83.05009	2.4
85.02953	58.2
86.03262	1.8
87.00876	100.0
88.01219	1.3
93.03461	6.1
95.01385	20.9
97.02956	27.0
98.01573	1.3
99.00874	2.7
99.04513	5.1
101.02408	2.4
103.04031	9.7
106.56734	1.3
108.02195	1.4
109.02941	9.2
111.00861	8.2
111.04504	1.4
113.02449	20.5
115.00359	11.8
115.04031	1.3
121.02944	1.6
123.04526	2.5
125.02446	1.8
127.04013	18.4
129.01938	3.0
135.04509	3.6
137.02431	4.8
137.03410	1.2
139.00372	16.3
141.05574	1.3
145.05064	7.3
153.01924	1.9
155.03493	3.6
157.01445	13.1
163.06052	1.3
169.05078	4.6
171.02937	2.7
173.04515	3.0
175.02475	58.3
179.03465	3.1
181.01418	2.4
199.02475	42.0
200.02786	1.8
217.03531	22.2
218.04088	1.9
241.03596	2.0
241.07074	1.6
285.06140	2.7
286.52417	1.2
301.05725	1.5
303.07172	19.4
321.08255	7.8
345.08228	10.0
387.09253	18.3
388.09750	2.2
405.10361	10.2
514.56030	1.4
563.12604	3.9
623.14893	7.2
685.18140	1.8
709.18439	15.5
710.18921	4.3
727.19611	22.7
728.19995	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05222	0.5
57.03449	2.2
59.01379	12.5
59.64468	0.6
71.01369	1.3
71.61693	1.0
72.99309	2.4
73.02950	0.8
75.64918	0.7
77.03985	1.6
77.28745	0.6
83.01400	0.7
84.99329	1.3
87.00873	10.0
89.02441	0.9
89.03999	1.1
93.03479	1.1
95.05034	5.3
97.02956	0.6
99.04514	1.2
101.02459	1.2
103.00378	5.8
105.03462	15.8
107.04996	1.2
108.02173	1.4
109.02950	2.8
111.00908	0.7
112.98811	23.7
113.99204	0.8
119.05003	1.0
121.02946	1.3
123.04539	2.7
125.02446	2.5
130.99867	2.5
132.02130	0.9
133.02957	94.6
134.03365	4.3
135.04526	73.5
136.04861	4.2
137.02443	2.5
145.02916	0.6
149.00923	3.7
149.02362	0.7
149.06079	0.9
151.03966	1.3
152.01178	2.0
153.01923	2.2
161.02428	5.1
163.04031	1.3
165.05507	0.7
166.62459	0.6
168.04312	1.0
175.04008	1.6
177.01927	69.1
178.02263	3.4
179.03491	100.0
180.03836	6.2
181.05223	0.6
193.05093	0.6
203.03490	0.9
219.02960	1.1
237.03889	0.9
263.05484	1.5
293.02963	2.1
294.03366	1.4
295.03690	0.8
309.02594	1.1
342.08777	0.6
343.10190	0.7
433.12402	0.9
504.42090	0.7
505.12216	0.6
551.13550	0.9
559.00366	0.7
565.22559	0.9
610.99359	0.8
727.20868	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	726.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
61.98833	100.0
78.95966	0.4
149.34589	0.3
151.00395	0.4
152.62650	0.2
171.10074	0.4
209.11844	0.4
213.22906	0.3
227.03368	0.3
243.02982	0.4
255.03014	0.6
256.03323	0.5
271.02606	1.1
272.02838	1.5
273.03088	1.3
274.03290	0.8
277.21887	0.6
278.22202	0.3
279.22565	0.3
300.02850	0.9
301.03198	1.7
302.03391	1.5
303.03833	1.0
726.31000	3.6
726.41235	0.4
727.31757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98828	0.6
71.01375	0.3
72.99323	0.2
73.48489	0.2
87.00879	0.9
89.70301	0.2
99.92587	11.7
100.92589	0.6
101.02460	0.3
105.03465	0.5
107.74850	0.2
109.02962	0.4
112.98798	0.6
116.92861	100.0
117.92873	5.6
119.05006	0.3
121.02968	0.3
123.04520	0.3
125.02437	0.5
133.02975	2.1
134.03741	0.6
135.04532	7.9
136.04890	0.5
137.02443	0.4
149.00934	0.6
151.00412	0.9
161.02460	1.2
163.04109	0.3
177.01909	1.1
178.99933	0.4
179.03499	11.7
180.03943	0.7
191.03517	0.3
219.03020	0.2
220.03311	0.3
221.04356	0.2
223.06059	0.3
225.10771	0.2
231.03136	0.2
243.03026	0.4
255.02887	1.1
271.02490	2.8
272.02954	0.3
280.60117	0.2
293.02939	0.3
300.02762	7.1
301.03445	3.0
302.03836	0.3
324.23108	0.2
416.56815	0.3
609.14569	11.5
610.14954	2.0
673.05035	0.2
709.06866	0.6
727.21320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.4
59.01088	0.9
59.01379	13.9
69.27451	2.0
69.27873	2.8
70.78682	0.5
71.01397	0.6
72.99306	1.9
73.02967	0.8
77.03963	1.0
87.00880	8.6
89.02495	0.5
93.03477	0.7
95.05022	1.8
99.92582	12.3
100.05991	0.5
100.92583	0.9
103.00379	7.9
105.03468	5.1
109.02944	1.4
109.82690	0.5
112.98801	4.6
116.92861	100.0
117.92887	6.2
118.41360	0.4
123.04513	1.0
130.99849	2.5
133.02960	29.3
134.03706	0.9
135.04530	20.7
136.04877	0.9
137.02446	1.1
149.00949	1.6
149.06030	0.6
150.02965	0.4
151.00356	1.1
161.02473	1.0
163.04042	0.6
167.03459	0.8
168.04257	1.1
177.01923	23.8
178.02498	1.7
179.03496	30.5
180.03838	1.3
213.81345	0.5
239.05748	0.7
243.02843	0.5
255.02998	1.4
268.42435	0.5
271.02499	2.4
293.02878	0.5
299.02130	0.5
300.02771	6.2
301.03375	1.7
306.79721	0.4
311.11255	0.5
505.13425	0.8
609.14618	8.7
610.15027	1.9
709.06982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4489
Annotation	Trungapeptin C
Peak:m/z	Relative Intensity
55.01875	1.1
59.01381	5.0
59.81115	1.0
61.98826	19.5
67.22761	1.2
69.76662	1.0
69.89953	1.3
71.01391	4.6
78.95891	9.1
79.95732	1.2
80.96505	3.4
89.02468	2.9
94.98082	1.1
96.96997	2.5
97.06608	1.5
101.02447	4.9
109.06485	1.1
111.08156	1.2
113.02480	2.9
114.29224	1.1
137.52019	1.2
152.99605	3.6
161.04559	1.5
165.12874	10.6
171.10266	8.1
183.13901	64.8
184.14214	3.5
199.69232	1.4
209.11760	5.5
227.12920	3.4
235.08263	2.7
241.01196	3.1
253.09221	6.1
255.23334	4.6
279.23282	100.0
280.23615	9.8
281.24792	4.7
354.27930	1.1
403.97360	1.2
445.21027	1.4
463.21857	2.0
725.45575	76.2
726.45953	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	725.448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86970	0.5
57.37545	0.6
59.01379	100.0
60.01710	1.5
61.98833	3.7
71.01387	2.2
78.95926	0.7
82.95428	0.5
85.02975	0.8
89.02463	1.2
94.44318	0.5
98.20655	1.7
98.30426	0.5
101.02451	1.4
113.02486	1.3
119.03520	0.6
121.02971	2.1
134.89482	1.5
209.04585	1.7
209.11919	1.5
210.12340	1.1
211.13562	0.7
221.77780	0.5
273.07675	2.6
277.21719	39.5
278.22040	5.4
279.22891	1.1
285.07556	1.3
291.23331	5.6
292.23724	0.5
301.21655	0.7
319.22806	2.2
329.66885	0.6
347.04941	0.5
545.01581	0.6
555.18768	1.2
641.23224	0.8
674.22455	1.0
725.30957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	48.9
61.98827	31.5
69.03461	3.7
71.01384	21.7
72.99310	6.6
73.02934	3.3
74.71819	2.8
85.02962	4.8
87.00881	7.6
89.02441	20.5
97.02950	6.9
99.00907	3.4
101.01878	3.2
101.02452	19.6
105.50283	2.7
113.02433	10.9
119.03510	6.1
125.02454	9.6
149.71687	3.0
161.04491	5.2
179.05624	4.7
201.42165	3.1
209.11928	4.7
235.08224	11.8
260.67416	3.1
267.23288	77.5
268.23611	6.8
293.21240	6.7
305.08716	5.3
323.10001	2.8
328.87634	3.2
397.13528	100.0
398.13794	7.2
415.14584	29.3
665.37805	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	725.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
58.30086	1.1
58.85342	0.9
59.01378	16.3
61.98829	13.1
63.02385	1.6
65.00321	20.5
66.63007	1.1
70.27179	5.1
71.01381	1.9
78.95934	1.2
83.01379	5.8
87.00874	1.7
101.02425	2.1
107.01385	23.4
109.02952	1.6
123.04517	5.5
125.02479	8.1
133.02940	5.0
135.04520	3.2
147.04427	1.2
149.02394	2.0
150.03217	5.0
151.00372	100.0
151.03983	8.5
152.00932	5.1
169.01421	2.9
175.04002	1.8
176.01111	1.3
178.99860	6.1
199.03989	3.7
201.01883	1.3
209.11815	19.0
210.12172	9.8
211.12338	1.8
227.12836	1.6
228.13113	1.6
241.05025	2.2
253.09099	2.3
271.02475	1.2
277.21719	18.1
278.22073	9.3
279.22552	2.1
285.04031	57.9
286.04614	7.3
301.03116	2.1
302.04132	2.0
303.04962	3.3
573.30365	1.5
599.28149	2.7
600.29492	1.5
694.28198	1.2
725.31061	9.1
726.31848	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03449	1.0
59.01095	0.6
59.01380	10.4
60.47850	0.4
61.98834	3.0
67.40542	0.4
69.03457	0.8
69.58045	0.5
69.98598	0.4
71.01385	6.4
71.62301	0.5
71.62698	0.5
72.99275	1.1
73.02950	1.6
83.01401	1.0
83.05019	0.5
84.99323	0.4
85.02951	3.9
87.00867	2.3
89.02457	3.4
93.03459	33.2
94.03797	1.1
96.96008	1.8
97.02929	0.7
97.06599	1.7
99.00890	1.4
99.04517	0.6
101.02448	3.9
108.04591	0.5
109.02940	0.8
111.86343	0.4
112.98809	4.5
113.02435	2.5
117.03497	0.5
119.03458	0.8
119.04991	2.1
121.02926	0.8
123.03263	2.6
123.04557	0.6
123.08164	0.6
125.02441	1.4
125.09730	0.6
126.03090	0.4
133.02954	0.5
133.05089	0.5
134.03752	0.8
135.04521	5.7
136.03990	0.5
136.04929	0.6
137.02443	100.0
138.02798	3.4
138.05614	12.4
143.03531	0.5
145.02937	1.1
149.00900	1.8
149.02235	0.4
150.03241	1.2
151.03993	0.6
152.03535	1.2
160.04019	0.8
161.02441	1.6
161.04503	1.1
163.04007	1.8
163.11337	0.6
164.03537	2.5
165.05562	1.2
167.03458	0.7
170.94374	0.5
171.10286	3.7
173.02406	0.4
175.03981	0.6
177.05569	0.5
179.03523	3.4
179.05650	0.9
183.13910	1.4
186.97061	0.4
193.12337	0.6
207.14122	0.5
211.13431	4.3
219.03006	0.9
221.11795	0.6
229.14487	2.5
239.12750	0.5
291.19763	0.5
293.03058	1.3
309.20804	0.5
327.21750	28.3
328.22000	2.0
397.13736	0.6
415.14548	8.0
431.20139	0.4
463.19360	0.5
501.23624	0.6
503.25085	0.5
561.25458	1.4
563.19128	0.6
580.36230	0.4
583.30890	0.6
636.87286	0.5
643.60004	0.5
665.37598	1.8
681.26984	4.9
682.27991	1.4
683.38690	1.1
725.36359	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86983	1.6
55.01877	3.5
57.03457	7.8
58.00604	3.4
59.01092	3.1
59.01380	58.6
59.58612	1.7
61.98827	17.1
69.03446	2.4
71.01382	57.7
71.62265	1.8
72.99279	3.6
73.02953	21.4
73.34464	1.4
75.00882	3.9
83.01409	9.2
84.99318	2.4
85.02950	24.5
87.00876	9.2
88.98828	2.0
89.02448	34.2
93.03463	5.1
95.01392	7.3
96.35583	1.6
96.96011	1.7
97.02945	4.3
97.06613	1.8
99.00888	33.8
99.04528	2.8
101.02445	33.7
103.00368	2.1
107.05042	4.8
109.02957	5.6
112.98819	26.3
113.02445	33.2
113.99120	1.5
116.92941	2.0
117.03470	22.2
118.03758	1.7
119.03500	6.0
119.05032	4.9
121.02995	3.5
123.04547	1.8
125.02475	8.1
131.03477	6.3
131.05022	2.7
133.02959	4.1
133.06602	5.2
134.03708	4.7
135.04521	24.3
136.01614	2.2
136.04855	1.7
137.02437	11.5
137.06062	2.2
138.05659	1.7
139.00340	1.7
139.03944	1.6
143.03481	4.3
145.02931	2.8
149.00877	4.8
149.02466	1.7
149.04550	16.0
149.06064	6.3
150.03188	10.0
151.04016	4.5
153.01884	3.3
159.03166	3.5
159.04500	17.1
160.01590	2.0
161.02434	6.4
161.04579	17.9
163.04010	6.3
163.07657	2.1
164.04779	4.5
165.05562	6.0
167.03598	1.7
171.10248	5.3
175.04001	3.6
176.04791	2.3
177.05577	10.0
179.03499	22.4
179.05611	3.6
179.07066	2.6
180.03983	2.8
181.05115	3.2
183.13908	6.0
184.10376	1.5
189.12857	3.5
191.05600	13.2
191.07182	6.8
193.05023	2.1
203.01767	2.7
203.03513	24.6
205.08734	12.4
209.11728	2.1
211.13445	12.2
219.03096	3.3
221.04521	6.5
229.14432	5.2
233.06606	6.1
239.05696	3.4
267.03046	3.5
267.12338	1.6
268.03577	1.7
269.10226	7.2
269.12857	2.5
293.02979	6.5
293.08755	4.2
311.09595	2.4
327.21744	75.5
328.22241	7.3
337.09329	12.9
357.13541	13.4
383.11417	1.9
401.16406	3.8
415.14618	21.8
431.18323	2.4
449.13046	5.1
455.19287	14.1
456.19522	2.1
503.24985	100.0
504.25385	12.0
563.17395	12.1
564.18048	2.1
593.27881	4.9
625.15015	1.8
665.37219	7.4
681.27026	2.8
683.38452	4.5
725.21094	2.5
725.40942	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	725.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96189	2.2
59.01381	100.0
61.98836	9.3
65.18308	2.1
67.15828	2.9
70.54996	2.6
71.01380	5.6
95.77284	2.4
98.19875	10.8
101.02417	2.3
103.00342	2.4
106.06596	13.8
112.98846	3.6
113.02487	3.5
122.06145	10.4
131.17673	2.6
134.06131	68.8
135.04533	4.1
135.06479	3.5
152.07175	8.8
163.07649	6.4
188.16037	2.6
196.51175	2.6
197.11810	3.1
230.39754	2.8
354.12460	4.9
366.12848	3.2
367.09387	6.1
368.10284	4.4
368.14197	3.4
370.15561	14.5
382.11990	9.6
383.12659	10.3
395.13019	3.3
396.13254	4.3
398.15024	39.1
399.15424	6.1
410.15042	19.3
411.15408	3.8
424.16656	4.6
429.17136	3.0
430.17505	6.2
446.49393	2.7
477.35406	3.2
487.17572	3.2
488.97275	2.8
501.19104	3.6
515.17969	3.0
517.22394	7.0
529.19073	5.1
530.19336	5.3
545.21924	33.1
546.21661	6.1
577.24493	21.3
578.25000	6.7
589.20477	3.6
595.26740	3.1
605.14368	4.4
605.24060	69.3
606.24738	20.3
637.26886	32.4
638.27045	6.0
639.24634	4.8
649.23071	89.2
650.23297	17.2
681.25476	38.5
682.26025	6.8
737.68298	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	725.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
57.07755	1.8
58.00595	4.0
59.01383	95.8
61.31904	1.5
70.60686	1.5
71.01383	5.3
71.61270	2.0
72.99311	5.6
87.00880	59.7
96.96036	3.6
101.02476	2.4
103.00381	73.6
108.23364	1.4
109.02916	3.2
112.98782	3.2
116.92857	3.1
119.05036	5.0
121.02955	85.9
122.03305	2.3
125.02419	2.8
130.99875	63.4
132.00174	1.9
135.04549	11.1
137.02470	1.6
149.00935	4.5
152.01161	3.7
154.18935	2.0
158.96497	1.6
161.02437	4.1
163.04004	5.8
175.04059	3.0
177.01959	3.6
177.05551	1.7
179.03506	4.6
237.03960	2.1
244.15218	1.8
253.03555	100.0
254.03891	6.1
293.02997	2.5
341.08899	4.7
563.15381	3.3
594.05768	1.8
640.76044	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	725.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	2.1
57.03450	32.0
58.17090	1.2
59.01387	11.8
61.98815	3.6
69.03459	1.3
71.01378	5.3
72.99303	1.8
73.02943	1.4
83.01390	7.9
83.54659	1.2
84.99314	2.6
87.00875	18.3
88.98797	2.8
95.01396	1.4
97.02955	7.9
99.04526	21.8
101.02458	9.1
109.02947	11.0
111.00885	2.1
112.98806	33.7
113.02428	2.1
116.92818	1.8
119.05033	1.6
121.03024	1.5
123.04533	1.6
125.02448	50.6
127.00359	12.6
130.40834	1.2
130.99863	4.9
133.02965	12.0
134.03723	4.6
135.04523	72.5
136.04836	3.1
137.02443	12.0
139.00359	12.2
143.03445	3.8
145.03011	1.8
147.04538	2.7
149.00909	5.6
149.02461	1.3
149.05991	2.9
154.99850	2.4
159.04489	3.5
161.02443	33.2
161.04506	2.7
163.04002	15.3
173.02409	1.9
175.04007	1.9
177.04068	1.4
177.05579	4.0
179.03488	35.4
187.68138	1.3
191.03497	12.8
202.31425	1.3
203.05447	2.7
205.05017	2.6
219.02997	55.2
220.03285	2.3
221.04604	3.0
231.02928	9.5
243.08823	1.6
275.02020	6.1
293.03018	100.0
294.03293	7.5
329.08600	3.2
369.11649	1.3
371.09927	2.5
392.57147	1.5
413.11020	1.7
431.11902	36.5
431.17645	2.7
432.12274	2.3
477.09866	1.7
549.28815	1.5
563.12720	6.7
725.40991	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79308	0.6
59.01380	1.3
61.98835	100.0
69.56801	3.3
75.44654	0.6
78.95911	6.0
79.95733	0.5
80.96536	1.9
89.48565	0.5
90.20227	0.5
96.96975	0.7
98.20596	1.1
152.99614	2.4
171.10246	4.2
209.11940	1.0
210.12146	0.7
241.01236	1.6
255.23326	3.4
724.40912	0.6
725.38135	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19638	0.9
57.03449	33.9
59.01378	11.6
61.79403	1.0
62.50250	1.0
68.99813	2.6
69.03458	1.8
69.56252	5.1
69.56661	1.7
71.01379	5.3
72.99302	2.8
73.02956	2.1
76.67346	1.0
81.03448	1.6
83.01394	12.0
84.99322	2.8
85.02971	1.2
87.00880	16.4
95.01392	1.1
97.02953	7.6
98.03355	1.2
98.19910	2.1
99.00888	1.1
99.04517	26.6
100.04887	1.2
101.02450	10.4
107.05010	2.8
109.02959	11.1
111.00868	2.3
112.98806	31.0
113.02486	1.4
117.03454	1.1
121.02944	2.4
125.02446	59.1
126.02789	1.6
127.00378	13.9
130.99872	3.0
132.02145	1.0
132.22443	1.0
133.02945	11.5
134.03711	3.7
135.04524	100.0
136.04898	4.7
137.02443	10.7
139.00369	9.0
143.03467	4.5
145.02910	2.8
147.04507	1.7
149.00931	3.0
149.02441	2.4
149.06094	1.9
151.03960	2.1
154.99847	2.4
159.04518	2.6
161.02446	33.7
161.04570	2.5
162.02843	1.3
163.04010	19.8
164.04359	1.9
173.02415	3.3
175.03932	1.4
177.05545	3.2
179.03494	51.3
180.03839	3.0
181.48303	1.0
185.04547	1.4
187.03944	1.9
191.03493	10.7
192.03731	1.0
203.05617	2.3
205.05028	3.0
219.02977	53.0
220.03346	3.8
221.04497	1.5
230.26035	0.9
231.02936	8.1
243.08662	2.0
245.06725	2.3
275.02017	5.7
293.03024	92.8
294.03412	7.3
329.08817	5.8
330.09189	1.2
369.11984	1.7
371.09747	2.4
431.11926	62.0
432.12384	7.0
563.12585	12.5
564.12787	2.3
728.08752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47462	0.2
55.07831	0.2
59.01379	3.3
60.01700	0.2
61.98830	100.0
62.98526	0.2
71.01398	0.5
78.95910	0.2
89.02491	0.2
98.20674	0.2
101.02481	0.2
101.67525	0.2
113.02434	0.2
113.54710	0.1
128.91446	0.1
130.42700	0.2
133.28606	0.2
135.04553	0.3
136.66191	0.2
179.03590	0.2
197.11850	0.2
203.47861	0.2
204.32640	0.2
216.42627	0.2
293.21228	0.2
620.42609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71376	0.1
57.03446	0.2
57.75124	0.1
59.01380	2.6
61.98829	100.0
71.01381	1.1
71.61891	0.2
72.99300	0.2
73.02952	0.4
75.00900	0.2
85.02959	0.4
87.00902	0.6
88.98806	0.2
89.02445	0.4
99.00879	0.3
101.02436	0.6
109.02968	0.2
112.98827	0.7
113.02433	0.7
116.81628	0.1
121.02989	0.2
122.02503	0.3
124.01657	0.2
125.02460	0.2
133.02979	0.2
134.03743	0.2
135.04539	0.6
137.02461	0.2
149.00926	0.4
152.01151	0.1
161.02473	0.3
161.04572	0.2
163.04015	0.2
171.10258	0.7
179.03488	0.4
179.07109	0.2
193.05064	0.2
193.08746	0.5
194.09163	0.2
211.47447	0.1
226.43169	0.2
227.12979	0.2
282.05417	0.3
309.04117	0.2
310.04468	0.3
311.04700	0.2
327.21881	0.3
351.76138	0.2
351.86343	0.1
352.09503	0.3
353.10086	0.3
354.10321	0.2
364.77744	0.2
367.11871	0.6
368.12296	0.7
369.12512	0.4
370.12732	0.4
399.14578	0.2
400.14929	0.4
402.73630	0.2
415.14493	0.2
476.20667	0.2
637.37085	0.2
704.38330	0.2
725.37878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59124	0.6
54.30298	0.7
57.03440	1.2
58.61778	0.6
59.01381	100.0
60.01724	1.7
61.98835	5.7
64.67937	0.6
71.01379	8.0
72.99332	1.6
73.02965	3.2
78.95898	0.7
80.96478	0.7
83.01402	1.4
85.02934	4.6
87.00893	2.8
88.20942	0.7
88.98831	0.9
89.02461	1.6
95.01416	0.8
97.34799	0.7
99.00898	1.4
99.04521	0.9
101.02457	5.0
108.02178	0.7
112.98829	2.1
113.02462	3.9
119.05037	2.0
121.02976	1.6
123.04534	1.2
125.09743	1.8
127.65495	0.7
133.02974	0.9
135.04570	2.1
136.49974	0.7
137.02429	0.7
143.03479	1.0
145.03073	0.9
147.04518	0.8
148.87910	0.6
149.00972	1.1
149.02412	0.8
156.31479	0.6
159.34756	0.6
161.04614	1.0
163.03990	1.6
165.05594	0.9
167.03497	3.6
171.10271	1.2
179.03546	1.5
193.05157	1.2
201.11284	0.8
209.11755	0.9
214.10030	0.7
220.22432	0.7
231.53452	0.7
291.23541	0.8
348.95233	0.7
509.25555	0.7
544.19348	1.0
547.34802	0.9
561.38098	5.1
562.38385	1.0
579.39569	1.7
601.41479	2.4
619.42383	7.4
620.42590	1.6
621.40320	1.0
637.43683	2.7
679.44818	1.5
723.40131	1.0
724.36102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04288	1.0
57.03440	3.3
59.01379	100.0
60.01713	2.0
61.98843	8.6
62.56197	1.0
71.01385	8.7
71.61640	0.9
72.72527	1.1
72.99305	1.3
73.02954	4.3
78.95917	1.8
81.99998	0.9
83.01389	2.2
83.05023	3.5
85.02950	4.3
87.00866	2.5
88.98794	2.1
89.02431	1.8
96.95985	1.4
97.06559	1.0
99.00880	1.4
101.02445	5.8
112.98852	4.8
113.02431	4.2
119.05026	1.4
121.02939	3.5
125.09655	1.0
134.03720	1.6
135.04491	2.5
145.02913	1.3
151.03868	1.0
159.03053	1.1
161.04575	2.6
163.04012	1.7
163.07585	1.1
165.05592	1.2
171.10310	1.4
175.04016	1.2
177.01935	1.1
179.03474	1.6
181.05072	1.5
209.11861	1.2
211.13438	1.6
240.55856	1.1
281.78131	1.0
453.28400	3.5
561.37756	3.2
601.41077	1.5
619.41925	7.4
620.42603	1.3
637.42999	2.9
679.44012	2.8
740.23480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02932	0.5
58.00621	0.7
59.01380	20.3
59.14851	0.5
61.98830	3.4
70.02950	2.4
71.01369	3.4
73.02958	0.8
80.02719	0.6
81.03470	0.9
83.01406	0.6
83.05024	4.2
85.02972	1.1
89.02433	2.0
99.00925	0.7
101.02454	3.0
104.66026	0.5
113.02479	1.8
119.03518	0.7
123.19920	0.5
125.06094	0.5
135.08153	0.6
140.58798	0.5
161.04607	1.1
163.11243	3.4
165.12842	2.3
176.45604	0.5
179.05656	0.8
181.12282	1.1
189.03194	0.5
191.10785	0.7
199.13388	2.2
207.10332	1.0
209.11832	100.0
210.12164	5.8
211.13272	0.7
225.11353	0.6
227.12900	17.3
228.13170	1.3
235.08278	3.9
253.09279	9.3
254.09995	0.7
271.02457	1.7
275.20236	0.6
277.21716	88.3
278.22070	11.5
278.24878	0.4
293.21243	0.7
300.02814	1.6
445.20935	1.0
463.21851	1.6
519.16650	0.6
553.15686	0.6
723.29694	1.1
723.42334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4327
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
58.44938	0.8
59.01383	8.5
61.98834	10.0
71.01384	6.3
73.02950	1.1
75.00873	2.3
78.95883	1.6
85.02930	1.7
86.09443	0.9
87.00865	1.1
89.02448	3.2
97.06602	0.9
101.02431	5.1
111.08155	1.0
113.02438	2.6
135.21312	0.7
152.99533	1.9
161.04526	2.0
165.12833	10.7
181.90468	0.8
183.13911	100.0
184.14247	4.7
204.58211	0.9
209.11847	5.8
225.11324	2.6
227.12910	6.3
235.08202	4.6
253.09325	5.8
277.21716	71.3
278.22034	8.7
279.23230	2.0
403.19122	0.8
445.20914	2.2
463.21780	3.3
537.43341	1.1
656.08868	1.0
723.43256	72.5
724.43646	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	723.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00548	0.6
58.56926	0.6
59.01379	12.0
61.98840	3.6
63.02410	1.1
65.00333	2.0
71.01389	2.9
71.62292	1.2
80.54027	0.8
81.03458	0.8
83.01383	2.1
83.05032	2.9
85.02973	0.8
87.00875	0.7
89.02441	2.1
91.01944	0.8
101.02434	2.4
107.01389	2.6
108.02164	1.2
108.18282	0.6
109.02921	1.2
113.02489	1.8
119.08884	0.6
121.02966	1.3
125.02379	0.9
135.00900	1.6
148.01698	1.2
151.00369	9.1
152.80934	0.6
161.04567	0.9
163.00389	2.8
163.11287	2.4
164.01080	1.1
165.12860	1.7
169.01489	1.2
172.53746	0.6
178.99863	3.9
181.12402	0.8
183.13898	1.0
198.03151	0.9
199.04004	2.1
199.13318	1.1
201.01778	1.0
207.10300	2.3
208.10524	0.8
209.11833	60.3
210.12189	3.4
211.03973	1.1
211.13266	1.4
213.01907	0.7
215.03564	1.3
225.11278	1.2
226.02684	5.0
227.03526	5.4
227.12906	12.3
228.04117	0.7
235.08176	3.2
243.02969	18.4
244.03429	1.6
253.09265	8.2
254.02196	5.8
255.02969	28.3
256.03394	2.0
271.02466	90.0
272.02875	9.8
277.21704	75.1
278.22037	8.2
299.01865	1.4
300.02740	100.0
301.03424	32.7
302.03809	1.8
343.04678	1.3
463.08856	4.0
463.21902	0.7
474.45602	0.7
545.05267	0.7
599.57733	0.8
631.19678	0.8
723.30182	79.4
723.40863	3.0
724.30389	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	723.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38216	2.1
59.01094	4.6
59.01380	79.4
61.98832	20.6
63.69968	2.3
69.03471	3.1
71.01384	31.2
71.61966	2.5
73.02939	4.3
78.95903	10.7
82.19027	2.2
83.01351	3.9
84.24589	2.1
85.02932	6.8
87.00879	7.2
89.02458	23.7
97.02961	4.3
101.02440	20.3
113.02441	10.1
119.03524	6.8
121.00500	2.4
124.79230	2.3
125.02422	8.2
140.93973	2.2
143.03523	4.5
161.04494	8.0
171.10323	3.9
179.05548	5.0
195.10263	4.6
209.11850	9.2
211.13332	3.9
235.08159	9.8
253.09206	3.2
265.21704	82.1
266.22079	7.0
277.21646	5.2
285.64670	2.3
287.07550	4.1
293.21130	8.4
305.08737	2.9
323.10089	2.5
383.11493	2.5
397.13470	100.0
398.13858	10.1
415.14606	28.9
416.14957	3.8
436.76645	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	723.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	54.9
60.01702	0.9
61.98829	1.2
63.02399	0.6
65.00012	0.4
65.00305	1.8
71.01379	1.3
78.95894	0.5
83.01402	1.4
83.05031	1.7
89.02473	0.7
91.01910	0.4
93.03487	0.5
101.02457	0.9
107.01385	4.0
108.02187	1.6
109.02960	1.1
113.02496	0.4
119.01360	0.4
121.02973	1.7
124.01703	0.4
125.02429	0.9
133.02980	0.5
135.00862	1.4
139.18362	0.4
148.01683	1.4
149.02592	0.4
151.00371	11.3
152.00816	0.8
159.87311	0.4
161.04532	0.9
163.00394	3.1
163.11319	1.4
164.01082	0.5
165.01813	0.5
165.12886	0.6
169.01456	0.9
174.03258	0.5
178.99854	5.4
183.04559	0.5
187.04054	0.5
188.04863	0.5
190.99818	0.5
192.00616	0.6
193.01442	0.7
198.03218	1.2
199.03989	2.0
200.04742	0.7
201.01984	0.9
203.03456	1.1
207.10275	0.5
209.11827	40.1
210.12128	1.9
211.03937	1.2
211.13353	0.9
215.03519	1.0
216.04233	1.0
223.13358	0.7
225.11266	0.5
226.02727	6.3
227.03474	6.1
227.12946	3.6
228.04021	0.9
235.08221	0.9
243.02977	23.0
244.03307	1.5
245.04546	0.7
253.09258	3.0
254.02190	6.4
255.02974	26.2
256.03366	3.2
271.02466	100.0
272.02917	10.1
273.04013	1.3
277.21713	35.0
278.22061	3.8
283.02551	0.9
293.21085	0.9
299.02032	1.2
300.02747	95.8
301.03448	41.2
302.03882	2.3
343.04465	0.7
463.08823	2.4
560.01953	0.4
723.30212	86.9
724.30493	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	723.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72831	0.6
57.03450	1.1
59.01379	5.8
61.98837	1.5
68.99767	0.6
69.03458	0.8
71.01371	2.9
72.99298	0.9
74.02465	0.6
83.01397	1.8
87.00867	2.0
89.02422	1.1
92.34710	0.6
96.95972	0.8
99.00863	1.7
101.02416	1.6
105.03468	0.9
107.05032	1.4
109.02972	8.1
111.00878	0.9
112.98795	2.5
113.02442	1.3
119.05006	1.8
121.02942	1.0
123.04498	0.8
125.02448	5.5
131.05002	0.7
133.02975	5.3
133.06610	0.8
134.03648	0.9
135.04526	7.7
137.02457	1.6
145.02960	1.0
146.03696	1.0
147.04521	9.5
148.05333	6.9
149.00917	1.3
149.02347	0.7
149.04848	1.3
149.06087	21.9
159.04510	2.7
161.02441	4.7
161.06091	8.7
162.03358	0.9
162.06436	1.0
163.03963	3.1
163.07663	1.2
165.05612	1.2
167.03497	0.8
172.05275	0.6
173.06088	3.5
174.03159	1.6
175.04028	12.0
175.07616	0.9
176.04837	3.0
177.01915	3.6
177.05505	3.3
179.03500	3.4
185.04509	2.2
185.06023	0.9
187.97588	0.6
189.03944	1.3
189.05582	16.9
189.07303	1.1
190.05899	0.9
191.03471	2.6
191.07135	8.9
193.05090	3.8
203.03575	1.8
203.07111	4.6
205.05034	3.9
207.06638	1.3
217.05058	15.7
218.05446	1.0
219.02979	7.5
220.03531	0.9
221.04636	4.1
223.13297	1.7
235.06113	11.7
236.06531	0.9
237.04051	7.9
245.09279	1.2
247.06125	1.3
251.09210	1.1
267.12219	0.9
277.07199	2.8
279.05093	6.3
280.05481	0.8
295.08249	6.7
300.02545	0.8
339.07190	100.0
340.07532	9.8
340.86856	0.8
429.17657	0.9
441.10205	0.8
442.58026	0.8
501.12515	38.3
502.12894	5.2
543.13202	1.3
551.25232	0.7
591.23834	1.7
723.17322	7.7
724.17859	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
58.00597	4.5
59.01381	100.0
61.98833	8.1
69.76894	6.6
71.01385	5.0
72.99309	7.0
73.02962	2.7
74.76816	1.3
83.01391	1.8
85.02921	2.1
87.00879	40.6
88.98767	1.3
89.02434	1.9
97.06578	2.2
99.83521	1.0
101.02458	2.5
103.00377	63.0
112.98804	12.4
113.02421	2.1
115.15511	1.3
117.03469	1.7
119.04999	4.6
121.02939	2.1
127.13490	1.3
130.99869	43.5
133.02979	9.7
133.77881	1.3
134.03752	41.5
135.04561	13.9
137.02419	5.4
145.02945	3.6
147.04504	1.4
148.10890	1.1
149.00916	4.0
149.06093	2.3
157.87347	1.1
161.02454	6.5
161.04543	1.4
162.03230	17.2
163.03961	3.6
167.03473	1.8
171.10274	1.3
175.03996	1.9
177.01947	9.8
177.05563	1.5
178.02711	15.2
179.03505	9.0
193.05060	5.2
209.11852	2.9
219.03032	1.5
221.04527	2.7
225.11420	1.9
231.10265	3.4
235.35054	1.1
275.09250	68.3
276.09589	7.1
293.02985	2.7
407.09802	32.8
408.10388	3.8
455.43610	1.1
481.72495	1.3
519.32111	2.3
547.31555	2.1
561.33197	1.6
723.34747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39202	0.6
51.23162	0.6
55.01883	0.7
58.00593	0.5
59.01378	23.8
61.98829	2.4
61.99119	0.6
62.68911	0.8
69.03455	0.7
71.01381	7.7
71.05051	1.0
72.99319	1.7
73.02949	2.7
78.95939	0.7
81.03443	1.1
83.01405	1.1
83.05042	2.1
85.02953	1.9
87.00874	2.0
89.02446	5.5
95.01390	1.8
95.05033	4.7
97.02956	4.6
98.36446	0.6
99.04520	0.7
99.92602	0.6
101.02441	7.9
109.02971	1.1
109.06589	13.6
110.03732	1.8
111.04538	1.4
113.02474	3.6
114.49743	0.5
118.67588	0.6
119.03542	0.9
119.53754	0.6
121.06628	0.9
123.04563	0.7
123.08168	0.6
125.06120	0.7
125.09714	1.1
127.07575	0.6
130.43803	0.5
135.08176	2.0
136.05292	0.7
142.02698	1.1
143.03455	0.7
145.05077	1.8
145.10255	1.1
161.04556	3.5
161.09673	1.8
163.09982	0.4
163.11272	12.4
163.12520	1.1
171.10350	0.7
179.05609	1.6
179.10811	2.0
181.12315	2.7
182.68004	0.5
189.09195	4.8
189.24921	0.6
192.07968	0.6
197.11801	1.5
207.10254	52.3
208.10628	4.1
209.11800	1.0
225.11310	94.0
226.11652	6.4
229.28392	0.8
235.08206	8.7
253.09265	13.2
259.20779	0.8
277.21704	100.0
278.22037	9.7
279.23187	0.8
299.14908	1.0
304.78387	0.6
373.82953	0.7
443.19135	9.1
444.19211	1.3
461.20300	16.9
462.20511	2.0
703.40649	0.8
721.41608	20.3
722.41919	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	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.42708	0.9
59.01096	1.4
59.01378	27.8
61.98816	1.8
65.29049	0.8
71.01377	7.7
73.02915	1.2
80.02676	1.3
81.03449	1.9
83.01388	1.2
83.05013	2.1
85.02969	2.6
87.00872	1.6
89.02431	5.8
95.05015	2.5
97.02941	6.1
99.00877	1.8
101.02448	8.3
106.04213	1.3
108.70390	0.9
109.05870	2.0
109.06586	33.8
110.03749	1.7
110.06945	1.3
110.10181	0.9
113.02422	4.0
116.92864	0.9
119.03508	2.3
121.06610	1.9
133.94411	0.9
135.08150	4.3
136.05284	1.2
142.02742	2.1
143.03470	1.4
145.10219	1.4
161.04523	2.9
161.09743	3.5
163.11301	19.1
164.11542	1.8
179.05557	1.9
179.10634	2.0
181.12329	6.2
189.09261	7.1
207.10258	96.9
208.10590	6.1
209.11832	2.0
225.11307	99.3
226.11671	5.8
235.08188	3.9
243.12445	1.0
253.09300	16.3
254.09557	1.0
275.20251	1.0
277.21713	100.0
278.22089	8.0
423.33118	1.2
441.33835	1.0
443.19235	10.1
461.20279	24.9
462.20554	2.8
552.02393	0.9
721.41699	37.5
722.42072	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	721.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
57.03450	1.8
58.00582	2.3
59.01380	100.0
59.23629	1.4
61.98824	5.6
69.03457	2.4
69.52837	8.7
71.01382	32.5
72.99300	2.7
73.02947	10.1
76.77462	1.2
78.95904	2.9
83.01373	3.9
85.02953	7.9
87.00874	5.6
89.02454	23.0
95.01421	2.4
97.02952	4.4
99.00880	2.4
101.02448	26.1
113.02448	19.6
119.03492	4.2
121.02942	2.9
123.37261	1.4
125.02457	8.8
143.03485	4.2
149.04594	1.8
161.04562	6.7
171.03036	1.7
179.05591	4.4
203.72459	1.2
209.11761	1.5
224.65640	1.3
235.08313	9.2
253.09386	2.0
263.20151	48.3
264.20532	3.9
287.07693	2.9
305.08600	4.3
313.46558	1.4
397.13507	76.0
398.13925	8.6
415.14615	22.1
416.14859	2.3
437.34015	3.7
599.39063	1.8
607.08417	1.5
617.40271	3.8
635.41376	2.1
651.72681	1.6
661.34857	2.5
677.42615	10.8
737.08850	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	1.5
59.01382	21.8
61.98830	2.3
71.01369	3.2
71.50712	1.2
73.02946	1.5
73.83513	0.9
84.17193	0.8
85.02967	1.2
87.00887	1.3
89.02464	0.8
95.04982	0.8
97.02964	1.2
101.02465	1.9
101.27348	0.9
109.06624	1.2
113.02451	1.1
131.94685	0.7
152.99602	0.9
161.04605	1.2
163.11290	2.4
171.55933	0.7
179.10735	1.0
187.84373	0.8
189.09123	0.9
207.10255	6.9
224.69160	0.7
225.11368	8.1
233.22853	0.8
235.08235	1.4
253.09229	1.8
277.21744	100.0
278.22086	10.4
362.72852	0.9
383.13641	1.5
401.14703	4.5
443.19281	1.3
456.53931	1.0
461.20181	2.0
462.20209	0.9
721.42096	3.4
722.41254	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03447	0.8
57.47748	0.4
59.01384	100.0
60.01720	1.5
61.98840	1.3
65.69255	0.4
71.01386	7.0
73.02937	2.4
75.00909	0.4
75.35351	0.4
83.01406	0.9
85.02954	3.6
87.00870	1.0
88.98814	0.8
89.02467	1.0
96.82402	0.5
98.19805	1.0
99.00903	1.1
101.02452	5.2
113.02436	3.0
115.29366	0.5
129.10924	0.5
152.22318	0.4
159.03104	0.5
161.04543	2.2
168.95297	0.5
181.12566	0.4
183.13786	0.5
291.23257	0.8
323.22421	1.3
345.17511	0.5
352.13687	0.5
392.46078	0.4
397.13617	0.9
400.16690	0.4
415.14636	0.8
435.27844	1.2
453.28760	2.9
454.29538	0.6
465.66925	0.6
495.29788	0.6
617.40686	1.3
619.27301	0.5
635.41760	3.1
677.42865	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	721.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01782	0.4
53.65675	0.3
57.03424	0.4
59.01379	100.0
60.01715	1.2
61.98837	1.3
66.96854	0.3
69.58569	1.6
69.58990	1.5
71.01384	9.9
72.99314	0.6
73.02945	3.2
83.01389	1.5
85.02952	3.7
87.00882	0.9
89.02456	3.3
95.01432	0.6
99.00925	0.7
101.02438	5.4
113.02447	3.9
119.03527	1.4
121.02977	0.6
135.04483	0.4
143.03487	0.6
150.03139	0.4
161.04552	2.2
179.05717	0.6
183.06203	0.4
216.19186	0.4
239.39775	0.4
255.10413	0.4
437.34439	1.4
617.40234	2.3
618.40900	0.4
619.42627	0.5
635.41388	5.6
636.42169	1.0
639.51471	0.4
661.42657	0.7
677.42609	12.2
677.53314	0.6
678.43018	2.8
732.66870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53590	0.3
59.01381	8.5
61.98834	2.0
71.01382	18.0
71.61886	0.4
72.99316	1.1
73.02941	1.3
75.62039	0.3
83.01425	0.6
85.02953	1.4
87.00876	11.8
87.04536	1.6
89.02448	14.3
90.02789	0.3
93.03436	0.4
96.96019	3.0
99.00858	1.9
101.02420	1.9
103.00371	0.8
108.02196	0.4
109.24020	0.3
111.12700	0.3
112.98837	1.0
113.02463	1.5
117.05618	0.3
119.03539	0.7
119.05011	1.0
123.08162	1.1
125.02501	0.5
130.99869	0.4
133.05070	100.0
134.03792	0.5
134.05441	2.2
135.04538	2.1
143.03542	0.5
145.03015	0.4
149.00909	5.3
149.04585	0.6
151.00383	0.5
152.01126	0.8
159.24641	0.3
161.02397	0.4
161.04570	0.6
163.04013	1.0
163.11284	0.8
167.03630	0.3
179.03546	0.6
189.12947	0.7
191.05623	0.4
207.13971	0.9
219.03059	0.6
253.08708	0.7
395.07736	0.7
429.21277	0.4
439.13968	0.6
457.14636	2.4
458.15237	0.4
466.52008	0.3
519.24402	1.5
521.96753	0.4
545.25916	1.3
561.25500	17.0
562.25922	2.2
677.27576	0.5
721.19141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
59.01376	5.7
61.03128	0.4
61.68995	0.3
61.98837	2.3
63.15398	0.3
64.06560	0.3
71.01383	1.4
72.99316	0.5
73.02961	0.6
77.10868	0.3
83.01392	0.3
83.12428	0.3
85.02950	0.4
87.00864	1.1
89.02437	0.8
93.03439	0.5
95.01411	0.5
101.02457	0.8
107.05046	0.4
108.02188	1.2
109.02966	1.8
112.98810	1.4
113.02431	0.7
119.04999	0.8
120.49360	0.3
121.02966	2.7
123.00890	0.9
123.04493	0.7
124.01662	3.1
125.02433	1.5
133.02943	0.6
134.03743	6.0
135.04544	3.6
136.01651	1.4
136.04828	0.5
137.02449	1.9
138.03220	1.4
139.03992	2.5
146.03694	0.3
147.04506	2.0
147.08141	1.1
148.05313	5.4
149.00902	1.2
149.02443	2.3
149.06122	0.3
150.03226	21.8
151.04050	2.7
151.07755	0.4
152.04755	1.0
159.04498	1.0
160.05305	1.2
161.02484	0.6
161.06065	0.5
162.03203	1.5
163.04018	2.6
164.04636	0.6
165.05559	14.5
166.05949	0.9
167.03505	0.4
171.10298	0.6
173.06084	1.2
174.02991	0.4
175.03983	0.4
175.07651	1.3
177.05606	1.0
177.09204	18.4
178.09558	1.1
179.03502	0.6
187.07637	2.3
188.08382	1.7
189.09209	15.6
190.09590	0.9
193.05061	0.9
194.17700	0.3
197.11917	0.7
201.09195	1.4
203.10770	58.4
204.11095	4.2
209.11824	0.6
213.09219	0.7
215.10760	1.8
216.11343	0.4
217.12378	0.7
218.02023	0.5
220.07489	0.5
229.28391	0.4
269.04697	0.4
271.06119	3.1
272.06433	0.4
283.06091	1.2
285.07611	0.6
286.08499	3.8
287.08887	0.7
297.07910	2.0
322.12003	0.5
323.12872	1.1
325.10867	1.3
333.25351	0.3
337.14291	0.7
338.11652	0.6
339.12433	0.5
340.13126	5.6
341.13492	1.0
353.13931	0.7
354.14590	0.5
355.15485	100.0
356.15820	11.9
477.32169	0.3
481.18863	0.4
499.19806	4.7
500.20065	0.7
517.20746	58.4
518.21057	10.6
559.21863	8.8
560.22150	1.6
646.45264	0.5
661.25208	1.4
679.25983	0.8
721.27087	7.6
722.27185	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	721.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05448	0.7
59.01380	12.8
61.98831	100.0
63.99252	0.7
68.99816	1.1
69.42555	6.2
71.01398	3.0
72.91920	0.7
72.99320	2.1
73.02956	1.2
75.65654	0.7
82.49066	0.8
83.05029	1.4
84.99306	2.3
85.02970	2.2
87.00872	13.8
87.01366	1.3
89.02444	1.8
97.02933	0.8
97.06575	0.8
98.19855	1.0
99.00895	1.1
99.04522	9.5
101.02465	2.4
103.00402	0.9
107.05031	1.7
109.02921	3.8
111.00862	1.4
112.98814	24.9
113.02445	3.2
117.03444	0.8
119.05035	1.0
121.02993	1.2
125.09808	0.7
127.00388	2.5
130.99904	1.8
133.02960	4.9
134.03728	5.8
135.04529	63.0
136.04890	2.7
137.02486	4.7
139.00426	2.4
145.03008	0.8
147.04517	1.3
147.11902	1.0
148.05371	1.3
149.00940	3.0
149.02457	1.4
149.06061	1.6
150.03242	5.8
151.03955	0.9
154.87033	0.8
159.04536	1.0
161.02455	13.4
161.04568	1.2
162.02803	1.1
163.04030	4.9
165.05533	4.2
167.03545	0.8
171.10272	1.8
173.02472	1.1
177.05589	1.2
177.09224	3.0
179.03505	35.6
179.05099	1.8
180.03886	2.7
189.09261	2.7
191.03564	3.4
197.11865	1.0
203.10774	10.1
203.14400	8.6
205.05101	1.3
206.36353	0.9
213.09314	1.5
218.05838	0.7
219.02989	15.6
220.03406	0.9
221.15456	24.4
222.15811	2.4
227.10672	0.9
231.03027	2.8
247.13451	1.3
265.14444	52.8
266.14911	5.4
271.05862	0.9
275.02222	2.1
293.03030	25.7
293.06229	1.5
294.03348	2.1
297.07733	0.8
307.15387	4.4
353.14014	1.1
355.15546	16.0
356.15842	2.0
372.38770	0.8
379.13776	1.4
397.15149	2.4
427.19702	34.7
428.20050	5.7
499.19766	4.7
517.20807	6.1
559.20508	38.2
560.20728	6.1
660.75116	0.9
721.27582	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	720.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81404	0.1
54.12648	0.1
59.01381	0.8
61.98833	100.0
67.09808	0.1
71.01410	0.4
73.02934	0.2
78.64671	0.1
87.00885	0.6
87.73645	0.1
89.02463	0.2
98.19807	0.3
99.00903	0.2
99.04550	0.3
101.02473	0.2
103.00359	0.1
112.98813	0.9
115.92115	0.1
116.92879	0.3
127.00409	0.2
133.02922	0.3
134.03764	0.4
135.04533	1.9
137.02458	0.2
149.00981	0.5
150.03342	0.2
161.02457	0.4
163.04051	0.5
165.05698	0.1
177.09325	0.2
179.03537	1.1
189.09300	0.2
193.05092	0.3
203.10785	0.3
203.14476	0.3
219.03079	0.4
221.15474	0.8
264.52515	0.1
265.14484	1.5
293.03009	0.7
333.20865	0.2
355.15659	0.6
423.96149	0.2
427.19675	1.0
495.26053	0.2
517.20972	0.2
559.20239	1.2
627.70526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34315	1.4
59.01380	22.4
61.98832	92.1
68.99819	1.6
69.41453	4.9
69.41878	7.3
71.01396	8.2
72.99314	2.5
73.02945	2.9
83.05025	1.6
84.99325	2.4
85.02950	3.5
87.00882	20.7
89.02439	1.7
99.00886	1.5
99.04502	14.5
101.02441	3.4
103.00404	2.1
109.02933	7.4
111.00898	1.6
112.98814	36.5
113.02485	3.8
119.03495	1.8
119.05110	1.5
121.02966	2.6
127.00401	4.5
130.99850	3.0
133.02959	7.4
134.03728	6.3
135.04530	100.0
135.08151	2.0
136.04857	4.0
137.02451	6.3
139.00366	2.6
140.59583	1.4
147.04404	1.7
148.05276	2.8
149.00900	4.6
150.03226	10.0
151.03920	2.2
159.04556	2.2
161.02457	16.1
163.04027	9.8
165.05556	8.9
177.09227	5.7
179.03506	55.9
180.03848	2.3
180.37694	1.5
187.03870	1.8
189.09210	6.2
191.03537	6.0
203.10777	22.9
203.14453	12.2
204.11131	2.6
205.05020	2.4
207.10352	1.9
209.11832	4.2
219.02969	24.1
221.15472	41.3
222.15877	2.7
231.02959	6.1
247.13478	3.6
265.14450	91.4
266.14774	9.6
275.01886	2.7
293.03073	39.2
294.03308	3.3
307.15536	4.8
336.36078	1.7
355.15491	32.4
356.15765	3.4
397.15298	2.9
427.19727	53.6
428.20059	6.8
499.19785	7.1
517.20740	10.6
518.21277	1.8
559.20605	65.2
560.21149	10.3
689.33618	3.4
715.08594	1.9
721.26532	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	719.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01715	1.0
61.98838	1.6
62.04724	0.4
71.01387	2.5
71.62012	0.6
73.02947	1.0
77.37222	0.4
78.95898	0.7
85.02996	0.7
88.22001	0.3
89.02472	0.4
101.02450	0.8
111.29137	0.4
113.02463	1.2
113.23261	0.5
121.02956	0.5
127.73404	0.5
274.92429	0.5
296.10223	0.5
455.35602	1.8
599.39435	3.3
600.39844	0.8
615.39191	1.2
617.40942	0.8
659.41681	11.3
659.52173	0.6
660.42029	3.4
675.41205	1.2
719.29913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55296	0.2
59.01381	3.2
59.38762	0.2
61.98830	100.0
69.28844	0.3
69.29186	2.6
72.75305	0.2
78.95899	0.6
85.04182	0.3
95.01437	0.3
98.19816	0.4
133.02979	0.3
147.34660	0.2
152.99615	0.5
163.11313	0.3
171.10321	0.5
207.10262	0.7
225.11443	0.8
250.84924	0.3
277.21762	1.6
277.68137	0.3
279.23358	1.0
444.75171	0.3
456.36816	0.2
499.14343	0.3
590.71930	0.3
602.22253	0.7
660.22150	0.5
720.23291	3.2
721.22003	0.4
721.41583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	13.4
61.89260	3.3
68.41348	3.7
71.01377	10.3
71.59701	5.6
80.43954	4.7
89.02452	7.7
109.83150	3.7
124.90745	3.6
135.04488	4.2
147.14966	3.6
215.03246	6.6
240.97635	4.4
341.10843	30.6
350.65417	4.1
377.08517	100.0
378.08969	8.5
447.40637	4.1
517.23926	4.0
541.68939	4.0
632.18951	4.7
728.92987	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	719.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.9
69.44534	28.3
71.01397	5.5
79.53548	4.2
89.02428	8.8
184.15121	5.5
270.16165	4.3
270.31064	4.3
341.10974	27.5
377.08548	100.0
378.08841	6.0
477.57706	3.9
641.02148	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	719.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76470	0.6
55.01879	0.8
57.03446	0.7
59.01379	100.0
60.01714	1.6
60.18699	0.7
61.98833	0.5
69.34676	5.6
71.01382	15.9
72.99308	1.4
73.02934	3.6
81.00984	0.6
83.01383	1.3
85.02951	6.1
86.13890	0.6
87.00868	4.6
88.75744	0.6
89.02435	6.7
95.01388	1.5
96.95992	0.9
99.00894	1.7
101.02439	9.3
108.02203	0.7
109.02978	1.2
112.98815	1.7
113.02464	6.1
119.03503	1.6
119.05042	1.8
119.75784	0.7
121.02986	1.5
133.02988	0.7
134.03748	1.9
135.04517	7.3
136.01694	2.0
137.02460	0.8
143.03560	0.8
145.02965	1.2
147.04546	0.8
149.00941	4.4
149.02492	0.9
149.06061	0.8
150.03316	3.2
151.04012	3.3
152.01079	1.0
153.05524	0.8
159.03012	1.4
160.03993	0.7
161.02478	1.3
161.04550	6.7
163.04025	2.3
165.05559	4.7
177.01933	1.6
178.02652	0.6
179.03464	2.9
179.05629	2.4
181.05063	0.8
183.75470	0.6
193.05125	1.8
195.06665	3.0
209.04605	0.8
219.03204	0.6
223.05956	0.8
241.05113	2.7
247.11874	14.7
247.14211	1.1
248.12349	1.2
256.07452	1.9
271.09711	4.0
289.12921	10.9
290.13333	1.4
319.11774	0.8
354.21576	0.7
411.14307	0.7
455.13583	1.1
467.17145	1.4
515.19397	1.7
719.23987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.5
58.00588	1.0
59.01097	1.5
59.01385	25.2
61.98835	9.8
69.03465	4.3
71.01389	12.8
71.05018	1.7
71.11079	0.8
71.62943	1.1
72.99299	3.3
73.02944	3.7
80.02666	1.0
81.03447	2.1
81.52022	0.8
83.01372	1.4
83.05019	4.9
84.02238	1.0
85.02950	4.3
87.00893	8.2
89.02468	6.8
93.03432	1.1
95.01338	1.0
95.05023	1.8
96.96025	2.4
97.02955	1.3
98.71797	0.9
99.00906	2.7
101.02458	8.1
103.00397	1.8
108.21629	0.9
109.02962	1.8
109.06577	1.0
111.00914	1.4
112.98818	8.0
113.02439	4.5
115.92076	1.8
116.92844	3.5
119.03508	1.5
119.05012	2.6
121.02958	3.0
123.04492	0.8
123.08163	1.1
125.06067	1.1
125.09713	2.4
126.90487	1.1
131.03514	0.9
133.02985	1.6
134.03773	3.7
135.04536	19.7
135.08217	0.8
136.04865	1.2
137.02446	6.2
137.09653	1.3
145.08728	4.4
147.04488	2.2
149.00909	5.6
149.02440	0.9
150.03188	1.1
151.00368	0.9
151.04024	1.5
151.11295	2.5
153.12897	1.5
159.04541	1.2
161.02415	1.3
161.04581	1.6
161.06042	0.9
161.09709	3.1
163.03999	1.5
163.11237	5.0
164.04718	1.0
165.12843	3.5
175.04022	0.9
178.02679	2.4
179.03548	8.3
179.05046	1.2
179.10780	5.9
196.03716	1.5
197.11833	68.3
198.12195	5.1
209.04492	2.2
209.11833	57.3
210.12186	4.1
215.35352	0.9
219.03185	0.8
223.09767	1.8
227.12886	2.8
241.10776	4.7
253.09312	2.8
269.08029	0.8
275.69809	1.1
341.05112	1.1
464.09537	1.7
477.19717	2.3
483.20267	1.6
501.30914	1.3
543.31781	17.8
544.32190	3.2
569.20380	1.9
587.21289	1.7
587.30664	8.3
588.30920	1.6
615.37543	0.9
687.32343	100.0
688.32727	23.1
719.34619	20.6
720.36108	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37329	0.4
58.00585	0.3
59.01378	10.6
60.01715	0.4
61.98834	0.4
69.34547	3.6
72.99336	1.0
87.00877	8.9
93.03463	0.4
96.96033	0.6
103.00361	3.3
106.04262	0.4
109.02955	0.4
112.98801	2.0
119.05012	0.7
121.02950	1.9
122.03766	0.6
130.99844	1.4
133.02968	1.4
134.03738	30.6
135.04271	1.3
136.01665	0.5
137.02454	6.5
139.04018	2.1
147.04433	0.4
149.00909	4.9
149.02400	2.0
149.04872	0.7
149.06071	12.6
150.03221	5.3
150.06491	0.5
151.03969	0.7
153.05632	0.4
159.04468	0.3
163.04042	0.4
164.04851	0.5
165.05577	4.6
166.05940	0.4
178.02705	22.2
179.03296	1.9
192.04260	1.1
193.05051	100.0
194.05405	5.6
195.06639	3.2
207.06592	1.2
240.08424	0.4
255.06491	0.4
282.08771	0.6
328.79599	0.4
341.10126	1.7
343.11707	0.4
372.21478	0.4
389.12604	2.4
391.13513	0.5
409.12897	0.4
433.16885	0.6
443.13382	1.3
537.17621	4.8
538.18140	0.9
571.72375	0.4
585.19788	11.1
586.20068	2.5
717.23804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71490	1.4
54.48669	1.4
59.01380	100.0
61.98832	84.2
70.22660	5.8
72.87855	1.4
78.95940	1.9
132.28720	1.4
148.44930	1.5
178.84952	1.4
193.08769	2.0
250.62360	1.4
277.22079	1.8
299.71036	1.6
453.12039	2.4
457.18918	1.8
457.34048	1.4
459.16913	1.9
473.41425	1.7
481.11285	1.9
496.13934	14.0
497.14706	10.4
498.15100	3.7
510.15494	6.3
511.16299	8.9
512.16718	5.5
513.17627	6.2
539.19714	2.0
544.15936	4.7
545.16473	1.9
567.18915	9.9
568.18628	3.7
571.18530	15.1
572.18610	2.4
597.19684	3.4
598.20721	4.0
599.21533	43.4
600.21582	12.0
602.16620	3.9
631.20465	2.6
657.22156	20.4
658.22449	5.5
717.24188	86.0
718.24512	32.4
735.38586	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
59.66927	0.1
61.91883	0.1
61.98833	100.0
62.98522	0.2
71.22346	0.1
73.11121	0.1
176.17415	0.1
178.33191	0.1
227.20406	0.1
256.23752	0.1
258.24316	0.1
397.13541	0.2
399.13937	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98833	100.0
62.98532	0.2
69.49635	0.2
69.50064	0.3
71.01400	0.2
77.95795	0.1
89.02418	0.1
98.19866	0.1
101.02457	0.1
107.06348	0.1
136.26407	0.1
139.45572	0.1
255.23302	0.1
256.23752	0.1
397.13232	0.1
398.14124	0.2
399.14160	0.2
400.14270	0.1
416.15314	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75330	0.7
59.01382	12.2
61.98832	25.7
68.99847	0.7
69.03477	0.9
71.01385	5.4
71.62169	1.3
72.99302	4.2
73.02948	2.3
83.01385	1.1
85.02953	2.4
85.06556	0.7
87.00902	5.3
88.98837	0.7
89.02444	2.5
93.03473	1.6
94.48318	0.7
96.96019	1.4
97.02932	1.0
97.06637	0.7
99.00865	1.7
101.02451	3.1
103.00379	2.2
108.02175	0.9
108.04523	0.8
109.02970	0.9
112.98836	5.6
113.02425	3.4
119.05016	2.9
120.01258	100.0
121.02964	1.0
122.03750	0.9
123.04516	2.7
125.02421	2.1
130.99883	1.0
133.03006	1.2
135.04530	9.8
137.02509	1.6
143.03519	0.8
145.02940	1.2
147.04517	0.9
149.00917	10.9
149.02090	1.1
149.04539	1.1
149.06143	0.9
150.03259	1.0
150.06859	0.9
151.04012	1.2
152.01160	1.4
153.01930	0.9
154.08765	1.3
159.04494	0.9
161.02451	2.7
161.04594	1.6
163.04018	2.7
163.07640	0.7
165.05495	1.1
167.03476	3.5
168.03783	0.9
171.06636	1.1
171.10278	1.6
174.01678	0.7
175.02396	1.0
175.04018	1.8
179.03461	4.8
179.10719	1.0
180.04050	0.9
187.07736	0.7
193.05060	1.5
199.07877	0.7
203.03702	1.0
205.04938	0.8
206.94327	0.8
211.13513	1.7
220.09799	1.1
229.01353	0.7
275.09293	1.0
409.13043	5.4
422.07242	0.8
428.86823	0.8
435.10797	1.1
491.14218	0.9
499.52020	0.9
511.36685	1.1
731.28296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31546	0.5
59.01376	2.3
61.98817	2.5
69.39024	5.0
71.01365	1.1
73.02946	0.5
87.00892	1.1
93.03461	15.3
96.99332	3.8
98.19814	1.0
101.02420	0.5
108.02186	0.9
109.02950	1.0
112.98823	0.7
115.17545	0.5
117.03447	1.2
119.05032	14.4
120.05338	1.0
121.02959	1.0
123.04512	0.8
130.04256	0.7
131.05046	3.2
132.05846	0.9
133.02980	3.3
134.03735	1.0
135.04495	1.3
137.02431	1.0
143.05026	11.9
144.05313	0.6
145.02916	2.6
149.00916	2.7
152.01152	1.1
163.04007	7.7
164.04367	0.6
171.04512	1.6
203.03413	0.6
211.07649	4.4
212.37213	0.6
219.08165	0.9
219.13268	0.7
221.09683	0.7
222.06895	0.6
223.07652	1.1
235.07597	2.0
237.09160	5.3
239.10780	1.0
259.14420	0.6
265.08682	13.8
266.08969	1.6
283.09723	3.0
301.45480	0.6
309.07617	4.1
310.08182	1.1
327.08731	100.0
328.09048	12.9
356.63022	0.5
637.88153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.3
60.31474	0.3
61.98822	1.0
66.91857	0.4
69.57455	2.2
71.01366	0.5
72.99283	0.3
83.05010	0.6
87.00860	0.7
89.02428	0.5
94.26514	0.4
98.20574	0.7
101.02460	0.4
103.00320	0.4
106.85465	0.3
112.98798	0.9
119.05020	0.4
124.04054	0.4
128.15747	0.4
135.04509	1.5
149.00958	1.7
149.06039	0.4
150.03265	0.4
161.02463	0.5
163.03905	0.5
179.03479	1.1
219.02960	0.4
227.12816	0.4
235.91565	0.4
287.14941	0.6
293.03073	0.6
446.79517	0.4
591.13403	0.4
677.49664	3.5
678.49170	0.9
713.47327	100.0
714.47632	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	715.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
59.01363	3.0
61.98822	1.3
69.54231	6.4
71.01374	2.9
72.99292	1.5
85.02957	1.7
87.00864	1.0
89.02435	1.0
91.01898	1.4
93.03465	1.3
95.01389	1.4
95.18549	0.8
98.41998	0.7
99.00914	1.1
101.02432	1.2
108.02177	58.6
109.02959	75.6
110.03295	3.2
115.52306	1.0
119.05075	1.2
121.02952	1.2
123.04575	1.5
133.03006	0.9
135.04526	3.0
137.02438	1.1
149.00905	1.9
149.02365	1.0
151.03976	2.3
152.01157	100.0
153.01949	77.5
154.02260	3.4
163.03992	4.7
169.58589	0.8
175.04031	0.8
177.02014	1.0
179.03510	2.1
193.05087	1.8
194.08293	4.9
195.02869	0.9
223.06143	1.0
225.03928	1.0
241.07239	4.7
261.91342	1.0
267.05261	1.1
285.06049	2.3
399.09250	11.8
417.10400	35.6
418.10684	3.6
509.12933	2.7
535.11060	3.0
553.11981	88.2
554.12341	12.9
595.13013	4.8
715.17249	64.9
716.17535	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	715.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74837	1.7
59.01094	2.9
59.01384	51.8
61.98836	28.3
71.01390	11.4
71.61652	2.7
72.99319	3.8
73.02950	5.2
75.00891	2.5
78.95876	2.0
80.96545	1.9
83.01379	2.3
85.02950	4.8
87.00883	6.1
89.02462	5.5
93.03481	2.8
94.06604	2.6
95.05029	3.1
96.96033	7.9
99.00874	1.9
101.02441	6.9
101.17097	1.6
106.06644	2.2
112.98828	14.7
113.02441	3.4
116.92854	2.4
119.05058	2.4
120.08212	2.9
121.02919	2.6
121.05342	4.6
122.06142	31.3
133.03033	1.4
134.03745	3.8
134.06114	7.3
135.04544	9.1
137.02458	3.1
144.04564	2.0
149.00908	5.6
149.06001	1.8
151.07652	2.3
155.17094	2.0
159.04460	1.8
160.06412	9.7
161.02425	3.3
161.04642	3.6
162.05641	2.0
163.04018	4.4
171.10248	2.3
174.05586	8.3
175.04066	3.5
178.02602	2.6
179.03500	5.9
187.40102	1.8
193.08794	1.8
203.03357	1.8
203.05774	3.9
211.13290	2.8
213.10338	42.6
214.10669	2.9
215.11836	3.5
225.10376	1.6
226.11139	3.8
227.12979	2.2
239.11897	22.7
240.12134	2.1
241.13470	22.5
251.11861	4.0
283.10892	8.1
285.12454	100.0
286.12799	5.5
293.03357	2.1
293.09543	2.7
293.12909	6.6
299.02054	1.9
325.11987	4.4
328.10730	5.9
330.16217	2.2
343.13336	6.7
344.17648	2.9
354.16122	4.0
356.13971	8.0
357.14597	2.9
368.17758	2.6
370.15530	18.7
371.16138	3.9
372.16962	6.5
382.12027	2.0
384.13425	2.9
397.14462	2.1
398.15259	9.6
399.15036	1.8
403.14960	2.8
412.16571	8.1
413.17258	5.1
467.24844	2.7
479.20627	1.9
491.25015	2.6
493.22412	16.7
494.22787	3.4
509.27881	8.2
511.32678	5.0
535.23499	88.3
536.23846	22.6
538.21948	3.9
553.24860	2.0
567.25922	3.1
579.22498	83.4
580.22723	18.8
595.25513	6.8
611.25122	39.8
612.25604	10.7
639.24384	11.7
640.24750	4.2
671.27240	5.9
671.39252	3.1
687.10474	2.0
715.38635	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	713.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25686	0.4
54.40501	0.3
55.01870	1.0
57.02028	0.4
57.03451	0.8
58.00585	0.8
59.01378	15.1
61.98835	2.0
63.80944	0.3
65.76944	0.4
69.03479	0.6
70.23868	1.5
71.01386	8.4
72.85226	0.4
72.99310	3.6
73.02950	3.5
73.20004	0.4
75.39274	0.4
81.62958	0.4
83.01385	1.6
85.02963	2.9
86.00035	0.4
87.00877	10.0
89.02456	2.5
91.38437	0.3
93.90020	0.4
95.01388	0.6
96.96031	0.5
97.02942	0.8
99.00879	1.9
101.02467	4.1
103.00377	1.9
105.01923	0.8
108.02146	0.5
109.02969	0.7
111.00890	0.6
112.98814	3.3
113.02440	2.8
116.92781	0.5
118.24557	0.4
120.01241	1.2
121.03004	0.5
123.04532	1.0
124.01653	0.7
125.02435	1.1
129.09204	0.4
130.99841	1.2
133.03030	0.6
135.04521	3.3
136.04849	0.5
137.02481	0.6
141.01883	0.5
143.03528	0.4
145.02795	0.5
149.00914	3.3
149.01978	0.4
149.02507	0.4
150.03185	0.8
151.00380	0.4
152.01170	0.6
152.49113	0.4
153.01828	0.5
155.10797	0.4
161.02425	1.2
161.04552	0.5
163.03979	1.1
165.04053	1.7
165.05530	0.9
167.03479	2.6
168.03946	0.6
177.01904	0.4
179.03494	1.5
183.13892	0.6
183.94543	0.4
186.69757	0.4
219.02959	1.0
227.12874	0.9
251.25432	0.4
287.22260	12.0
288.22656	0.9
293.03159	0.8
299.32245	0.4
301.24136	0.5
317.10309	0.7
367.62643	0.4
389.18396	0.5
431.26343	3.2
449.27527	20.5
450.28043	2.6
471.62497	0.4
479.03925	0.4
509.10693	0.7
563.30481	1.1
581.31750	100.0
582.32153	15.8
582.39569	0.4
713.32501	6.4
714.32648	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66435	0.4
51.66687	0.4
55.01864	0.7
57.03438	1.1
58.00583	0.4
59.01099	0.9
59.01381	17.7
60.25937	0.4
61.98825	3.8
69.03440	0.6
71.01381	8.7
71.39266	0.4
71.62405	0.4
72.99306	3.4
73.02950	3.2
75.00864	0.5
78.69887	0.4
80.65829	0.4
81.03452	0.4
83.01379	1.8
84.99273	0.5
85.02956	3.2
87.00876	11.9
87.96430	0.4
88.98801	0.8
89.02442	3.0
93.03454	0.6
95.01350	0.6
96.96008	1.0
97.02949	1.1
99.00870	2.1
101.02425	4.0
103.00356	1.7
104.28255	0.5
104.56539	0.5
108.02149	1.2
109.02988	0.5
111.00848	0.6
112.98801	3.0
113.02468	2.5
115.03979	0.8
119.03506	0.8
119.04997	1.3
120.01250	0.7
121.02940	0.7
123.04541	4.6
124.01702	1.0
124.04022	0.7
125.02449	1.1
130.99886	0.9
131.03505	0.7
133.02963	0.5
134.03731	1.2
135.04515	3.8
137.02472	0.7
143.03511	0.7
147.04533	0.5
149.00917	5.6
149.02130	0.8
150.03194	2.0
151.00343	0.6
151.03969	0.7
152.01108	1.9
153.01654	0.6
154.33009	0.4
161.02460	1.6
161.04471	0.8
163.03973	1.4
165.04149	0.7
165.05530	2.1
166.05910	0.9
167.03502	8.9
168.03821	2.4
169.03896	0.8
175.03941	0.8
177.05602	0.6
178.02727	0.7
179.03500	2.0
182.08420	0.4
191.05699	0.5
209.11867	0.5
219.02885	0.5
235.09756	1.4
236.10030	0.7
269.21033	0.7
285.20544	0.7
287.22284	11.9
288.22824	0.8
293.02945	0.8
310.79956	0.5
317.10031	0.5
387.14630	0.8
388.14734	1.2
389.15323	1.3
431.26428	2.9
449.27554	19.3
450.27905	2.9
509.10895	1.1
510.09924	0.4
550.19989	1.1
551.20734	2.5
563.31006	1.1
581.31744	100.0
582.32117	17.8
713.32623	6.0
714.31805	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	713.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.2
58.00591	2.3
58.66437	1.0
59.01092	1.7
59.01382	31.9
61.98827	3.1
66.68201	0.9
68.99805	2.3
70.00861	4.1
71.01388	7.2
72.99311	4.6
73.02950	3.7
75.69140	0.9
82.31638	1.0
83.01389	1.5
84.99333	2.2
85.02948	2.5
87.00882	22.4
88.19004	1.0
89.02451	3.7
91.35209	1.3
93.03463	1.3
95.04980	1.1
96.95983	1.5
98.20639	1.0
99.00871	2.2
101.02448	4.3
103.00384	15.9
107.05050	1.9
108.02178	1.5
109.02963	7.1
111.00878	2.5
112.98038	1.7
112.98813	25.7
113.02459	2.4
119.05012	1.5
121.02960	3.5
122.03768	1.6
123.04527	3.3
124.01707	1.1
127.00389	8.2
130.99875	7.9
133.02957	11.6
134.03720	6.0
135.04532	100.0
136.04854	3.8
137.02435	9.0
139.00351	6.7
139.04033	1.1
143.03682	0.9
145.02934	1.9
147.04507	3.0
149.00926	12.1
149.02347	5.4
149.06012	1.6
150.03246	12.4
151.03981	1.5
152.01169	2.2
153.01955	1.5
154.99924	1.4
155.81540	1.0
159.04495	2.8
161.02451	25.4
161.04494	1.2
161.06064	1.3
162.02757	2.4
163.04004	16.8
164.04758	5.5
165.05566	16.4
167.03508	5.9
168.03931	1.6
171.06668	1.1
173.02449	1.4
175.03947	2.6
177.05554	3.6
179.03505	56.7
179.06995	1.7
180.03952	2.3
187.04025	2.0
191.03510	8.3
193.01349	1.6
195.06604	10.2
205.05093	1.8
208.03818	6.5
219.02994	35.7
220.03296	2.6
221.04544	2.0
223.06114	21.6
224.06422	1.4
231.02835	6.6
233.06848	1.1
275.01920	4.8
287.14865	1.4
287.22272	8.5
293.03043	48.4
294.03336	4.1
371.11261	1.6
419.13452	31.1
420.13876	3.7
431.26315	1.5
449.27640	10.4
511.17096	1.0
551.13947	5.8
570.86993	1.0
581.31775	62.9
582.32281	6.9
593.73346	1.1
653.22968	1.0
713.32526	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	713.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34624	0.6
57.03452	1.2
59.01373	2.8
61.98824	6.9
63.02388	0.8
65.00323	12.5
65.61032	0.6
71.01391	1.9
71.10675	0.6
73.02939	1.2
74.02428	0.6
75.98969	0.5
83.01388	7.4
85.51196	0.6
87.00864	1.1
89.02425	0.8
90.66721	0.6
93.03486	1.1
97.02930	0.6
97.21281	0.5
103.01885	1.0
105.03452	0.6
107.01389	21.5
108.01654	0.7
109.02958	2.3
113.02438	0.8
119.05003	2.9
120.01097	0.5
121.02940	1.8
123.00962	0.7
123.04519	2.7
124.01694	0.7
125.02452	9.7
131.01381	3.3
133.02908	2.9
134.03720	1.4
135.04564	4.2
137.02441	1.4
145.02979	0.7
147.04453	0.9
149.00951	0.8
149.02440	2.2
149.06116	1.1
150.03217	3.7
151.00369	100.0
151.03967	7.9
152.00876	4.6
153.01926	4.3
153.05652	0.6
159.04449	0.6
161.02441	1.1
163.04019	2.4
165.01964	1.2
165.05626	1.1
169.01428	3.4
171.04459	0.8
174.03224	0.9
175.00366	19.5
175.03925	2.9
176.00883	1.2
177.01906	2.9
177.05568	1.9
178.99854	16.2
179.03508	2.3
180.03760	0.7
181.01367	1.4
185.06007	0.7
189.01833	1.1
189.05513	1.2
193.01428	2.7
193.05058	1.1
197.06151	0.8
199.04037	4.2
200.04781	0.8
201.01923	0.8
205.01448	1.4
211.04044	0.8
212.04822	0.8
213.05647	1.4
215.03636	0.9
217.01424	1.1
217.05101	1.5
221.04689	0.8
223.06107	0.7
227.03516	2.2
228.04285	0.7
229.05054	0.9
239.03529	1.1
239.05643	5.7
239.68613	0.5
240.06148	0.9
241.02919	0.6
241.04829	3.3
253.03542	0.9
255.03008	0.8
256.03799	1.7
257.04501	2.3
275.05722	1.2
283.02551	0.7
283.06058	0.7
284.03296	10.0
285.04041	68.4
286.04388	5.1
293.12347	0.8
297.04025	1.1
303.05069	7.8
304.05441	1.1
307.14920	0.6
309.04068	1.1
313.05655	15.2
314.06210	1.3
315.88251	0.6
327.05130	1.6
331.06607	1.8
341.05203	1.6
355.10257	0.9
381.08224	1.6
401.10623	0.8
447.09299	16.5
448.09616	1.7
465.10229	1.5
507.11411	53.3
508.11719	7.9
669.17377	0.9
713.19519	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94197	1.8
59.01384	44.5
61.98837	74.4
71.01389	28.2
71.62092	2.4
72.99316	3.9
73.02965	4.8
83.01394	2.2
85.02944	6.3
87.00864	8.3
89.02456	26.6
97.02958	5.1
99.00919	3.0
101.02446	18.7
113.02474	10.2
114.48975	2.5
119.03494	7.8
125.02442	10.8
143.03516	3.8
161.04599	4.5
179.05716	3.6
235.08229	10.2
253.09271	3.2
253.21758	79.8
254.22110	4.4
287.07632	5.6
305.08582	5.0
397.13495	100.0
398.13937	13.1
415.14633	35.0
440.12701	2.3
613.27032	2.2
651.36200	4.4
652.36542	2.9
707.25018	2.3
723.09833	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	711.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01712	1.2
61.01802	0.4
61.98832	15.3
76.25214	0.4
78.95898	0.6
79.48294	0.4
81.83424	0.4
98.19884	1.4
114.18645	0.4
116.92906	0.4
152.99611	0.4
239.83727	0.3
277.21722	19.9
278.22046	2.4
391.23654	0.5
468.74524	0.4
711.38336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.2
59.45162	0.5
61.98832	100.0
71.01385	3.0
71.62355	0.6
72.99301	1.0
73.02942	0.7
75.00872	1.0
79.23895	0.7
85.02967	1.4
87.00871	1.7
88.98875	0.5
89.02465	1.7
95.01349	0.7
99.00902	0.9
101.02475	1.9
109.02966	0.7
109.06623	0.6
112.98796	1.1
113.02477	1.3
121.02965	1.0
133.02972	0.7
134.03731	0.8
135.04532	2.0
149.00905	0.5
149.02400	0.5
150.03252	1.9
158.47533	0.5
162.06837	0.7
163.03987	0.9
165.05571	1.2
177.09210	2.7
189.09267	2.4
203.03394	0.6
203.10791	4.9
204.11342	0.6
220.09598	0.6
241.09814	4.1
252.90498	0.6
256.12244	2.1
302.34647	0.5
315.13501	5.2
340.13068	0.9
355.15485	7.8
356.15887	0.9
439.79559	0.5
517.20660	2.8
649.25049	19.4
649.37402	0.7
649.39441	1.1
650.25519	3.9
652.41254	0.9
669.38312	0.8
712.41296	0.5
713.38751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
57.03439	3.5
59.01379	79.4
60.01685	2.3
61.98836	27.8
68.99805	1.7
69.03445	2.7
69.46687	12.3
71.01386	31.7
71.05012	1.7
72.99287	7.3
73.02943	12.1
75.00858	5.4
75.28193	1.6
78.56800	1.4
83.01376	7.9
83.05000	1.9
85.02952	12.7
87.00884	9.0
88.98798	3.1
89.02443	12.2
91.05585	1.8
92.94762	1.5
93.03439	3.5
95.01318	3.5
97.02946	3.2
98.78513	1.6
99.00880	6.1
101.02454	18.2
109.02946	19.7
111.00884	4.3
112.98814	16.9
113.02448	20.9
117.03487	2.0
119.03554	3.2
119.05032	8.3
121.02991	9.6
121.06595	1.7
123.04532	5.1
125.02441	14.4
133.02982	9.6
133.06664	1.7
134.03716	6.8
135.00876	1.7
135.04535	35.7
137.02458	8.4
143.03479	3.4
145.02946	6.4
146.03743	18.7
147.04521	29.4
148.05322	16.1
149.00911	5.9
149.02405	4.5
149.06087	61.5
150.03201	3.0
150.06834	4.2
151.03970	2.7
152.01105	1.8
159.03033	1.8
159.04500	5.4
159.10358	1.8
161.02472	11.3
161.04539	11.3
161.06062	23.6
162.03166	3.3
162.06488	1.8
163.04015	9.5
163.07632	5.9
164.04800	10.0
165.05501	5.1
165.12833	3.3
167.03484	5.6
171.04626	1.8
171.10246	1.5
172.05287	1.7
172.82777	1.5
173.02512	2.3
173.06116	8.7
174.03207	4.5
175.03990	32.2
176.04744	9.5
177.01903	6.9
177.05624	7.6
178.02638	2.0
179.03505	10.8
179.05685	3.3
179.07133	23.0
183.13885	6.3
185.04552	3.4
185.06123	2.6
187.03972	3.1
187.07674	2.4
189.05574	27.5
191.03474	7.0
191.05414	2.6
191.07111	22.1
193.05006	9.6
203.07137	6.6
205.05066	9.3
207.06624	2.9
209.11855	1.6
215.03520	1.8
215.07181	1.6
217.05048	30.2
218.05399	1.6
219.02977	15.1
221.04483	5.3
227.12877	3.9
235.06099	28.1
237.04025	18.8
251.09280	4.0
251.12869	2.4
259.05948	2.2
277.03815	1.7
277.07104	6.8
279.05093	12.1
280.80618	1.5
284.06876	5.1
293.03159	1.9
293.13867	6.8
295.08240	16.5
339.07190	100.0
340.07474	7.1
369.13379	10.5
371.17310	8.4
387.14685	2.0
501.12460	5.1
507.33820	7.6
577.20825	1.8
579.26440	1.9
607.36823	2.6
609.21826	2.6
651.40491	13.9
668.38922	3.2
669.40808	8.3
711.25061	83.4
711.38202	7.8
712.25464	16.6
717.76483	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12928	0.6
51.76776	0.5
59.01370	2.5
59.13266	0.5
61.98822	1.2
66.74709	0.5
69.84003	3.0
72.99296	0.9
74.02489	0.6
87.00871	4.1
91.01944	0.6
93.03441	1.4
105.03448	0.6
106.04229	1.8
107.05029	11.7
108.02162	1.3
112.98728	0.6
117.87212	0.5
119.04985	1.2
121.02972	3.0
130.99905	0.7
133.02943	1.4
133.06604	5.9
134.03734	0.8
135.04539	3.8
147.04482	0.6
149.00934	1.1
149.02403	0.6
149.06087	17.2
151.03946	0.6
163.04025	1.6
177.01929	20.4
177.05559	19.7
178.02222	1.3
178.05841	1.4
179.03497	31.3
180.03864	1.1
193.04971	0.8
195.06554	2.6
202.41289	0.5
213.95787	0.5
221.04578	1.2
223.06108	0.7
239.05605	100.0
240.05951	5.9
241.12753	0.6
253.03384	0.6
255.03003	1.5
261.54907	0.6
301.10715	0.8
310.20929	0.5
385.14053	1.5
417.11371	0.6
445.07309	0.5
471.11267	9.1
472.11789	1.1
480.36716	0.7
494.91620	0.7
667.15393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
57.03453	0.7
58.93013	0.5
59.01379	100.0
60.01723	1.0
61.98826	1.1
71.01386	9.2
71.61217	0.7
72.99294	0.8
73.02958	4.0
83.01403	2.3
85.02961	5.3
87.00889	2.4
89.02444	1.2
91.17524	0.6
93.03474	0.6
95.25957	0.5
99.00879	1.3
101.02435	6.7
101.03004	0.7
107.05040	0.6
108.02135	0.6
108.09285	0.5
109.02961	1.6
112.98830	1.7
113.02448	3.0
116.92896	0.9
117.03474	0.9
119.03438	0.5
119.05013	10.2
120.05358	3.1
123.00989	0.6
123.04538	1.9
123.55907	0.6
130.99783	0.7
133.06641	0.8
135.04555	2.7
136.01668	0.7
136.04926	0.7
145.02969	1.1
149.00908	4.6
149.06129	0.7
151.00385	1.2
151.04037	0.6
152.01184	0.9
159.03087	1.0
159.04456	0.9
160.04007	0.6
161.02460	1.0
161.04532	4.2
163.04005	12.2
164.04337	4.7
165.00183	0.8
165.04520	2.3
166.02718	0.8
167.03477	4.2
176.10783	0.5
177.05617	1.0
179.03485	3.0
181.05060	0.9
191.03685	0.6
203.03539	1.7
204.03995	0.6
219.03088	0.7
255.03133	0.8
261.13089	0.7
269.10254	10.6
270.10703	0.9
271.02567	1.9
272.08969	1.0
293.03067	0.6
300.02817	2.7
301.03561	3.3
307.06638	0.7
311.11374	4.9
325.09375	4.0
326.09677	3.9
327.09891	4.1
382.98087	0.6
459.11679	0.6
463.09030	2.3
505.10098	2.4
506.10355	0.7
580.16724	0.6
711.19946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
61.98819	0.9
63.02392	1.2
65.00336	3.3
65.00926	0.7
65.34576	0.7
69.64466	1.7
69.64872	4.1
71.01402	2.4
83.01400	2.2
87.00890	1.3
93.03497	0.7
96.96025	0.8
101.02438	1.0
107.01392	6.7
108.02200	1.2
109.02962	2.7
115.00368	0.9
119.05028	1.2
121.02962	11.5
133.02962	0.9
135.04483	3.5
145.02972	1.2
149.00885	2.2
149.02406	1.0
151.00374	27.6
151.04007	0.8
152.00905	0.9
154.63655	0.8
159.04536	1.2
161.02440	0.9
163.00372	2.5
163.04012	1.6
164.01184	0.9
165.00169	0.9
169.01437	1.6
175.03967	0.9
177.01974	1.5
178.99867	14.5
179.03517	1.9
181.05087	1.3
195.06577	0.9
211.03999	1.2
226.02701	0.8
227.03448	1.8
228.04158	0.9
229.05048	1.2
243.02950	6.4
245.04482	1.4
254.02284	2.2
255.02985	21.1
256.03360	2.9
271.02469	42.6
272.02994	3.3
272.08905	0.8
273.04056	1.0
283.02469	1.0
299.02017	1.8
300.02747	86.4
301.03510	99.0
302.03882	8.5
307.06430	0.9
341.09039	0.8
342.18536	0.8
463.08762	20.2
464.08917	2.8
489.13489	0.8
505.09860	100.0
506.10257	14.7
580.16370	0.7
667.15045	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	711.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
60.89479	0.7
65.00344	0.7
69.43583	5.1
71.01377	1.5
73.32202	0.6
76.38207	0.7
83.01399	1.0
87.00861	1.0
88.04045	2.1
88.98093	0.7
107.01401	1.7
109.02950	2.0
119.05032	1.1
121.02969	1.4
121.16478	0.7
123.04572	0.8
132.03041	1.9
133.02974	0.8
134.03748	1.4
135.04523	2.3
137.02449	1.0
145.02989	1.1
149.00900	2.4
149.06107	1.0
151.00380	5.3
166.53294	0.8
169.01445	0.9
171.04561	1.1
173.06117	0.7
175.00302	1.1
175.04022	2.0
178.02705	1.1
178.99806	1.9
179.03459	2.6
187.03999	0.9
189.09846	0.6
193.05067	2.6
199.04004	3.9
201.01970	1.1
201.05455	0.7
203.03380	0.7
215.03535	1.8
226.02753	0.9
227.03456	4.1
243.03021	3.8
250.07114	1.3
255.03075	1.6
271.02466	54.2
272.02808	4.5
299.01965	100.0
300.02502	20.1
301.03516	35.7
301.06613	1.0
301.10733	1.1
302.03848	3.2
313.03552	2.0
341.08823	1.4
343.04391	0.9
438.35471	0.7
462.08075	20.2
463.08630	13.2
464.09253	1.4
495.84424	0.7
505.09711	13.2
506.10107	1.7
523.21368	0.8
547.10864	1.0
600.88739	0.8
625.14117	2.0
667.15161	92.5
668.15448	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	710.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.8
59.97423	0.1
60.01718	0.3
61.01803	0.3
61.98831	100.0
62.98552	0.2
62.99253	0.2
67.49339	0.1
70.03699	0.5
70.04121	0.2
78.95936	0.3
102.78110	0.1
122.98642	0.1
129.29433	0.2
250.10197	0.1
276.96118	0.2
277.21793	0.8
278.22067	0.8
307.47482	0.1
325.10690	0.2
344.64200	0.2
478.95615	0.2
710.40393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.2
60.01717	0.5
61.01808	0.4
61.98830	100.0
67.35571	0.3
78.95924	0.4
89.26173	0.2
102.05636	0.3
146.04605	0.4
152.99663	0.4
268.90137	0.3
277.21866	1.3
278.22006	1.1
279.23157	0.5
343.23026	0.2
710.39441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
61.98832	100.0
63.96568	0.3
69.50349	2.0
78.95898	0.6
79.94373	0.3
80.96498	0.3
98.19868	0.5
109.52018	0.3
124.29240	0.3
152.99611	0.6
165.76917	0.3
207.03992	0.3
215.31720	0.4
236.92667	0.3
255.23288	1.8
277.21774	0.7
279.23273	0.7
280.23590	0.4
643.22699	0.3
648.42145	0.4
710.38629	0.6
711.40869	1.2
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	Unknow
Peak:m/z	Relative Intensity
59.01383	7.0
60.44160	1.1
61.98819	2.6
63.03131	1.2
65.00319	2.0
69.59171	8.9
71.01379	3.2
72.99323	2.0
73.02998	1.1
78.51281	1.2
85.02937	2.3
87.00891	3.9
98.20599	1.8
101.02451	3.0
102.38197	1.2
103.00369	1.4
107.01382	2.6
109.02937	4.0
112.98801	1.7
113.02493	1.8
119.04987	2.3
121.02956	1.9
128.03563	1.8
133.02989	2.7
135.04527	12.5
136.04767	1.2
137.02438	1.4
145.02896	1.4
149.00906	6.7
149.02348	1.7
149.06071	2.2
151.00380	6.5
151.04016	1.4
152.01138	1.2
161.02434	1.4
163.00357	1.8
163.04007	2.9
165.01881	1.7
166.00761	1.3
167.08044	1.1
174.03215	1.8
175.04033	2.9
177.02000	2.0
178.99898	1.3
179.03439	3.7
193.05139	1.8
194.27155	1.2
199.03964	2.4
205.05110	1.8
215.03493	1.7
227.03525	4.3
243.02982	3.5
255.03035	2.0
271.02460	64.7
272.02783	6.2
272.08908	1.8
286.08185	1.4
299.01965	100.0
300.02551	20.8
301.03534	39.6
301.06995	1.5
302.03888	2.2
313.03625	1.8
377.81931	1.5
417.11206	3.6
445.31244	1.3
463.08737	11.6
504.09100	20.4
505.09680	23.9
506.09906	2.2
544.59436	1.5
667.15131	88.9
668.15430	16.8
711.20697	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	709.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71870	0.3
52.10883	0.4
59.01380	100.0
59.99755	0.4
60.01704	0.6
61.47066	0.4
61.98833	2.1
64.21646	0.4
67.43840	0.4
69.55041	2.4
71.01379	2.5
73.02924	0.5
75.93511	0.4
78.95911	0.7
80.96513	0.7
81.67241	0.4
85.02947	0.5
86.71399	0.5
89.02469	1.1
98.19740	0.4
101.02470	0.9
108.27653	0.4
113.02433	0.5
127.71932	0.4
160.56375	0.5
169.72420	0.4
213.11310	0.7
277.21713	82.7
278.22025	8.1
279.23303	0.8
293.21191	0.7
389.21719	0.7
709.38666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.2
60.01694	0.5
61.01799	0.4
61.98832	100.0
70.41368	0.4
71.01389	0.4
78.95920	0.5
88.59042	0.4
102.92637	0.4
108.41041	0.4
111.90339	0.5
113.97368	0.5
128.09514	0.4
152.99692	0.6
169.12350	1.1
197.20143	0.4
201.11314	0.8
209.12036	0.5
216.74179	0.4
217.63316	0.4
255.14856	0.5
255.23257	0.7
277.21704	2.3
278.22156	1.8
279.23276	0.7
280.23618	0.4
382.57437	0.4
710.41382	3.6
711.41150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73806	1.2
55.90546	1.2
59.01377	14.6
61.98835	21.9
71.01376	6.0
73.02947	1.4
78.95892	11.5
80.96548	1.7
83.05019	1.8
89.02437	4.0
97.06600	3.7
101.02421	3.7
113.02449	2.5
117.51617	1.4
120.62521	1.3
135.04478	1.7
151.11279	13.5
152.99597	17.8
154.24162	1.5
169.12352	89.8
170.12726	3.8
171.00610	1.7
177.01921	9.9
195.10228	1.5
201.11339	15.4
209.11842	18.0
213.11348	11.1
227.03281	1.6
227.12903	2.4
252.15924	1.5
253.09395	2.9
253.21843	3.5
277.21707	32.8
278.22034	4.0
279.23312	5.9
287.09311	7.8
291.23407	1.6
381.13046	1.5
391.29288	1.4
431.19055	3.1
449.20319	5.6
455.16837	3.8
473.17880	15.7
587.54785	1.4
598.28137	1.4
691.37512	2.4
709.41254	100.0
710.41364	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01379	100.0
61.98829	39.1
70.19094	1.6
70.63268	1.5
70.63575	3.1
71.01369	5.1
73.02916	1.5
78.95905	5.2
85.02907	2.0
89.02452	2.7
91.51015	1.4
97.06585	6.2
101.02425	5.2
106.02074	1.4
106.44722	1.5
113.02418	1.6
130.11108	1.3
131.03619	1.3
133.78506	1.4
151.11261	13.9
152.99571	4.9
161.04617	2.4
169.12344	47.2
170.12634	2.8
195.10281	3.3
201.11334	4.4
209.11823	4.0
213.11324	7.5
235.08192	3.3
253.09280	2.3
277.21719	61.7
278.22070	6.2
279.23282	21.1
280.23825	2.5
326.43484	1.6
431.19046	2.5
449.20084	2.8
473.17929	4.8
520.99066	1.6
709.41541	96.8
710.41785	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	709.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06211	0.5
57.07583	0.4
59.01371	1.0
61.98831	4.6
63.96240	1.3
66.10652	0.4
69.03452	1.0
70.18363	2.0
71.01388	7.1
72.99310	0.4
73.02947	1.6
78.98587	6.0
79.95740	13.1
80.96518	76.4
81.03459	0.9
85.02959	3.5
85.03700	0.5
87.00862	3.0
90.36404	0.4
94.98090	16.9
96.96014	1.2
97.02939	1.5
99.00868	0.7
101.02425	2.7
106.98089	3.3
113.02480	0.7
118.98182	0.4
122.97567	3.1
125.02446	3.6
127.03951	0.9
134.97569	5.2
134.98523	0.6
136.99123	2.0
148.99144	6.4
149.23000	0.5
152.98621	5.6
152.99728	0.7
164.98628	11.3
164.99992	0.6
169.08038	0.4
169.46721	0.5
171.10213	2.2
175.21588	0.4
179.00131	0.7
188.98660	0.5
206.99594	2.3
207.33217	0.4
225.00737	16.7
255.23273	2.0
279.23251	1.5
283.05008	0.6
453.14160	2.7
537.27289	1.4
709.38361	100.0
710.38666	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29076	0.7
59.01392	0.7
61.98827	5.0
63.96239	1.5
65.17163	0.6
69.03444	0.8
70.29581	2.6
71.01390	10.2
73.02941	2.5
78.98593	7.3
79.95746	13.4
80.96518	86.8
85.02946	2.9
87.00890	3.1
94.98090	21.1
96.96017	1.0
97.02947	1.9
99.00842	0.7
101.02439	2.4
103.69527	0.6
106.98067	3.9
122.97570	4.5
125.02433	3.1
134.97581	5.0
136.99144	1.8
148.99133	7.4
152.98628	7.4
164.98643	14.6
171.10248	2.8
196.02164	0.7
206.99704	2.7
224.98610	1.3
225.00746	20.5
251.39740	0.6
255.23302	1.5
437.77106	0.7
453.14288	2.7
537.27393	1.7
709.38361	100.0
710.38678	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	709.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46978	0.2
55.01874	0.6
55.32375	0.2
57.03450	1.5
58.00605	1.2
58.00847	0.2
59.01380	22.0
61.98831	3.1
68.99821	0.2
69.03461	1.1
71.01385	16.2
71.05020	0.4
72.99311	1.8
73.02950	3.2
75.00884	0.5
78.95892	0.5
81.03458	0.9
83.01396	1.8
83.05027	0.8
85.02954	3.5
87.00872	3.1
89.02445	14.5
92.92346	0.2
95.01382	0.9
97.02956	2.3
97.06557	0.5
98.20574	0.5
99.00909	1.0
99.04505	0.3
99.08154	1.5
101.02444	11.5
103.00394	0.4
107.04974	0.2
109.02947	0.4
109.06563	0.3
111.00861	0.4
111.08127	0.5
112.98810	1.5
113.02458	5.3
113.09721	1.8
119.03487	3.4
119.04955	0.3
121.02962	1.5
121.10224	0.7
122.66739	0.2
123.04549	0.3
125.02447	3.7
125.09683	0.7
127.04050	0.2
127.07678	0.3
127.11352	0.2
129.09201	2.1
131.03517	0.6
133.05098	0.4
135.04533	1.3
137.02460	0.7
137.06073	0.3
137.09761	0.3
139.04037	0.3
139.11284	2.2
143.03522	2.2
149.00923	1.3
149.04544	0.8
149.06062	0.2
149.09668	0.3
150.06863	0.8
151.11319	0.3
153.12869	0.3
155.10739	0.4
159.04518	0.3
161.02415	0.4
161.04552	2.7
163.03979	0.5
163.07649	0.5
163.11305	0.7
164.08424	0.3
165.12846	0.5
167.10759	0.6
167.14337	0.4
169.12325	0.8
171.10266	7.6
172.10640	0.4
175.03975	0.4
179.03520	0.4
179.05620	3.2
179.10701	0.4
181.12361	2.1
183.13943	1.3
185.04504	0.3
185.11842	0.6
193.12325	2.8
195.61700	0.3
197.11836	3.6
199.11757	0.3
199.13373	1.6
209.11868	1.5
211.13380	8.8
212.13788	0.6
218.17381	0.3
221.06638	1.0
227.12914	0.7
235.08220	3.8
249.22218	0.6
250.22820	0.3
253.09276	1.0
263.07620	0.6
265.21924	0.3
275.20093	0.9
277.09256	0.3
287.07816	0.5
293.03210	0.3
293.21225	12.0
294.21671	0.9
305.08624	0.7
311.22269	100.0
312.22614	10.3
323.09903	0.5
335.22485	0.3
397.13489	23.2
398.13846	2.0
403.28162	0.2
415.14551	25.0
416.14883	2.0
504.30795	0.3
505.31693	0.4
551.95227	0.3
577.26465	0.3
649.38843	0.8
709.36951	3.2
710.36609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
56.65698	0.4
57.03434	1.0
59.01381	15.9
61.98830	25.8
67.01891	0.4
68.99822	0.4
71.01388	6.6
72.99311	1.5
73.02953	2.1
75.00871	0.3
81.95948	0.4
83.01402	1.2
83.05002	0.4
85.02958	3.1
87.00869	2.2
88.98792	0.4
89.02441	3.3
93.03456	1.3
93.22692	0.3
95.01397	0.8
96.96023	0.4
97.02974	0.7
98.20667	0.6
99.00898	1.1
101.02432	4.1
103.00348	0.7
108.02173	0.5
109.02919	0.8
112.98815	3.5
113.02451	4.5
117.16631	0.4
119.03568	0.7
119.05061	2.0
121.02954	100.0
122.03286	3.5
123.04512	0.4
123.08054	0.5
124.01652	0.5
125.02423	1.1
130.99870	0.4
131.03482	0.4
134.03737	1.1
135.04512	2.7
137.02434	2.3
143.03497	0.9
145.02953	0.4
149.00890	1.5
149.02492	0.6
149.04601	0.5
150.03201	1.2
151.00412	0.6
151.04005	0.4
152.01123	0.5
161.02467	1.0
161.04576	1.5
161.05980	0.5
163.04047	1.9
163.07654	0.6
164.04602	0.3
165.05598	1.1
167.03442	0.6
175.03975	0.9
179.03493	1.3
179.05618	0.7
179.07091	0.6
181.05074	0.5
193.04993	0.8
193.08745	0.5
204.07936	0.5
205.08675	0.4
207.13863	0.5
218.09489	1.3
219.02994	0.8
219.10149	0.5
227.12865	1.0
229.87137	0.5
233.11771	0.5
279.05063	0.4
293.03171	0.5
370.14066	0.6
385.16541	3.4
386.16757	0.4
487.32758	0.6
501.23343	1.8
505.33679	1.3
543.24695	0.9
547.21777	1.6
577.26617	1.0
649.38104	6.9
650.37421	0.8
667.39093	4.8
668.39697	0.5
709.28253	0.6
709.39630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03451	1.5
58.00590	0.7
59.01384	21.4
60.01713	0.3
61.30727	0.3
61.75571	0.3
61.98834	2.8
67.96320	0.3
68.99828	0.4
69.03455	1.2
71.00985	0.7
71.01385	13.5
71.05006	0.3
72.99299	1.6
73.02949	2.3
75.00860	0.4
81.03459	0.8
83.01405	1.5
83.05013	0.6
85.02959	3.6
87.00880	3.0
89.02446	13.3
95.01400	1.1
96.21450	0.3
97.02952	2.7
97.06577	0.3
99.00880	0.9
99.08154	1.2
101.02446	10.7
103.00365	0.6
109.02991	0.4
111.08218	0.5
112.98798	1.0
113.02454	5.7
113.09739	1.5
119.03501	3.6
119.05019	0.4
121.02950	1.4
121.10209	0.4
123.08213	0.3
125.02462	3.8
125.09662	0.5
127.04072	0.3
127.07661	0.4
129.09242	2.4
131.03477	0.5
133.05130	0.4
135.04573	1.5
137.02493	0.7
139.04068	0.3
139.11313	1.9
143.03481	1.6
149.00906	0.8
149.04562	0.6
150.06856	0.6
151.11227	0.4
152.32262	0.3
153.12888	0.5
161.02478	0.5
161.04541	2.6
163.04086	0.3
163.11232	0.5
165.12871	0.6
167.10780	0.7
169.12360	1.1
171.10265	6.4
175.11304	0.4
179.03642	0.4
179.03937	0.5
179.05623	3.5
181.12334	2.1
183.13921	1.1
185.11722	0.5
193.12309	3.2
197.11838	3.7
198.12100	0.5
199.13419	1.6
209.11835	1.4
211.13394	8.8
221.06685	1.1
235.08197	3.3
249.22162	0.5
253.09253	1.2
263.07779	0.6
265.21744	0.4
275.20193	0.7
287.07745	0.9
293.21228	10.8
294.21558	1.1
305.08823	0.8
311.22281	100.0
312.22604	10.2
356.48822	0.3
397.13501	21.0
398.13736	2.1
415.14566	23.8
416.14664	1.9
505.31662	0.5
649.39087	0.5
678.56177	0.3
709.37329	2.8
710.37408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.4
57.00576	0.4
57.03437	0.5
59.01381	6.7
61.78178	0.3
61.98831	1.1
71.01380	2.2
72.99332	0.9
73.02944	0.7
83.01405	0.8
84.99313	0.4
85.02962	1.5
87.00870	0.9
89.02463	1.1
92.59341	0.3
93.03465	0.6
98.20695	0.9
101.02449	1.2
111.00882	0.3
112.98813	3.6
113.02472	1.8
117.90394	0.3
119.03496	0.7
119.05030	0.5
121.02959	100.0
121.72010	0.4
122.03302	3.2
124.01695	0.5
125.02460	0.6
126.04169	0.4
134.03746	1.1
135.04552	1.0
137.02533	0.5
143.03535	0.4
149.00960	0.7
149.02370	0.5
149.06053	0.5
149.09769	0.4
152.01402	0.3
159.70721	0.4
160.01671	0.3
161.02417	0.3
161.04607	0.5
163.04007	0.5
174.28262	0.3
175.03998	0.8
176.01080	0.5
179.03484	0.6
184.87465	0.3
190.02661	0.4
191.03357	0.6
193.05048	0.7
193.08669	3.8
194.08936	0.4
207.06905	0.3
219.03168	0.4
223.06065	0.7
227.12671	0.4
230.01680	0.5
233.04626	0.9
256.07755	0.4
263.05637	0.5
289.03656	0.4
307.04501	1.1
337.01093	0.4
337.05560	0.9
385.12750	0.9
501.23447	2.4
543.24622	1.2
547.18378	2.4
555.74225	0.4
647.90771	0.4
649.38074	1.5
667.39148	1.0
709.39417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
57.91515	0.4
59.01382	2.9
61.98827	0.7
67.89348	0.5
69.44846	2.8
69.45257	1.0
69.76723	0.4
71.01383	2.9
83.01382	0.8
87.00875	1.5
89.02443	1.0
93.03471	1.2
96.95994	0.7
99.00877	0.5
99.04499	0.9
101.02432	1.2
106.04234	1.1
107.05032	5.0
108.02192	0.8
109.02919	0.5
111.00863	0.5
112.98804	1.9
114.73026	0.4
115.00402	0.5
116.92852	1.0
117.03467	12.7
117.55363	0.4
118.03861	0.4
119.05025	73.6
120.05369	3.3
121.02949	1.3
125.02445	1.8
130.04224	1.0
131.05022	2.8
132.91971	0.4
133.02956	0.5
133.06599	7.1
134.03738	1.0
135.04517	1.9
136.29163	0.5
145.02956	7.5
146.03426	0.6
147.04526	1.3
149.00890	0.5
149.06067	4.6
151.03984	0.5
158.03712	1.3
159.04506	10.2
161.04616	0.5
161.06052	1.1
163.04004	100.0
164.04347	4.4
165.05563	0.5
175.04008	1.7
177.05554	7.8
179.03490	9.6
180.03856	0.9
193.05104	1.2
203.03499	14.5
204.03856	1.3
205.05096	1.1
221.04541	3.5
234.23843	0.5
242.11079	0.4
277.03607	1.3
325.09268	72.5
326.09619	6.9
355.10281	0.5
367.10269	1.0
447.50677	0.5
449.49548	0.4
487.14661	1.2
526.75159	0.5
547.14417	6.7
548.15027	1.3
577.25024	0.9
585.58032	0.5
709.19495	4.8
710.19580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81171	0.2
55.41043	0.2
55.89500	0.2
57.03455	0.5
59.01382	7.8
61.98835	1.6
68.49547	0.2
68.99803	0.3
69.03448	0.2
71.01382	3.3
71.61958	0.3
72.99319	1.1
73.02951	1.3
75.00884	0.2
77.03963	0.2
83.01385	0.6
83.05031	0.3
84.99337	0.6
85.02956	1.5
87.00883	1.9
88.98802	0.5
89.02453	1.4
90.18680	0.2
93.03460	0.7
95.01406	0.4
96.32329	0.2
96.95952	0.2
97.02953	0.4
99.00885	0.6
101.02447	2.1
108.02130	0.3
109.02942	0.3
111.00875	0.3
112.98817	5.3
113.02458	2.0
115.34997	0.2
116.92833	0.3
117.03445	0.3
119.03505	0.5
119.05024	0.7
121.02960	100.0
122.02483	0.3
122.03288	3.5
123.04574	0.3
125.02471	0.6
130.99846	0.3
133.02994	0.3
134.03755	1.7
135.04568	1.3
137.02487	1.2
139.03957	0.3
143.03563	0.3
145.02925	0.3
147.04546	0.3
149.00964	0.8
149.02417	0.5
149.06117	0.7
149.09647	0.2
150.03253	0.3
152.01099	0.2
160.01625	0.4
161.02406	0.5
161.04538	0.5
162.03267	0.4
162.46184	0.2
163.03996	0.6
163.07658	0.3
164.04875	0.2
165.05627	0.3
167.03339	0.2
174.03198	0.2
175.03969	0.6
176.01140	0.3
177.01941	0.3
177.05394	0.3
178.02742	0.5
179.03522	0.7
179.07150	0.2
190.02779	0.5
191.03520	0.5
191.07193	0.3
193.05095	0.9
193.08667	2.8
194.09131	0.2
205.05084	0.5
205.08452	0.2
207.14037	0.3
209.08255	0.3
219.03038	0.4
223.06107	0.3
227.12900	0.5
233.04587	0.8
263.05624	0.3
268.03677	0.2
269.04547	0.6
275.05453	0.2
293.02951	0.4
307.04538	1.7
337.05969	0.6
353.06412	0.2
379.07144	0.2
383.11572	0.4
385.12521	0.3
385.17032	0.3
415.14050	0.4
487.32297	0.2
501.23431	1.8
502.24017	0.3
505.33920	0.5
515.26459	0.3
543.24524	1.3
544.24658	0.3
547.17499	1.7
548.18298	0.3
561.26331	0.2
577.26880	0.6
649.38147	2.1
650.38812	0.2
665.36786	0.3
665.59857	0.2
667.39227	1.3
709.41046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	55.4
59.01380	27.2
61.98816	1.9
65.00299	1.3
68.30949	0.8
68.99815	3.5
69.03458	2.7
71.01379	9.2
71.61517	0.9
71.61938	1.0
72.99313	6.6
73.02941	3.7
81.03452	2.9
83.00893	1.8
83.01389	35.5
84.99335	4.4
85.02952	4.5
87.00872	17.0
87.01356	1.4
89.02441	2.2
90.64326	0.8
93.03429	1.8
95.01403	0.8
97.02946	14.8
99.00873	1.7
99.04523	45.0
101.02444	26.7
103.00328	1.6
109.02975	1.3
111.00883	2.5
112.98815	51.5
113.02434	5.3
116.92846	1.3
117.03478	6.5
119.05029	41.6
121.02951	3.3
121.49643	0.9
123.04514	2.3
125.02447	100.0
126.02760	3.1
127.00379	5.8
129.03462	1.0
130.99828	1.7
131.05043	1.1
133.02991	2.7
135.04549	5.1
139.03989	2.9
143.03503	11.2
143.05013	2.8
145.02960	24.6
146.03302	1.8
147.04517	14.4
149.00902	3.6
149.02380	2.3
161.02446	3.1
161.04556	8.0
161.06044	3.3
163.03999	15.6
163.18857	0.9
165.05319	0.8
167.03539	4.8
175.02489	1.3
175.03989	10.1
177.05609	0.8
177.81798	0.8
179.03418	4.3
182.28494	0.8
185.04527	6.3
189.05505	0.9
193.05020	0.8
193.08731	1.2
202.84183	0.8
203.03513	39.7
203.05551	5.6
204.03798	2.5
205.05055	1.2
215.03493	8.0
221.04636	0.9
226.14838	0.8
233.04501	1.8
243.08687	3.5
245.06621	8.7
259.02423	3.7
269.06537	1.1
277.03519	57.5
278.03778	3.6
285.66565	0.9
287.07730	2.8
329.08682	7.5
369.11777	2.8
371.09836	8.3
413.10648	4.6
431.11932	18.0
432.11945	1.5
437.09927	1.3
499.76852	0.8
640.52704	0.9
673.34442	1.0
728.26025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21241	0.3
59.01382	27.4
60.01708	1.3
61.98832	100.0
69.40922	2.1
71.01395	0.3
78.95930	0.9
88.69956	0.3
98.19895	0.5
101.02451	0.4
108.21387	0.3
150.74185	0.3
152.99673	0.9
171.10460	0.3
201.11328	0.7
205.97560	0.3
209.11905	0.7
211.13396	0.3
226.08638	0.5
261.73315	0.3
277.21664	5.0
277.24326	0.4
278.22092	2.9
279.23111	0.8
287.18817	0.3
291.23373	0.6
292.23657	0.3
319.22864	0.3
320.23340	0.4
473.18393	0.6
501.02457	0.3
545.94971	0.3
709.39722	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25466	0.7
57.03450	55.8
57.23029	0.7
59.01379	33.1
61.98832	6.6
66.96702	0.8
67.86044	0.8
68.99815	2.1
69.03461	2.4
69.49309	3.3
69.49734	4.0
71.01380	13.7
72.99297	4.6
73.02940	4.7
81.03461	2.9
83.01390	25.8
84.99311	3.9
85.02952	4.0
87.00877	11.1
88.98782	1.1
89.02444	3.7
93.03474	1.0
95.01404	1.1
97.02943	13.6
97.06641	1.2
98.19901	2.1
99.00892	2.4
99.04518	44.7
100.04813	1.0
101.02441	23.6
102.47644	0.9
103.00391	1.2
110.78728	0.8
111.00849	1.7
112.98810	39.3
113.02428	5.2
113.99125	0.9
116.97103	1.1
117.03454	3.7
119.03529	1.6
119.05019	18.6
120.05271	1.1
121.02953	2.2
122.02489	1.5
123.04518	2.0
123.67573	0.9
125.02444	100.0
126.02785	3.0
127.00391	1.5
130.99835	3.3
133.02982	1.3
135.04515	5.0
137.02434	1.2
139.04005	3.4
143.03497	9.0
143.05072	0.9
145.02948	11.9
147.04532	6.6
149.00922	5.0
149.02454	1.7
149.06035	1.1
161.02444	2.5
161.04503	6.2
161.05785	1.0
163.04015	8.2
165.05553	0.9
167.03462	2.5
167.87317	0.9
175.04004	5.0
179.03494	4.5
181.04935	0.9
185.04535	3.3
195.06538	0.9
203.03473	15.7
203.05574	5.8
204.03822	1.4
205.04970	0.9
215.03426	3.0
229.09833	0.9
243.08646	3.4
245.06633	5.3
246.86655	0.9
247.76614	0.9
259.02435	1.4
277.03555	14.0
287.07733	1.9
293.02567	1.1
298.59225	0.8
323.98300	0.9
329.08725	7.7
364.34695	0.8
369.11948	3.2
371.09787	6.6
413.10880	4.0
431.11908	29.6
432.12289	3.9
483.16476	1.4
501.25848	1.2
505.16113	1.2
545.11053	1.1
563.12500	3.1
577.25372	1.5
667.31812	1.9
680.35358	1.0
691.26117	3.7
709.32880	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	707.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01719	1.2
61.98835	2.2
64.49924	0.4
70.85555	1.2
71.01391	0.5
78.95904	0.9
110.11923	0.4
137.41467	0.4
150.06895	0.6
211.13420	2.2
244.91855	0.4
250.19153	0.4
251.44312	0.4
277.21881	1.8
282.67172	0.4
342.22049	1.0
374.61124	0.4
542.05090	0.5
705.79156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
60.01734	0.2
61.98832	100.0
62.98537	0.2
69.41663	0.9
72.18912	0.1
78.95935	0.1
81.63605	0.1
95.90780	0.1
152.99550	0.1
201.11371	0.1
209.11848	0.2
277.21695	1.2
278.19235	0.1
278.22174	0.4
279.22925	0.1
295.05426	0.1
473.18103	0.2
709.39465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68921	1.0
57.47099	1.0
58.00593	1.0
58.39249	1.0
59.01381	100.0
61.98825	9.7
71.01382	3.0
71.62039	0.9
73.02944	3.2
78.95905	3.4
83.05028	3.6
84.80817	0.9
89.02445	1.1
94.30830	1.1
101.02464	1.2
112.71907	1.1
152.99582	4.2
189.09140	1.0
202.94667	1.0
207.10153	1.9
209.11821	2.2
211.13316	2.2
220.90067	0.9
222.74667	1.0
225.11279	1.8
277.21729	19.1
278.22003	1.8
279.23306	22.8
280.23618	1.5
293.24924	11.8
294.25226	1.3
303.23264	2.0
321.24347	7.0
364.37537	1.0
453.14758	1.7
471.16229	3.0
707.37976	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	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01713	1.1
61.98834	0.4
68.63679	0.2
69.33764	1.4
71.01398	0.6
85.02954	0.2
89.02465	0.3
94.91319	0.2
97.96097	0.2
101.02448	0.2
107.29395	0.2
113.02483	0.3
123.08208	0.3
139.88170	0.2
161.04613	0.2
163.11287	0.3
179.05577	0.2
189.12941	0.5
192.84070	0.2
193.12332	0.2
207.13924	0.6
209.11792	0.2
211.13429	0.6
250.28723	0.2
277.21719	19.0
278.22134	1.6
279.23325	0.2
291.23331	1.3
292.23676	0.2
319.22855	0.7
487.07147	0.2
526.77893	0.3
599.40723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72031	0.2
59.01381	100.0
60.01717	0.8
60.27016	0.3
61.98834	0.6
71.01383	1.7
73.02970	0.3
77.20951	0.2
79.83305	0.3
83.01419	0.3
85.02965	0.9
89.02460	0.9
98.20708	0.6
101.02434	1.3
113.02489	0.8
119.03492	0.4
142.60295	0.2
143.03490	0.2
144.19585	0.2
161.04587	0.8
171.11732	0.2
209.11847	0.4
211.13348	0.9
225.11301	0.3
229.83308	0.3
235.24670	0.3
237.62886	0.3
277.21716	32.3
278.22083	3.3
279.23105	0.4
281.03482	0.3
291.23267	0.5
319.22400	0.2
341.23624	0.3
387.20233	2.1
396.04901	0.3
573.38568	0.3
707.38434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34781	0.5
59.01382	70.5
60.01698	1.3
61.98830	100.0
63.86585	0.5
70.70448	0.5
71.01367	1.9
71.61045	0.8
71.98261	0.5
73.02946	1.4
78.95908	1.4
83.05000	0.9
89.02452	0.8
99.70128	0.5
101.02410	0.8
109.35086	0.5
113.02438	0.8
152.20114	0.6
152.99471	1.9
156.76801	0.5
207.10013	0.7
209.11595	0.8
211.13417	6.0
212.13554	0.6
273.22113	0.7
277.21719	31.0
277.24661	1.6
278.22095	4.8
279.22614	1.8
291.23270	6.5
292.23340	1.4
319.22284	1.9
329.81683	0.5
471.15381	1.8
707.36353	1.7
708.37054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96221	0.3
59.01381	100.0
60.01719	0.8
61.98829	0.8
70.73804	1.0
71.01375	0.8
78.91263	0.3
78.95897	0.4
101.02483	0.5
115.80717	0.3
115.96106	0.3
116.92892	0.4
189.13002	0.5
207.13942	0.9
211.13443	1.0
277.21725	18.0
278.22043	2.2
279.23206	0.7
291.23520	0.3
302.24625	0.3
389.89365	0.3
527.59296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	0.9
61.98831	0.9
69.77901	0.5
71.01390	1.0
78.95898	0.5
83.40683	0.4
89.57337	0.3
98.19918	1.0
101.02465	0.5
113.02454	0.7
116.92867	0.6
150.85335	0.4
152.99664	0.5
171.53006	0.4
211.13452	1.1
229.44655	0.5
261.23395	0.4
277.21704	18.4
278.21979	1.8
279.23300	0.7
284.03421	0.4
285.03973	0.4
291.23410	0.9
565.25623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80172	0.6
55.01851	0.8
57.03443	1.2
58.00592	2.2
59.01381	28.4
60.90152	0.6
61.98829	23.6
69.03452	2.4
71.01385	19.5
72.99297	3.1
73.02951	5.4
75.00876	0.6
77.47994	0.5
81.03433	0.6
83.01404	2.1
83.05039	1.1
85.02956	5.0
87.00880	6.0
88.98795	0.9
89.02443	17.8
95.01410	1.1
96.96006	1.0
97.02961	3.9
99.00864	1.9
99.04517	0.7
101.02447	14.1
101.40300	0.6
102.02736	0.7
102.83205	0.6
107.92048	0.6
109.02935	0.5
109.06577	1.6
111.08160	10.5
112.98817	4.2
113.02445	8.1
114.02811	0.7
119.03510	5.7
119.05003	1.9
121.02956	2.9
123.04470	0.9
125.02428	3.9
125.09743	0.8
127.07656	1.6
131.03485	1.1
133.02971	0.9
135.04543	3.2
137.09744	1.2
143.03477	2.0
145.02989	0.5
149.00899	1.2
151.11249	1.3
153.12819	0.8
161.02478	0.7
161.04547	3.3
163.03969	0.8
163.11351	0.9
165.12769	0.8
167.03494	0.6
167.10738	0.8
169.12357	3.3
171.10249	3.3
175.03964	0.8
178.02731	0.7
179.03622	2.8
179.05556	4.9
179.10724	0.8
181.12289	1.2
183.13919	4.8
185.11900	0.7
197.11829	45.2
198.12154	3.3
199.09589	0.6
199.13364	2.1
201.11249	1.0
207.10242	1.9
209.11768	1.3
211.13387	6.6
212.13878	0.7
221.06635	0.6
223.17046	0.7
225.11313	1.2
227.12878	2.4
235.08263	3.9
237.07718	1.4
247.20668	0.9
248.57977	0.7
253.09286	2.1
263.20169	4.0
267.15967	1.7
273.18652	1.0
290.18356	0.6
291.19666	15.1
292.20056	1.2
305.08566	0.8
308.19342	0.6
309.20709	100.0
310.21109	10.1
323.09845	0.6
325.40460	0.7
341.08859	0.6
397.13470	18.8
398.13889	1.7
414.23102	0.9
415.14581	32.4
416.15018	3.6
439.87265	0.7
647.37122	1.1
663.33875	1.4
707.35034	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	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56870	0.3
55.01880	1.1
57.03435	1.8
58.00593	2.6
59.01379	27.6
60.99314	2.7
61.98828	2.1
69.03117	0.5
69.03454	2.9
71.01382	19.9
71.05010	0.6
72.99318	1.9
73.02950	3.7
75.00866	0.4
81.03461	1.1
83.01380	1.9
83.05007	1.0
85.02950	4.2
87.00888	4.0
88.98248	0.8
88.98805	18.0
89.02444	20.6
93.03496	0.4
95.01369	1.8
96.95975	0.5
97.02950	5.6
97.06585	0.6
99.00892	0.9
99.04536	0.4
101.02441	15.5
103.00365	0.4
109.02916	0.5
109.06612	0.6
111.00917	0.4
111.04524	0.9
111.08162	6.5
112.08473	0.4
112.47921	0.4
112.98800	1.1
113.02457	7.6
119.03503	5.1
119.05080	0.6
119.08666	0.7
121.02931	0.6
123.04512	0.8
125.02442	4.7
125.09692	1.2
127.07676	0.9
128.08098	0.5
131.03511	1.2
132.60762	0.4
135.04529	2.1
137.02452	0.5
137.09706	2.1
139.00362	0.4
141.01933	0.4
143.03497	3.1
149.00841	0.5
149.04521	0.6
150.03227	0.7
151.11226	0.7
153.12816	0.6
161.04572	3.7
163.11310	0.7
165.12804	1.9
167.03539	0.6
167.10841	0.5
169.12341	3.2
171.10260	6.3
179.03566	1.2
179.05623	5.1
179.10840	0.5
181.12378	1.6
183.13879	0.8
185.11826	1.3
193.12263	0.9
197.11832	31.9
198.12222	1.9
199.07610	0.5
199.13339	1.7
205.22913	0.4
207.10283	0.5
209.11838	1.7
211.13423	4.8
212.13867	0.6
221.06622	1.3
223.13412	0.4
225.11334	0.5
227.12859	2.0
229.47816	0.6
235.08252	3.4
247.20680	2.0
253.09274	1.6
263.07803	0.8
263.20157	1.9
265.18121	0.8
273.18671	1.6
287.07596	1.1
291.19644	25.4
292.19965	2.4
293.02838	0.5
305.08908	1.3
309.20706	100.0
310.17435	0.6
310.21024	11.1
323.09793	1.2
369.13303	2.7
397.13492	26.6
398.13770	2.8
415.14554	34.9
416.14951	4.1
545.33185	0.5
573.19507	1.2
663.33783	0.6
707.35632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.9
57.03454	4.1
57.91269	1.5
58.00576	2.0
58.21207	1.7
59.01093	3.0
59.01381	52.4
61.98826	12.4
64.64545	1.4
71.01384	37.5
71.61359	1.8
71.96128	1.5
72.99307	3.0
73.02937	6.5
78.95863	2.4
80.92192	1.6
81.03454	2.9
83.01395	3.8
83.05001	3.5
85.02949	8.5
87.00882	9.0
88.98789	3.2
89.02448	29.7
89.03928	2.1
93.03456	2.1
95.01395	2.7
96.96037	1.8
97.02943	4.5
101.02447	26.5
109.02944	1.7
111.08159	11.9
112.98817	5.4
113.02451	12.3
119.03503	9.7
121.02962	2.2
125.02431	5.9
134.03714	6.6
135.04520	4.3
143.03493	3.1
149.00797	1.9
149.06085	4.0
161.04546	5.6
163.04114	1.7
163.07594	1.9
167.10710	2.2
170.79059	1.7
176.15443	1.5
177.12891	2.0
177.70494	1.7
179.03406	2.0
179.05675	7.9
185.95735	1.6
193.47661	1.8
195.13910	5.4
197.21176	1.5
207.89885	1.6
211.90837	2.0
221.06544	1.9
227.12878	2.5
235.08163	8.1
291.19650	100.0
292.19986	7.4
296.87793	1.6
309.20670	2.7
353.13837	2.4
397.13574	16.0
398.13861	2.6
398.99258	2.7
415.14536	14.6
501.50342	1.7
520.55762	1.7
707.38916	2.4
708.39838	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	705.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
59.01382	33.8
61.98827	3.3
67.06826	1.0
71.01379	11.9
71.61798	1.3
73.02931	3.5
85.02950	4.1
89.02457	7.5
89.72961	0.9
95.01409	1.4
99.65366	0.9
101.02433	4.3
102.12773	1.0
113.02439	8.3
119.03486	2.6
123.08219	0.9
127.07637	1.2
147.08177	1.3
153.09218	2.2
161.04562	3.5
165.02042	0.9
179.05588	2.7
184.47491	0.9
205.12270	4.7
209.11897	2.3
223.13467	1.5
273.22156	2.6
277.21725	100.0
278.22089	10.4
291.23328	22.9
292.23563	2.5
301.12161	1.0
301.21658	3.3
319.22739	9.7
320.23257	1.1
323.37042	1.0
349.23700	1.1
367.17139	1.3
385.18726	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	706.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
61.98830	100.0
64.57539	0.2
71.61364	0.3
82.86066	0.2
83.69261	0.3
90.84664	0.2
91.01350	0.2
100.88018	0.3
106.88729	0.3
123.62907	0.2
128.44107	0.2
142.50745	0.3
146.94919	0.3
152.04584	0.3
153.56035	0.3
184.15448	0.3
224.65018	0.2
277.21683	0.3
322.23758	0.3
341.14108	0.3
607.96442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90905	0.5
54.45566	0.5
55.01864	0.9
57.03439	1.5
58.00583	1.9
59.01378	30.1
61.98816	2.3
69.03442	2.1
69.42563	2.1
69.42991	2.5
71.01379	20.6
72.99313	2.2
73.02946	4.5
78.95855	0.5
81.03454	1.0
83.01387	2.2
83.05016	0.8
84.63319	0.5
85.02956	4.7
87.00868	4.0
88.98801	0.7
89.02444	19.3
91.03976	0.8
95.01369	1.0
95.70020	0.6
96.96001	0.7
97.02927	4.6
99.00856	1.9
101.02441	17.1
103.00362	0.7
109.02895	0.9
109.06567	1.1
111.08154	11.6
112.98795	2.1
113.02457	8.7
115.74944	0.5
119.03522	5.9
119.04961	1.3
121.02963	1.2
125.02424	4.1
127.07639	0.8
131.03525	1.0
135.04521	2.1
137.02412	0.6
137.09749	0.6
143.03528	2.9
145.02946	0.6
151.11273	0.9
153.12866	1.2
161.04579	3.3
163.03949	1.2
169.12355	4.7
171.10220	1.3
179.03500	1.6
179.05632	5.0
179.10811	1.0
181.12381	1.6
183.13867	1.3
185.04491	0.6
193.12398	0.6
197.11833	54.4
198.12169	3.1
199.13356	2.9
207.10268	1.0
209.11862	1.4
211.13385	6.0
221.06642	1.3
225.11255	0.7
225.14845	3.1
227.12883	1.6
235.08229	4.6
253.09401	1.5
263.20233	3.0
265.18045	1.5
273.18671	1.0
287.07556	1.2
291.19659	14.8
291.22995	0.8
292.20105	1.7
305.08746	0.7
309.20703	100.0
310.21008	9.4
323.09940	0.7
397.13504	23.6
398.13538	2.5
415.14551	33.1
416.14911	3.4
545.33356	1.4
551.58344	0.6
646.37097	0.7
663.33459	0.6
707.35962	2.2
708.35175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00606	0.8
59.01382	100.0
60.01722	1.1
61.98847	1.1
69.03462	0.5
69.40131	0.3
69.40437	3.3
71.01386	5.5
73.02951	3.6
75.00888	0.4
83.01395	0.6
83.05022	6.9
83.05513	0.4
85.02943	0.9
89.02477	1.7
101.02428	2.7
102.45953	0.3
103.36627	0.3
109.06622	0.3
112.51126	0.3
113.02457	2.6
119.03528	1.7
121.06628	1.0
125.02520	0.4
125.06146	0.5
135.80888	0.4
139.07666	0.7
143.03516	0.4
161.04602	1.8
200.52020	0.4
205.12386	1.1
209.11810	3.0
255.21149	0.6
263.23843	0.8
273.22198	3.0
274.22513	0.4
277.21725	34.6
278.22086	3.8
291.23297	26.8
292.23669	3.1
301.21710	3.7
302.22070	0.6
319.22775	13.4
320.23199	1.5
331.22772	0.8
349.23874	1.5
373.23932	0.8
379.24884	0.9
439.27301	0.4
701.41467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.1
56.14520	1.0
56.76889	1.0
57.03427	3.2
58.00574	1.6
59.01381	22.8
59.47844	1.1
60.99261	1.0
61.98836	11.2
65.93353	0.8
69.03444	3.2
70.60233	2.5
71.01378	14.9
71.05005	4.3
72.99295	2.9
73.02940	5.2
81.03439	1.6
83.01373	2.0
83.05015	2.2
84.75555	1.0
85.02925	4.6
85.10089	1.0
85.35773	1.2
86.08300	1.0
87.00467	1.1
87.00879	12.9
89.02451	7.1
93.03446	1.3
95.01380	1.8
95.05014	1.9
95.43071	0.9
96.96017	5.9
97.02938	4.7
97.06577	3.3
97.93999	1.1
99.00886	21.5
99.04510	1.3
99.05168	1.0
101.02438	8.8
101.51425	1.2
109.02959	1.1
109.06561	1.8
110.39056	1.0
112.98816	9.4
113.02459	6.3
116.92872	5.2
119.03458	2.3
119.04984	2.3
121.02969	2.2
123.08126	1.4
125.09721	7.2
130.99760	1.1
133.02979	2.0
133.05045	3.8
134.03719	1.9
135.04523	11.7
135.08141	1.2
137.02419	2.4
137.09628	1.6
142.02675	1.3
149.00893	5.3
150.03178	2.1
151.00392	1.5
151.03937	1.1
161.02478	2.9
161.04498	3.8
161.05946	1.0
161.09676	2.6
163.03955	2.3
163.11285	9.0
171.10251	1.8
175.03926	1.2
177.01811	1.4
177.09215	1.4
179.03479	6.3
179.05557	2.0
179.10721	3.1
181.12347	15.5
182.12744	1.4
185.00912	1.2
193.04967	1.2
197.11812	15.1
199.13425	8.8
201.11264	10.1
202.11452	1.2
207.10248	28.4
208.10561	2.1
209.11856	11.2
211.59413	1.1
219.03004	2.2
225.05582	1.0
225.11322	42.7
226.11598	3.6
227.12889	1.1
243.10123	1.4
243.12372	21.8
244.12558	2.2
253.09280	3.1
271.02423	2.5
283.18353	1.3
285.11404	1.4
293.02878	3.2
299.01855	5.5
300.02704	2.4
351.12317	3.5
461.20197	2.2
479.21445	10.5
543.27643	1.7
608.13574	3.7
613.71332	1.3
629.22266	1.4
661.30518	5.6
687.32147	17.5
688.32172	4.6
705.33319	100.0
706.33618	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56314	0.6
55.01873	1.5
57.03452	3.6
58.00600	2.8
59.01384	50.9
60.01722	0.8
61.98835	4.3
66.91690	0.7
68.99776	0.5
69.03460	3.1
69.30425	1.3
69.30827	6.0
69.83520	0.5
71.01388	37.7
71.05045	0.7
72.99313	2.8
73.02946	6.4
75.00863	1.0
78.95911	0.9
81.03467	4.3
83.01395	6.5
83.05035	2.3
85.02955	9.8
87.00885	10.2
88.98843	0.9
89.02451	38.1
90.02805	0.7
91.04019	0.9
93.03436	0.9
95.01379	2.8
95.05026	2.9
96.96027	0.7
97.02961	8.0
97.06601	5.6
99.00875	2.8
99.04538	0.8
101.02449	34.5
102.05423	0.7
103.00388	1.0
106.04250	1.1
108.02208	0.8
109.02979	1.5
109.06600	2.1
111.00857	0.9
111.04531	1.4
111.08170	1.7
112.98815	2.8
113.02459	14.4
115.04010	0.8
116.92963	0.6
119.03516	12.9
119.04964	1.0
121.06625	1.5
123.04549	4.1
123.08157	2.0
125.02457	10.6
125.06090	1.1
125.09734	6.5
131.03513	1.6
133.02942	1.0
133.05168	0.6
134.03764	1.3
135.04527	2.9
135.08148	1.5
137.02402	1.5
137.06094	0.9
137.09755	3.7
141.02005	1.3
141.09172	0.6
143.03517	5.0
147.08138	0.8
149.04572	1.4
149.06116	1.2
149.09676	0.7
151.04063	0.7
151.11298	1.8
153.09201	0.8
161.04570	8.1
161.09778	1.4
163.03975	0.8
163.07597	0.7
163.11301	8.5
165.09229	1.1
165.12851	4.7
167.03493	3.1
170.06477	0.6
171.10242	1.8
176.76846	0.6
177.12889	1.1
178.02666	0.7
179.03430	1.0
179.05635	9.0
179.10698	1.8
181.12433	4.7
183.13893	2.3
185.04515	1.1
185.11841	6.2
191.10773	2.7
191.14424	9.0
192.14830	0.9
193.12344	0.8
194.35710	0.7
197.11824	1.5
203.14311	0.7
205.12366	1.1
207.10277	4.6
209.11838	29.2
210.12192	1.6
211.13387	5.9
217.15996	2.0
219.13821	0.7
221.06725	3.0
225.11293	4.0
227.12924	5.0
235.08261	9.5
237.11296	6.4
245.19110	18.4
246.19487	1.4
253.09238	2.9
262.76917	0.6
263.07767	1.9
263.20190	6.1
271.17126	1.7
277.09329	0.9
281.21240	2.2
287.07858	1.8
289.18109	72.9
290.18430	6.1
291.19727	0.8
305.08856	2.4
307.19165	100.0
308.19485	9.3
309.61929	0.6
323.09821	1.2
325.20306	1.6
339.88354	0.7
345.17276	0.9
370.33542	0.7
379.12405	0.9
397.13513	43.4
398.13898	2.9
415.14569	38.9
416.15164	2.8
607.26123	6.2
608.26636	1.1
645.25653	0.7
673.34131	1.1
687.33167	1.1
705.33179	7.3
706.34418	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37506	0.5
54.47357	0.5
57.03435	0.7
59.01379	13.8
61.98828	5.8
69.03454	0.5
69.74451	2.4
70.52260	0.5
71.01385	21.7
72.01780	0.5
72.99296	1.5
73.02941	3.6
79.84344	0.5
83.01406	1.8
85.02941	2.7
87.00877	14.3
87.04514	1.8
89.02449	21.9
93.03450	0.7
95.01401	0.7
96.96008	8.7
97.02924	0.6
98.20639	1.0
99.00887	8.4
99.04514	0.7
101.02448	3.4
108.02234	0.6
108.04520	0.6
109.02979	1.1
111.00884	0.9
112.98824	4.6
113.02463	2.8
115.04094	0.6
116.92877	0.9
117.05616	0.6
119.03516	1.1
119.05038	2.4
121.02958	0.9
122.06129	2.4
123.04491	0.5
124.04072	0.8
125.02447	1.3
131.03519	1.0
133.05074	100.0
134.03740	1.0
134.05309	2.7
135.04527	5.1
136.04047	0.8
137.02477	0.9
143.03482	1.0
145.02936	1.2
147.04459	0.6
149.00978	3.3
149.02490	0.6
149.04576	7.1
150.05630	2.1
151.00359	2.4
151.03976	0.6
151.07664	1.0
152.01146	0.9
153.01941	0.6
159.04459	0.5
161.02429	1.5
161.04614	1.5
163.04018	2.1
165.05533	0.8
166.05141	0.6
178.99863	0.8
179.03505	2.0
191.05627	4.5
201.10388	1.5
203.03789	1.0
203.05670	2.7
207.10327	0.9
213.10301	0.9
223.13487	0.6
229.09810	1.9
229.13464	0.8
233.06648	2.8
239.11996	1.0
244.06119	0.6
255.11452	1.0
277.03400	0.8
283.10886	1.3
285.05466	0.7
293.02908	1.2
299.01843	0.7
301.11954	2.0
302.12289	0.7
303.13745	0.7
319.12961	10.2
320.13382	1.4
323.13654	0.9
333.07468	0.7
335.09763	1.3
353.10858	1.0
361.07101	0.9
375.10519	0.6
379.08270	0.7
390.14606	0.9
397.09314	0.6
404.16354	1.5
441.14651	1.4
457.15079	1.0
509.93768	0.6
527.23096	1.2
529.26904	0.9
545.25714	3.3
546.26019	0.6
567.18927	0.7
569.23822	5.6
570.23962	1.1
573.25439	2.0
585.20386	0.7
608.13293	1.0
613.23273	6.0
614.23553	2.2
645.25238	3.3
646.25806	0.8
661.23425	0.6
673.25244	1.8
705.23938	2.0
705.37482	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	705.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03443	2.9
58.00584	1.8
59.01379	100.0
68.02538	2.5
68.19930	0.8
69.03451	2.4
71.00225	1.6
71.01383	37.2
72.99305	2.6
73.02948	40.9
73.73689	0.8
75.00871	1.6
80.44687	0.8
81.03433	0.9
83.01385	12.8
85.02949	10.1
87.00855	3.0
89.02450	14.5
95.01385	1.5
96.42244	0.9
96.96032	1.0
97.02930	1.7
99.00883	1.3
99.04508	2.7
101.02445	52.3
112.98806	1.2
113.01694	1.4
113.02455	25.3
119.03523	7.5
119.04987	1.0
121.02894	1.0
125.02435	3.8
131.03543	5.7
135.04489	2.9
137.02428	1.1
143.03514	6.6
149.00874	1.8
149.04558	5.8
152.01118	1.7
155.03555	1.9
161.04576	14.7
161.05907	1.1
163.04028	0.9
177.05536	0.9
179.05653	1.5
203.05640	2.4
221.06592	2.7
234.62590	1.0
245.09358	0.8
252.01837	0.9
519.24609	1.1
542.94122	1.0
687.28314	1.7
704.08191	1.1
705.19934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37506	0.5
54.47357	0.5
57.03435	0.7
59.01379	13.8
61.98828	5.8
69.03454	0.5
69.74451	2.4
70.52260	0.5
71.01385	21.7
72.01780	0.5
72.99296	1.5
73.02941	3.6
79.84344	0.5
83.01406	1.8
85.02941	2.7
87.00877	14.3
87.04514	1.8
89.02449	21.9
93.03450	0.7
95.01401	0.7
96.96008	8.7
97.02924	0.6
98.20639	1.0
99.00887	8.4
99.04514	0.7
101.02448	3.4
108.02234	0.6
108.04520	0.6
109.02979	1.1
111.00884	0.9
112.98824	4.6
113.02463	2.8
115.04094	0.6
116.92877	0.9
117.05616	0.6
119.03516	1.1
119.05038	2.4
121.02958	0.9
122.06129	2.4
123.04491	0.5
124.04072	0.8
125.02447	1.3
131.03519	1.0
133.05074	100.0
134.03740	1.0
134.05309	2.7
135.04527	5.1
136.04047	0.8
137.02477	0.9
143.03482	1.0
145.02936	1.2
147.04459	0.6
149.00978	3.3
149.02490	0.6
149.04576	7.1
150.05630	2.1
151.00359	2.4
151.03976	0.6
151.07664	1.0
152.01146	0.9
153.01941	0.6
159.04459	0.5
161.02429	1.5
161.04614	1.5
163.04018	2.1
165.05533	0.8
166.05141	0.6
178.99863	0.8
179.03505	2.0
191.05627	4.5
201.10388	1.5
203.03789	1.0
203.05670	2.7
207.10327	0.9
213.10301	0.9
223.13487	0.6
229.09810	1.9
229.13464	0.8
233.06648	2.8
239.11996	1.0
244.06119	0.6
255.11452	1.0
277.03400	0.8
283.10886	1.3
285.05466	0.7
293.02908	1.2
299.01843	0.7
301.11954	2.0
302.12289	0.7
303.13745	0.7
319.12961	10.2
320.13382	1.4
323.13654	0.9
333.07468	0.7
335.09763	1.3
353.10858	1.0
361.07101	0.9
375.10519	0.6
379.08270	0.7
390.14606	0.9
397.09314	0.6
404.16354	1.5
441.14651	1.4
457.15079	1.0
509.93768	0.6
527.23096	1.2
529.26904	0.9
545.25714	3.3
546.26019	0.6
567.18927	0.7
569.23822	5.6
570.23962	1.1
573.25439	2.0
585.20386	0.7
608.13293	1.0
613.23273	6.0
614.23553	2.2
645.25238	3.3
646.25806	0.8
661.23425	0.6
673.25244	1.8
705.23938	2.0
705.37482	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	705.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09568	0.5
53.24108	0.4
59.01384	7.1
61.98573	0.5
61.98834	5.7
69.03442	0.8
71.01383	4.2
72.99311	0.7
73.02940	1.7
83.01343	0.6
83.04995	0.8
85.02954	1.9
86.90564	0.5
87.00883	4.5
89.02445	2.3
93.03442	0.6
96.96015	1.9
99.00889	2.0
101.02422	1.9
103.00397	0.5
106.54971	0.4
107.04997	0.5
107.13279	0.5
111.04533	0.5
112.98825	3.5
113.02432	1.3
116.92844	1.0
119.05016	1.6
121.02944	0.7
123.04523	0.7
123.08113	0.9
133.02954	3.5
134.03728	0.7
135.04523	4.4
137.02399	0.8
140.63696	0.4
145.02959	1.1
149.00909	1.4
149.06091	0.7
150.03232	0.9
151.00331	0.7
157.02861	0.5
158.87352	0.5
161.02441	0.9
163.04010	1.5
167.03519	0.4
171.10246	0.9
179.03432	1.9
185.00815	0.8
191.03346	0.5
191.05592	0.5
197.11774	1.2
199.03990	0.6
201.11293	0.5
207.10182	0.8
209.06042	0.9
209.11835	1.4
222.03172	0.6
223.13199	0.5
225.05539	1.1
225.11482	0.7
237.05568	1.2
243.02945	0.8
249.05475	0.7
253.05009	1.5
255.02847	0.7
265.04941	0.6
271.02316	3.2
279.02890	0.7
281.04535	16.5
282.04907	1.6
293.04572	26.5
294.04941	2.4
299.01956	5.9
300.02625	2.7
301.03424	1.1
321.07797	0.7
328.05954	1.3
336.10022	35.6
337.10281	3.5
343.82867	0.5
351.12354	100.0
352.12686	12.5
381.09653	1.1
463.09052	0.6
547.27716	0.7
560.59979	0.5
608.13788	2.8
617.35364	1.5
624.97748	0.5
661.35236	1.1
673.21539	1.0
673.32410	0.6
687.33087	0.8
705.22107	0.5
705.35260	2.9
706.34668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
60.01696	0.1
61.76758	0.1
61.98832	100.0
63.70307	0.1
86.87768	0.1
108.55122	0.1
130.81213	0.1
159.84064	0.1
229.77367	0.1
263.55783	0.1
277.21732	0.2
483.15503	0.3
484.15204	0.6
498.17130	0.2
542.16553	0.1
543.17108	0.2
557.18787	0.6
558.19104	1.3
559.19501	0.2
575.15948	0.3
589.17737	0.1
643.22418	0.2
644.22974	0.7
703.25348	0.2
704.24182	2.6
705.22833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03437	1.5
59.01097	1.5
59.01378	25.6
61.98803	2.6
64.70303	1.0
65.99841	1.6
68.99801	1.1
71.01384	11.0
72.99314	1.9
73.02944	8.4
74.34300	0.8
79.99032	0.9
82.02982	26.1
83.01370	2.6
85.02946	5.0
87.00883	2.1
89.02431	4.7
92.05069	0.9
95.01378	1.5
96.04573	2.7
96.96004	2.6
98.94727	0.9
99.00836	1.4
99.04527	1.2
101.02447	13.6
103.00366	1.0
108.02176	36.9
109.02317	1.3
109.02964	12.7
113.02474	6.4
119.03494	1.4
120.04596	1.0
121.02960	1.2
122.03709	3.7
122.06123	2.3
123.00839	1.6
131.03514	1.2
134.03703	1.1
135.04515	2.6
136.03999	2.3
138.05620	87.8
139.05988	2.7
143.03506	1.8
145.02946	1.2
148.03990	1.9
149.00865	2.1
149.04567	2.7
150.05615	2.8
151.04028	1.1
152.01160	70.2
153.01762	4.3
161.04608	4.7
163.03972	3.3
174.05615	1.0
179.03566	1.1
188.07126	1.5
190.02634	1.2
190.08710	4.9
191.08292	2.0
202.08687	2.7
204.06610	4.1
205.05003	1.6
217.06165	4.3
218.06946	7.6
218.11836	1.0
229.06073	2.1
230.03912	1.3
233.09309	19.4
234.09683	1.2
241.07101	3.7
244.09784	6.4
245.09276	13.0
261.12366	4.2
267.56482	0.9
271.08261	1.1
287.10376	29.7
288.10773	2.0
305.11386	9.3
399.09149	9.1
417.10352	41.4
418.10590	4.0
457.16953	3.1
543.97583	1.2
661.22168	1.3
705.21429	100.0
706.21863	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
71.09837	41.7
85.02007	29.6
88.00119	26.4
109.93240	28.2
124.27573	28.8
151.16579	29.3
154.88672	24.6
171.10248	55.6
223.44226	28.1
249.28239	28.1
354.12741	26.0
360.01306	27.5
563.14929	34.2
597.50653	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	703.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.09783	75.9
71.27721	35.4
71.61573	52.8
78.95903	64.7
92.26895	38.7
94.52165	46.5
111.17962	41.5
112.70302	42.2
148.78154	44.8
170.88600	39.5
171.10310	56.4
206.14200	40.0
220.61121	41.8
277.21710	91.3
468.62686	45.7
516.33643	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87288	2.0
55.35880	1.9
59.01381	100.0
60.17173	2.3
61.98823	8.3
62.26493	2.1
66.75714	1.7
70.10931	8.5
78.95901	3.2
103.76021	1.9
112.48651	1.8
125.02539	1.9
171.10339	3.1
185.32396	1.9
209.04350	2.0
255.23303	4.0
295.22766	3.1
438.13086	3.3
452.14703	2.9
481.15195	53.3
482.15674	10.6
495.16864	11.0
496.16992	2.7
497.18179	5.1
523.04895	2.4
540.15887	9.9
541.15900	3.1
554.18304	2.7
555.10101	4.5
555.18896	94.8
556.19177	24.3
567.18622	4.6
568.19086	2.3
569.21118	2.6
572.15308	23.3
573.15973	4.8
586.17206	5.2
601.19397	2.1
627.21045	2.2
641.22375	41.6
642.22992	11.5
701.24646	81.8
702.25085	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	701.4481
Annotation	Kulomo'opunalide-2
Peak:m/z	Relative Intensity
55.01877	0.5
55.53663	0.6
59.01385	3.7
61.98830	2.2
71.01376	4.5
71.30515	1.1
73.02969	1.1
78.95889	1.4
83.01358	0.6
85.02970	1.3
87.00854	0.9
89.02448	2.2
101.02419	3.0
111.23351	0.6
113.02471	1.5
119.03438	1.1
154.21249	0.6
158.10732	0.6
161.04619	1.4
165.12831	5.4
179.05649	0.7
183.13895	52.6
184.14253	3.4
195.13837	0.8
209.11891	3.2
215.95079	0.7
227.12857	3.1
235.08272	2.5
253.09276	4.9
255.23288	100.0
256.23621	7.5
295.22702	2.9
445.20401	0.9
463.21933	1.2
701.44794	71.1
702.45117	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23099	0.4
57.96502	0.5
59.01381	100.0
61.94851	0.4
61.98854	0.6
86.37876	0.5
98.19828	0.9
115.84429	0.4
139.38388	0.4
149.11411	0.5
153.82796	0.4
173.45215	0.4
227.95554	0.4
271.55920	0.5
423.11194	0.6
437.12643	0.8
438.13272	3.7
439.13654	1.1
452.14868	2.2
453.15417	1.0
467.13974	0.8
470.12207	0.6
480.14499	1.3
481.15204	30.5
482.15527	7.9
494.16165	0.7
495.16827	13.2
496.17249	2.7
497.18411	6.6
498.18430	1.2
513.14038	0.5
514.14886	2.7
523.16260	1.2
525.14215	0.7
539.15668	2.0
540.16388	7.0
541.16693	2.3
553.17700	0.8
554.18091	2.9
555.18860	55.5
556.19092	13.8
567.18512	0.6
568.18774	0.5
572.15527	14.7
573.15656	4.1
586.16986	6.5
587.17328	1.8
609.20135	1.1
627.21069	1.4
641.22534	24.7
642.22949	6.8
701.24658	61.5
702.24921	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	699.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.7
59.01091	6.3
59.01377	100.0
61.98835	41.0
71.01374	21.4
71.61429	4.5
72.99301	7.6
73.02938	9.0
75.00861	3.5
75.49473	3.4
79.95748	11.5
83.05030	10.8
85.02946	14.9
87.00871	15.8
89.02444	13.4
94.98089	8.9
96.96006	38.1
97.06615	4.8
99.00893	11.1
101.02459	21.6
103.00394	5.0
109.06612	4.4
110.28045	3.8
112.98814	21.0
113.02438	14.8
116.92842	8.0
119.05005	7.6
125.02418	5.3
125.09707	7.0
133.02953	6.9
134.03647	6.6
134.06110	17.2
135.04562	27.4
137.02438	5.4
147.04472	5.6
149.00897	20.9
150.03212	6.3
155.10753	4.9
161.02367	6.5
163.03999	7.4
165.05557	7.9
171.10269	63.3
177.01938	3.7
177.09149	4.4
179.03491	24.9
193.05061	5.0
205.08693	5.9
209.11748	10.1
211.13330	9.4
215.14371	4.3
219.10239	10.5
233.15408	17.7
235.08205	8.2
237.06599	8.9
249.14983	25.3
253.09105	7.8
283.02402	4.6
371.15216	5.3
384.13376	6.7
385.23712	16.6
398.14883	4.0
403.25089	26.9
404.25095	4.1
421.25955	12.1
523.29456	7.4
567.22217	11.7
568.21765	5.1
577.24182	25.8
611.34064	4.8
614.78540	16.3
615.28754	8.4
621.32727	65.1
622.33325	19.3
639.33966	74.6
640.33984	15.9
699.29236	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	699.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
58.00598	2.8
59.01382	79.6
61.46221	0.9
61.98834	5.4
63.67000	1.2
69.03449	2.2
69.45055	8.2
71.01386	50.6
72.99306	3.7
73.02950	27.6
79.95742	6.0
81.03455	1.0
83.01393	2.8
85.02967	5.5
87.00864	2.5
89.02448	77.6
94.94901	1.0
95.01387	1.0
96.96001	4.9
97.02953	3.3
99.00886	91.7
100.01230	1.3
101.02459	12.1
112.98802	2.1
113.02443	15.2
119.03484	2.0
119.04980	1.2
121.02908	1.4
125.02428	8.5
131.03516	21.2
133.02901	1.1
134.03734	2.1
134.47543	1.1
135.04526	3.2
137.02353	1.3
143.03490	8.0
149.04559	100.0
150.03178	5.7
150.04889	2.9
155.03479	4.8
161.04550	4.3
165.05545	3.6
171.10239	1.7
179.03456	3.0
179.64841	0.9
191.05605	44.6
192.06009	2.2
193.08669	1.2
203.05630	25.9
205.08693	2.9
219.10208	5.9
233.06650	35.6
245.75192	1.1
275.07770	2.4
319.22800	11.4
333.24185	2.0
335.09851	19.8
336.10123	1.5
353.10858	9.9
361.23724	2.2
371.14993	6.6
371.52875	1.1
451.10748	2.5
567.21973	2.0
575.20978	2.1
614.78662	1.6
655.17743	5.0
699.15894	1.5
699.38965	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	699.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45366	1.2
59.01377	6.1
60.99300	0.9
61.98825	4.0
65.00314	1.3
67.03013	3.7
71.01392	1.8
73.02955	1.1
77.76653	1.0
80.23811	1.0
83.01405	1.5
86.94658	1.0
86.97894	1.0
87.00885	3.2
88.98820	5.3
93.03465	1.6
103.00405	1.1
108.02177	2.3
109.02939	2.9
111.02014	8.0
112.98781	2.4
121.02987	2.8
123.04525	2.2
133.02919	1.5
134.03740	1.4
135.04489	4.2
137.02405	2.5
149.00911	2.9
151.00391	9.0
151.03949	1.5
153.01906	3.9
161.06094	1.1
163.00320	3.1
163.04048	1.1
175.03969	1.1
178.99879	3.9
179.03409	2.0
193.04973	1.7
194.08208	4.5
195.08397	1.1
211.74043	1.0
227.03432	2.4
243.02974	7.5
254.02272	1.4
255.02946	18.1
255.05531	1.5
255.06703	1.1
256.03241	1.5
265.07132	3.1
270.09012	1.8
271.02472	43.2
272.03003	4.0
298.11807	1.7
300.02753	88.3
301.03351	26.0
301.10739	3.4
309.11230	1.3
537.15558	1.2
609.14581	100.0
610.14789	15.7
618.02423	1.2
685.67365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.98830	1.3
69.31506	0.7
69.31834	5.5
71.01389	1.5
72.99323	1.9
74.98654	0.5
76.37866	0.5
79.97902	0.5
81.03505	0.6
83.01421	0.8
84.75587	0.6
85.02962	2.4
87.00882	1.3
89.02446	0.6
93.03458	40.9
94.03763	1.0
95.01430	1.2
101.02460	0.7
108.02173	50.4
109.02982	11.7
119.05021	0.8
121.02971	1.3
123.04455	0.8
133.02982	1.1
135.04523	1.9
136.01720	0.5
137.02446	40.9
138.02831	0.7
149.00974	1.1
149.02406	2.1
151.04002	1.6
152.01152	100.0
153.01860	5.5
155.30840	0.6
161.02454	1.5
163.04001	3.2
166.02707	1.2
177.01961	0.8
179.03534	1.8
181.05048	1.0
193.04991	0.8
215.33377	0.6
241.07094	0.9
262.22150	0.6
267.05042	1.1
285.06125	0.8
313.03305	0.8
399.09283	18.0
400.09241	1.3
417.10306	12.6
441.10797	0.7
477.87506	0.5
537.12439	47.8
538.12738	6.4
579.13080	2.7
580.14532	0.7
699.17737	57.8
700.18152	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	699.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.8
58.00597	3.4
59.01382	91.7
61.98845	6.5
65.34660	1.9
69.46976	16.2
71.01370	4.9
72.99316	7.4
73.02958	2.4
80.18944	2.1
86.30544	2.1
87.00880	51.9
88.84870	2.0
89.02444	2.3
89.28881	1.9
93.03470	7.0
96.96045	2.4
101.02457	3.6
103.00377	70.5
108.02188	9.9
109.02995	6.0
110.06149	2.9
111.00909	2.2
112.98789	3.3
115.00378	2.7
119.05035	3.9
119.67542	2.2
120.01356	2.5
121.02961	75.1
122.06138	5.0
123.04503	3.7
124.45164	2.1
125.02422	3.2
130.99869	67.9
133.01453	5.5
134.03755	3.9
135.04517	10.6
137.02512	10.5
141.90909	2.2
145.02921	4.4
149.00952	7.3
152.01170	23.0
161.02505	4.7
166.02725	4.2
169.59901	2.3
179.03511	7.3
181.05095	5.9
193.05040	4.4
201.01949	2.2
253.03552	100.0
254.03777	3.5
285.12711	4.6
303.13702	2.6
347.12460	4.6
357.38342	2.7
399.09464	2.5
417.10223	5.6
537.12628	9.0
567.26746	2.7
579.14160	3.6
649.41400	2.3
699.17511	11.3
700.16632	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	698.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.3
61.98833	100.0
71.09925	1.3
78.95935	1.1
83.34565	0.6
85.58664	0.6
88.96712	0.5
97.86485	0.6
166.51106	0.6
378.23984	0.6
538.82111	0.7
726.11084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.1
58.79942	0.9
59.01381	13.4
61.98829	4.0
68.99813	3.9
69.50101	5.9
71.01378	3.5
72.99312	13.4
73.02955	1.7
75.00871	1.4
83.01398	1.5
84.99314	7.7
85.02979	1.2
87.00884	12.2
88.40712	0.8
88.98814	1.1
89.02458	2.0
93.03465	1.5
95.01395	0.9
96.96021	0.8
99.00904	1.3
101.02422	2.1
103.00352	1.6
103.60152	0.8
108.02148	2.1
109.02943	2.8
111.00896	1.8
112.98814	100.0
113.02465	1.4
113.99146	2.3
117.03461	2.1
119.03490	0.8
119.05035	5.2
121.02957	4.7
122.03722	2.8
123.04527	3.6
125.02451	19.4
127.00364	6.5
130.99863	2.1
132.02193	4.3
133.02946	3.1
134.03748	53.3
135.04597	6.9
136.01669	1.8
137.02441	7.4
139.03990	1.0
139.07661	0.8
145.02959	2.7
147.04573	4.1
148.01694	0.9
148.05310	1.5
149.00954	4.5
149.02373	5.0
149.06085	20.0
150.03227	17.5
151.03922	3.7
152.01105	2.1
153.01984	1.1
153.05544	1.4
153.84741	0.8
154.99918	1.8
158.03737	2.0
159.04514	1.6
160.00430	0.6
160.01640	16.4
160.02853	1.4
161.02429	9.8
161.06035	1.0
162.03212	12.8
163.04019	5.0
164.04764	1.1
165.01814	0.9
165.05562	15.0
167.03506	5.3
168.03851	1.1
173.06041	2.5
174.03186	1.6
175.03987	20.9
176.01140	1.1
176.04741	6.4
177.01837	2.3
177.05542	5.3
178.02711	12.9
179.03429	3.1
180.04233	1.4
186.03239	1.3
190.02713	9.1
191.03453	1.8
191.07130	6.0
193.05054	43.8
194.05376	2.7
195.06622	9.5
201.05519	1.3
202.02756	4.4
203.03470	2.5
205.05051	9.9
206.05797	0.9
207.06714	0.9
217.05080	2.9
218.02165	3.3
219.03053	1.0
219.06622	3.4
230.02214	5.1
233.04538	49.8
234.04819	3.8
235.06082	6.1
239.07185	0.9
245.04489	7.9
250.01166	1.3
263.05588	1.9
267.06860	1.0
277.03540	2.8
287.09174	4.5
287.15158	1.1
289.03448	6.7
307.04581	90.6
308.05020	8.2
312.10138	1.0
315.10931	1.2
341.10349	4.8
365.10242	1.6
373.25537	1.0
383.11279	1.6
389.12509	2.9
449.14496	1.5
485.10944	6.8
527.14130	1.3
565.22406	2.0
653.17444	1.2
653.37402	1.2
697.25580	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01582	0.4
59.01380	100.0
60.01720	0.9
61.98841	1.1
66.43382	0.4
71.52077	0.9
71.98560	0.4
78.95907	12.4
90.16497	0.5
96.42966	0.4
115.56431	0.5
149.00050	0.6
205.15965	0.6
212.57143	0.5
240.59395	0.5
247.33344	0.5
279.23154	0.7
391.96234	0.5
408.49387	0.5
476.53030	0.5
583.18689	0.5
695.31152	45.5
696.31537	10.0
715.20587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01723	0.7
61.98839	2.8
71.01379	0.9
71.61303	0.3
78.95906	0.3
81.59077	0.3
85.02977	0.5
87.00886	0.6
89.02463	0.3
101.02409	0.3
112.98864	0.4
116.92886	1.5
121.02967	2.5
135.04524	0.8
169.03705	0.3
171.10323	1.8
177.09126	0.3
179.03473	0.6
191.03584	1.1
209.04678	1.6
246.65717	0.3
267.36411	0.4
283.48682	0.4
289.18210	0.7
593.13556	1.6
637.43298	0.5
697.38525	0.6
722.28564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
57.32368	0.7
59.01380	100.0
60.01685	1.0
61.98817	3.7
68.22495	0.7
68.72034	0.7
71.01385	20.8
72.99332	1.7
73.02951	25.0
73.05595	0.7
75.00882	0.8
77.47133	0.8
83.01390	7.9
85.02949	3.0
87.00877	2.6
89.02445	9.1
95.01424	1.4
95.70630	0.7
97.02960	1.0
101.01764	1.5
101.02445	30.0
108.02100	0.9
109.02930	0.9
112.98808	1.6
113.02445	11.1
119.03471	3.7
119.05003	1.6
123.04435	1.0
125.02456	1.9
131.03513	2.5
133.03024	0.8
134.03729	1.0
135.04530	3.8
136.01662	0.9
137.02428	1.1
143.03488	2.9
149.00896	4.4
149.04579	6.1
150.03201	1.0
151.04010	1.5
152.01129	1.1
155.03482	1.1
161.02478	0.9
161.04568	9.9
163.04008	2.2
167.03494	1.8
168.38371	0.7
175.04028	1.3
178.02676	0.8
178.85915	0.7
179.03523	2.5
179.05612	1.3
193.05051	0.8
203.05585	2.0
205.08717	1.0
221.06660	2.5
250.99883	0.8
261.13376	1.0
299.02017	1.0
303.14395	0.9
353.13910	1.0
359.14737	1.6
387.35181	0.8
533.20764	1.4
603.61871	1.1
651.14948	1.1
687.43262	0.9
695.26288	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94575	0.6
58.27548	0.5
59.01380	10.6
61.98829	8.0
69.30235	5.2
71.01389	3.4
73.02966	0.9
75.00919	0.5
82.60989	0.5
83.98470	0.5
85.02955	1.6
87.00892	1.3
89.02473	1.0
96.96011	1.0
101.02450	1.8
109.02953	1.2
109.06636	0.6
111.00809	0.6
112.98811	2.8
113.02444	1.6
121.02970	2.5
122.03752	1.0
123.00895	1.6
123.04539	1.5
124.01661	4.6
125.02461	1.1
134.95105	0.6
135.04514	4.3
136.01663	3.5
137.02466	3.5
138.03244	3.3
139.04025	3.5
145.03046	0.6
146.03772	1.5
149.00989	1.2
149.02460	2.5
149.06004	0.6
150.03226	51.2
151.03668	2.8
161.02423	1.4
161.06024	0.8
161.09758	0.7
162.03172	1.2
163.03993	3.1
164.04785	9.0
165.05573	41.0
166.05901	2.1
172.05376	0.8
175.04050	1.6
176.04742	2.0
177.09270	2.8
179.03531	1.6
179.07178	3.0
187.07643	1.7
189.05611	2.6
190.06299	1.7
191.07106	2.5
191.10800	2.9
192.07814	1.2
193.05072	0.8
193.08699	11.9
201.09227	0.8
203.07127	2.4
204.07912	5.4
205.08687	35.5
206.09215	2.6
211.68483	0.6
217.08673	1.6
218.09505	1.0
219.10262	70.1
220.10547	4.9
231.10258	2.8
241.04900	0.6
269.04468	1.5
270.05377	1.0
287.05545	3.2
293.03091	0.6
297.07660	0.6
302.07877	4.1
338.11484	1.0
339.12354	1.3
353.14032	1.0
356.12833	1.4
370.14429	0.7
371.14981	100.0
372.15289	10.7
401.25226	0.8
533.20264	95.2
534.20612	17.2
536.50586	0.6
635.40900	1.4
695.25415	11.3
696.25391	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85542	0.4
56.23241	0.4
59.01380	7.3
61.98818	2.2
63.61787	0.4
68.90601	0.4
69.51930	1.5
69.52348	1.5
71.01383	1.8
71.16087	0.4
73.02955	1.1
77.82654	0.5
85.02959	1.3
86.77332	0.4
87.00881	0.6
89.02422	0.7
95.01396	0.6
96.95991	0.5
98.20717	0.5
99.00885	0.6
101.02456	0.6
103.00286	0.4
109.02953	0.5
112.59182	0.4
112.98820	1.6
113.02448	0.6
121.02962	2.3
122.03740	1.5
122.24597	0.4
123.00878	1.4
123.04509	1.4
124.01656	3.0
125.02424	1.0
134.03745	0.5
135.04521	2.1
136.01692	2.5
136.05249	0.7
137.02422	2.4
138.03267	2.6
139.03999	2.3
149.00835	0.7
149.02435	2.3
150.03224	48.5
151.03677	2.4
159.08199	0.8
161.02448	1.2
161.06104	0.5
161.09732	0.8
162.03185	0.6
163.04010	2.8
164.04796	9.7
165.05568	40.1
166.05911	2.3
167.03508	1.3
172.05299	0.7
175.03929	0.8
175.07544	0.5
175.11255	0.6
176.04796	1.5
177.09163	3.5
179.03503	0.9
179.07127	1.2
187.07617	1.5
189.05588	3.5
190.06265	1.7
191.07120	1.7
191.10706	2.3
192.07933	0.8
193.08678	12.1
194.09068	1.0
197.42799	0.6
201.09192	1.1
203.07130	2.7
204.07899	4.0
205.08688	35.1
206.09138	3.1
217.08678	1.6
218.09471	1.3
219.10251	72.1
220.10587	4.7
222.98320	0.4
231.10239	2.6
238.97618	0.4
269.04422	1.2
270.05252	0.9
284.06897	0.7
287.05615	3.5
301.07431	0.7
302.07996	4.2
338.11508	1.3
339.12210	0.8
353.13925	1.3
356.12753	1.6
369.13736	0.6
371.14981	100.0
372.15317	11.2
372.19980	0.7
480.49866	0.5
533.20264	99.5
534.20587	15.1
619.90833	0.6
635.41870	1.2
635.85107	0.5
695.25555	3.8
695.36713	0.8
696.26544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57506	1.4
59.01383	12.1
61.72383	1.5
61.98824	2.2
65.42437	1.4
69.42986	10.6
71.01392	7.0
72.99288	2.0
75.00874	2.2
83.01367	2.5
85.02953	3.3
87.00877	6.4
89.02455	5.1
90.25085	1.4
93.03413	1.5
96.96017	1.8
97.02946	3.0
101.02433	3.6
107.05010	3.9
108.02153	2.0
109.02946	22.4
111.00899	8.1
112.98814	3.3
113.02486	2.4
119.05042	4.5
121.02976	3.3
122.34751	1.4
123.04492	2.0
131.05022	2.2
133.06575	4.0
134.03717	2.9
135.04526	42.5
136.04868	2.4
137.02470	1.9
137.06047	1.8
143.04962	2.9
145.02965	2.4
147.04520	4.6
149.00868	8.9
149.06078	24.0
151.03996	2.3
152.01112	2.1
159.04523	7.6
161.02440	3.6
161.06050	13.3
162.03218	4.6
163.03961	5.7
164.04692	2.2
165.01982	2.0
165.05496	7.9
171.04518	4.6
174.03154	3.0
174.34813	1.5
175.03999	5.1
176.04738	1.9
177.05563	100.0
178.05963	5.8
179.03491	15.4
179.07159	1.8
181.05035	2.0
188.04823	1.9
189.05569	83.1
190.05888	5.1
191.03467	2.9
193.05020	1.8
201.05473	2.3
203.03471	5.6
207.06610	17.9
219.03046	2.9
219.06665	1.8
221.04549	51.2
222.04950	3.1
231.06618	4.9
237.04010	2.0
239.05652	3.9
249.07649	7.0
251.05597	1.9
267.08771	11.8
293.03064	1.5
297.09845	2.0
311.07727	95.9
312.08090	5.9
328.55328	1.7
335.12335	3.5
341.08511	2.4
351.10876	9.5
369.09525	2.4
383.09937	1.8
395.09766	5.2
407.97891	1.7
410.30121	1.6
413.10947	6.8
443.12280	1.9
473.13007	99.4
474.13293	14.2
489.23389	3.0
515.14111	2.4
563.23547	2.2
634.66345	1.6
695.18268	10.6
696.19617	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	695.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57506	1.4
59.01383	12.1
61.72383	1.5
61.98824	2.2
65.42437	1.4
69.42986	10.6
71.01392	7.0
72.99288	2.0
75.00874	2.2
83.01367	2.5
85.02953	3.3
87.00877	6.4
89.02455	5.1
90.25085	1.4
93.03413	1.5
96.96017	1.8
97.02946	3.0
101.02433	3.6
107.05010	3.9
108.02153	2.0
109.02946	22.4
111.00899	8.1
112.98814	3.3
113.02486	2.4
119.05042	4.5
121.02976	3.3
122.34751	1.4
123.04492	2.0
131.05022	2.2
133.06575	4.0
134.03717	2.9
135.04526	42.5
136.04868	2.4
137.02470	1.9
137.06047	1.8
143.04962	2.9
145.02965	2.4
147.04520	4.6
149.00868	8.9
149.06078	24.0
151.03996	2.3
152.01112	2.1
159.04523	7.6
161.02440	3.6
161.06050	13.3
162.03218	4.6
163.03961	5.7
164.04692	2.2
165.01982	2.0
165.05496	7.9
171.04518	4.6
174.03154	3.0
174.34813	1.5
175.03999	5.1
176.04738	1.9
177.05563	100.0
178.05963	5.8
179.03491	15.4
179.07159	1.8
181.05035	2.0
188.04823	1.9
189.05569	83.1
190.05888	5.1
191.03467	2.9
193.05020	1.8
201.05473	2.3
203.03471	5.6
207.06610	17.9
219.03046	2.9
219.06665	1.8
221.04549	51.2
222.04950	3.1
231.06618	4.9
237.04010	2.0
239.05652	3.9
249.07649	7.0
251.05597	1.9
267.08771	11.8
293.03064	1.5
297.09845	2.0
311.07727	95.9
312.08090	5.9
328.55328	1.7
335.12335	3.5
341.08511	2.4
351.10876	9.5
369.09525	2.4
383.09937	1.8
395.09766	5.2
407.97891	1.7
410.30121	1.6
413.10947	6.8
443.12280	1.9
473.13007	99.4
474.13293	14.2
489.23389	3.0
515.14111	2.4
563.23547	2.2
634.66345	1.6
695.18268	10.6
696.19617	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	695.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52248	1.0
55.01881	3.1
55.43528	1.0
57.03450	41.0
57.36583	1.2
58.03777	1.2
59.01382	21.6
60.01208	0.9
69.03470	2.2
69.84674	6.5
71.01384	28.3
72.99300	3.1
73.02952	13.7
75.00874	1.0
83.01399	5.4
85.02952	8.5
87.00876	16.1
88.98809	3.3
89.02460	6.7
95.01392	2.1
97.02946	15.2
97.03491	1.8
99.00879	29.1
99.04536	7.4
101.02444	34.8
103.00378	1.6
107.01422	1.3
111.00966	1.4
112.98824	1.1
113.02450	15.6
115.00348	1.7
117.88028	1.1
119.05035	1.4
121.02968	1.3
123.04467	1.3
124.01644	2.4
125.02447	70.3
126.02792	2.4
130.99861	3.2
131.03514	3.6
135.04530	5.7
143.03499	2.7
149.00905	16.4
151.03999	1.2
157.50240	1.0
160.05177	1.0
161.02420	2.5
161.04543	16.1
163.04083	2.1
175.02481	5.5
175.03964	1.7
179.03479	6.1
189.05560	1.7
191.05656	3.8
203.05592	2.5
210.07742	2.9
287.07770	1.2
293.08710	1.9
293.92175	1.1
313.10831	1.3
339.08746	3.7
341.08786	2.3
357.09671	2.4
372.13171	1.2
383.07550	2.3
401.10828	1.9
419.11926	100.0
420.12256	10.8
461.13013	51.6
462.13498	5.3
501.16290	9.8
502.16455	2.0
508.86417	1.2
563.16144	88.2
564.16431	15.1
663.64294	1.2
695.16101	5.1
696.18555	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	695.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07963	0.6
57.03466	0.7
59.01378	10.9
59.09444	0.7
61.98822	2.8
70.93508	1.3
71.01375	4.0
72.99301	1.2
73.02901	1.0
87.00858	3.4
89.02454	2.2
93.03415	0.7
101.02464	1.3
107.04999	0.9
108.02203	1.1
109.02995	0.8
112.98813	3.0
113.02455	1.6
119.05009	2.4
120.05297	0.7
121.02959	0.9
123.04528	1.7
134.03761	2.3
135.04514	2.4
137.02438	1.9
145.02939	1.8
149.00951	1.7
151.00388	1.6
152.01115	0.7
159.04517	0.7
161.02448	1.2
163.04016	2.7
167.03442	4.1
171.10356	0.7
178.02771	0.8
179.03450	2.3
193.05008	1.9
214.02809	0.9
219.03024	0.7
226.02655	1.2
227.03494	1.0
242.02274	1.3
243.02911	4.7
245.00885	0.6
254.02283	1.2
255.02989	16.6
256.03412	1.0
269.13956	0.9
270.01645	1.7
271.02469	34.8
272.02966	3.0
299.01935	9.4
300.02750	100.0
301.03143	8.3
314.04358	1.9
315.05106	74.5
316.05441	6.5
401.13843	0.8
423.51599	0.7
453.51688	0.7
501.10333	5.4
519.11249	5.5
591.13586	2.0
609.14606	2.1
647.90918	0.7
651.15625	66.0
652.15936	11.9
658.01776	0.7
671.68610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.2
61.98832	2.6
69.33328	2.1
69.33755	2.7
70.09625	0.6
71.01385	1.7
72.99303	0.9
73.02953	1.4
77.00689	0.5
83.01389	0.9
85.02929	0.8
87.00883	2.2
89.02454	1.3
93.03478	0.7
96.96022	1.4
99.00899	0.9
101.02456	1.0
107.01397	1.5
108.02215	0.7
109.02962	1.9
112.98816	1.5
113.02467	1.3
116.92864	0.7
117.03452	1.0
119.05035	1.7
121.02955	0.9
123.04505	1.3
130.32899	0.5
133.02950	1.6
134.03784	0.8
135.04533	2.6
136.01640	2.1
137.02403	0.7
143.05002	0.6
145.02956	2.9
147.04500	0.7
149.00908	3.5
149.02162	0.7
149.06087	0.7
150.03221	0.5
151.00342	2.5
151.04004	2.3
152.04372	0.7
161.02390	0.9
161.06059	0.5
163.04028	2.0
165.05652	0.7
167.03488	5.4
171.04515	1.0
172.77591	0.5
175.03984	1.3
179.03458	1.0
187.03995	1.1
193.05110	1.0
199.04012	4.1
201.01904	1.0
203.03429	0.5
215.03526	2.2
226.02728	2.1
227.03499	3.3
243.03027	6.9
244.03299	0.9
254.02225	1.0
255.02850	2.7
271.02469	64.7
272.02893	5.9
287.09204	0.8
299.01962	93.6
300.02646	30.5
301.03369	5.8
314.04456	1.3
315.05109	16.9
316.05460	1.4
327.08771	0.7
357.13562	0.9
358.13773	1.3
359.14532	0.9
504.09000	1.2
519.11334	2.7
533.20325	0.8
609.14270	1.0
636.13318	4.4
637.14001	0.8
651.15656	100.0
652.15851	16.2
652.25916	0.9
695.27319	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
58.03074	1.1
59.01380	100.0
61.98826	21.4
71.61398	1.9
72.21420	1.2
76.29942	1.5
78.95901	24.2
83.05033	2.4
91.12708	1.1
94.89208	1.3
96.96943	2.1
99.92597	3.1
107.05044	2.2
109.06634	1.5
110.81081	1.1
115.92075	5.7
116.92855	6.7
135.08099	1.4
152.99577	7.2
179.89247	5.8
180.89967	3.9
196.89487	7.1
241.16086	1.3
277.21658	3.5
281.19214	2.8
287.41891	1.2
292.18259	2.1
307.20676	1.4
324.94284	1.6
325.21741	23.2
326.22177	1.6
343.22733	24.4
344.23007	2.6
357.84613	1.4
391.26343	1.8
497.14029	2.1
593.27350	3.2
688.61487	1.4
693.20123	7.4
693.30914	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98988	1.0
57.03449	3.6
57.10789	1.0
59.01379	100.0
59.30860	1.0
60.01703	1.8
61.98831	17.0
69.03431	1.2
70.85222	1.8
70.85545	1.6
71.01382	1.6
78.95905	11.6
79.05579	1.0
83.05021	2.5
87.00897	1.2
96.96990	2.5
101.02396	1.2
107.05049	3.3
109.06586	2.3
123.08174	2.1
135.08228	1.6
150.06889	3.1
152.99576	4.2
155.08719	1.4
180.89847	1.4
196.89395	1.3
231.13928	3.0
241.16031	3.6
281.19168	5.1
292.18152	2.5
295.22885	1.4
307.20651	4.1
325.21692	37.3
326.22217	5.5
341.21011	1.6
342.22162	6.0
343.22736	36.2
344.23129	4.2
365.24661	1.4
503.04871	1.1
593.27417	1.4
693.20190	1.5
698.47009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03446	1.0
58.00587	0.8
59.01380	16.7
60.01702	0.2
61.98834	0.5
63.65968	0.2
65.46032	0.2
66.83735	0.2
69.03450	0.7
69.31052	1.6
69.31466	0.5
71.01382	11.9
72.01675	0.2
72.22849	0.3
72.99316	0.9
73.02947	1.7
75.00871	0.3
81.03445	0.5
83.01375	1.1
83.05012	0.4
85.02942	2.4
87.00877	2.4
87.04461	0.2
89.02444	11.1
93.03409	0.2
95.01376	0.9
97.02931	1.6
97.06543	0.3
99.00877	0.7
101.02448	8.9
111.04514	0.3
113.01693	0.3
113.02450	4.3
113.09722	1.7
119.03497	2.8
120.12550	0.2
121.02929	0.3
125.02455	2.8
131.03499	0.6
133.05013	0.2
135.04591	0.3
137.02441	0.2
139.04002	0.3
143.03476	1.4
149.01031	0.2
149.04521	0.4
150.52550	0.2
161.04573	1.8
169.04858	0.2
171.10249	0.3
177.12794	0.3
179.05653	2.6
179.07106	0.3
179.14410	0.7
181.12300	0.3
185.04523	0.5
195.13892	13.0
196.14206	0.7
208.73856	0.3
211.13457	0.2
221.06636	0.7
222.39606	0.2
235.08195	3.2
253.09253	0.9
263.07791	0.4
277.21710	11.6
278.22009	1.1
287.07776	0.6
295.22766	100.0
296.23102	10.2
296.26547	0.3
305.08783	0.7
319.22540	0.3
323.09735	0.5
397.13480	19.2
398.13898	2.0
415.14548	19.6
416.14816	2.1
422.84607	0.2
463.84912	0.2
633.39972	0.3
651.40393	0.4
693.40570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00285	0.3
55.01892	0.5
57.03445	1.1
58.00587	0.6
59.01382	20.7
61.98829	2.1
69.03457	0.9
69.46445	2.1
70.39304	0.3
71.00986	0.7
71.01384	13.5
72.01722	0.4
72.99313	1.2
73.02967	2.3
74.92217	0.3
75.00879	0.6
76.67571	0.3
78.95911	0.4
81.03432	0.8
83.01389	1.2
85.02956	3.0
87.00871	3.0
88.98812	1.2
89.02450	11.8
95.01387	1.0
97.02950	1.8
97.06607	0.7
99.00881	1.1
101.02448	10.7
103.98502	0.3
109.02978	0.5
109.06644	0.4
111.00873	0.4
112.98814	0.7
113.02456	6.0
113.09735	1.4
119.03507	3.2
125.02449	3.5
131.03491	0.8
133.02881	0.4
135.04538	0.5
139.04005	0.5
143.03554	1.7
149.04536	0.7
161.04579	2.2
163.07588	0.6
171.10254	4.1
172.10542	0.4
177.12888	0.4
179.05644	2.4
179.14441	0.7
181.12411	0.3
185.04596	0.4
187.81326	0.3
195.13902	12.3
196.14282	0.7
209.50555	0.3
211.13409	1.2
221.06708	1.2
235.08226	3.5
236.08762	0.3
253.09262	1.1
263.07779	0.6
277.21732	13.7
278.22122	1.3
287.07755	0.7
293.21246	0.6
295.22787	100.0
296.23114	8.4
305.08807	0.9
307.43030	0.3
379.12793	0.4
397.13516	22.8
398.13763	1.8
415.14575	21.4
416.15002	1.8
633.39832	1.0
651.41290	0.4
693.39191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
58.00584	1.0
59.01381	47.8
61.98566	0.6
61.98835	6.4
71.01385	18.4
72.99305	2.4
73.02946	12.5
75.00877	0.7
83.01371	3.0
83.05020	0.6
85.02950	4.6
87.00384	1.1
87.00881	14.4
89.02443	7.1
93.03405	0.5
95.01389	1.0
95.72800	0.6
96.96001	0.6
97.02966	0.6
97.52718	0.5
98.19807	0.8
99.00866	2.1
101.02443	11.4
103.00374	3.2
108.02187	0.8
109.02952	0.8
112.98825	6.0
113.02450	7.1
115.92090	1.0
116.92845	1.8
119.03487	2.0
119.05009	2.3
121.02941	1.0
123.04554	1.1
123.08086	0.6
125.02501	1.3
129.09247	0.6
130.99846	1.8
131.03488	0.6
133.02917	0.8
133.05006	0.6
134.03712	1.1
135.04517	4.7
136.15744	0.6
137.02437	1.9
143.03450	0.9
145.02939	1.3
149.00908	3.1
150.02960	0.5
151.04037	0.6
152.01088	0.7
161.02441	0.9
161.04585	1.0
163.03996	1.7
165.05534	1.8
167.03470	1.7
179.03516	3.6
183.13857	1.7
189.05414	0.5
203.03352	0.6
209.08002	0.6
219.03050	1.2
237.18541	1.8
277.21887	1.5
293.02979	0.7
295.22757	14.7
296.23203	0.9
313.23849	2.2
357.26120	1.2
367.11697	0.7
369.12549	0.9
383.11533	0.7
399.23813	0.8
457.28024	1.9
475.29120	11.5
476.29297	0.9
517.30164	100.0
518.30481	15.1
607.29260	0.7
633.40253	2.8
649.30652	1.8
651.40576	1.6
675.35559	0.5
693.39587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01384	57.1
60.01702	0.5
61.98842	3.4
71.01379	6.9
72.99314	0.9
73.02950	3.3
83.01378	1.3
85.02960	4.6
87.00890	2.0
87.04525	0.4
88.98838	0.6
89.02456	2.6
93.03511	0.7
95.01397	0.5
97.02972	0.7
98.19912	1.3
99.00900	1.7
99.04508	0.4
99.92572	0.6
101.02457	3.9
103.00351	0.7
109.02965	0.5
109.06514	0.5
112.98832	4.7
113.02464	4.1
115.92085	0.6
116.92878	1.6
117.92836	0.7
119.03510	0.7
119.05029	0.9
121.02966	100.0
122.03297	3.7
123.08214	0.5
124.75409	0.5
125.02459	1.2
133.02940	0.6
134.03763	1.0
135.04536	3.4
137.02440	0.9
137.09747	0.5
139.24295	0.4
143.03448	0.9
147.04510	0.7
149.00909	1.1
149.04628	1.0
161.02452	1.0
161.04575	1.6
163.04045	1.7
163.07671	0.6
166.80234	0.5
178.02684	0.6
179.03514	1.4
197.11879	1.5
201.11221	0.7
209.11890	0.6
223.17160	0.8
263.88287	0.5
267.16263	0.6
274.44531	0.6
293.03171	0.9
308.01721	0.5
399.16452	1.1
399.23935	1.7
417.69827	0.6
435.27637	1.4
453.28625	2.3
495.29922	0.7
633.40253	2.6
649.35272	0.5
651.40778	1.4
693.41016	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.4
61.98830	2.4
69.03456	0.4
69.23828	0.4
70.73196	0.8
70.73553	0.5
71.01382	4.8
72.99306	1.3
73.02946	1.9
77.35775	0.3
83.01398	1.2
83.05052	0.6
85.02975	1.9
87.00881	1.6
89.02443	1.4
89.91678	0.3
93.03478	0.7
95.01368	0.5
96.96002	0.9
97.02953	0.5
99.00880	0.8
99.04515	0.4
101.02437	2.1
108.02179	0.5
109.02970	0.9
112.98803	3.3
113.02457	2.0
115.92072	1.3
116.92869	5.0
117.92900	0.6
119.05013	0.8
121.02957	100.0
122.03296	3.1
125.02435	0.6
131.03505	0.4
135.04536	3.8
137.02425	0.6
147.04572	0.7
149.00946	0.7
149.04546	0.5
161.02444	0.4
161.04575	0.6
163.04004	1.7
163.07663	0.5
163.41374	0.4
163.90862	0.4
165.04057	0.3
165.05476	0.5
167.03423	0.4
171.10280	0.5
179.03458	1.9
193.05119	0.7
203.05627	0.7
215.05487	0.6
219.03009	0.6
267.16119	0.5
283.33725	0.4
293.03015	1.0
333.20615	0.7
399.16580	0.4
399.23975	1.6
485.23920	0.9
517.29974	0.4
633.39960	2.9
638.16882	0.5
649.30042	0.5
651.41388	0.8
693.27338	0.8
693.41241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.9
58.00599	4.9
59.01381	100.0
61.98831	5.2
64.93230	1.3
71.01385	8.2
71.62505	3.2
72.99304	10.6
73.02948	4.3
85.02953	4.2
87.00878	42.0
89.02441	3.0
96.33611	1.3
97.06624	2.0
99.00896	1.9
101.02454	4.5
103.00375	61.3
104.00710	1.7
105.03490	3.2
108.02198	2.0
109.02958	2.3
109.06604	1.4
112.98816	11.4
113.02478	3.9
119.05034	7.0
119.49294	1.3
121.02950	1.5
122.02492	1.8
123.04496	1.9
125.02474	1.6
130.99867	41.6
133.02934	10.3
134.03743	16.7
135.04530	19.5
137.02444	6.5
145.02985	2.3
149.00891	6.2
153.01839	1.6
161.02386	4.9
162.03294	7.3
163.04018	3.9
167.03474	3.7
175.04036	2.1
177.01924	7.8
178.02719	16.8
179.03477	10.6
193.05026	3.2
219.02960	2.5
223.13329	2.7
231.10223	15.2
245.35083	1.4
247.47478	1.6
267.12509	1.7
275.09244	71.5
276.09631	5.9
285.01111	1.7
285.04086	4.0
293.02985	2.1
318.64722	1.5
399.13043	1.8
405.20084	1.5
407.09830	24.3
408.10013	3.4
449.72238	1.4
465.01346	1.5
531.15631	1.6
548.03503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94653	0.5
57.03423	0.5
59.01377	19.6
60.98992	0.8
60.99308	15.4
61.98824	2.1
65.26752	0.5
71.01382	5.2
71.62276	0.8
72.99283	0.5
73.02956	1.1
78.95902	0.6
83.01395	0.8
85.02934	1.9
87.00898	1.2
88.06709	0.5
88.47677	0.5
88.98806	100.0
89.02439	2.1
89.99159	0.8
95.01432	0.7
96.40339	0.5
101.02450	3.7
103.00434	0.8
105.26169	0.4
112.98805	1.2
113.02452	2.5
114.98105	0.5
121.02952	3.4
123.68803	0.5
134.03761	1.0
135.04538	1.2
139.03970	0.6
140.76027	0.5
149.00906	0.6
149.04497	0.5
150.03261	1.7
161.04547	0.6
165.05615	1.0
171.10286	1.5
177.09207	1.4
189.09244	1.2
195.13927	0.8
203.10796	4.9
211.13367	1.7
262.36078	0.5
277.21744	0.9
295.22748	6.1
340.13239	0.7
355.15442	11.3
356.15820	1.9
397.13556	2.1
415.14563	1.1
559.21698	3.9
560.22534	0.8
633.40247	1.7
651.40851	0.7
693.42175	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	691.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28210	1.4
61.98824	5.9
69.98544	3.3
69.98958	4.8
78.95905	66.4
90.18272	1.5
96.96961	4.2
98.19965	1.6
111.08167	3.7
126.82601	1.5
152.99590	100.0
153.99884	1.6
154.87024	1.5
164.58192	1.6
165.12860	32.3
166.13274	1.8
169.56279	1.5
171.00621	11.8
183.13896	93.5
184.14194	4.6
199.13426	1.8
209.11827	5.0
227.03314	3.8
227.12871	27.9
264.28961	1.6
288.76297	1.4
314.88660	1.7
345.10950	1.5
363.12201	7.3
437.15717	28.1
455.16855	82.7
456.17188	9.4
691.38202	90.7
692.38580	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03439	0.5
57.17133	0.2
58.00586	0.9
59.01381	18.1
69.03454	1.3
70.93108	0.4
70.93436	0.3
71.01380	13.4
71.05013	0.3
72.99297	0.6
73.02952	2.3
73.22462	0.3
75.00852	0.3
81.03461	0.3
83.01372	1.3
83.05043	0.2
85.02943	2.8
86.88208	0.3
87.00871	2.9
89.02444	11.5
95.01383	1.1
97.02957	2.1
99.00851	0.7
101.02444	9.4
111.04532	0.6
111.08175	0.5
113.02452	4.6
119.03497	3.1
125.02445	3.4
131.03508	0.6
135.04504	0.3
143.03511	1.9
161.04524	2.4
177.13000	0.3
179.05594	2.6
179.14413	0.7
195.13902	7.7
196.14514	1.0
205.12283	0.7
211.13347	0.5
221.06677	0.9
223.13399	4.7
224.13699	0.5
225.14960	0.4
225.62971	0.2
228.13628	0.7
235.08199	3.0
253.09216	0.9
256.13104	0.9
263.07733	0.4
263.12399	0.3
265.21790	0.5
275.20111	4.3
287.07764	0.6
293.21219	100.0
294.21542	10.9
305.08829	0.8
323.09766	0.6
397.13501	21.2
398.13834	2.2
415.14563	25.5
416.14877	2.1
527.43170	0.3
654.27740	0.6
691.35712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19721	0.2
52.71626	0.3
55.01870	0.7
57.03442	0.9
58.00589	0.9
59.01380	22.2
60.41568	0.3
61.98850	0.4
68.99831	0.3
69.03445	1.1
70.06522	1.2
71.01384	14.7
71.38940	0.3
72.99300	1.2
73.02951	2.7
81.03474	0.3
83.01396	1.7
85.02950	2.7
87.00877	3.4
89.02445	13.6
93.03506	0.3
95.01382	0.8
95.05009	0.3
97.02960	2.1
99.00872	0.9
99.04515	0.4
99.98927	0.3
101.02444	9.6
102.02756	0.4
109.02920	0.4
111.08156	0.7
112.98830	0.3
113.02455	5.3
119.03506	3.6
121.02922	0.8
124.01636	0.5
125.02455	4.0
131.03471	0.7
134.03722	0.8
135.04517	0.8
137.02443	0.9
143.03516	2.4
149.04448	0.5
150.03192	1.9
151.03940	0.3
161.04572	2.4
161.26649	0.3
163.05231	0.3
165.05583	1.2
167.10785	0.4
177.09244	1.5
179.05629	3.2
179.07042	0.5
179.14424	0.8
180.05521	0.3
183.13959	0.3
183.24037	0.3
185.04585	0.3
187.07645	0.4
189.09207	2.3
195.13908	6.9
196.14590	0.8
196.66614	0.3
203.10806	4.5
205.12321	0.9
205.15945	0.3
207.10211	0.3
209.71558	0.3
211.13353	0.8
221.06667	1.2
223.13376	5.8
224.13962	0.5
225.14955	0.3
228.13583	0.7
231.21242	0.3
235.08260	3.4
253.09267	1.2
256.13129	1.0
263.07663	0.5
265.21817	0.4
275.20132	4.1
276.20584	0.6
286.08414	0.4
287.07974	0.3
292.19897	0.7
293.21225	100.0
294.21533	9.3
305.08655	0.6
323.09677	0.4
339.12296	0.4
340.13019	0.7
354.32983	0.3
355.15469	7.8
356.15945	1.3
397.13480	20.5
398.13910	2.1
415.14563	24.1
416.14752	2.2
499.20020	0.3
517.20532	1.0
559.21106	0.5
631.23633	1.4
632.24487	0.3
649.24994	4.2
650.25568	1.0
691.26172	1.8
691.36407	0.5
692.25757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12451	0.6
54.46499	0.7
59.01377	18.2
60.68655	0.8
60.99307	17.2
61.98826	6.4
71.01401	1.2
71.61575	0.8
78.95908	8.0
87.00845	0.7
87.11766	0.7
88.00414	0.9
88.98808	100.0
89.02445	6.2
89.08580	0.7
96.96944	0.7
105.81593	0.7
116.92863	7.6
117.01957	0.8
119.17487	0.7
122.49001	0.7
133.61891	0.8
152.99591	4.5
156.21439	0.7
199.96375	0.7
209.11745	3.5
211.13402	0.8
277.21701	2.1
293.21204	1.1
295.22803	1.3
308.32056	0.8
341.10944	0.9
352.00903	0.8
355.13245	0.8
358.19397	0.7
375.28586	0.7
482.15399	1.8
495.16760	1.0
496.16867	3.9
497.17050	1.5
531.70331	1.0
537.16547	0.9
551.19543	1.1
552.19647	13.3
553.19543	3.1
562.70734	0.8
587.17249	1.0
596.18903	1.8
628.21191	45.8
629.21112	15.5
659.35382	2.1
691.39178	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03448	1.6
58.00591	2.3
58.82022	0.8
59.01380	49.3
61.98833	4.3
69.03448	3.0
70.76796	1.5
71.01384	34.5
71.05016	2.1
72.99304	4.2
73.02953	7.1
75.00866	1.5
81.03463	1.3
83.01389	3.9
83.05035	0.7
85.02957	8.3
87.00887	8.4
89.02448	26.6
93.03407	1.0
95.01376	2.8
97.02964	3.8
99.00869	2.7
99.04514	0.9
101.02446	24.6
109.02940	1.4
112.98795	2.3
113.02444	12.0
115.04041	0.9
119.03497	8.5
119.04942	0.9
121.02940	1.6
125.02452	8.8
131.03522	1.6
133.03008	0.8
134.03770	1.0
135.04524	3.6
137.02458	1.2
139.04010	1.3
143.03474	4.1
143.05048	1.1
149.00925	0.9
149.04536	1.1
149.12062	0.8
153.39101	0.6
161.04533	6.9
163.04024	1.5
165.05519	1.0
171.04512	0.8
171.10272	1.3
179.03531	1.5
179.05669	4.4
183.13855	1.2
189.09256	1.7
199.03995	4.5
200.04712	4.4
201.05223	0.8
203.10817	1.6
209.11671	1.0
209.15477	1.6
211.13460	1.2
215.07117	2.3
217.06985	0.8
221.06700	2.3
231.21164	2.0
235.08252	8.9
235.17030	37.9
236.17380	3.3
243.06618	7.6
244.06905	1.5
253.09245	2.2
257.25787	0.8
263.07755	1.1
275.20142	43.5
276.20459	3.3
287.07709	3.1
293.21228	100.0
294.21545	8.2
299.58585	0.8
305.08694	2.8
323.09958	1.3
355.15530	2.5
397.13504	61.4
398.13840	5.8
410.33997	0.7
415.14572	38.7
416.15112	3.0
584.79572	2.0
585.29761	0.9
585.79382	0.7
606.29028	1.1
631.38446	1.5
649.25146	1.6
649.39685	1.1
673.34015	0.8
682.73456	0.7
691.25494	0.9
691.40204	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69013	0.5
57.03455	0.6
58.00607	1.5
59.01385	29.0
61.98843	1.1
66.91722	0.5
69.03482	0.9
70.74886	0.6
70.75222	1.2
71.01388	16.0
72.99307	1.3
73.02954	3.2
77.91769	0.6
85.02972	2.7
87.00900	2.1
89.02457	14.5
95.01411	1.3
97.02964	3.3
99.00916	1.7
101.02456	6.5
108.02205	1.2
109.02952	3.0
109.65855	0.5
112.98806	0.7
113.02447	4.0
119.03516	1.7
121.02980	4.1
121.10240	3.9
123.00906	1.0
123.04506	0.9
124.01668	4.1
125.02460	3.7
127.11306	0.6
130.50867	0.5
133.02974	0.6
134.03758	10.8
135.04521	3.9
136.01631	0.9
137.02454	3.2
138.03281	1.7
139.04062	2.5
143.03545	1.0
147.04541	2.1
147.08205	1.1
148.01701	0.6
148.05327	5.0
149.02470	4.4
150.03230	25.5
151.04024	3.9
152.04839	1.0
159.04581	1.1
160.05400	0.9
161.04561	1.8
161.06001	1.1
162.03262	1.7
163.04007	4.6
164.04765	1.5
165.05588	16.9
166.05949	0.7
171.08023	0.6
171.10272	11.2
172.10559	0.9
175.07610	3.0
177.05592	1.7
177.09219	23.0
178.09569	1.2
179.05637	1.2
183.13840	0.6
187.07652	4.5
188.08467	2.8
189.09219	31.0
190.09566	1.3
201.05719	0.5
201.09229	1.9
203.10788	61.1
204.11127	3.8
215.10825	2.2
217.12341	1.0
221.06685	0.6
235.08234	2.1
239.69919	0.6
253.05093	0.7
253.09097	0.5
270.05219	0.8
271.06168	3.4
275.20178	12.7
276.20517	0.7
285.07700	0.7
286.08472	4.8
287.08371	0.7
293.21249	21.0
294.21597	1.8
295.06061	0.7
297.07672	1.9
298.08252	0.6
305.08719	0.8
311.09259	2.0
322.12357	0.8
323.12997	1.9
325.10822	1.4
337.14551	0.8
338.11652	1.4
339.12302	2.8
340.13168	6.5
353.14014	1.9
354.14563	1.0
355.15524	100.0
356.15854	12.1
365.13977	0.7
397.13464	20.2
397.18335	1.0
398.13870	1.5
415.14557	10.1
415.19748	0.9
416.14844	1.1
421.16492	0.7
425.26208	0.6
451.60956	0.6
481.18530	3.2
499.19855	5.6
500.19888	1.1
517.20483	0.9
541.20715	0.9
559.21857	30.5
560.22424	4.6
631.23846	3.4
632.36554	0.6
649.25214	4.9
650.26398	0.9
691.26099	79.1
692.14313	0.9
692.26471	17.1
715.47583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03437	1.3
58.00592	1.0
58.05039	0.4
59.01380	32.0
61.98823	1.8
66.84832	0.5
69.03465	1.6
71.01382	20.5
72.99309	1.6
73.02944	3.3
75.00876	0.6
78.95914	0.6
81.03456	1.1
83.01385	2.1
85.02953	4.4
87.00870	3.7
89.01906	1.0
89.02444	15.2
93.03452	0.5
95.01387	1.0
95.05031	0.8
97.02953	3.4
99.00863	1.4
101.01772	0.6
101.02447	12.6
109.02948	1.4
111.04540	0.6
111.08158	0.8
112.98811	1.7
113.02452	7.2
117.32752	0.5
119.03491	3.9
121.02942	2.7
123.00874	1.1
123.04564	0.5
123.08376	0.5
124.01657	2.3
125.02446	3.5
127.04041	0.6
131.03519	0.6
133.02950	0.8
133.21991	0.6
134.03732	5.1
135.04562	2.3
137.02463	1.6
138.03279	0.6
139.04048	1.2
141.01910	0.7
143.03506	2.0
147.04495	1.4
147.08119	0.8
148.05305	1.7
149.02408	2.0
150.03236	10.5
151.03947	1.7
157.92825	0.5
161.04594	2.9
162.03134	0.8
163.04013	1.7
164.04726	0.8
165.05574	7.8
166.05870	0.6
170.00992	0.5
173.06044	0.7
175.07579	1.6
177.05544	1.2
177.09195	9.2
179.03436	1.0
179.05638	3.9
179.14342	0.9
183.10226	1.0
187.07664	1.9
188.08383	1.4
189.09212	16.5
189.23157	0.5
190.09650	1.1
195.13905	9.1
196.14423	0.9
201.09248	1.5
203.10777	27.9
204.11133	2.4
204.19095	0.5
205.12462	0.7
207.10255	0.7
211.13432	1.5
215.10640	1.5
217.12321	0.5
221.06810	1.0
223.13425	5.1
227.12964	0.5
235.08208	3.6
253.09360	1.3
263.07568	0.6
270.05188	0.9
271.06067	1.7
275.20111	3.8
276.20337	0.7
277.09387	0.7
283.06216	0.7
286.08423	2.6
287.07932	0.7
291.19632	3.7
292.19894	2.9
293.21225	100.0
294.21533	8.8
297.07913	1.0
305.08917	0.8
311.09195	2.1
323.09488	0.6
323.12860	0.9
338.11346	1.0
339.12350	1.9
340.13293	3.1
353.13855	1.4
354.14670	1.2
355.15503	53.4
356.15851	6.0
395.04016	0.5
397.08221	1.1
397.13422	21.7
398.13831	3.2
398.18613	0.5
399.14111	1.2
409.16525	1.3
415.14563	25.8
416.15039	2.4
434.71399	0.5
499.19775	5.8
517.20630	5.4
518.21027	0.6
559.21967	3.5
631.23926	10.9
632.24451	2.0
649.25018	31.4
650.25085	5.4
691.25983	12.7
691.38354	1.8
692.25879	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	690.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.6
60.99302	2.2
61.98836	14.5
65.63245	0.6
71.01358	1.0
71.61377	1.0
78.95916	3.4
79.76675	0.8
87.00871	1.7
88.00403	2.1
88.98813	16.2
89.02440	1.0
96.96972	0.7
116.92870	1.7
121.02903	0.9
132.57578	0.7
132.95547	0.8
152.99602	1.0
155.15498	0.7
209.11868	2.0
214.88374	0.8
284.71954	0.8
295.22736	0.8
299.04636	0.8
357.83456	0.8
452.14783	2.2
481.15195	5.5
482.15613	1.5
495.16824	9.2
496.17401	3.4
498.71332	0.8
508.17407	1.1
535.16229	1.7
536.17047	3.3
540.16571	2.0
551.19421	28.5
552.19635	7.8
554.18945	2.2
555.18817	1.1
572.15228	3.0
586.17078	2.7
595.18298	3.7
596.18323	1.0
617.02997	0.8
627.20990	100.0
628.21259	32.8
630.21118	6.6
659.34741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72081	1.4
55.01871	2.4
57.03461	1.9
59.01380	100.0
61.98840	1.9
69.03454	4.0
69.43134	12.7
71.01389	25.1
72.99311	6.1
73.02943	8.4
77.24511	1.6
81.03471	2.7
83.01375	4.7
85.02953	21.6
87.00873	7.1
89.02469	12.2
95.01381	3.9
96.96016	27.8
97.02961	4.8
99.00889	7.7
99.04535	2.7
101.02444	14.0
108.02173	2.2
109.02946	5.2
111.00900	2.9
111.04485	1.8
112.98814	3.2
113.02452	33.3
119.03470	1.5
119.04990	3.2
120.01202	1.8
122.00278	1.9
123.08170	6.8
125.02425	7.0
131.03450	1.7
135.04558	7.9
137.02402	4.6
139.03955	1.7
143.03497	5.1
149.00937	2.2
149.04555	4.2
151.00374	2.3
152.01178	1.8
161.04550	4.0
163.04012	3.9
163.11255	5.8
164.04778	2.5
167.03516	5.0
175.03882	1.9
179.03560	3.2
179.05576	2.0
189.12833	5.3
203.05624	3.2
205.05067	3.0
207.13884	7.1
221.08339	2.1
223.06139	2.6
265.07236	3.1
325.09183	1.8
328.64838	2.0
395.89975	1.7
501.23386	71.4
502.23593	9.3
519.23938	8.3
522.80511	1.9
529.19086	4.9
543.24487	37.3
544.24847	4.9
561.25586	35.7
562.25635	4.7
691.25391	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.9
57.03435	5.2
57.58466	1.0
59.01380	100.0
60.01706	1.4
61.98829	2.9
65.01514	1.1
69.03455	4.4
71.01379	29.6
72.99306	5.5
73.02946	9.8
83.01375	4.4
83.05045	1.8
85.02441	1.4
85.02949	24.5
87.00880	10.5
89.02444	15.0
93.03452	3.2
95.01376	4.9
96.96005	8.2
97.02965	7.9
99.00874	10.0
101.02436	12.8
108.02216	1.5
109.02948	4.2
111.00864	4.2
112.01643	1.6
112.98801	2.6
113.02451	38.1
119.03484	2.6
119.05006	1.3
123.04493	2.1
123.08135	7.8
125.02433	7.5
127.03977	1.4
130.84282	1.2
131.03450	3.0
135.04507	7.3
137.02429	4.3
137.09651	2.6
139.04015	2.0
143.03490	5.5
149.00897	2.4
149.02386	1.7
149.04521	8.4
151.04080	1.6
153.01848	1.4
155.03453	1.7
161.02458	1.6
161.04567	4.1
163.03943	3.3
163.11259	8.5
167.03479	4.0
173.04506	2.2
179.03435	4.7
181.24428	1.3
189.12807	5.1
191.05583	1.9
193.05043	1.4
203.05548	2.7
205.05064	2.3
207.13907	9.0
221.08253	1.6
223.06067	3.1
225.14940	1.4
265.07211	2.9
271.02563	1.3
275.07718	1.4
300.02594	1.5
325.09366	1.9
335.09811	1.7
429.21405	2.9
471.22141	1.6
501.23407	69.5
502.23721	10.0
519.24225	3.9
529.19250	4.0
543.24469	36.8
544.24567	3.9
561.25525	42.7
562.25885	5.0
609.13367	1.6
624.68909	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50979	1.0
51.07991	0.9
56.49182	0.9
57.03437	2.9
59.01380	11.4
59.30840	1.2
61.98822	4.3
71.01382	13.9
71.09611	1.3
71.09943	0.9
72.99314	3.2
75.00874	9.5
83.05048	1.6
85.02946	12.9
87.00870	5.3
89.02435	3.3
95.01384	3.0
98.24503	1.1
99.00853	7.6
101.02450	1.5
102.54842	1.0
103.00377	1.6
111.08163	1.4
112.98810	4.1
113.02461	11.0
121.03028	1.3
132.47958	1.3
133.02985	2.3
134.03738	1.8
149.00841	1.1
163.11182	1.1
165.12825	12.8
171.10245	4.4
175.02509	2.1
178.02650	1.7
183.13898	91.4
184.14218	4.4
189.37933	1.0
209.11819	10.9
211.13297	1.7
223.09743	3.2
227.12901	5.4
253.09314	1.8
345.16974	2.3
415.19794	1.5
459.18756	1.4
497.27893	1.0
511.29111	4.5
512.29498	1.7
518.00043	1.1
625.32129	5.8
669.31689	4.0
687.32330	100.0
688.32684	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	688.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07709	0.2
51.72289	0.2
59.01388	0.7
61.98835	100.0
67.08778	0.2
71.01395	0.3
78.95927	0.4
80.96468	0.2
91.81400	0.2
98.19836	0.5
123.35240	0.2
127.03658	0.2
130.20137	0.2
194.74045	0.2
209.11938	0.5
225.11363	0.2
315.20688	0.2
351.61414	0.2
383.79742	0.2
500.17197	0.2
688.32471	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03437	1.9
58.00595	1.2
59.01384	26.9
61.98833	7.1
63.63274	0.5
68.99783	0.5
69.03443	1.4
71.01389	19.7
72.52477	0.5
72.99305	2.1
73.02940	4.0
75.00878	1.0
81.03468	1.3
83.01384	1.7
83.05056	0.9
85.02958	5.3
87.00872	6.1
88.98826	0.9
89.02450	15.8
95.01385	1.9
95.05030	1.3
97.02950	2.5
99.00854	2.5
99.04481	0.6
101.02450	15.8
103.00379	0.9
107.04993	0.7
109.02924	0.6
109.06593	0.5
111.08158	8.7
112.98821	2.8
113.02467	8.0
113.09717	0.7
114.02803	0.8
119.03509	5.0
121.02967	1.0
121.06567	0.8
123.08240	0.6
125.02456	5.1
131.03549	0.7
133.02969	1.4
135.04544	5.9
136.04854	0.6
137.02419	1.2
137.09714	0.7
139.11336	0.6
141.01884	0.5
143.03557	2.5
149.00916	2.5
149.09712	0.7
161.04556	3.2
165.12843	1.0
167.10764	2.3
171.02931	0.5
177.12836	1.9
178.02730	1.0
179.03529	6.9
179.05605	3.4
179.10765	2.5
180.03876	0.9
183.13875	4.5
195.13892	5.9
199.04010	0.7
203.14415	0.6
207.10291	0.6
209.11790	2.4
221.06548	1.0
221.15405	0.9
225.11348	1.1
227.12943	2.7
235.08191	5.3
247.20589	3.0
253.09239	2.2
263.07565	0.7
265.14459	1.1
273.18683	1.0
287.07782	1.2
291.19662	100.0
292.19983	9.2
305.08899	1.1
323.09836	1.5
361.11496	0.6
375.16513	0.6
397.13513	41.4
398.13672	2.9
415.14587	25.3
416.14902	1.3
435.18680	1.1
504.38992	0.6
555.28876	0.6
613.29626	0.5
622.78046	0.6
623.28973	0.6
645.31287	2.6
689.33478	5.0
690.33044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25058	3.1
59.01377	27.6
61.98835	14.5
66.70943	2.9
71.01388	24.2
71.61376	3.9
73.42853	3.5
78.95892	4.8
85.02940	4.9
87.00886	9.6
89.02440	18.1
101.02418	18.8
113.02414	8.6
119.03496	7.1
125.02479	6.2
137.77151	3.5
161.04669	5.2
171.10287	4.8
173.76808	3.6
179.05698	3.8
227.20166	71.6
228.20464	3.7
235.08287	6.4
253.09096	4.4
264.24939	3.2
271.06183	3.9
279.22971	3.4
305.08939	5.5
397.13528	100.0
398.13739	7.8
415.14682	29.0
589.25305	3.5
612.63733	4.1
613.53021	3.8
625.34857	5.6
634.14716	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	686.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98967	0.3
59.01385	0.9
61.98835	100.0
71.21397	0.4
71.21729	0.4
94.78775	0.3
101.02483	0.5
102.40262	0.3
131.79596	0.3
135.04561	0.4
161.02548	0.6
171.10330	0.6
208.71996	0.5
209.11899	0.6
258.44168	0.4
397.13687	0.8
482.17181	0.4
533.66443	0.4
583.74353	0.4
594.85571	0.4
599.00067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98830	100.0
62.98542	0.2
69.65722	1.3
76.09408	0.2
78.33410	0.2
78.95905	0.5
98.20577	0.4
114.01430	0.2
196.89653	0.2
200.43446	0.2
214.04930	0.2
220.60591	0.2
255.23335	0.8
256.23721	0.6
279.23026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.4
61.98832	23.5
70.62876	3.1
70.63226	6.2
71.01385	14.0
73.02966	8.8
82.27073	2.4
84.08854	2.5
92.56107	2.6
101.02456	5.5
113.02438	3.2
121.02956	100.0
171.10258	4.1
209.11745	7.5
249.14963	11.6
266.98334	3.1
439.24899	42.2
440.25119	8.3
687.31573	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	687.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.3
61.98833	9.3
71.01377	2.1
71.09458	1.2
73.02949	2.1
76.78107	0.6
78.95892	0.9
83.01444	0.7
101.02434	1.3
101.72253	0.6
121.02959	100.0
122.03306	3.2
123.72297	0.6
124.26381	0.5
168.54855	0.7
171.10327	1.1
209.11824	1.5
211.13416	0.6
228.59398	0.6
317.21176	4.3
335.22336	1.3
439.24918	20.4
440.25256	3.2
451.14056	0.8
452.14911	1.1
481.15494	2.4
482.15945	1.0
495.16956	5.1
496.17130	1.0
507.17120	0.9
525.92877	0.6
533.18054	0.8
535.16254	0.7
536.17395	1.0
540.16302	1.9
551.19421	15.7
552.19812	3.6
569.21490	0.8
572.15656	1.0
595.18402	3.2
596.18555	1.3
627.20990	35.1
628.21198	12.0
653.14490	0.7
687.23053	3.5
688.23267	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	685.344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27604	0.5
55.01875	1.1
55.56107	0.4
57.03447	1.5
59.01381	40.6
59.38570	0.4
60.01709	0.6
61.98522	0.6
61.98828	7.2
68.79427	0.5
69.03465	1.0
69.36140	0.5
69.72738	0.5
71.01385	21.2
71.61903	0.8
72.99310	3.2
73.02949	12.4
75.00861	0.5
75.65511	0.5
83.01378	4.7
85.02946	8.1
87.00872	4.6
88.98765	1.0
89.02448	7.4
93.03448	1.1
95.01377	1.7
96.95998	1.1
97.02969	0.7
99.00871	2.2
99.04561	0.7
101.02445	15.6
108.02169	1.2
109.02969	1.7
111.04543	0.9
112.98827	4.6
113.02454	8.7
113.06110	0.6
119.03530	2.4
119.05016	4.7
121.02953	1.0
123.04514	0.7
125.02448	1.3
131.03476	0.9
133.02922	1.4
134.03702	0.7
135.04536	4.6
136.05264	1.0
137.02441	1.9
143.03455	1.3
145.02948	0.9
146.03743	0.6
147.04478	1.3
148.05324	0.8
149.00920	5.0
149.04459	0.5
149.06079	1.7
150.03171	1.5
150.06853	1.1
150.36221	0.6
159.04532	0.8
161.02454	1.3
161.04562	1.8
161.06013	1.0
163.04007	2.0
163.07578	1.1
165.05591	0.7
165.09200	1.1
167.03435	0.7
175.03941	0.6
178.02687	1.4
179.03488	1.4
179.07263	0.6
179.10742	0.7
187.07658	0.7
193.05072	0.8
203.07277	0.6
203.14507	0.6
211.13385	1.5
218.72311	0.6
223.95433	0.6
238.06456	0.5
253.08664	8.6
254.09306	2.3
288.90369	0.5
301.21713	7.8
302.21851	0.7
342.07523	0.7
345.17056	0.9
391.26999	0.6
463.27063	3.7
479.33560	0.5
481.27994	10.5
481.34869	0.6
482.28198	1.5
522.32214	1.4
523.29102	100.0
524.29376	15.7
531.93536	0.6
547.29675	0.8
553.20764	7.8
554.21307	1.6
641.35162	0.7
685.38257	7.4
686.37555	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64474	0.4
51.81161	0.4
55.01887	1.0
57.03438	1.1
58.00593	1.6
59.01382	64.0
60.01724	1.0
61.98831	2.4
69.03484	0.8
69.80055	0.5
69.89210	0.5
71.01385	25.9
71.61879	0.7
72.99313	3.0
73.02952	8.4
82.28000	0.4
83.01402	3.3
85.02958	5.8
86.47733	0.5
87.00880	2.8
88.98807	0.7
89.02450	16.2
93.03439	0.9
95.01395	2.1
96.96065	0.8
97.02908	0.5
97.06559	0.5
99.00897	1.1
99.04509	0.6
101.02445	14.8
103.00414	0.6
109.02986	0.6
112.98833	1.5
113.02460	12.5
113.06089	0.6
116.92863	0.7
119.03517	6.0
119.05021	0.9
121.02966	0.7
122.06026	0.5
125.02435	1.0
131.03517	0.9
134.03755	0.8
135.04512	1.7
137.02486	0.9
138.41040	0.5
143.03540	1.2
147.04546	0.9
149.00928	3.3
149.04668	0.6
149.06091	1.0
150.03270	1.2
161.04546	1.7
161.05917	0.8
163.04044	1.5
171.10297	0.6
177.09233	0.7
178.02711	2.1
179.03519	0.9
179.05615	1.4
197.11836	1.4
203.03505	0.6
207.10207	0.9
209.11845	0.8
225.11403	0.7
253.08702	1.7
254.09430	2.2
301.21698	0.6
310.03235	0.6
318.20364	0.5
342.07614	0.7
345.16992	0.7
355.15497	1.3
428.02216	0.5
463.27078	2.9
481.28055	15.8
482.28372	2.0
523.29102	100.0
524.29443	17.1
553.20758	1.6
565.29742	0.8
578.23096	0.6
685.30432	1.8
685.38116	1.8
701.56061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41697	0.6
51.96796	0.6
57.03424	1.6
59.01386	10.7
61.98838	5.1
65.49011	0.7
68.79176	0.6
68.99801	1.2
69.46814	1.3
69.47209	4.9
71.01377	3.7
72.99316	2.7
73.02955	1.9
83.05021	1.1
84.99315	1.7
85.02958	1.1
87.00882	12.3
87.04523	3.8
89.02432	2.2
93.03479	0.7
95.01424	0.9
95.04983	0.8
97.02978	0.8
97.06544	1.1
101.02452	1.5
103.00359	1.4
108.02172	0.7
108.21761	0.7
109.02964	3.4
112.98814	18.8
113.02425	1.9
119.03510	1.1
119.05034	1.3
121.02955	1.2
123.04486	1.0
125.02457	1.0
127.00390	3.4
130.99886	1.8
133.02937	4.1
134.03778	3.6
135.04526	48.4
136.04866	3.1
137.02441	4.7
139.00368	2.3
140.07182	5.7
141.07524	1.2
145.02942	1.3
147.04524	1.6
149.00917	3.9
149.02380	0.8
149.06084	1.1
150.06822	1.0
152.01132	0.8
157.12352	0.7
159.04520	1.0
161.02443	9.0
162.02858	0.8
163.04012	6.8
168.00595	1.0
171.10129	0.8
175.03920	0.8
177.05571	1.9
177.31047	0.7
179.03496	35.2
179.10797	0.9
180.03876	2.1
185.11833	2.6
191.03522	4.6
196.09457	0.6
205.05055	1.4
212.57094	0.7
215.12860	2.4
219.02977	14.0
231.02943	2.8
239.05766	0.8
243.16045	1.6
275.01941	1.3
293.03033	28.3
294.03369	2.3
301.06924	0.7
301.11301	0.7
308.01837	0.7
319.12787	0.8
345.22806	2.1
360.24710	0.8
373.25891	11.2
374.26389	1.5
389.25601	1.1
390.25824	1.0
391.26999	100.0
392.27341	10.6
405.28546	1.1
433.28235	1.7
479.29279	0.8
505.26526	2.6
523.27576	45.1
524.27960	6.7
553.23926	1.1
553.33484	1.5
554.34290	0.8
565.83228	0.7
685.26843	2.4
685.38269	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	685.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01381	69.0
61.98834	5.8
71.01392	7.6
71.10587	1.9
72.99295	2.0
73.02961	2.5
80.05099	1.2
81.03461	1.2
83.01366	1.2
85.02951	3.9
87.00885	5.2
89.02448	4.5
93.03485	1.3
94.06627	1.4
96.96020	1.3
99.00877	2.5
101.02441	4.7
103.00397	1.6
105.05833	1.1
106.06621	8.7
107.03752	3.7
109.02913	1.2
112.98815	5.3
113.02441	4.3
116.92873	1.4
119.05058	3.0
120.08195	29.9
121.02963	3.7
121.08537	1.0
122.06124	48.1
123.04478	1.1
123.06449	2.1
130.06650	1.1
132.04507	2.4
133.02951	1.8
134.03775	3.5
134.06125	53.8
135.04549	5.4
135.06479	1.8
136.07669	1.9
137.02449	4.0
147.03214	1.4
147.04460	1.6
148.07622	1.3
149.00932	8.3
149.04675	1.4
149.06004	2.3
150.03235	1.6
151.07628	1.7
152.07166	4.4
153.01859	1.2
155.10748	1.1
157.08675	1.0
160.04073	2.7
160.07646	1.3
161.02454	1.6
161.04654	1.9
161.06055	3.0
162.05594	1.3
163.04001	4.0
165.05537	1.5
165.09203	1.2
172.07666	1.2
174.05629	2.7
175.07663	1.6
178.02724	5.9
179.03461	3.9
190.05095	2.5
194.08258	3.0
210.07988	1.2
221.10716	2.3
223.08806	3.8
223.12549	1.4
224.09497	2.1
225.10330	1.9
227.11925	1.1
235.08736	2.3
235.12436	1.5
236.09473	2.9
237.10304	4.6
238.11090	3.0
239.11874	4.6
248.09288	1.1
249.06656	1.5
249.10370	8.3
250.07251	1.0
250.11075	2.0
251.08359	2.5
251.11880	11.0
252.12323	1.4
253.08676	9.5
254.09570	6.9
261.10284	1.9
262.07486	1.2
263.08304	8.8
263.11880	3.8
264.09000	11.9
265.09778	6.3
265.13116	1.3
267.11331	1.4
271.10922	2.2
275.08069	1.3
276.08987	3.8
277.09760	13.1
278.10559	8.7
279.11377	33.0
280.11826	5.5
287.13733	1.6
289.14374	1.0
290.10471	2.2
291.11383	14.5
292.12027	4.5
293.09286	1.3
293.12936	1.6
295.04596	3.4
295.10873	2.2
305.09244	8.9
305.12875	4.5
307.10767	3.2
310.03329	3.4
322.09497	1.8
323.10458	5.4
324.10977	2.6
327.15985	1.9
337.11859	2.8
342.07495	3.8
342.16266	2.5
345.17093	3.1
354.12405	1.8
355.12958	1.7
356.13644	1.6
356.17645	2.0
360.17258	1.9
365.11337	2.7
368.14221	1.2
370.15585	5.0
371.16022	2.2
384.12567	2.0
384.17065	11.4
385.17865	4.7
386.18784	5.6
397.13870	2.7
398.14731	3.1
398.18787	4.4
399.19513	2.8
402.18140	2.7
411.15845	1.7
412.16583	2.6
414.18411	1.9
425.17355	1.3
426.18399	13.2
427.18665	3.4
428.15784	2.2
430.17554	4.2
430.98431	1.1
431.18103	1.3
442.17651	1.3
444.19534	7.7
452.15723	2.2
470.17068	2.6
471.18091	5.5
472.18652	2.1
481.27567	1.7
486.20200	14.1
487.21082	2.1
490.19727	4.1
502.19797	4.1
505.31946	2.4
507.24219	2.0
509.22162	2.0
530.19348	40.6
531.19965	23.3
531.27429	2.2
532.20319	3.1
549.25122	9.0
550.26190	1.3
553.20807	3.5
562.21942	57.2
563.22729	11.4
567.26025	3.0
575.23944	1.2
593.24017	14.1
609.27118	28.5
610.27319	6.1
625.26373	1.5
626.27161	1.2
641.35089	1.7
653.26178	100.0
654.26447	23.9
685.27679	21.9
685.38153	7.1
686.29681	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	683.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.7
59.01373	4.2
61.98834	17.2
69.03449	1.6
69.35749	9.0
71.01375	5.4
83.05026	1.7
85.02963	2.3
87.00899	2.4
89.02432	1.9
95.05020	2.8
97.06587	14.3
98.19891	1.9
100.80883	1.0
101.02442	3.1
117.57905	1.1
123.08167	7.4
125.09722	82.4
126.10046	3.1
143.10814	1.1
161.04590	1.9
169.08711	1.7
183.72188	1.0
187.09760	35.0
188.10129	1.5
229.64835	1.0
235.08133	2.1
253.09229	2.8
255.23154	1.0
277.21722	43.5
278.22086	6.4
279.23172	1.5
301.57996	0.9
405.17575	4.3
423.18805	7.2
631.26556	1.1
651.24548	1.6
683.40100	100.0
684.40356	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	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33278	1.1
55.42035	1.0
57.03445	2.7
58.11119	1.0
59.01380	8.1
61.98830	11.4
71.01367	3.8
71.61475	1.1
71.61861	1.1
78.95896	1.2
89.02433	4.0
95.05047	1.4
97.06590	15.7
101.02445	3.0
113.02440	1.6
123.08146	6.8
125.09725	100.0
126.10047	5.4
152.88475	1.1
169.08682	3.2
179.05592	1.1
187.09752	74.1
188.10078	3.7
222.24033	1.1
239.46861	1.2
253.09309	3.0
277.21689	14.8
405.17627	5.2
423.18695	16.1
424.19019	1.6
644.57483	1.1
683.40088	93.4
684.28693	1.2
684.40430	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	683.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84653	0.9
56.92404	1.0
59.01381	100.0
60.01702	1.0
61.98829	5.8
62.14217	0.9
71.01378	5.3
71.61394	1.1
73.02935	1.5
77.96663	0.9
78.95902	1.9
83.05036	5.6
89.02435	1.5
92.34174	1.0
101.02423	2.9
113.02431	2.7
119.03483	1.0
143.03520	1.1
161.04526	2.2
182.46013	1.0
205.12230	1.4
208.96135	1.2
239.23788	1.4
251.23538	1.2
255.23286	44.8
256.23611	3.8
259.78503	1.0
267.23267	1.2
269.24857	49.4
270.25092	4.0
277.21652	6.2
279.23288	5.7
280.23666	1.1
294.87457	1.1
297.24374	17.8
309.24149	1.0
313.23746	4.0
327.25375	2.1
447.25186	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68216	11.8
58.89955	13.3
59.01363	35.7
61.98833	76.1
62.06198	11.7
66.38569	11.7
68.50456	14.0
69.45943	100.0
71.08797	12.6
78.35014	13.4
78.82306	12.0
78.95885	24.1
86.23089	12.9
123.40883	13.3
143.44118	12.1
164.12753	12.0
223.35001	13.4
277.21765	15.1
296.94559	12.6
328.78168	14.0
365.78925	14.7
455.74393	14.2
667.32361	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	683.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10943	1.8
58.00571	2.1
59.01379	48.0
60.97907	1.9
61.98845	9.1
69.26367	4.7
69.27023	19.9
70.56260	1.8
71.01380	14.9
73.02972	3.2
80.91695	3.5
83.01363	2.4
85.02951	5.9
87.00889	7.3
89.02463	6.6
101.02441	8.7
109.06594	2.8
113.02457	8.7
145.05064	3.6
161.04559	3.4
163.17838	1.8
169.51622	2.2
171.10271	66.6
172.10635	4.4
195.13753	2.5
235.08247	11.2
248.13942	2.0
253.09258	6.9
255.23354	4.3
263.16522	2.2
275.20294	5.0
277.21622	5.3
277.54828	2.3
279.23215	4.8
293.21204	26.9
294.21530	3.5
325.25443	5.7
329.05112	1.9
341.24945	3.3
343.26437	6.7
359.26047	5.6
369.24313	9.1
387.20786	3.5
387.25415	36.1
405.26465	23.0
406.26590	2.0
569.13812	1.9
595.34918	4.4
623.34332	100.0
624.34460	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	683.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
58.00605	1.1
59.01380	23.0
59.39460	0.5
61.98828	2.4
65.72233	0.4
71.01383	7.2
72.99300	2.3
73.02955	2.3
73.30586	0.4
75.00854	0.5
83.01389	1.3
85.02972	2.6
87.00878	14.4
89.02438	1.9
95.01357	0.6
97.02958	0.6
98.80075	0.4
99.00884	0.9
101.02444	4.5
103.00372	2.7
108.02187	0.8
109.02923	0.9
112.98816	2.5
113.02430	2.7
119.04984	0.5
121.02922	1.4
122.45818	0.5
125.02438	1.6
127.11312	0.7
130.99846	2.1
133.02989	0.6
134.03758	0.8
135.04521	6.7
137.02428	1.3
139.00368	0.5
143.03485	1.1
147.04529	0.5
149.00911	3.4
149.59677	0.5
150.03197	0.6
151.03984	0.8
152.01134	1.2
153.01964	0.6
161.02435	1.0
161.04597	0.6
163.04022	1.3
165.05496	0.7
168.00600	0.4
178.02548	0.6
179.03517	2.7
181.05061	1.1
193.05019	0.5
219.03053	0.9
239.16261	0.6
255.19827	0.5
257.17523	1.2
283.19077	0.9
285.20688	5.1
293.03064	1.5
297.09708	0.6
303.21765	23.1
304.22025	1.6
315.21799	0.8
317.23212	0.5
337.09033	0.5
345.22708	0.6
407.55508	0.5
447.25989	9.8
448.26309	1.1
465.26993	25.8
466.27423	3.9
507.28094	100.0
508.28430	15.0
519.24164	0.7
551.30524	1.3
593.16156	0.5
597.27502	1.7
639.28357	2.7
683.26685	1.7
683.38049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44317	0.8
56.12928	0.8
56.51340	0.9
57.03447	3.5
59.01093	1.1
59.01382	16.8
61.98839	18.9
68.99799	1.4
71.01393	7.1
71.01775	1.3
71.05038	1.0
71.61492	1.3
72.99309	4.0
73.02944	2.8
75.00861	1.2
83.01412	0.9
83.66399	1.0
84.99320	2.3
85.02952	2.1
85.06616	1.5
87.00385	1.3
87.00887	21.2
87.04514	3.2
89.02432	3.0
92.10741	0.9
93.03450	2.3
95.01382	1.2
95.05049	1.0
96.96019	1.5
97.02917	1.1
97.06591	1.3
99.00896	2.1
99.04522	1.2
101.02448	3.3
101.06049	1.5
103.00391	3.7
105.03450	1.0
107.05026	1.5
108.02178	0.9
109.02988	6.8
111.00864	2.5
112.98825	37.6
113.02421	2.7
113.99133	1.5
116.92866	1.7
117.03445	1.6
119.05016	4.1
121.02959	4.4
123.04515	1.9
125.02432	1.1
127.00365	4.3
130.99866	3.3
133.02052	1.0
133.02980	12.8
134.03761	14.4
135.04533	98.5
136.04863	4.6
137.02432	9.0
137.64719	0.9
138.05658	1.0
139.00336	3.2
145.02957	1.9
147.04501	2.5
149.00914	16.9
149.02296	1.4
149.02502	1.3
149.06102	4.0
151.03999	1.5
152.01132	1.0
159.04506	2.1
161.02461	17.1
161.04552	1.4
161.06070	1.5
163.04001	9.6
163.07626	0.8
164.04333	1.0
165.05580	1.4
165.12764	1.5
167.03407	1.7
171.10265	1.5
175.04030	4.7
177.01973	7.0
177.05536	5.9
178.02718	6.3
179.03506	63.1
180.03831	2.6
183.10413	0.8
183.13933	4.1
185.11800	5.0
187.03973	3.9
187.07487	1.3
191.03490	3.0
193.05023	3.9
199.79353	1.0
201.05505	1.7
202.06168	1.0
203.03520	1.8
204.92998	0.9
205.05066	2.7
211.13403	2.6
215.12933	3.5
219.02977	17.6
220.03317	1.8
221.04546	2.2
227.12886	2.1
231.02985	3.4
233.04539	2.3
243.15935	5.2
248.06924	1.1
251.12964	1.0
255.16086	1.0
275.01917	1.2
277.03323	1.1
283.13434	1.5
293.03036	34.5
293.13879	1.8
294.03378	2.8
303.13177	0.9
307.04681	6.4
309.14996	2.8
311.07822	1.5
327.15881	4.3
329.23355	1.5
341.08572	1.2
345.17084	15.5
346.17358	2.2
353.10336	2.6
357.26358	1.8
359.24265	2.1
371.17020	3.3
371.24426	11.1
372.24313	1.1
373.26028	0.9
375.27499	7.0
387.23712	1.2
389.15970	2.9
389.25427	100.0
390.25793	10.3
417.28351	1.3
431.26257	1.8
489.27069	1.0
503.24945	3.1
507.22430	6.1
508.22070	1.3
521.26062	47.4
522.26404	8.2
551.21301	10.7
551.30286	1.8
552.22229	1.5
623.35156	1.3
683.25195	1.9
683.36829	3.6
684.38745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71926	0.4
58.49707	0.4
59.01380	48.6
60.01723	0.8
61.98836	4.9
71.01383	1.7
71.61864	0.6
72.99306	0.8
73.02963	0.8
80.05059	4.7
85.02939	0.8
87.00869	1.6
92.05056	1.3
94.06612	1.0
101.02461	0.9
103.00393	0.9
104.05069	1.9
106.06628	9.4
107.03711	0.4
108.04532	0.7
109.02960	1.0
112.98830	2.5
116.05062	0.7
118.06628	0.5
119.05006	0.7
120.04560	1.9
120.08189	3.2
121.02967	1.0
121.05317	3.4
122.06129	21.4
130.06648	1.9
132.04558	1.5
133.02977	0.7
134.03766	1.4
134.06122	38.6
135.04549	3.8
135.06511	1.3
137.02466	1.0
146.06175	2.2
148.04053	2.0
148.05235	1.0
148.07692	0.9
149.00934	2.9
149.06065	0.6
150.05661	0.5
150.06845	0.8
152.01111	0.6
152.07153	2.8
158.02547	0.9
158.06084	0.5
159.05641	0.8
160.04091	2.9
160.06438	9.7
161.02480	0.8
161.04770	1.6
162.05527	0.8
163.04076	0.6
163.07664	1.3
167.03479	1.3
173.04849	1.0
174.05626	5.4
175.04037	0.5
178.02673	1.1
179.03461	1.8
186.05585	1.2
186.09097	0.5
190.05063	2.4
194.08250	1.1
197.07243	1.2
198.07890	0.8
198.12906	1.9
200.07112	0.8
211.08719	1.5
211.12505	0.4
213.10327	47.3
214.10686	2.9
214.12460	0.7
219.03024	1.0
221.10933	0.6
223.08690	2.4
224.09485	1.0
225.10304	5.3
226.11099	5.2
227.11861	3.8
231.10233	0.7
231.29128	0.4
233.07002	0.6
234.07970	0.9
235.08777	1.0
236.09578	1.1
237.10364	1.8
239.11897	24.1
240.12260	2.9
241.09785	1.0
241.13457	24.2
242.13843	1.8
245.12604	0.4
247.08830	0.7
249.06636	0.5
249.10349	3.0
250.07639	0.5
250.11037	0.6
251.08116	0.7
251.09406	0.5
251.11916	5.3
253.13490	1.4
262.07367	1.0
263.08182	1.1
263.11877	0.8
264.09039	0.9
265.09854	1.0
267.06763	0.6
267.11395	2.5
275.09119	0.8
275.12061	0.8
277.09799	8.6
278.07288	0.6
278.10495	2.5
279.08344	0.5
279.11429	2.0
285.12439	98.1
286.12778	8.9
287.13940	2.5
291.07883	1.1
291.11285	0.8
292.08368	0.9
293.03055	1.5
293.09433	1.5
293.12930	11.7
294.10251	0.7
294.13330	1.4
295.10837	5.2
301.11975	0.5
305.09290	7.8
306.09970	1.4
307.10928	4.6
308.11465	1.1
314.12985	0.7
315.14941	1.0
315.51404	0.5
316.14471	2.1
317.14914	0.6
321.08722	1.7
321.12134	0.7
323.10480	0.7
328.10892	3.4
328.14417	0.7
329.11612	0.7
329.15396	0.6
330.12527	0.9
330.16147	1.2
332.17606	1.6
337.11938	4.8
338.12497	0.8
340.10910	0.9
340.14523	2.3
341.11771	1.4
342.12473	3.4
343.13153	2.8
344.13895	2.5
344.17868	1.7
345.17249	1.3
354.12408	0.7
355.13089	4.3
356.13919	3.3
356.17685	0.7
357.14819	3.8
358.15588	22.6
359.15805	2.7
360.17056	0.6
365.11389	10.6
366.11972	1.3
367.12909	2.7
368.09879	0.8
368.13687	1.5
368.17819	0.7
369.14606	2.0
370.11484	2.2
370.16113	2.6
371.16705	0.9
372.17081	1.5
382.15738	1.4
383.12601	2.1
384.13300	5.5
384.16693	0.7
385.14127	1.5
389.16089	1.3
394.15308	0.6
396.13489	1.4
397.14105	8.4
398.14706	2.7
398.19379	0.5
399.16000	1.8
400.16620	17.5
401.16772	2.3
410.15057	1.1
411.15991	0.8
412.16681	7.5
413.16629	1.0
426.18558	0.6
444.15485	0.5
456.16000	0.6
463.21429	0.5
475.17691	0.8
476.18170	0.9
479.24310	0.9
479.37701	1.4
489.19528	0.7
490.20093	1.7
491.20694	3.3
492.20892	1.0
503.24585	1.5
505.22531	5.1
506.23013	1.4
519.23779	1.5
521.16730	0.6
531.19403	0.5
532.20966	0.8
539.26752	3.1
540.27301	0.5
547.23517	24.7
548.23895	5.1
551.19116	0.5
563.25269	0.9
565.24500	19.2
566.24927	4.6
573.21765	0.6
579.26221	1.1
583.25592	2.6
591.22449	16.3
592.22827	2.9
607.25610	89.6
608.25909	19.0
609.23566	1.6
610.24377	4.0
611.24554	0.6
623.24768	2.3
623.41644	0.6
624.25159	1.0
639.28180	1.2
651.24585	100.0
652.24902	23.9
683.27130	16.9
683.37366	1.0
684.27258	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	683.22
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35004	1.4
57.03452	1.6
59.01383	22.0
61.98823	8.0
65.86535	1.3
67.69727	1.2
69.50028	2.4
69.50440	7.9
71.01389	7.3
72.99291	4.4
73.02936	2.5
79.99239	1.1
83.91759	1.1
84.99280	3.4
85.02946	2.7
87.00880	25.3
89.02453	5.5
93.03482	1.6
95.01392	1.5
98.20569	2.6
99.00893	1.4
100.03212	1.2
101.02435	4.2
103.00354	2.3
105.01968	1.6
108.02163	2.1
109.02939	8.6
111.04523	3.2
111.08147	1.6
112.98819	56.1
113.02427	6.6
113.99168	2.0
117.03432	1.5
119.03547	1.6
119.05032	2.3
121.02941	4.7
123.04492	1.3
127.00388	8.3
130.99875	5.1
133.02972	14.2
134.03789	7.5
135.04535	100.0
136.04868	3.1
137.02449	10.7
138.05539	1.4
139.00365	5.0
140.07185	6.6
145.02962	3.0
147.04524	2.0
149.00917	17.0
149.02103	1.6
149.02583	1.1
149.06006	3.4
150.03212	1.9
151.03981	1.4
152.84348	1.3
159.04478	3.6
161.02437	24.9
163.04047	14.1
165.12839	22.4
168.00697	2.4
173.02423	1.5
175.04002	3.3
177.01955	2.3
177.05548	4.3
178.02649	1.4
179.03500	52.8
180.03806	2.6
183.13907	58.6
184.14171	3.8
187.03975	2.9
191.03471	8.4
193.05165	1.4
197.15395	1.4
203.03427	2.4
205.05136	1.9
207.13884	3.0
209.11775	2.5
215.12892	3.7
219.03000	35.2
220.03300	2.3
221.04526	1.4
227.12903	90.7
228.13203	6.2
231.03049	6.1
251.12888	7.4
253.58928	1.3
269.13907	3.0
275.02042	3.9
293.03024	67.2
293.14133	1.9
294.03314	4.9
307.04834	1.5
341.12454	2.8
345.16876	4.1
345.21176	1.2
357.26532	1.9
359.13428	3.4
371.24063	2.2
375.27499	2.2
389.18103	55.8
389.25439	19.0
389.29453	1.9
390.18619	6.4
390.25739	1.4
455.08109	2.1
479.31891	1.5
503.17560	1.6
507.21503	1.4
521.18585	36.0
521.26068	10.0
522.19128	5.3
537.71057	1.5
551.20319	2.7
552.23999	2.1
635.88019	1.2
683.37341	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	683.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01382	12.8
59.03609	0.6
61.34892	0.7
61.61096	0.7
61.98822	1.8
69.03475	0.8
71.01385	7.2
72.99309	2.7
73.02975	0.9
83.01389	1.1
85.02950	5.1
87.00875	8.2
89.02470	3.1
93.03454	1.5
95.01408	1.7
97.02972	0.7
98.19839	1.9
99.00870	1.7
101.02440	3.6
103.00365	3.0
108.02176	58.6
109.02991	11.2
111.00916	0.7
112.98813	4.9
113.02435	3.8
117.92393	0.7
119.03459	0.7
119.05077	1.4
121.02958	19.1
125.02444	1.8
127.00329	1.1
130.99841	1.6
133.02972	2.1
134.03729	2.5
135.04520	16.8
136.04840	1.1
137.02426	3.3
139.04010	1.8
143.03520	0.8
145.02914	0.9
147.04530	0.9
149.00914	9.9
149.02324	1.2
149.06081	0.8
150.03232	3.4
151.03989	1.3
152.01155	100.0
153.01935	8.2
161.02440	4.2
163.04001	4.0
165.05608	3.0
165.12769	0.9
168.75366	0.8
175.03914	0.9
177.05495	1.6
178.02637	1.2
179.03503	10.9
183.13885	0.9
191.03473	1.7
193.05066	2.2
195.06555	0.9
197.04491	1.4
205.05215	0.7
219.02962	7.9
227.12924	2.5
231.03003	1.1
249.04097	1.0
260.14301	0.6
293.03043	6.8
303.21664	2.3
311.04160	1.1
312.79446	0.7
317.10281	2.4
339.09857	1.6
345.16815	0.9
389.12329	3.9
389.17789	1.6
399.08896	0.9
419.14252	0.7
447.11377	1.0
447.26041	1.0
465.26926	2.6
507.28140	14.7
508.28537	1.6
521.12994	1.9
543.13611	1.3
551.23181	2.1
561.14539	22.3
562.14966	2.4
608.17010	0.7
683.18213	65.9
684.18658	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	683.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19117	0.5
51.49533	0.7
57.06691	0.5
58.00587	1.2
59.01382	31.1
60.95678	0.5
61.98824	2.1
62.83829	0.6
67.03017	1.1
68.99821	1.3
69.40543	4.1
69.40951	1.1
71.01386	2.3
72.99306	4.3
73.02934	0.8
75.00895	0.7
80.04066	0.5
83.01392	0.9
83.12227	0.5
83.87619	0.5
84.99322	1.4
85.02960	0.8
87.00874	18.0
89.02436	0.9
93.03477	1.4
95.01387	0.7
96.99336	1.0
99.00917	1.0
101.02459	1.7
103.00386	15.7
107.05013	1.1
108.02151	1.7
109.02960	8.5
111.00914	1.5
111.01996	2.4
112.98820	20.6
113.02426	1.4
117.03451	1.1
119.05032	1.9
121.02981	3.8
122.03741	0.6
123.04549	3.2
127.00378	5.9
127.41478	0.5
130.99893	8.3
133.02986	9.1
134.03758	10.8
135.04535	100.0
136.04878	3.8
137.02455	10.4
139.00383	5.6
139.04057	1.4
145.02902	1.3
147.04550	2.4
148.10867	0.6
149.00923	19.0
149.02438	4.3
149.06070	4.6
150.01390	0.7
150.03238	8.5
151.03952	1.7
152.01183	2.9
153.01991	1.1
154.99883	0.7
158.03738	0.6
159.04506	2.1
161.02458	22.4
162.02879	1.0
163.04031	10.7
164.04713	1.2
165.05562	11.5
167.03648	0.6
168.00740	0.6
173.02446	2.0
175.03996	1.3
177.05585	2.0
178.02722	4.7
179.03510	56.9
180.03914	2.5
187.04057	1.3
189.01978	0.6
191.03503	6.7
191.07127	1.5
193.05074	14.6
195.06660	5.8
205.05093	2.4
219.02985	32.2
220.03362	1.4
221.04509	1.7
227.12842	0.8
231.03030	5.7
267.06622	0.7
275.01999	3.3
282.08978	1.5
293.03033	43.6
294.03458	2.9
294.08600	0.7
297.11343	0.9
303.21609	0.7
311.09512	0.8
317.10129	0.8
327.12384	1.6
335.61810	0.6
341.10220	6.4
359.11475	0.7
389.12430	22.3
389.25479	1.4
390.12814	2.7
465.27081	0.9
467.69943	0.6
507.28110	7.6
508.28653	0.7
521.12982	11.6
522.13745	1.3
653.27747	1.1
683.18011	1.0
683.39044	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	683.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.9
59.92966	0.9
60.85005	0.8
61.98830	3.7
70.26608	3.5
71.01395	3.3
72.99326	3.6
75.00877	2.0
80.57642	1.0
84.99322	1.8
85.02962	2.2
86.38435	0.9
87.00879	20.4
88.98814	2.0
89.02447	2.1
93.03496	2.3
101.02434	2.1
103.00369	15.4
107.05062	1.6
108.02193	1.4
109.02953	9.3
111.00882	2.0
112.98819	20.8
113.02480	1.8
115.55855	0.8
117.03513	1.2
119.05048	2.6
121.02943	2.7
122.06138	1.6
123.03262	1.3
123.04501	1.2
124.01679	2.8
127.00363	7.3
130.99872	7.9
133.02931	8.8
134.03748	12.1
135.04529	100.0
136.04875	2.8
137.02461	11.7
138.05620	2.6
138.92836	1.0
139.00374	5.2
139.04028	3.6
145.02966	3.5
147.04483	2.2
148.05333	1.3
149.00931	32.7
149.02388	3.5
149.06084	3.4
150.01286	1.2
150.03217	12.7
151.04010	2.5
152.01141	2.1
152.07140	1.4
154.99915	1.4
159.04495	1.8
161.02461	23.5
162.02824	0.9
163.04030	11.6
165.05569	14.3
167.03487	1.2
173.02495	1.7
175.03999	2.6
176.04639	1.5
177.02000	1.0
177.05539	3.3
178.02797	4.9
179.03497	61.9
180.03983	3.4
187.04099	1.7
190.02602	0.9
190.06383	0.9
191.03490	6.9
191.07146	5.4
193.05067	17.0
194.05534	1.3
195.06636	4.2
205.05066	2.2
205.08464	0.9
209.08244	2.0
219.02962	34.1
220.03287	2.1
221.04550	1.6
229.74867	1.0
231.03008	5.4
275.02002	3.3
279.06601	1.0
293.03036	46.7
294.03314	3.2
297.11349	2.5
302.08133	1.2
309.77374	1.0
311.04025	2.2
317.10339	5.7
327.12387	6.5
339.09796	3.1
359.11212	1.8
389.12448	18.3
389.25391	3.5
390.12512	2.0
465.26724	1.5
479.15311	1.3
507.28110	5.0
521.12469	10.2
521.26038	2.2
521.33832	1.0
551.21332	1.4
551.31061	1.1
683.24854	1.2
683.38452	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	683.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03558	0.7
51.96411	0.7
57.03445	1.0
58.00587	1.2
59.01379	30.1
61.98825	6.4
62.20037	0.7
62.22935	0.7
68.99823	1.4
71.01380	4.7
72.99306	4.2
73.02915	1.2
73.78341	0.7
75.00875	1.6
83.01392	1.5
83.05043	1.0
84.99308	2.6
85.02953	2.9
87.00878	20.5
89.02451	2.2
93.03460	1.7
94.97871	0.7
95.01406	1.2
96.00863	0.6
96.96072	0.8
96.99340	1.2
97.06599	0.8
99.00864	1.8
99.04498	0.8
101.02443	2.9
103.00370	11.2
107.05003	1.9
108.02171	2.6
109.02949	10.5
110.36298	0.7
111.00884	2.2
112.98811	29.1
113.02475	1.5
116.92896	1.2
117.03474	1.5
119.03542	0.9
119.05045	4.1
120.76996	0.8
121.02948	4.8
122.03761	1.7
123.00871	0.8
123.04532	1.6
124.01655	2.2
125.02442	1.7
127.00388	8.7
129.96892	0.7
130.99857	9.2
132.02182	0.9
133.02950	11.3
134.03746	20.3
135.04524	100.0
136.04813	4.4
137.02440	14.5
138.05588	0.8
139.00372	7.8
139.04016	3.1
145.02942	3.0
147.04524	3.0
148.05235	0.9
149.00914	20.2
149.02429	5.6
149.06075	7.9
149.99579	1.2
150.03220	14.3
151.04028	4.0
152.01128	3.1
153.01773	1.0
154.99849	2.1
159.04524	3.2
161.02438	27.3
161.05971	0.9
162.02802	1.4
163.04002	14.4
164.04738	1.6
165.04158	1.0
165.05550	17.4
167.03383	1.0
168.00673	2.4
173.02441	2.4
175.03964	2.1
177.01929	1.5
177.05565	3.1
178.02727	7.6
179.03499	57.1
180.03937	3.2
181.05049	2.4
187.04028	2.6
191.03531	9.5
191.07198	1.1
192.03931	0.9
193.05054	24.7
194.05476	1.7
195.06595	6.0
200.07874	0.7
203.03633	0.8
205.05048	2.5
219.02979	45.2
220.03313	2.1
221.04514	2.3
231.02966	7.8
231.73225	0.7
235.06061	0.9
243.16135	1.3
267.06689	1.0
275.01987	5.3
282.08972	2.5
283.60120	0.8
293.03021	61.8
294.03333	3.3
317.10239	1.3
327.16010	1.7
337.13367	0.8
341.10394	7.4
345.17065	1.1
361.92059	0.7
371.24237	1.2
389.12393	44.4
389.25436	17.1
390.12704	4.5
461.13290	0.9
507.22073	1.8
521.12982	10.0
521.25903	6.8
521.33191	1.3
522.13220	1.5
551.21655	2.1
551.31610	2.3
639.35876	1.1
683.22723	3.6
683.38696	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	682.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08891	1.8
55.51311	1.6
57.03441	3.8
59.01381	31.0
59.30811	1.6
60.01729	1.8
61.98830	90.0
65.85589	2.0
66.03474	1.6
69.03465	2.1
69.33739	6.8
69.34162	9.8
71.01380	12.2
72.81446	1.7
72.99320	2.2
73.02973	2.1
81.34821	1.9
83.01388	2.3
85.02971	3.7
87.00882	12.0
88.98825	2.2
89.02419	4.0
93.03476	2.1
95.01366	3.1
99.00896	2.8
99.04525	2.7
101.02443	5.9
103.00352	3.7
105.07088	4.6
109.02952	5.3
110.02443	3.6
112.98808	18.0
113.02460	4.7
119.05016	8.2
121.02969	11.6
123.04546	13.6
124.01657	3.2
125.02428	2.1
133.02928	5.0
134.03717	7.5
135.04515	32.7
136.05287	1.8
137.02438	3.1
139.04060	2.8
145.02950	3.7
146.03651	2.2
147.04463	5.2
148.05269	2.8
149.00917	20.3
149.02138	2.7
149.06085	31.1
150.03218	21.2
152.01109	2.1
159.04460	1.8
161.02400	7.7
161.04544	3.5
161.06021	4.0
162.06714	1.9
163.03992	11.0
163.07565	2.2
164.04883	3.0
165.05557	15.7
167.03572	1.9
174.03165	2.7
175.03958	3.1
175.07610	4.5
177.01979	4.6
177.05562	3.4
177.09064	2.3
178.02536	3.4
179.03462	9.1
179.07124	5.6
191.03531	3.3
193.05069	3.2
193.08664	7.3
194.32890	1.8
201.05589	3.3
201.09229	7.9
205.08675	5.5
211.13286	2.7
215.06891	1.8
216.32144	1.8
219.02856	2.4
219.10214	28.9
231.06699	2.1
231.79279	2.2
233.04506	2.4
267.02869	3.6
271.06140	2.3
282.05261	10.3
285.07764	3.3
286.08398	6.2
291.04834	2.3
293.03183	2.6
295.06158	3.3
301.10754	10.9
307.04718	2.2
344.15628	3.3
345.16830	5.1
345.78223	2.3
353.13846	2.4
371.14963	100.0
372.15399	10.2
443.77780	1.9
461.12167	4.3
507.20224	3.2
551.19177	4.8
575.21301	54.3
576.21667	9.8
641.37646	1.9
682.38550	2.5
683.25397	3.7
683.36816	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	683.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.5
61.98819	9.2
69.80274	8.3
71.01360	2.9
72.99312	4.0
74.40250	1.7
75.00861	1.7
79.70293	1.6
87.00880	4.6
87.97986	1.5
89.02459	2.0
93.03519	1.8
96.96017	3.1
97.03008	1.6
98.19819	2.1
99.00858	1.8
108.02210	2.1
109.02945	6.4
111.00887	1.6
112.98880	2.8
116.92905	2.4
119.05035	5.2
120.05372	1.6
121.02952	2.1
121.84338	1.5
128.03461	2.0
133.02948	6.2
134.03749	3.6
135.00896	3.0
135.04521	23.0
137.02438	6.4
145.03006	2.4
147.00784	3.8
148.01662	2.5
149.00938	5.6
149.02425	2.0
151.00375	5.2
151.04008	1.6
152.01205	2.0
152.89996	1.5
156.71037	1.6
161.02460	6.0
163.00363	11.2
163.04001	7.4
164.04372	2.3
165.01889	4.0
165.05562	1.8
167.03520	2.7
171.04530	1.7
175.00403	3.9
175.04019	1.6
176.01137	12.8
177.01921	5.9
178.99861	2.7
179.03482	12.2
181.04950	1.6
183.04526	2.0
189.99063	2.3
192.00571	9.6
193.05077	2.6
194.20514	1.8
204.72585	1.7
211.04071	8.3
212.04652	2.8
213.05569	1.5
215.03448	2.8
219.79086	1.6
220.00131	5.0
227.03419	5.7
228.04320	5.5
239.03506	7.0
240.04211	3.4
241.05051	4.1
242.02261	2.9
243.02954	4.4
251.03307	2.5
255.02972	11.6
256.03772	12.9
257.04514	9.4
267.02985	17.3
268.03607	7.0
269.04428	2.3
270.01752	2.6
271.02463	17.2
283.02478	46.6
284.03082	13.7
285.03961	17.9
294.01828	2.3
295.02487	9.7
300.02747	31.0
301.03406	11.8
311.01968	12.2
312.02740	44.8
313.03491	33.7
314.03711	2.7
341.08777	3.3
378.52164	2.0
400.34341	1.9
529.11914	5.2
551.18036	2.1
609.14587	25.7
610.14661	4.9
621.14435	29.8
622.14557	5.0
622.92853	2.0
665.13593	100.0
666.13977	16.2
683.13843	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	682.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
58.00581	0.9
59.01385	13.6
59.35975	0.8
61.98834	54.2
69.30335	3.5
69.30759	3.9
71.01391	6.5
72.99309	3.5
73.02945	1.7
75.00871	2.4
85.02954	2.9
86.00128	0.9
87.00877	7.5
88.98776	0.8
89.02428	1.7
89.46181	0.7
95.51584	0.8
96.96024	1.8
97.02924	0.8
99.00859	1.2
101.02441	3.1
103.00368	2.8
105.07088	3.2
107.05029	1.9
108.02153	1.6
109.02927	3.1
112.98821	9.7
113.02439	1.8
116.92852	2.0
117.03468	1.3
118.90910	0.8
119.05006	2.1
121.02919	5.2
123.04524	11.6
124.01630	3.0
124.02522	0.9
130.06276	0.8
130.99837	1.6
133.02933	1.8
134.03781	4.0
135.04533	28.3
136.01709	1.0
137.02414	1.2
138.01933	1.4
139.03995	1.8
145.02922	1.5
146.03806	1.2
147.04504	3.0
148.05240	1.5
149.00919	16.7
149.02242	1.2
149.06068	28.0
150.03235	19.5
150.06416	0.9
151.03928	1.3
158.03780	1.0
159.04459	2.6
161.02423	3.1
161.04527	1.4
161.06053	2.5
162.03239	1.8
163.04008	6.2
165.05557	15.2
173.06128	1.4
174.03317	1.2
175.03864	1.6
175.07631	3.5
177.01860	0.9
177.05553	1.8
178.02715	1.2
179.03488	10.5
179.07133	1.1
187.03989	1.1
187.07617	1.9
189.05537	1.4
191.03458	1.4
193.05052	1.3
193.08728	7.2
201.05511	4.8
201.09212	11.7
202.06018	1.1
203.03496	4.5
203.10959	1.1
204.03876	2.6
205.08708	6.8
213.09166	0.9
215.07047	1.0
217.05009	3.0
219.02858	1.3
219.10249	24.1
220.10568	2.4
233.04472	1.0
244.07001	0.9
269.08209	1.2
271.06082	1.3
284.07037	1.0
285.07498	2.3
286.08438	7.2
293.03082	2.7
295.06052	2.6
301.10849	8.7
301.14313	1.2
307.04575	2.3
311.04092	2.4
343.15247	0.9
345.17133	3.9
353.13904	2.3
357.26193	0.9
357.35321	1.0
371.14996	100.0
372.15344	13.5
373.26053	1.2
374.25992	1.8
375.27609	2.0
389.25345	1.1
507.20209	2.1
515.19037	1.1
521.16785	1.2
551.19739	1.7
575.21332	46.1
576.21759	8.4
615.79321	2.0
616.29865	2.9
616.80005	2.9
683.36090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.8
59.01380	30.3
61.98829	93.1
66.03507	1.8
70.75600	3.3
71.01395	9.4
72.65662	1.4
72.99308	4.6
73.02920	2.3
74.22620	1.4
77.63926	1.5
77.82635	1.4
81.69420	1.6
83.01379	4.0
85.02942	4.1
87.00892	10.6
89.02441	3.0
91.19658	1.5
92.20261	1.6
93.03464	2.0
95.01402	2.5
96.96013	2.4
101.02424	3.9
103.00394	3.3
105.07094	2.2
107.05009	2.1
109.02925	4.4
110.02458	3.8
112.98827	17.6
113.02442	4.8
113.06106	1.5
113.18069	1.5
116.92860	1.9
119.05022	9.2
121.02954	10.0
123.04548	14.6
125.02419	1.8
127.00337	1.8
133.02933	5.2
134.03769	8.0
135.04535	29.3
136.04875	1.5
137.02478	4.1
137.06099	1.9
145.02945	3.9
146.03694	2.6
147.04515	5.5
148.05280	2.9
149.00914	12.7
149.02338	2.1
149.06085	30.4
150.03214	20.5
153.01997	1.5
159.04527	3.6
161.02451	4.8
161.06024	4.2
162.03020	1.9
163.04045	10.7
163.07619	2.5
164.04723	1.8
165.05582	18.6
175.04021	4.3
175.07590	4.0
177.01875	3.8
177.05498	3.2
178.02687	1.7
179.03510	7.6
179.05722	1.9
179.07147	7.0
187.03864	1.8
191.03571	2.0
193.05070	2.0
193.08665	5.6
196.08208	1.6
201.05556	4.9
201.09166	7.0
205.05334	1.9
205.08682	5.8
211.13332	2.0
215.07095	2.0
217.05096	3.0
219.02954	2.4
219.10275	24.0
230.05872	1.9
239.03429	2.7
262.10428	1.9
267.02954	3.6
282.05325	10.2
285.07684	2.2
286.08444	4.6
293.03098	2.9
295.06067	5.1
301.10800	7.3
316.83151	1.8
344.15778	3.1
345.17078	2.9
353.13800	4.2
365.13699	3.3
371.14999	100.0
372.15350	11.7
375.27539	2.7
403.14337	1.8
461.12466	2.1
507.20227	6.7
533.19775	1.8
551.18994	4.2
575.12415	3.0
575.21313	49.3
576.21783	9.7
681.38300	2.2
682.38123	2.3
683.25916	1.9
683.36987	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	681.377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99589	26.2
59.06366	29.8
61.98829	100.0
62.02135	34.9
62.32887	27.9
62.93104	24.6
87.96204	28.4
277.21689	56.7
295.22742	70.4
679.29926	32.9
681.38165	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03437	1.3
58.00594	1.9
59.01384	34.6
61.98834	2.7
65.79420	0.3
68.99803	0.5
69.03456	2.0
69.36110	2.2
69.36536	0.8
71.01387	34.6
72.01720	0.5
72.99316	3.5
73.02944	5.2
75.00864	1.1
77.43192	0.3
81.03456	1.9
83.01395	4.8
83.04965	0.3
85.02445	0.4
85.02955	7.2
87.00375	0.6
87.00881	8.9
89.02450	29.9
90.02785	0.8
91.04004	0.4
95.01400	2.6
96.35780	0.3
97.02956	6.2
98.03321	0.3
99.00873	2.7
99.04515	0.4
101.02448	32.1
102.02776	0.6
111.00889	0.7
111.04531	1.6
112.01694	0.4
113.02460	14.0
119.03506	9.4
121.02961	0.7
123.04520	0.4
124.01595	0.6
125.02452	12.9
126.02761	0.5
129.02022	0.3
131.03506	1.7
133.05066	1.1
139.03989	1.0
141.01929	0.6
143.03506	5.8
149.04552	1.3
157.05098	0.4
161.04552	7.0
163.03995	0.4
167.03519	0.6
169.05122	0.4
171.02998	0.5
179.03403	0.5
179.03964	0.4
179.05634	5.7
185.04572	0.5
199.06117	0.5
203.05632	0.5
217.07147	1.1
219.05080	0.6
221.06651	2.5
235.08224	13.8
236.08553	0.8
253.09279	3.6
263.07556	1.6
265.25241	0.5
277.09259	1.1
277.21753	1.0
283.26428	100.0
284.26770	9.8
287.07721	3.7
297.27969	0.7
305.08780	5.2
323.09915	2.0
324.10220	0.4
331.80026	0.4
361.11438	0.6
379.12595	1.3
397.13510	86.6
398.13852	8.3
415.14569	32.1
416.14954	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	681.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.4
59.01379	4.2
61.98827	0.4
67.79307	0.3
71.01032	0.3
71.01385	2.3
71.61340	0.6
72.99281	0.7
85.02964	0.6
87.00850	1.0
87.33311	0.4
89.02437	1.9
93.03457	0.5
95.01380	0.4
101.02442	1.1
103.00400	0.4
112.98801	0.7
113.02439	0.9
117.03471	19.4
118.03793	0.6
119.03546	0.8
119.05024	6.5
121.02965	0.6
132.05801	0.4
133.02924	0.6
133.06552	0.4
134.02708	0.7
134.03743	15.3
135.04437	1.4
137.02461	2.5
139.04054	0.6
140.55611	0.4
145.02953	100.0
146.03287	4.2
149.00914	1.3
149.02228	0.4
149.06090	5.6
150.03255	0.5
159.04507	0.8
161.06085	1.3
163.04001	13.0
164.04437	0.6
177.01921	0.4
177.05511	0.4
178.02695	10.5
179.03529	0.8
187.03983	4.0
193.05057	37.6
194.05396	2.1
203.03513	0.7
205.05086	1.3
223.06116	0.7
235.06131	0.5
265.07080	1.8
325.09268	32.8
326.09622	3.3
339.08475	0.4
355.10330	5.2
356.10620	0.6
408.91479	0.4
417.12021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79754	0.6
57.03441	1.1
59.01380	40.2
59.10289	0.5
60.01713	1.3
61.98830	100.0
66.64939	0.6
71.01389	9.7
72.99338	1.8
73.02935	3.8
75.00864	1.5
83.01399	1.2
85.02959	4.5
87.00876	6.8
89.02444	5.4
95.01395	1.2
97.02944	0.7
99.00898	3.6
101.02441	6.7
103.00385	1.0
109.02950	1.1
111.00816	0.8
112.98828	3.2
113.02462	4.4
119.03492	2.0
119.05033	1.2
120.41228	0.6
121.02956	1.4
122.02511	0.7
125.02493	0.7
130.99890	0.6
131.03491	1.1
133.02980	1.6
134.03767	1.0
135.04509	5.1
137.02483	0.6
143.03508	1.3
145.03017	0.7
149.00957	3.1
149.02411	0.9
149.04564	1.1
159.04553	1.7
161.02518	0.6
161.04601	1.7
162.62303	0.6
163.04012	0.7
172.05356	0.8
178.02777	0.6
179.03481	4.2
180.03885	0.9
187.04091	0.9
189.05617	1.1
191.05705	1.7
215.03517	4.6
216.04289	2.4
219.03006	0.7
230.05797	0.6
231.06670	4.0
241.04861	0.8
259.06122	3.5
269.57004	0.7
271.16449	0.6
293.03171	1.1
374.17661	0.6
381.63855	0.6
385.26215	1.4
386.26236	1.4
399.23792	0.9
441.25421	1.6
531.27820	4.0
556.12085	0.7
573.29144	23.4
574.29633	4.4
592.28772	8.8
592.78955	3.5
593.29486	1.2
614.27905	0.7
620.41785	0.7
638.43469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66338	0.6
59.01382	11.2
61.98831	70.2
70.58196	2.2
71.01386	3.6
72.99303	0.9
73.02943	1.2
74.15171	0.6
75.00870	0.7
80.55994	0.5
81.88372	0.5
83.01376	0.7
85.02952	2.0
87.00867	1.2
88.98796	2.7
89.02435	2.0
95.01363	0.7
101.02425	2.0
107.05035	0.8
108.02168	0.8
109.02930	2.1
112.98801	4.2
113.02457	1.1
114.34272	0.7
116.92777	0.8
119.05019	0.9
121.02946	1.3
124.01675	3.6
134.03728	0.8
135.04523	3.5
136.01645	0.8
137.02373	0.8
138.03185	1.8
139.04015	5.2
145.02946	0.6
149.00911	1.8
149.02425	2.7
150.03224	24.1
151.03596	0.9
152.01137	0.7
153.01900	0.8
161.02388	0.7
163.04094	1.0
163.98438	0.6
165.05563	25.4
166.05925	1.3
173.06052	2.1
173.32849	0.6
177.05502	1.1
179.03465	2.2
186.06853	1.0
191.07172	3.0
193.42291	0.7
199.07637	19.2
200.08052	1.0
215.03513	0.9
217.05229	1.0
217.08678	15.0
217.15956	0.7
218.05733	1.1
218.09109	0.8
236.06842	1.0
259.05978	0.9
277.03751	0.9
283.19748	0.7
293.59555	0.7
319.09790	1.9
321.07709	0.6
331.04785	0.6
336.10168	1.0
337.10770	2.4
339.08698	2.8
351.12314	2.4
353.10355	0.8
354.11032	8.1
355.11566	0.7
369.13403	100.0
370.13803	11.8
385.25925	1.0
573.19769	44.4
574.20099	8.4
592.29053	1.0
614.28119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.7
57.03438	1.8
58.00585	1.5
59.01378	40.2
59.63081	0.6
61.28952	0.6
61.98832	9.4
69.03442	2.1
71.01379	35.2
71.61811	1.0
72.01694	1.1
72.99303	3.1
73.02946	6.8
80.96495	1.0
81.03450	1.9
83.01356	3.9
85.02947	8.1
87.00862	8.8
89.02438	30.6
93.03483	0.8
95.01393	1.9
97.02953	5.8
99.00865	1.2
101.02434	27.7
109.02943	0.7
111.00800	0.7
111.04507	1.7
111.11033	0.7
113.01694	1.0
113.02452	16.3
115.03975	0.9
119.03495	10.4
123.00856	0.8
125.02443	12.9
131.03503	1.6
141.01921	0.8
143.03502	6.5
149.04547	1.1
161.04562	5.3
167.03519	1.2
179.05602	6.8
217.07060	1.0
221.06606	2.4
235.08186	12.7
236.08405	1.1
245.06581	1.5
253.09169	2.9
263.07733	1.0
269.28571	0.7
277.09460	0.9
277.21606	1.1
281.24835	100.0
282.25198	10.2
287.07642	3.9
293.21045	1.0
305.08731	3.3
323.09738	1.1
356.99496	0.7
373.19870	0.7
379.12640	1.0
397.13474	84.0
398.13895	7.0
415.14539	33.5
416.14868	1.6
681.40253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16626	0.4
55.01870	1.1
57.03444	1.2
57.32126	0.6
58.00600	2.7
59.01384	35.3
61.98842	2.7
64.16064	0.4
68.99757	0.6
69.03439	2.1
69.20158	0.5
71.01388	33.8
71.61802	0.7
72.99314	2.5
72.99672	0.5
73.02959	6.1
75.00859	1.4
77.54733	0.5
79.82593	0.5
80.96511	0.9
81.03442	1.4
81.82308	0.5
83.01406	3.4
85.02951	6.9
86.00089	0.7
87.00877	10.3
89.02451	31.9
91.04035	0.8
93.54414	0.5
95.01395	2.4
97.02965	5.0
99.00901	2.5
99.04497	0.5
100.84897	0.5
101.02447	29.6
102.02773	0.7
103.03986	0.6
105.11661	0.5
109.02920	0.5
111.04507	0.8
113.01691	0.9
113.02452	13.4
114.02744	0.6
115.04021	1.2
116.92815	0.7
119.03507	9.5
124.01645	0.6
125.02457	12.9
127.04013	0.5
131.03499	1.8
132.02222	0.5
133.05063	1.6
135.04547	0.6
139.03987	1.1
141.01868	0.5
143.03519	5.5
149.04550	1.2
161.04550	6.7
167.03552	0.6
169.04961	0.5
173.55869	0.5
179.05626	5.7
185.04549	0.8
199.06087	0.8
217.07098	1.3
221.06743	3.0
235.08231	14.1
245.06520	0.8
253.09283	3.7
263.07632	1.0
263.31647	0.6
277.09354	0.9
277.21503	0.6
281.24857	100.0
282.25195	8.4
287.07758	3.8
305.08783	5.0
323.09787	1.7
350.40411	0.6
379.12503	1.3
393.95621	0.5
397.13513	83.4
398.13800	6.4
415.14575	35.2
416.14944	3.0
679.38556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17961	0.8
53.14455	0.8
53.30523	0.8
56.00748	0.8
57.03463	1.2
59.01380	45.8
59.12876	0.8
60.01706	1.6
61.01820	0.9
61.98833	17.0
67.97569	0.8
69.33252	7.1
69.33657	1.4
71.01378	5.7
71.37556	0.8
72.99316	2.6
73.02943	3.3
83.01386	1.2
84.99309	3.0
85.02969	3.2
87.00877	14.6
87.04491	1.5
89.02443	1.9
93.03511	0.8
96.99328	1.5
99.00890	1.9
101.02450	4.3
103.00389	2.9
107.04992	1.0
109.02953	3.1
111.00913	0.9
112.98812	23.6
113.02466	2.3
116.92857	2.2
117.03469	1.0
119.05007	2.4
121.02948	4.9
127.00372	3.4
130.99860	1.9
133.02957	5.2
134.03729	5.0
135.04532	65.5
136.04849	4.1
137.02429	3.9
137.06053	1.2
139.00368	4.0
146.03729	1.5
147.04422	1.3
149.00922	1.2
149.06114	1.7
159.04504	1.7
161.02466	14.2
161.04524	1.4
163.04022	6.6
171.10275	2.1
173.02383	1.5
174.02979	1.2
174.25381	1.0
175.04010	1.1
177.05536	1.5
178.02797	1.1
179.03510	51.2
179.07106	1.7
180.03838	2.6
185.11801	1.4
187.03960	1.0
187.81183	1.0
190.79839	0.9
191.03574	4.6
211.13365	1.7
219.02988	19.0
221.04639	1.3
231.02975	3.4
257.12933	1.5
275.01724	1.5
278.65958	0.8
282.05484	1.5
293.03015	30.3
294.03235	2.1
297.07617	2.1
301.11932	1.3
304.46225	1.0
305.24902	1.2
323.25824	1.8
341.27017	4.8
349.23947	1.9
367.24814	6.8
385.25952	100.0
386.26328	11.1
399.27670	4.6
427.27045	3.4
517.26514	36.2
518.26843	5.4
592.28802	1.2
614.28253	1.1
637.42316	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	679.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.9
59.01381	44.1
61.74132	1.0
61.98832	5.1
71.01383	22.7
71.05010	1.0
72.99323	2.1
73.02950	10.4
75.00863	1.1
83.01382	3.0
85.02947	9.1
87.00885	6.1
87.04525	4.1
88.48288	0.9
89.02447	8.3
93.03463	1.1
95.01386	2.7
96.96000	1.9
98.20625	2.3
99.00898	2.5
99.04492	1.5
101.02454	18.8
101.06049	1.3
109.02914	2.3
112.98815	6.8
113.02451	9.4
117.03490	1.0
119.03445	4.2
119.05025	4.4
119.99746	0.8
123.04502	1.4
125.02424	1.2
127.00286	1.0
129.60680	0.8
130.99805	0.9
133.02933	1.0
135.04535	25.9
136.04817	1.4
137.02457	2.3
139.17650	1.0
145.02936	2.5
147.04630	0.9
149.00887	2.7
151.04076	1.2
152.01158	1.2
161.02466	4.3
161.04558	3.5
161.05849	0.9
163.04001	2.6
177.01953	0.9
177.05492	1.1
179.03496	20.9
179.10793	2.5
180.03888	0.9
188.50801	0.9
191.03497	1.0
193.08650	1.0
213.42899	0.9
219.03015	2.5
223.09674	1.2
251.16510	1.2
263.12827	0.9
293.03003	4.1
297.07642	1.6
300.57809	0.9
327.21555	0.9
341.08737	4.6
352.96158	0.8
365.08652	1.0
385.15002	3.7
385.22220	1.4
387.23810	1.4
409.07581	2.6
413.21844	2.6
431.22824	7.5
473.23907	100.0
474.24222	11.2
497.23969	1.9
517.15662	2.2
635.32764	1.8
644.51331	0.9
679.34137	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.2
59.01379	20.9
59.03749	0.9
61.98834	11.0
68.99836	1.4
71.01380	8.5
71.05046	1.2
72.99310	5.0
73.02945	4.0
74.13397	1.1
83.01365	2.1
84.99321	2.0
85.02972	3.9
87.00887	8.0
88.98795	1.7
89.02453	4.1
93.03461	1.1
97.02953	1.2
99.00871	2.4
101.02435	3.6
103.00374	2.3
105.03474	1.5
107.05029	1.5
108.02180	2.9
109.02959	4.1
111.00895	1.7
112.98820	24.6
113.02441	2.7
116.01464	1.0
116.92896	3.7
117.03516	1.2
119.05037	9.9
120.01231	1.1
121.02940	6.2
122.06049	1.2
123.00907	1.5
123.04512	2.0
124.01671	4.1
125.02456	2.2
130.99852	2.0
133.02994	1.6
133.05083	1.1
134.03745	16.0
135.04526	18.8
137.00127	1.2
137.02438	3.9
138.03232	1.3
139.04022	2.8
143.03458	1.5
145.02957	4.8
147.04517	4.3
147.08205	1.6
148.05292	7.2
149.00920	5.4
149.02444	2.7
149.06076	4.4
150.03232	28.9
151.04001	5.2
152.01117	1.2
159.04474	1.7
160.01691	2.1
161.02428	4.5
161.05956	1.2
162.03268	1.7
163.03986	8.4
164.04707	2.0
165.05582	14.9
167.03503	2.6
173.06067	1.7
175.04054	3.7
177.01723	1.0
177.05632	2.2
177.09227	18.0
178.02708	1.9
178.09497	1.9
179.03514	6.6
180.99657	3.4
182.00284	1.2
187.07649	3.4
188.08490	2.0
189.09229	17.5
190.09563	2.2
190.90176	1.0
191.07112	1.1
193.05074	6.0
195.01218	2.6
196.01637	1.3
203.03494	3.7
203.10782	65.1
204.11140	4.3
205.05035	2.4
209.11780	1.2
215.03525	1.4
215.10764	2.1
219.03014	2.2
233.04457	5.9
267.06757	1.6
271.06049	2.7
277.03522	3.2
286.08411	5.0
293.03024	2.4
296.06866	1.1
297.07709	2.5
307.04608	10.8
322.12082	1.3
325.10785	1.4
338.11520	1.8
339.12076	2.8
340.12985	6.0
353.10406	2.5
355.15506	100.0
356.15826	13.2
372.10663	1.0
373.25668	1.2
383.11478	1.5
385.12033	1.8
385.22375	4.7
387.12833	2.0
388.12946	5.9
395.11349	1.9
413.12677	1.4
485.12808	1.1
510.17142	1.1
517.20758	70.3
518.21045	10.3
547.31207	2.2
579.06592	1.1
592.19116	7.8
593.19135	1.2
619.37427	1.3
679.25183	10.5
679.36810	1.7
680.26868	3.2
684.99750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64858	0.9
53.76946	0.9
57.03460	7.0
58.00591	1.8
59.01382	58.3
61.98827	2.8
66.52334	0.8
69.03438	2.1
71.01385	24.9
72.01709	1.2
72.99313	4.8
73.02954	13.0
75.00861	0.9
76.12664	1.1
83.01396	5.2
83.05031	4.5
85.02949	11.5
87.00875	14.7
87.04503	2.3
89.02450	17.5
93.03474	1.3
95.01372	2.1
97.02956	2.4
98.20654	2.3
99.00880	2.0
101.02441	18.9
103.00400	2.8
103.03999	2.3
109.02957	1.7
111.00849	1.2
112.98816	4.1
113.02447	11.3
117.05601	2.7
119.03506	7.6
119.05021	2.2
129.05563	1.5
130.99873	2.8
131.03485	1.4
133.02934	1.8
135.04544	8.5
135.06644	12.0
135.11790	1.0
137.02446	1.4
138.57109	1.0
143.03477	2.0
145.02917	3.1
149.00909	14.7
149.02092	1.7
149.04526	1.2
150.05615	1.3
152.01115	1.3
161.02388	1.8
161.04588	6.4
161.05786	1.3
161.09740	2.6
161.13382	1.4
163.03973	2.2
163.11276	2.9
165.02003	1.6
167.03363	1.3
175.02539	1.2
175.03983	2.3
177.01955	1.7
177.05588	2.3
179.03493	4.6
179.05624	3.1
179.14268	1.2
179.64426	1.0
180.04150	1.6
193.05014	1.0
201.07660	3.5
205.12325	5.8
207.10245	12.0
223.13380	10.2
258.56683	1.0
267.12512	1.1
279.10828	19.9
280.11285	1.6
285.04123	2.5
297.11896	28.2
335.08624	1.3
335.12418	5.0
339.12918	14.7
340.13397	1.2
367.10025	1.1
386.77994	1.1
483.15494	2.0
517.19916	1.2
529.23059	2.5
547.23962	100.0
548.24231	13.7
679.24335	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	679.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
57.03450	7.1
58.00589	1.0
59.01379	54.9
61.98828	2.8
63.39728	1.0
69.03443	1.1
69.35522	5.7
69.35939	2.9
71.01377	22.5
72.99318	3.1
73.02954	10.9
75.00861	1.5
81.03474	1.1
83.01397	3.3
83.05037	2.4
85.02946	7.5
87.00875	17.8
89.02443	16.9
90.02765	1.1
93.03418	0.9
95.01391	1.9
96.96011	1.2
99.00877	1.6
99.04513	3.2
101.02441	14.8
103.00322	1.5
103.03989	1.1
107.05072	1.0
109.02993	1.6
109.06603	0.9
112.24801	0.9
112.98799	2.1
113.02457	10.3
117.05534	2.1
119.03528	6.6
119.05035	4.5
121.02965	0.9
122.06164	5.1
122.06947	0.9
123.04525	1.3
123.49658	0.9
124.04047	0.9
129.97607	1.0
130.99818	1.1
133.02895	1.2
135.04532	13.3
135.06628	11.7
136.04044	2.0
136.07687	4.2
138.05704	1.4
143.03510	2.5
149.00925	7.0
149.04536	1.5
149.06125	1.6
150.05630	4.8
152.01122	1.0
153.38969	0.9
159.03082	1.2
161.02437	4.2
161.04552	5.5
161.09718	1.8
161.13326	1.9
163.03995	4.3
163.11302	3.0
177.05475	1.1
179.03482	11.3
179.05655	3.8
179.10898	0.9
186.09233	1.3
187.11307	2.5
201.07840	2.3
202.12231	1.3
205.12329	7.5
207.10262	8.9
214.07364	1.1
219.02933	1.0
223.13419	8.5
224.13637	1.0
228.10356	1.2
229.09715	5.5
230.11940	2.6
245.09247	2.8
249.11269	2.0
255.11357	2.3
257.09253	3.3
273.12451	7.7
275.10269	1.3
279.10825	14.8
297.11914	22.1
298.12234	1.2
317.11423	6.9
335.12463	40.3
336.12866	5.4
339.12952	13.3
340.13156	1.1
349.13916	1.8
457.13486	2.9
485.23727	1.2
503.24335	1.2
529.23285	1.7
547.23950	100.0
548.24310	13.5
679.24487	13.8
680.24768	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	679.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
56.89151	1.5
57.03447	12.9
59.01381	83.1
63.52272	1.5
63.92497	1.6
69.03465	2.3
71.01382	34.6
72.99317	4.3
73.02949	17.6
75.00883	2.1
81.03484	2.5
83.01389	3.9
83.05040	4.2
85.02953	11.7
87.00877	31.1
87.04527	3.6
89.02432	22.7
95.01354	2.8
98.19897	3.3
99.04562	3.1
101.02443	26.9
103.00362	6.2
103.04031	1.8
109.06596	2.1
112.98800	8.9
113.02460	13.0
117.05548	3.9
119.03524	9.8
119.05016	5.4
123.04500	2.4
130.99875	3.0
131.03468	1.9
135.04538	12.9
135.05618	2.2
135.06631	20.1
143.03522	2.9
149.00908	6.5
149.02359	2.5
149.04544	1.8
159.06718	1.7
161.02454	3.4
161.04575	7.5
163.04013	6.0
163.11247	4.6
179.03494	7.7
179.05626	5.7
186.63486	1.9
201.07697	3.9
203.03467	2.1
205.12331	12.3
207.10271	16.2
208.10513	2.1
219.02988	4.3
223.06166	4.7
223.13409	12.0
279.07919	3.5
279.10840	40.6
280.11255	2.2
293.03033	5.6
297.11914	52.9
298.12338	2.6
323.30399	1.6
331.09198	1.8
335.12473	3.6
339.12936	30.4
340.13312	2.4
485.23758	2.5
503.24808	2.5
517.12494	2.8
547.24011	100.0
548.24438	15.3
649.46033	1.7
679.24615	21.0
680.24768	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61214	0.8
56.07920	0.8
57.03448	6.1
57.05237	0.8
58.00581	1.2
59.01382	59.7
60.01741	0.8
61.98842	4.0
62.49226	0.8
69.03462	1.2
71.01384	26.8
71.01762	1.6
71.13391	0.9
71.61785	0.9
72.99316	3.9
73.02952	14.4
75.00884	1.7
79.29088	0.7
81.03458	1.4
83.01369	4.1
83.05038	5.0
85.02968	8.0
87.00880	17.3
88.98793	2.4
89.02445	16.3
95.01402	2.7
97.02980	1.5
99.00866	2.1
99.04536	3.5
101.02451	22.9
103.00390	0.8
109.02959	2.7
112.42663	0.8
112.98793	4.5
113.02441	12.6
115.03983	0.9
117.05522	1.5
119.03500	8.4
119.05046	3.1
119.69893	0.9
121.02945	1.2
122.06149	1.2
123.00869	1.1
123.04540	1.2
125.02402	2.1
128.03558	1.1
130.99887	1.2
133.02966	2.1
134.03731	1.6
135.04526	23.2
135.06633	11.2
136.04865	1.5
137.02464	1.6
138.01848	0.9
143.03476	2.2
145.02991	1.2
145.10199	1.0
149.00912	10.2
149.04582	2.0
149.06075	2.8
150.03209	1.2
151.00351	0.9
151.04019	1.9
152.01074	1.5
159.08163	1.3
160.01662	1.0
161.02429	3.8
161.04601	4.4
161.05910	1.2
161.09731	1.6
161.13354	1.3
162.03247	1.5
163.03973	2.6
163.11304	3.2
175.04047	2.7
177.05591	3.2
179.03499	14.8
179.05540	5.3
189.05627	1.3
190.02831	1.2
193.05043	1.7
201.07736	3.0
203.03481	1.7
205.05099	1.3
205.12273	5.8
207.06621	1.5
207.10248	9.5
216.70578	0.9
219.02994	1.2
221.04512	2.6
223.13361	6.3
249.11436	1.7
267.12360	1.3
279.10852	13.9
297.11923	16.2
311.07727	2.7
313.11838	1.8
323.07452	1.3
325.54172	0.9
339.12946	10.5
341.08813	3.4
367.10211	2.4
385.22690	1.0
387.14185	0.9
422.21942	0.9
503.14041	2.3
503.24997	6.7
504.25433	1.1
517.13483	2.8
529.22888	2.1
547.23969	100.0
548.24341	15.4
679.25000	7.9
680.25354	1.8
705.09534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.0
61.98828	4.3
65.00305	0.7
68.99821	2.8
71.01380	4.2
71.05579	0.6
72.99312	10.2
73.02956	1.6
83.05010	0.8
84.65504	0.6
84.99310	7.4
85.02959	1.7
86.04577	0.6
87.00877	10.6
88.98814	1.1
89.02464	1.7
89.03944	0.7
93.03466	1.0
99.00851	1.1
101.02456	1.8
103.00359	1.1
108.02182	1.1
109.02957	0.9
111.00854	1.7
112.98814	100.0
113.99163	1.7
116.92833	0.7
117.03459	2.1
119.05009	4.5
121.02985	2.3
125.02458	1.1
127.00370	5.0
130.99840	1.2
132.02197	3.1
133.02943	2.1
134.03743	37.5
135.04562	6.8
136.01695	1.1
137.02429	3.8
139.00407	0.8
139.04027	0.8
145.02969	3.2
146.03764	0.9
147.04503	3.1
148.05272	0.9
149.00938	1.8
149.06076	11.5
150.03258	1.5
151.04013	2.0
154.99854	1.1
157.97951	0.6
158.03749	0.6
159.04529	1.8
160.01659	13.3
161.02434	6.8
161.04550	0.7
161.06062	1.0
162.03206	10.6
163.04004	3.7
165.05565	1.1
173.02402	1.2
174.03252	1.0
175.04012	15.3
176.04729	3.1
177.05525	4.1
178.02698	6.5
179.03468	2.9
185.02374	1.1
186.03238	1.3
190.02682	5.7
191.03377	0.9
191.07185	4.4
193.05060	24.6
194.05486	1.1
196.07927	0.6
201.02011	0.8
201.05597	1.6
202.02737	4.8
203.01779	0.6
203.03517	2.5
204.04326	0.8
205.05031	6.7
206.05423	0.9
207.06641	0.8
211.07304	0.6
214.02766	0.9
218.02205	1.9
219.03072	0.9
219.06633	1.5
230.02180	2.8
231.02916	0.7
233.04523	35.9
234.04921	1.6
235.05965	3.1
237.05598	0.9
239.07069	0.7
245.04497	4.5
249.05424	0.9
250.01199	0.7
250.06418	1.5
251.07211	2.5
263.07294	1.9
265.05121	0.7
267.06552	3.7
277.03381	1.5
279.06567	2.9
282.09012	1.9
289.03452	5.7
291.06668	0.7
293.02914	0.8
293.08139	1.3
294.05417	1.2
294.08807	1.6
295.06131	1.3
297.11194	1.0
307.04581	51.2
308.04715	3.8
309.07910	0.9
321.07742	1.4
322.08417	0.9
323.05624	2.6
323.09064	1.0
324.09976	1.3
326.08057	1.7
335.09256	1.2
337.07230	1.7
338.07904	2.2
339.12479	0.7
341.10303	4.0
353.06369	1.1
353.10333	9.4
354.10519	0.8
355.15665	1.0
364.09750	0.7
365.06775	2.4
371.11429	1.8
380.08572	0.9
383.11371	5.7
385.26218	0.9
395.11337	8.2
411.10916	2.4
413.12750	1.0
423.10504	1.0
467.09927	1.8
584.66937	0.7
619.38159	0.9
665.93201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66023	0.9
59.01382	10.3
61.98827	1.2
62.56196	1.1
70.97623	1.0
71.01385	6.2
72.99305	2.1
85.02924	1.2
87.00880	8.7
88.98856	1.0
89.02438	2.6
93.03399	1.3
101.02444	2.3
103.00387	1.6
106.04235	1.6
107.05045	5.9
112.27041	1.0
112.98799	2.7
113.02424	1.5
117.03474	15.6
119.05028	55.6
120.05341	3.0
125.02509	1.0
130.04272	1.4
130.99849	2.0
131.04996	6.1
133.06598	12.6
134.03709	1.9
135.04501	5.6
145.02928	2.5
147.11696	1.0
149.00899	6.6
149.06087	10.8
156.48338	0.9
158.03719	3.6
159.04526	25.5
161.02373	1.2
161.06110	2.5
163.04005	81.2
164.04401	2.4
177.05576	21.5
178.05852	1.0
179.03484	16.3
191.07124	1.5
203.03491	100.0
204.03885	5.5
205.05029	1.8
221.04553	26.2
222.04843	1.3
223.13412	1.2
258.15347	1.0
261.20065	1.0
263.64288	1.0
279.10690	1.4
295.08170	1.4
299.05576	1.4
325.09329	17.3
339.12823	1.6
408.21838	1.2
455.41754	1.3
457.09674	3.0
497.99448	1.1
503.11896	1.7
535.23743	1.3
547.14679	21.8
547.23798	4.1
548.15167	2.1
575.25842	1.7
635.15411	1.0
647.36523	1.1
651.44550	1.2
679.15295	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88699	3.4
52.92187	4.9
57.03446	7.9
59.01378	100.0
60.01728	5.1
61.98823	16.3
71.01375	21.1
71.61408	5.4
73.02933	5.8
78.95921	14.3
83.01385	4.1
85.02946	9.4
87.00868	5.9
89.02452	11.1
91.22326	3.8
97.02986	4.1
97.06602	9.9
101.02454	14.1
105.24000	3.9
108.26147	4.1
113.02444	9.2
119.03481	6.0
125.02463	5.4
152.99545	11.5
165.12852	12.8
165.47340	3.4
179.10709	4.9
181.12386	14.7
191.10725	6.8
209.11804	51.2
211.13400	5.2
241.01097	4.9
245.19106	11.0
277.21759	32.4
278.21994	16.9
279.22473	11.9
289.18091	15.3
307.19113	35.6
397.13385	10.6
398.13730	11.5
399.13989	17.5
400.26001	3.8
415.14584	5.7
417.15112	7.0
445.92035	4.3
447.98950	3.6
593.27429	17.8
599.58929	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	677.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
58.02972	0.3
59.01382	2.3
61.98830	0.6
62.92068	0.1
68.56918	0.1
69.03455	0.1
69.54769	0.1
70.02972	0.1
71.01401	1.0
71.62272	0.2
72.99300	0.2
73.02948	0.4
80.05085	0.2
81.03461	7.4
83.01405	0.3
83.05028	19.9
84.05361	0.4
85.02953	0.3
87.00883	1.0
89.02441	0.6
93.03494	0.2
95.01392	0.1
96.96004	0.2
99.00894	0.3
100.07707	0.4
101.02441	0.6
103.00388	0.2
107.05032	0.2
107.06157	0.4
108.02139	0.2
108.04552	0.6
109.02944	0.4
111.00900	0.4
112.98808	1.1
113.02473	0.3
115.00334	0.1
119.05041	0.7
120.01260	0.2
121.02959	0.2
121.10174	0.1
123.04540	0.2
125.02467	0.2
125.07218	1.2
126.05605	0.5
133.02982	0.2
133.05058	0.4
134.03709	0.2
135.04541	1.2
137.02466	0.3
143.08264	0.6
145.03014	0.2
147.04523	0.4
148.05283	0.2
149.00920	0.5
149.04614	0.2
149.06071	0.6
152.01103	0.2
152.69281	0.1
157.26845	0.1
160.01736	0.1
161.02425	0.4
161.04572	0.2
161.06052	0.2
161.13409	0.1
163.04022	0.7
175.03976	0.6
179.03447	0.4
179.20416	0.1
189.05540	0.4
191.03610	0.2
191.06993	0.2
193.05070	0.2
199.18314	0.1
207.14998	1.5
208.15378	0.2
217.04968	0.3
219.03067	0.4
221.04482	0.2
222.16090	0.1
224.17691	2.9
225.16081	13.1
226.16389	0.8
235.06029	0.2
237.03987	0.1
242.18675	0.9
268.16684	0.2
290.22470	0.3
291.20599	0.2
293.02982	0.2
295.08075	0.1
309.21741	0.8
324.26614	0.7
333.22937	1.1
339.07184	1.9
340.07489	0.2
341.29172	1.0
351.24133	0.2
367.27100	1.1
385.28192	0.2
407.33981	0.2
431.17422	0.2
433.31839	1.3
434.31815	0.2
445.93686	0.1
450.34567	1.7
451.32916	6.3
452.33209	0.7
468.35547	0.2
471.22452	0.4
515.28522	0.2
533.40387	0.2
545.23126	0.2
550.43121	0.8
559.39172	0.3
565.44434	0.4
581.11932	0.1
593.43549	0.7
594.43640	0.2
659.48688	1.1
660.48950	0.2
677.49670	100.0
678.49982	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	677.4268
Annotation	Kahiricoside III
Peak:m/z	Relative Intensity
55.01876	0.3
57.03444	0.2
59.01380	100.0
60.01712	0.9
61.98835	0.4
66.51717	0.1
69.18392	0.1
69.57431	0.7
71.01384	2.1
73.02943	0.8
83.01398	0.4
85.02956	1.0
87.00876	0.2
89.02454	0.3
95.01401	0.2
96.95953	0.1
99.00872	0.2
101.02460	1.2
112.98827	0.3
113.02466	0.9
121.02994	0.2
121.06512	0.1
137.50319	0.1
143.03526	0.1
153.96606	0.1
159.03003	0.2
161.04607	0.8
167.03612	0.1
170.42719	0.1
179.03474	0.2
275.20386	0.1
289.05075	0.1
291.23401	0.4
428.23706	0.2
435.27539	0.9
453.28503	0.8
455.24307	0.1
473.36783	0.5
495.29773	0.2
617.40582	1.2
618.40875	0.2
635.41809	0.7
636.42950	0.1
677.42920	0.6
678.43298	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01378	100.0
59.38742	0.7
60.01699	0.7
61.98831	2.7
71.01377	1.6
71.61700	0.5
75.51208	0.6
78.95909	4.2
80.96508	1.8
96.96976	0.8
98.23683	0.7
101.02491	1.1
109.06615	0.9
115.92120	1.5
116.92893	1.6
141.49507	0.7
152.99579	5.4
185.56039	0.6
241.01173	1.1
279.23267	5.0
280.86002	0.7
282.19998	0.7
397.13568	1.6
523.36261	0.7
541.36700	0.7
577.27173	1.4
595.28888	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	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79446	0.2
55.01879	1.6
57.03456	1.3
58.00600	2.0
59.01380	41.4
68.99808	0.5
69.03461	2.1
71.01382	35.8
72.01713	0.6
72.99306	3.3
73.02946	5.8
75.00868	0.8
76.35979	0.2
81.03458	2.1
83.01392	4.2
83.05008	0.4
85.02951	7.1
86.00110	0.2
87.00872	8.9
87.04537	0.4
89.02443	32.9
90.02801	0.3
90.21295	0.2
91.04002	0.9
93.03456	0.5
95.01376	2.7
96.28198	0.2
97.02950	5.7
98.03275	0.3
98.20658	0.3
99.00879	2.5
99.04488	0.5
101.02440	28.7
102.02795	0.4
103.00372	0.3
103.04019	0.3
109.02966	0.7
111.00954	0.3
111.04527	1.2
112.01609	0.2
113.02448	13.8
114.02804	0.2
115.04016	0.7
119.03505	9.6
121.02966	0.9
123.00866	0.4
124.01646	0.4
125.02444	12.9
126.02769	0.4
127.04011	0.5
129.01930	0.4
131.03487	1.4
133.05066	1.1
137.02400	0.5
139.04002	1.1
141.01930	0.5
143.03499	5.6
148.21013	0.3
149.02448	0.2
149.04584	1.0
151.03941	0.3
157.24960	0.3
158.68785	0.2
161.04552	6.5
162.04968	0.4
163.03975	0.4
165.85376	0.2
167.03444	0.7
169.05064	0.4
179.05600	5.9
180.05940	0.3
185.04523	0.7
199.06146	0.7
203.05663	0.3
217.07156	0.9
217.94162	0.2
219.05051	0.4
221.06642	2.3
234.98097	0.2
235.08211	14.1
236.08467	0.5
245.06606	0.9
253.09271	3.1
261.22226	0.6
263.07730	1.6
277.09314	1.1
279.23264	100.0
280.23602	10.1
287.07669	3.4
293.24927	0.5
305.08755	4.2
323.09683	1.4
345.73444	0.2
361.11258	0.6
379.12357	1.0
397.13467	76.5
398.13800	6.6
398.19095	0.3
415.14542	31.1
416.14835	2.2
642.79694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11953	0.2
55.01884	1.5
57.03458	1.3
58.00600	2.0
58.85628	0.2
59.01383	45.2
60.01726	0.3
68.99822	0.5
69.03458	2.0
71.01385	35.6
72.01722	0.5
72.99310	2.5
73.02952	5.6
75.00883	0.7
81.03447	1.6
83.01395	4.4
83.05028	0.3
85.02956	8.5
86.00125	0.6
87.00878	9.5
89.02448	33.2
90.02782	0.5
91.04016	0.6
93.03493	0.3
95.01392	2.8
95.05037	0.5
97.02959	6.8
99.00877	2.4
99.04520	0.5
101.02451	30.7
102.02797	0.5
102.96103	0.2
103.04022	0.4
109.02956	0.6
111.00902	0.6
111.04528	0.9
113.02457	14.4
114.02809	0.4
115.04030	0.7
119.03506	9.2
120.03835	0.3
120.81787	0.3
121.02972	0.5
123.00835	0.3
123.04560	0.5
124.01656	0.4
125.02449	13.1
126.02804	0.4
127.04015	0.5
131.03491	2.0
133.05089	0.7
139.04015	0.9
141.01985	0.9
143.03519	6.8
144.03824	0.4
149.04568	1.3
157.05083	0.3
158.99773	0.3
161.04572	7.4
164.94545	0.3
167.03525	0.9
179.05611	7.2
180.05981	0.3
181.05026	0.3
185.04561	0.7
188.78789	0.2
199.06187	0.5
203.05684	0.5
212.22585	0.2
217.07199	0.9
219.05051	0.5
221.06677	2.8
222.06946	0.3
235.08229	13.6
236.08574	0.9
245.06685	1.1
253.09314	3.9
261.22180	0.6
263.07776	1.5
274.23700	0.3
277.09381	1.2
279.23294	100.0
280.23651	9.2
284.24866	0.3
287.07755	3.3
293.24777	0.4
305.08777	3.4
323.09872	1.9
361.11523	0.7
379.12598	0.9
388.44525	0.3
397.13513	75.6
398.13821	6.1
415.14587	33.0
416.14984	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	675.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45543	0.3
59.01381	100.0
60.01710	0.8
61.98829	1.0
64.76253	0.3
70.27323	0.3
71.62364	0.5
78.95918	1.0
107.14485	0.4
114.09170	0.4
149.44980	0.4
152.99570	0.5
162.63835	0.4
225.11325	0.4
277.21741	1.2
287.58469	0.4
293.21570	0.5
309.20743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18044	0.3
59.01380	6.1
61.98814	0.9
64.09710	0.3
70.75687	0.7
70.76085	0.7
71.01384	1.9
72.99328	0.5
73.02956	1.0
83.01393	0.4
85.02961	0.5
87.00884	1.4
89.02460	1.0
90.59178	0.3
92.33505	0.3
99.00903	0.6
99.04523	0.3
101.02438	1.2
103.00376	0.5
109.08457	0.3
112.98806	1.8
113.02481	0.9
116.92838	0.6
119.05004	2.0
133.05112	0.5
134.03818	0.4
135.04539	1.5
145.02936	0.5
147.04547	0.4
149.00940	1.0
151.00287	0.5
163.04019	1.7
172.68127	0.3
175.03998	0.5
177.01775	0.3
179.03531	1.1
183.04584	0.6
187.37984	0.4
193.05176	0.6
195.04491	2.3
210.06897	0.6
211.03964	2.2
214.86295	0.3
223.04048	1.1
223.13246	0.4
239.03497	17.8
240.03853	1.0
253.05029	0.4
254.05846	13.8
255.06186	0.6
267.02948	5.9
267.12265	1.1
268.03470	0.9
278.35883	0.3
281.04654	0.5
282.05328	61.3
283.05740	7.2
297.07669	100.0
298.07996	10.2
300.02530	0.4
307.36810	0.3
313.15125	0.3
339.08810	1.3
355.12964	0.6
383.10974	0.7
515.28577	0.6
591.17029	2.3
633.18298	6.6
633.29077	0.7
634.18945	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29557	5.8
57.44680	5.3
57.65023	4.8
59.01377	17.8
66.36690	5.5
71.01393	18.1
71.60182	6.6
80.27475	5.1
87.00883	6.9
89.02448	9.4
89.03562	21.1
96.96004	8.7
101.02436	12.7
109.02966	48.8
113.02419	7.5
119.03516	8.9
132.04161	17.6
135.03593	9.2
135.04529	100.0
136.04744	6.4
149.00974	6.6
149.06088	60.6
161.06081	27.9
163.04034	7.0
165.05299	5.2
171.04518	11.3
173.06113	6.9
174.03218	5.7
175.04747	6.5
175.06161	7.7
177.05609	15.4
179.03482	12.9
189.05576	92.1
191.07162	7.1
207.06644	66.8
221.04601	29.1
231.06615	11.7
235.06122	19.0
239.05649	7.0
249.07790	8.5
251.05818	5.6
297.09845	7.6
308.71649	6.4
311.07742	36.6
311.10956	8.4
323.13498	50.5
326.51953	6.6
339.07147	9.7
369.12033	10.0
383.09894	11.2
386.18839	6.8
401.10699	17.1
413.10895	64.7
414.11600	6.4
415.12494	7.7
443.11652	15.7
454.92096	5.3
473.13101	38.7
619.34137	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	675.4114
Annotation	Rubianoside I
Peak:m/z	Relative Intensity
57.03435	2.4
59.01380	100.0
60.01725	2.3
61.98824	7.8
71.01381	15.9
72.99309	2.6
73.02945	6.5
83.01382	2.0
85.02951	6.0
87.00880	6.5
95.01383	2.3
96.96001	4.6
97.11004	1.7
101.01859	1.8
101.02411	8.9
112.98779	3.8
113.02441	5.6
121.02959	3.9
127.63036	1.8
135.04523	4.8
137.02368	2.4
149.00911	2.5
151.04063	2.0
161.04501	3.8
179.03392	4.2
183.13971	9.9
184.14174	3.8
191.03430	1.8
197.11797	2.2
211.13313	2.5
247.54887	1.8
253.97342	1.9
453.33728	2.8
471.34680	2.6
615.39087	14.1
633.39978	8.3
675.42053	24.4
676.41455	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	675.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.8
59.01385	100.0
61.91400	1.0
61.98836	7.4
70.46489	0.8
70.85323	2.0
70.85664	1.6
71.01379	0.9
78.95917	3.1
145.27010	0.8
152.99619	2.6
171.10315	1.0
277.21701	4.0
291.19675	2.5
309.20840	6.5
556.03760	1.1
633.42316	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	675.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.7
57.03444	1.1
58.00599	2.6
59.01381	52.7
59.04914	0.2
60.01706	0.7
67.01892	0.2
68.99815	0.6
69.03458	2.7
69.80301	0.8
71.01382	43.6
72.01714	0.7
72.99308	3.1
73.02949	7.4
75.00876	1.1
79.01929	0.2
81.03455	2.1
81.08165	0.2
83.01389	4.9
83.05027	0.6
84.02168	0.3
85.02953	9.9
86.00107	0.5
86.03278	0.2
87.00875	11.3
87.04502	0.6
88.01220	0.2
89.02445	39.5
90.02782	0.7
91.04004	1.2
93.03468	0.5
95.01390	3.1
95.05010	0.4
97.02953	7.1
97.06592	0.1
99.00877	2.9
99.04508	0.8
101.02444	36.3
102.02792	0.7
103.00397	0.2
103.04008	0.4
107.03494	0.2
109.02939	0.8
111.00869	0.7
111.04515	1.2
112.01691	0.3
113.02451	18.1
114.02786	0.4
115.04021	0.8
119.03500	12.8
120.03845	0.3
121.02959	0.8
123.00893	0.4
123.04494	0.4
124.01707	0.4
125.02448	15.5
126.02787	0.4
127.04004	0.5
127.07635	0.3
129.01918	0.4
131.03517	2.1
133.05025	1.1
137.02422	0.4
139.04012	1.1
141.01944	0.8
141.05548	0.2
142.02705	0.2
143.03499	8.2
149.02472	0.3
149.04535	1.2
151.04010	0.2
155.03490	0.2
156.48351	0.1
157.05034	0.4
158.58307	0.1
161.04558	9.0
162.04922	0.3
167.03506	1.1
169.04999	0.4
171.02946	0.3
179.05614	8.4
180.05954	0.2
181.05066	0.2
185.04562	0.8
199.06129	0.6
203.05646	0.4
205.19661	0.3
217.07167	1.4
219.04982	0.7
221.06671	3.2
233.22691	0.4
235.08215	16.8
236.08542	0.7
245.06613	1.1
253.09245	4.0
254.09412	0.3
259.08160	0.2
259.20645	0.7
263.07697	2.1
275.20190	0.4
277.09650	1.2
277.21707	100.0
278.22067	10.3
287.07715	3.5
288.08060	0.2
291.23181	0.6
305.08777	4.3
306.09088	0.3
309.82095	0.2
323.09787	2.0
361.11331	0.6
379.12378	1.4
397.13489	82.9
398.13852	7.5
415.14557	36.2
416.14868	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	675.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96029	0.7
57.03436	1.5
59.01381	53.0
61.98829	15.4
69.03442	0.9
69.35075	1.6
69.35481	5.0
71.01383	18.7
72.99303	2.9
73.02954	9.0
83.01392	4.3
85.02956	4.4
87.00883	15.8
89.02442	7.5
89.08099	0.8
95.01389	2.2
97.02962	1.3
97.06583	0.7
99.00883	2.4
101.02441	9.9
103.00392	4.1
112.98814	5.7
113.02451	7.0
119.03516	2.3
119.05039	0.9
121.02959	3.0
125.02452	1.6
130.99863	1.4
133.02950	1.7
135.04510	3.7
137.02484	1.6
143.03467	1.1
149.00891	2.2
149.04547	1.0
150.01408	0.8
161.02420	0.8
161.04541	1.1
163.11301	1.3
165.12871	1.3
171.10268	23.1
179.03526	2.3
181.12363	1.9
183.13918	8.3
197.11923	0.8
201.05571	1.2
207.10210	5.1
209.11754	1.0
219.02870	0.8
223.13371	0.8
223.17163	1.2
225.11328	11.6
226.11699	1.1
227.12869	5.3
253.09351	1.3
277.21741	6.8
295.22748	3.5
345.06726	0.8
364.22903	0.8
421.16956	2.6
431.07901	0.9
439.21844	0.9
439.26852	4.4
457.28006	16.2
458.28357	1.6
461.20282	3.2
499.29123	100.0
500.29465	14.3
556.11578	0.8
589.28802	1.4
615.30237	4.9
615.39453	2.2
616.31012	1.1
631.29529	5.7
632.80603	0.9
657.34167	1.1
675.41974	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	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03447	1.6
58.00595	2.7
59.01379	53.2
60.01713	0.5
61.98824	0.3
67.01888	0.3
68.99831	0.6
69.03458	3.0
71.01381	45.9
72.01732	0.6
72.99307	3.8
73.02945	8.3
75.00895	1.2
77.71891	0.2
78.95892	0.5
81.03464	2.0
83.01388	5.4
83.01871	0.4
83.05029	0.6
85.02949	9.8
86.00130	0.2
86.03294	0.2
87.00877	10.0
87.04502	0.3
88.01234	0.3
89.02444	37.8
90.02792	0.6
91.04008	1.1
92.83216	0.2
93.03458	0.5
95.01383	3.2
97.02318	0.4
97.02950	7.3
99.00877	2.5
99.04530	0.7
101.02442	37.6
102.02804	0.7
103.00393	0.4
103.04018	0.7
109.02946	0.9
111.00910	0.6
111.04533	1.5
113.02447	18.9
114.02750	0.3
115.03986	0.9
119.03500	12.3
121.02970	1.2
123.00883	0.4
123.04498	0.4
124.01602	0.5
125.02444	15.3
126.02814	0.5
127.04017	0.6
127.07671	0.2
129.01909	0.3
131.03485	1.9
133.05069	1.2
133.68854	0.2
137.02397	0.4
139.03986	1.3
141.01949	0.6
142.02702	0.3
143.03500	7.7
144.03833	0.2
149.02454	0.3
149.04565	1.5
152.99507	0.4
157.05040	0.3
161.04552	8.2
163.03996	0.2
167.03445	0.9
169.05066	0.5
171.03035	0.4
179.05608	7.8
180.05995	0.3
181.05061	0.3
182.89714	0.2
185.04526	0.9
185.06004	0.2
199.06102	0.7
203.05568	0.5
217.07184	1.2
219.05008	0.5
221.06631	2.9
235.08221	16.7
236.08598	0.5
245.06580	0.9
253.09264	4.4
259.20639	0.5
263.07678	1.9
269.06665	0.2
275.20209	0.6
277.09634	1.2
277.21704	100.0
278.22061	8.8
287.07736	4.0
291.23386	0.5
305.08789	4.2
323.09750	2.2
323.64468	0.2
326.42435	0.2
331.97394	0.2
361.11533	0.8
379.12451	1.3
397.13483	84.9
398.13788	6.7
413.35028	0.2
415.14551	36.2
416.14932	3.3
509.69498	0.2
563.90540	0.2
675.35620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57140	1.3
55.01873	2.1
55.42264	1.3
59.01378	100.0
61.98834	6.3
69.03447	3.3
71.01383	37.5
71.62309	2.2
72.99329	4.4
73.02956	9.5
81.03438	2.5
83.01391	3.1
84.12139	1.6
85.02955	10.8
85.91119	1.5
87.00866	9.4
88.04052	2.1
89.02442	44.7
92.42693	1.7
93.03455	1.9
95.01403	1.4
96.96014	2.4
97.02934	2.3
99.00882	11.2
101.02449	14.9
109.02970	3.0
111.00921	2.0
111.04546	3.1
112.98810	5.3
113.02444	21.5
113.83781	1.5
119.03507	4.1
119.05017	13.3
121.02921	1.7
123.04485	2.0
125.02460	6.3
131.03503	11.8
133.02907	1.9
135.04543	15.8
136.04906	1.6
137.02478	3.9
138.01976	4.4
143.03481	5.4
145.02940	3.2
149.00912	5.0
149.04546	31.0
151.04036	2.3
155.03481	6.6
161.02422	2.6
161.04594	4.3
163.04021	6.9
173.04514	2.3
179.03517	6.7
191.05598	3.7
203.05655	19.1
218.10396	2.5
233.06631	3.7
293.03067	1.4
307.08316	3.2
335.09805	5.7
349.09238	2.0
381.09866	5.5
474.12436	1.8
543.31763	4.9
545.25970	20.2
546.26837	3.8
649.31580	1.7
675.32080	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	675.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49264	1.8
55.01861	3.1
57.03444	4.5
58.00585	2.8
59.01377	50.1
60.45845	2.1
61.98829	8.5
63.30099	1.8
69.03468	2.2
71.01382	39.1
72.99313	4.5
73.02934	12.2
75.00873	4.5
76.58641	2.1
80.05047	9.4
83.01370	4.6
85.02950	20.3
87.00880	11.0
89.02448	21.0
90.27054	1.8
92.05094	2.4
93.03462	2.6
94.06615	2.6
95.01394	5.1
96.96033	2.6
97.06651	2.8
99.00882	9.4
99.04524	1.9
101.02442	27.2
103.00402	2.4
104.05043	2.8
106.06616	5.5
107.03786	4.8
108.04535	6.6
109.02979	2.7
112.98775	9.6
113.02459	17.7
113.06067	2.4
119.03537	2.6
119.04975	4.1
120.04618	2.4
120.08180	2.4
121.03008	2.1
121.05365	2.3
122.06115	36.9
123.04517	4.0
124.04076	5.0
125.02429	5.9
131.03519	4.8
131.07156	6.1
132.04582	2.4
133.02966	2.3
134.03784	3.2
134.06122	8.1
135.04512	32.7
136.04041	6.4
137.02478	5.0
137.04849	3.0
138.05598	6.7
139.02821	2.9
143.03514	2.0
145.02866	2.6
147.04497	2.3
147.05605	3.4
147.99661	1.9
148.04041	2.1
149.00900	3.3
149.04550	9.8
150.05629	14.1
152.07162	43.4
153.07410	3.8
158.02480	2.1
160.04041	2.1
161.02440	3.4
161.04587	7.8
162.05574	2.5
163.04047	5.0
165.05518	3.5
167.03496	2.7
171.10251	3.8
174.05595	3.0
175.05203	4.6
179.03513	15.1
186.05562	2.0
190.05161	3.8
195.21494	1.9
201.10365	16.9
207.89272	2.0
213.10405	6.6
217.09927	2.1
223.08765	2.2
227.11867	5.5
229.09824	18.9
229.13443	7.6
237.10446	3.2
238.11046	2.3
239.11836	8.6
241.09857	3.0
243.11639	2.6
245.13026	13.0
253.13507	2.7
255.11409	10.0
257.13004	9.2
264.08926	2.7
265.09665	4.1
266.10800	2.2
267.11374	3.9
273.12518	5.6
279.11346	4.0
285.12473	3.1
289.12030	4.5
295.10849	5.6
297.12634	3.0
301.11896	26.5
307.82898	2.3
309.12598	3.4
313.11844	6.1
319.12970	90.8
320.13315	7.3
323.10400	7.9
324.10284	2.3
327.13422	6.4
330.12350	3.3
341.08670	4.9
344.13840	2.9
346.11957	2.2
355.13013	2.8
360.13776	3.4
372.13217	3.4
374.14847	11.3
381.10001	3.5
391.15485	3.3
392.16354	9.9
400.12692	2.7
416.16223	7.8
434.17084	6.2
445.33023	2.7
500.33197	2.1
513.18225	2.2
539.22772	2.8
541.94122	2.4
543.30035	2.5
557.23938	24.8
558.24670	4.1
569.24512	2.6
575.25439	2.3
581.24152	8.0
599.25128	86.1
600.25604	15.7
602.23395	3.6
625.22729	3.0
631.24152	5.4
631.37274	2.4
643.24066	100.0
644.24506	26.4
666.31525	4.2
675.26910	28.3
675.33966	11.5
675.82739	18.2
676.26917	4.3
688.11407	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01379	12.7
61.98838	2.6
69.64878	1.6
69.65311	1.8
71.01384	8.2
72.99306	1.0
73.02938	3.0
77.07812	0.5
81.03484	0.5
83.01382	1.2
83.05018	0.7
84.38022	0.5
85.02950	3.2
87.00870	1.7
88.98819	0.6
89.02441	5.6
96.96004	1.2
97.02966	0.8
98.19912	0.9
99.00854	0.8
99.04519	15.2
101.02448	5.9
103.00351	0.5
107.05013	0.9
109.06564	0.6
111.04535	1.5
111.08120	0.6
112.98821	1.3
113.02451	5.2
119.03500	1.4
119.05017	1.2
121.02984	1.2
125.02451	1.1
135.04529	10.8
135.08156	1.3
136.04861	1.1
143.03471	0.6
149.00885	1.3
149.04497	0.7
155.03464	0.5
161.02457	0.9
161.04567	2.4
163.04022	0.8
166.04012	0.5
173.11827	0.9
179.03502	7.6
179.05577	1.1
185.13226	0.6
200.67911	0.5
203.05634	0.7
203.14391	11.0
204.14650	1.4
219.03036	0.8
221.15460	36.5
222.15822	2.5
245.15480	0.5
247.13383	1.9
256.11539	0.5
265.14441	100.0
266.14764	8.5
277.03513	0.6
289.14490	1.9
307.15561	3.6
341.08786	2.9
427.19644	6.7
428.20032	1.0
469.20779	14.5
470.21219	2.7
513.26349	1.1
543.35431	0.9
675.33594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.6
58.90475	2.2
59.01381	29.8
61.66882	2.1
61.74297	2.1
61.98828	8.9
62.29816	2.1
71.01383	23.6
71.62313	2.3
73.02950	5.3
75.00861	2.2
83.01397	3.6
85.02952	6.4
87.00882	5.3
87.25842	2.6
89.02434	7.9
97.02991	3.0
99.00871	2.6
101.02466	10.8
111.08139	3.3
112.98797	4.9
113.02399	3.0
115.00343	5.4
133.01364	4.0
133.02966	4.9
135.04541	11.2
147.53140	2.8
149.00975	3.0
150.42757	2.2
161.04608	2.7
163.11299	2.4
165.12862	15.1
171.10249	3.3
178.02652	4.8
179.03528	16.9
183.13898	100.0
184.14244	4.9
184.37714	2.4
189.34271	2.5
199.13277	2.9
201.11299	3.7
202.56038	2.7
207.10213	3.3
209.11829	21.7
211.13295	11.3
225.11205	3.8
227.12883	16.2
234.50331	2.4
253.09248	6.7
275.27139	2.3
409.12885	2.6
411.32904	2.6
445.20581	2.5
463.21802	16.6
553.24701	2.7
613.36987	3.2
614.78186	13.0
615.28558	7.9
629.35187	3.5
655.33893	5.7
673.34082	60.6
674.34241	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	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01384	6.4
61.98829	0.8
62.88389	0.5
65.77684	0.6
69.48278	3.8
71.01387	4.4
72.99322	0.7
73.02966	1.5
78.54769	0.4
83.01385	0.7
83.05025	0.5
85.02950	1.5
86.21514	0.5
87.00888	1.9
89.02438	2.3
95.01434	0.6
98.20596	0.7
101.02428	3.8
109.06622	0.7
111.08165	1.4
111.79991	0.5
112.98816	0.7
113.02439	2.5
119.03535	0.9
119.05049	0.6
121.70335	0.5
133.05119	0.7
134.06122	0.6
135.04565	1.1
138.32376	0.5
145.04994	0.6
149.00926	0.6
161.04567	1.4
163.11250	0.6
165.12848	10.5
166.13239	0.7
171.10223	0.6
179.03493	0.7
183.13896	100.0
184.14209	5.2
198.44342	0.6
199.09740	0.7
203.33148	0.6
207.10115	0.7
209.11795	3.2
211.13440	2.9
222.30608	0.5
225.11308	1.1
227.12926	5.5
235.08238	1.5
253.09265	3.1
301.16760	0.5
313.32678	0.5
394.92770	0.5
445.20816	1.5
463.21863	4.8
511.29031	1.1
587.03333	0.5
629.35254	5.1
630.35217	1.0
655.33398	4.6
656.33905	0.9
673.34344	58.9
674.34650	12.6
674.45392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26110	1.4
50.94859	1.3
51.88562	1.4
57.03454	2.7
57.77982	1.7
58.00581	1.7
59.01379	100.0
61.13374	1.8
61.98835	7.4
68.32083	1.5
69.03460	2.5
69.27762	17.0
70.88109	1.5
71.01382	39.6
72.99311	5.9
73.02946	8.5
75.00914	1.5
75.38510	1.5
81.03461	1.6
83.01387	4.7
83.04993	1.8
83.30502	1.5
84.58846	1.4
85.02954	13.7
87.00883	8.2
88.04003	2.5
88.98836	1.9
89.02439	40.2
95.01369	2.3
96.96021	3.4
97.02955	3.6
97.06590	1.9
98.19852	3.5
99.00866	10.0
99.04520	2.5
101.02442	16.2
103.00386	2.3
108.02164	2.7
109.02946	3.8
111.00884	2.9
111.04518	2.3
112.98846	7.5
113.02441	20.5
115.75089	1.6
119.03509	4.4
119.05012	17.4
121.02988	2.9
121.09718	1.5
123.04561	2.7
125.02480	8.3
131.03525	9.2
133.02960	3.3
134.03781	3.8
135.04529	25.7
137.02422	5.6
138.01961	3.8
138.03073	1.6
143.03493	7.0
145.02936	6.7
149.00890	7.7
149.04559	32.6
151.00391	2.7
152.01143	3.3
155.03482	5.5
159.44861	1.6
161.02464	3.6
161.04601	4.6
163.03996	11.4
165.05585	2.8
175.03981	1.7
179.03462	11.8
179.07065	2.1
191.05580	3.6
203.03677	3.0
203.05608	14.2
204.18875	1.6
218.10358	1.7
219.02852	1.7
233.06503	3.4
270.85287	1.6
307.08139	3.0
335.09946	1.9
348.04254	1.8
357.98914	1.5
381.09882	4.9
471.13092	3.3
481.28064	3.3
535.94904	1.7
543.24384	2.5
543.31580	9.0
544.32074	2.4
545.26147	16.9
546.26416	3.1
558.84131	1.9
675.31683	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	670.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
59.62852	0.8
61.98833	5.8
64.13142	0.7
64.66472	0.7
67.55188	0.7
69.10096	0.7
69.34465	6.8
71.01379	2.5
83.01347	0.8
85.02962	1.0
86.02125	0.6
86.02483	6.1
88.04006	1.3
91.01855	0.9
91.05516	0.9
93.03435	1.0
95.40583	0.7
96.96015	1.7
101.02443	2.1
107.05012	3.0
109.02956	31.9
110.03301	1.4
113.02460	1.6
115.22138	0.7
119.05016	1.4
120.01196	0.7
121.02945	0.9
122.03757	5.8
123.04537	8.0
124.01645	1.9
133.02966	1.3
134.03745	1.8
135.04526	41.7
136.04829	2.4
137.02440	2.0
139.00435	0.9
146.14427	0.7
148.07738	1.2
149.00916	1.2
150.05580	1.7
151.03976	1.6
152.01115	1.8
153.01936	47.2
154.02473	1.5
163.04013	1.2
164.07111	1.7
165.05489	0.7
168.30092	0.7
174.05070	0.9
177.01907	1.8
179.03503	30.8
180.03874	1.9
192.06757	0.8
193.05057	1.1
195.03003	1.2
210.07724	82.6
211.07994	2.5
252.08714	1.1
266.52359	0.9
267.86755	0.8
297.06146	28.4
298.06479	1.9
308.41425	0.7
346.09222	1.8
372.13007	12.4
373.13248	1.7
458.27231	0.8
490.13589	2.0
508.14569	100.0
509.14896	11.7
546.02014	1.0
550.15698	1.8
670.19843	22.9
671.19965	2.6
695.85114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18869	2.4
69.67741	14.8
98.19929	4.4
102.96333	2.2
104.25440	2.3
151.00375	8.4
178.99944	3.0
227.03445	2.6
243.02951	5.2
244.37288	2.4
255.02914	17.4
271.02484	37.6
272.03177	3.1
300.02737	87.2
301.03482	28.4
499.67578	2.5
510.06689	2.3
609.14606	100.0
610.14862	15.9
637.52545	2.6
644.15668	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	673.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17439	0.7
54.85209	0.8
57.03443	1.2
59.01384	16.4
61.98835	5.0
63.02405	1.7
65.00334	2.3
69.03458	1.3
71.01385	6.1
71.05021	1.3
71.62901	1.3
72.99323	1.6
73.02943	3.4
73.13309	0.9
80.91705	1.1
81.03476	1.2
83.01401	2.5
83.05038	4.0
84.34216	0.7
85.02950	2.4
87.00883	4.9
88.98772	0.9
89.02448	3.2
93.03452	1.2
95.01454	0.9
99.00864	0.9
101.02457	4.6
101.06078	3.3
103.00399	0.8
103.82343	0.8
107.01379	6.0
108.02207	2.3
109.02965	3.2
109.06596	1.4
112.98805	4.8
113.02451	3.3
119.03510	1.3
119.05038	2.0
121.02964	5.8
123.04559	0.9
123.66946	0.8
125.02464	1.8
133.42259	0.8
134.03738	1.3
135.00854	1.0
135.04564	3.9
135.08128	1.3
139.03938	0.9
141.01714	1.6
142.05106	1.8
145.03003	0.9
148.01639	1.5
149.00958	2.2
149.02388	1.5
149.04610	1.3
149.06029	0.9
151.00383	20.9
152.00743	1.1
157.32704	0.9
159.04512	0.9
161.02455	2.2
161.04594	1.0
163.00395	4.4
163.03989	1.3
163.11259	2.4
164.01115	1.4
165.01884	1.0
165.05386	1.0
165.12877	1.2
167.03549	0.9
169.01439	1.5
171.10242	1.9
177.05585	0.8
178.99904	10.3
179.03474	1.1
180.58400	0.9
183.04559	1.1
183.13873	1.1
191.10667	0.8
199.04057	1.6
201.05518	2.5
209.11853	71.1
210.12140	3.4
211.13480	1.3
212.09483	0.8
214.98830	0.8
221.08220	3.3
226.02721	2.2
227.03510	4.4
227.07190	1.0
227.12926	9.9
229.05096	1.8
239.03471	0.9
243.02991	10.3
245.04588	2.1
247.13460	1.4
253.09315	4.5
254.02092	1.4
255.02995	28.1
256.03326	2.2
271.02493	54.8
272.03027	4.8
273.03934	3.1
283.02512	5.2
299.02066	5.2
300.02774	71.0
301.03534	100.0
302.03900	7.2
358.17075	1.0
362.19824	0.9
371.17108	0.9
401.23242	1.1
453.32217	1.4
462.08197	1.7
463.08682	2.1
511.16705	1.3
524.23792	0.8
541.30066	4.8
607.29376	4.1
607.79285	1.2
629.22388	1.5
629.39331	1.3
655.19879	4.7
672.39923	1.8
673.21350	64.5
673.39227	5.7
674.21545	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	669.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06900	0.4
56.95495	0.4
57.03445	1.1
57.38693	0.4
59.01381	5.2
61.98801	0.6
69.72903	2.3
72.99311	0.9
73.83957	0.4
78.38935	0.4
82.42825	0.4
84.99310	1.0
87.00883	9.6
87.04498	0.8
96.99286	0.5
98.19865	0.8
100.79028	0.4
103.00377	0.8
109.02982	2.6
112.98811	15.5
113.27479	0.4
116.04197	0.5
121.02894	0.5
123.08176	1.0
127.00394	3.5
130.99867	1.5
133.02974	3.1
134.03748	2.7
135.04529	50.6
136.04851	1.8
137.02461	2.6
139.00386	2.5
141.09195	0.7
141.12881	0.5
147.34993	0.5
149.00932	0.5
149.06099	0.9
157.12334	0.8
159.04517	0.8
161.02429	10.0
163.04008	4.3
169.12329	1.0
173.02332	0.8
175.03967	0.5
177.05649	0.8
179.03500	39.5
180.03885	2.1
185.11850	1.1
191.03494	2.7
205.05090	0.5
219.02974	14.5
220.03296	0.9
231.03032	2.6
274.26517	0.4
275.01984	1.7
293.03049	24.0
294.03442	2.5
329.23373	1.5
357.26688	3.1
373.26001	2.0
374.26398	0.8
375.27502	100.0
376.27869	10.7
389.29044	1.8
417.28641	1.4
489.26834	1.2
507.28122	40.1
508.28452	6.3
669.30658	0.5
686.07922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.3
59.01380	12.7
60.46988	0.6
61.98830	2.1
68.39523	0.6
69.80670	3.3
70.49345	0.5
71.01374	2.2
72.99298	1.2
73.02936	1.4
75.18522	0.6
77.84988	0.5
80.04360	0.6
83.05060	0.8
84.99300	1.4
85.02966	1.1
87.00385	1.0
87.00884	14.2
89.02431	1.0
95.01359	0.7
97.06580	0.9
98.19852	0.7
99.00847	0.6
101.02477	1.0
103.00385	1.8
107.05052	1.0
108.02174	1.4
109.02996	2.8
112.98814	22.3
113.02430	0.9
113.09708	0.8
113.99138	0.8
115.07665	0.9
119.04968	0.9
121.02979	0.9
127.00371	3.4
130.99843	2.4
133.02980	3.1
134.03763	4.7
135.04527	73.0
136.01697	0.7
136.04860	3.2
137.02412	3.2
139.00394	3.1
145.02950	1.6
149.00880	0.8
149.06113	0.8
150.03114	0.6
151.03986	1.0
151.88229	0.6
152.01154	1.2
159.04506	1.2
161.02444	11.6
162.75685	0.5
163.04034	5.3
165.05627	0.6
167.03488	1.4
173.02394	0.5
177.05582	1.6
179.03499	52.2
180.03815	3.1
183.13892	0.8
191.03482	4.2
203.03482	1.0
205.05095	1.0
211.13387	0.7
219.02969	15.8
220.03329	0.9
221.04538	1.6
231.02963	3.6
275.02097	1.5
293.03040	26.5
294.03351	2.5
329.23288	1.6
330.58475	0.6
357.26407	4.8
373.25760	0.9
375.27496	100.0
376.27869	11.8
391.26727	1.0
417.28476	0.7
470.28622	0.7
507.28082	50.3
508.28452	6.3
537.33899	4.0
585.89874	0.8
597.76703	0.6
652.02917	0.6
669.32599	1.4
686.05225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72712	0.6
57.03455	3.2
59.01095	0.8
59.01384	13.2
61.98807	1.4
70.92620	1.4
70.92999	1.4
71.01383	1.6
72.19424	0.7
72.99297	1.1
83.01368	0.7
84.99301	1.8
85.02953	0.7
86.87756	0.6
87.00882	11.3
89.77963	0.5
93.03478	0.9
93.28457	0.7
96.99316	0.7
97.06577	0.9
99.04479	0.9
101.02419	1.0
103.00382	3.1
107.05038	0.9
107.71138	0.5
108.02157	1.1
109.02940	2.9
111.00919	0.9
112.98811	19.3
119.05051	0.9
127.00403	2.4
130.99854	1.7
133.02963	2.7
134.03708	2.7
135.04527	60.0
136.04834	2.7
137.02460	5.4
139.00374	2.3
141.05588	1.5
145.02930	1.4
148.05139	0.7
149.00914	0.9
149.06050	1.0
155.10709	0.8
159.04506	1.4
161.02444	10.8
163.03989	5.6
177.05585	1.1
179.03496	47.3
180.03845	2.8
183.13887	1.8
187.04042	0.8
191.03520	3.1
201.01883	0.6
201.14827	0.6
203.11430	0.8
219.02979	15.4
220.03262	1.3
231.02986	2.2
256.34653	0.7
275.01990	1.8
293.03043	26.7
294.03421	2.1
329.23367	1.2
357.26370	5.2
373.25974	2.0
375.27496	100.0
376.27893	11.1
389.29346	1.3
417.28195	1.1
489.26880	0.9
493.29181	1.2
507.28073	52.3
508.28381	6.2
537.33948	2.2
558.64899	0.7
652.30695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49652	1.4
57.03441	4.6
59.01381	26.2
60.05081	1.4
61.98837	9.0
70.67210	1.5
71.01377	6.9
72.99301	4.5
73.02964	2.5
83.01361	2.3
84.99309	2.3
85.02919	2.8
87.00871	21.4
88.01261	1.7
89.02428	2.6
93.03445	6.3
95.01359	1.8
96.34386	1.6
97.06554	2.8
101.02435	5.2
108.02171	3.3
109.02940	4.8
112.98810	26.8
113.02498	2.8
119.04996	5.0
120.82052	1.4
121.02961	3.5
123.04525	2.7
125.49957	1.5
127.00355	2.8
130.99811	2.2
133.02924	5.4
134.03690	6.6
135.04520	73.2
136.04851	5.2
137.02426	15.7
138.02812	2.9
138.05524	1.7
139.00336	3.0
141.05597	3.4
145.02943	5.3
149.00873	5.3
149.06093	1.9
152.01123	6.7
159.04643	2.2
161.02417	14.3
161.04515	1.7
163.04048	9.8
165.05440	1.9
167.03401	2.2
177.05568	2.6
179.03506	55.4
180.03831	3.2
183.13832	1.7
191.03508	3.9
192.19571	1.7
203.03351	2.9
219.02921	14.1
230.66582	1.7
231.02890	2.4
270.05365	2.6
277.03445	2.2
285.07678	3.3
293.03030	30.2
294.03305	3.1
354.62018	1.6
357.26450	2.8
373.25851	5.6
374.26361	2.3
375.27463	100.0
376.27774	12.5
391.26898	5.6
507.28030	43.7
507.35394	2.8
508.28412	7.0
537.34082	9.4
609.14551	1.9
669.23346	2.2
669.39594	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	668.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87181	2.0
55.01881	2.7
57.03449	3.6
59.01381	60.4
61.98516	3.7
61.98834	45.3
66.01218	2.1
66.64500	2.0
69.53190	9.9
69.53606	6.0
71.01392	23.0
73.02954	10.6
83.01369	5.3
85.02954	7.1
85.73499	1.9
87.00866	7.7
89.02436	11.0
89.23561	2.4
93.03470	3.6
96.96022	3.9
99.00891	13.3
101.02447	14.5
104.10376	2.2
108.02174	5.0
109.02958	19.4
112.98828	4.7
113.02438	10.6
119.05011	4.7
121.02969	2.4
123.08140	6.2
125.02467	4.5
133.02950	2.9
134.03738	7.3
135.04535	20.0
136.04871	5.4
137.02412	3.8
137.09747	4.6
145.02919	4.0
147.04468	3.4
149.00945	10.4
149.02309	2.1
149.04539	3.9
149.06056	5.9
150.03200	5.4
152.01102	7.0
153.01849	2.3
159.04503	3.0
160.01630	7.1
160.04041	21.9
161.02423	3.6
161.04602	5.7
161.06047	3.4
163.03984	5.6
163.11285	7.7
165.05563	7.5
167.03476	5.4
175.04033	14.7
177.05664	3.0
179.03471	10.6
189.05531	2.9
189.12822	8.4
191.03499	2.6
191.05545	3.1
191.07115	3.2
193.05028	6.4
195.06575	2.2
203.05634	3.0
205.46144	2.0
207.13979	14.9
209.08061	2.1
217.05052	2.9
219.03036	3.9
221.04692	2.4
235.05991	3.6
237.03981	2.6
239.05757	2.4
300.02490	3.0
301.03339	4.4
302.07565	2.7
327.08762	3.7
339.07199	15.1
447.47641	2.2
473.16583	12.6
506.12885	3.7
519.24652	12.2
547.14679	3.6
561.25482	100.0
562.25879	17.2
626.33661	2.3
668.16895	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	668.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36283	0.2
59.01384	0.5
61.98829	100.0
69.95537	0.8
71.01365	0.4
72.99325	0.2
87.00887	0.3
89.02472	0.3
89.03086	0.2
98.20575	0.2
119.05044	0.7
127.28278	0.2
133.03059	0.3
135.04532	1.1
149.00937	0.9
149.06142	0.3
151.03906	0.2
161.06174	0.4
163.04066	0.8
164.04375	0.4
177.01933	4.3
179.03540	0.8
189.05579	3.2
190.05885	0.4
192.09055	0.2
267.34879	0.2
339.07364	0.4
426.13583	0.3
443.19116	0.5
452.16312	0.2
471.11310	1.8
483.44135	0.2
527.13922	0.4
545.15076	0.7
550.04883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87181	2.0
55.01881	2.7
57.03449	3.6
59.01381	60.4
61.98516	3.7
61.98834	45.3
66.01218	2.1
66.64500	2.0
69.53190	9.9
69.53606	6.0
71.01392	23.0
73.02954	10.6
83.01369	5.3
85.02954	7.1
85.73499	1.9
87.00866	7.7
89.02436	11.0
89.23561	2.4
93.03470	3.6
96.96022	3.9
99.00891	13.3
101.02447	14.5
104.10376	2.2
108.02174	5.0
109.02958	19.4
112.98828	4.7
113.02438	10.6
119.05011	4.7
121.02969	2.4
123.08140	6.2
125.02467	4.5
133.02950	2.9
134.03738	7.3
135.04535	20.0
136.04871	5.4
137.02412	3.8
137.09747	4.6
145.02919	4.0
147.04468	3.4
149.00945	10.4
149.02309	2.1
149.04539	3.9
149.06056	5.9
150.03200	5.4
152.01102	7.0
153.01849	2.3
159.04503	3.0
160.01630	7.1
160.04041	21.9
161.02423	3.6
161.04602	5.7
161.06047	3.4
163.03984	5.6
163.11285	7.7
165.05563	7.5
167.03476	5.4
175.04033	14.7
177.05664	3.0
179.03471	10.6
189.05531	2.9
189.12822	8.4
191.03499	2.6
191.05545	3.1
191.07115	3.2
193.05028	6.4
195.06575	2.2
203.05634	3.0
205.46144	2.0
207.13979	14.9
209.08061	2.1
217.05052	2.9
219.03036	3.9
221.04692	2.4
235.05991	3.6
237.03981	2.6
239.05757	2.4
300.02490	3.0
301.03339	4.4
302.07565	2.7
327.08762	3.7
339.07199	15.1
447.47641	2.2
473.16583	12.6
506.12885	3.7
519.24652	12.2
547.14679	3.6
561.25482	100.0
562.25879	17.2
626.33661	2.3
668.16895	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38143	0.2
59.01379	3.1
61.98820	1.1
63.47675	0.2
71.01386	2.1
71.61324	0.3
73.02965	0.4
76.59570	0.2
78.95911	0.8
83.15903	0.2
85.02967	0.3
87.00851	0.3
88.31181	0.2
89.02441	1.2
90.53349	0.2
101.02441	1.2
102.21830	0.2
103.48910	0.2
113.02452	0.6
119.03534	0.3
125.09734	1.0
127.11293	1.8
143.03514	0.3
152.99602	0.5
153.09247	0.6
161.04585	0.5
171.10271	100.0
172.10619	4.0
184.27518	0.2
186.57501	0.2
219.18060	0.2
235.08203	1.4
253.09277	4.9
259.20538	0.2
277.21716	50.6
278.22092	4.4
291.57898	0.3
407.19370	1.2
431.22174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70925	0.3
59.01394	0.6
61.98834	100.0
78.95930	0.8
83.91555	0.4
98.20662	0.6
101.52106	0.3
118.52659	0.3
152.99628	0.7
153.35529	0.4
171.10271	8.6
172.10638	2.1
186.65118	0.4
229.23186	0.4
236.88097	0.3
240.88918	0.4
241.08517	0.3
253.09312	0.4
270.95816	0.4
277.21750	4.7
278.22070	2.2
492.09406	0.4
529.22302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.9
60.70940	0.4
61.98833	2.5
70.01901	1.8
70.02312	0.9
70.80782	0.5
71.01392	2.2
72.99318	1.6
73.02948	0.5
84.99319	2.0
85.02945	1.1
85.61842	0.4
87.00888	10.6
89.02444	0.7
93.03460	0.8
94.02948	0.5
96.96030	0.5
98.19926	0.6
99.00896	0.5
101.02451	1.0
103.00368	1.0
107.05039	0.6
109.02950	2.0
111.00904	0.5
112.98818	23.8
113.02415	1.0
119.05007	1.1
121.02964	2.8
127.00379	1.8
127.29873	0.5
130.99838	0.9
133.02925	2.2
134.03723	1.5
135.04527	23.4
137.02448	2.9
138.58330	0.4
139.00354	1.5
145.02959	0.7
147.04427	0.7
149.00905	1.9
149.06015	0.8
150.06883	0.9
158.65497	0.5
159.04553	0.8
161.02446	5.9
161.06117	1.7
163.04065	3.5
163.07605	0.5
175.03937	0.5
175.07614	0.5
177.05589	1.1
179.03508	8.6
179.10736	0.6
181.15964	0.8
183.72647	0.4
187.03973	0.5
187.07587	0.8
189.05449	0.5
191.03477	2.5
201.05534	0.6
211.16847	0.6
215.07083	0.8
217.05009	1.1
218.05367	0.5
219.02968	7.7
220.03535	0.7
227.03543	0.4
231.02956	1.4
253.94453	0.5
261.07690	0.7
265.21713	1.5
267.19681	1.6
275.02161	0.6
281.25000	0.5
283.22726	1.2
293.03003	16.3
293.24780	1.8
294.03403	1.3
307.19528	0.6
307.22864	4.9
309.20709	0.5
311.25952	0.6
319.22614	2.2
325.23901	1.9
329.27072	1.2
337.23795	3.3
355.24927	10.4
356.25214	1.1
373.25952	100.0
374.26303	10.1
376.18637	0.6
415.26938	1.0
420.17731	0.5
441.22031	0.6
485.21915	0.5
487.25555	0.6
505.26556	41.5
506.26880	4.6
517.24518	0.7
535.19373	0.6
535.32892	0.6
667.39081	3.4
668.37909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13008	0.2
55.01881	0.2
59.01385	2.9
61.98829	0.8
68.11982	0.2
71.01373	1.9
73.02960	0.3
83.01390	0.4
85.02969	0.7
87.00884	0.4
89.02455	1.3
99.00900	0.3
101.02432	1.9
113.02464	1.0
119.03500	0.4
125.09732	0.9
127.11272	1.5
144.39711	0.2
153.09268	0.5
161.04552	0.7
171.10274	90.4
172.10635	3.6
183.80609	0.2
219.09715	0.2
235.08228	2.8
253.09279	5.9
254.09644	0.3
259.20651	0.5
275.19952	0.4
277.21716	100.0
278.22055	8.9
371.67191	0.3
407.19238	0.5
420.20181	0.3
513.30627	0.7
600.87195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03448	1.1
58.00586	1.0
59.01380	29.8
61.98817	0.8
64.08605	0.5
69.03450	0.9
70.93963	0.8
71.01385	7.0
72.99313	2.7
73.02962	2.2
75.00864	1.2
83.01377	1.5
83.05057	0.6
85.02931	2.8
87.00878	15.7
88.01224	0.6
89.02429	1.3
93.03474	0.7
95.01398	1.1
99.00874	1.1
101.02435	3.6
103.00376	3.4
108.02174	5.0
109.02973	1.5
111.00877	1.0
112.98827	4.7
113.02443	1.9
119.05003	1.4
121.03010	0.5
124.01582	0.7
125.02419	1.3
127.11291	0.7
130.99843	1.5
133.01436	0.5
133.02936	1.6
135.04527	4.8
137.02446	2.0
138.05609	0.6
139.00388	0.6
143.03461	0.5
145.02933	0.9
149.00893	1.7
151.05284	0.4
152.01166	9.2
153.01823	0.7
161.02455	0.8
163.04022	1.5
167.03517	0.4
179.03496	3.3
185.22813	0.5
210.55888	0.5
219.02943	1.6
231.02768	0.6
241.21631	0.7
269.21176	2.3
270.94934	0.5
277.03384	0.5
287.22284	19.0
288.22546	1.7
293.02975	2.2
299.22232	0.9
301.23892	0.8
303.69781	0.5
319.75247	0.5
329.23425	0.5
351.45392	0.6
355.24768	0.7
373.18643	0.9
373.26028	4.1
389.25458	0.6
399.09280	1.6
401.25690	1.0
417.10159	1.1
431.26465	8.1
432.26898	1.2
449.27533	29.2
450.27945	3.3
459.11542	0.6
491.28607	100.0
491.99219	0.5
492.28940	12.6
505.26447	2.0
535.32062	1.5
581.27942	1.6
623.29504	1.8
667.22192	3.5
668.23413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79747	0.5
52.67602	0.6
57.03443	1.4
59.01376	9.7
61.98816	1.3
70.83935	0.8
71.01369	2.6
71.38322	1.0
72.99287	1.7
73.02922	1.2
84.99317	1.8
85.02966	0.7
87.00883	13.9
89.02469	0.6
94.35773	0.6
95.01390	0.9
96.96044	0.6
97.06548	1.1
103.00368	0.9
107.05030	1.2
109.02966	3.2
112.98811	22.2
113.02421	1.1
116.39323	0.6
119.05013	1.6
121.02919	0.8
123.08169	0.8
123.90072	0.6
125.09696	2.2
127.00371	3.9
127.11295	1.3
130.99857	2.3
133.02972	5.1
134.03716	2.1
135.04527	63.5
136.04840	2.8
137.02455	3.4
139.00372	2.3
145.02922	1.4
147.04568	0.8
147.93655	0.6
149.00894	2.9
149.06117	0.8
152.01183	0.7
153.09251	0.7
155.10759	1.9
157.08679	0.7
159.04526	0.9
161.02440	11.5
161.04507	0.7
163.04015	4.9
167.10901	0.6
171.10284	2.9
173.02368	1.1
177.05522	0.8
179.03505	47.2
180.03818	1.9
185.11768	0.8
191.03490	4.4
201.09132	0.7
205.05069	1.2
219.02977	13.9
220.03241	1.3
221.04521	0.7
229.14386	1.1
230.15227	1.0
231.03035	3.3
256.07657	0.6
275.01968	1.5
293.03021	28.2
294.03397	1.9
355.24939	2.5
371.24066	1.2
373.25922	100.0
374.26276	8.7
387.27621	0.9
389.25586	1.0
415.26984	1.4
487.25571	0.8
505.26590	34.7
506.26801	5.2
535.19476	1.2
535.32721	1.3
623.35382	1.0
667.39056	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.9
57.03446	1.0
58.00605	1.8
59.01379	25.4
59.83659	1.1
61.98812	1.1
68.99828	0.7
69.36317	1.4
69.36725	6.3
69.44186	0.7
71.01387	9.0
72.99307	3.2
73.02941	2.2
75.00880	2.1
83.01373	1.5
85.02950	3.2
87.00877	16.3
89.02472	1.2
92.78016	0.8
99.00906	1.0
101.02438	3.5
103.00365	2.4
108.02204	1.4
109.02985	1.1
112.98827	6.4
113.02458	3.3
119.05040	1.6
125.02463	1.2
130.99881	2.3
133.02977	2.5
135.04523	15.9
137.02415	0.9
145.02965	1.1
149.00902	3.0
152.01169	1.4
159.04454	0.9
161.02428	2.2
163.04012	1.8
164.98062	0.8
179.03482	9.9
202.59549	0.8
209.06335	0.9
219.02975	3.2
231.02995	1.2
269.21204	3.8
277.03580	1.1
287.22272	20.7
288.22870	1.2
293.03055	6.0
299.22058	1.0
301.23825	1.0
343.24841	1.1
373.25925	18.3
374.25885	1.4
391.82910	0.8
431.26453	9.7
432.26740	1.1
449.27515	29.0
450.27969	3.2
454.51544	0.8
491.28613	100.0
492.28961	12.6
505.26245	6.5
535.32172	2.5
581.27948	1.7
623.28027	1.3
623.36670	2.1
667.22430	1.0
667.38806	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76250	2.7
53.53836	2.5
59.01386	28.0
60.01725	2.3
71.01384	9.9
71.59663	3.4
85.02954	2.2
87.00890	9.0
89.02442	13.0
101.02426	6.5
103.00364	5.6
112.98812	15.6
113.02470	5.8
117.03468	4.7
119.03514	2.9
120.92390	2.3
134.03749	61.0
135.04520	4.9
149.00887	4.5
149.06090	6.8
151.51871	2.3
163.03951	3.7
178.02673	3.7
193.05064	100.0
194.05399	7.2
323.13562	22.7
324.13794	13.3
325.05524	22.4
325.11044	4.2
325.14224	6.7
326.06055	2.5
372.08099	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90687	1.0
57.03456	2.9
59.01378	21.1
61.98820	2.2
68.99817	3.2
69.03468	1.9
70.11010	4.2
71.01391	9.1
72.99305	7.6
73.02959	2.3
82.10834	1.3
83.05035	1.1
84.99333	6.5
85.02962	4.1
87.00379	2.4
87.00880	30.3
89.02447	5.7
89.56647	1.0
97.06581	2.2
101.02472	5.4
101.19406	1.1
103.00402	3.1
108.02181	2.4
109.02966	3.1
111.00871	2.9
111.08154	1.5
112.98814	78.7
113.02434	6.5
113.99178	1.4
117.03464	5.2
119.03625	1.5
119.05027	39.7
120.05384	1.6
121.02938	6.9
122.82501	1.1
123.04550	2.6
125.09709	1.4
127.00404	5.6
130.99867	4.8
133.02957	4.5
135.04529	36.4
137.02455	4.1
139.00391	2.2
143.04985	2.6
145.02965	20.4
147.04498	11.5
149.00848	3.8
149.06047	1.8
152.01138	4.7
161.02477	8.5
161.04626	2.9
161.06070	3.0
163.04007	21.8
165.12854	24.3
173.02397	1.9
175.03996	9.3
179.02046	2.2
179.03505	29.7
180.03847	1.8
183.13896	58.9
184.06134	1.3
184.14218	1.5
185.11794	2.0
189.05644	1.7
191.03421	2.9
197.15416	2.3
203.03511	30.2
204.03825	2.0
205.04982	2.4
207.13843	7.1
209.11761	2.7
215.03497	7.0
215.12791	1.9
216.20097	1.2
219.03003	7.1
225.14990	1.5
227.12875	100.0
228.13184	8.3
231.03049	2.0
233.04543	1.4
233.11819	1.4
251.12891	22.2
259.02365	2.6
269.13992	5.9
277.03516	45.6
278.03900	2.9
293.03085	20.7
293.14288	2.3
343.24835	1.4
355.25055	2.8
371.17169	3.5
371.24481	3.9
373.25925	53.0
374.26236	4.2
375.99164	1.2
385.40021	1.2
389.18161	19.6
389.25568	6.2
390.18384	2.8
399.87387	1.2
459.18500	1.6
503.17517	4.4
505.26678	18.6
505.33438	1.7
506.26773	2.3
535.32330	4.5
667.25580	3.4
667.38794	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	667.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	21.7
58.03782	0.3
59.01372	2.8
61.98826	1.1
71.01379	1.7
73.02943	0.5
75.00862	0.4
83.01388	0.6
85.02943	0.6
87.00880	1.4
89.02441	0.9
93.03463	1.0
95.05070	0.3
98.19917	0.8
99.00865	0.3
99.04510	5.0
101.02444	5.7
108.02165	0.6
109.02971	2.7
112.98804	0.8
113.02416	0.9
119.05020	1.0
121.02947	8.9
122.02450	0.6
122.02795	0.4
122.03749	7.8
123.04510	1.4
124.01629	0.6
125.02454	3.6
134.03734	0.8
135.04526	2.4
136.05289	0.7
137.02441	2.2
145.02936	0.4
147.04538	4.1
149.00900	1.1
149.02425	1.2
149.06039	0.7
150.03256	0.4
151.03970	0.4
152.01187	0.7
152.35179	0.3
154.02693	1.2
155.05644	0.3
161.02397	0.7
161.04628	0.7
161.06073	1.4
163.03975	1.1
164.04654	0.5
165.05577	15.5
166.02690	0.5
166.05957	0.5
167.03471	0.8
173.06020	0.3
175.04005	0.6
178.06319	0.3
179.03516	0.8
179.07130	5.3
181.08720	0.4
189.05496	0.3
190.06413	0.5
191.03397	0.5
191.07191	0.6
193.05096	0.4
205.08784	0.5
209.08205	0.5
222.09207	0.3
223.09775	0.9
234.76247	0.3
249.06111	0.4
298.12170	0.5
313.14316	0.8
315.12485	1.5
316.13223	0.4
323.43503	0.3
346.10272	0.6
346.14221	7.1
347.14572	0.6
353.08829	0.3
361.16553	100.0
362.16919	9.9
389.16058	2.6
390.16260	0.5
505.20801	0.6
523.21838	3.8
524.22327	0.6
535.23157	1.0
535.31189	1.6
565.23083	1.4
566.23010	0.4
641.88525	0.3
667.25281	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
59.01092	2.0
59.01383	36.2
61.98827	18.1
68.99821	4.8
69.31287	5.5
69.31718	5.1
71.01391	8.9
72.99311	16.6
73.02937	3.6
75.00885	1.4
83.01416	2.0
84.99306	7.8
85.02953	3.2
87.00881	22.8
89.02425	5.9
93.03471	4.5
95.01374	1.6
96.96037	1.8
98.66029	1.1
99.00876	2.2
99.04503	2.3
101.02486	6.9
101.48599	1.1
103.00385	11.6
108.02189	6.2
109.02949	4.8
111.00900	3.6
111.18114	1.1
112.98813	100.0
113.02452	4.9
113.99139	1.6
116.92885	2.0
117.03470	13.6
119.05029	95.4
120.05367	4.5
120.96418	1.3
121.02956	10.9
122.02479	2.2
122.03781	2.0
123.04514	4.2
124.01685	1.6
125.02451	2.4
125.54672	1.1
127.00381	10.5
129.03438	3.1
129.52840	1.1
130.99873	7.8
131.04991	1.5
133.02960	7.9
133.06615	2.4
134.03743	15.3
135.04549	16.0
136.01642	3.2
136.04878	1.6
137.02428	5.0
139.03981	1.5
140.46162	1.2
143.04996	4.9
145.02957	49.6
146.03345	1.7
147.04526	28.1
149.00908	15.7
149.02394	6.5
149.04965	1.9
149.06056	6.7
150.03232	16.5
151.04004	2.4
152.01138	8.5
153.01825	2.1
158.03741	2.8
159.04558	1.9
160.01633	1.5
161.02425	3.8
161.04637	2.6
161.06050	6.5
163.04013	37.1
164.04677	1.8
165.04301	2.0
165.05571	18.8
167.03482	6.4
171.04478	2.4
175.03989	21.6
176.04646	2.1
177.01889	2.4
177.05522	2.1
178.02740	7.0
179.03494	10.4
181.08730	2.1
185.11847	1.3
189.05576	3.8
191.07104	2.4
192.04178	1.2
193.05063	16.7
195.06577	8.4
203.03503	83.6
204.03802	3.4
205.04953	2.8
209.11749	4.0
215.03482	20.9
217.04932	1.8
219.02940	4.1
220.03607	1.9
231.03047	1.4
233.04578	4.2
235.06053	3.1
259.02463	9.6
267.06479	2.7
271.06079	1.9
277.03528	93.6
278.03806	3.9
279.06525	1.5
282.09045	2.6
286.04819	4.1
286.08450	5.9
287.09055	2.3
293.03195	5.7
301.07242	5.4
301.10797	15.6
311.09042	1.5
315.07361	1.4
341.10306	7.2
371.24170	2.2
373.25974	9.1
389.12415	15.8
389.25452	2.3
397.13144	1.9
415.14355	1.2
431.26428	1.8
485.10727	5.5
491.28528	3.6
505.13834	2.6
505.26453	2.0
521.13068	3.7
535.31622	19.6
623.19702	1.4
623.36035	2.6
625.21112	3.1
666.24615	1.8
667.23474	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	667.1516
Annotation	Euphorbianin
Peak:m/z	Relative Intensity
56.89318	0.3
59.01376	2.3
61.98831	1.5
63.02400	1.5
65.00319	2.9
65.53077	0.2
70.83482	0.3
71.01375	1.2
71.61832	0.4
71.99825	0.3
72.99309	2.4
78.05929	0.3
83.01389	2.3
85.02923	0.6
87.00880	1.2
89.02453	0.6
93.03457	1.1
96.96019	3.6
96.96986	0.3
99.00878	0.4
101.02454	0.6
103.00361	0.3
107.01387	6.3
108.02177	1.2
109.02930	2.1
112.98782	0.5
113.02434	0.5
116.92848	0.3
117.03437	0.4
119.05022	1.3
121.02948	6.5
122.03281	0.3
123.04543	0.8
124.01712	0.4
125.02414	0.9
133.02971	1.2
134.03728	0.7
135.00865	0.7
135.04524	5.4
137.02451	2.1
145.02965	0.7
148.01695	0.6
149.00897	1.3
149.02438	1.1
149.06122	0.4
151.00369	29.1
152.00822	1.2
153.01904	0.3
159.04485	0.3
161.02451	2.3
163.00383	2.3
163.04036	1.3
164.01227	0.7
165.01884	0.5
165.05556	0.6
167.03546	0.4
169.01418	1.2
175.04041	1.0
177.01906	0.4
177.05585	1.0
178.02640	0.3
178.99855	14.4
179.03404	2.6
180.00171	0.5
183.04529	0.4
187.04028	0.7
189.05568	0.6
191.03400	0.3
192.00613	0.6
193.01334	0.6
193.05037	0.7
197.04530	2.5
199.03943	0.5
201.05556	0.6
203.03471	0.6
205.05121	0.4
211.03976	0.7
215.03560	0.6
216.04260	0.5
221.04544	0.4
223.06145	0.3
226.02625	0.9
227.03450	2.1
229.05061	1.3
239.03436	0.7
241.04918	0.3
243.02971	7.6
244.03619	0.7
245.04483	1.2
254.02251	1.3
254.82687	0.3
255.02975	20.1
256.03333	2.3
257.04446	0.5
271.02466	42.9
272.02951	3.7
273.04034	1.4
283.02341	0.9
285.03775	0.5
293.02856	0.4
299.01956	2.6
299.95673	0.5
300.02744	82.2
301.03497	100.0
302.03851	7.1
313.07233	0.3
314.04346	1.3
315.05084	0.4
323.07758	0.3
337.08945	0.4
343.04587	0.4
359.09625	0.4
445.07651	0.4
463.08810	13.2
464.09003	1.6
487.12515	0.5
505.09848	96.7
506.10199	11.2
561.25409	1.3
667.16083	3.3
668.17383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88239	0.7
59.01376	14.3
61.98826	2.5
65.00327	1.7
68.99805	5.5
69.31662	5.2
69.32089	2.6
71.01391	5.1
72.99313	11.8
73.02948	1.9
75.00861	1.9
83.01360	1.2
84.99310	8.0
85.02951	2.4
87.00878	18.6
89.02428	2.0
93.03470	3.1
96.95983	0.8
97.02963	1.1
101.02440	3.7
103.00369	3.3
105.01945	4.8
108.02170	2.0
109.02962	1.3
111.00919	1.4
112.98813	100.0
113.02430	1.2
113.99162	1.5
116.92854	1.2
117.03465	11.7
119.05029	91.6
120.05363	3.7
121.02949	6.0
122.03750	2.1
123.04520	1.9
127.00365	7.9
129.03491	2.6
130.99863	2.5
131.05060	1.9
133.02919	3.5
134.03746	8.3
135.04552	4.1
135.93285	0.9
137.02457	2.8
143.05011	3.9
145.02945	41.8
146.03349	1.4
147.04532	23.7
149.00923	3.1
149.02373	4.3
149.06102	4.9
150.03236	14.0
151.00407	1.3
152.01120	2.7
154.99852	1.7
158.03760	1.9
159.04486	2.0
161.02444	1.9
161.06075	4.0
163.04010	41.5
164.04460	1.2
165.05565	12.7
167.03497	0.9
171.04488	1.9
173.06104	1.9
175.04002	19.0
175.20915	0.8
176.04646	2.9
177.05521	1.7
178.02660	2.9
179.03500	2.3
189.05589	3.5
191.07082	1.6
193.05058	8.8
195.06610	7.3
197.08133	1.1
203.03496	66.4
204.03893	2.8
205.05017	2.0
209.11833	1.5
215.03493	16.2
217.05058	2.4
225.92253	0.8
231.03065	1.0
233.04492	4.6
235.06117	2.5
245.76746	0.9
259.02466	7.5
277.03522	91.2
278.03906	5.6
282.08923	1.5
293.03131	1.0
307.04550	1.1
327.12402	1.1
341.10199	4.4
355.24893	2.0
365.10107	1.4
373.25757	5.8
383.10889	1.2
389.12289	3.8
401.25705	1.0
431.13635	0.9
485.10992	5.5
486.11426	1.3
535.31262	51.6
536.31543	3.2
605.64606	0.9
667.32562	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	666.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73827	0.5
59.01380	12.8
61.98829	95.2
69.27019	0.5
71.01385	1.1
71.45322	0.5
71.61642	0.5
72.99292	0.7
73.02953	0.6
74.16695	0.4
85.02966	0.8
87.00887	1.7
96.96035	0.6
99.00893	0.5
100.52520	0.5
101.02452	0.7
103.00368	0.6
108.02184	0.5
108.83109	0.5
109.02959	1.3
112.98815	7.3
113.02443	0.5
119.05020	2.4
121.02986	3.2
121.03793	0.6
123.00891	0.6
123.04554	0.5
124.01669	2.2
125.02425	1.1
133.02960	1.3
134.03743	5.4
135.04582	3.1
137.02412	1.2
138.03230	1.2
139.04012	1.9
145.02905	1.0
146.64377	0.6
147.04510	1.7
147.08154	0.8
148.05292	2.9
149.00923	0.9
149.02432	2.3
150.03224	17.8
151.04028	2.4
159.04497	0.9
160.05217	0.7
161.02423	0.8
161.06041	0.7
162.03210	1.5
163.04021	3.6
164.04721	0.9
165.05559	11.7
166.05858	0.5
170.20175	0.4
173.06085	0.8
175.03963	0.9
175.07611	1.4
176.04790	0.4
177.05692	1.1
177.09207	13.0
179.03517	1.1
187.07597	1.9
188.08409	1.5
189.09210	10.1
190.09554	0.8
201.09314	0.6
203.03456	2.2
203.10770	41.5
204.11101	2.7
211.13313	0.6
215.10730	1.8
243.06573	0.6
271.06171	1.9
277.03531	2.4
286.08432	2.8
297.07645	1.6
307.04541	1.1
323.12680	0.8
325.10745	0.8
340.13110	3.5
345.17148	0.7
355.15488	100.0
356.15805	11.9
357.26392	0.7
358.26636	0.6
559.21796	34.8
559.35211	0.9
560.22119	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	665.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16889	2.5
57.03438	3.0
59.01102	5.0
59.01381	100.0
61.98811	9.8
62.83936	2.5
71.01365	7.4
71.61508	4.3
78.95898	5.3
87.00851	3.6
89.02469	3.5
92.97541	2.8
103.00410	3.7
110.26284	2.4
112.98827	9.0
117.22185	2.5
130.11247	3.4
133.02994	4.5
134.03712	5.0
135.04504	6.6
137.02527	3.2
152.99469	3.9
177.01843	3.8
178.02730	9.0
179.03398	3.0
225.06186	2.6
265.34082	3.1
275.09238	12.0
561.38519	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	666.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
61.98834	84.4
69.29450	2.0
69.29862	5.3
71.01389	1.2
72.99326	0.7
75.07192	0.8
77.12686	0.8
79.30623	0.7
82.15289	0.8
87.00887	1.2
89.02464	0.8
95.90606	0.9
99.00883	0.7
109.02982	0.9
112.98820	1.9
115.89959	0.7
121.02951	2.5
123.00890	0.8
124.01669	2.5
133.02957	1.0
134.03748	3.4
135.04518	5.0
136.01662	0.8
137.02420	1.4
139.04088	1.9
147.04520	1.7
147.08173	1.0
148.05315	2.5
149.02399	1.8
150.02127	1.3
150.03220	13.1
151.04005	1.7
159.04549	1.1
162.03343	1.0
163.03920	1.6
165.05577	9.5
173.06030	0.8
177.05557	1.0
177.09204	10.8
178.02621	1.1
178.09535	0.8
179.03487	2.3
179.04909	0.8
187.07587	2.5
188.08388	1.6
189.09203	12.0
190.09639	0.8
203.10779	39.2
204.11115	2.6
215.10843	1.2
246.63884	0.7
271.06155	2.6
286.08493	3.5
297.07541	1.6
323.12778	1.4
325.10916	1.2
340.13367	3.6
355.15506	100.0
356.15863	11.4
420.23532	0.8
517.21167	1.1
559.21899	27.0
560.22235	5.5
599.78033	1.8
600.28680	1.5
650.65497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
58.00582	1.3
59.01381	33.7
71.01384	19.3
71.29784	1.0
72.99300	1.5
73.02932	0.6
73.80137	0.5
83.01382	1.0
85.02956	3.3
87.00873	1.8
89.02445	21.3
89.03602	0.6
95.01381	1.5
96.95950	0.5
101.02448	12.6
113.02450	7.9
118.16369	0.4
119.03506	10.8
131.03525	0.8
135.04510	0.5
143.03468	1.3
149.00888	1.0
161.04552	0.8
179.03517	0.6
179.05618	0.9
198.24242	0.4
323.13464	100.0
324.13898	5.5
488.04187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63517	1.8
52.31322	1.9
57.03449	2.1
59.01377	38.3
61.98821	2.3
62.61077	1.9
71.01383	29.0
72.99302	3.0
73.02957	2.4
83.01404	2.6
85.02958	8.4
87.00893	5.7
89.02435	29.8
94.08627	1.7
95.01384	3.0
96.96020	2.8
101.02444	21.7
113.02465	11.5
119.03507	11.2
119.05036	2.1
131.03473	2.3
132.95218	2.1
135.04500	14.5
137.61401	2.2
138.05612	2.7
149.00905	8.3
150.94537	1.8
161.02356	2.5
163.03911	2.6
179.03474	8.2
179.05678	3.4
189.05553	3.4
191.01913	1.8
205.05095	3.2
232.45961	2.0
297.74908	2.0
310.82129	2.0
323.13458	71.9
324.13901	5.1
344.11935	2.0
443.19202	100.0
444.19733	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.2
59.01381	2.7
61.98830	0.3
62.67052	0.1
69.03450	0.2
71.01376	0.8
71.14712	0.2
72.99308	0.3
73.02946	0.4
75.00861	0.1
77.03980	0.1
82.07372	0.1
83.01371	0.2
85.02950	0.5
85.36509	0.1
87.00876	0.7
88.13913	0.1
89.02436	0.4
93.03466	0.4
97.02937	0.2
99.00874	0.2
101.02441	0.4
104.75440	0.1
108.02185	0.2
109.02948	0.2
111.00912	0.2
112.98817	1.0
113.02429	0.7
116.92848	0.1
119.04973	0.2
121.02953	100.0
122.03277	3.1
123.00841	0.1
125.02449	0.3
127.00362	0.1
133.02983	0.4
134.03767	0.2
135.04524	1.5
137.02440	0.3
139.03967	0.1
143.03490	0.1
145.02890	0.1
147.04471	0.1
149.00900	0.3
149.04520	0.1
152.01134	0.1
153.18701	0.1
161.02417	0.3
161.04585	0.1
163.04024	0.4
165.01833	0.1
177.01939	0.1
177.09175	0.1
179.03458	0.8
185.04369	0.1
189.05553	0.1
191.03600	0.2
203.03520	0.1
203.05489	0.1
207.13957	0.2
219.02991	0.3
231.02783	0.1
267.12216	0.1
273.55145	0.1
277.03537	0.1
293.02963	0.6
315.08408	0.1
344.12537	0.1
370.13809	0.1
371.14261	0.2
371.24207	1.3
372.24615	0.1
387.23843	0.2
473.42667	0.1
475.96902	0.1
483.22534	0.2
501.23395	2.1
502.23575	0.3
503.24878	0.7
533.29901	0.5
543.24213	0.5
621.34698	0.5
665.37537	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56114	0.3
55.01873	0.3
57.03449	33.9
57.75997	0.3
58.03761	0.5
59.01385	5.4
59.85926	0.3
61.98822	1.6
69.41261	2.2
69.41676	0.6
70.19464	0.3
71.01390	3.2
72.99311	0.7
73.02927	0.6
75.00888	0.5
81.03464	1.0
83.01369	1.1
85.02959	0.9
87.00868	1.6
88.04027	0.9
88.98813	0.4
89.02439	0.7
92.69750	0.3
93.03448	0.8
93.58119	0.3
98.20618	0.9
99.00879	0.8
99.04518	13.9
101.02445	9.8
103.00350	0.4
108.02165	1.1
109.02969	0.8
110.89226	0.3
111.00853	0.5
112.98843	1.8
113.02458	1.1
117.03455	0.4
119.05017	1.5
120.04569	0.5
121.02988	2.9
122.02470	0.7
122.03786	0.9
123.00883	0.7
124.01637	0.5
125.02442	9.0
133.02946	1.6
134.03731	1.1
135.04536	2.2
136.05295	0.8
137.02449	1.5
137.06061	0.7
143.03537	0.5
143.05020	0.5
145.02948	1.4
147.04512	2.2
149.00916	1.5
149.02405	1.7
149.06114	0.5
150.03230	5.3
151.03848	0.4
152.01135	1.6
153.05515	0.4
158.03722	2.4
159.04517	6.5
160.05298	23.3
161.02443	1.1
161.04553	1.2
161.06036	6.6
162.02991	0.6
163.04001	5.4
164.04785	4.1
165.05385	0.5
167.03528	0.6
173.06102	2.3
175.04004	1.3
175.07642	19.3
176.07964	0.7
177.01974	0.5
177.05573	6.0
178.02679	0.5
178.06349	6.8
179.03500	1.6
191.07152	0.4
192.07941	1.1
193.05029	0.8
193.08704	2.6
203.03331	0.4
218.10356	1.1
219.02988	0.4
285.04129	1.0
285.07483	0.5
308.40094	0.4
314.11649	0.5
329.13925	100.0
330.14270	9.8
359.14999	17.1
360.15405	1.6
416.25201	0.4
503.19409	1.6
521.20264	1.8
522.20557	0.7
533.30225	2.2
534.29321	0.4
563.21307	0.4
621.14874	0.9
665.22870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52641	1.8
54.75794	2.0
57.03450	4.1
59.01384	21.3
61.98830	8.5
68.99830	1.8
71.01374	10.8
73.02958	3.9
85.02951	6.5
87.00884	7.9
89.02441	5.8
93.03455	33.1
96.96011	3.3
99.00859	5.9
101.02448	6.9
103.00346	2.2
108.02173	6.9
109.02962	5.1
112.20605	2.0
112.98814	7.4
113.02459	5.7
119.03632	2.0
119.05035	10.5
121.02956	4.2
122.02480	34.0
125.02425	4.2
133.02934	3.5
134.03752	4.6
135.04533	13.5
137.02441	100.0
138.02806	3.1
140.80469	2.3
145.03012	3.2
149.00958	6.5
151.00369	13.3
151.04013	1.8
152.01152	14.0
153.09184	3.6
161.02448	6.4
161.04689	3.0
163.04030	12.5
166.02721	35.5
167.03328	2.0
171.36278	1.6
175.04053	4.3
179.03549	8.5
181.05054	41.1
182.05341	2.4
191.03413	1.8
193.05014	3.7
283.10831	4.3
285.04083	2.1
299.05441	2.7
304.17419	1.9
329.13922	2.3
371.24185	2.6
387.10764	7.7
402.12970	5.1
417.10062	3.4
417.15555	60.5
418.16003	6.3
503.21338	7.6
533.30115	12.2
621.30542	2.3
660.62018	1.9
665.26514	12.6
665.37708	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37677	1.0
52.53653	0.9
58.00591	1.6
59.01380	32.5
61.98829	1.4
68.99807	1.3
71.01372	3.1
72.99323	5.7
73.02955	2.6
75.00883	1.0
83.01379	1.4
84.99305	2.5
85.02945	2.0
87.00382	1.7
87.00880	23.1
89.02417	1.5
93.03454	13.2
95.76568	1.2
98.19901	2.0
99.00896	1.4
101.02452	2.5
103.00376	15.3
107.04990	1.3
108.02182	2.2
109.02946	7.3
112.98814	29.9
113.02446	2.1
117.03496	1.3
119.05004	3.0
121.02943	3.3
123.04558	1.1
125.02423	1.4
127.00359	8.0
130.99876	10.9
132.00235	1.1
133.02942	10.3
134.03775	6.6
134.58607	0.9
135.04526	100.0
136.04851	3.7
137.02443	43.3
138.99345	1.0
139.00352	4.4
145.02951	1.9
147.04524	3.4
149.00914	8.4
149.02364	1.7
149.06075	2.3
151.03999	1.7
152.01126	1.9
159.04472	2.1
161.02441	21.3
162.02811	1.5
163.04007	12.3
173.02397	1.7
175.03978	1.2
177.01904	1.2
177.05502	2.3
179.03494	67.0
180.03830	4.3
187.04004	1.9
191.03499	8.3
191.04985	1.4
191.07130	3.0
203.03412	1.4
205.05080	3.1
219.02979	34.2
220.03494	1.9
221.04460	1.2
221.68439	0.8
231.02998	6.8
239.07176	1.1
247.10321	1.0
250.06198	1.1
251.07153	2.2
267.06525	6.3
268.06979	1.9
275.01971	4.1
279.06635	4.8
282.09006	3.1
285.07495	1.4
293.02991	41.5
294.02930	1.6
294.05728	1.7
294.08652	2.2
295.06003	2.1
297.11356	2.3
307.06110	1.9
308.06656	1.1
309.07761	4.6
322.08395	2.3
323.05728	4.6
323.09012	1.7
326.07919	2.4
337.07034	1.2
338.08029	7.4
341.10284	22.9
341.14185	2.1
342.10553	1.8
353.10294	30.5
354.10623	3.2
371.11285	23.8
371.14651	1.1
371.24292	5.9
372.11578	2.1
489.26764	3.5
503.12012	14.5
503.24820	1.7
504.12439	2.6
665.25317	3.2
665.37793	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75529	0.4
57.03447	7.3
59.01383	5.9
61.98843	1.2
63.02410	1.6
65.00346	1.1
69.46427	0.4
69.60069	2.1
69.60487	1.0
71.01396	2.5
72.99318	0.8
73.02959	0.9
83.01392	1.3
85.02958	1.2
87.00882	1.9
89.02446	1.4
93.03516	0.4
95.01471	0.4
99.04509	3.2
101.02438	2.8
103.00363	0.5
107.01398	2.5
108.02157	0.5
109.02950	1.5
112.98820	1.0
113.02452	1.3
119.05033	1.8
120.01255	0.4
121.02979	2.3
122.02493	0.6
124.01675	0.5
125.02471	2.7
130.99872	0.6
132.02220	0.7
133.02945	7.3
134.03749	2.4
135.04514	2.8
137.02470	0.8
145.02945	1.1
147.04521	0.7
149.00917	2.0
149.02422	1.9
149.06123	0.8
149.99641	0.4
150.03236	1.2
151.00377	6.7
151.03995	0.7
153.01949	0.4
158.03743	0.5
159.04489	2.2
160.01669	1.5
160.05307	3.9
161.02443	1.2
161.04581	0.7
161.06032	1.0
163.04018	3.2
164.04735	0.9
167.03558	0.5
171.04520	0.4
173.05966	0.8
175.04015	5.0
175.07613	4.0
177.01901	0.8
177.05597	1.1
178.06316	1.0
179.03462	2.2
187.04030	0.5
193.05042	1.5
193.08760	0.5
199.03986	2.2
200.04453	0.6
201.01962	0.8
211.03905	0.9
217.05040	1.7
219.06516	0.7
227.03445	1.2
235.06177	1.1
241.05077	1.1
247.09822	0.5
248.08215	0.4
255.03017	1.1
256.03802	2.1
257.04431	0.5
283.05728	0.6
284.03250	54.4
285.04025	98.0
286.04398	8.6
299.01822	0.5
327.05212	0.7
329.13919	20.8
330.14307	1.0
359.15009	3.9
360.15094	0.5
489.10440	4.2
497.55319	0.4
521.20062	0.8
533.22180	1.5
533.29785	1.0
561.12378	0.5
579.13489	1.8
621.14557	100.0
622.14886	12.9
665.19702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98830	100.0
62.98537	0.2
71.00539	0.2
72.99336	0.1
87.27074	0.1
88.98811	0.3
89.02454	0.2
106.05681	0.1
126.18240	0.1
235.77161	0.1
328.29477	0.1
354.83160	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	665.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12867	0.4
57.03448	7.0
59.01376	7.2
61.98835	1.6
63.02406	1.8
65.00035	0.5
65.00335	1.7
71.01387	2.9
71.62070	0.5
72.99321	0.5
73.02924	1.0
74.76896	0.5
83.01392	1.5
85.02938	1.2
87.00876	1.3
89.02435	1.4
96.95995	0.6
99.00859	0.6
99.04514	3.6
101.02448	3.4
107.01385	2.8
109.02958	1.1
110.94299	0.6
111.00867	0.5
112.98818	0.9
113.02422	1.4
119.05032	1.7
121.02951	1.7
122.02477	0.9
123.04555	0.7
125.02422	2.9
132.02148	0.8
133.02946	6.6
134.03760	2.3
135.04535	3.4
137.02429	1.1
145.02945	0.8
147.04488	1.1
148.05263	1.1
149.00928	1.8
149.02432	1.9
149.06073	1.3
150.03197	1.1
151.00377	5.5
152.01202	0.6
159.04500	1.5
160.01659	2.3
160.05290	5.1
161.02356	0.5
161.05988	1.2
163.04015	2.6
163.07637	0.6
164.04735	1.4
165.05478	0.6
171.04424	0.6
173.06058	1.1
175.03986	5.5
175.07668	3.5
176.04677	0.5
177.01942	0.9
177.05524	1.6
178.06364	1.6
179.03484	1.9
179.07042	0.6
185.06091	0.8
187.04082	0.5
193.05011	2.9
197.06055	0.7
199.04022	2.6
201.01857	1.3
211.03932	0.8
212.04683	0.6
213.05505	0.5
217.05035	1.6
227.03601	1.2
235.06085	1.0
235.38715	0.5
241.04869	0.8
243.03061	0.6
255.02972	0.9
256.03778	3.7
257.04465	0.6
284.03253	55.2
285.04016	99.8
286.04382	8.5
295.08093	0.6
327.05060	1.2
329.13919	20.2
330.14297	1.3
359.15002	3.4
401.49677	0.5
447.08493	1.0
489.10632	3.8
533.22467	1.7
533.29889	1.2
579.13489	1.9
621.14557	100.0
622.14929	17.1
665.18964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
55.71252	0.7
57.03455	3.7
59.01381	51.8
61.15508	0.7
61.98830	5.6
69.03444	1.0
71.01386	13.2
71.05018	1.3
71.62699	0.8
72.99303	2.5
73.02932	6.4
75.00843	1.0
81.03463	0.8
83.01387	3.5
83.05088	0.8
84.67789	0.8
85.02954	8.8
87.00874	5.3
89.02438	3.3
93.23009	0.7
95.01402	1.9
96.95995	2.1
97.02927	1.8
97.06598	1.7
99.00857	3.8
101.02440	12.7
103.00380	0.8
107.54802	0.8
108.02174	0.9
109.02966	2.2
109.06626	0.8
111.00873	2.0
112.98127	1.0
112.98808	8.8
113.02461	6.6
117.03453	1.0
119.05019	2.9
121.02945	3.4
123.04488	2.3
123.08129	2.5
125.02441	0.9
130.99872	1.0
133.02930	2.6
134.03711	2.9
135.04527	59.6
136.04880	1.6
137.02426	2.7
141.09180	0.8
141.12863	1.4
143.21468	0.8
145.02934	1.3
147.04482	0.9
149.00885	2.1
149.06018	0.8
150.03166	0.8
151.00340	3.4
152.01128	2.9
159.08112	2.2
161.02415	3.1
161.04514	0.8
163.03989	2.8
167.03444	7.4
171.10202	1.1
171.13869	2.1
177.05826	0.8
177.09221	1.0
178.02875	0.8
179.03510	6.3
181.12321	1.5
187.11259	1.6
199.13420	1.6
200.14305	0.8
203.07109	9.0
219.02924	2.1
221.08154	11.2
271.02628	1.2
277.03458	1.1
277.21829	1.1
293.03082	3.7
339.12338	39.7
340.12814	3.8
349.89410	0.8
352.12021	0.7
369.13254	2.8
369.22644	4.4
369.26682	1.0
371.28043	5.3
440.03009	0.9
501.23611	1.3
502.23514	1.0
515.32086	3.4
531.31500	2.5
533.33020	3.3
534.33490	1.3
577.32379	2.2
619.33331	100.0
620.33685	17.7
663.23035	8.3
663.35211	4.8
664.23309	3.1
664.99451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84737	3.0
52.71090	2.8
59.01099	3.5
59.01381	65.9
61.57296	2.8
61.98819	9.5
71.01384	36.1
71.09583	4.0
71.09921	6.4
72.99301	3.7
78.95898	3.9
83.01365	2.8
85.02953	7.9
87.00874	13.2
89.02444	44.7
99.57384	3.0
101.02425	17.6
113.02467	18.8
119.03514	16.4
131.79173	2.6
136.31586	2.8
143.03519	5.2
149.00887	4.5
149.60167	3.0
150.88593	2.7
151.84648	2.9
158.28665	2.6
161.04495	9.1
163.04037	2.8
179.03438	3.4
179.05583	18.5
279.23285	100.0
280.23517	8.5
293.24802	4.2
321.23999	3.1
323.09808	25.9
341.10855	50.1
579.28180	7.7
603.33850	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	664.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19018	0.2
59.01378	1.1
61.98830	100.0
70.12866	0.9
70.13209	0.2
71.01364	0.3
71.12393	0.2
78.95922	0.3
83.26689	0.2
87.00922	0.2
98.19888	0.3
101.02440	0.4
108.66109	0.2
123.35788	0.3
149.00839	0.2
278.55362	0.2
293.21234	0.3
579.26788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55915	0.6
53.13802	0.6
55.01875	1.7
57.03447	20.9
59.01380	29.3
61.98820	1.3
69.03479	1.1
69.52849	4.8
70.96940	0.6
71.01382	21.1
72.99303	2.4
73.02950	6.1
81.03450	1.4
83.01382	2.6
83.05029	1.7
85.02948	12.4
87.00872	5.4
89.02445	12.0
95.01391	3.3
97.02930	1.9
98.20599	1.4
99.00878	9.7
99.04517	11.9
100.04916	0.8
101.02448	14.2
108.95518	0.6
109.02945	0.8
111.00867	0.7
112.01680	0.8
112.98804	1.9
113.02451	16.3
115.04034	1.3
117.03474	0.8
119.03483	3.6
119.05010	2.1
121.02980	0.8
123.08167	8.6
125.02464	4.9
127.04071	0.7
131.03481	3.0
133.05070	1.9
134.03726	1.7
135.04509	2.9
137.02452	1.3
137.09648	0.9
143.03499	6.6
145.02950	4.6
149.00877	1.7
149.04527	3.2
149.06161	0.8
151.04022	0.7
159.02963	0.7
160.01517	0.6
161.04555	11.4
163.03993	1.6
163.11287	9.9
164.11589	1.0
170.44833	0.8
179.03387	1.0
179.05606	2.1
189.12856	4.5
191.05537	2.0
207.10245	0.7
207.13860	7.9
208.03888	1.3
223.06119	2.0
223.13432	3.4
233.06538	1.7
267.12375	1.8
293.08698	1.0
307.08249	1.4
343.43045	0.7
387.20117	1.3
387.71884	0.8
501.14423	2.0
501.23331	12.0
502.23822	2.1
513.20129	1.7
519.24451	100.0
520.24811	12.1
531.14294	1.6
531.20990	3.0
531.28076	1.5
532.21484	0.8
561.25909	1.3
631.90131	1.0
663.29218	5.8
664.29236	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06298	0.5
55.01873	1.2
57.03184	1.0
57.03450	17.6
58.00584	0.6
59.01380	32.4
61.98831	1.5
63.99376	0.5
65.54902	0.6
70.10636	2.9
71.01387	20.9
72.99298	1.7
73.02956	7.6
74.53109	0.6
75.00849	0.7
81.03485	1.1
82.98889	0.7
83.01393	1.8
83.05046	0.7
85.02954	12.2
87.00886	5.4
89.02444	14.6
93.59728	0.6
95.01390	2.1
97.02936	1.7
98.07199	0.6
98.19932	0.9
99.00885	11.9
99.04515	11.9
100.04848	0.8
101.02441	13.8
103.00385	0.7
109.02963	1.2
112.98814	2.1
113.02439	16.7
113.45930	0.6
115.04018	0.9
117.03448	1.3
119.03496	4.6
119.04987	2.9
123.08158	7.5
125.02453	5.1
131.03505	4.3
133.02986	1.0
133.05093	1.1
134.03763	0.9
135.04507	2.2
135.14911	0.6
136.07681	1.3
137.02452	1.6
137.09711	1.6
143.03485	5.7
145.02954	4.5
149.00893	1.6
149.02553	1.3
149.04559	4.6
149.06038	1.1
151.03976	1.2
152.01080	0.8
161.04555	13.0
163.03993	2.2
163.11276	10.3
164.04819	0.9
169.82513	0.6
171.04701	0.7
175.03954	1.2
177.01982	0.8
179.03494	1.3
179.05603	1.6
189.12852	5.5
190.13094	0.8
191.05553	4.0
193.05066	1.2
205.12334	0.8
207.10341	1.0
207.13933	7.0
208.03780	1.5
223.06070	4.0
223.13428	6.1
233.06607	2.3
267.12341	3.1
293.08887	1.1
300.13705	0.7
307.08368	3.0
327.99408	0.7
399.16803	0.8
421.13281	0.6
501.14188	1.9
501.23407	11.8
502.24057	1.2
513.19958	3.0
514.19458	1.0
519.24457	100.0
520.24780	12.5
524.94592	0.6
531.14502	1.5
531.21442	3.7
531.27979	1.3
561.25427	2.1
663.19189	1.2
663.22748	1.2
663.29712	5.4
664.28308	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	663.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	46.9
58.03781	0.7
59.01379	13.1
61.98835	1.3
65.53944	0.7
69.44800	4.8
71.01382	5.2
72.99299	1.3
73.02959	1.8
75.00890	0.8
81.03461	2.0
83.01398	1.4
85.02944	2.4
86.81080	0.6
87.00895	1.7
89.02444	2.1
93.03446	1.6
96.96030	0.8
97.02927	0.8
99.04518	32.2
101.02451	14.8
107.05008	0.7
107.54200	0.7
108.02189	1.4
112.98810	2.7
113.02440	2.9
115.53048	0.6
117.03456	0.7
119.03522	1.2
119.05038	1.3
121.02965	4.0
122.03736	4.8
122.06124	0.7
123.04544	1.4
125.02447	20.0
125.74670	0.7
126.02790	0.9
133.02924	1.0
134.03751	1.5
135.04543	6.5
136.01657	61.4
136.07686	0.9
137.02516	3.9
138.01901	0.8
143.03506	1.0
145.02980	0.9
147.04520	1.2
149.00916	2.8
149.06107	1.0
151.04004	89.0
152.04393	4.2
159.04520	1.7
160.05252	0.8
161.02472	1.4
161.04573	2.5
163.02856	0.7
163.04039	2.8
164.04718	1.0
165.05565	1.0
175.03995	1.6
175.07620	1.5
177.05482	1.1
179.03499	5.2
193.05122	1.0
203.03474	0.9
217.12439	0.8
229.09822	1.1
273.12494	1.4
279.12396	2.3
293.03073	1.3
317.11459	1.9
319.12939	1.5
327.12552	1.5
329.08743	2.5
335.12335	6.3
341.08911	0.7
342.11017	4.4
343.11569	0.8
357.13416	100.0
358.13834	10.4
369.13385	1.3
501.17764	2.2
519.19189	0.8
531.27856	1.9
587.25446	1.2
619.37738	2.4
631.24298	1.5
663.24420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03447	1.8
58.00586	2.7
59.01379	52.3
61.98804	1.6
69.03453	2.5
70.03086	1.5
70.03491	2.2
71.01382	43.1
71.60538	0.6
72.99306	5.3
73.02947	6.6
75.00874	1.3
81.03443	1.6
83.01383	5.0
85.02953	10.7
87.00876	11.7
89.02448	37.3
90.02784	0.6
91.04015	0.7
95.01395	2.5
97.02961	7.4
99.00907	3.6
101.02443	36.9
111.04509	1.0
112.98772	1.0
113.02451	18.3
115.03999	1.1
119.03507	14.4
121.02933	1.0
123.00817	0.8
125.01611	1.2
125.02448	14.0
127.03994	0.8
131.03508	2.1
133.05104	1.4
135.04500	0.7
137.06046	1.1
139.04056	1.1
143.03511	5.7
149.04535	1.5
161.04524	7.8
162.55606	0.7
165.05563	1.2
167.03455	1.2
179.05623	7.5
185.04564	1.0
195.51001	0.6
213.35568	0.7
217.07288	0.8
221.06625	3.5
235.08215	18.4
245.06688	0.8
248.38531	0.7
253.09277	4.8
263.20145	100.0
264.20557	7.7
277.09247	1.3
287.07828	5.1
305.08871	4.1
323.09802	2.2
361.11337	0.8
379.12515	1.1
397.13495	90.7
398.13751	7.1
415.14572	37.9
416.14880	3.3
457.29318	1.1
647.22235	0.7
662.34369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
59.01379	10.7
61.98822	1.8
69.03454	0.8
71.01384	6.4
72.99316	1.5
73.02946	1.9
83.01411	1.2
85.02947	4.0
87.00867	2.7
87.17967	0.6
87.57492	0.6
89.02451	2.2
93.03466	0.6
95.01393	1.1
96.96008	1.7
99.00887	0.9
99.04526	0.8
99.92572	0.6
101.02450	2.4
103.00412	0.6
107.04979	0.6
108.02179	47.8
109.02329	0.9
109.02979	16.2
112.98814	3.5
113.02435	2.5
115.92093	0.7
116.92868	2.4
119.03548	0.7
119.05035	2.1
121.02961	1.7
122.03763	5.2
123.04555	3.6
125.02434	1.6
125.06064	1.0
127.00368	1.0
133.02930	0.9
134.03748	1.2
135.04530	6.1
136.05307	1.1
137.02467	1.2
147.04514	0.9
149.00902	1.6
149.02438	0.9
149.06137	1.2
151.04013	1.8
151.07629	1.1
152.01158	100.0
153.01878	4.7
161.02422	1.4
161.04573	1.6
161.09756	0.6
163.03995	6.2
165.05582	1.6
175.04044	4.4
177.01921	1.3
177.05574	1.0
179.03459	4.2
185.09772	0.8
189.09157	0.7
193.05035	1.0
201.11234	0.7
201.12885	3.1
203.10765	2.1
204.11574	6.5
219.02994	2.2
219.13908	6.7
237.04080	3.5
241.07214	1.7
252.04306	1.8
263.12964	2.8
267.06631	2.3
285.06107	1.3
286.06937	0.6
293.03012	1.5
294.03201	0.6
311.07431	0.7
329.08813	2.3
369.13483	0.9
369.22913	1.8
399.09290	16.1
400.09616	1.6
417.10358	18.4
418.10779	1.4
501.23810	1.2
531.28326	0.9
587.24969	0.9
631.23859	0.7
663.22931	98.5
664.23340	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	661.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.3
58.00587	1.3
59.01381	58.1
61.98823	3.7
69.22933	0.9
69.44899	2.8
69.45319	4.1
71.01382	23.9
72.99307	2.4
73.02945	13.7
73.61206	0.9
83.01390	3.3
85.02950	6.7
87.00874	2.6
88.41752	0.9
89.02449	14.7
95.01400	1.7
96.18408	0.9
96.96018	2.0
99.00854	0.9
99.04475	1.4
101.02454	16.7
103.00327	1.1
109.02954	1.3
112.98835	4.2
113.01762	1.3
113.02443	9.0
119.03529	4.7
119.05008	2.8
120.05326	1.0
121.02953	2.6
123.08212	0.9
125.02418	1.0
130.99854	1.1
131.03505	1.2
133.02895	1.0
134.03702	0.9
135.04518	4.3
137.02435	0.9
137.09779	1.0
145.02934	1.4
149.00981	1.5
161.02455	1.3
161.04567	1.8
163.04007	3.5
165.05644	0.9
179.03471	4.2
179.05566	1.2
211.04330	0.9
213.91258	0.9
257.15482	1.0
367.11765	4.3
367.21368	1.0
413.21786	2.0
455.22864	100.0
456.23190	11.0
479.22903	2.4
529.23114	1.9
661.37988	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73732	0.7
55.01862	1.3
57.03437	1.7
58.00579	0.8
59.01378	59.8
61.98818	1.8
65.35319	0.8
69.55711	5.2
71.01383	27.9
72.99303	1.1
73.02950	18.7
83.01384	5.6
85.02955	6.3
87.00870	2.7
89.02448	14.6
93.64988	0.9
95.01408	1.9
98.19917	1.7
99.00894	0.9
99.04542	1.1
101.02447	18.1
112.98775	2.2
113.02449	9.2
119.03482	5.2
119.05036	0.9
121.02908	1.0
123.04556	1.0
125.02455	1.9
134.12320	0.9
135.04517	3.1
145.02972	1.4
149.04512	1.1
161.04594	2.2
163.03981	1.5
175.03984	1.4
179.03468	2.0
189.16483	2.4
201.05539	1.3
219.03104	1.0
233.15466	1.2
235.06026	0.8
235.17128	0.9
237.03940	2.0
257.15439	0.9
297.51468	0.8
367.21033	1.3
395.20642	1.7
413.21719	5.2
419.20569	0.8
455.22852	100.0
456.23154	11.5
479.22858	1.4
499.21967	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
58.00585	1.2
59.01381	57.9
60.70142	0.6
61.98844	3.4
69.03445	0.9
71.01385	23.5
71.46189	0.7
72.99314	2.2
73.02948	12.4
75.00869	0.7
77.79971	0.6
79.69167	0.7
83.01400	4.5
83.05029	0.6
85.02964	6.3
87.00879	4.0
89.02446	14.6
95.01382	2.5
96.51012	0.7
96.95973	1.7
98.20741	1.1
99.00874	1.1
99.04532	1.3
101.02444	16.0
103.00349	0.8
109.02934	1.0
112.98812	4.3
113.02456	9.8
119.03508	4.8
119.05005	2.9
120.05352	1.0
121.02944	3.0
125.02444	1.6
131.03491	1.1
133.02942	1.1
135.04523	4.6
137.02449	1.0
143.03542	1.2
145.02945	0.8
149.00949	1.7
161.02463	1.3
161.04520	2.2
162.57550	0.6
163.03992	3.0
164.04430	0.9
173.17670	0.7
175.04042	0.8
177.01956	0.9
178.02657	0.7
179.03503	2.4
179.05611	0.7
189.16469	2.1
219.02783	1.2
257.15530	1.1
293.03067	0.9
367.11862	3.3
367.21255	1.6
413.21677	1.7
455.22858	100.0
456.23267	12.2
479.22839	3.0
499.20731	0.8
529.23206	1.3
661.37988	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	659.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01723	1.0
61.98835	2.3
70.13209	0.7
78.95897	2.1
83.05068	0.3
112.24419	0.2
131.64296	0.2
133.71173	0.2
152.99570	1.1
171.10355	0.3
178.08800	0.3
207.10208	0.2
225.11514	0.3
237.04245	0.3
277.04373	0.2
279.23419	0.9
361.10614	0.2
379.11780	0.4
415.22836	0.3
541.37231	0.3
581.39819	0.2
598.59534	0.3
659.36267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04460	0.5
59.01381	100.0
60.01701	0.7
61.89441	0.5
61.98834	4.4
69.91077	2.2
78.95908	12.4
96.96976	1.5
98.19887	0.6
107.71689	0.5
109.06621	0.9
126.48103	0.5
152.99605	4.6
181.12386	0.6
183.71533	0.4
194.98558	0.5
199.09827	1.0
207.10257	1.0
225.11324	1.0
279.23401	3.3
361.10681	0.8
379.11646	1.4
427.86203	0.5
563.38898	0.9
581.39789	0.7
641.34845	1.2
659.35553	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	661.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.3
59.01378	15.9
61.98838	8.5
68.49091	0.9
71.01380	2.8
71.62389	1.3
73.02948	1.1
73.94810	0.9
74.39047	0.9
77.11264	0.8
77.69321	0.9
78.95941	1.4
80.96504	1.6
87.00865	2.7
88.98795	1.3
96.96015	1.6
99.04529	1.7
99.92583	4.7
101.02449	1.6
108.02158	0.9
109.02927	1.5
112.98804	6.6
116.92862	32.5
117.01931	1.7
119.05067	1.9
121.02956	4.2
123.00887	1.0
124.01662	1.5
125.02431	1.2
127.16560	0.8
133.02974	1.5
134.03708	4.0
135.04536	4.3
137.02448	1.7
139.03989	2.4
147.04495	2.0
147.08067	1.0
148.05269	3.4
149.02402	1.9
150.02124	1.5
150.03223	14.7
151.03940	1.7
155.14859	0.9
160.05247	1.0
161.02411	1.0
161.04591	1.2
161.06010	1.2
163.03976	3.8
164.04602	1.3
165.05557	9.6
171.10342	1.1
172.10493	1.1
175.07640	1.2
177.09184	12.7
178.09578	1.3
179.03491	1.3
187.07692	1.8
188.08485	1.8
189.09204	10.7
203.03522	2.4
203.10770	42.1
204.11029	2.5
211.13441	0.8
215.10773	1.1
225.00694	1.2
271.06122	2.0
277.03473	2.4
286.08521	2.7
323.12540	1.3
340.13132	5.1
355.15494	100.0
356.15863	8.8
383.24274	3.0
435.69913	1.2
459.14532	1.1
471.15475	2.4
499.19363	1.5
517.20776	38.8
518.21124	5.5
559.21759	15.5
560.22144	2.4
599.24701	2.2
601.38251	1.2
661.36096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01731	1.1
60.75048	0.7
61.98837	8.4
66.36015	0.8
66.82048	0.7
71.51428	1.2
78.39417	0.7
78.95926	6.7
86.91241	0.8
88.08328	0.7
96.96976	1.8
134.66167	0.7
152.99654	2.2
181.77293	0.9
199.13538	1.1
232.48601	0.8
279.23245	1.9
291.19809	1.2
554.92755	0.9
659.37042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94553	0.4
59.01382	100.0
60.00636	0.4
60.01711	0.9
61.98833	2.7
69.40610	3.0
78.53527	0.5
78.95904	7.7
96.96973	1.0
98.19897	0.9
105.95528	0.4
107.08212	0.4
109.06602	0.5
142.62030	0.4
152.99565	2.6
207.10425	0.5
225.11385	0.8
255.87158	0.5
277.21826	0.5
279.23450	1.7
308.52094	0.5
379.11887	0.9
379.47815	0.5
415.22897	0.8
484.04410	0.6
541.37115	0.5
631.64386	0.5
641.35010	0.7
659.36108	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	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98829	10.0
71.24920	1.6
78.95892	4.1
94.65730	0.8
106.04137	0.7
110.16518	0.7
130.01620	0.7
152.99657	1.4
186.30406	0.7
193.27208	0.8
209.22386	0.7
282.10941	0.8
292.16229	0.7
541.36493	1.0
659.39301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.4
61.98822	2.2
71.01371	1.0
73.02926	0.6
74.21424	0.5
87.00877	1.9
97.87694	0.5
98.00668	0.6
107.01389	1.2
108.02152	0.6
108.05983	0.6
109.02921	1.0
112.98842	0.6
116.92832	0.9
133.02959	3.4
135.04512	1.6
149.00917	1.6
149.02464	1.0
151.00407	2.9
154.00917	1.6
159.04442	0.8
161.02478	0.7
163.04010	1.1
171.04584	0.6
175.03978	1.6
179.03574	0.8
197.04489	0.8
197.63248	0.6
199.03992	1.3
203.74643	0.6
229.88350	0.7
243.02960	0.7
256.03714	1.1
284.03275	12.3
285.04044	100.0
286.04425	7.8
302.68607	0.6
363.16400	0.8
399.26407	0.5
421.17697	0.7
484.31149	0.7
493.67258	0.7
593.15100	64.5
594.15411	9.9
656.18024	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.1
59.01380	23.3
61.98830	2.8
65.97566	0.9
69.27238	8.8
71.01385	11.8
72.99336	0.9
83.28685	0.9
85.02966	3.8
87.00883	2.7
87.03143	0.8
89.02449	14.5
95.01406	1.8
99.00898	1.3
101.02451	6.2
112.98808	2.9
113.02451	7.5
113.06078	1.0
119.03500	3.5
119.04944	0.8
122.06149	1.0
122.54912	0.9
123.07976	0.8
134.03723	1.3
135.04529	2.7
136.07709	1.1
136.68724	0.8
139.53938	0.9
149.00980	1.1
149.04547	1.0
161.04587	1.3
179.03679	0.8
179.05580	5.2
186.57431	0.8
211.13414	1.1
239.28539	0.9
257.12933	2.5
271.20688	3.6
288.94049	0.9
289.21713	69.5
290.22070	7.3
301.11917	4.0
303.23090	1.7
315.19611	9.7
316.20065	1.4
333.20700	100.0
334.21021	9.3
375.21878	5.2
468.10306	0.9
471.56946	0.9
481.31631	1.5
495.25995	49.4
496.26355	6.7
525.22784	1.2
525.30719	2.3
539.63214	1.0
552.21039	1.0
631.79327	0.9
657.35052	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	654.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
57.24155	1.5
59.01380	100.0
60.01711	2.2
61.98831	69.4
71.01382	19.1
71.61321	3.3
72.99297	4.3
73.02954	5.3
83.01395	3.0
84.26488	1.5
85.02944	7.0
87.00867	12.2
88.98819	2.0
89.02442	6.4
95.01421	1.9
96.96007	2.0
97.02968	1.7
99.00890	3.6
101.02450	11.1
103.00356	3.5
109.02939	2.3
112.98808	13.7
113.02454	13.1
119.04994	3.7
121.02981	3.5
125.02521	3.7
133.02943	3.4
134.03769	1.8
135.04498	10.2
136.04865	2.4
137.02466	4.2
139.04012	2.0
145.02998	3.1
149.00932	6.2
150.03244	8.8
161.02444	5.7
161.04558	7.1
161.05954	2.7
163.03973	3.7
165.05547	11.9
167.03508	1.7
173.06194	2.0
174.03242	1.9
175.04016	2.3
177.05504	1.7
179.03471	6.3
187.07622	3.4
189.05537	1.9
199.07596	3.6
200.08017	2.4
201.05461	2.6
203.03416	1.5
203.07135	2.5
204.07576	3.3
205.53152	1.4
209.11819	8.3
211.13387	2.5
217.08638	4.2
218.09053	1.7
219.03075	2.5
229.08672	2.3
230.09109	1.7
247.09650	4.1
248.09985	2.9
283.13382	1.6
293.02991	2.1
318.14487	1.7
325.27701	1.8
344.16168	1.9
345.16660	2.9
348.08459	2.2
354.10950	3.4
355.11801	2.3
359.28143	2.1
360.28217	3.5
362.16833	2.0
369.13394	19.6
370.13705	13.2
371.13983	1.8
375.27606	2.3
376.27621	1.9
442.23126	5.0
460.24200	2.9
487.32755	67.7
488.26685	1.7
488.32654	7.6
503.22598	2.4
504.23282	21.9
505.23480	2.0
505.33701	9.6
506.34238	2.5
522.35284	3.2
547.34839	4.3
573.19843	6.0
574.19897	8.9
654.34039	2.3
655.24524	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	654.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48633	1.1
59.80069	1.2
61.98832	100.0
66.55217	1.0
75.87820	1.2
78.95914	3.1
94.85009	1.2
98.20732	2.1
99.56355	1.3
101.22255	1.3
102.02235	1.0
111.88772	1.4
158.90750	1.2
163.34767	1.2
199.60490	1.2
231.02989	1.7
397.11465	1.6
437.25131	1.2
633.96124	1.5
658.41095	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97238	0.2
55.01877	2.1
57.03450	1.2
58.00600	1.8
59.01381	45.8
60.01702	0.5
61.98833	0.2
65.03936	0.3
67.01878	0.3
68.99809	0.6
69.03456	2.6
71.01385	38.3
72.01714	0.7
72.99306	2.4
73.02950	6.2
75.00873	0.8
81.03465	1.8
83.01398	4.5
83.05052	0.3
84.02184	0.2
85.02950	8.7
85.03444	0.5
86.00090	0.4
87.00877	9.4
87.04513	0.3
89.02445	36.6
90.02815	0.3
91.04021	0.9
93.03465	0.4
95.01382	2.6
97.02945	6.1
99.00892	2.3
99.04546	0.5
101.02444	32.1
102.02815	0.6
103.00445	0.3
103.04044	0.3
109.02933	0.7
111.00906	0.5
111.04517	1.0
112.01711	0.4
113.02450	14.9
114.02790	0.3
115.04020	0.8
119.03503	10.6
121.02946	0.7
123.00894	0.5
123.04481	0.3
124.01665	0.4
125.02447	13.2
126.02776	0.3
127.04033	0.6
131.03494	2.0
133.05074	1.3
137.02383	0.4
139.03990	1.2
141.01952	0.7
143.03494	6.5
149.04543	0.9
157.05025	0.3
161.04559	7.7
167.03485	0.8
169.05008	0.4
171.03021	0.7
179.05603	7.3
181.05099	0.3
184.14700	0.3
185.04594	0.9
199.06122	0.7
203.05630	0.5
217.07185	0.9
219.05188	0.4
221.06624	2.8
221.99992	0.3
235.08218	14.8
236.08583	0.7
237.22345	0.5
245.06656	0.6
253.09299	3.7
255.23288	100.0
256.23645	8.2
263.07742	1.5
269.24759	0.7
277.09286	1.0
279.23199	0.3
287.07733	4.2
288.07962	0.3
305.08789	4.4
323.09796	2.2
361.11542	0.7
379.12445	0.8
397.13489	90.0
398.13855	7.4
415.14557	34.1
416.14929	3.4
417.15097	0.6
628.98505	0.3
649.39581	0.3
653.37311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21071	0.2
55.01882	1.9
56.18880	0.2
57.03455	1.1
58.00600	2.5
59.01383	42.1
60.01704	0.3
61.98835	0.5
67.07314	0.2
68.36448	0.2
68.99821	0.5
69.03467	2.5
71.01385	39.9
72.01716	0.5
72.99309	3.3
73.02952	6.5
75.00871	0.8
81.03455	1.8
83.01389	4.9
85.02954	7.9
86.00090	0.3
87.00877	9.0
87.04521	0.4
89.02447	34.7
90.02764	0.4
91.04008	1.0
93.03471	0.5
95.01401	2.8
97.02956	6.9
99.00887	2.6
99.04510	0.7
101.02446	31.2
102.02795	0.6
103.00426	0.3
103.04025	0.3
108.02180	0.3
109.02948	0.7
111.00890	0.7
111.04526	1.2
113.02452	15.3
114.02776	0.3
115.04021	0.6
119.03506	10.4
121.02946	0.5
123.00869	0.4
123.04601	0.4
124.01696	0.6
125.02450	14.1
127.03989	0.5
129.01941	0.3
131.03473	1.7
133.05051	1.2
137.02484	0.3
139.03995	1.3
141.01974	0.6
143.03502	6.4
149.02440	0.3
149.04526	1.0
161.04559	7.9
167.03517	0.9
169.05058	0.5
171.03023	0.4
179.05614	7.2
180.05879	0.2
185.04575	0.5
199.06105	0.6
203.05557	0.6
217.07280	1.1
219.05013	0.5
221.06677	2.1
235.08224	15.2
236.08549	0.8
237.22260	0.3
245.06612	0.9
253.09264	3.1
255.23299	100.0
256.23633	8.2
263.07739	1.9
269.24783	0.7
277.09229	1.1
285.77124	0.2
287.07758	3.9
305.08780	3.9
306.09158	0.3
309.82108	0.2
323.09879	1.9
361.11475	0.7
379.12418	1.3
388.42010	0.3
397.13507	87.4
398.13812	6.5
415.14569	33.8
416.14914	2.6
653.37018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03430	1.9
58.00578	0.9
59.01379	33.0
60.01701	0.6
61.98831	3.0
71.01385	9.8
72.99302	3.3
73.02956	3.0
75.00841	1.0
83.01371	2.1
84.99331	0.8
85.02941	3.7
85.36511	0.5
86.03288	0.5
86.68903	0.5
87.00385	0.9
87.00879	11.8
88.98799	1.5
89.02441	4.6
95.01402	1.0
97.02924	1.0
99.00871	2.0
101.02460	5.4
103.00368	2.2
109.02924	0.6
112.98804	7.5
113.02430	4.2
119.03493	1.1
119.05002	2.0
121.02950	0.9
123.04520	1.0
124.01661	0.7
125.02438	2.2
130.99838	1.8
133.02902	0.8
134.03754	0.7
135.04518	4.4
137.02400	0.7
143.03477	0.8
145.02908	0.7
147.04485	0.7
149.00905	4.1
150.03284	0.8
151.04016	0.8
151.07764	0.6
152.01155	0.9
161.02467	1.0
161.04527	2.4
161.05846	0.7
163.03917	2.6
165.12894	1.7
167.03464	0.8
170.28770	0.5
175.03894	0.7
177.01947	0.6
178.02603	0.8
179.03491	1.6
183.13884	4.6
201.05515	0.7
203.03481	1.3
204.22957	0.6
219.02997	0.7
227.12871	5.3
236.06868	0.6
271.02640	1.0
277.03540	1.7
283.06137	1.0
313.23840	2.2
329.13718	0.6
329.23416	1.1
341.10541	0.6
341.26959	3.1
359.13538	4.1
359.23917	1.0
359.28003	11.6
360.28247	1.0
375.27298	2.2
422.70102	0.6
441.22552	1.2
449.32751	1.2
459.23679	1.8
491.14050	1.1
503.22867	2.5
503.32214	1.0
521.33289	100.0
522.33673	11.6
554.95868	0.6
556.76642	0.6
593.36646	3.3
638.20294	0.6
653.33801	10.6
654.34698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69344	0.5
55.01883	0.8
57.03433	1.4
57.60114	0.4
58.00570	0.6
59.01379	23.9
61.98836	3.4
66.03932	0.4
68.99805	1.0
70.58601	0.9
71.01383	8.8
72.53246	0.5
72.99301	2.9
73.02947	2.6
75.00887	0.6
83.01376	1.5
84.99300	0.9
85.02951	4.1
87.00871	13.6
88.98815	1.1
89.02452	3.2
90.43895	0.5
93.03452	1.7
95.01381	0.7
96.96011	0.9
97.06572	0.4
99.00878	0.8
101.02454	5.5
101.11562	0.5
103.00349	1.3
104.87169	0.4
108.02147	1.2
109.02951	0.8
112.98811	13.8
113.02451	2.5
116.92852	0.7
117.03483	0.6
119.03522	0.7
119.05013	7.0
121.02939	1.0
123.04505	1.4
125.02435	1.2
127.00350	0.8
130.99858	2.0
134.03662	0.6
134.06131	1.0
135.04562	3.2
137.02493	2.6
143.04990	0.5
145.03018	2.2
147.04506	1.1
149.00909	3.0
149.04532	0.5
151.00404	0.5
152.01157	2.1
153.01953	0.6
160.04030	0.6
161.02437	1.0
161.04504	1.6
161.05894	0.6
163.04002	5.2
165.05717	0.5
165.12909	0.5
167.03539	3.5
175.04031	1.5
179.03491	2.0
183.13873	1.9
193.05011	0.9
201.05536	0.6
201.09225	0.6
203.03539	3.8
211.13457	0.7
215.03513	0.9
221.04440	0.4
227.12898	1.7
243.02950	0.9
255.02995	1.3
271.02505	5.1
272.02884	0.8
273.79379	0.5
277.03513	6.8
278.03885	0.5
279.11209	0.8
281.03098	0.9
293.02930	0.9
299.02045	2.6
300.02768	8.4
313.23853	2.4
315.05106	9.3
316.05548	0.6
323.10477	1.1
329.06860	0.7
329.23315	1.6
341.10706	1.1
341.26904	2.4
350.11758	0.5
354.39310	0.5
357.26514	2.2
359.13434	1.5
359.24680	0.7
359.28049	14.1
360.28421	1.5
375.27512	5.1
389.28857	1.0
397.14108	0.5
398.14871	0.7
417.28543	1.2
430.13199	0.9
441.22900	0.9
459.23785	1.4
477.10696	1.0
503.22916	1.7
503.32095	1.4
506.22565	0.7
521.33301	100.0
522.33655	13.4
566.24799	0.6
578.21069	0.8
593.36536	0.8
610.23743	1.3
651.63312	0.5
653.15613	4.5
653.33795	10.5
654.15247	0.9
654.33984	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.4
59.01381	26.6
61.98819	3.2
69.78416	8.1
71.01396	7.7
72.99318	2.3
73.02972	2.1
78.95895	3.5
84.99288	2.2
85.02950	2.0
87.00878	19.7
88.98786	1.8
89.02401	2.4
93.03429	1.8
99.00887	1.4
99.92586	1.2
101.02440	3.6
103.00352	4.6
107.05022	1.9
109.02944	3.5
112.98811	23.1
113.02475	1.9
117.03403	1.7
119.04998	2.2
121.02937	2.6
127.00364	3.3
130.99832	3.0
133.02945	5.8
134.03731	5.2
135.04527	60.7
136.04828	2.4
137.02452	7.6
139.00394	1.9
145.02939	3.4
147.04520	2.1
149.00938	6.5
149.06133	1.8
150.03214	2.0
152.01027	1.4
152.99611	1.3
159.04475	3.2
161.02454	12.3
161.06053	3.4
163.04019	6.5
167.03468	1.2
174.03204	1.8
175.03976	4.1
175.07590	2.6
176.04703	1.4
176.68829	1.3
177.05521	4.1
179.03503	51.7
179.05095	2.7
180.03802	2.3
187.07626	3.0
190.06218	1.7
191.03506	2.4
201.05548	3.3
203.03500	3.1
203.07124	4.8
205.08553	1.4
207.10222	2.1
209.11687	3.1
211.13420	5.2
215.07150	1.9
219.02979	17.5
225.11230	1.8
225.14870	1.9
229.08546	2.7
231.02914	2.8
247.09752	5.3
248.10429	2.3
269.13968	1.4
271.13492	1.5
275.02078	1.4
293.03000	29.0
294.03250	3.0
313.23935	3.5
319.15509	1.6
341.26630	1.5
357.26443	1.2
359.28018	100.0
360.28418	9.2
361.16589	1.7
373.29544	1.5
375.27261	2.1
397.19876	1.7
441.22617	4.6
459.23929	1.6
491.28552	43.1
492.28741	5.1
503.22928	21.5
504.23163	4.4
521.34607	2.3
593.37408	1.7
653.31708	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	653.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60461	0.5
57.03447	1.0
58.00594	0.9
59.01378	13.4
61.98839	1.2
64.83218	0.5
68.99828	1.1
69.97605	2.3
71.01397	1.0
72.99301	1.0
83.65790	0.5
84.52167	0.4
84.99316	2.2
85.02949	0.7
87.00879	12.4
99.79118	0.6
101.02448	0.7
103.00388	3.3
107.05054	1.1
109.02950	2.9
111.00916	1.0
112.98814	21.3
113.02415	0.6
127.00353	2.7
130.99852	2.5
131.28229	0.5
133.02975	3.4
134.03758	2.6
135.04527	75.3
136.04832	3.3
137.02437	4.1
139.00365	2.3
145.03033	1.0
149.00922	1.2
149.06006	0.6
151.04033	0.6
159.04506	1.3
161.02441	11.6
163.03975	5.1
175.03888	0.7
177.05539	1.5
179.03496	60.1
180.03822	3.3
187.04065	1.5
187.07692	0.9
191.03513	4.8
203.07118	1.0
205.05092	0.8
211.13435	1.3
215.07028	0.9
219.02969	14.4
220.03329	0.7
221.04568	0.7
231.02989	3.4
247.09740	1.4
275.01953	1.4
293.03027	26.4
294.03415	2.2
311.26120	0.7
313.23877	3.2
341.26996	1.1
344.16226	1.0
359.28015	100.0
360.28357	11.0
373.29639	0.8
391.26669	0.6
441.22784	0.9
459.23633	1.0
473.27451	0.7
491.28622	44.9
492.28922	7.5
503.22925	5.1
504.23303	0.7
521.34589	0.7
653.31067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.6
58.00599	1.1
59.01380	15.8
61.98823	3.4
64.51984	1.2
68.99815	3.6
69.71124	1.0
70.59634	3.3
71.01047	1.0
71.01359	5.5
72.99310	9.0
73.02947	2.3
78.95907	1.5
84.49366	1.0
84.99311	8.8
85.02957	2.0
87.00877	27.5
87.04522	4.7
88.98801	1.2
89.02454	2.1
97.02985	1.1
97.06600	1.5
98.52856	1.1
101.02441	2.5
103.00323	1.8
111.00943	1.6
112.98813	87.9
113.02446	2.2
113.99180	1.2
117.03465	4.5
117.96416	1.0
119.05022	62.4
120.05376	3.0
121.02968	3.1
123.04495	1.4
123.08161	2.5
127.00394	5.2
129.03500	1.4
129.88599	1.1
130.99875	2.3
132.18138	0.9
133.02945	1.7
135.04550	8.6
137.02454	1.0
139.11276	1.3
141.12799	1.2
143.05054	2.2
145.02953	21.2
147.04521	12.0
149.00932	6.1
149.06137	1.7
149.69789	1.1
157.12323	1.4
161.02425	1.7
161.06096	5.9
163.04008	39.1
163.65208	1.0
164.04324	1.5
169.12277	2.5
171.13898	1.3
173.06081	1.0
175.04008	11.2
176.04422	1.7
177.05722	1.3
179.03542	5.0
183.13876	7.1
185.11839	2.1
187.07596	1.6
187.13435	2.4
189.05573	2.8
199.13509	1.2
201.05499	1.5
203.03503	34.3
203.07246	1.9
204.03745	1.9
205.05077	1.3
211.13383	3.2
215.03484	7.8
215.07005	1.4
215.12825	1.6
219.03006	3.0
225.14999	1.7
229.14343	1.8
247.09789	1.6
248.10205	1.5
259.02463	4.0
269.13968	1.2
275.09448	1.3
277.03519	72.6
278.03894	3.7
293.02988	1.8
311.22244	1.2
329.23236	3.7
344.16260	2.2
349.44031	1.1
357.26459	39.3
358.26813	3.1
359.28107	6.3
373.25894	2.2
375.27499	100.0
376.27832	9.6
387.27438	1.7
389.29050	20.8
390.29443	2.3
415.21368	1.4
417.28632	20.2
418.29053	2.7
441.22562	3.6
459.23657	1.8
489.26950	10.6
490.27243	2.0
491.28415	3.0
503.22864	13.7
504.23425	2.0
507.27844	1.6
521.34534	7.6
552.60583	1.2
653.31335	8.3
654.32007	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	653.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53497	0.7
57.03444	1.2
59.01382	15.4
61.98822	1.1
68.99821	0.8
71.01379	1.9
72.99310	2.6
73.02928	0.6
84.99306	3.0
85.02947	1.3
87.00380	1.3
87.00880	15.7
97.21749	0.7
98.20673	1.0
101.02460	1.1
103.00368	3.9
107.05032	1.3
108.02183	0.7
109.02951	3.4
111.00896	1.0
112.98815	26.5
117.03482	1.1
119.05000	2.1
121.02959	2.2
122.02489	0.9
127.00364	4.5
130.99823	3.3
133.02986	4.4
134.03767	4.1
135.04529	80.3
136.04814	3.3
137.02434	3.5
139.00385	2.5
145.02945	1.0
147.04497	1.3
149.00906	2.6
149.06061	0.9
150.03242	0.8
159.04486	1.5
161.02448	12.5
161.06050	1.6
162.02856	0.8
163.03995	7.4
173.02431	1.0
174.03166	1.3
175.03966	1.4
177.05576	2.8
179.03499	64.0
180.03796	2.7
187.03970	0.9
187.07591	1.6
190.06166	0.7
191.03435	4.4
201.05583	1.9
202.06259	0.8
203.03412	1.5
203.07083	1.9
205.08615	0.8
211.13432	1.4
215.07095	0.8
219.00838	1.0
219.02971	17.0
225.14941	0.8
231.03003	2.6
247.09775	1.8
252.90868	0.6
263.28586	0.7
269.13971	1.3
275.01956	2.1
277.03577	1.1
290.15018	0.7
293.03027	27.9
294.03366	2.2
311.25891	1.2
313.23862	3.4
317.13953	1.4
319.15073	0.8
325.14352	0.9
341.26920	2.4
344.16174	1.6
357.26306	2.1
359.28018	100.0
360.28348	10.6
361.16339	0.8
369.13434	1.0
373.29739	1.2
375.27679	3.5
441.22937	2.8
447.98120	0.7
459.23837	1.3
473.27432	0.8
491.28601	49.8
492.29028	6.9
503.23007	11.7
504.23184	2.5
521.34668	2.3
653.32635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12323	0.3
55.01880	0.5
56.53370	0.4
57.03458	1.1
58.00599	1.8
59.01384	36.1
60.01725	0.5
61.01561	0.4
61.98828	1.4
66.81047	0.4
69.03452	1.3
69.89041	0.8
69.89429	1.0
71.01385	34.2
72.99309	3.4
73.02950	3.6
75.00877	0.9
78.95891	0.6
81.03458	1.1
83.01393	4.1
85.02956	6.8
87.00883	7.6
89.02449	32.9
93.03470	0.9
95.01392	1.9
97.02951	4.4
98.19859	0.6
99.00887	1.6
99.04523	0.5
99.92574	0.5
101.02447	28.8
103.04010	0.4
109.02975	0.6
111.00934	0.6
111.04519	0.8
113.02453	13.2
114.02768	0.5
115.03999	0.5
119.03506	9.4
125.02451	7.8
131.03511	1.5
133.05083	0.7
137.02425	1.0
139.03937	0.4
143.03525	4.2
149.04573	1.2
161.04562	5.5
171.10318	0.6
179.05624	8.6
180.05820	0.6
185.04559	0.9
209.11749	0.4
221.06702	2.3
235.08234	8.3
253.09312	2.6
253.21725	30.3
254.22157	2.2
263.07736	1.6
277.09268	0.5
287.07785	1.2
305.08749	1.6
323.09763	0.9
379.12637	0.5
397.13510	37.8
398.13785	3.2
415.14569	100.0
416.14938	7.2
591.22925	0.5
651.24341	2.1
652.25604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.6
59.99401	0.7
70.89063	0.7
71.01387	1.3
72.00905	1.5
72.99305	3.6
75.55560	0.7
82.27049	0.9
85.02940	0.8
87.00881	12.6
89.02432	1.4
89.03570	5.1
90.02834	0.8
101.02452	1.0
103.00379	3.7
105.01897	0.9
107.05051	1.7
112.98827	1.0
113.02448	0.8
115.01510	0.8
130.99875	1.0
132.04161	4.1
133.02977	1.0
134.03729	3.1
135.04523	75.4
136.04834	2.1
138.75009	0.8
149.00919	67.1
150.01254	1.5
161.02382	0.8
161.06046	0.8
163.04044	1.2
165.04051	1.0
166.29593	0.8
169.42262	0.8
175.04735	4.9
179.03499	100.0
180.03880	4.2
189.05573	0.9
193.04990	0.9
206.95468	1.0
309.11835	0.8
311.04135	19.1
311.07443	1.8
311.09863	1.6
312.04559	1.2
378.32419	0.8
521.46277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27742	0.3
53.05176	0.3
57.04134	0.3
60.18124	0.3
61.98818	0.5
62.96392	0.5
67.14379	0.3
71.34368	0.6
76.91378	0.3
78.95907	100.0
83.20628	0.4
83.39468	0.3
96.96957	0.7
106.42828	0.4
149.00085	4.9
152.99570	1.4
179.01099	0.6
199.09727	0.3
205.16022	2.3
223.70842	0.3
231.39146	0.4
255.23250	1.5
285.12628	3.8
355.16574	1.7
385.17755	1.1
391.22751	0.4
447.13571	4.6
448.13464	0.5
472.51181	0.3
584.49384	0.4
653.30109	53.2
654.30487	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	653.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24466	0.4
59.01370	0.6
61.98832	100.0
69.49126	3.3
78.95905	1.0
104.28561	0.5
152.99567	1.1
188.59438	0.5
255.23120	0.7
277.03329	0.5
282.46008	0.4
301.40460	0.5
484.51129	0.5
571.29169	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88193	0.6
57.03438	2.7
58.00603	1.1
59.01384	14.2
61.98834	4.5
68.99817	2.1
69.03463	0.8
71.01394	4.7
71.63213	0.8
72.99315	6.0
73.02934	1.7
73.74888	0.6
83.01364	0.8
84.99316	3.6
85.02945	1.6
87.00381	1.3
87.00880	20.9
87.04541	3.2
88.01193	0.8
88.98804	1.1
89.02446	0.9
90.28677	0.6
93.03465	0.9
97.06557	0.7
99.00872	1.0
99.04539	1.0
101.02442	2.2
103.00372	2.5
108.02130	1.0
109.06618	0.8
112.98814	50.1
113.02432	1.8
113.99194	0.9
117.03458	2.6
119.05030	38.8
120.05379	1.8
121.02972	3.8
123.04526	0.9
123.08154	1.4
127.00397	4.1
129.03452	1.0
130.99847	3.0
133.02975	1.2
134.03725	0.7
135.04514	4.6
139.11279	1.2
140.80020	0.6
143.05061	1.4
145.02963	16.0
146.03667	1.1
147.04539	8.5
149.00911	4.0
149.05960	0.8
153.09167	1.3
159.04497	1.5
161.02428	1.6
161.04596	0.8
161.06078	3.0
163.04008	15.3
167.03516	0.9
169.12277	1.8
171.04460	1.4
173.06105	1.1
174.03206	1.6
174.06883	1.0
175.03998	7.4
175.07649	0.8
177.05542	0.9
177.09300	1.1
179.03508	2.9
185.11768	1.9
186.06821	0.9
187.07605	2.9
188.04799	1.3
189.05594	1.8
193.05049	0.7
199.13387	0.8
201.05594	2.6
201.09041	0.8
203.03505	26.4
203.06950	3.5
204.07886	1.1
205.08638	1.6
211.13383	2.7
215.03580	5.5
215.07022	1.6
215.12837	1.5
219.02960	1.1
225.14973	1.6
229.08673	1.1
230.09367	1.7
233.04524	0.7
247.09697	4.9
248.10394	1.2
259.02469	3.5
263.39105	0.8
269.13864	1.3
277.03528	38.1
278.03769	2.7
293.03085	1.6
296.75613	0.7
301.14444	1.0
311.22232	0.8
317.13858	1.7
329.14078	1.2
329.23294	2.7
343.15189	0.9
344.16193	2.5
351.19476	0.8
357.26465	24.5
358.26923	2.0
359.28110	1.5
361.16550	1.9
373.26038	1.8
375.27496	100.0
376.27905	10.2
387.27475	1.0
389.29010	10.0
391.27020	0.7
399.27295	0.8
417.28574	11.1
418.29147	1.1
441.22836	3.1
459.23697	1.5
489.27051	10.6
490.27774	1.8
503.22879	22.6
504.23132	2.7
507.28073	16.4
508.28253	1.4
521.24036	0.8
521.34869	3.5
574.57666	0.8
653.32971	1.1
680.45563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03432	1.4
58.00577	0.5
59.01380	14.8
60.99312	0.4
61.98835	1.8
65.08556	0.4
69.03458	0.4
71.01387	6.6
71.62238	0.8
71.96534	0.4
72.99318	2.2
73.02931	1.9
75.00865	0.5
83.01381	1.3
83.05010	0.9
84.99300	0.5
85.02953	3.0
87.00878	13.9
87.04525	0.4
87.87506	0.4
88.98794	1.6
89.02442	1.5
93.03444	0.7
93.19759	0.3
95.01386	0.5
99.00890	1.0
101.02447	3.9
103.00356	1.6
104.33684	0.4
108.02192	0.5
111.00873	0.5
111.94064	0.4
112.98829	6.2
113.02460	2.6
116.92804	0.6
117.03497	0.6
119.03564	0.5
119.05026	4.5
121.02964	1.4
121.06537	0.4
123.04481	0.7
123.08207	0.4
124.01739	0.4
125.02473	0.5
130.99869	1.1
133.02914	0.6
134.03696	0.5
135.04517	1.8
137.02437	1.6
137.09778	0.4
145.02939	1.5
147.04529	1.0
149.00879	2.7
149.06082	0.5
150.03093	0.5
152.01097	0.6
159.04475	0.6
161.02411	0.6
161.04565	0.5
163.03999	2.9
167.03464	1.3
171.10271	0.7
175.03917	0.9
179.03467	1.6
203.03476	2.1
209.08151	1.0
210.08723	0.4
215.03561	0.5
225.11356	0.4
249.05597	0.4
266.05426	0.5
267.06616	35.4
268.06876	2.2
269.10251	0.6
275.09262	0.5
277.03549	3.0
279.23456	0.5
293.03052	0.5
294.33676	0.4
297.24295	0.9
309.24292	0.6
325.23871	0.7
327.21658	0.5
327.25394	6.1
328.25986	0.5
339.25482	1.9
355.25021	2.0
357.22049	0.7
357.26462	15.2
358.26816	1.3
373.26004	3.1
380.44458	0.4
387.17792	0.4
415.26874	0.8
429.11890	5.5
430.12128	0.5
489.30682	2.0
501.30594	1.5
519.31781	100.0
520.32147	14.1
547.29370	0.4
651.32062	7.3
652.32880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03440	1.3
58.00586	0.7
58.13040	0.4
59.01093	0.9
59.01378	14.0
61.98820	1.5
69.03432	0.4
71.00996	0.6
71.01382	7.0
72.99304	1.9
73.02933	1.5
73.19607	0.4
75.00877	0.5
83.01377	1.2
83.05025	0.6
84.99310	0.8
85.02943	2.7
86.00111	0.5
87.00876	12.1
87.04520	0.5
88.98783	1.3
89.02442	2.2
91.01860	0.4
95.01376	0.8
95.20647	0.4
97.02958	0.7
97.06618	0.7
99.00865	0.7
99.04491	0.8
101.02432	3.4
103.00375	1.4
108.02138	0.4
109.02953	0.5
111.00855	0.5
111.08174	0.5
112.98808	6.7
113.02442	1.9
117.03439	0.4
119.05012	3.4
121.02940	1.1
122.02469	0.6
123.04501	1.0
123.08177	0.6
125.02434	0.7
127.00354	0.7
130.99847	1.1
133.02946	0.5
135.04536	2.6
137.02440	1.5
145.02930	1.2
147.04533	0.9
149.00952	2.5
149.06093	0.6
152.01195	0.5
159.04433	0.7
161.02463	1.1
161.04530	0.8
163.03961	2.4
165.05534	0.5
167.03525	2.8
171.10333	0.6
175.03951	0.6
179.03452	1.6
203.03503	2.1
207.10233	0.5
209.08067	0.8
229.67487	0.5
253.08868	0.4
267.06628	14.4
268.06839	1.3
275.01926	0.4
275.09338	0.7
277.03448	3.3
279.23221	0.5
291.23187	0.8
297.24319	0.8
327.25409	5.9
328.25717	0.9
336.82764	0.6
339.25449	1.7
355.24915	2.4
357.22113	1.0
357.26462	13.4
358.26715	1.5
373.25870	2.8
429.11707	2.1
489.30667	2.4
501.30624	1.6
519.31757	100.0
520.32141	15.2
607.18323	0.5
651.32220	6.5
652.32983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57802	1.3
57.03445	1.8
59.01381	27.0
61.98834	8.7
68.99801	1.6
71.01380	9.7
71.61617	1.1
72.99298	5.0
73.02939	2.8
75.00865	1.9
77.19805	0.9
78.95901	2.6
84.99306	1.4
85.02944	4.3
85.75891	1.0
87.00876	18.3
88.98796	4.0
89.02421	2.7
95.01360	1.2
95.05013	1.1
96.96017	2.0
97.02893	1.4
97.06586	1.1
99.00864	1.8
100.13474	0.9
101.02442	4.7
103.00367	3.7
105.01922	1.6
108.04624	1.0
108.41111	1.1
109.02950	4.1
109.06587	4.4
111.00839	1.2
111.08086	1.0
112.98811	21.2
113.02451	2.6
115.97912	1.0
119.05057	2.1
121.02957	27.9
123.88612	1.0
127.00369	3.9
130.99861	4.8
133.02992	6.6
134.03729	5.1
135.04523	58.9
136.04826	3.1
137.02451	7.1
139.00330	2.5
145.02914	1.3
147.04530	1.9
149.00920	4.9
149.06000	1.7
159.04510	1.3
161.02420	11.9
161.04478	2.1
163.04013	7.4
163.11270	3.4
171.10211	3.2
175.04016	1.3
177.01912	1.8
177.05556	1.8
178.02699	5.1
179.03496	49.7
180.03790	3.1
191.03455	3.6
203.10709	1.7
205.04979	1.6
207.10248	7.7
209.11807	1.5
213.09279	1.8
219.02969	16.9
225.11295	4.2
227.16443	3.7
231.02977	2.7
243.12308	2.3
253.09265	1.6
275.01962	2.0
275.09235	9.5
293.03024	30.9
294.03415	2.0
327.25247	7.7
338.99487	1.2
339.25284	3.4
357.26443	100.0
358.26755	9.9
360.16592	1.4
389.15921	1.2
445.28693	1.6
475.28909	1.7
489.27042	28.2
490.27264	4.1
519.33356	5.8
651.29767	2.3
651.39496	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	651.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28706	0.7
57.03432	2.0
58.00596	0.6
59.01093	1.3
59.01380	21.0
61.98827	2.8
68.99814	1.0
71.01376	4.9
72.99312	2.9
73.02946	2.2
75.00865	1.0
75.84031	0.6
79.78403	0.6
84.02171	0.7
84.99332	3.1
85.02956	1.5
87.00379	1.3
87.00880	19.7
87.04512	0.7
88.98792	1.1
89.02438	1.4
91.05519	0.8
93.07098	1.4
97.06614	0.8
98.20606	2.1
99.00895	1.1
101.02427	2.7
103.00404	4.0
107.05015	2.0
108.02159	2.5
109.02977	4.0
109.06589	1.4
111.00910	1.0
112.69959	0.6
112.98813	29.3
113.02425	2.1
113.99151	0.9
117.03478	1.2
119.05006	5.0
121.02946	2.8
122.02474	0.7
125.09708	0.7
127.00361	4.3
130.99866	3.2
133.02975	6.0
134.03757	5.2
135.04526	84.7
136.04828	3.4
137.02431	4.6
137.50963	0.6
139.00368	2.4
145.02936	2.7
147.04498	2.7
149.00925	3.1
149.06035	0.9
152.01158	4.8
159.04477	2.2
161.02458	14.5
161.04480	0.8
161.06027	0.8
163.04005	9.0
163.11197	0.8
171.10294	1.2
173.02437	1.1
175.04012	1.5
177.05536	2.0
178.02707	1.0
179.03496	57.5
180.03850	3.0
187.04063	0.8
187.07648	1.7
191.03476	5.1
199.09789	0.7
199.66847	0.6
203.03540	2.0
203.10730	0.7
205.05070	1.2
207.10313	2.5
215.12938	0.7
219.02986	15.4
219.05072	1.4
221.04555	0.7
225.11324	2.4
227.16476	5.9
231.02917	4.0
231.10280	2.2
241.18025	0.7
247.09703	0.8
275.01828	1.2
275.09335	5.5
276.10004	0.7
277.03479	2.7
293.03055	26.3
294.03421	2.0
297.24423	0.9
327.25482	6.2
339.25308	3.5
355.24878	1.9
356.25256	0.7
357.26450	100.0
358.26828	10.6
371.24081	0.9
373.25940	7.4
374.26465	0.9
389.25650	2.3
399.09192	1.0
415.27029	1.0
471.26144	1.2
489.27057	39.6
490.27469	4.6
519.33368	5.0
598.94360	0.8
651.26105	4.9
651.39575	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11436	0.5
55.78204	0.5
57.03445	1.0
58.00602	0.8
59.01382	15.3
61.98838	2.4
68.99818	0.8
69.27102	2.5
69.27527	2.1
71.01398	3.0
72.99315	1.5
73.02962	1.2
83.01395	0.5
83.05031	0.8
84.99311	2.6
85.02952	1.1
87.00880	13.9
88.98826	0.8
89.02460	1.3
93.07124	1.3
96.96048	0.5
97.06649	0.6
98.19910	1.0
99.00891	0.7
101.02439	1.7
103.00416	2.9
105.01952	1.0
105.03512	0.5
106.04353	0.5
107.05024	1.2
108.02168	0.5
109.02956	3.7
109.06613	1.1
111.00884	1.0
112.98816	26.5
113.02443	1.2
117.03471	0.6
119.05057	1.1
121.02940	1.0
123.08196	0.5
127.00365	3.7
130.99840	2.5
133.02954	4.7
134.03766	4.9
135.04533	77.4
136.04881	2.5
137.02435	3.4
139.00343	3.0
145.02980	1.1
147.04515	1.0
149.00948	1.4
149.02385	0.4
149.06085	0.6
151.03932	0.6
159.04539	0.9
161.02461	11.7
163.04024	7.2
163.11319	1.4
171.10268	1.4
173.02403	0.6
175.03952	1.0
177.01968	1.1
177.05682	0.7
179.03506	53.6
180.03812	2.3
185.11792	0.5
191.03520	4.3
199.09784	0.6
203.03468	1.1
203.10765	0.7
205.05107	0.8
207.10307	3.4
219.02992	14.4
220.03413	1.0
225.11305	2.2
227.16541	5.0
228.73402	0.5
231.02925	2.9
241.18190	0.7
243.07417	0.5
259.49139	0.6
275.02048	1.1
275.09207	2.3
277.03534	1.8
293.03058	23.6
294.03311	1.6
297.24313	0.9
327.25342	5.7
339.25388	2.9
355.25366	0.5
357.26474	100.0
358.26819	9.9
373.25836	2.4
401.04764	0.6
461.20245	0.9
489.27084	39.2
490.27155	5.4
519.33142	1.5
651.40289	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	651.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98312	0.6
57.03450	1.8
59.01384	16.4
61.98843	3.8
68.99825	1.5
69.03448	0.7
71.01385	8.7
71.61647	0.8
72.99323	5.2
73.02946	2.6
75.00880	0.7
83.01393	1.1
83.05026	1.8
84.99317	8.4
85.02960	1.9
87.00883	9.5
87.04507	0.8
88.98810	1.1
89.02449	2.3
89.51696	0.6
93.03456	2.6
95.01391	0.9
97.06541	1.1
99.00884	1.8
99.04531	1.1
101.02458	2.7
103.00382	3.0
107.05058	0.8
108.02179	10.0
108.20375	0.6
108.60207	0.6
109.02970	3.0
112.98816	100.0
113.02431	2.7
113.99149	2.2
115.05536	0.8
117.03462	1.9
119.05024	11.2
121.02945	5.6
122.03724	2.9
123.04517	1.4
126.70252	0.7
127.00396	0.8
130.99873	2.8
131.05038	2.3
133.02962	2.6
133.06592	3.0
134.03751	16.9
135.04552	11.4
136.01743	0.9
137.02455	5.4
139.03975	1.0
145.02975	4.3
147.04532	14.2
148.05040	0.7
149.00948	3.0
149.02448	6.2
149.06094	5.8
150.03227	17.6
151.03838	1.2
152.01147	21.6
153.01791	1.3
158.03757	1.0
159.04439	1.4
160.01714	0.7
161.02385	2.1
161.04604	1.6
161.06075	3.2
163.03993	7.5
163.28435	0.7
164.04762	1.8
165.05569	20.6
166.05852	0.8
167.03490	1.7
171.04521	0.7
171.10262	6.0
173.06075	2.2
175.04042	3.3
176.04762	1.1
177.01859	1.1
177.05602	1.1
178.02696	7.9
179.03496	5.0
180.04117	1.3
189.05568	4.6
191.07111	1.4
193.05066	26.8
194.05396	1.6
195.06616	12.6
196.07030	1.0
203.03517	5.8
204.03836	0.7
205.05086	1.0
207.10307	1.6
215.03513	1.9
217.05052	2.4
219.03024	2.6
231.03076	0.7
231.10283	1.3
233.04611	0.7
235.06055	1.9
239.07030	0.9
251.16492	2.8
257.17496	1.4
267.06650	1.0
275.09296	1.1
277.03445	8.1
278.03918	0.9
282.09039	1.9
293.02942	2.9
304.10995	0.8
327.21664	0.9
341.10324	11.2
342.10815	0.8
345.16891	0.7
355.24762	4.6
357.26352	4.2
365.10489	1.0
373.25928	17.2
374.26172	1.1
383.11084	0.8
387.27637	1.1
389.12381	4.4
399.09308	2.7
415.26917	1.2
417.10336	0.9
431.13745	0.8
465.77673	0.7
475.25314	1.1
485.10892	3.0
487.25571	2.1
489.27374	3.5
505.26450	2.2
519.22577	2.7
519.32751	12.3
520.33350	0.9
651.26221	19.4
651.36743	4.0
652.27356	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12603	0.9
55.32292	1.0
57.03447	1.1
58.00601	1.3
59.01380	56.3
60.77771	0.9
61.98827	3.1
65.98533	0.9
69.03458	1.2
69.43616	0.8
71.01392	6.7
72.99302	3.1
73.02976	1.5
83.01390	1.1
85.02959	3.2
87.00871	20.7
87.01363	1.7
87.60719	0.9
89.02444	7.3
91.01914	0.9
93.03482	3.3
95.05018	1.5
95.86455	0.9
96.96021	2.5
99.00883	2.8
99.04529	1.1
101.02448	5.3
103.00377	9.1
105.03484	5.1
107.08754	0.9
108.02232	1.2
109.02968	2.6
112.98820	10.2
113.02448	3.3
116.92855	1.0
119.03503	2.7
119.05015	3.0
121.02967	3.3
123.04562	1.5
125.02444	1.1
130.99858	4.6
133.02965	39.9
134.03770	11.9
135.04538	20.7
136.01657	8.1
136.04848	3.1
137.02452	11.8
139.04013	3.2
145.02943	2.5
146.03693	5.0
147.04500	3.4
148.05328	1.0
149.00914	4.8
149.02502	1.3
149.06091	2.0
150.03242	2.0
151.04022	11.7
152.01158	1.0
159.04536	3.0
160.01698	1.7
161.02434	2.2
161.04674	1.7
161.06070	5.2
163.04004	3.1
165.05510	1.2
167.03445	3.5
175.03938	2.4
177.01932	28.8
177.05501	1.3
178.02734	22.5
179.03508	18.4
179.05608	5.3
179.06973	1.0
180.03864	2.4
181.04036	1.2
193.05069	11.0
203.03545	1.8
256.03387	1.1
271.02634	1.2
293.02692	1.1
300.02719	2.5
301.03461	2.6
301.23779	0.9
313.07202	1.5
319.63553	0.9
339.08737	100.0
340.09018	10.6
343.08466	1.6
357.13367	8.2
369.13644	1.9
370.82944	1.0
475.10025	1.6
475.16193	1.2
486.99213	1.2
487.14532	3.2
514.40924	1.0
519.14771	10.5
519.22681	1.6
520.15771	1.3
651.15210	3.6
651.24615	6.3
652.15979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1566
Annotation	Tricetin 4'-methyl ether 7-apiosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.98445	0.4
51.01461	0.4
51.92130	0.5
56.05643	0.4
57.03448	1.7
59.01375	9.1
61.98837	4.5
62.23804	0.5
63.02402	0.8
65.00345	0.5
69.65054	2.8
71.01375	3.8
72.42983	0.5
72.99317	0.9
73.02943	1.3
83.01395	1.1
85.02955	1.3
87.00884	3.4
88.98829	0.6
89.02439	2.2
93.03452	0.5
95.01382	0.5
96.96004	0.8
99.00899	1.4
99.04504	1.0
101.02460	2.4
102.78006	0.5
107.01421	1.5
107.64809	0.5
108.02158	0.9
109.02927	3.2
111.00912	0.5
112.98807	3.4
113.02441	1.5
116.92854	0.6
119.03538	0.5
119.05038	1.9
121.02965	1.1
123.04550	1.1
130.99873	1.3
133.02968	1.9
134.03728	0.8
135.04518	4.2
137.02408	0.7
137.60970	0.6
138.05582	0.6
143.05017	0.7
145.02937	1.4
146.03738	0.6
147.04517	7.6
149.00902	2.2
149.02426	0.9
149.04594	1.0
151.00316	2.6
151.03978	0.7
152.01158	1.1
159.04477	2.2
160.01656	0.7
161.02431	1.9
161.04512	0.9
161.05939	0.7
163.00380	0.9
163.03995	1.3
167.03520	0.7
171.04517	1.4
175.04034	2.3
176.04704	0.6
178.99924	0.7
179.03506	3.1
179.05656	0.5
183.04549	0.8
185.02441	0.6
187.04007	1.2
191.03484	0.6
193.05070	1.3
199.04001	3.7
201.01959	1.1
203.03571	0.6
208.01152	0.5
215.03506	1.4
216.04231	0.7
219.02946	1.1
220.03413	0.5
226.02742	2.3
227.03453	3.6
229.01373	0.6
241.10927	0.7
243.03015	7.5
254.02261	2.0
255.02823	2.5
255.10461	0.5
269.08170	1.8
271.02466	68.7
272.02853	5.0
283.02417	0.7
293.02982	0.5
295.06271	0.7
299.01959	97.9
300.02664	30.7
301.03400	6.1
301.34488	0.5
313.07196	2.6
314.04282	1.5
315.05096	17.7
315.08789	0.8
316.05371	1.0
339.04922	1.3
341.08978	0.6
353.10208	1.1
373.11502	0.5
399.07123	0.6
489.06229	1.6
489.10764	1.6
504.09039	0.8
519.11316	3.7
547.28003	1.4
563.24994	0.9
565.28619	1.7
633.21655	0.9
636.13159	6.6
637.13153	0.7
651.15607	100.0
652.15887	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	649.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88299	0.5
59.01375	1.7
59.53285	0.5
71.01375	0.7
71.62280	0.8
73.02946	0.8
73.44851	0.5
78.95898	1.3
79.84947	0.5
80.61012	0.6
83.05052	0.7
94.33424	0.5
101.02465	0.9
111.08156	1.4
115.33837	0.5
116.39859	0.5
127.81346	0.5
160.65259	0.5
165.01622	0.5
165.12851	22.3
166.13179	0.9
181.55179	0.5
183.13902	72.1
184.14236	3.5
197.15475	1.5
201.11469	0.9
207.13942	1.3
209.11844	4.3
225.14917	1.2
227.12894	100.0
228.13235	5.8
251.12894	1.6
269.13919	1.5
277.13934	0.5
277.21741	3.9
291.23349	1.4
319.23035	0.7
413.15839	0.9
455.35291	2.1
456.35938	0.5
512.14478	0.6
649.38849	1.9
650.39380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32491	1.1
53.12195	0.9
59.01378	3.6
65.94363	1.0
71.01388	2.1
77.24557	1.0
86.65386	0.9
86.66010	1.0
87.00880	3.5
89.02437	1.8
95.05025	2.5
101.02416	1.3
105.03455	10.7
107.05049	1.2
109.02932	3.3
112.98831	2.0
113.02425	1.7
119.05029	78.0
120.05329	2.4
122.36931	1.0
123.04532	3.5
126.97662	1.4
132.02162	1.3
133.02959	65.8
134.03729	3.0
135.04526	100.0
136.04816	2.9
137.02432	2.6
145.02960	3.8
149.00923	10.0
151.03998	3.9
159.04500	1.2
161.02502	1.5
163.04008	95.1
164.04323	3.1
177.01926	42.3
178.02477	3.3
179.03500	42.6
180.03760	2.0
181.01508	1.0
213.05487	1.6
235.06114	1.2
241.05026	1.5
241.08702	1.3
244.10501	1.0
269.08160	3.6
285.04108	8.9
297.09772	1.6
309.02545	4.6
312.76196	1.1
313.07129	2.3
325.09351	10.5
341.08707	37.3
342.09055	2.7
357.05750	1.2
387.10718	3.2
447.09207	4.4
475.12701	1.5
519.10895	5.0
651.11975	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	651.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.6
61.98832	2.0
63.02396	0.6
71.01393	2.7
71.61843	0.6
72.99294	1.0
73.02944	0.5
74.17209	0.5
75.00911	0.6
77.03979	0.7
83.01383	0.5
85.02951	1.7
87.00879	5.5
89.02440	2.9
93.03464	1.3
95.01395	0.9
95.05034	2.4
96.95995	0.9
99.00905	0.9
101.02435	2.3
103.00344	0.8
105.03460	10.4
109.02962	1.9
111.00949	0.7
112.98845	0.8
113.02451	2.0
115.00384	1.0
118.96307	0.6
119.03534	0.9
119.05016	0.8
121.02926	1.0
123.04503	2.5
130.99832	1.0
132.02173	1.2
133.02957	58.2
134.03653	2.3
135.04521	100.0
136.04866	3.7
137.02425	0.9
143.03520	0.9
145.02908	1.3
146.00706	0.5
146.03772	0.6
147.04495	1.1
149.00922	5.2
151.04004	2.5
159.04489	2.1
161.02467	1.7
161.04538	1.4
163.04063	1.4
169.06627	0.7
173.06013	0.6
175.02536	0.8
177.01932	36.4
178.02568	2.5
179.03484	23.5
180.03932	1.4
187.03966	1.2
193.05067	0.9
205.04936	0.7
213.05513	1.2
226.06404	1.2
229.04984	0.6
235.06140	0.8
241.04942	0.7
241.08571	1.4
243.86081	0.6
251.07108	1.5
257.04547	1.5
269.08054	3.0
285.04068	6.3
286.04385	1.1
293.02872	1.0
293.48843	0.7
297.09695	1.5
309.02533	3.2
313.07224	2.1
341.08734	39.5
342.09164	3.1
357.09790	5.0
387.10843	3.8
447.09128	4.0
448.09552	0.7
475.12140	0.7
519.11169	4.0
531.24432	1.2
549.25806	1.0
651.11945	2.5
651.22125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01377	4.2
61.98838	0.7
71.01383	1.8
71.62923	0.1
71.63290	0.1
72.99308	0.4
73.02957	0.4
73.93922	0.1
75.00851	0.1
76.34840	0.1
80.18058	0.1
83.01376	0.2
85.02953	0.5
87.00883	1.3
88.98837	0.3
89.02454	1.2
93.03448	0.7
94.57711	0.1
95.01383	0.2
99.00883	0.3
101.02444	0.5
103.00388	0.4
108.02193	0.4
109.02975	0.3
111.00913	0.1
112.98827	1.8
113.02446	0.8
116.92853	0.3
119.05009	0.8
121.02956	100.0
122.02517	0.1
122.03281	2.9
125.02431	0.2
125.41744	0.1
127.00386	0.1
130.99834	0.2
131.03523	0.2
133.02950	0.3
134.03729	0.2
135.04530	1.8
136.01680	0.2
137.02493	0.2
143.03500	0.2
147.04517	0.4
149.00926	0.7
149.02341	0.1
149.04506	0.8
150.03180	0.5
150.89632	0.1
151.03859	0.1
151.29277	0.1
152.01109	0.3
155.03520	0.2
157.59135	0.1
159.04527	0.2
161.02455	0.5
161.04671	0.2
161.06094	0.5
163.04057	0.8
165.05566	0.3
171.10237	0.3
175.03946	0.1
175.07635	0.3
177.01950	0.3
178.02686	0.1
179.03479	1.5
180.03868	0.2
187.07648	0.3
189.09172	0.2
199.07585	0.1
203.03685	0.2
203.05620	0.4
203.10797	0.6
205.05043	0.1
211.13492	0.3
215.07079	0.2
217.08685	0.1
219.02975	0.5
219.10262	1.0
228.07861	0.1
233.06580	0.2
251.16444	0.2
258.03745	0.1
277.03534	0.4
283.13416	0.2
290.15329	0.3
293.03113	0.6
308.18155	0.1
325.14420	1.0
344.16116	0.3
353.23123	0.1
355.15359	0.5
355.24869	2.4
371.24384	0.6
376.18866	0.2
383.15247	0.2
387.14108	0.1
414.11499	0.1
441.22815	0.4
473.25354	0.6
474.24942	0.1
485.22852	0.1
487.25424	0.6
491.83231	0.1
517.31067	0.5
605.35577	0.5
621.57233	0.1
649.24200	0.8
649.38855	0.5
650.25684	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
58.00588	0.6
59.01385	11.7
61.98829	1.4
64.51789	0.5
66.66595	0.6
69.39100	5.4
71.01382	8.2
72.99308	1.0
73.02950	1.5
74.56396	0.5
75.00882	2.0
81.75605	0.6
85.02939	2.9
87.00883	2.2
89.02438	6.2
95.01400	1.2
97.02934	1.7
99.00896	1.5
100.40125	0.5
101.02457	2.0
103.00341	0.7
108.02189	1.1
109.02953	2.8
112.98805	2.8
113.02456	1.9
119.05038	1.2
121.02966	4.8
123.00859	1.4
124.01645	2.7
125.02489	1.0
133.02960	1.5
134.03729	9.4
135.04544	5.9
136.01707	1.5
137.02429	1.9
138.03238	2.4
139.03986	3.2
145.02953	0.9
146.03723	0.9
147.04510	3.2
148.05325	6.2
149.00899	0.6
149.01306	0.7
149.02423	5.3
150.03223	25.1
151.03967	3.6
152.04762	1.7
159.04520	1.6
160.05290	1.3
161.06078	1.6
162.03194	1.1
163.04010	5.3
164.04759	1.1
165.05554	16.1
166.05975	0.9
173.06068	1.4
174.06789	0.8
175.03944	1.2
175.07584	2.9
177.05626	1.3
177.09213	21.6
178.06340	0.7
178.09500	1.3
179.03461	1.4
187.07678	4.1
188.08382	2.7
189.09206	29.9
190.09625	1.9
201.05592	1.5
201.09239	2.6
203.10770	60.5
204.11060	3.4
215.07109	0.8
215.10754	2.4
217.12352	0.9
229.08685	1.1
253.05066	1.4
256.03900	0.6
271.06143	4.3
281.04782	0.6
285.07541	1.1
286.08493	4.9
293.08643	0.8
296.07013	0.9
297.07596	2.7
311.09329	2.3
323.12903	2.2
324.09995	0.7
325.10910	1.6
337.14362	1.3
338.11707	1.7
339.12433	2.6
340.13120	6.2
341.13562	0.7
341.88000	0.6
353.13937	1.2
354.14648	2.6
355.15491	96.4
356.15848	8.6
387.23495	0.7
420.17935	0.8
421.16565	0.6
441.22803	0.9
473.25510	1.1
485.21945	1.0
487.25525	0.7
499.19690	4.1
517.20734	31.0
518.20801	3.2
649.24988	100.0
649.39008	6.0
650.25299	16.5
650.36023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.5
61.98827	2.6
63.14543	2.0
68.99811	2.9
69.14220	2.1
69.92243	10.8
71.01395	13.0
71.27557	1.9
72.99316	3.5
73.02946	7.3
81.03429	2.7
85.02943	7.6
87.00379	3.7
87.00875	47.7
89.03570	6.6
95.01373	5.1
96.96008	4.8
99.00887	10.8
100.92514	1.9
101.02426	6.0
109.02944	2.5
111.00866	9.9
112.98804	9.0
113.02469	2.9
115.00400	3.8
116.92923	2.7
119.05019	4.0
120.01242	3.1
123.00878	12.6
124.01633	2.6
129.01923	3.6
135.04529	7.2
137.02449	2.7
138.03224	9.2
142.99850	6.5
143.04649	3.3
149.00896	4.6
149.02357	3.3
149.06091	3.1
151.00342	4.7
151.03983	2.9
153.05597	10.5
161.02448	16.3
163.04039	14.9
164.04758	8.8
166.02667	6.9
173.00911	40.3
173.02351	3.8
174.01726	12.7
175.04027	5.0
176.04735	15.0
177.05385	2.6
178.06351	15.3
179.03513	26.3
179.07076	14.6
180.03882	2.3
181.05092	13.7
188.04834	2.5
189.05576	3.5
190.02811	4.4
191.03545	15.3
191.07079	10.3
193.08673	25.7
194.05830	25.2
199.34554	2.0
201.01987	3.0
203.03467	9.0
205.05104	7.9
206.05826	9.3
207.06606	3.7
209.08192	30.2
218.05754	4.0
219.02942	9.1
221.04370	2.1
221.08176	13.4
231.02921	4.3
233.04593	2.5
233.08250	3.1
234.05330	8.5
235.06155	3.7
237.07477	2.9
245.04532	3.2
246.05353	2.4
247.02531	11.9
249.07738	14.2
261.04019	7.0
262.04868	18.4
265.07211	17.5
276.06317	7.3
277.07141	49.5
278.07663	2.3
291.08771	3.0
295.08298	2.7
307.75568	2.4
337.09241	68.4
338.09695	4.7
383.10748	2.1
469.13483	4.6
481.13654	4.4
563.16083	22.8
564.16962	2.8
605.17236	100.0
606.17682	15.5
649.17505	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.4
59.01376	28.0
59.37089	1.6
61.98823	8.2
65.03861	1.2
68.99837	1.9
71.01382	14.6
71.62563	1.6
72.99306	3.4
73.02941	4.9
75.00849	2.1
81.07111	2.2
83.01393	5.0
85.02937	5.7
87.00876	15.5
89.02452	5.0
93.03412	1.4
95.01371	2.1
95.04990	3.3
99.00861	2.6
100.44318	1.4
101.02425	7.6
103.00397	2.2
107.05128	1.6
108.02139	3.4
109.02940	6.6
109.06590	1.9
111.08160	4.1
112.98826	20.9
113.02453	5.3
115.92025	1.9
116.92833	8.9
117.03436	2.1
119.03550	1.9
119.05029	15.5
121.02952	4.4
122.02482	6.4
123.04499	3.1
123.08173	12.0
124.01656	16.6
125.02457	4.2
125.06117	1.9
130.99866	2.3
133.19460	1.5
134.03755	3.2
135.04533	12.3
135.08174	7.0
137.02438	2.1
137.06079	2.1
141.09196	4.3
142.39452	1.5
145.02983	3.6
147.04500	5.1
149.00928	6.3
149.02380	2.3
149.06097	3.2
150.03203	4.4
152.01196	2.8
153.01927	4.5
153.05566	2.5
159.04510	1.5
161.02458	3.7
161.04623	2.4
163.04030	10.8
166.02733	2.4
167.03540	2.9
170.37038	1.6
175.03961	3.7
176.01154	3.4
179.03482	6.1
179.07138	18.7
191.03514	5.4
191.07086	3.0
197.11874	1.9
201.11313	2.2
203.03557	9.7
209.08189	100.0
210.08585	4.3
215.03526	1.6
219.02734	2.2
238.04773	1.7
277.03555	9.8
283.10815	4.7
293.02948	1.6
315.07294	3.4
325.20145	2.0
353.10556	2.0
355.15350	2.9
358.67642	1.8
371.24387	1.9
383.11209	1.9
383.24057	2.6
401.12418	8.3
401.25412	5.4
423.21933	2.0
441.22910	4.1
473.25186	4.3
517.18164	2.3
517.30292	20.7
529.30420	2.9
605.18658	30.8
605.28003	2.7
606.19153	4.7
649.37762	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	649.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72758	1.0
57.03432	1.6
58.00602	1.4
59.01094	2.2
59.01381	41.9
61.98826	7.6
65.00319	1.9
66.89642	0.9
67.00496	0.9
68.99818	4.6
69.03474	1.2
70.18357	2.9
71.01382	13.3
72.99312	14.4
73.02940	4.3
77.84330	1.1
78.40466	1.0
80.91718	1.0
83.01393	3.3
84.99318	5.9
85.02951	4.4
87.00881	32.0
89.02439	4.7
93.03465	2.7
95.01385	1.9
95.05073	1.0
97.02959	1.4
97.06593	1.4
98.19838	1.2
99.00873	2.9
101.02470	6.9
103.00368	18.0
107.05011	1.2
108.02168	3.5
109.02946	5.7
111.00864	2.1
112.98816	100.0
113.02446	4.2
113.99154	2.2
116.92834	1.8
117.03467	9.4
119.05030	74.8
120.01253	1.0
120.05364	2.2
121.02969	6.7
123.04532	2.8
123.08157	1.4
125.02425	2.8
127.00397	7.7
129.03452	3.0
130.99863	11.4
131.05055	1.6
133.02956	5.2
133.06569	1.6
134.03778	5.0
135.04536	29.9
136.04834	1.2
137.02432	4.5
139.00357	2.2
139.03993	2.1
143.03546	1.3
143.04984	5.9
145.02953	36.1
146.03207	1.0
147.04520	25.1
148.01633	1.3
148.04973	2.3
149.00912	10.5
149.02179	1.5
149.06084	2.3
150.03224	2.6
151.04034	1.1
152.01122	3.8
153.01930	4.0
154.99782	1.4
159.04523	2.4
161.02472	5.5
161.04622	2.3
161.06071	5.8
163.04012	34.8
164.04453	1.4
165.05505	2.9
167.03464	1.4
171.04507	1.5
173.02405	1.6
174.03123	2.1
175.03998	19.0
176.04544	1.3
177.05551	1.5
178.02731	2.3
179.03493	19.2
181.05014	1.1
187.04001	2.5
189.05563	1.9
190.02621	1.2
191.03493	1.9
191.07111	1.2
193.05086	1.6
203.03496	64.7
203.10759	1.1
204.03912	3.1
204.07567	1.1
205.05046	2.5
209.08168	1.8
215.03490	14.1
219.02982	6.9
233.04539	4.0
239.06955	1.8
249.05644	1.3
250.06226	2.2
251.07039	3.1
259.02444	9.1
262.06424	1.1
263.07141	2.2
266.05795	1.7
267.06635	7.4
277.03525	59.2
278.03922	3.8
279.06604	3.8
281.08362	1.3
282.08887	3.6
283.09402	1.5
293.02890	7.2
293.08066	2.3
294.05508	2.2
294.08762	2.4
295.06076	1.7
295.22952	1.1
297.11264	1.9
308.06931	1.5
309.07678	3.4
310.08170	1.6
321.07584	1.8
322.08713	2.2
323.05722	5.1
323.09015	2.0
326.07898	2.1
327.12558	1.3
335.09259	1.2
337.07071	1.7
338.08063	6.6
339.12213	1.5
341.10309	19.8
342.10529	1.4
353.10263	36.9
353.13940	3.5
354.10446	3.2
354.14264	6.3
355.14783	5.6
355.24887	12.2
365.06561	1.8
371.11267	4.6
371.24445	2.6
383.11276	2.0
387.14249	1.2
395.11240	6.5
401.12341	2.0
405.15475	1.1
411.10672	2.1
441.22751	3.3
485.10379	1.3
487.25473	11.5
503.12018	5.0
517.30298	11.2
518.30884	1.5
591.25018	1.2
605.18829	2.9
649.27362	3.2
649.39520	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	649.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87657	0.5
57.03445	1.7
59.01380	9.9
61.98828	16.3
69.26639	3.1
69.27061	2.3
71.01375	3.6
72.99310	2.0
73.02947	1.4
82.40376	0.5
83.01394	0.8
85.02966	2.4
87.00880	7.3
89.02452	2.0
93.03474	0.7
96.96012	3.3
99.00873	1.8
99.92590	0.7
101.02439	2.7
103.00377	0.7
105.01935	0.6
107.05038	1.3
108.02180	1.1
109.02954	1.6
110.65963	0.7
111.00845	0.8
112.98811	3.5
113.02456	2.3
115.00433	0.5
115.92076	0.6
116.92859	1.5
117.03504	0.6
119.05033	2.7
121.02975	0.8
123.04507	1.2
125.02377	0.6
130.99840	1.2
132.02164	1.3
133.02948	2.4
134.03746	7.0
135.04526	94.8
136.04829	3.4
137.02443	2.9
137.06056	0.7
145.02986	1.6
147.04492	0.7
149.00914	9.4
149.04921	0.7
149.06067	3.7
150.03244	1.0
151.04018	1.1
152.01172	0.8
155.08183	0.6
159.04518	1.0
160.01636	3.5
161.02464	5.0
161.04546	1.4
163.03979	3.1
165.01932	0.6
165.05525	1.5
175.03992	9.0
177.05579	6.1
178.02661	0.9
179.03496	100.0
180.03908	5.0
191.03487	0.7
193.05057	3.7
195.06674	2.1
203.03401	0.6
205.05014	0.6
205.55676	0.7
207.10252	1.2
219.02930	1.3
221.04608	2.8
261.11304	0.8
261.35785	0.6
267.10980	1.4
269.04431	1.9
271.02487	2.4
293.02930	0.8
300.02744	1.5
301.03329	0.7
305.10367	1.5
307.04840	0.8
307.08273	0.8
308.13037	0.5
309.11768	1.4
311.04559	0.6
311.07803	3.3
323.07724	0.9
337.09271	13.8
338.09442	0.7
341.08679	7.1
361.16632	0.8
381.08035	1.2
382.94934	0.9
383.95499	0.6
417.10410	0.8
455.08310	1.8
463.08804	5.4
463.51703	0.6
473.14505	10.7
474.14725	1.3
487.12512	1.1
517.13464	21.4
517.22675	6.3
518.14093	3.7
559.14343	1.2
587.01941	1.2
605.14899	0.7
605.26935	0.7
649.17236	2.0
649.30377	1.3
649.95905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.9
58.00574	1.5
59.01382	56.4
61.98829	1.6
67.01881	3.1
68.99815	4.2
69.47321	10.6
69.55618	1.3
71.01384	8.0
72.99303	11.9
73.02950	3.9
83.01358	1.8
84.99313	1.3
85.02962	4.4
87.00879	32.3
89.02419	1.7
96.96015	2.8
96.99320	3.3
99.00887	4.0
99.04502	2.2
101.02442	7.5
103.00381	9.3
107.05015	2.5
109.02971	8.7
111.00868	4.8
112.98814	10.3
113.02476	2.4
115.48881	1.4
119.05021	3.0
121.02962	1.5
127.00388	17.9
130.99847	6.0
133.02980	9.0
134.03714	4.0
135.04527	91.1
136.04855	2.4
137.01411	1.3
137.02437	6.6
139.00377	3.3
142.99821	2.5
145.02896	2.5
147.04466	3.0
149.00917	100.0
150.01294	2.3
150.03197	1.6
151.03999	2.2
154.99841	1.6
159.04425	2.5
160.01591	2.0
161.02435	28.3
161.04552	2.8
163.04010	10.8
165.05536	1.6
173.02480	2.2
175.03963	4.3
175.50189	1.4
177.05656	2.0
179.03503	74.4
180.03900	2.6
187.04060	1.4
191.03535	9.4
191.05026	1.9
195.06683	2.2
198.98810	3.5
205.04964	2.4
216.99934	1.5
219.02983	31.3
221.04526	3.1
231.03030	8.5
267.10840	2.4
269.04337	1.3
269.10239	4.1
275.01947	3.0
293.03043	56.4
294.03250	4.2
307.80487	1.4
311.04135	8.8
311.11368	17.0
337.09387	4.4
341.09045	1.9
355.10333	1.5
395.09946	1.4
410.19583	1.4
457.62061	1.5
469.09586	2.2
473.14172	3.8
487.11075	9.5
517.13501	5.6
517.22668	7.0
649.26398	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03442	4.6
59.01381	44.3
61.98821	2.5
67.36334	1.4
71.01386	11.5
72.99311	4.2
73.02942	4.4
83.01368	2.5
85.02956	5.9
87.00870	16.8
89.02455	3.8
93.03481	1.8
95.01405	2.0
96.96011	32.4
98.95593	18.0
98.96464	3.0
99.00864	2.0
99.92587	31.2
100.92633	2.2
100.93313	1.9
101.02446	10.9
103.00365	1.9
105.05603	2.5
107.01380	1.7
107.05049	2.2
109.02953	1.7
112.98793	14.9
113.02467	7.5
115.92082	12.0
116.92860	37.6
117.03421	1.3
117.92846	1.8
119.03431	2.1
119.05030	3.7
121.02958	2.3
121.06595	1.4
123.04541	2.5
129.73895	1.5
130.99872	2.3
132.02165	2.4
133.02963	5.1
134.03725	9.1
135.04524	91.3
136.04825	2.5
137.02435	5.4
141.93649	2.2
145.02946	4.0
149.00882	8.9
149.06050	9.2
150.03249	2.0
150.08896	1.4
151.00377	2.7
152.01105	1.5
159.04422	1.6
160.01660	4.7
161.02438	18.9
161.04539	4.7
161.13417	1.6
162.03006	1.4
163.04030	4.5
175.04060	7.9
177.01901	2.4
177.05589	13.9
178.02690	3.3
179.03496	100.0
180.03885	2.5
184.91827	3.0
185.06012	1.5
187.03883	2.1
187.11339	2.8
188.04800	2.1
193.05058	5.1
196.20468	1.4
199.04109	1.8
205.12323	4.9
207.10222	8.8
219.02977	2.1
221.04530	22.4
223.13411	4.1
224.40193	1.5
226.02676	2.6
227.03423	2.1
231.06627	9.0
233.04616	4.9
241.01511	3.7
242.02141	1.8
243.02815	3.4
244.97685	1.9
249.09558	7.7
255.03009	3.8
267.10812	13.0
268.95383	1.9
270.01764	1.9
271.02472	14.7
272.02582	1.8
283.94370	1.6
296.94910	3.4
297.95447	1.6
298.04642	1.6
298.96475	1.9
299.01968	29.8
300.02536	6.9
301.03360	2.7
307.04544	6.0
307.07831	1.7
308.95258	1.5
309.11917	12.6
310.96338	2.8
312.94061	2.1
313.06985	1.8
323.07816	2.4
323.93631	2.1
324.94406	3.7
325.95236	6.7
326.96039	5.3
327.96405	1.8
336.94565	2.0
337.09244	4.9
338.95889	2.6
339.97083	1.9
340.94003	3.2
341.08752	12.2
352.94043	9.1
353.94614	9.0
354.95493	18.4
355.96030	5.4
356.93384	1.6
369.94089	2.5
370.94995	6.4
380.93350	4.7
381.94196	7.4
382.94922	32.5
383.09918	12.2
383.95667	16.4
384.96689	8.3
395.95657	1.7
396.96387	2.6
398.94528	5.9
409.85495	1.6
410.94547	3.1
411.95169	4.6
412.96170	2.6
441.95987	2.3
446.98285	1.6
455.08673	3.6
463.08688	2.7
469.63071	1.6
473.14447	1.7
480.98611	3.1
494.99594	2.4
508.97980	4.5
510.99698	15.5
512.00092	2.7
517.13593	14.6
517.22864	43.8
518.23126	2.7
526.99152	50.6
527.99554	9.6
529.01007	6.3
533.22339	5.9
569.00232	4.8
587.01355	49.5
588.01569	9.6
605.02655	8.6
605.25262	1.4
606.02637	2.1
612.99243	22.7
613.99481	3.2
631.00055	8.7
632.00372	1.6
649.23328	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	648.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
60.78705	0.4
61.98831	100.0
70.60712	0.4
71.61929	0.7
78.95931	0.4
91.82574	0.4
162.77649	0.4
176.23015	0.4
227.12973	0.7
231.63747	0.4
311.80042	0.4
311.83755	0.4
628.66040	0.4
628.76605	0.5
648.38672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37400	1.5
57.03457	2.3
59.01089	2.4
59.01380	40.4
61.98829	13.3
64.99339	1.4
65.61879	1.4
69.43587	2.8
69.43998	8.9
71.01379	12.4
72.00903	4.9
72.99294	5.1
73.02941	6.0
75.00800	1.6
75.98727	1.4
79.25408	1.4
83.01390	3.3
83.96582	1.8
84.99320	1.8
85.02950	6.0
87.00875	12.0
88.98804	2.0
89.02449	5.4
93.03462	11.1
94.03012	1.4
95.01382	2.4
96.96002	1.8
97.02922	1.6
99.00860	2.6
101.02415	8.3
103.00385	4.1
107.05060	1.9
108.02158	4.1
109.02953	5.7
111.00887	1.5
112.98807	14.4
113.02448	5.6
114.02818	1.3
116.92964	2.9
117.03458	3.3
119.05035	80.6
121.02949	9.1
123.04507	1.9
125.02438	3.0
133.02975	3.0
134.03757	3.5
134.06140	15.5
135.04552	8.6
137.02455	4.2
138.05600	1.8
145.02962	1.9
147.04527	2.3
149.00890	5.9
149.02156	1.6
149.06024	1.3
150.03209	3.2
151.00388	1.5
152.01125	4.7
153.01907	3.7
159.02832	1.6
159.04541	1.6
161.02455	2.9
161.04614	1.9
163.03995	12.6
165.05611	2.7
177.05542	1.4
179.03481	4.0
180.06671	33.5
181.05138	1.6
181.06859	2.0
193.05124	2.9
203.03447	2.7
209.08235	1.6
219.02802	1.9
225.05620	1.5
277.03455	2.4
353.10284	4.4
354.10565	6.0
400.24835	2.8
401.25323	3.5
447.64023	1.5
473.25186	1.8
516.28748	2.9
517.30133	9.3
544.29108	3.2
545.29895	2.6
562.30023	12.5
563.30426	4.1
604.31293	100.0
605.31604	16.8
623.87726	1.6
649.23767	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	647.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69301	0.8
53.53431	0.8
54.82078	0.9
55.01873	0.9
57.03426	2.1
59.01375	5.5
61.98851	1.4
68.99799	3.1
71.01384	5.1
72.99285	3.8
73.02937	1.2
74.02464	2.9
75.00855	2.4
78.95908	1.8
83.01365	2.8
84.51218	1.0
85.01003	1.7
85.02934	2.3
86.05052	1.0
87.00882	2.9
88.98782	1.7
89.02485	1.3
96.96016	6.2
96.96975	1.8
96.99284	1.4
98.00066	1.1
99.00862	3.8
101.02422	2.4
103.00359	2.0
106.60556	1.1
111.00870	1.9
112.98803	6.4
115.00354	2.6
115.02069	2.1
116.03516	1.4
119.05001	1.2
124.98778	1.2
125.02444	1.6
129.01910	2.0
133.02983	1.6
135.04532	13.8
137.02486	1.3
142.99788	3.0
145.01407	4.5
145.02969	1.6
149.00888	3.5
149.02428	3.1
151.03998	1.3
153.05463	1.1
157.01389	3.4
161.02397	1.8
163.03999	4.6
164.04762	3.0
166.02740	1.1
168.99452	1.1
171.01036	3.7
173.00940	1.2
175.02507	1.8
177.01910	2.7
179.03493	14.2
179.07095	3.0
181.05042	2.4
187.02379	1.4
187.03961	1.4
191.03432	4.5
193.05031	1.7
219.03011	2.1
221.08087	1.4
222.35539	1.0
231.03027	3.7
233.08211	1.4
234.05351	3.9
235.06027	1.2
237.07533	1.1
243.02875	2.0
246.05301	2.8
247.05984	1.3
249.07687	5.0
250.80174	1.0
261.08521	3.9
263.05804	9.7
263.08575	1.4
265.07172	1.8
275.82956	1.1
276.06375	2.7
277.07050	1.7
279.08856	1.5
291.08728	10.5
303.08752	1.4
309.09857	3.6
317.08151	1.5
335.09222	3.1
339.10742	2.5
341.08783	4.6
383.09906	1.2
503.14459	1.4
555.15381	1.6
580.65491	1.1
603.17389	3.1
615.13428	2.2
647.16388	100.0
648.16754	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	647.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96624	0.9
55.83532	1.0
57.03453	1.8
58.00605	1.0
59.01379	28.4
61.98822	4.2
69.03423	1.5
69.89855	5.9
71.01402	5.3
71.05025	3.9
72.99297	3.0
73.02944	1.7
75.00897	1.3
83.01388	1.5
83.05011	1.6
84.99295	2.5
85.02930	2.7
87.00880	15.4
87.04525	5.9
89.02445	2.2
93.03427	1.1
97.02976	1.2
99.00874	1.7
101.02451	3.2
103.00385	8.4
109.02947	4.5
111.08106	1.5
112.98813	24.8
113.02446	2.1
119.05027	15.2
121.02952	2.9
123.19493	1.0
127.00372	6.6
130.99892	5.3
133.02971	7.0
134.03783	5.0
135.04524	100.0
136.04878	3.6
137.02420	6.3
137.09679	1.5
139.00378	2.9
141.12828	2.9
145.02971	1.6
146.92027	1.4
149.00912	2.9
149.06076	1.2
150.03183	1.3
151.03976	1.4
153.12817	1.7
159.04443	1.2
159.08151	1.8
161.02440	17.7
162.02843	1.2
163.04005	10.4
165.65807	1.1
169.12334	2.1
177.05602	1.1
179.03494	66.2
180.03844	4.0
181.12288	1.1
183.13904	2.7
187.04036	1.6
191.03528	6.6
196.81017	1.0
203.03464	1.3
203.07130	3.2
205.05125	1.9
219.02971	22.8
220.03200	1.3
221.04536	1.1
221.08229	4.1
221.19106	1.1
231.02982	4.2
251.20125	1.1
265.21753	5.0
275.01953	2.6
277.03479	1.2
293.03024	36.6
294.03152	1.3
309.24310	2.8
315.34769	1.0
323.12888	19.4
324.13174	1.3
353.23322	71.0
354.23669	7.5
377.23224	1.9
453.16165	1.1
485.23901	41.8
485.30896	2.2
486.24359	6.1
515.28900	1.4
603.33954	1.2
647.36737	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	641.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87947	1.7
58.75762	1.8
59.01381	10.8
61.98834	100.0
69.03464	6.4
69.73967	1.7
71.01376	5.7
71.05058	1.7
71.17437	3.5
74.88821	1.7
83.35643	1.7
85.85935	1.8
89.02444	3.3
97.02964	20.9
97.06585	2.3
99.00854	1.9
101.02420	2.0
107.05082	2.1
111.08122	1.9
112.98830	1.9
113.02314	2.3
116.11388	1.8
125.09711	3.8
137.09711	10.1
163.11269	5.8
165.12843	6.8
171.10249	5.7
183.13954	3.6
193.08424	14.8
197.11873	2.1
207.10120	4.4
208.10983	1.9
209.11797	4.7
211.13356	19.2
215.10469	2.4
225.11464	2.0
227.12769	3.1
233.11613	4.3
247.20578	4.3
287.16617	2.0
291.19662	49.5
292.20013	5.1
309.20728	82.5
310.20923	4.8
313.17819	6.0
325.25455	2.0
331.18774	7.9
367.77908	2.1
387.25284	5.2
405.26450	6.9
513.25848	2.0
641.39899	36.6
642.41467	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	642.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98830	100.0
71.01383	0.5
71.61529	0.3
91.93015	0.2
95.01410	0.3
100.54520	0.3
111.08174	0.8
121.02966	0.4
137.09752	0.4
146.08856	0.3
146.66467	0.3
147.11911	0.4
165.12868	0.3
169.12347	0.4
197.11792	3.3
198.12128	1.2
202.14272	0.3
211.13431	0.7
212.13737	0.3
215.10602	0.3
233.11609	3.4
234.11868	1.3
291.19733	0.6
292.20078	0.6
309.20728	3.0
310.21146	2.6
331.19003	0.4
332.19202	0.4
502.72531	0.3
521.68616	0.3
528.00311	0.3
567.53864	0.3
642.40430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98832	100.0
62.84868	0.5
64.66624	0.4
71.61303	0.5
71.71485	0.5
77.61074	0.5
78.95934	1.2
92.87026	0.4
107.74222	0.4
107.75073	0.4
112.77667	0.4
186.86560	1.0
203.19656	0.5
315.12039	0.4
429.39938	0.4
451.00940	0.5
492.26730	0.5
538.36182	0.4
570.15027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38347	2.1
59.01358	7.4
61.98833	23.6
67.67192	2.4
69.03449	3.2
69.81233	14.8
85.02952	2.8
97.02950	14.9
112.98802	4.4
125.09705	3.3
135.04504	3.6
137.09734	3.8
152.60677	2.1
162.37077	2.7
163.11172	2.6
165.12831	5.6
171.10287	5.8
193.12280	2.9
193.15921	2.8
207.10318	2.8
227.12811	4.5
247.20706	7.7
273.27203	2.9
291.19672	55.4
292.19952	5.9
309.20721	100.0
310.20972	10.1
385.16336	3.5
385.25833	3.8
436.57703	2.9
531.33264	2.4
646.36719	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	641.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36350	0.3
57.04182	0.3
59.01380	2.6
61.98836	6.6
69.03450	0.5
71.00978	0.3
71.01379	1.8
71.61549	0.4
85.02908	0.4
89.02444	1.4
94.27409	0.4
97.67484	0.4
99.70456	0.3
101.02446	1.1
104.99200	0.4
113.02423	0.8
119.03494	0.5
137.02406	0.5
161.04587	0.7
173.04538	0.4
179.05557	0.6
183.13907	7.0
193.12358	1.6
200.46527	0.4
207.10208	0.4
211.13394	100.0
212.13712	4.6
221.15295	0.4
225.11372	0.5
235.08270	1.5
253.09305	4.0
262.46616	0.4
387.25500	0.9
403.89911	0.3
417.53311	0.4
447.22382	5.4
623.34680	0.5
641.34875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46331	1.5
57.03452	3.0
59.01371	7.0
60.76465	1.4
61.98837	62.5
69.03449	8.7
70.58829	4.7
71.01373	6.1
77.13314	1.3
78.80698	1.6
83.05038	2.0
84.69344	1.6
85.02928	1.9
87.00883	1.9
88.27195	1.4
89.02489	2.7
89.34263	1.8
95.04978	1.7
96.95969	1.7
97.02959	29.0
97.06546	1.6
101.02451	2.3
107.05064	2.0
109.06595	1.7
112.98824	2.5
119.08656	1.7
121.02837	1.9
125.09702	4.0
137.09741	12.0
149.00912	2.4
163.11298	3.2
165.12854	10.1
171.10234	7.9
179.14435	2.1
181.12332	2.4
183.13960	2.0
193.08456	14.5
193.15913	1.7
207.10059	5.1
209.11876	4.5
211.13371	12.3
215.10446	3.0
223.13394	2.2
227.12894	4.4
233.11578	3.6
247.20631	6.7
273.18579	3.8
287.16452	1.8
291.19684	63.0
292.20007	5.9
309.20737	100.0
310.20975	8.2
313.17871	10.1
331.18823	12.5
375.17624	2.4
387.25327	4.9
405.26489	5.7
493.22159	1.9
567.22314	2.9
641.41254	58.2
642.41858	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	641.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01380	4.7
60.90106	1.4
61.98846	3.8
62.67856	1.2
69.03471	1.9
70.60300	2.9
71.01397	2.0
108.88501	1.4
111.08177	22.8
117.45680	1.2
151.11287	4.5
153.12895	2.1
163.11282	1.9
165.12935	2.0
169.12325	6.7
183.13844	1.5
197.11844	67.8
198.12175	2.5
199.09480	1.2
199.13380	2.8
206.82254	1.5
211.13385	15.1
215.10655	1.7
219.10027	51.0
220.10423	1.6
233.11581	19.5
233.13707	2.1
263.20102	3.2
287.16336	1.7
291.19675	13.5
292.20084	1.5
309.20740	100.0
310.21097	8.0
331.18890	26.6
332.19067	2.1
375.17850	3.1
445.24823	1.5
587.79248	1.4
641.40839	11.8
642.40222	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	641.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95703	2.6
59.01381	17.9
61.06480	2.8
61.98836	64.5
71.00430	5.7
71.01382	8.8
80.47909	2.8
83.05051	3.7
90.00812	2.4
96.96026	3.7
97.02974	8.3
101.02460	4.7
112.98809	3.4
177.12868	5.0
181.12447	4.0
183.13907	3.7
195.13881	5.6
197.11816	5.2
211.13391	70.0
219.10001	7.2
221.15558	5.1
223.13412	4.9
245.11612	53.0
253.09154	4.2
291.19647	20.7
309.20731	100.0
309.44305	3.1
310.21072	6.4
331.18863	10.9
377.79218	2.7
405.26453	9.1
447.22891	3.1
603.55170	2.9
641.25372	5.0
641.35785	29.2
642.35413	5.7
648.03601	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	641.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03445	1.7
59.01093	1.3
59.01375	20.7
61.98826	5.6
69.03442	1.1
70.99866	1.6
71.01379	14.8
71.05009	2.5
72.99286	1.8
73.02940	2.3
78.55948	0.7
83.01384	1.7
85.02934	3.2
87.00883	5.3
89.02437	10.3
93.03448	0.9
94.03786	0.8
95.01361	0.8
96.96002	2.4
97.02941	4.2
97.06578	0.9
99.00887	10.9
99.04496	1.1
101.02431	9.4
103.00377	1.0
108.02172	1.0
109.02930	2.6
109.06576	1.2
112.98798	1.0
113.02430	3.8
115.00325	0.7
119.03479	2.9
119.05011	2.1
123.04508	1.1
123.08149	1.3
125.02455	6.5
125.09742	4.3
128.03351	0.8
133.02968	1.3
135.04530	7.6
137.02449	1.1
142.02644	1.0
143.03529	1.3
145.10143	0.8
148.36789	0.8
149.00903	2.4
151.04013	1.4
152.01114	2.9
153.12851	0.8
160.72572	0.7
161.02434	1.5
161.04567	1.9
163.04021	1.6
163.11308	6.6
165.05641	0.9
167.03503	1.2
171.10271	1.5
173.76938	0.9
179.03499	10.7
179.05612	1.2
180.03699	1.3
181.12325	14.4
199.13400	14.2
200.13750	1.0
207.10251	24.7
208.10597	1.4
221.06580	1.5
225.11314	46.3
226.11638	2.7
235.08319	1.4
243.12349	18.7
269.13788	0.8
297.27615	0.8
300.64429	0.9
397.13504	2.3
415.14667	2.6
418.10614	1.0
509.13702	0.8
509.27982	1.1
537.32574	1.8
623.25342	16.1
624.26288	1.6
641.26599	100.0
642.16583	1.3
642.26831	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	640.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.4
61.98832	100.0
62.29636	0.5
69.88613	1.2
69.89011	1.3
71.01386	1.3
81.74390	0.5
82.86330	0.5
98.19901	0.5
109.29902	0.5
110.77766	0.5
112.98827	1.0
113.02439	0.5
114.01417	0.6
135.04480	0.6
172.06502	0.6
181.00557	0.5
183.13992	0.7
199.74593	0.5
207.10167	0.5
209.11859	0.5
211.13390	7.3
351.36945	0.5
370.50662	0.6
463.94257	0.6
544.62189	0.5
635.01569	0.5
641.34882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56011	1.2
57.03441	1.9
59.01094	2.4
59.01381	45.7
59.40968	1.5
60.33939	1.5
61.98830	20.2
67.04445	1.3
67.04814	1.2
71.01389	19.1
72.99287	2.8
73.02941	4.4
75.00864	1.4
79.95733	5.9
80.05069	8.0
80.96519	4.9
85.02935	3.7
87.00861	5.1
89.02443	4.9
91.04961	1.3
93.03458	3.9
94.98096	4.0
95.01415	1.5
95.05000	1.6
96.96035	2.1
98.20631	3.4
99.00882	2.4
101.02441	5.3
103.00354	2.5
104.05049	2.4
106.06593	2.3
107.03767	5.6
108.02197	2.9
109.06583	1.9
112.98840	7.3
113.02438	5.1
119.04958	1.9
120.08183	2.5
121.05289	3.1
122.05299	2.6
122.06125	37.2
124.07748	1.5
125.02409	1.8
126.05872	1.6
132.04576	3.8
133.02979	1.7
134.03844	1.8
134.06128	11.7
134.96350	1.5
135.04529	3.6
137.02452	10.0
139.02737	3.7
149.00948	2.7
152.01129	2.5
152.07170	46.7
160.06473	7.3
160.52480	1.3
161.04665	2.8
163.03996	2.5
163.11227	1.6
171.10291	2.9
174.05603	6.2
183.13991	1.5
190.05090	3.1
197.11719	1.9
201.11340	3.1
207.10202	4.5
208.47417	1.4
209.12021	1.5
211.08661	1.8
211.13374	5.1
213.10344	32.2
214.10666	2.2
223.08885	1.7
225.11513	9.2
226.11211	4.5
237.10286	2.1
239.11931	21.8
240.12181	2.1
241.13455	18.3
242.13980	1.4
245.12958	9.2
251.11746	1.5
265.09851	3.3
267.11319	1.9
280.21906	1.4
285.12457	66.2
286.12711	3.9
293.12943	9.1
295.10861	4.2
310.03369	1.4
313.11945	5.6
323.10333	12.7
324.10837	1.6
325.11789	3.7
328.10965	3.8
331.19095	5.4
332.17508	1.9
342.12561	1.8
343.13358	2.7
344.13828	3.1
355.12949	5.4
356.13599	1.7
356.17661	2.4
357.14777	3.0
358.15616	22.6
359.16171	2.9
369.14304	1.6
370.11456	3.0
384.13422	4.8
385.14120	1.5
397.13370	3.4
400.16678	17.3
412.16525	5.5
415.14459	2.4
471.15503	6.7
497.25583	3.8
509.21716	1.9
523.23389	15.6
524.23993	2.7
527.28894	1.4
528.17780	1.5
549.21454	1.8
565.24561	100.0
566.24780	16.4
568.23230	2.0
609.23541	88.8
610.23773	17.0
623.33673	1.9
641.25983	24.6
641.35834	4.6
642.26074	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.3
59.01376	15.8
61.98843	7.0
67.08894	4.2
67.24332	3.8
70.39463	4.5
71.61848	4.3
80.02689	7.4
81.03461	7.4
83.01405	8.8
95.05039	6.3
97.06582	8.0
106.04198	4.6
109.18842	4.0
112.68594	4.1
123.04543	10.2
123.08139	8.1
125.09731	20.7
135.08115	6.2
137.09712	7.9
145.03020	6.8
149.06084	5.0
163.11293	22.1
165.12901	9.4
171.10248	5.1
185.11835	13.8
186.26295	4.2
191.10814	8.8
191.14442	15.2
207.10194	14.9
209.11827	100.0
225.11319	8.7
231.10016	84.2
245.19043	31.5
289.18106	97.1
290.18423	9.4
291.19696	5.9
294.30872	4.3
307.19162	84.8
308.19531	8.0
317.17303	13.6
329.17505	34.6
637.37421	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	637.4321
Annotation	Sanchinoside B1
Peak:m/z	Relative Intensity
58.00594	3.5
59.01382	63.2
61.98826	8.8
71.01385	83.8
72.99313	4.8
78.95888	13.3
80.96506	2.8
83.01337	2.3
85.02960	5.7
87.00905	2.4
89.02449	100.0
95.01354	2.8
98.19888	6.4
101.02448	25.8
113.02449	20.0
119.03519	13.5
131.03484	6.0
140.25357	1.8
143.03503	7.5
149.04492	5.2
152.99597	5.6
161.04564	9.1
171.00636	2.8
177.81952	2.2
179.05614	42.2
216.10466	1.9
284.12180	2.6
315.18011	2.1
315.67722	2.5
457.36874	72.3
458.37271	11.7
555.28162	5.3
637.28516	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	639.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14807	0.4
57.03442	0.5
59.01382	4.5
61.98826	1.7
69.64507	2.4
71.01386	3.8
72.99316	0.6
73.02944	1.3
78.11701	0.4
85.02966	2.1
87.00869	2.2
88.98785	0.6
89.02430	2.0
93.03456	1.4
94.07520	0.4
95.01381	1.5
99.00887	0.8
101.02448	1.6
107.05016	0.5
108.02177	42.1
109.02971	17.5
110.03273	0.5
112.98825	1.5
113.02452	1.0
117.03466	1.3
118.14627	0.5
119.05048	2.2
121.02953	0.6
123.00879	1.3
123.04498	0.9
125.02448	0.7
131.05019	0.5
133.02933	1.1
133.06549	0.7
135.04530	5.1
136.04890	0.7
137.02449	1.2
137.06059	0.5
143.05017	0.6
145.02937	0.6
149.00899	2.1
149.06087	1.2
151.04015	2.8
152.01155	76.4
153.01913	4.1
153.05606	0.5
159.04543	0.7
161.02432	1.0
161.04491	0.5
163.04018	4.6
163.41505	0.4
165.02058	0.4
165.05455	0.5
167.03494	0.4
175.03957	0.6
177.05624	0.9
179.03551	2.3
179.05661	0.5
181.05067	0.7
183.59421	0.4
197.04608	0.8
197.11794	1.2
203.03532	0.9
211.13377	1.6
229.17812	0.4
239.05626	1.0
241.07137	4.0
279.75299	0.4
283.09766	0.5
285.06134	2.5
297.20428	0.4
299.01910	0.9
327.08795	2.5
373.11288	1.5
399.09290	1.0
417.10373	100.0
418.05447	0.9
418.10727	9.9
459.11496	3.2
477.23083	0.9
496.39532	0.5
507.14014	0.6
507.27988	1.9
552.69843	0.5
579.24347	0.7
615.54785	0.5
639.15802	7.6
639.25397	2.1
640.15796	1.2
640.25958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	39.6
61.98841	8.7
71.01383	51.3
71.61632	5.0
87.00882	5.6
89.02449	8.3
97.02972	5.7
101.02435	9.6
109.06600	35.3
113.02414	6.1
120.29164	4.3
135.08157	4.5
163.11290	17.2
171.10249	11.3
176.84854	4.0
185.11839	7.1
197.74876	4.0
198.64868	4.0
201.11333	7.9
207.10255	100.0
225.11310	51.7
239.12003	6.4
243.12534	4.1
253.09315	17.6
281.49005	4.1
293.44516	4.4
461.20508	24.8
462.20953	11.3
544.01947	4.5
595.25623	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97022	1.1
55.01869	2.0
57.03437	3.5
58.00602	1.0
59.01101	1.8
59.01381	35.0
61.98825	11.9
64.70663	0.9
65.03952	2.0
71.01379	21.5
71.61890	1.2
72.99308	2.8
73.02936	5.8
74.74025	0.9
78.95899	2.7
81.03455	2.0
83.01361	3.3
83.05019	7.1
85.02953	8.2
85.06586	2.5
86.00111	1.2
87.00878	11.4
89.02449	8.9
91.05521	1.4
95.01383	1.8
95.05029	2.0
97.02928	1.3
97.06593	5.1
99.00887	1.0
101.02450	18.0
105.07091	1.3
107.05032	2.2
109.06615	2.5
111.04478	1.1
111.08169	5.7
112.98787	3.3
113.02442	10.0
119.03530	2.2
119.05035	2.3
121.02953	1.9
123.08158	2.4
125.02450	1.8
125.09734	12.0
126.10009	1.3
127.11236	1.3
129.02010	1.1
131.32243	1.0
133.02968	1.9
135.04495	3.0
137.09709	1.9
144.44882	1.0
145.05051	3.4
149.00885	2.0
149.06047	1.2
151.11348	1.2
159.04439	0.9
161.04512	4.3
163.11266	1.6
165.12851	1.3
171.10269	60.0
172.10660	2.2
178.02754	1.6
179.03346	1.2
180.03766	1.1
183.13872	1.9
185.11780	2.3
187.14801	2.3
203.10745	1.7
205.15955	4.2
207.13878	2.3
209.11847	16.4
211.13368	15.2
215.14398	12.5
219.10251	1.1
221.15450	2.4
231.13858	4.6
233.13094	2.2
233.15453	38.2
234.15698	3.0
235.08185	11.8
235.13278	1.4
239.16603	1.3
249.14946	26.9
250.15324	1.6
251.16411	1.2
253.09290	6.6
265.18182	1.1
267.15826	1.5
311.22244	1.4
331.26312	3.0
332.27213	1.0
341.24719	4.8
355.15533	1.9
357.24515	1.7
359.25870	2.2
367.22766	3.8
375.25122	5.1
385.23859	29.9
385.28903	1.5
386.24039	2.4
393.26495	1.3
403.24863	42.2
404.25333	5.2
421.25903	14.5
477.28427	1.5
485.23865	4.1
611.34271	2.8
621.32800	100.0
622.33087	16.7
639.33856	52.2
640.33966	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	637.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.5
59.01379	13.7
61.98831	3.2
63.11029	0.6
68.99815	2.5
71.01382	4.3
72.99308	8.9
73.02940	1.6
75.00879	1.5
84.99316	8.6
85.02937	2.0
85.06599	0.7
87.00875	17.6
88.98820	1.9
89.02453	2.7
93.03468	1.0
94.79487	0.6
97.02953	0.8
97.06585	0.8
99.00887	1.6
99.04542	1.4
101.02449	2.7
103.00378	1.7
104.63180	0.7
108.02159	0.6
109.02959	2.8
111.00877	1.0
112.98814	100.0
113.02431	1.9
113.99152	1.7
117.00094	0.6
117.03470	4.1
119.05031	62.8
120.05359	2.0
121.02966	3.2
122.59515	0.7
123.04514	1.2
125.02464	0.9
125.09746	0.8
127.00375	4.6
130.99893	1.8
133.02986	1.7
133.05104	0.9
134.03720	1.4
135.04504	3.1
137.02438	3.4
143.05060	2.4
145.02957	16.5
146.03329	1.0
147.04538	8.0
149.00905	5.0
149.05963	1.0
151.03978	1.3
154.99768	1.0
159.04509	1.2
161.04761	0.7
161.06081	2.0
163.04013	41.7
164.04393	2.1
171.04556	0.8
175.04016	9.5
177.05609	1.9
179.03494	0.7
189.05568	2.7
194.48569	0.6
203.03510	30.0
204.03835	2.0
205.05067	1.3
207.10164	0.7
209.84509	0.7
211.17094	0.8
215.03487	6.6
227.16489	0.7
229.96010	0.7
233.04686	1.2
241.18036	1.0
248.10164	1.4
249.10689	1.0
259.02475	3.7
277.03525	55.2
278.04044	3.5
291.23193	1.3
309.20761	1.4
311.25919	1.9
313.23813	6.0
323.09921	1.0
327.25635	0.9
331.19058	1.2
341.26935	14.2
342.27197	0.9
355.28687	0.7
359.28018	59.7
360.28378	4.1
373.29553	8.0
375.27637	1.7
401.23877	1.3
401.29013	6.8
402.29602	0.9
429.28873	1.1
443.24219	1.1
455.26486	1.6
473.27393	4.4
491.28775	2.2
505.24213	2.7
505.34808	1.9
506.24863	1.0
577.36066	1.6
587.17078	0.8
595.37537	1.6
637.33514	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68734	0.4
59.01382	3.9
61.98833	1.2
62.70310	0.4
63.75852	0.4
71.01391	1.9
71.51830	0.5
72.99337	0.5
73.02926	0.5
85.02969	0.6
87.00893	1.4
89.02445	1.6
93.03439	0.7
96.96031	0.8
99.00906	0.6
101.02441	1.4
108.02167	0.7
109.02991	0.8
112.98797	2.9
113.02480	0.9
119.05064	0.7
133.02992	0.6
134.03758	1.4
135.00896	0.9
135.04529	3.5
145.02960	0.5
148.01662	1.3
149.00897	2.8
149.06067	0.7
151.03963	0.6
152.01143	0.5
160.01630	0.6
161.02432	0.6
161.04503	0.5
163.04010	0.6
165.05496	0.5
167.03450	0.9
172.03337	0.4
177.05502	0.8
179.03491	1.9
184.05281	1.4
193.04971	0.9
194.83018	0.4
195.04498	0.9
196.05232	0.7
211.03970	4.1
212.04742	1.1
223.04051	0.6
224.04707	0.9
233.04523	0.6
239.03485	2.7
240.04219	3.4
267.02972	1.6
268.03760	68.6
269.04095	4.8
277.53369	0.5
283.06113	100.0
284.06427	7.0
293.08926	0.8
307.04654	1.1
309.45062	0.5
332.31671	0.5
392.44882	0.5
505.26004	0.8
533.26080	0.7
551.27344	0.5
557.15265	0.5
637.14435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01130	2.1
59.01385	24.0
60.06777	1.7
61.98835	7.3
62.59819	1.4
69.47645	6.3
69.48073	6.0
71.01381	10.6
71.05031	1.8
72.99315	3.0
73.02945	5.1
79.71439	1.4
83.01369	1.8
85.02950	3.3
87.00874	8.6
89.02467	7.9
93.03477	3.4
95.01401	1.9
96.96041	3.6
98.20580	2.6
101.02467	9.9
103.00324	2.1
108.02153	2.3
109.02962	4.3
112.98834	5.5
113.02422	5.5
116.92853	1.8
119.03500	3.0
119.05037	6.2
121.02923	4.1
123.04526	1.9
123.08103	2.0
125.02496	1.6
129.01941	1.8
133.02969	2.1
134.03714	2.3
135.04530	18.0
137.02446	5.0
145.02956	6.0
147.04518	3.1
149.00879	5.7
152.01099	3.1
161.02460	5.5
161.04379	1.7
161.06078	2.1
163.03976	9.4
167.03442	2.9
174.03235	3.5
175.04045	15.2
176.04652	2.7
177.05492	3.4
178.02548	1.6
179.03510	6.8
179.07042	1.6
180.04367	8.5
181.05005	2.1
188.04707	3.2
189.05556	4.7
190.06369	15.9
191.03577	2.3
191.07095	12.9
193.05074	11.1
194.05800	5.0
205.08713	16.2
207.06604	4.6
208.07428	11.0
219.02849	2.8
220.51631	1.8
222.08987	2.7
255.10245	4.0
271.02655	1.9
290.07446	1.6
293.03119	3.9
311.07767	2.5
327.08401	1.9
336.15518	1.6
344.12598	3.3
353.69656	1.7
359.14987	100.0
360.15057	9.0
368.92850	1.5
371.24194	3.3
389.16391	3.5
389.25452	24.4
390.25439	2.4
461.12466	2.9
505.22516	2.1
533.29297	2.3
593.31842	13.5
637.20728	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44606	1.2
51.66504	1.5
52.87239	1.3
57.03447	4.4
57.89288	1.3
58.00581	2.0
59.01381	40.8
61.98837	6.8
66.15651	1.2
66.98215	1.1
68.99825	3.0
71.01379	8.8
71.62393	1.8
72.99326	8.9
72.99664	1.4
73.02961	2.5
75.00880	3.7
76.57610	1.3
78.95897	8.8
83.01377	3.3
84.99326	6.8
85.02954	3.0
87.00880	25.9
87.04496	1.5
88.98833	7.4
89.02441	3.4
93.03493	1.4
95.01405	2.2
96.96980	1.4
99.00888	1.7
101.02445	5.1
103.00378	5.5
111.00898	1.4
112.98818	92.4
113.02474	3.3
113.99186	1.6
117.03463	4.3
119.05032	58.9
120.05363	1.9
121.02940	2.4
125.09697	1.3
127.00403	3.9
129.03468	1.6
130.99875	2.7
133.02928	2.1
133.06538	1.8
134.03807	1.4
135.04544	5.0
137.02460	5.0
137.09816	1.5
138.43181	1.5
143.05054	2.5
145.02946	22.1
147.04514	17.0
149.00916	7.7
152.99582	4.7
154.99823	1.3
159.04539	1.5
161.04585	2.1
161.06062	3.0
163.04002	32.9
164.04456	2.4
171.10306	11.5
175.04028	11.9
183.13988	1.7
189.05646	1.5
203.03502	35.8
204.03841	2.5
207.10359	2.0
209.11758	2.3
211.13387	3.6
215.03516	8.7
219.03183	2.2
233.04478	2.5
247.09798	2.3
259.02481	3.0
277.03528	53.2
278.03830	3.7
292.91284	1.4
307.09259	2.2
311.22357	1.8
313.23868	4.7
324.22165	1.7
329.23416	2.7
341.26984	13.3
357.26459	8.0
359.28006	100.0
360.28360	8.7
362.91806	1.8
373.29587	5.4
375.27573	26.5
376.27884	1.6
389.29187	2.1
400.85889	1.5
401.28741	8.2
417.28506	2.3
430.85355	1.5
443.24332	1.4
465.22510	2.3
473.27484	5.8
489.27350	1.6
491.28622	24.6
492.28851	1.9
505.23541	2.5
505.35574	2.8
577.37244	4.7
595.38098	2.6
619.31317	5.8
626.53699	1.5
637.32526	9.9
638.32526	2.5
644.09753	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	635.3801
Annotation	RK 397
Peak:m/z	Relative Intensity
57.03448	3.1
59.01384	28.7
61.98837	19.3
64.81625	2.0
65.59171	2.2
71.01395	27.0
71.51706	3.2
73.02943	7.2
78.95920	16.4
83.01350	3.5
85.02959	9.6
87.00853	2.5
89.02455	7.6
91.93953	2.2
96.96967	2.4
97.06579	2.2
99.00870	4.8
101.02460	19.4
110.87286	2.3
113.02438	8.7
116.92860	4.1
119.03493	3.9
126.69353	2.1
135.04469	2.5
152.99635	15.1
161.04527	3.0
177.09195	8.3
201.11363	2.6
239.66170	2.5
245.68779	2.4
255.23141	2.7
277.21722	100.0
278.22076	8.7
281.03448	2.8
291.23297	15.2
292.23770	2.9
319.22717	7.2
331.17786	5.2
353.32623	2.5
357.15472	7.6
375.16534	2.9
381.13287	6.7
399.14148	9.4
450.06561	2.6
617.36548	13.3
635.37982	90.1
636.38269	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.6
69.64336	10.2
72.99310	5.4
84.99308	1.7
87.00876	19.5
92.10863	1.5
93.03475	1.6
103.00366	9.4
109.02966	4.1
112.98843	12.1
117.03482	5.4
119.05064	2.2
130.99907	3.8
133.02966	2.3
134.03740	54.1
135.04532	73.7
136.04851	1.7
137.02449	2.9
149.00916	61.3
149.06049	8.0
161.02425	4.4
163.04021	2.0
178.02702	6.4
179.03496	100.0
180.03850	5.2
193.05052	95.9
194.05417	3.7
217.77016	1.7
227.07112	2.1
239.07094	1.8
255.10295	5.8
290.14462	1.7
311.04141	9.9
325.05643	25.4
343.08353	3.8
348.65634	1.5
434.74710	1.9
456.06876	2.5
475.14035	2.3
525.85840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99376	0.5
57.03452	3.7
59.01385	12.9
61.98831	7.3
62.87586	0.6
69.03464	0.8
69.79275	3.7
71.01385	5.3
71.04996	0.9
72.99304	3.0
73.02933	3.1
75.00854	0.8
78.95892	0.8
83.01409	0.8
83.05025	1.0
85.02959	1.0
87.00888	3.7
88.98799	0.6
89.02444	2.3
93.03441	1.7
95.05028	1.1
96.96022	5.0
96.96976	0.9
97.02959	0.6
97.06596	6.0
101.02446	3.6
103.00388	0.9
103.25498	0.5
105.24317	0.6
109.02940	1.6
111.04469	0.7
112.98824	5.5
113.02443	1.7
115.92050	0.7
116.92860	1.2
117.03430	0.8
119.03504	0.9
119.05028	3.4
121.02948	1.4
122.02467	3.4
123.08180	0.7
125.02448	0.9
133.02995	1.4
134.03732	0.8
135.04520	5.4
137.02454	1.2
137.09720	0.9
145.02962	1.4
147.04510	1.7
149.00919	4.0
149.06070	1.2
150.03246	0.8
151.03983	1.0
151.11313	1.3
161.02444	2.2
161.04613	1.4
161.06050	1.2
163.04018	3.5
175.04010	1.4
177.01874	0.7
179.03482	3.0
179.05571	0.8
181.12231	1.4
193.05104	1.2
197.15401	1.4
203.03468	1.0
205.05084	0.9
208.05545	0.5
209.06198	0.8
209.15532	1.3
224.04823	1.1
251.07123	0.8
253.05066	6.9
277.21707	1.4
281.04550	26.7
282.05008	2.1
284.02765	0.7
289.21716	1.8
293.03067	0.9
295.22772	2.1
297.07733	0.9
299.05447	1.0
307.22751	1.4
311.22305	0.8
323.05652	1.2
323.22058	0.8
325.23688	2.4
327.08612	1.3
339.21771	1.1
343.24838	2.2
351.21829	2.0
357.09622	1.1
357.22766	2.1
369.22809	12.8
370.23093	1.1
387.23880	100.0
388.24280	10.7
401.25717	0.8
415.11777	1.6
429.24969	5.1
431.12793	0.8
459.11063	0.9
459.23044	2.4
501.23218	1.0
503.23935	2.4
531.31183	0.9
591.30389	5.8
592.30524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01877	0.8
57.03440	1.1
58.00591	0.9
59.01094	1.0
59.01379	17.4
61.98824	4.4
65.00338	1.1
68.99801	2.4
70.63479	1.4
70.63826	1.0
71.01384	5.0
72.99307	11.3
73.02931	1.9
75.00846	1.0
78.95920	1.2
83.05020	1.0
84.99318	7.4
85.02974	2.3
87.00877	32.0
88.98808	1.3
89.02451	1.8
93.03477	1.1
93.07111	3.9
99.00851	1.2
101.02428	2.8
103.00360	3.5
106.41589	0.8
109.02937	0.8
112.98811	100.0
113.02435	2.3
113.99120	2.1
116.92849	1.3
117.03476	3.7
119.05026	59.8
120.05340	2.8
121.02956	2.4
127.00392	3.8
130.99857	1.9
131.05074	1.1
133.02930	1.7
134.03688	0.9
135.04524	3.5
137.02448	1.9
143.05020	2.6
145.02942	17.9
147.04512	11.8
149.00919	25.9
150.03198	1.0
159.04514	4.8
160.05205	0.9
161.02415	2.2
161.04657	1.2
161.06065	2.7
163.04007	41.6
164.04353	1.1
171.04489	1.4
171.10359	1.6
173.06017	2.5
174.03180	2.1
175.03987	9.9
175.07578	1.2
176.04758	4.3
177.02003	0.8
177.05505	4.3
178.02750	1.5
179.03444	1.8
183.13890	2.2
185.11877	0.9
187.03976	3.4
187.07628	5.7
188.04730	2.4
189.05563	4.4
191.06955	1.1
197.59030	0.7
200.04712	1.3
201.05553	5.3
201.09212	2.5
203.03490	27.1
203.07066	4.9
203.10690	1.0
204.04091	1.6
204.07892	1.8
205.04967	2.2
205.08682	6.3
211.13370	4.3
211.16939	1.6
214.06189	1.1
215.03574	6.6
215.07037	2.0
217.12180	0.9
227.12857	2.8
227.16475	8.3
229.08612	4.5
230.09473	3.7
233.04485	1.8
233.08183	2.7
241.18097	5.6
247.09712	15.5
248.10283	2.3
259.02469	3.5
277.03528	53.2
278.03842	3.9
283.13239	1.4
292.09634	1.0
301.14438	3.1
306.14627	0.9
309.24191	1.4
311.22296	1.0
311.25699	0.9
316.16876	1.8
317.14124	0.9
318.14566	2.1
319.15411	5.0
327.25308	7.1
328.25647	1.0
339.21613	1.4
339.25409	20.1
340.26004	1.3
341.13757	1.5
344.16043	5.7
345.16843	1.6
347.14960	1.9
348.15640	0.8
355.24628	0.9
357.26453	54.9
358.26733	4.4
361.16400	1.9
362.17310	3.1
371.27951	4.4
373.26065	4.1
381.08237	5.4
399.27499	4.8
406.16364	1.9
415.11050	0.7
415.21307	1.9
423.21469	1.4
424.10077	2.1
431.31604	1.0
441.22949	8.0
441.89938	1.0
442.23114	1.4
453.24686	1.4
459.23672	1.9
471.26077	4.7
485.22345	0.9
489.26880	1.9
495.15439	1.8
503.22949	17.3
503.33594	5.0
504.23306	2.1
538.17163	1.3
635.41235	2.2
638.39252	1.0
648.69385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28250	1.7
53.71874	1.6
54.93769	1.9
59.01379	19.6
61.98820	6.8
68.99815	2.4
69.49645	6.6
69.50063	5.0
71.01379	11.3
72.99298	5.9
73.02950	3.3
75.00890	1.6
83.01392	2.6
85.02948	3.7
87.00886	18.4
89.02429	11.2
96.95995	2.0
99.00858	2.4
101.02428	4.9
103.00345	3.6
109.02949	5.6
112.98830	9.4
113.02472	4.1
119.05017	3.4
122.06094	6.8
123.84196	1.8
124.03954	1.2
124.07653	2.3
125.42507	1.3
127.00426	2.0
130.99841	3.1
133.02916	5.9
133.05064	12.8
134.03732	3.4
134.06119	4.6
135.04533	63.0
136.04912	2.5
137.02414	7.6
138.05547	1.6
139.00343	1.8
139.06287	2.4
140.07152	8.6
146.06140	7.9
149.00923	39.2
149.04813	3.4
149.06017	3.1
151.03975	2.5
161.02454	19.1
162.05580	6.3
163.03998	8.5
163.15939	1.6
163.24551	1.6
164.03500	2.2
164.07135	3.3
171.06567	1.9
175.04073	2.1
177.05586	3.0
179.03502	60.0
179.05287	2.9
179.05795	4.0
180.03815	2.7
190.07397	1.6
191.03468	4.2
193.04958	2.1
194.08215	1.5
212.10765	5.6
213.10376	2.8
219.03008	17.3
221.04405	2.0
226.07455	5.4
226.12492	10.3
227.08244	31.5
231.03040	2.1
235.06046	2.9
239.08221	2.5
240.08992	6.0
241.07520	3.1
241.09818	41.4
242.10562	12.1
243.11256	2.9
254.10599	4.7
255.11386	22.1
256.11673	1.9
269.12943	36.7
270.13297	5.5
271.14499	3.7
273.12360	5.6
285.12515	6.1
293.03058	26.0
301.11929	8.2
303.13458	11.8
311.03912	2.8
313.11871	10.7
314.12579	7.8
315.13495	11.5
316.10742	2.6
323.07797	1.7
341.04861	2.3
341.08749	41.2
342.09219	2.9
364.16397	2.6
366.14514	4.4
380.16040	5.4
381.16956	3.4
394.17682	4.9
408.15637	5.1
414.18671	1.8
422.17047	2.1
438.16385	2.1
453.18988	16.9
454.19699	4.2
455.08334	3.7
473.09525	14.6
503.21603	7.4
519.23999	2.3
575.25104	29.6
576.25323	4.6
617.26135	100.0
618.26624	14.2
635.17224	2.8
635.27258	34.3
636.27887	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	635.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01376	19.1
61.98830	5.8
65.53733	1.3
68.99806	1.3
69.40994	10.2
70.42938	1.2
71.01382	8.2
72.99300	3.0
73.02928	3.2
79.95719	1.4
83.01384	1.2
85.02948	3.6
87.00877	7.0
89.02431	3.3
93.03421	1.5
96.96011	7.8
99.00907	1.4
101.02424	5.0
108.04553	2.3
109.02988	5.9
112.98805	6.5
113.02447	2.8
119.04988	3.7
121.02930	1.6
122.06073	5.7
123.04542	1.9
124.07661	1.3
125.02477	1.3
128.07074	1.2
133.02917	4.1
134.03708	3.2
134.06091	3.3
135.04539	12.8
136.07678	2.4
137.02388	1.8
140.07173	7.7
145.02916	4.3
146.06134	7.9
147.04436	2.0
147.06927	1.6
149.00902	7.1
149.04750	3.6
150.03221	1.8
150.05573	1.6
151.03969	1.7
152.07159	1.4
158.47958	1.2
159.04512	2.2
161.02422	4.5
161.04582	2.7
161.06023	1.8
162.05566	4.2
163.04019	4.5
164.03496	2.6
164.07132	4.9
165.05537	1.4
166.05057	1.6
175.03978	2.6
177.01909	2.5
178.02708	2.8
179.03494	5.3
179.05707	2.5
207.10313	1.4
212.10770	4.7
213.10352	2.3
216.05295	1.8
226.07477	5.4
226.12425	10.0
227.08255	28.2
227.11679	1.9
228.08618	1.4
239.08124	2.8
240.04167	1.2
240.09030	7.5
241.09830	40.5
242.10564	11.1
243.11221	4.2
249.04436	1.2
253.09424	1.5
254.10405	4.3
255.11334	20.2
256.11737	1.9
269.12955	34.9
270.10358	1.9
270.13403	4.6
271.10748	3.4
271.14362	4.6
273.12527	6.5
277.31143	1.3
284.11630	2.5
285.12234	3.4
293.03000	2.1
297.07828	1.4
301.11826	4.8
302.12567	2.2
303.13449	9.4
313.11899	7.4
314.12579	5.2
315.13422	6.1
316.10416	1.7
336.13254	1.7
339.08698	4.6
341.06650	4.9
364.16473	2.0
366.14444	3.5
380.16248	6.2
381.16806	3.0
387.23535	3.0
394.17572	5.4
408.15408	6.6
409.19934	1.5
422.16855	4.4
438.16422	1.2
453.19098	10.7
454.19641	3.3
459.10721	4.3
459.22363	2.9
473.07129	3.1
575.24982	18.8
576.25281	4.2
591.29724	1.8
599.25079	1.8
617.26141	100.0
618.26605	12.5
634.01910	1.4
635.17688	5.3
635.27026	55.9
636.18030	1.7
636.27264	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	635.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
58.00590	2.1
59.01379	100.0
61.98821	4.4
65.05541	2.0
65.68129	1.9
71.01382	55.6
72.99306	6.0
73.02955	11.1
76.22971	1.9
83.01386	4.5
85.02939	14.2
87.00870	13.3
89.02447	39.5
93.03423	2.5
95.01386	4.4
96.95985	2.2
99.00863	3.7
99.92574	5.5
101.02438	29.2
103.00335	2.3
109.02961	4.3
111.42939	1.8
112.98808	5.8
113.02453	34.2
116.92860	60.5
117.92863	3.9
119.03495	13.4
119.05027	6.2
123.04532	2.8
131.03490	2.6
133.01382	2.5
133.02927	8.3
134.03682	2.4
135.04521	48.8
136.04922	3.9
137.02434	4.6
139.00352	2.3
143.03497	4.6
149.00900	14.5
149.04582	3.5
149.06108	3.0
150.03232	2.9
152.01166	3.1
159.04530	3.8
160.01649	2.2
161.02464	10.5
161.04549	14.3
163.03938	2.7
165.01913	3.1
165.05542	4.3
167.03430	3.1
177.01923	6.3
177.05621	3.2
179.03490	42.2
179.05557	9.3
180.04041	2.7
181.08449	1.9
195.06622	7.0
219.03001	6.4
221.04553	4.2
234.82626	2.0
293.02847	9.7
327.08713	2.4
341.08826	21.8
353.61215	2.0
355.03867	2.1
369.19196	3.8
383.09808	3.0
387.20245	3.4
473.09351	12.4
503.11877	2.5
531.24451	54.8
532.24561	6.3
549.25543	35.2
550.25854	3.6
591.26477	7.4
635.19012	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	635.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81474	1.0
59.01380	100.0
61.98825	2.3
63.83200	1.0
69.03471	1.1
69.64110	7.8
71.01385	31.6
72.99319	4.6
73.02962	6.0
83.01389	2.0
85.02960	10.2
86.89224	1.0
87.00889	7.0
89.02446	23.1
91.36194	1.1
95.01382	4.1
96.96031	9.4
97.02926	1.2
99.00916	1.7
101.02448	16.4
105.03469	1.4
108.02229	2.3
109.02965	2.8
112.98796	2.1
113.02457	20.1
116.92847	2.2
119.03513	9.6
119.05023	2.0
120.01269	1.1
123.04534	1.6
131.03456	2.5
132.02130	1.4
133.02965	8.4
134.03751	3.3
135.04533	29.2
136.04831	1.4
137.02403	2.0
143.03493	3.5
145.02951	1.9
147.04448	1.7
149.00900	8.6
149.04510	2.6
149.06024	1.5
150.03223	2.7
151.04102	1.3
152.01208	2.1
159.04430	1.4
160.01628	5.0
161.02505	5.6
161.04550	8.6
163.04044	2.7
165.01962	2.7
165.05563	4.3
175.03998	5.5
177.01936	6.7
177.05647	1.8
179.03503	26.7
179.05635	6.2
181.04987	1.2
191.03418	1.6
193.05040	4.4
195.06601	3.0
219.03033	3.2
221.04543	1.4
293.03055	4.5
327.08636	2.2
341.08896	12.5
382.08377	1.2
460.19702	1.5
473.09363	6.5
473.16629	9.3
531.24481	28.5
532.24854	3.9
549.25452	9.4
550.26080	1.6
552.62793	1.1
564.19012	1.3
591.26184	2.6
635.18335	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.9
59.01377	98.5
61.98831	11.2
66.34097	4.4
69.41697	32.7
71.01389	24.7
72.99313	13.1
73.02945	15.3
83.01401	5.6
85.02957	10.5
87.00882	29.9
89.02447	13.1
90.15625	4.3
95.08176	3.9
98.19865	5.3
101.02452	13.3
103.00349	5.7
108.02198	4.2
109.02923	5.3
112.98808	25.8
113.02438	10.6
116.92846	5.3
117.05582	7.5
119.03496	3.7
119.05060	12.2
121.02963	20.7
124.01637	8.6
125.02434	8.0
130.99968	4.6
133.02980	7.5
134.03720	6.7
135.04515	33.4
137.02473	11.6
139.04021	9.1
139.77087	4.1
145.02943	5.0
147.04472	9.5
149.00912	34.0
150.03224	48.5
151.04025	5.9
152.14993	3.9
159.04539	8.3
161.02458	13.8
161.04584	6.5
161.06001	6.6
163.03992	16.9
163.11342	3.6
164.04782	3.9
165.05554	40.1
167.03473	5.4
174.03214	13.1
175.03992	7.8
175.07686	7.4
177.05490	5.9
179.03485	18.4
187.04083	5.0
188.04697	5.5
189.05585	4.2
191.07072	5.6
201.05615	4.0
203.07140	42.9
204.07520	3.9
211.13409	6.9
213.05447	4.7
216.07936	5.1
217.08667	55.4
220.03917	7.0
223.84357	4.2
229.08720	5.5
235.09805	10.2
267.12372	7.2
283.05957	10.5
284.06259	4.8
293.03171	8.8
297.07614	10.0
298.08121	7.3
299.08420	6.7
311.09122	5.8
329.13770	4.9
351.19614	6.3
354.11002	13.1
360.76819	4.6
367.63348	4.2
369.13388	81.0
369.20413	8.5
370.13690	8.4
379.19199	7.0
387.09964	6.8
387.14536	100.0
387.23166	6.6
387.27783	6.2
388.14758	8.9
397.20187	9.2
415.21274	11.9
422.08850	4.1
423.22086	6.3
441.22757	43.2
459.23911	62.0
460.24408	7.1
473.20468	6.6
503.22842	42.3
503.31067	7.0
515.32404	9.1
531.31781	29.1
573.19836	17.0
591.20844	54.7
591.30493	5.9
591.34253	5.6
592.20911	9.7
604.15369	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	635.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	1.8
59.01379	17.5
61.98822	2.8
71.01389	17.8
72.99297	1.8
73.02952	2.7
78.95895	9.0
79.12950	1.1
84.39071	1.0
85.02946	4.2
87.00864	2.9
89.02438	6.9
95.01365	1.4
96.96986	1.1
101.02443	9.8
113.02433	4.1
119.03493	2.4
125.71754	1.1
148.45624	1.2
152.99580	4.0
195.12465	1.4
195.13930	12.6
200.41187	1.3
213.14948	6.1
225.30946	1.1
251.43613	1.2
255.23260	4.8
277.21744	18.9
291.23245	3.1
357.19150	13.6
375.20227	19.4
379.11536	1.6
430.13950	2.1
431.18817	4.1
445.16513	1.7
447.53806	1.3
458.17178	1.6
473.15201	1.5
473.20410	1.5
474.16986	6.6
475.17657	4.1
487.17792	2.2
488.18292	6.4
489.18878	5.7
490.19949	3.7
505.22174	3.1
516.17621	2.2
529.18909	1.4
549.21381	1.5
559.23254	1.6
575.23010	15.0
576.23297	7.1
603.22235	2.4
635.24994	100.0
635.41553	83.2
636.25531	18.6
636.41992	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	635.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22453	2.9
57.03453	4.5
59.01382	41.4
61.98835	12.1
63.45751	3.0
69.50163	22.2
71.01390	19.7
72.99310	6.4
73.02954	10.3
83.01376	4.5
85.02967	6.5
87.00880	19.6
89.02444	12.3
93.03477	5.2
95.01397	2.8
96.96013	8.6
97.02918	3.4
98.19922	5.5
99.00858	6.5
101.02451	16.6
103.00396	4.3
109.02949	10.4
112.98821	22.6
113.02446	11.4
113.99150	6.0
114.99294	3.2
116.92881	6.8
117.03477	3.6
119.03529	3.4
119.05025	36.1
120.05374	10.8
121.02950	7.4
125.02432	6.1
130.99872	3.5
132.02161	12.8
133.02945	6.6
133.06601	27.3
134.03740	22.7
135.04590	24.9
137.02451	5.2
143.03542	3.3
143.04837	3.1
145.02966	13.6
147.04526	8.3
147.70964	3.3
149.00905	11.9
149.06114	11.0
152.01227	4.0
159.04549	4.5
160.01646	38.7
161.02420	12.5
161.04596	4.7
161.06067	10.8
162.02972	3.5
162.06429	3.2
163.04008	27.3
164.04391	7.1
165.05647	3.5
172.05336	4.0
175.03996	42.1
175.07686	3.4
176.04697	6.8
177.01936	3.8
177.05612	4.7
178.02664	6.2
179.03459	15.7
179.10779	5.3
187.07603	7.1
190.02721	3.3
191.07196	7.4
193.05037	27.1
194.05403	4.8
199.07660	3.4
205.05077	10.9
206.05374	5.9
207.05484	3.5
217.08609	6.9
219.02982	3.9
222.05235	4.2
233.04552	3.2
235.06100	17.0
238.06447	3.1
244.07356	3.6
265.07184	5.3
268.07339	14.4
283.09842	7.0
285.04068	9.0
293.03174	3.9
295.08371	7.1
296.06879	7.1
299.09277	3.3
307.04684	3.7
308.07166	6.0
309.04892	6.8
311.09241	6.2
312.06424	8.6
322.08591	5.1
323.09241	16.2
324.06372	5.1
324.10019	12.2
327.08722	29.8
339.08807	44.0
339.12479	9.1
340.09244	3.7
342.11060	41.2
353.03616	3.3
353.09995	4.3
354.10889	15.6
357.13425	100.0
357.17813	5.4
358.13766	13.7
369.13400	95.9
370.13852	11.9
387.23895	9.8
441.14398	4.4
459.15421	6.5
503.14755	9.4
503.21353	19.1
635.18457	25.2
635.28699	4.9
636.18750	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	633.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.35304	0.6
57.03449	10.3
58.00595	1.9
59.01381	100.0
60.01728	1.5
60.95819	0.6
61.98823	4.6
69.03475	0.8
71.01388	17.8
71.05050	0.7
71.62716	0.9
72.01752	0.6
72.99305	3.1
73.02951	5.9
81.07160	0.7
83.01405	2.4
83.05044	2.3
85.02957	8.2
86.28118	0.6
87.00881	23.8
87.04516	0.9
89.02445	4.4
93.03510	1.1
95.01399	1.1
95.05095	0.7
96.96008	4.5
99.00865	3.5
101.02449	15.3
101.03082	1.1
103.00388	6.3
103.85081	0.7
109.03005	1.0
111.00917	0.9
112.98824	3.7
113.02454	7.7
115.00327	0.7
116.92840	1.1
119.03500	0.9
119.05020	3.4
121.02966	0.9
125.02442	1.1
125.06120	1.5
128.07199	2.1
130.99875	3.2
133.02954	1.7
133.06606	0.9
134.03757	1.2
135.04576	3.4
136.01756	0.7
137.02483	0.9
143.03534	1.5
145.02988	2.1
145.06660	1.0
145.10318	0.8
146.03506	0.8
147.04512	0.9
148.05244	0.6
149.00908	5.1
149.06085	1.1
151.03922	0.7
160.01706	2.2
161.02473	1.7
161.04570	8.5
161.05927	1.2
161.13382	1.2
163.04019	2.1
163.07686	0.8
163.11331	3.9
167.03522	1.0
173.06122	0.8
175.04021	3.4
177.01939	0.8
178.02855	0.7
179.03577	1.8
187.11293	1.5
191.07227	1.4
193.05104	2.3
195.06688	1.0
205.12338	12.9
206.12732	0.9
207.10280	20.6
207.12137	1.2
208.10867	1.0
223.04065	0.8
223.13376	8.1
233.10347	2.6
249.11307	1.8
251.11354	29.7
252.11743	2.0
293.12408	26.3
293.15732	1.1
294.12854	2.1
327.08746	1.1
337.09439	2.0
343.08063	0.7
501.23431	58.8
502.23831	8.2
633.24030	11.6
634.24438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
57.03444	2.6
59.01379	23.7
61.98810	2.8
66.04070	1.1
69.03471	1.4
70.91079	2.0
70.91421	2.3
71.01377	11.4
72.99309	3.7
73.02933	3.9
75.00890	1.4
81.03485	1.3
83.01386	2.7
85.02940	4.9
87.00872	17.0
88.98811	1.1
89.02444	9.0
90.16820	1.1
95.01354	1.4
96.96022	4.3
97.02959	1.7
99.00906	1.9
99.04498	1.5
101.02447	10.7
103.00342	2.2
108.85357	1.0
109.02963	6.2
111.00886	1.8
112.98812	9.8
113.02428	4.4
116.92907	1.6
117.87698	1.2
119.03505	4.0
119.04964	2.4
121.02953	1.8
124.53561	1.5
125.02431	1.8
127.00368	3.8
130.99837	1.2
133.02953	13.5
134.03729	2.6
135.04529	100.0
136.04834	4.3
137.02437	8.7
138.02817	1.4
139.00339	2.9
145.02927	1.8
147.04497	1.4
147.95128	1.4
149.00920	24.0
149.04539	1.5
149.06064	3.1
150.03183	1.2
152.01166	1.3
159.04489	2.6
161.02449	34.8
161.04529	3.6
162.02864	1.3
163.04004	9.0
175.04016	1.5
177.01901	4.0
177.05605	5.9
179.03497	94.9
180.03874	4.9
187.03972	1.4
189.05441	1.2
190.02621	1.4
191.03493	4.7
205.05064	1.6
209.04579	1.1
219.02975	18.6
221.04544	4.3
226.46161	1.1
231.02939	3.1
269.10254	3.0
275.01978	1.7
279.10776	1.6
287.14670	1.3
293.03058	23.5
297.12033	5.5
311.04068	4.8
323.07861	5.7
327.08667	2.2
337.09335	7.4
341.08759	53.9
342.09006	4.3
365.10721	4.6
381.08295	2.7
383.09607	2.4
455.08237	4.6
459.12991	14.0
473.09375	26.6
474.09656	2.7
503.11707	1.6
530.17261	1.4
549.25079	2.4
591.26727	2.4
626.50110	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.7
61.98827	3.3
68.99812	3.3
69.50970	1.7
69.51377	4.1
71.01361	3.4
72.99310	8.6
73.02930	1.3
84.99320	5.7
85.02985	1.7
87.00872	19.3
87.10442	0.8
89.02462	4.0
93.03440	1.4
96.95979	1.3
101.02444	3.0
103.00350	1.8
109.02934	1.1
109.18810	0.8
111.00865	2.2
112.98810	73.4
113.99155	1.3
117.03456	5.5
119.05025	100.0
120.05366	3.4
121.02942	3.6
127.00431	4.8
131.05043	1.1
132.02165	3.6
132.05769	2.4
133.02911	2.7
133.06590	10.6
134.03741	35.8
135.04448	3.4
137.02396	2.4
143.05009	3.1
145.02960	13.1
146.03418	1.4
147.04532	1.6
149.00925	2.8
149.06081	16.4
150.03142	1.0
151.04034	2.2
154.99921	1.0
159.04527	1.4
160.01654	15.2
160.05280	1.2
161.02440	8.6
161.06073	28.0
162.03214	9.8
162.06461	1.1
163.04005	75.7
164.04352	2.9
165.05568	1.0
174.03241	1.3
175.03996	17.7
176.04596	1.6
177.05536	4.1
178.02704	6.6
179.03407	1.9
186.03180	1.5
189.01942	1.0
190.02704	5.9
191.07069	2.9
193.05034	24.1
201.05437	1.2
202.02698	3.2
203.03421	1.6
205.05042	56.9
206.05365	1.8
218.02144	1.7
219.06598	2.1
230.02032	4.7
233.04546	34.3
233.06876	1.9
234.04672	1.3
235.06104	2.6
245.04510	4.6
248.99918	0.8
263.05670	1.0
277.03510	1.4
289.03531	4.9
307.04599	64.1
307.07983	3.6
308.04840	3.8
325.09268	8.7
337.09250	3.1
350.68384	0.8
367.10519	1.2
393.08173	6.1
395.47910	0.8
439.08661	2.4
471.12698	1.1
471.22113	1.0
501.14001	14.1
502.14069	1.3
532.84851	0.8
565.74139	0.8
589.29114	1.5
647.13995	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.9
59.01385	13.3
61.98834	4.2
69.41198	9.2
71.01383	2.5
73.02952	1.4
78.14663	0.9
78.95904	1.9
83.01389	1.5
85.02973	1.5
87.00896	3.8
88.98823	4.2
89.02479	1.4
94.32803	1.0
95.01345	1.5
96.96037	1.1
98.20647	2.1
101.02451	1.6
103.00356	1.0
107.08691	1.9
109.06588	4.8
112.98819	5.9
112.99500	1.0
113.02470	1.7
119.05058	1.6
124.01674	13.5
125.02487	1.5
125.09731	7.7
130.99840	1.6
133.02937	1.6
134.03790	1.6
135.04523	3.3
137.02464	1.9
146.96887	1.1
147.04597	1.2
149.09756	8.5
150.03238	2.8
150.10001	1.6
151.07664	3.3
152.99602	2.5
160.01694	1.2
161.02437	1.1
163.04018	2.7
171.10265	1.8
171.65561	1.1
171.67865	1.0
176.01077	2.1
178.02727	1.1
179.03455	3.0
191.03581	2.2
192.00632	0.9
193.08707	100.0
194.09070	5.8
199.88576	1.0
207.10300	1.5
219.02748	1.4
245.08197	1.3
277.03549	1.5
366.75848	1.1
501.32153	2.9
589.19299	12.9
590.19000	1.8
633.30029	1.7
633.39764	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	633.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.1
59.01379	15.2
59.43311	1.0
60.99321	1.5
61.98831	5.5
69.73032	7.3
71.01379	5.9
73.02959	1.8
78.95896	2.9
83.01376	1.7
85.02959	2.5
87.00884	4.6
88.98817	5.3
89.02461	3.7
89.51583	1.3
98.20567	2.4
99.00921	1.4
101.02461	2.0
103.00385	2.7
105.00216	1.2
109.06586	3.3
112.98801	5.9
113.02483	1.9
119.05014	1.9
124.01658	17.6
125.09731	8.0
135.04565	8.1
137.02472	3.3
147.04523	2.2
148.01700	1.4
149.02518	1.5
149.09712	6.6
150.03218	1.3
151.07640	3.1
161.02437	2.8
161.04500	1.2
163.03998	2.9
165.45164	1.4
175.03871	1.7
176.01147	10.7
177.05630	1.5
178.02731	1.8
179.03477	2.7
179.98969	1.1
183.13872	2.1
191.03496	13.6
193.08699	100.0
194.09030	4.9
203.07129	1.5
221.08138	1.8
233.48436	1.1
339.12405	4.4
371.24228	1.9
385.12918	20.2
386.13116	2.1
429.13483	2.0
501.32010	7.1
502.31955	1.4
589.19269	34.7
589.27386	1.4
590.19556	4.8
633.30780	2.7
638.38641	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.4
59.97589	0.1
61.00433	0.1
61.98819	0.6
69.97117	0.7
71.01383	1.2
72.99306	0.2
73.02944	0.9
73.56908	0.1
77.52770	0.1
83.01379	0.2
85.02946	0.4
87.00879	0.5
89.02441	0.7
89.02950	0.1
93.03439	0.2
96.95997	0.4
98.20564	0.1
99.00885	0.5
101.02438	0.6
102.08497	0.1
102.90921	0.1
103.00383	0.2
104.91651	0.1
108.02169	0.2
112.98808	0.5
113.02479	0.7
116.92826	0.2
119.05033	0.2
123.04517	0.2
125.02443	0.2
128.56149	0.1
131.03456	0.2
132.02132	0.3
133.02969	0.2
135.04547	0.7
137.02417	0.5
142.12143	0.1
143.03459	0.2
145.02940	0.2
145.37001	0.2
149.00897	0.5
149.04518	0.2
150.05550	0.2
155.04988	0.2
161.02377	0.2
163.03955	0.2
163.07622	0.4
167.03497	0.2
175.07677	0.8
176.01128	0.6
179.03574	0.4
183.04485	0.5
191.03520	0.8
191.05116	0.2
193.08687	2.3
195.04501	3.3
196.04839	0.3
210.06863	0.5
211.03999	2.3
212.04375	0.3
216.56021	0.2
223.04021	1.0
225.05533	0.4
228.11249	0.1
238.02689	0.3
239.03488	20.9
240.03844	1.4
253.05070	0.3
254.05836	15.9
255.06143	0.9
266.02145	0.4
267.02979	6.5
268.03564	0.6
281.04642	0.7
282.05331	65.3
283.05783	6.0
297.07672	100.0
298.08008	8.8
307.06058	0.6
309.07806	0.2
319.13190	0.2
339.08676	1.0
385.12988	0.7
448.66379	0.2
501.23676	0.3
547.27515	0.2
571.78882	0.1
589.18939	0.6
589.28082	0.3
591.17291	1.5
592.17230	0.3
633.18127	3.2
634.18286	0.6
645.45923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03449	2.6
58.00591	0.8
58.38114	0.8
59.01379	100.0
61.98832	4.6
65.00294	0.9
67.01889	3.1
68.99821	5.5
71.01384	13.6
71.62289	1.1
72.99300	6.0
73.02947	8.1
75.00873	2.3
79.98105	0.7
83.01405	4.3
83.05015	1.3
85.02959	7.9
87.00874	20.4
88.98802	1.1
89.02433	3.8
92.99828	1.1
93.03468	3.1
93.97580	0.7
95.01374	0.8
96.96015	3.3
96.99311	2.2
99.00876	6.1
99.19498	0.7
101.02450	8.3
103.00370	7.8
103.04024	5.3
105.01936	2.2
109.84341	0.8
111.00893	5.8
112.98813	10.4
113.02432	4.4
117.03461	2.8
119.03642	1.4
119.05027	28.0
120.05355	0.8
121.02924	1.8
124.01716	0.8
125.02463	1.2
127.00368	16.7
128.07169	2.1
130.99838	6.4
131.07166	2.2
133.02960	0.9
133.79581	0.8
134.03769	1.5
134.06126	1.3
134.63916	0.8
135.04520	5.2
137.02432	5.9
139.04021	1.0
142.99911	1.9
143.05058	1.0
143.78972	1.0
145.02963	10.5
147.04520	5.2
149.00912	60.9
149.04469	1.3
150.03232	1.3
151.00278	1.1
152.01172	0.7
153.01852	1.1
154.99846	1.4
161.02428	1.0
161.04558	5.6
161.05927	1.4
163.04001	21.9
164.04373	0.9
165.05412	1.1
175.04004	4.3
177.01994	1.2
179.03519	3.1
179.05476	1.0
193.05066	2.0
198.98802	6.3
203.03481	12.9
203.05295	1.4
204.03636	0.8
215.03525	2.5
216.99908	1.7
239.03471	1.1
251.11298	3.1
259.02423	1.9
269.10287	6.0
277.03516	17.2
282.05273	3.4
293.12427	4.5
295.04614	9.2
297.07672	4.6
299.07864	1.3
311.11453	8.8
330.15274	0.8
353.78174	0.8
379.10239	1.0
385.12802	2.4
395.09824	2.4
469.09818	3.3
487.10486	1.3
490.79086	0.8
492.08160	1.0
501.23801	5.8
502.26672	7.3
589.27399	1.8
601.79993	1.1
609.80804	0.9
632.80182	1.3
633.25525	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	631.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	1.7
54.94603	1.5
59.01374	3.0
61.98835	1.5
69.51141	9.1
69.51549	2.9
70.04760	1.6
78.95903	3.6
98.19897	3.7
137.04752	1.4
139.25084	1.4
141.15421	1.4
152.99599	2.4
154.76578	1.4
167.02263	1.5
277.21716	100.0
278.22037	7.2
280.23560	1.7
354.87524	1.7
495.82800	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.6
55.96496	0.8
57.03450	5.3
58.00577	1.8
59.01384	100.0
61.98820	3.9
67.01515	1.1
67.01894	4.4
68.99823	6.5
69.03445	1.1
71.01389	44.6
72.01719	1.8
72.99308	10.0
73.02953	13.5
75.00881	4.3
79.95784	0.9
80.10653	0.8
83.01398	8.2
84.62563	0.8
85.02957	27.1
86.03313	1.1
87.00882	18.0
89.02457	9.0
92.99812	1.4
93.03474	2.1
95.01397	8.0
96.01711	1.3
96.96011	7.6
96.99322	2.5
97.02956	1.7
99.00883	11.5
101.02447	30.9
102.02794	2.1
103.00363	6.7
109.02957	1.8
111.00903	7.5
112.98820	8.8
113.02455	30.9
114.02795	1.7
116.92892	1.0
117.03441	3.0
119.03513	3.3
119.05032	49.5
120.01315	1.0
120.05368	2.1
121.02966	2.1
125.02449	1.5
127.00378	22.3
128.07079	1.4
129.01935	0.9
129.03404	1.1
130.99901	4.8
131.03523	1.2
131.07217	1.0
133.02959	1.3
133.06577	1.4
134.03751	1.0
135.04527	2.9
137.02449	2.1
142.99867	1.7
143.03477	2.4
143.05014	1.3
145.02960	19.1
146.03267	1.2
147.04535	7.7
148.02359	0.9
149.00916	3.9
150.03241	1.1
154.99855	2.1
159.02983	3.2
159.04411	1.3
161.02425	0.8
161.04565	12.7
161.05902	1.8
163.04016	63.0
164.04355	2.5
165.98289	1.0
174.97597	1.0
175.03986	6.3
178.02559	1.0
179.03523	2.3
186.30315	0.9
189.05547	2.1
198.98882	5.9
203.03508	24.8
204.03833	1.7
205.05090	2.0
205.12253	1.8
207.10257	2.7
215.03444	4.7
216.99886	1.0
251.11327	3.2
259.02423	3.1
269.10352	5.0
272.73944	0.9
277.03549	39.7
278.03906	3.3
293.12350	2.4
295.04480	9.3
297.04117	1.3
299.01733	1.0
311.07068	0.8
311.11356	2.4
317.20679	1.0
341.10703	1.0
379.09976	0.9
395.09753	3.5
405.30844	0.9
416.24796	2.5
416.75073	3.0
469.09680	2.8
483.21802	1.3
491.71484	0.9
501.23367	15.1
502.26111	3.0
551.27771	2.7
551.77966	3.6
552.27893	1.1
589.28448	1.3
615.76477	0.9
632.30762	9.8
632.80682	34.5
633.16058	2.2
633.30933	12.7
633.80817	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	631.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32026	1.2
59.01375	2.9
61.98830	5.8
67.83152	1.4
70.78378	1.1
70.92446	3.1
71.16312	1.3
73.02960	6.8
75.00883	8.9
89.02491	1.7
99.00874	4.0
99.92583	16.2
114.05627	3.5
115.00346	1.4
116.03558	1.7
116.07187	4.1
116.92859	100.0
117.01942	15.0
117.05582	3.9
117.92875	3.9
132.70880	1.4
133.89110	1.3
192.08740	1.2
229.15192	1.3
274.98154	1.2
277.21689	3.5
305.71585	1.6
349.23615	1.3
397.76736	1.4
401.86658	1.3
476.51965	1.4
631.38763	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82377	1.8
60.83471	1.8
61.98871	1.7
71.62099	2.5
78.95908	48.7
97.02962	2.5
110.98537	34.4
111.08181	3.3
138.16052	1.8
144.62033	2.0
152.99586	19.9
158.57603	1.7
163.11252	2.4
165.12852	49.1
166.89659	1.7
167.01146	19.5
181.12326	7.1
183.13898	62.5
185.02205	4.4
199.13309	1.9
201.14960	14.4
207.10281	13.2
209.11824	6.9
225.11337	37.0
226.11676	2.7
227.12920	25.4
249.01120	1.9
253.21799	1.9
255.23286	34.2
256.23602	2.6
279.23267	2.0
318.92728	2.0
345.11087	4.0
377.13718	19.7
395.14731	100.0
396.15240	8.1
423.25436	4.1
427.06769	1.8
547.14380	2.3
631.36102	33.2
632.36646	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	631.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63563	0.8
57.77145	0.9
58.93217	0.9
59.01379	1.7
61.98811	3.6
62.08471	0.8
71.01389	1.0
71.43820	0.9
71.61872	1.3
73.02948	5.1
75.00871	3.9
78.95892	0.9
97.34504	1.1
99.00869	2.0
99.92583	13.0
114.05568	1.8
116.03535	1.3
116.07139	1.8
116.92862	100.0
116.97256	1.7
117.01950	9.8
117.05574	2.7
117.92865	4.0
121.67126	0.8
166.02289	0.9
168.20007	0.8
230.19719	1.0
277.21552	1.8
509.48367	1.1
650.80096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	13.0
59.01383	10.8
61.98837	4.8
71.01379	6.6
72.99305	1.5
73.02940	3.7
83.01395	0.7
85.02947	1.6
87.00869	2.5
89.02471	3.8
93.03455	1.2
96.96020	3.1
99.00897	4.6
99.04514	1.3
101.02431	5.1
109.03001	1.2
111.00899	0.9
112.98843	1.0
113.02446	3.0
115.00389	1.2
119.04969	1.6
121.02959	2.2
125.02422	1.1
133.02971	2.3
134.03745	100.0
135.04446	5.2
136.01703	1.1
137.02435	10.7
139.03999	2.9
139.07965	0.8
148.05299	0.9
149.00934	2.4
149.06081	59.3
150.03252	1.6
150.06432	2.7
152.01129	1.1
160.01598	0.9
161.02524	1.1
161.04523	1.2
161.06052	0.9
163.03990	1.2
165.01930	1.0
175.02498	1.6
175.04024	2.4
176.04774	1.7
178.02716	41.5
179.03317	3.0
180.04286	1.0
191.07144	2.1
193.05057	97.7
194.05310	3.7
207.09926	0.7
210.86281	1.0
235.06088	2.3
255.02939	1.1
257.98318	0.7
271.02481	1.4
300.02692	1.8
301.03537	2.4
340.26065	0.9
355.10147	0.8
417.10117	0.9
487.14551	89.3
488.14951	10.3
522.33514	0.9
529.15613	61.0
530.15771	6.3
533.60168	0.9
569.18646	12.6
570.19507	1.0
584.41071	0.9
631.18604	23.7
631.34235	1.0
632.19055	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	631.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01376	11.2
61.98835	9.6
70.92947	1.3
70.93291	1.7
71.01374	8.0
72.99285	2.9
73.02941	1.8
83.01339	1.3
84.02186	1.1
85.02955	2.0
87.00886	2.4
89.02425	3.4
93.03444	2.0
95.01389	1.6
96.95996	2.7
99.00883	1.6
101.02444	3.3
108.02146	1.4
109.02927	1.4
112.98801	1.1
113.02425	2.2
117.03456	7.3
119.05025	69.0
120.05344	2.5
121.02960	6.6
123.04519	2.5
125.02497	1.3
132.05791	5.5
133.02971	2.1
133.06601	26.6
134.03671	1.5
134.06921	1.0
135.04529	4.8
137.02486	1.3
140.94456	1.0
145.02954	41.9
146.03587	2.1
149.00932	6.3
149.02139	0.8
150.03247	2.0
151.04053	1.0
154.08896	1.1
161.02437	2.5
161.06082	62.8
162.03229	1.9
162.06438	2.4
163.04015	65.3
164.04480	2.3
165.01874	3.1
165.05635	1.2
177.05519	5.6
179.03487	3.1
180.04199	2.8
187.03885	1.2
195.06618	3.4
201.11372	1.4
205.05057	61.6
206.05354	2.1
209.11838	1.3
225.07671	1.9
235.06091	7.2
250.33844	1.2
265.04614	0.8
265.07141	19.8
323.13440	2.4
325.09171	1.9
359.22385	1.0
364.39352	1.3
367.10263	2.4
423.16653	2.4
427.16470	1.2
451.15878	2.5
469.17166	24.8
470.17441	2.3
481.20892	1.1
511.18036	1.5
547.71161	1.2
631.22430	100.0
632.14801	1.2
632.23004	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	631.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03182	0.7
57.03449	11.0
59.01381	2.3
61.98822	0.8
69.67043	0.4
71.01384	1.4
71.35437	0.9
73.77131	0.4
79.40368	0.4
85.02940	0.5
87.00842	0.8
89.02441	1.1
89.51620	0.3
96.96017	0.8
99.00896	1.3
99.04493	1.1
101.02444	3.7
108.02170	0.6
109.02956	0.9
112.98794	0.8
113.02451	0.6
115.52902	0.4
119.05027	0.7
121.02979	0.9
125.02451	1.0
127.07641	0.8
133.02908	0.7
134.03740	45.8
135.04454	3.4
137.02449	8.0
139.04042	2.8
140.65411	0.4
145.02948	0.7
145.11115	0.4
149.00894	0.5
149.06075	19.0
150.03229	0.7
150.06369	0.6
163.03969	0.8
171.06622	0.4
175.03976	0.8
178.02707	34.1
179.03415	3.9
191.05640	0.6
193.05048	100.0
194.05351	4.4
209.23265	0.4
216.48822	0.4
221.04489	0.4
228.55663	0.4
235.06154	1.1
306.86627	0.4
355.10190	1.3
356.36807	0.5
397.11456	2.4
459.35013	0.4
469.13638	1.2
487.14554	46.2
488.14865	4.3
529.15613	19.8
530.15967	2.0
569.18646	3.8
570.19141	0.6
631.18787	8.9
632.19305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.1
61.98831	75.5
64.88423	1.2
67.53278	1.1
71.01384	4.1
71.62344	1.9
71.63001	1.3
71.76442	1.2
73.02943	2.3
83.01390	1.7
83.05035	1.2
85.02931	1.5
86.95516	1.2
87.00885	1.8
101.02428	3.0
105.22382	1.1
112.98827	2.5
113.02410	1.5
114.00207	1.0
115.26060	1.0
115.92030	1.4
135.04497	2.6
149.00909	1.5
151.89572	1.1
163.04068	1.3
179.03529	2.8
211.13345	2.2
212.13780	2.7
228.90204	1.1
235.18570	1.1
307.36197	1.2
309.80554	1.2
319.22766	100.0
320.23212	8.2
333.20474	2.0
361.23831	1.7
380.96338	1.3
401.16165	1.7
542.32806	1.4
630.33246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2686
Annotation	Elliptifoline
Peak:m/z	Relative Intensity
57.03426	0.8
59.01128	0.7
59.01377	7.0
61.98829	8.1
63.96224	0.9
66.55546	0.5
69.03443	1.4
69.74016	3.0
71.01379	6.9
73.02931	1.8
78.98600	5.2
79.95267	0.7
79.95737	13.2
80.96519	49.8
81.03444	1.2
83.01401	0.6
85.02963	2.5
87.00875	3.5
88.98826	0.8
89.02464	1.2
94.98091	13.6
95.01366	0.8
96.96025	1.8
97.02956	2.0
98.19894	1.1
99.00858	1.4
99.04590	0.5
101.02441	3.6
103.00347	0.6
106.98096	2.7
108.02187	0.6
112.98833	1.2
113.02439	1.3
119.05034	6.3
122.97585	5.5
125.02449	3.1
133.02966	5.4
134.03615	1.0
134.97595	3.6
135.03531	0.7
135.04530	4.5
136.07687	0.5
136.99149	1.3
137.02420	1.8
139.03915	0.6
139.63229	0.5
140.07167	0.6
148.99136	5.1
149.00908	1.9
150.03268	0.7
152.01135	0.8
152.98650	5.6
153.01749	0.5
159.23906	0.5
161.02432	1.0
163.04019	5.2
164.03476	0.8
164.98627	11.4
165.05554	1.2
166.02747	1.1
167.00360	0.6
171.10307	0.6
175.03943	0.6
177.01949	3.2
178.02594	2.6
179.00201	0.7
179.03409	2.2
181.05077	0.9
182.99706	2.4
183.24423	0.5
185.00893	0.8
195.06586	0.8
206.99675	2.5
211.13390	0.9
225.00735	19.7
239.03439	0.9
243.01785	1.1
254.05865	1.1
257.12894	0.7
282.05331	5.5
297.07642	9.2
298.08035	0.9
299.04498	2.5
326.08792	1.3
387.14624	0.8
445.16171	0.6
471.15256	0.5
490.13660	0.9
495.29880	1.6
518.37543	0.5
547.92334	0.5
591.17096	1.1
609.21179	1.0
627.26892	100.0
628.27380	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	627.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	37.4
60.96999	1.9
61.98825	4.0
67.88787	2.2
71.62190	2.2
72.99303	2.5
78.95909	4.3
87.00883	21.6
96.96016	4.8
96.96980	2.6
103.00359	18.3
109.02998	3.6
112.98808	37.7
127.00355	3.0
130.99878	8.1
133.02957	6.0
134.03738	6.0
135.04529	73.9
136.04901	2.7
137.02455	5.0
141.26659	2.2
161.02454	15.4
163.04005	7.7
179.03500	54.7
188.97914	2.0
191.03493	6.0
198.33182	2.1
202.18808	2.2
209.11777	2.8
219.02974	17.2
231.03056	2.6
237.07425	2.2
275.09192	3.2
289.21744	51.9
293.03003	40.5
298.42615	2.0
333.20737	53.8
334.20996	4.5
354.43680	2.4
420.64700	2.4
429.95810	2.2
465.21265	100.0
466.21481	12.0
471.45209	2.6
515.39148	2.3
533.77148	2.4
564.91962	2.6
627.37701	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	627.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.7
58.00594	2.7
59.01382	41.3
61.98835	1.9
69.29183	5.7
71.01386	14.4
71.01764	1.0
72.99316	2.9
73.02913	1.2
80.96522	0.8
83.01374	0.6
85.02968	2.4
87.00879	24.6
89.02448	17.2
95.01395	1.1
99.04548	1.0
101.02458	7.0
103.00371	6.2
112.98824	5.7
113.02448	7.8
119.03519	5.8
130.99858	3.4
135.04535	1.8
137.02469	1.1
143.03549	1.0
149.00978	0.6
149.04599	0.8
149.06004	0.6
161.04637	2.6
167.07127	1.6
179.03516	1.0
179.05617	7.2
202.44824	0.6
243.21246	1.1
271.20728	2.9
289.21735	52.7
290.22009	4.2
303.23358	0.9
313.21924	0.5
315.19656	11.7
316.19882	0.7
327.21786	0.7
333.20712	100.0
334.21118	9.1
375.21799	6.3
405.22803	0.8
435.23718	0.9
465.21182	1.0
495.25662	41.2
496.26263	6.1
627.26581	23.7
627.36041	0.9
628.26636	3.5
634.78870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2098
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
71.08452	0.6
71.66471	0.4
73.02962	0.8
73.21851	0.3
77.67282	0.4
109.87211	0.3
115.04057	0.3
162.61299	0.4
195.23810	0.4
198.27904	0.4
215.42584	0.4
228.19060	0.3
231.11163	0.3
418.54782	0.3
437.12473	1.2
438.13110	1.3
451.13898	1.7
452.14957	3.5
453.15195	0.7
465.16440	0.4
466.16296	1.0
479.17310	0.5
480.14224	0.6
481.14944	8.2
481.20840	0.6
482.15497	1.0
484.13815	0.6
488.13614	0.5
493.15359	1.4
494.15750	1.0
495.16769	15.8
496.17044	3.1
507.16782	1.1
508.18430	2.1
509.18686	1.7
512.13281	0.8
521.14392	1.2
522.14960	0.4
523.16278	0.5
523.19965	1.1
524.20251	0.4
526.15039	1.1
533.18304	0.6
535.16077	2.1
536.16821	2.8
537.17523	0.5
539.15582	1.1
540.16864	3.4
541.16846	0.7
551.19379	41.2
552.19720	8.3
553.17682	0.7
554.17340	1.2
555.18878	1.3
567.17932	0.6
568.15808	1.0
572.15503	2.8
573.16101	0.5
583.21948	0.6
586.16956	1.9
587.16785	0.5
595.18225	9.5
596.18616	1.6
626.26282	0.7
627.20886	100.0
628.21179	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03425	0.4
59.01385	3.4
61.98835	2.1
69.03462	0.6
69.33582	3.4
71.01392	2.4
72.99313	1.0
73.02959	1.2
81.03503	0.4
85.02944	2.0
87.00877	1.0
89.02464	0.8
95.01397	1.3
96.96007	0.5
97.02930	0.5
98.20600	0.6
99.00899	1.1
101.02435	0.9
107.05013	0.6
108.02177	55.0
109.02981	13.5
110.03273	0.7
112.98799	1.3
113.02467	1.1
119.05061	0.6
121.02985	0.9
123.00885	1.0
123.04529	0.4
125.02450	0.6
133.02919	0.6
134.03783	0.4
135.04562	1.8
137.02449	0.9
140.42079	0.4
147.04410	0.4
149.00887	0.4
151.04024	1.7
152.01155	100.0
153.01918	5.4
161.04518	0.3
163.04012	3.0
165.05539	0.4
165.12859	3.7
175.03922	0.6
177.01819	0.7
179.03540	1.4
179.07114	0.5
183.13908	15.8
184.14186	0.7
195.02892	0.4
209.11819	0.5
219.02895	0.5
227.12904	3.8
241.07095	1.9
267.05161	0.7
285.06165	1.5
373.11526	1.5
374.12866	0.4
399.09323	10.4
400.09622	1.0
417.10382	15.8
418.10895	1.1
567.28998	0.4
583.23962	3.5
584.24493	0.5
609.21747	2.6
627.22906	89.5
628.23303	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	627.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.1
59.01381	25.9
61.98147	2.1
61.98846	13.7
67.01890	2.3
69.38257	4.8
69.38658	17.2
71.01385	21.3
72.99299	3.7
73.02943	9.7
81.03508	2.1
83.01405	5.7
84.47173	2.3
85.02932	8.4
86.65839	2.0
87.00885	42.0
89.02441	4.6
91.01920	3.9
96.08540	2.3
96.95990	4.1
97.02998	3.0
99.00883	7.2
100.01686	5.0
101.02434	10.8
107.01366	3.5
108.02126	2.7
109.02948	10.5
111.00887	15.9
112.98792	7.8
113.02438	7.0
119.05013	6.4
121.02982	3.5
123.00912	8.7
125.02451	4.6
127.04050	2.5
128.03497	2.6
133.02989	3.3
135.00868	15.0
135.04555	16.0
137.02423	17.6
142.99832	3.0
145.02933	2.7
147.04565	2.8
149.00911	8.4
149.02406	4.5
150.03204	8.8
151.00381	17.4
151.03969	9.1
152.01170	5.3
153.01924	18.8
153.05627	2.8
161.02452	10.1
163.03984	7.4
164.04767	6.3
164.72589	2.5
165.00513	5.0
165.01927	97.8
165.05553	15.3
166.02637	8.4
167.03412	3.2
173.00941	12.8
174.01656	5.5
175.03995	3.4
176.04805	6.6
177.01926	6.6
177.05481	4.9
178.06339	3.1
178.99808	2.8
179.03508	33.0
179.07144	8.4
180.04285	71.6
181.05048	12.6
191.03551	5.2
191.07068	3.7
193.05045	2.9
193.08641	2.8
194.05826	14.7
195.03008	3.6
195.06625	99.4
196.06961	3.6
203.03435	4.6
206.05692	4.1
209.08226	11.0
210.05331	19.1
211.06030	4.0
218.05742	3.8
219.02960	4.1
221.08211	8.1
225.07674	50.1
226.08046	3.2
234.05325	3.3
247.02574	3.9
249.03903	3.0
249.07735	3.1
261.03915	4.0
262.04794	8.9
264.06161	3.4
265.07092	7.8
276.06387	4.8
277.07239	11.5
282.56854	2.3
284.03244	5.8
285.04071	12.7
285.12350	3.0
297.06107	6.7
299.05453	4.1
337.05344	3.1
337.09366	50.2
338.09775	2.9
399.14331	6.0
405.11755	10.2
443.13773	3.5
464.23557	3.0
465.10220	7.1
491.15536	24.7
503.15674	5.0
521.16681	4.6
551.17664	2.6
563.17578	10.3
609.18066	20.4
619.45087	2.6
627.19202	100.0
628.19482	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	625.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.1
57.03439	1.7
58.00587	1.6
58.28771	0.5
59.01381	31.3
61.98822	1.5
69.03461	2.3
71.01385	33.2
71.62206	0.9
72.01751	0.6
72.99300	3.5
73.02944	5.7
75.00858	0.8
81.03466	1.4
83.01392	3.7
83.05062	0.7
85.02952	7.6
87.00874	9.7
89.02444	30.8
95.01391	1.7
97.02943	6.0
99.00881	2.3
99.04514	0.6
101.02446	28.0
109.02959	1.0
111.00882	0.6
111.04568	1.0
112.01690	0.7
113.02454	14.8
115.04015	0.7
119.03495	8.6
119.04294	0.7
121.02969	1.3
125.02451	12.5
131.03479	1.4
133.05066	0.7
137.02448	0.5
139.03973	1.2
143.03502	5.4
149.04604	0.8
161.04564	6.3
169.04941	0.7
179.05579	5.3
186.68341	0.6
197.56923	0.5
199.06131	0.9
209.11816	1.0
217.07130	1.0
221.06656	2.4
227.20160	100.0
228.20509	6.9
235.08221	14.1
235.10608	0.7
241.21680	0.7
245.06641	0.6
253.09204	3.3
263.07681	1.8
277.09314	0.7
287.07748	3.1
305.08810	3.6
311.97250	0.6
323.09732	1.9
334.12866	0.7
361.11172	0.8
379.12527	1.5
379.20456	0.5
390.57901	0.6
397.13489	77.9
398.13806	4.6
415.14557	29.6
416.14673	2.6
542.96045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1566
Annotation	Taxifolin 3-galactosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.45280	0.7
55.88919	0.7
59.01378	2.6
60.99615	0.7
61.98838	1.3
63.02395	1.2
63.80452	0.7
64.71895	0.7
65.00323	11.4
66.15914	0.7
69.60016	4.3
69.60446	1.4
71.01379	1.7
80.12487	0.8
83.01382	5.8
83.83549	0.8
87.00880	1.5
89.02460	1.6
93.03457	1.3
96.96010	2.0
97.02937	0.8
99.24909	0.7
101.02467	0.8
106.61237	0.7
107.00694	1.3
107.01394	19.4
109.02959	1.4
113.02443	0.8
117.83080	0.6
119.05016	1.0
121.02930	1.2
123.04466	3.8
124.01653	1.1
125.02446	10.5
131.01332	4.0
133.02951	2.2
135.00966	1.0
135.04510	4.3
137.02467	1.7
149.00928	1.2
149.02431	2.1
150.03250	2.2
151.00368	100.0
151.03963	7.5
152.00784	3.8
153.01889	5.1
159.04478	0.8
165.01907	3.0
165.05463	0.8
169.01372	2.8
171.04541	1.1
175.00356	22.0
175.04004	2.1
176.00964	1.4
177.01958	2.0
178.99854	22.2
179.03413	1.3
180.04405	0.8
181.01456	2.3
189.01897	1.2
193.01447	2.9
199.03932	4.8
201.01935	0.9
205.01436	2.1
211.04030	1.2
213.05643	1.6
217.05154	1.8
227.03558	2.0
240.04356	1.1
241.05096	3.6
254.30252	0.7
255.02859	1.0
256.03796	2.3
257.04544	2.1
275.05692	1.2
284.03284	11.4
285.04034	73.4
286.04324	7.0
291.82944	0.8
298.04700	1.4
299.05511	1.4
303.05069	9.5
309.04010	2.0
313.05673	14.7
314.06097	1.1
327.04965	1.7
331.06772	2.1
339.07184	1.5
341.05139	2.0
447.09229	20.7
448.09628	1.7
465.10349	55.9
466.10635	5.6
627.16516	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33287	0.4
55.01866	0.9
57.03447	1.3
58.00595	1.1
59.01380	21.4
61.25136	0.4
61.98832	2.1
62.32762	0.4
69.03457	0.9
71.01385	12.7
71.39205	0.5
72.99308	1.5
73.02951	3.0
77.03993	0.5
80.31143	0.5
81.03475	0.6
82.11102	0.4
83.01378	2.4
85.02954	4.1
87.00880	3.8
88.98791	0.8
89.02448	11.3
93.03456	0.5
95.01412	0.8
95.05026	1.7
97.02951	1.5
97.06601	0.5
99.00871	1.0
101.02447	10.4
105.03461	5.9
106.04228	0.9
108.02209	1.3
109.02956	1.1
111.00922	0.5
111.08151	0.6
112.98812	1.3
113.02439	4.7
119.03516	2.5
119.05029	1.1
121.02981	1.6
123.04533	1.1
125.02422	2.9
133.02962	36.7
134.03767	9.6
135.04535	3.6
137.02431	5.9
139.04013	1.8
143.03473	1.2
147.04552	0.6
149.00870	0.9
150.03220	1.3
151.04063	0.8
152.01126	1.4
161.04524	1.4
163.04048	1.4
165.05563	1.1
165.12851	8.8
166.13167	0.5
167.03505	0.7
175.03995	0.7
177.01933	29.8
178.02719	16.9
179.03445	3.5
179.05531	0.8
183.13893	70.1
184.14233	3.4
189.03365	0.5
195.06514	0.7
209.11777	1.1
211.13387	5.0
221.06613	0.7
227.12866	9.6
235.08223	1.8
252.95108	0.4
253.09203	1.4
299.16531	1.2
301.06873	0.4
309.15012	1.1
327.16000	3.5
345.16901	1.1
397.13461	6.4
415.14514	3.0
447.22235	1.5
465.12598	0.4
493.28915	1.6
505.32709	0.5
563.25122	0.9
581.25934	3.1
607.25922	1.4
625.27100	100.0
626.27332	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	625.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21312	0.6
57.01917	0.7
62.69836	0.6
69.88353	2.2
69.88743	1.4
70.89700	0.6
73.02936	0.6
95.10176	0.6
100.86864	0.7
119.22108	0.6
134.06093	1.0
209.11783	0.7
211.08823	0.9
213.10381	8.6
215.11977	1.2
232.58771	0.6
293.21176	0.9
299.14020	2.1
328.10989	0.9
340.10837	0.9
342.12387	1.5
385.14111	1.3
386.14496	0.8
405.14203	0.8
419.11575	1.3
420.16504	1.6
432.12390	1.9
433.12726	3.8
434.13531	3.1
439.21204	1.3
447.14709	2.8
448.15213	11.3
448.45557	0.7
449.16080	6.3
450.16983	1.1
462.17065	0.9
463.17773	20.6
464.18158	3.7
465.19220	1.8
475.14240	1.0
477.19629	3.5
478.19946	3.0
479.20862	15.8
480.21524	2.6
489.15329	0.9
490.16467	1.2
491.17178	27.6
492.17627	4.3
505.18881	3.8
506.19574	8.2
507.20251	4.2
519.19757	1.4
520.21179	2.3
523.19775	2.9
524.20209	1.2
537.21436	1.2
538.22290	33.5
539.22925	11.0
540.23236	1.1
552.24207	0.8
593.24078	8.5
625.26691	100.0
626.26953	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	625.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.3
69.41295	9.9
75.66190	1.2
127.00249	1.3
134.06061	1.8
148.09044	1.1
176.29878	1.1
213.10367	5.9
239.12047	1.2
267.11353	1.3
299.13980	1.7
419.15372	1.6
433.13361	3.2
434.13831	1.5
447.14621	3.8
448.15286	9.0
449.15988	5.0
461.12494	2.2
463.17810	18.5
464.18094	2.9
473.16452	1.7
477.19669	2.8
479.20917	13.7
480.21472	2.4
491.17291	22.0
492.17545	3.6
505.18677	1.9
506.19238	6.7
507.20245	3.0
509.38745	1.5
523.19995	2.7
524.19458	1.8
538.22101	21.7
539.22662	6.4
552.82684	1.2
593.23932	7.5
594.24475	1.9
625.26642	100.0
626.26862	15.5
649.77234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03444	1.0
58.00589	1.4
59.01382	25.6
61.98830	1.9
63.37934	0.3
69.03467	1.1
71.01385	18.2
72.99308	1.3
73.02942	3.2
75.00894	0.8
77.04010	0.6
81.03460	0.4
83.01376	2.3
83.05092	0.4
85.02953	4.7
87.00874	3.8
88.98809	0.5
89.02447	13.4
93.03463	0.5
95.01389	1.3
95.05032	0.8
97.02947	2.3
97.06567	0.4
99.00866	1.3
99.04475	0.5
101.01763	0.7
101.02443	14.0
105.03460	2.1
109.02962	0.4
111.00912	0.5
111.08179	1.3
112.98817	0.6
113.02447	5.1
119.03507	3.3
120.33698	0.3
121.02974	0.7
124.01657	0.6
125.02443	3.2
131.03537	0.8
133.02959	13.9
134.03780	3.7
135.04547	1.8
137.02449	3.0
139.04007	1.1
143.03505	1.5
149.00987	0.4
149.02429	0.8
150.03229	1.9
151.89265	0.3
161.04555	1.7
163.03957	0.5
165.05527	2.4
165.11545	0.8
165.12852	9.4
177.01933	11.3
178.02707	6.8
179.03464	1.6
179.05638	1.3
183.13901	69.0
184.14241	3.5
195.06583	1.0
199.09764	0.9
209.11841	1.5
211.13371	1.3
221.06670	1.4
227.12906	9.3
228.13115	0.7
235.08223	1.8
253.09235	1.1
263.07626	0.5
286.08444	0.6
299.16547	0.5
301.10895	1.8
309.14908	0.8
327.16052	1.5
331.10385	0.5
397.13483	6.4
415.14606	4.1
416.14743	0.4
447.22336	0.8
493.30249	1.3
521.33575	0.8
581.26147	1.0
584.10608	0.4
607.25970	1.1
625.27124	100.0
626.27502	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	625.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.4
57.03456	6.8
58.00586	3.3
59.01381	100.0
60.79343	2.9
61.98827	18.1
64.45940	2.9
70.27290	3.6
71.01382	35.2
71.62961	5.5
72.99306	9.7
73.02949	9.1
75.00880	6.1
83.01388	7.5
85.02931	15.8
87.00879	13.9
88.98820	5.5
89.02445	14.0
93.03434	4.3
95.01377	5.0
95.05105	3.2
96.96005	5.0
97.06587	5.4
99.00903	5.0
101.02459	29.1
103.00377	4.3
104.05599	3.6
105.03412	4.3
108.02144	6.7
109.02959	5.8
109.06601	3.6
112.98795	10.1
113.02450	22.0
119.03513	4.9
119.05034	11.9
121.02967	8.7
122.02478	44.9
122.03756	3.6
123.02833	9.2
123.04507	8.8
125.02457	5.5
133.02975	36.1
134.03757	16.3
135.04543	25.8
137.02454	12.1
143.03531	4.0
145.03026	4.7
147.04498	5.9
149.00893	13.8
149.02304	3.4
149.06128	4.7
150.03230	12.1
152.01144	12.3
161.02451	7.2
161.04539	7.6
163.03964	12.1
164.04738	4.1
165.05513	23.9
166.05087	4.8
167.03560	4.4
170.78046	3.6
172.05415	6.6
175.04030	5.2
177.01920	25.7
178.02750	17.6
179.03494	15.1
179.07159	5.0
180.04230	3.4
211.13350	5.8
219.02855	4.7
242.61626	3.3
253.09062	3.9
281.15448	4.8
283.13455	26.2
283.16528	4.9
301.14542	4.8
309.14954	34.9
313.14450	6.1
327.16037	34.7
328.16226	6.7
345.17035	5.3
361.16501	24.1
377.29007	6.1
391.26120	3.3
489.26822	3.4
493.16251	4.5
493.28336	9.2
505.20825	52.7
505.33493	5.1
506.20367	9.0
521.33215	56.8
522.33551	7.4
523.21698	19.0
523.34973	3.9
539.34210	10.7
563.25037	11.3
565.22693	11.3
581.26648	22.9
581.34515	6.2
625.25616	32.1
625.34467	4.9
625.80231	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	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91498	0.8
59.01379	4.1
59.30107	0.8
60.23195	0.9
65.00367	1.1
65.66386	0.8
67.05116	0.9
71.01369	1.9
71.34411	1.2
71.34734	1.2
72.57411	0.8
80.08030	0.8
83.01369	1.3
87.00871	2.6
89.02441	1.0
107.01404	2.0
108.02197	1.8
109.02931	3.7
116.92860	1.3
119.05020	8.8
120.05340	4.2
121.02957	1.8
133.02882	0.9
134.03690	0.9
135.04512	2.2
148.01720	1.5
149.00961	1.6
151.00381	8.4
161.02437	1.5
163.04028	7.1
164.04356	2.0
164.61015	1.0
165.05507	0.9
166.05106	10.7
167.05434	3.4
178.99872	6.7
179.03421	1.2
184.06142	1.2
223.06155	1.5
226.02719	1.3
227.03566	1.8
227.12898	0.8
243.02995	10.3
244.03320	1.8
254.02180	2.0
255.02992	26.0
256.03308	1.4
265.56909	0.9
271.02484	56.5
271.85461	1.0
272.02960	4.6
299.01883	3.2
300.02759	100.0
301.03406	17.6
325.09259	1.1
328.10327	2.0
329.10861	1.9
400.09778	1.3
463.08289	4.3
470.04819	0.9
492.14847	1.3
493.15881	4.7
625.14008	73.4
626.14246	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	625.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03440	2.3
58.00601	1.1
59.01378	21.1
60.28627	0.5
61.98828	8.7
69.03449	3.2
71.01382	22.0
71.63032	0.7
72.01727	0.9
72.99307	3.6
73.02946	14.7
74.03266	0.8
75.00877	3.0
77.03950	1.1
80.96531	2.0
83.01395	3.8
84.99312	6.9
85.02950	12.0
86.03309	0.6
87.00877	5.0
87.04525	2.0
87.14014	0.5
89.02451	5.0
89.03986	0.8
93.03465	3.1
95.01382	2.5
95.05019	3.3
96.96014	0.7
97.02959	0.8
99.00865	3.7
99.04479	1.0
101.02443	14.5
102.02811	1.2
103.00384	1.7
103.04047	0.7
103.52909	0.6
105.03461	8.2
105.05630	0.6
106.04262	1.1
108.02151	0.8
109.02958	2.0
111.00897	0.9
112.98808	100.0
113.02448	7.8
113.99161	1.3
117.03451	0.8
119.03493	1.5
119.05023	1.5
121.02956	28.6
122.03719	2.2
123.04536	1.8
124.86105	0.7
125.02448	0.9
130.99847	1.1
131.03452	0.7
133.02957	56.9
134.03748	29.8
135.04552	10.5
137.02437	11.2
139.04022	3.0
143.03497	1.6
143.93831	0.6
145.02930	1.0
145.05040	2.0
147.04553	1.8
149.00812	0.5
149.01173	0.7
149.02438	8.0
149.06055	4.4
150.03221	21.2
151.03940	0.9
152.01241	0.6
157.12355	0.7
158.03683	1.1
159.04556	0.9
160.01598	0.9
161.02489	0.8
161.04549	1.8
163.02690	1.1
163.04002	14.7
164.04713	1.1
165.05565	20.3
173.06126	1.0
175.03943	1.3
176.04807	1.1
177.01926	43.0
178.02708	38.0
179.03499	6.5
179.05031	0.8
179.05702	0.7
180.04271	1.1
187.04051	0.8
191.03488	1.0
191.07146	2.1
193.05055	24.5
195.06612	14.6
202.06305	0.7
207.13599	0.6
211.13370	7.6
217.05022	1.4
235.06137	1.6
235.13344	0.8
239.07153	1.0
250.06364	0.9
253.09062	1.2
267.06512	0.9
282.08951	3.3
309.15054	2.2
311.09268	0.7
327.12280	2.3
327.16049	6.5
341.10281	13.2
341.14160	1.1
342.10654	1.4
345.16904	2.9
365.10168	0.8
373.26010	0.8
375.27545	7.5
376.27795	13.2
377.28152	4.0
389.12454	3.8
431.13452	0.9
447.22272	2.4
470.75494	1.5
485.10684	3.1
492.28915	1.5
493.28546	1.6
505.33783	1.0
521.33612	0.9
551.27527	3.7
551.78070	6.7
552.28369	2.1
563.25220	1.7
581.26221	4.7
624.80951	1.0
625.24878	6.9
625.33966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72075	0.4
59.01376	1.9
61.98830	0.7
65.00343	0.6
71.01384	1.3
71.60806	0.7
72.99329	0.8
82.09620	0.5
83.01403	0.5
87.00879	1.3
89.02481	0.7
93.03441	0.9
96.96027	0.6
107.01408	2.1
108.02190	0.7
109.02959	1.9
119.05025	1.4
120.01258	2.0
121.01619	0.5
121.02973	0.8
122.00851	1.3
123.04529	0.6
125.02449	0.7
133.02959	2.0
135.04515	1.8
137.02512	0.8
143.04977	0.5
149.00934	1.6
149.02449	0.9
151.00375	7.2
163.00433	0.8
163.03995	1.0
166.05251	0.5
171.04546	0.8
175.00401	1.2
175.04025	1.0
177.01900	1.3
178.99840	1.9
179.03496	0.9
187.04028	1.2
199.03987	4.0
201.01999	0.7
203.03487	0.9
208.33228	0.5
209.11894	1.7
215.03525	2.4
226.02687	1.4
227.03516	3.8
243.02963	5.5
254.02216	0.8
255.03049	2.0
271.02475	59.9
272.02838	4.8
299.01974	100.0
300.02594	17.8
301.03537	44.9
302.03970	2.8
313.03464	1.4
342.03964	0.7
343.04578	1.2
361.08914	0.5
397.13913	0.7
462.08026	24.2
463.08786	40.7
464.09015	4.3
493.14047	1.3
505.09723	1.2
625.14063	80.1
626.04315	0.6
626.14429	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56342	0.4
59.01374	2.1
63.02430	0.6
65.00024	0.4
65.00335	1.3
65.81047	0.4
71.01386	0.7
82.43551	0.5
83.01410	1.1
83.29070	0.3
83.79025	0.4
85.02944	0.5
87.00921	0.5
89.02444	0.6
93.03455	0.4
101.02448	0.5
107.01394	1.6
109.02966	1.8
119.03468	0.6
119.05035	0.7
121.02958	1.2
133.02951	0.7
135.00890	0.4
135.04547	0.8
147.00955	0.6
149.00922	1.1
149.02267	0.6
151.00365	7.5
152.00760	0.5
152.88072	0.4
155.05081	0.5
159.04538	0.5
161.04532	0.5
162.52866	0.4
163.00417	1.0
163.04021	1.0
164.01161	0.5
165.01886	0.5
171.04454	0.6
175.00354	1.2
175.04129	0.8
178.99864	2.1
179.03523	0.5
183.04550	0.4
187.04005	0.8
199.03951	2.7
201.01863	0.9
203.03610	0.7
203.55057	0.4
205.12358	0.9
209.11902	0.6
211.04039	0.8
215.03441	2.0
226.02704	1.3
227.03510	2.8
243.02982	5.0
255.02986	2.2
271.02469	54.8
272.02869	3.1
285.04068	0.8
299.01959	100.0
300.02600	17.3
301.03525	43.1
302.03793	2.3
313.03595	1.5
343.04443	1.4
351.91278	0.4
361.09531	0.6
421.39880	0.4
462.08020	26.6
463.08780	37.7
464.09091	3.1
505.09772	1.0
565.24976	1.8
625.14044	72.4
626.14307	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	624.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36888	0.2
57.03457	0.3
59.01381	4.1
60.01699	0.2
61.98831	100.0
71.01388	1.9
72.99294	0.2
73.02947	0.6
81.03519	0.2
85.02953	0.5
87.00882	0.5
89.02437	1.2
95.01434	0.3
98.19903	0.4
101.02419	1.0
109.03020	0.2
112.06535	0.2
112.98804	0.4
113.02467	0.9
119.03480	0.2
133.02963	1.6
134.03796	0.4
135.04504	1.1
136.04922	0.3
137.02469	0.4
149.00938	0.4
161.04546	0.3
165.12885	0.3
177.01898	1.1
178.02708	0.5
179.03510	0.7
179.05588	0.3
183.13881	3.5
203.99820	0.2
227.12883	0.4
252.04256	0.5
253.04663	0.3
267.06653	0.5
268.07098	0.4
269.07220	0.5
270.07578	0.3
327.16202	0.3
335.23233	0.2
375.27655	0.9
376.28076	0.4
397.13486	0.4
474.15256	0.3
492.28592	0.3
503.32184	0.4
579.34015	0.4
624.19183	0.2
624.29529	0.7
624.79858	0.3
625.27161	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	624.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.40813	14.4
75.21774	1.8
81.76435	1.6
83.10421	1.4
102.69474	1.7
126.75742	1.7
139.58939	1.4
140.21179	1.7
158.84346	1.8
165.70660	1.7
207.77962	1.6
326.55771	1.5
394.98138	1.7
563.85913	1.5
573.41852	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	623.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77594	1.5
57.03446	7.9
59.01380	100.0
61.98842	8.1
69.54241	11.9
71.01384	25.7
72.99308	5.7
73.02946	7.3
75.00865	3.7
83.01398	6.7
84.89065	1.4
85.02961	14.1
87.00871	14.4
88.98812	2.0
89.02446	8.4
89.64027	1.5
95.01376	2.4
96.95982	2.0
98.19714	1.8
99.00881	5.4
101.02442	19.2
108.02171	4.2
109.02951	4.9
112.98834	6.9
113.02443	16.7
119.03519	2.4
119.05039	5.5
120.01199	2.6
121.02982	4.0
122.02483	3.4
123.04511	2.3
125.02458	2.5
131.03424	1.7
133.02962	1.8
134.03630	2.2
135.04533	40.4
137.02483	1.8
143.03471	4.1
143.10777	4.7
147.04628	1.6
149.00909	10.9
150.03186	2.2
152.01143	4.6
153.01939	1.9
153.09215	1.9
160.01701	1.6
161.04579	5.0
163.04012	4.2
177.05661	2.0
179.03479	6.9
183.13770	1.4
201.14896	1.6
203.03502	2.6
225.11388	2.2
271.02545	3.1
277.03687	1.8
278.41690	1.7
299.01926	6.7
311.09082	1.8
311.22397	2.9
314.04343	7.9
329.06677	15.6
339.07318	4.2
345.19247	1.6
357.26544	3.2
359.28018	5.3
373.26135	2.3
374.26395	2.4
375.27213	10.3
411.14572	3.0
455.13605	1.8
473.14563	11.3
474.15192	2.2
480.13123	1.6
491.28494	15.2
503.32233	45.6
504.32501	5.5
519.31683	9.0
521.33356	8.4
537.32617	6.0
563.34064	4.9
579.25244	2.1
579.33716	21.5
580.33185	2.7
623.16858	3.6
623.35687	2.6
624.30688	7.1
625.09222	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	623.3431
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
57.03439	1.7
59.01379	16.7
60.85078	1.2
61.98822	1.4
65.17307	1.3
69.03471	1.6
71.01383	16.7
71.61486	2.1
72.99326	1.3
73.02937	4.0
81.03457	1.6
83.01369	3.6
83.05017	2.3
85.02937	6.7
87.00877	7.6
89.02444	9.2
95.01382	1.9
95.04978	1.7
97.02974	1.5
99.00871	2.1
100.39249	1.5
101.02440	11.2
103.04051	1.1
109.06589	3.8
111.08144	1.9
113.02431	6.2
125.02420	2.0
135.08156	2.2
137.09692	2.5
143.03490	2.0
145.05042	5.6
161.04565	3.1
179.05617	2.4
207.10197	1.9
213.14980	3.1
225.11310	1.7
231.17592	2.5
235.08189	12.6
239.16478	1.8
247.16956	1.6
265.18195	2.5
275.16504	2.3
277.17886	1.7
315.26840	2.8
325.25323	5.1
341.24719	2.7
343.26535	6.9
348.61969	1.3
359.25943	8.9
361.27356	1.8
369.24310	16.0
370.24683	1.8
387.25378	51.2
388.25909	7.5
405.26447	36.9
405.31836	0.8
406.26788	4.2
461.28482	1.5
471.26843	1.7
479.30029	2.5
493.57962	1.4
595.35229	1.4
603.50751	1.3
623.34338	100.0
624.34845	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	623.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29281	0.3
50.47682	0.4
55.01900	0.5
57.03177	0.3
57.03445	0.6
59.01383	9.1
61.98828	1.3
68.32306	0.4
71.01375	4.2
71.62673	0.7
72.99314	0.8
73.02944	1.4
80.50037	0.4
83.01389	0.6
83.72091	0.4
85.02945	1.9
87.00874	2.0
89.02433	1.9
93.03465	1.1
95.01379	0.6
99.00892	0.7
101.02434	2.5
103.00376	0.7
103.68812	0.3
103.69589	0.4
107.05064	0.5
108.02142	0.8
109.02949	1.5
112.98805	1.7
113.02445	2.7
117.03441	1.1
119.03472	1.0
119.05042	1.8
121.02961	0.5
122.87932	0.4
123.04501	1.7
124.01647	0.6
125.02462	0.6
133.01404	0.4
133.02919	0.7
133.06584	0.5
134.03705	0.5
135.04512	6.0
137.02429	4.1
139.00372	0.5
139.04042	0.7
143.03482	0.5
145.02953	3.6
147.04573	2.7
149.00899	3.1
149.02121	0.5
149.06035	0.8
150.03212	0.6
151.03983	4.0
152.01096	1.1
152.04779	1.3
153.01956	1.2
153.05597	0.8
158.03618	0.7
159.04424	0.6
160.05342	0.5
161.02417	1.3
161.04593	1.0
161.05949	0.8
162.03188	0.6
163.03996	5.4
165.01926	1.2
165.05492	0.7
166.02751	0.7
166.06358	0.9
167.03497	1.3
167.07129	0.5
168.00677	0.6
173.02414	1.0
174.03215	2.8
175.03993	16.7
176.04767	3.6
177.05540	2.2
178.02721	0.7
179.03479	3.2
179.05557	0.5
179.07111	0.6
180.04274	7.1
181.05006	1.1
184.03691	0.5
188.04758	3.7
189.05560	7.0
190.06345	18.1
191.03519	1.3
191.07129	11.9
192.04242	0.9
193.05043	7.8
194.05843	6.7
195.06512	0.8
203.03447	0.9
203.07127	2.3
205.08681	15.2
207.06606	7.1
207.10216	0.4
208.07399	11.2
209.04649	0.5
209.07736	0.7
219.03000	0.8
222.09003	2.1
223.06120	0.9
223.09732	0.7
225.11298	1.4
237.04044	1.6
265.08563	0.5
269.04517	3.2
269.12659	0.7
284.03198	0.5
285.04080	1.0
286.04279	0.5
287.04672	0.7
291.13156	0.5
299.02100	0.7
299.05536	0.8
314.04269	0.9
327.08801	1.8
344.12769	0.7
357.26318	0.5
359.11331	0.8
374.13486	1.9
375.27505	0.6
389.16058	100.0
390.16403	10.0
401.16138	0.4
415.14328	0.6
419.16934	1.3
420.17175	0.5
447.13089	0.5
477.16257	0.6
491.13000	0.4
519.31775	7.7
520.32379	0.7
533.20190	1.3
537.32672	1.4
563.21332	0.5
579.33899	1.0
581.22748	0.7
623.17578	1.4
623.26898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07420	0.9
53.67867	0.7
59.01376	12.3
61.87276	0.7
61.98806	1.8
65.54737	0.7
69.44460	6.7
71.01383	5.4
73.02927	1.5
83.01350	1.4
85.02912	1.2
87.00874	1.0
89.02459	1.7
95.01374	0.8
101.02442	3.0
107.01395	1.2
108.02214	1.2
109.02968	1.4
113.02435	2.7
119.05015	1.9
120.02110	0.7
120.51475	0.9
135.04498	3.4
137.02461	1.0
137.69792	0.8
137.93431	1.1
145.02908	1.0
148.01697	1.3
149.00862	1.0
149.06081	0.9
151.00395	5.1
151.04034	1.2
153.01891	1.7
161.04570	1.4
163.00349	1.8
163.04001	1.4
174.39185	0.9
175.03957	3.1
177.05588	0.9
179.03487	1.6
180.04224	1.0
183.04433	1.3
187.04062	0.9
188.04689	0.8
189.05499	1.3
190.06299	2.0
191.07082	0.8
199.03943	3.8
201.01933	0.8
205.08710	1.8
208.07343	1.6
215.03455	2.3
221.04457	0.8
227.03500	5.7
233.06665	0.8
237.03885	1.2
242.02271	4.0
243.02954	28.5
244.03502	3.2
254.02261	1.3
255.02963	16.9
256.03430	1.3
257.04565	3.4
259.05984	1.2
270.01605	3.5
271.02454	45.9
272.03058	5.7
285.03979	6.1
286.04813	2.2
287.05652	1.9
299.01974	47.0
299.14740	0.9
300.02713	40.2
301.03101	3.6
313.71991	0.8
314.04330	35.8
315.05075	100.0
316.05344	7.1
357.06207	1.4
357.26294	1.1
389.16083	12.1
419.17178	1.1
519.31769	12.5
537.32843	3.2
579.33630	1.7
623.16150	99.2
623.25586	4.1
624.16400	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	623.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.8
61.98817	0.8
63.02384	0.9
64.79349	0.7
65.11777	0.6
69.70500	3.6
69.70912	1.5
71.01391	4.1
72.99333	1.0
73.02956	1.3
79.95663	0.7
83.01374	1.0
85.02935	2.1
87.00862	1.9
89.02451	3.6
93.03453	0.9
95.01363	1.2
97.02966	0.8
98.19840	0.9
101.02450	3.8
107.01385	1.3
107.05036	1.6
108.02175	2.6
109.02977	1.8
109.06570	1.4
111.77941	0.7
112.98803	1.2
113.02473	4.6
113.56792	0.7
117.03449	2.1
119.03493	1.3
119.05005	2.5
121.02948	0.9
123.04527	1.8
125.02428	1.4
133.02888	1.1
133.06624	1.7
133.07773	0.7
134.03717	1.4
135.04555	4.0
137.02408	3.8
139.03964	1.0
145.02927	2.9
147.04492	2.6
148.01697	0.7
149.00908	2.1
149.02342	0.9
149.06102	1.9
151.00363	5.3
151.04015	4.7
152.01157	2.4
153.01881	1.7
153.05537	1.1
158.03697	0.8
159.03354	0.7
159.04482	4.1
161.02422	1.3
161.04503	2.1
161.05840	0.7
163.00383	1.3
163.04016	6.0
163.11244	1.6
165.05518	1.3
167.03552	1.0
173.02403	0.7
173.06039	0.8
173.09709	1.3
174.03229	2.9
175.04008	18.1
176.04741	2.6
177.01991	0.8
177.05539	4.7
179.03506	3.7
179.05672	1.0
179.10730	1.9
180.04282	6.3
181.05014	1.3
183.04494	1.1
187.04037	1.0
188.04779	3.0
189.05553	5.7
190.06346	18.6
191.07126	10.9
192.04382	1.0
193.05035	6.6
194.05836	6.9
199.03952	4.5
200.04483	0.8
203.03494	8.7
203.07118	2.4
203.10928	1.1
205.08675	13.9
207.06693	6.1
207.10258	5.1
208.07419	10.0
215.03441	2.4
216.04169	0.7
219.02951	2.2
221.04529	3.2
221.11876	3.6
222.08957	2.6
223.09645	1.0
225.11246	4.1
227.03508	4.8
229.01401	0.9
237.04094	3.8
242.02220	3.2
243.02982	28.0
244.03461	2.9
254.02147	1.6
255.02997	17.4
256.03464	1.8
256.76218	0.9
257.04489	3.3
270.01834	4.5
270.04385	1.1
271.02472	48.5
272.03024	7.1
280.70401	0.7
284.03238	1.6
285.04004	7.5
286.04742	2.1
287.05582	2.2
299.01984	51.1
300.02731	38.9
301.03113	2.4
303.63120	0.7
313.03326	1.2
314.04324	41.1
315.05057	100.0
316.05457	7.5
328.09265	0.8
357.05960	1.1
359.11386	0.9
374.13757	2.1
389.16061	97.5
390.16382	9.3
396.31360	0.8
397.13495	0.9
415.14355	1.1
419.17078	2.6
461.09561	0.9
491.13651	1.0
519.31610	6.4
537.32709	1.6
615.07068	0.8
623.16150	95.9
623.24939	5.4
624.16461	14.8
624.25598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34250	0.3
59.01377	3.9
61.98817	0.5
63.38012	0.3
71.01366	2.1
71.61723	0.7
71.69841	0.3
72.99326	0.5
73.02950	0.8
75.00880	0.3
78.74330	0.3
85.02924	0.5
87.00899	1.3
89.02447	4.7
93.03463	0.6
96.96053	0.3
99.00876	0.6
101.02468	2.1
103.00372	0.4
109.02960	0.6
117.03565	0.3
119.03531	0.5
119.05010	0.9
120.01256	100.0
121.01574	1.6
123.04517	0.5
128.03445	0.4
131.03525	0.8
133.03021	0.6
135.04526	1.9
137.02451	0.4
137.06100	0.4
145.02957	0.4
149.00893	3.0
149.04575	3.8
161.02467	1.0
161.04562	0.6
163.04008	0.8
179.03462	0.7
179.05725	0.6
186.04561	0.3
189.05392	0.3
191.05627	0.8
197.08171	0.5
211.07607	2.6
212.08014	2.0
217.57149	0.4
219.02927	0.3
221.06554	0.6
233.73209	0.4
239.10693	0.4
251.07518	0.7
252.07497	0.5
296.09967	0.5
299.01984	0.6
311.09845	1.1
327.15976	1.0
339.05121	0.5
357.09650	0.6
358.10110	1.4
359.18695	1.3
460.15750	0.5
490.14569	0.7
491.14105	0.5
622.16431	0.6
622.25647	6.1
623.25671	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
59.01379	13.5
61.98824	1.7
64.89352	0.5
65.59474	0.7
69.03411	0.7
70.21307	1.4
70.21700	1.2
70.82616	0.6
71.01383	4.9
72.99303	1.4
73.02951	1.6
81.03459	0.7
83.01390	1.6
85.02943	3.2
87.00893	2.5
88.98812	1.1
89.02441	2.5
93.03429	0.9
95.01383	0.7
97.02953	1.2
99.00868	1.8
101.02461	3.5
101.81354	0.5
107.01405	1.0
108.02167	1.5
109.02951	2.1
109.06573	1.2
112.98842	1.3
113.02476	3.0
115.22813	0.6
119.03524	0.8
119.05024	1.9
121.03049	0.7
123.04558	1.0
125.02505	0.9
133.02968	1.0
134.03792	1.2
135.04530	5.1
137.02449	2.5
145.02924	0.9
147.04539	1.1
149.00922	1.7
149.06091	0.9
150.03259	1.0
151.00333	2.0
151.04033	0.6
152.01143	1.2
153.01996	0.9
159.04454	0.9
161.02441	0.8
161.04692	1.3
161.05991	0.7
163.00365	1.1
163.03986	3.7
163.11279	1.3
167.03520	0.6
171.04660	0.7
175.03975	5.3
176.04732	0.8
177.01942	0.9
177.05560	1.6
179.03464	2.1
180.04265	2.1
181.12329	0.9
182.88626	0.6
188.04854	0.9
189.05606	1.4
190.06345	5.4
191.07129	3.0
193.05057	2.5
199.03931	3.0
201.02051	1.3
203.03470	2.0
205.08669	2.5
207.06651	1.7
207.10228	5.2
208.07463	2.1
215.03539	1.2
219.02798	0.8
221.04521	0.8
221.11809	0.8
225.11311	7.5
226.02740	3.7
227.03445	1.8
230.99815	0.6
237.03931	1.7
243.02957	9.7
243.12375	0.8
244.03226	0.8
254.02278	4.7
255.02884	4.2
271.02475	75.5
272.02911	7.4
284.03345	0.7
285.03931	0.8
299.01971	50.7
300.02725	57.6
301.03226	3.7
314.04236	2.6
315.05093	100.0
316.05450	6.7
357.06281	1.0
374.13669	0.7
389.16077	19.9
390.16254	1.5
415.14243	1.1
491.15125	0.7
519.31702	9.1
520.31952	0.8
537.32947	2.7
579.33960	1.1
608.13989	2.3
609.13751	1.0
623.16132	84.1
623.25317	7.1
624.16504	12.3
624.25458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	26.8
61.98827	4.1
71.01379	6.8
71.62328	1.3
72.99311	2.4
73.02931	1.6
83.01392	1.9
85.02953	3.1
87.00883	20.7
89.02460	4.7
93.03462	8.5
99.00873	1.8
101.02444	5.5
103.00382	3.1
106.88209	1.2
109.02953	2.6
110.02480	1.9
112.98804	6.0
113.02451	3.8
119.03669	2.6
119.05029	100.0
120.01272	3.1
120.05378	5.0
121.02934	3.7
123.03286	2.5
123.04546	2.4
125.02478	1.6
130.99893	2.0
133.02957	2.9
133.06604	2.7
134.03752	1.5
135.04526	17.2
136.04021	5.0
136.04893	3.0
137.02432	4.7
138.02800	1.4
138.05611	14.6
141.92558	1.4
143.04622	1.5
145.02963	2.4
145.06580	1.8
146.03413	1.6
149.00989	6.4
151.00380	4.4
153.05560	1.6
160.01704	1.3
161.02429	5.1
161.04604	2.1
163.04018	74.1
164.03514	72.5
165.03911	3.0
166.02673	8.5
167.03149	4.5
175.04028	1.4
177.05792	1.1
179.03508	11.0
179.05061	1.3
179.05699	1.6
180.03848	3.2
180.06648	2.2
181.05066	12.7
182.05441	3.2
193.04907	1.7
199.97182	1.3
207.10312	1.8
219.03017	1.8
225.11278	4.9
229.77415	1.3
237.09087	1.8
239.10820	4.8
246.05859	1.3
268.03778	3.1
271.02612	1.7
283.05954	3.5
293.03116	1.7
306.07758	1.8
315.01489	1.6
325.09296	12.2
326.08841	42.9
327.08920	9.1
328.09085	2.8
329.11395	2.3
359.16208	1.6
403.13803	2.6
417.15649	8.6
418.15881	16.7
490.13565	49.7
491.13641	19.3
491.20441	2.3
622.14294	3.0
623.13287	2.4
623.25482	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.5
58.00585	0.9
59.01093	1.7
59.01378	22.7
61.98820	3.5
67.39417	0.9
69.03460	1.1
69.65570	6.0
70.04271	0.9
71.01394	6.8
71.05012	0.9
72.99303	2.1
73.02950	4.7
82.47637	0.8
83.01343	1.2
83.05025	1.3
84.17207	0.9
85.02948	3.2
87.00878	3.6
88.98787	1.4
89.02444	2.8
93.07090	2.1
97.06566	1.5
101.02436	5.6
112.98792	2.2
113.02447	3.3
119.04996	2.5
135.04526	5.2
137.02411	1.0
149.00932	2.3
149.02332	1.5
150.03235	4.8
161.02405	1.0
161.04504	1.0
163.04048	1.7
165.05562	2.4
172.24303	0.8
174.03163	1.0
175.03932	1.0
179.03506	2.8
183.13896	2.5
189.05605	1.2
211.13451	2.2
225.07678	1.6
232.07448	1.4
233.08095	1.4
243.15973	2.4
247.09770	2.0
252.04210	2.9
267.06677	4.3
270.32007	0.8
277.62195	1.0
299.01852	1.1
300.02634	1.2
325.23792	1.9
327.08408	1.4
341.10297	3.6
343.24985	5.5
355.24911	11.0
373.25943	100.0
374.26294	8.6
399.14511	5.9
415.27075	2.5
417.15533	6.0
446.64017	1.1
489.26874	3.9
500.73712	1.0
517.30042	3.8
519.11420	1.1
535.31158	7.0
577.32269	35.9
578.32898	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53460	1.2
55.01857	1.9
57.03441	4.4
58.00592	2.0
59.01098	2.6
59.01381	47.1
61.98832	7.2
66.92805	1.1
69.03454	1.7
69.78471	5.2
69.78885	2.1
71.01383	14.0
72.99301	3.0
73.02964	6.3
73.41156	1.2
74.33293	1.5
75.00867	2.7
81.03468	1.3
83.01406	2.8
85.02953	5.0
87.00874	5.9
87.04545	1.3
88.98808	2.7
89.02438	4.8
93.03444	1.6
96.96017	6.3
97.06590	2.4
99.00845	2.3
99.77094	1.2
99.92618	2.6
101.02435	10.6
103.00394	2.1
109.02976	2.2
112.98798	8.0
113.02457	3.9
116.92851	11.0
117.25316	1.3
119.03515	2.1
119.05026	3.4
121.02918	1.5
123.08131	1.5
124.01677	1.8
125.02425	2.7
125.09694	2.1
128.03592	1.3
132.07355	1.4
135.04529	7.2
135.90262	1.4
137.02426	5.2
137.09680	2.4
149.00912	5.7
149.02370	1.8
150.03160	1.9
151.04086	2.3
155.10858	1.9
161.02484	2.0
161.04492	1.8
163.04016	2.0
165.05611	2.5
171.10254	4.6
177.05434	1.6
179.03493	4.8
185.11823	1.9
225.07603	1.5
227.44781	1.4
257.17508	2.5
285.04120	1.9
285.07208	1.4
285.20673	1.6
293.20264	1.6
300.02692	1.6
315.05048	2.1
325.23633	3.0
343.24863	3.8
355.24820	11.0
356.25299	1.5
357.26367	1.8
373.25943	100.0
374.26157	7.0
399.14410	3.1
415.27197	2.0
417.15570	5.6
489.26407	3.9
497.75360	1.4
517.29736	8.9
535.31122	11.1
536.31677	1.9
577.32281	86.6
578.32800	11.7
585.54224	1.5
621.34485	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13144	0.9
57.03453	8.6
59.01091	1.5
59.01383	25.3
61.98823	1.8
66.96745	0.8
69.46825	6.9
71.01381	10.4
72.99305	3.2
73.02956	6.0
83.01390	2.8
85.02943	3.1
85.06593	3.1
87.00864	3.1
88.98859	0.9
89.02438	3.5
90.94669	1.0
93.03448	2.0
95.01396	1.6
96.96010	1.8
97.06596	2.0
99.00903	1.3
101.02434	5.9
107.05103	0.9
112.98820	2.2
113.02429	5.5
116.92844	1.4
119.03519	1.3
119.05021	2.8
122.02497	1.6
123.00851	1.9
125.02451	1.3
133.04184	0.9
133.05043	5.4
135.04541	5.1
137.02454	8.6
143.10742	3.9
149.00911	2.8
151.00375	11.4
152.01112	2.0
152.04712	1.3
161.02397	1.7
161.04561	1.7
163.04007	3.1
165.12714	0.9
166.02711	32.5
167.03316	1.8
175.03957	2.0
177.01886	1.8
179.03412	3.1
181.05074	43.3
182.05463	1.3
192.04193	1.1
193.05063	0.9
197.15448	3.1
203.03410	1.0
219.02989	1.0
285.04004	2.0
327.08847	1.8
343.24866	3.5
350.48422	1.0
355.24933	15.2
373.25955	100.0
374.26315	8.0
387.10876	9.5
387.27905	1.6
402.13025	4.6
415.27264	2.1
417.15576	60.1
418.15945	6.6
489.26807	3.2
517.30090	2.8
518.77057	1.0
535.30884	1.5
561.29071	1.3
577.32239	15.3
578.32813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
58.00594	1.1
59.01095	1.5
59.01380	27.0
61.98838	8.0
65.82697	0.9
68.90668	0.7
68.99814	1.0
71.01379	5.8
71.61983	1.7
72.99306	3.4
73.02955	2.1
75.00874	0.7
78.95894	0.8
82.04182	0.8
83.01366	1.3
83.04983	0.7
84.99292	1.5
85.02949	1.2
86.05054	0.8
87.00877	15.0
88.98796	2.2
89.02444	1.8
96.36832	0.8
96.95982	0.8
97.02942	0.7
97.06599	1.0
99.92564	1.4
101.02434	3.0
103.00359	4.5
107.05022	1.1
109.02942	3.8
111.08152	3.7
112.98811	17.8
113.02457	2.1
114.05614	0.9
115.92068	2.1
116.92867	9.9
119.03522	1.1
119.05069	1.1
121.02949	1.9
125.06178	0.8
127.00356	4.2
130.99850	2.6
133.02954	5.6
134.03764	4.6
135.04529	63.4
136.04848	2.5
137.02455	6.1
139.00360	3.5
140.38345	0.8
145.02943	1.1
147.04495	1.2
149.00897	4.0
149.02435	1.0
151.04010	1.1
159.04477	0.9
161.02441	13.6
161.04485	1.5
163.03996	6.1
169.12361	1.7
171.10265	2.1
173.02513	1.3
175.03960	1.2
177.05577	1.7
178.02621	0.8
179.03496	42.6
180.03821	1.0
181.12335	1.3
186.93430	2.5
191.03490	4.9
193.12346	0.8
197.11844	17.0
198.12338	0.7
199.13342	3.1
205.04976	1.1
209.11688	1.3
211.13437	3.5
219.02977	16.0
220.03540	1.1
221.04767	1.4
221.11821	1.4
231.02924	4.5
236.67949	0.8
239.16516	3.4
275.02005	1.9
291.19650	2.3
293.03018	25.1
294.03467	1.5
303.96802	0.8
309.20663	1.6
327.21753	100.0
328.22018	8.1
339.96008	0.9
351.21869	1.1
357.26343	1.5
426.38708	0.8
445.25516	1.0
459.22345	30.0
460.22888	3.1
481.09891	0.8
577.34784	0.8
621.32660	2.1
640.14563	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61842	1.1
57.03441	1.9
58.00585	1.7
59.01378	39.9
61.98829	7.4
68.99816	1.2
69.58111	7.3
71.01381	6.4
72.99316	4.3
73.02953	2.0
76.30870	0.9
80.60057	1.0
84.99317	2.8
85.02956	2.6
87.00877	23.1
88.98808	1.3
89.02451	2.4
95.01404	1.0
96.99360	1.2
97.02950	1.9
97.06593	2.7
97.42425	1.0
99.00848	1.2
99.92586	1.2
101.02437	3.4
103.00364	10.2
106.86009	1.0
107.05038	1.9
109.02949	6.6
111.00877	1.5
112.98805	26.6
113.02437	2.3
116.92860	6.5
119.05022	2.3
121.02947	9.3
127.00356	5.1
130.99866	6.8
133.02925	7.6
134.03751	7.0
135.04523	96.0
136.04852	3.4
137.02478	6.6
138.62004	1.1
139.00360	4.1
145.02963	1.4
147.04529	1.4
149.00912	3.3
149.06061	1.8
159.04416	1.1
161.02452	18.8
161.04572	1.3
163.04019	9.0
171.10262	4.3
172.46049	1.2
175.04056	0.9
177.05550	1.3
179.03497	69.2
180.03833	1.6
181.08684	15.4
183.13922	1.6
185.11797	0.9
187.03957	1.3
191.03471	6.9
203.03435	1.1
205.05049	1.4
211.13380	9.3
212.68196	1.1
219.02971	20.5
220.03380	1.3
221.04675	1.0
221.11751	1.6
229.14404	8.3
231.02972	5.0
239.12662	1.2
275.02078	1.8
291.19711	3.3
293.03036	35.6
294.03482	2.0
309.20776	1.3
327.21750	100.0
328.22113	8.7
355.24957	1.3
373.25967	9.3
374.26059	1.1
383.14978	1.1
385.14722	1.3
459.22342	49.7
460.22803	2.9
489.30975	2.5
577.32794	1.8
621.33624	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99014	1.1
59.01377	5.2
59.57752	1.1
69.51041	9.0
73.02940	1.3
79.53712	1.0
95.01398	1.3
98.19901	2.5
100.69839	1.1
104.25592	1.3
109.02926	3.4
111.00900	1.1
123.00852	2.4
124.31989	1.6
135.04517	2.1
137.02457	8.5
149.02444	1.3
151.00380	17.7
152.04773	3.2
166.02707	58.2
167.03168	2.7
177.02010	3.2
181.05054	73.2
182.05327	3.4
190.06349	2.2
193.05034	1.3
205.16806	1.3
207.06529	1.5
359.11182	2.1
387.10837	13.1
388.11011	1.2
402.13248	6.4
417.15540	100.0
418.15912	8.7
489.26721	4.6
577.32141	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	621.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31558	5.4
51.57543	5.3
55.23607	5.6
59.01384	100.0
61.98827	82.6
67.25439	5.1
70.98593	5.1
71.01385	27.9
71.61703	7.9
72.99318	9.7
73.02966	14.2
75.00870	9.5
78.95935	5.9
83.01370	10.5
83.05055	7.7
85.02943	14.1
87.00883	31.0
88.98841	33.1
89.02444	12.3
91.37346	5.6
95.55698	6.0
96.95995	5.9
99.00861	11.0
99.92604	11.8
101.02446	8.5
103.00346	8.3
109.02977	10.7
112.98801	36.7
113.02483	15.6
115.92066	5.8
116.92860	42.2
119.05032	22.5
121.02943	10.0
123.04504	8.2
125.02425	25.0
130.99847	6.7
133.02951	16.6
134.03745	10.1
135.04529	29.3
147.04437	6.9
149.00935	43.5
149.06108	11.7
150.03276	8.9
161.02467	9.7
163.04089	14.5
165.05579	10.7
171.10294	92.3
179.03462	13.9
183.10268	6.8
186.93404	11.9
195.10265	11.2
221.11847	19.6
227.12914	5.5
283.13440	7.7
285.04245	7.3
327.21704	17.3
337.47241	5.9
373.16476	58.3
374.16922	9.6
445.25781	12.5
455.16058	6.5
459.22388	8.4
577.22809	13.5
621.32782	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	619.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18929	4.4
54.22565	4.3
59.01384	26.8
59.64697	4.0
61.17506	4.5
61.98823	17.2
63.52995	4.4
64.14847	4.0
69.65579	31.4
71.01387	8.0
74.52216	4.6
85.02951	5.9
87.00871	11.3
88.98855	10.2
89.02458	5.4
96.96020	5.3
97.02947	14.4
112.98794	15.6
113.02495	4.6
119.05060	5.8
135.04526	4.9
163.04071	4.4
165.12849	8.9
171.10258	12.8
174.08829	4.5
209.11903	5.8
227.12721	7.3
247.20715	9.0
281.80734	4.8
285.24008	4.6
291.19696	61.6
292.19800	4.8
309.17178	7.0
309.20703	100.0
310.21030	9.3
357.26450	9.6
388.56030	4.5
405.89249	4.6
487.34033	6.2
513.00507	4.6
550.84583	4.6
642.84344	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	621.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.8
61.98831	3.1
66.78542	0.6
69.29545	5.4
71.01373	4.4
72.99306	2.7
73.02930	0.7
74.58478	0.6
76.15584	0.5
76.86676	0.6
80.02692	0.6
83.01395	1.2
84.99303	1.4
85.02963	1.7
87.00873	10.6
88.98813	1.6
89.02464	3.5
89.02920	0.5
93.03456	5.8
93.23543	0.6
95.01389	0.8
96.96031	0.8
96.99271	0.9
97.02953	0.6
99.00863	1.1
101.02443	2.8
103.00371	1.9
105.01885	0.8
107.05049	0.8
108.02149	1.3
109.02946	5.1
111.00875	0.8
112.98808	16.1
113.02437	2.1
116.92842	0.9
117.03526	0.8
119.03499	1.2
119.05029	17.4
120.05394	0.8
121.02952	1.6
123.04611	0.8
127.00389	4.0
130.99843	1.2
131.04997	1.3
132.02080	0.7
133.02948	6.9
134.03758	2.3
135.04527	41.3
136.04852	1.7
137.02429	4.8
139.00359	2.6
142.99913	0.8
143.05009	3.6
145.02980	3.2
145.06578	1.1
147.04509	1.8
149.00928	10.2
149.02283	1.2
149.06071	2.5
159.04509	1.8
160.01767	0.7
161.02455	12.7
161.04561	0.9
161.06110	1.1
163.03998	14.0
174.01622	1.7
175.04016	1.9
177.05557	2.2
179.03496	26.5
180.03853	1.7
187.04126	1.0
191.03502	4.8
195.04594	1.0
201.01991	0.7
203.03430	1.0
205.05049	1.8
209.06192	1.1
211.13434	4.1
219.02965	19.1
220.03232	0.9
221.04463	1.8
223.07803	3.0
231.03050	3.3
237.09290	7.1
239.07010	0.8
239.10719	2.4
255.10233	1.2
256.03867	0.7
265.08597	3.1
275.01923	2.3
277.03525	1.0
283.09756	15.2
284.03290	8.4
284.10086	1.3
285.04041	14.9
285.07098	0.4
293.03024	21.6
294.03336	1.4
309.07877	1.3
311.67081	0.6
327.08731	100.0
328.09109	8.1
349.36554	0.7
369.09836	1.3
430.41589	0.7
447.22723	0.8
457.13599	0.9
459.09320	8.0
460.09830	0.9
489.12341	1.0
621.14600	14.5
621.24719	1.4
622.15082	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	619.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.4
60.22028	0.9
60.99316	13.8
61.98828	3.1
70.64215	2.0
70.64557	1.4
71.01385	3.1
72.99319	2.5
85.02962	1.2
87.00880	4.2
88.00417	3.6
88.98814	100.0
89.02444	14.2
98.47825	0.9
101.02472	1.2
103.00367	1.2
109.02906	2.5
112.98806	3.5
113.02455	1.7
133.02933	2.1
134.03737	3.7
135.04543	4.6
137.02461	1.6
138.12987	0.9
140.25804	0.9
147.04576	1.1
149.00922	5.7
149.53085	0.9
163.07770	0.9
178.02698	5.4
179.03519	3.1
185.87297	0.9
189.25909	1.0
253.09273	1.2
291.19644	1.0
309.20096	0.9
310.03363	2.2
323.22247	5.1
410.48120	1.0
425.23245	1.1
443.24545	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	619.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	29.8
60.32180	2.7
60.99310	17.9
61.98830	13.9
64.10818	2.7
70.00671	8.8
70.01093	6.3
71.01392	15.7
72.99297	3.2
73.02964	4.3
83.01394	4.0
85.02947	5.5
86.67744	3.0
87.00867	17.2
88.00384	3.1
88.98809	100.0
89.02448	25.9
90.40494	2.8
101.02433	7.0
103.00388	3.0
109.02954	8.6
112.98805	7.3
113.02437	7.7
121.02978	4.6
123.04560	3.5
130.99892	2.7
133.02963	9.0
134.03722	9.4
135.04549	23.5
137.02434	12.2
149.00920	18.2
150.03203	6.3
153.05502	3.1
177.01939	6.0
177.05568	2.8
178.02689	14.1
179.03520	9.5
189.78535	2.6
203.10831	3.2
258.58148	3.1
291.19382	3.1
309.20633	3.2
356.15945	4.9
357.16321	4.7
396.11359	2.9
425.23178	4.1
443.24319	11.1
487.23233	15.0
619.31738	5.3
619.42181	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	619.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03437	2.1
57.03440	5.3
59.01381	83.1
61.98836	6.1
66.35070	2.6
67.08408	2.2
67.20956	2.1
71.01382	42.9
72.99312	7.3
73.02939	15.2
75.63631	2.5
85.02971	12.6
85.68607	2.5
87.00880	20.6
89.02444	30.6
90.83402	2.5
93.03474	4.3
95.01382	3.4
101.02439	21.3
103.00376	6.8
109.02948	6.7
111.00858	3.1
112.98813	23.0
113.02448	22.0
117.03503	4.2
119.03521	8.7
119.05021	48.4
119.63699	2.4
120.05341	3.1
121.02946	6.9
123.04528	3.9
127.00414	4.3
130.99863	3.5
131.03499	3.8
133.02954	6.6
134.03691	4.5
135.04529	100.0
136.04834	5.0
137.02420	6.7
137.06097	7.4
139.00401	2.7
145.02950	12.2
147.04515	5.9
149.00883	11.5
149.02373	2.8
149.04558	4.8
149.06094	5.3
150.03188	5.3
152.01143	5.8
159.04468	2.5
161.02444	30.2
161.04517	11.5
161.05869	2.4
162.03191	2.9
163.02699	4.3
163.04018	59.0
165.05530	5.4
175.04010	7.1
177.05592	5.1
179.03506	70.2
179.07083	7.8
180.03931	4.0
180.07436	3.3
181.05048	21.6
187.03867	2.7
191.03493	3.2
203.03531	10.6
205.05049	5.7
210.16309	2.7
219.03099	16.3
221.04573	11.6
231.03000	3.5
275.01941	2.8
277.03491	13.1
293.03049	24.2
325.09277	12.8
341.08820	6.3
346.90317	2.4
383.09787	5.3
439.92938	2.6
455.08261	2.9
457.09637	18.2
475.14438	10.9
487.12363	7.0
517.15570	4.9
530.02423	2.8
559.27368	2.8
619.20355	5.0
625.19232	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	619.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.1
58.00591	3.1
59.01098	4.0
59.01380	67.0
61.98830	6.4
71.01389	27.0
71.20354	3.4
72.99299	7.7
73.02943	16.1
83.01383	4.9
85.02934	8.7
87.00383	2.2
87.00879	22.5
89.02451	24.0
93.03446	2.9
96.47960	1.7
99.00881	3.4
101.02444	18.4
103.00368	7.5
103.94723	1.9
108.02142	3.0
109.02950	8.4
112.98831	23.0
113.02460	19.3
117.03470	3.8
119.03514	8.6
119.05027	47.0
121.02979	4.7
125.02479	2.5
127.00349	4.2
130.99847	4.1
131.03494	3.2
133.02902	8.9
134.03696	6.3
135.04532	100.0
136.04889	1.8
137.02452	7.0
137.06024	9.9
139.00360	3.1
143.03525	4.8
145.02942	11.7
147.04521	7.1
149.00902	6.9
149.02435	5.8
149.04559	5.7
149.06053	6.5
150.03154	4.1
152.01115	3.9
159.04543	2.4
161.02455	24.4
161.04553	11.5
161.05969	4.4
163.02702	3.7
163.04021	53.9
164.04333	2.8
165.05608	4.3
175.03957	7.0
177.05586	6.8
179.03510	57.9
179.05524	6.9
179.07127	6.6
180.07443	2.5
181.05060	14.5
182.38963	2.0
187.03993	2.3
189.05495	2.4
191.03500	5.0
193.22826	1.9
194.05843	2.8
195.06587	2.1
203.03529	11.2
205.05028	5.1
212.05049	1.8
215.03473	2.4
219.02991	16.5
219.12308	2.4
221.04634	10.2
231.02881	2.9
234.97398	1.9
263.07892	2.2
264.00565	2.0
268.09528	4.3
275.02039	2.0
277.03543	17.5
293.03036	20.6
325.09186	11.8
326.09824	2.6
341.08920	11.0
383.09741	5.1
455.08270	3.8
457.09848	22.4
475.14322	9.0
487.12405	7.1
487.18530	2.5
517.15820	3.6
619.21210	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	619.2561
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.15287	0.5
52.08743	0.5
56.97794	0.5
61.98855	0.7
68.99847	0.6
71.25189	1.0
88.61975	0.5
93.30842	0.5
97.72919	0.5
118.42496	0.5
178.92636	0.5
401.14133	1.8
415.15570	3.6
416.16443	12.2
417.16766	0.8
429.17032	0.9
430.18137	3.3
431.18616	1.7
434.17508	1.0
443.14819	0.6
444.15939	1.6
458.17627	0.9
459.18253	100.0
460.18582	14.8
473.19818	16.8
474.20389	5.6
485.16116	0.8
487.17416	1.2
499.17944	0.8
501.19330	2.2
503.17264	2.8
517.18829	1.7
518.19580	45.5
519.19769	6.4
532.21161	7.9
533.21912	94.8
534.22205	13.9
543.20178	0.8
544.21069	0.6
587.22913	6.6
588.23834	1.3
619.25586	74.0
620.25903	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	619.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43513	1.2
60.26412	1.0
61.98825	4.2
69.50484	8.6
78.95894	1.9
89.55888	1.1
127.52157	1.1
152.99565	1.5
228.72696	1.4
244.78700	1.2
255.23328	3.0
375.01572	1.2
401.14212	1.6
415.15585	3.1
416.16351	11.0
417.17026	1.7
430.18207	2.0
431.18539	1.6
459.18240	100.0
460.18515	12.4
473.19839	15.2
474.20343	6.1
503.16992	3.6
518.11700	1.5
518.19574	44.7
519.20001	4.9
532.21124	8.2
533.21906	84.9
534.22437	11.8
587.22900	5.8
619.25580	75.8
619.34131	2.1
620.25983	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	619.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22562	5.3
59.01377	100.0
60.46571	5.9
64.52761	6.3
68.62009	6.6
69.31090	63.4
71.01392	29.8
73.02966	12.1
85.02970	13.9
87.00912	17.3
89.02434	14.0
93.03470	14.6
93.38673	6.3
96.96013	14.8
101.02470	11.2
111.58567	5.8
112.98788	15.1
113.02444	11.4
121.02930	18.6
123.04531	11.7
125.45032	6.2
130.49904	6.3
134.03650	9.1
135.04561	35.3
137.02466	17.5
147.04507	6.5
149.00859	9.3
149.06070	24.1
150.03238	21.5
165.05560	15.6
166.44920	6.2
179.03487	10.1
193.08661	11.4
209.11716	7.3
219.10207	23.8
223.06207	6.4
283.06073	6.4
305.98926	7.0
371.15076	95.9
372.15009	7.0
443.23895	8.8
575.21710	16.1
619.33569	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	619.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21010	1.9
55.02807	1.8
59.01384	15.6
60.26150	1.7
61.98814	8.1
70.01396	8.7
71.01389	3.3
76.02425	1.8
78.17065	1.8
87.00860	4.3
96.95992	4.7
99.00893	2.1
101.02414	1.9
105.07095	4.5
109.02956	3.7
112.98810	5.0
113.02419	3.7
119.05027	2.4
121.02930	3.1
123.04566	10.7
124.01583	2.4
125.35102	2.0
134.03728	2.8
135.04541	20.4
147.04527	5.5
149.00876	4.5
149.06097	27.9
150.03246	17.5
161.06085	2.3
163.04012	3.9
165.05542	11.3
167.03468	2.7
175.03902	2.5
193.08693	5.5
201.09222	5.9
205.08638	2.6
219.10243	29.4
221.08176	2.7
269.07971	2.8
271.02692	2.3
285.07697	2.5
286.08383	7.3
300.02786	3.5
301.10880	5.1
307.54706	1.9
366.99359	2.0
371.15002	100.0
372.15253	10.6
415.29968	2.8
575.21423	24.8
619.19489	2.5
619.32953	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	619.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.64683	2.1
61.98823	8.1
67.47085	2.2
71.01382	10.5
71.61777	2.8
73.02934	3.1
78.70435	2.3
85.02959	7.8
87.00900	7.8
89.02454	4.8
101.02477	4.9
109.02953	4.0
112.98814	12.6
113.02477	5.9
121.02943	4.7
124.01661	3.3
125.09748	3.0
133.02983	21.0
134.03735	12.7
135.04550	27.8
137.02434	8.7
139.03955	3.1
143.03610	2.5
149.00917	8.5
149.02289	2.7
150.03239	39.7
151.03964	4.1
161.04610	4.1
163.04092	3.8
164.04813	6.8
165.05569	23.1
171.10313	6.4
174.18633	2.2
177.01918	7.7
177.09137	3.1
178.02686	8.7
179.03439	16.0
183.13895	7.1
187.07579	3.8
189.09233	3.3
193.08794	4.8
203.07089	3.6
204.07817	2.9
205.08673	15.6
219.10258	46.1
226.69113	2.4
231.10252	2.9
261.56781	2.8
291.19690	10.9
307.19131	8.4
308.02271	2.2
309.20728	27.0
371.10226	4.5
371.14984	81.9
372.15396	8.0
383.22122	3.0
425.23474	4.1
443.24530	18.1
487.23184	8.6
575.21765	14.1
618.31958	3.9
618.40997	3.4
619.31738	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	619.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20713	3.4
59.01380	39.8
59.17965	3.6
71.01381	11.0
71.32035	7.4
72.99305	9.8
73.02941	10.3
80.43173	3.5
87.00880	22.9
89.02438	6.3
96.95999	5.5
101.02450	7.4
103.00327	7.0
107.17494	3.9
112.98801	7.7
113.02444	4.5
115.29041	3.4
123.04511	8.5
135.04538	32.5
145.03018	4.0
149.00922	69.5
149.06096	29.2
150.03223	24.4
165.05609	9.5
177.98187	3.5
178.02687	3.6
179.03476	5.2
193.08632	11.0
201.09264	4.2
219.10277	24.8
283.13318	18.3
301.10992	8.9
301.14435	17.3
371.14960	100.0
371.24115	9.0
372.15137	10.1
443.24200	24.2
575.21570	22.3
575.29340	5.9
619.33459	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	619.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.9
57.69445	5.3
59.01379	100.0
61.98828	23.8
69.49708	41.0
71.01370	40.9
72.99315	16.9
73.02946	12.1
83.01378	6.1
85.02958	14.6
87.00882	35.7
88.98811	7.6
89.02442	18.8
93.03470	9.8
94.58047	4.6
95.01363	6.4
96.96017	11.7
99.00897	8.4
101.02451	21.2
103.00308	9.9
105.49354	4.7
108.02167	5.7
109.02956	26.1
112.98807	55.3
113.02431	13.6
116.92857	8.7
119.03434	6.4
119.04998	28.9
121.02932	8.7
123.04492	12.7
125.02390	5.4
130.99908	6.8
133.02997	10.8
134.03712	16.2
134.06100	9.4
135.04536	36.2
136.01703	5.5
137.02440	22.3
138.05603	7.5
143.04984	6.0
145.02948	16.0
147.04482	18.2
147.55164	4.4
149.00951	30.7
149.02013	4.2
149.06064	8.2
150.03259	10.9
151.03976	9.0
159.04506	10.0
161.02425	12.6
161.04590	7.4
161.06032	11.1
163.03979	15.9
165.05582	11.2
171.10217	7.5
175.03954	11.5
178.02679	7.1
179.03487	28.4
193.05006	9.8
203.03461	12.4
219.02946	6.6
219.10233	16.1
235.07684	10.8
251.07109	9.0
253.08708	26.0
277.03510	10.1
297.07718	10.9
325.20123	6.3
357.09753	9.9
371.15039	51.5
371.24265	10.0
372.15158	10.4
443.23480	10.7
445.97110	5.7
469.15137	6.9
487.15854	12.1
575.22009	11.6
575.31293	17.8
619.33514	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.5
61.98828	2.9
69.93423	2.1
69.93817	2.9
71.01399	7.1
72.99313	2.8
73.02931	4.4
83.01362	2.7
85.02917	1.9
87.00879	15.0
89.02451	11.1
89.53636	1.2
93.03462	1.5
98.20523	2.0
99.00847	1.3
101.02451	5.9
103.00368	3.7
106.85368	1.2
109.02937	2.7
112.98807	12.4
113.02431	3.9
117.03411	2.1
119.03536	1.4
119.04221	2.4
119.05024	29.2
121.02949	2.4
126.35824	1.4
127.00404	2.6
130.99832	3.1
133.02966	4.0
134.03706	4.0
135.04527	94.3
136.04893	3.0
137.02434	4.9
137.06097	2.5
139.00380	2.1
145.02957	8.6
147.04526	3.3
149.00923	2.6
149.02473	1.6
149.06085	2.2
150.03242	1.4
153.05548	3.3
161.02452	14.5
161.04561	2.4
161.06012	2.3
163.04007	38.9
164.04559	1.8
165.05594	2.1
171.06628	1.2
175.03996	1.8
177.05505	3.4
179.03496	100.0
180.03836	3.0
181.05037	6.8
187.03969	1.5
191.03470	2.5
195.06651	2.7
203.03447	5.8
205.05031	1.9
215.03532	2.0
219.02960	13.6
221.04488	4.7
231.02905	2.6
268.09921	1.9
275.01840	1.6
277.03592	7.1
293.03000	18.6
294.03143	1.7
307.07928	2.1
323.07559	1.9
325.09250	13.2
341.08832	5.8
402.19641	1.3
443.13538	1.5
455.07898	1.4
457.09906	13.7
458.10141	2.4
475.14630	3.8
487.12375	19.1
488.12686	3.5
619.20410	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	619.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.2
61.98830	2.3
65.36806	0.4
68.75352	0.5
68.76588	0.4
68.81757	0.4
70.12642	0.7
70.13013	1.7
71.01367	2.1
72.99316	1.3
73.02962	0.9
83.01347	0.5
83.97794	0.5
85.02954	0.7
87.00877	5.8
89.02471	1.6
93.03473	0.7
96.96010	0.8
99.00841	0.5
99.92595	0.7
101.02451	1.3
103.00392	0.9
107.05052	0.8
109.02975	1.1
112.98804	3.7
113.02448	1.1
115.92075	1.0
116.60090	0.4
116.92873	3.2
117.03474	2.0
119.05024	3.7
121.02931	0.6
123.04496	0.4
127.00350	1.1
130.99893	0.8
133.02948	1.5
134.03751	2.3
135.04527	78.0
136.04865	2.6
137.02463	2.9
142.84094	0.5
145.02950	8.8
147.04544	2.0
149.00923	4.6
149.02148	0.6
149.02356	0.6
149.06026	0.7
149.12462	0.5
150.03214	1.4
161.02461	5.3
161.04573	0.5
161.05980	0.5
163.04018	3.3
165.05553	1.2
171.73239	0.4
175.03970	1.1
177.05594	2.0
179.03496	100.0
180.03879	3.9
182.67714	0.5
187.03996	0.9
194.05817	0.5
195.06607	1.1
203.03500	2.5
205.05023	0.6
215.03496	0.8
218.02112	0.8
219.03038	3.3
221.04556	1.6
227.09180	0.6
268.03732	1.1
277.03583	1.7
283.03217	0.4
283.06119	1.9
297.10162	0.5
299.07614	0.7
307.08170	5.4
323.07898	1.1
341.08749	14.4
342.09146	0.7
343.11829	0.9
381.08121	2.1
383.09708	1.1
411.08884	0.6
443.13327	4.7
455.08383	4.6
487.12451	18.0
488.13132	2.6
548.92419	0.5
559.27563	0.6
619.14911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	5.3
59.01379	100.0
59.87344	3.4
61.98832	28.3
62.63285	3.3
68.11234	3.1
69.82085	3.3
71.01036	8.7
71.01380	31.8
72.76147	3.2
72.99294	13.1
73.02924	13.3
75.00880	5.9
78.95142	3.7
83.01385	9.2
83.04995	5.5
84.99301	5.8
85.02938	15.3
87.00868	30.6
88.98804	10.5
89.02444	14.5
89.98836	4.2
93.03465	15.1
95.01365	3.4
95.60117	3.9
96.96023	7.2
97.06606	5.4
99.00895	6.4
101.02451	23.5
102.17775	3.9
103.00377	9.9
108.02127	6.0
109.02945	18.0
112.98799	51.1
113.02451	14.7
119.05031	29.0
121.02924	7.1
123.04531	6.7
125.02419	6.4
128.07150	10.6
130.99846	7.8
131.03506	4.3
133.02925	10.0
134.03760	18.9
135.04527	44.4
136.01637	5.0
137.02446	32.7
138.05592	8.9
139.03983	5.8
145.02940	12.2
146.03612	3.8
147.04480	14.8
149.00905	38.8
149.06068	6.8
150.03204	14.0
151.03996	7.1
152.07237	4.1
154.25909	3.8
159.04482	8.5
160.01761	3.7
161.02441	13.0
161.04605	7.1
161.05991	6.3
163.04022	20.6
165.05507	7.6
171.10225	5.1
174.03195	4.4
175.03932	5.8
175.07631	4.7
177.01912	7.1
179.03517	21.0
193.04990	10.7
193.08710	10.2
203.03432	9.1
205.08655	5.9
219.10234	23.1
235.41290	4.3
253.08701	5.7
268.03787	4.7
277.03503	10.8
283.09488	4.6
293.02942	5.8
299.05453	5.2
307.04578	6.1
325.20074	4.3
353.23239	4.1
357.10211	7.7
371.14999	66.6
371.24246	11.2
372.15106	6.8
432.87411	4.0
443.23071	12.6
455.15176	3.8
457.61145	3.6
487.16159	8.3
487.23438	9.1
575.21796	8.4
575.30731	11.3
619.33838	29.8
619.43158	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	619.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01381	17.9
59.55363	0.4
61.98835	2.4
71.01382	10.3
71.61337	0.7
72.99304	1.9
73.02943	3.2
75.00852	0.5
82.22388	0.5
83.01391	0.8
85.02946	3.3
86.86316	0.5
87.00877	9.0
89.02441	6.2
93.03465	1.0
95.01395	1.2
96.96005	1.6
99.00897	2.1
99.92551	1.2
101.02457	6.5
103.00375	2.0
105.01904	0.7
109.02978	1.3
111.00874	0.7
112.98803	2.6
113.02446	4.6
115.00355	0.6
115.92077	1.3
116.92863	6.2
117.03481	4.1
119.03525	1.9
119.05014	6.3
121.02972	0.5
124.01665	0.7
125.02441	0.9
130.88850	0.5
130.99867	1.5
131.03506	0.9
133.02940	1.8
134.03749	3.4
135.04524	100.0
136.04849	3.3
137.02390	0.8
143.03494	1.3
145.02956	25.0
146.03305	0.7
147.04556	0.9
149.00917	15.0
149.04568	0.8
149.06114	0.8
150.03210	1.4
151.04048	0.9
159.04390	0.7
161.02475	4.4
161.04536	2.8
161.05742	0.6
163.04012	7.9
165.05545	1.7
173.06235	0.7
175.04034	0.8
177.01956	0.6
177.05617	3.4
179.03493	65.3
180.03883	2.5
184.82697	0.5
187.03984	0.7
189.05606	0.6
195.06641	1.1
203.03448	0.6
219.03036	0.6
221.04619	1.4
253.31036	0.5
268.03787	0.8
277.03525	0.7
283.06088	1.0
285.03979	0.7
297.09750	1.6
307.08209	24.5
308.08572	2.1
311.07736	2.1
323.07886	0.9
341.08752	6.8
349.11438	2.4
443.13443	31.2
444.13910	3.3
481.20749	1.2
487.12341	21.8
488.12787	2.2
503.25015	3.9
517.26672	0.7
559.27783	1.5
575.25934	0.9
577.28882	1.4
619.15613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.44621	0.7
63.99260	1.0
78.72096	0.7
78.95924	5.7
98.19881	2.5
101.95611	0.8
125.91453	0.8
152.99568	4.4
157.69731	0.8
168.16643	0.7
238.93416	0.9
255.23341	2.2
256.23697	1.5
367.68045	0.9
473.13651	0.8
523.03955	0.9
618.36816	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
64.39732	0.3
71.01388	0.5
71.60549	0.4
71.61021	0.4
73.02947	0.6
84.43542	0.3
86.86185	0.4
87.00880	0.5
89.02471	0.5
99.92580	8.2
114.93452	0.5
115.00370	0.5
116.92860	100.0
117.01915	0.4
117.92877	5.1
119.05042	1.8
124.67616	0.4
133.01434	1.3
135.04533	0.8
149.00906	0.7
161.02420	0.4
163.04024	1.5
175.03975	0.5
183.55800	0.4
189.05600	0.4
323.13672	0.4
339.07224	1.2
340.07315	0.4
487.15079	0.8
501.12582	0.6
640.28333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4057
Annotation	Lansioside B
Peak:m/z	Relative Intensity
55.01870	1.1
57.03233	0.4
57.03455	5.2
59.01379	2.6
60.95190	0.4
61.98828	6.0
67.01868	0.6
68.99799	0.6
69.03458	0.6
71.01383	3.8
72.99311	1.7
73.02939	0.7
75.00875	30.0
78.95908	1.2
83.01366	1.3
84.02142	0.4
84.94239	0.4
85.02951	23.5
87.00871	1.9
95.01379	3.3
97.02929	0.4
99.00870	1.9
101.02442	0.7
112.01662	1.5
113.02447	11.0
115.00395	0.7
116.95689	0.4
117.01911	0.8
121.02971	0.6
129.01950	0.5
157.01414	0.9
171.10243	0.9
175.02458	0.6
179.07150	1.4
209.11710	0.5
243.01416	0.4
266.52524	0.4
439.35635	1.0
540.29315	0.4
608.99866	0.4
617.40564	100.0
618.40887	15.7
618.51099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01379	4.4
61.98826	11.4
69.69286	3.5
71.01382	9.7
71.05013	5.9
72.00883	0.6
72.99303	1.7
73.02934	1.2
73.52489	0.5
75.23145	0.5
85.02953	1.4
87.00878	4.0
87.87211	0.5
88.04041	23.1
89.02434	1.4
95.01406	1.0
96.96002	4.2
96.96941	1.0
99.00851	1.1
99.04520	1.8
101.02454	1.0
102.35171	0.6
103.00388	1.1
107.05011	0.6
108.02174	36.4
109.02965	11.6
112.98795	2.6
113.02456	1.3
116.07168	1.3
117.03469	0.6
119.05025	7.6
123.00848	0.5
125.02422	1.2
127.35580	0.5
130.99834	0.6
133.02950	1.6
134.03696	1.3
135.04523	17.0
136.04840	1.7
137.02452	1.7
139.00348	0.6
145.02942	1.4
146.08228	13.8
149.00908	2.3
149.02400	0.9
150.03252	0.9
151.04080	0.9
152.01147	76.0
153.01941	4.0
161.02487	2.7
163.03999	11.6
165.05569	1.2
173.00926	0.5
175.03995	0.7
177.01967	0.7
177.05548	0.8
179.02014	1.2
179.03479	11.5
191.03506	0.9
195.06520	0.7
205.05075	0.7
207.03035	1.3
218.10403	3.6
219.02959	3.0
223.94664	0.5
227.07021	0.7
231.02959	0.6
234.91879	0.6
241.07198	1.3
267.05164	1.3
277.03870	0.6
285.06229	1.2
293.03076	3.7
325.09476	3.0
341.09070	0.6
381.08209	0.7
399.09283	16.7
400.09598	0.9
417.10388	8.8
418.10532	0.7
419.43369	0.6
424.17303	0.7
457.09756	4.2
457.15808	0.8
471.11215	3.0
474.13211	0.8
487.12228	1.6
618.20349	100.0
619.20728	12.7
619.30170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89083	1.3
55.01890	2.1
57.03442	2.8
58.00599	2.3
59.01379	100.0
61.98808	4.0
65.06593	1.2
66.44284	1.4
67.31084	1.3
69.40755	12.0
71.01385	36.9
72.99312	4.1
73.02945	16.8
75.00887	2.4
83.01384	6.6
85.02953	14.1
87.00872	8.7
87.04489	3.2
89.02443	28.7
97.02988	2.6
99.00884	17.7
101.02448	27.5
102.04291	1.3
112.98807	16.2
113.02447	19.1
119.03505	8.7
119.05016	3.4
121.02921	1.7
125.02473	2.5
131.03484	4.4
134.03700	2.1
134.26369	1.4
135.04518	8.0
138.23659	1.6
143.03488	2.3
149.00955	6.6
149.02196	1.5
149.04527	6.3
157.28185	1.6
158.03717	2.5
159.02875	1.9
159.04463	2.4
161.02417	1.7
161.04579	9.8
165.12849	1.5
171.10265	9.5
172.05249	3.4
174.03181	1.7
179.03419	3.3
179.05603	2.7
183.13875	6.9
186.06879	2.1
187.03935	1.5
187.07585	5.0
191.05580	5.5
194.38431	1.6
200.04834	2.9
201.05513	6.2
201.09216	2.5
203.05469	2.5
209.11768	7.8
211.13261	3.4
213.09193	2.8
214.06265	1.4
215.07039	4.2
225.14828	1.9
227.12926	9.1
229.08690	4.6
230.09364	3.0
231.10234	2.1
243.90363	1.4
283.13318	2.1
301.14426	1.6
316.09610	2.3
327.15976	1.7
329.14017	2.7
343.15411	3.7
344.16330	8.8
359.13666	2.1
373.78720	1.9
381.22885	5.4
388.15076	1.9
399.23749	7.7
441.23834	7.0
485.21790	4.0
531.28052	34.3
532.28064	5.0
560.63336	1.4
563.79419	1.8
573.29120	68.0
574.29413	10.4
617.30988	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	617.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97256	1.1
55.01876	1.2
57.03445	2.1
58.00597	1.5
59.01380	100.0
61.98827	4.0
67.48284	1.0
69.03455	2.4
71.01384	41.7
72.99313	3.3
73.02949	49.3
75.00878	1.3
78.95942	1.3
82.49611	1.3
83.01389	13.6
85.02971	6.0
85.05775	1.1
87.00878	6.6
89.02447	12.9
96.96000	2.0
96.97009	1.5
99.00880	4.2
99.04534	1.4
101.02444	53.1
109.02931	1.6
113.02448	17.1
115.00375	3.6
119.03498	9.8
121.02975	1.8
122.03776	2.4
125.02420	3.6
131.03488	5.1
133.02930	1.3
134.03755	1.8
135.03596	2.1
135.04535	26.1
137.02409	1.6
143.03499	7.8
148.99779	1.2
149.00905	4.3
149.02437	3.2
149.04572	12.7
150.03242	8.9
155.03441	1.7
161.02460	1.9
161.04543	18.6
163.04065	1.2
165.01947	1.5
165.05583	6.7
175.02498	4.4
175.03928	1.3
177.01859	1.4
179.03464	6.0
179.05693	5.6
179.06981	1.9
195.06589	5.2
203.05620	2.1
221.06670	10.4
231.13817	1.4
233.15538	9.0
255.13892	14.0
300.01224	1.3
333.17001	4.0
351.18073	4.6
355.11707	1.7
391.13855	3.6
395.20618	1.5
403.13861	4.1
413.21512	1.4
429.13879	7.3
455.22720	5.1
470.96390	1.2
471.14944	3.6
471.22314	4.8
473.16611	1.3
477.21457	3.3
483.22159	3.6
491.17276	2.9
495.22226	2.6
510.23090	1.2
513.23309	4.9
555.24451	6.2
573.17773	1.7
573.25928	9.3
574.25806	2.4
598.28033	1.3
617.22241	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	617.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.9
59.01381	6.2
61.98841	1.1
64.45766	0.8
68.99810	1.3
71.01395	4.3
71.62307	1.2
73.02940	2.7
75.00842	0.9
84.99310	4.7
85.02958	3.2
87.00878	1.8
88.98815	2.3
89.02447	1.6
99.00888	2.7
101.02446	2.2
103.00336	0.9
109.02965	1.1
112.98813	46.6
113.02439	3.6
119.05044	5.2
121.02944	3.6
124.01665	1.5
125.02442	1.0
127.96362	0.9
133.02940	2.6
134.03775	5.9
135.04523	3.4
136.01662	1.4
137.02475	1.4
138.03175	1.3
139.03989	1.3
143.03459	0.9
147.04492	2.4
148.05296	4.4
149.02475	2.1
150.03229	18.8
151.03940	1.7
160.05231	1.2
161.02425	0.8
162.03282	0.9
163.04021	5.3
165.05569	11.6
165.06879	1.4
165.12798	5.7
171.10251	3.1
173.06009	1.2
175.07600	1.6
177.01894	1.4
177.09213	14.0
178.02652	2.5
178.09515	1.2
183.13901	19.5
184.14314	1.4
187.07660	2.0
188.08365	1.7
189.09193	10.5
197.15434	0.9
201.09213	0.8
203.10782	44.3
204.11115	3.6
209.11903	1.8
215.10638	1.3
227.12860	24.5
227.15077	1.2
228.13167	1.6
271.06119	2.0
275.09143	1.0
286.08453	1.8
297.07745	1.3
325.10849	1.4
340.13147	4.5
355.15494	100.0
356.15784	9.0
380.37875	1.0
485.32233	2.0
517.20789	32.0
518.20941	3.6
593.20807	1.0
617.22711	1.7
617.40460	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	617.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	46.8
59.38398	3.2
61.98824	10.7
71.01384	27.3
72.99307	10.2
73.02942	8.7
75.00881	3.6
83.01392	6.9
83.05034	5.7
84.99332	6.1
85.02965	7.6
87.00873	16.4
89.02440	9.3
97.06590	4.6
98.25219	4.1
99.00883	8.4
101.02437	11.9
101.07903	3.2
103.00356	4.1
108.02159	5.7
112.98811	79.3
113.02470	9.7
119.05001	5.0
121.02924	13.7
124.01697	3.7
125.02474	4.0
125.06074	3.6
134.03716	4.7
135.04492	21.6
137.02435	4.7
139.52426	3.8
147.04565	4.9
148.01689	7.3
149.00943	18.1
150.03140	5.4
155.08304	6.6
159.04478	6.4
161.02405	11.7
161.04649	5.1
165.12752	6.9
171.10278	100.0
172.05263	8.4
173.06024	7.1
174.03185	5.3
175.04028	7.9
176.01151	29.4
177.02003	4.8
177.09201	62.1
179.03458	12.3
179.05568	3.8
183.13925	16.4
186.06802	5.2
187.03996	9.1
187.07658	20.3
191.03523	42.2
197.06201	5.1
199.07684	4.8
200.04770	9.0
201.05544	46.6
201.09265	5.7
201.11241	4.6
202.06024	14.9
209.11827	75.6
210.12207	4.4
211.13382	9.7
213.05592	4.4
214.06203	4.4
215.07153	19.5
226.11711	4.2
227.07146	4.6
227.12830	27.2
229.08682	20.7
230.09392	12.4
231.10207	6.7
253.09073	7.0
275.09283	5.6
279.42990	4.2
283.13486	5.4
285.04007	10.5
286.04858	7.1
300.06482	4.8
301.07376	4.7
301.14517	4.6
315.08530	5.5
316.09406	14.9
317.10504	5.2
317.13922	7.1
325.14450	6.4
326.14920	4.1
329.13870	14.8
343.15424	14.2
344.16367	29.2
345.16824	4.8
353.10074	4.8
354.10995	25.4
369.13428	76.7
370.13876	7.8
389.08585	15.7
423.21683	5.2
441.22763	24.7
442.22794	4.9
485.21832	17.7
520.15692	12.4
573.19800	28.2
573.28955	9.6
595.60834	4.6
617.31543	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	617.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.1
58.52612	2.3
59.01379	33.9
60.16164	2.5
61.98816	4.7
71.01380	15.6
72.99305	5.6
73.02932	6.8
81.03491	2.6
84.99319	4.2
85.02940	5.3
87.00891	13.0
89.02427	6.5
95.01369	2.4
97.02975	3.1
99.00899	4.5
99.04513	2.2
101.02441	12.9
108.02184	2.6
109.02955	4.5
112.50355	2.4
112.98812	61.0
113.02421	6.1
119.03433	2.7
119.05046	2.8
121.02937	8.7
123.00866	4.5
124.01653	6.1
125.02403	5.8
130.99814	2.6
133.02977	3.8
134.03735	2.9
135.04576	11.7
137.02420	4.3
146.03857	2.5
148.01636	4.8
148.27493	2.4
149.00911	15.0
149.02010	1.9
150.03224	6.2
153.68689	1.9
159.04500	8.6
161.02423	3.9
161.04657	3.0
161.05925	3.2
163.03995	4.2
165.12952	2.1
171.10272	76.8
172.05287	7.6
173.06038	8.1
175.07407	2.9
176.01117	18.4
177.01804	3.0
177.09215	61.3
178.09479	2.4
179.03470	7.2
183.04352	2.3
183.13884	10.6
187.07651	10.7
191.03511	31.0
199.07678	4.6
200.04759	5.0
201.05568	31.6
201.09320	4.7
202.06038	9.5
209.11838	58.0
210.12111	4.9
211.13358	7.8
213.05556	4.8
215.07060	9.9
227.07095	4.1
227.12889	19.4
229.08667	18.7
230.09380	4.8
231.10265	5.4
245.08167	4.0
253.09225	8.0
267.06201	2.6
273.07510	2.4
275.09247	5.6
283.13486	5.4
285.03958	10.3
286.04733	3.6
299.05658	4.2
300.06464	4.5
301.07281	2.8
301.14447	5.7
315.08649	4.7
316.09415	8.4
317.10092	3.4
325.14374	2.9
329.13968	8.5
343.15390	8.2
344.16205	14.5
353.10101	3.2
354.11063	38.2
355.11230	3.2
369.13419	100.0
370.13608	8.1
389.08704	9.5
423.21936	3.1
441.22916	18.6
485.21658	10.3
520.15747	6.7
573.19659	30.5
573.28577	7.9
574.20032	5.2
617.30811	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	615.4055
Annotation	Fucoxanthinol
Peak:m/z	Relative Intensity
56.93082	1.9
57.03447	32.0
59.01377	9.4
60.22129	2.1
61.98830	10.0
70.80888	3.4
70.81236	3.8
71.01376	4.2
79.05525	2.0
83.05023	12.0
89.02435	2.9
95.05022	2.5
97.06590	2.3
107.05032	5.7
109.06606	2.3
121.06562	3.6
123.08179	3.5
135.08141	2.6
137.09700	4.6
147.08112	2.3
149.09717	5.9
156.60078	2.2
161.09798	2.2
163.11198	2.3
171.10251	3.2
172.71921	2.1
175.11229	2.9
179.10757	2.7
187.11249	3.7
189.12778	2.5
205.12306	3.2
207.13843	3.7
215.14320	5.2
255.23303	7.6
323.09814	5.3
341.10693	5.0
415.99557	2.1
435.29266	5.0
535.75281	2.2
539.35297	8.8
555.38580	2.2
557.36365	20.5
579.39343	11.2
597.39264	27.3
598.40118	4.0
615.20074	4.0
615.40515	100.0
616.20502	2.4
616.40656	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	616.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47983	0.4
61.98832	100.0
62.37762	0.5
69.55846	3.0
78.95911	4.6
96.96978	0.5
105.98943	0.5
105.99646	0.5
124.98261	0.5
152.99588	1.9
179.10837	0.7
197.11870	1.5
255.23318	4.3
279.23312	0.5
364.54120	0.6
381.13577	0.8
385.42706	0.5
553.37531	5.8
553.45215	0.7
554.37659	0.8
617.34973	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48979	0.6
55.01883	0.9
55.70803	0.8
55.79340	0.7
57.03469	1.5
58.00599	1.1
59.01382	100.0
60.01712	0.8
61.98840	2.6
67.01897	2.2
68.99826	5.2
71.01385	12.4
71.61350	0.7
71.61733	0.7
72.99311	5.1
73.02946	4.1
75.00864	1.2
81.03433	1.2
83.01398	2.7
85.02950	5.7
87.00881	14.4
89.02455	2.3
92.99854	0.7
96.96025	1.6
96.99326	1.6
97.02961	0.7
98.09361	0.8
99.00866	6.0
101.02455	8.2
103.00374	13.0
109.02995	2.1
111.00880	5.1
112.98801	9.3
113.02462	4.9
116.03432	0.6
119.05060	1.4
121.02885	0.6
122.06130	0.8
123.04555	1.0
123.28685	0.7
124.03950	0.6
125.02440	1.0
127.00372	12.5
128.07224	3.9
130.99852	11.8
131.01955	0.7
133.02989	0.7
134.03816	0.9
135.04509	4.0
137.02441	1.0
139.03992	1.5
142.99858	2.7
143.03528	1.2
147.04521	10.0
147.05614	0.9
148.05022	0.8
149.00919	16.5
149.02620	0.7
150.03253	1.2
151.03993	0.8
154.99933	1.1
159.03107	0.8
159.04544	1.1
161.02490	1.2
161.04570	4.2
161.05984	0.8
163.04010	1.2
165.05597	0.9
165.12831	0.9
171.10268	17.7
179.03552	1.5
182.12595	0.7
198.98860	3.8
199.13466	0.7
201.05563	1.1
209.11826	16.0
225.09100	1.2
227.12939	2.5
235.08470	1.0
253.09265	1.9
255.02989	1.7
257.12918	1.2
265.80438	0.8
267.06543	1.3
269.10291	6.8
269.12631	0.8
271.02487	2.0
279.05081	8.5
282.09122	2.0
286.12888	1.4
300.02859	1.9
301.03534	1.6
311.11200	3.6
351.20316	0.8
369.22818	1.0
379.10318	1.3
395.10040	2.8
397.20389	1.0
423.21899	1.4
441.22803	11.3
442.23288	1.3
467.21173	1.1
469.09995	2.6
484.34225	0.9
485.22012	1.0
573.29272	3.6
599.24500	1.0
616.33728	2.4
617.18555	2.0
617.34058	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	615.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70571	1.4
59.01379	31.5
61.98832	18.5
67.24113	1.2
69.03484	1.9
71.01384	24.1
71.20896	1.3
71.62043	1.8
72.99306	2.6
73.02944	14.0
75.00861	1.4
83.01417	6.6
83.49632	1.2
85.02953	6.0
87.00873	9.4
89.02440	5.9
96.96014	7.1
97.02953	1.4
99.00879	5.5
100.01671	3.0
101.02455	13.1
103.00417	1.9
109.02969	3.2
111.00892	11.2
111.01604	1.6
112.98798	4.4
113.02444	4.6
113.99594	36.1
115.00386	17.9
118.91171	1.6
119.03519	2.2
119.04987	1.7
121.02932	2.1
122.06116	1.7
123.04512	3.6
125.02454	3.2
125.99599	1.2
128.01184	4.0
131.03448	2.6
134.03699	1.4
135.04518	12.0
136.07657	2.5
138.05605	2.4
139.00381	3.3
143.03462	2.9
149.00896	7.5
149.02435	1.9
149.04622	2.5
149.06004	1.6
152.01164	2.9
156.00650	48.0
157.01175	2.3
160.04024	4.2
161.02441	2.1
161.04555	2.3
163.03937	2.2
165.01894	1.5
165.05493	1.3
166.42247	1.2
167.03453	2.5
174.01695	100.0
175.02370	4.1
175.03964	2.4
178.02594	2.1
179.03477	8.0
193.05089	1.8
205.07481	1.5
219.02898	1.6
231.13910	2.5
285.04138	2.4
287.16547	5.0
293.02991	2.7
303.13135	1.5
327.13428	2.7
328.13876	1.8
453.14923	2.4
509.24030	2.1
511.21732	11.2
512.21899	1.7
615.22174	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	613.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54786	2.2
59.01379	100.0
61.98819	6.8
70.84539	2.6
70.84863	3.8
71.01379	8.2
89.02469	10.9
97.02970	4.9
101.02425	5.8
113.02448	7.1
119.03525	5.1
119.71136	2.1
138.30710	2.6
153.51878	2.1
161.04512	2.3
179.05614	2.3
191.96117	2.1
227.13011	3.0
247.20573	4.8
253.67357	2.2
291.17130	2.5
291.19730	32.1
292.19910	3.6
309.20709	91.0
310.21088	5.6
313.41049	2.2
333.20496	4.4
336.88058	2.2
396.30020	2.4
610.07397	2.7
619.60596	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	613.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.1
59.01367	1.9
61.98837	2.3
69.76141	3.2
69.76558	1.9
69.88393	0.8
79.37399	0.7
95.05015	5.4
98.20548	1.1
113.09734	2.5
125.09664	1.1
167.95984	0.8
169.67645	0.9
195.13902	15.7
249.10939	1.4
277.18842	1.0
277.21738	13.9
278.11334	5.7
278.22046	1.2
281.13687	1.1
295.22781	100.0
296.23135	8.6
315.19406	1.7
317.20975	45.4
318.21393	2.7
323.02737	0.8
361.19876	7.8
608.50128	0.8
613.44476	19.2
614.44830	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	614.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20360	0.2
56.82840	0.3
57.03474	0.2
59.01382	2.2
61.98832	100.0
64.90314	0.2
71.01395	0.7
71.62195	0.4
72.99313	0.4
73.02950	0.3
87.00883	0.7
88.98837	0.4
93.03414	0.3
96.96064	0.4
99.00864	0.3
101.02476	0.4
103.00382	0.3
108.02190	0.4
109.02974	0.3
112.98857	0.5
113.02442	0.3
113.99681	0.3
119.05029	0.5
121.02982	0.3
133.03017	0.4
134.03767	0.4
135.04564	1.2
136.01663	0.4
137.02480	0.6
145.02951	0.3
149.00916	0.9
150.03233	0.4
152.01173	0.8
154.13756	0.2
161.02431	0.4
163.04013	0.5
165.01984	0.8
167.03552	0.4
178.02667	0.4
179.03503	0.9
179.05464	0.2
180.04062	0.4
183.14015	0.3
193.05107	0.3
195.06638	0.7
198.56799	0.2
203.03629	0.3
209.04457	0.3
211.13358	0.3
219.03101	0.4
225.07770	0.5
227.12953	0.7
289.59000	0.2
293.02951	0.3
389.18143	0.3
420.21216	0.4
464.20615	0.4
482.21259	0.5
614.22095	0.8
615.22455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	26.6
61.98828	5.1
71.01388	7.4
78.95911	4.4
79.95735	77.8
80.96529	17.0
82.89153	2.1
85.02968	4.1
87.00910	3.8
88.98817	5.4
96.95997	2.7
101.02435	4.4
112.98791	5.1
119.05040	3.1
149.02390	2.0
150.03212	30.4
151.03812	2.5
152.99582	2.5
163.04066	3.5
164.04768	4.7
165.05573	26.4
171.10248	5.1
189.05640	4.1
191.07156	2.1
193.08710	6.9
199.09784	2.0
201.09300	2.0
203.07153	2.8
204.07854	2.7
205.08673	23.1
206.09384	2.3
207.10266	2.7
219.10254	41.6
258.01709	2.7
302.00317	2.1
302.07944	2.6
354.10992	4.7
364.88205	2.0
369.13480	3.7
370.13803	2.4
371.14960	32.6
451.10638	77.1
452.11047	6.8
521.27814	3.2
550.62451	1.9
569.23755	2.4
612.28577	2.7
613.15973	100.0
613.27545	8.1
613.77582	2.9
614.16473	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	612.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96437	0.6
58.02985	5.9
59.01378	5.0
61.98822	1.7
63.60530	0.6
65.47442	0.5
70.13947	0.5
71.01376	1.4
71.22259	0.9
71.22614	0.8
72.99280	0.6
74.02479	11.7
82.02990	1.9
82.14311	0.6
86.02488	3.8
86.99149	0.8
87.00879	2.0
87.05645	3.4
88.04014	0.8
89.02430	0.9
90.00217	1.4
97.04086	2.2
99.05639	11.8
101.02464	0.8
101.07191	1.6
102.05602	1.7
103.00266	0.6
107.06155	1.1
109.04070	1.2
111.05727	0.7
112.04069	1.2
112.98814	2.1
113.02430	0.9
113.03594	0.9
116.01758	0.7
119.05142	0.7
120.01185	0.7
123.05622	0.8
125.03564	1.3
127.05174	2.1
128.03548	30.7
131.04684	0.8
135.04594	1.2
135.05635	2.8
137.07208	0.9
141.06702	2.3
143.04628	43.8
145.06187	1.8
146.04593	4.5
149.00883	0.6
153.06735	3.4
153.07811	0.6
155.08148	0.8
160.00751	11.7
161.02386	0.6
166.09923	1.4
167.04648	2.8
167.08247	1.4
170.03316	1.0
171.04184	0.7
177.03387	4.0
179.04678	8.4
181.06186	0.8
185.05690	1.9
192.07910	0.7
197.05670	1.4
199.45277	0.6
210.08817	9.5
228.09933	0.7
242.07816	1.0
254.07806	12.4
272.08881	20.9
273.09222	1.0
285.03915	0.7
288.06589	7.5
299.94757	0.6
306.07648	100.0
307.07990	4.2
458.82159	0.7
481.31967	1.2
613.32184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00877	0.5
59.01382	7.4
61.98836	3.7
69.03462	0.9
70.19514	1.9
71.01391	7.8
72.99322	1.3
73.02946	2.8
78.95906	0.8
78.98596	4.0
79.95737	8.3
80.96522	53.3
81.03458	0.6
85.02953	2.7
87.00881	3.4
89.02481	1.5
94.98096	12.2
95.01427	0.7
96.96019	1.3
97.02966	1.7
98.19870	0.7
99.00903	0.9
101.02460	3.4
106.98074	2.3
109.02966	1.3
112.98819	1.2
113.02401	1.6
121.02908	1.1
122.97597	4.1
125.02474	3.5
134.97607	3.5
135.04543	1.3
136.99141	1.9
148.99170	4.6
149.79102	0.7
152.98622	5.8
152.99652	0.9
164.98636	8.5
179.03444	0.8
182.99687	1.8
185.11697	0.7
203.03510	0.7
206.99808	3.4
209.11816	0.7
224.98604	1.2
225.00783	18.0
243.01785	1.0
299.04486	2.6
302.24615	0.6
304.42148	0.8
366.62598	0.6
367.10205	0.9
479.30020	0.9
488.15213	0.6
611.27460	100.0
612.27686	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	611.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02963	0.5
50.08178	0.4
57.03450	1.0
59.01379	4.1
61.98816	1.5
62.86955	0.5
71.01398	1.1
78.95909	53.6
80.91688	0.9
80.96552	0.5
86.19505	0.5
87.00866	0.6
93.03516	0.5
96.96967	8.8
101.02461	0.6
113.09724	1.9
121.02923	0.9
125.02464	0.5
134.06154	2.6
135.04546	0.7
150.97992	0.8
152.99599	63.8
153.99942	0.7
171.00623	1.9
177.12943	0.5
181.12325	0.7
195.13908	16.6
196.14304	1.0
205.70229	0.5
213.10519	0.5
223.00146	6.3
229.63698	0.7
241.01198	21.3
242.01683	0.6
259.02271	1.5
277.21722	14.4
278.22061	1.1
285.12375	0.7
295.22800	57.0
296.23175	4.7
315.04898	9.4
328.74808	0.5
333.06027	2.2
375.38461	0.5
479.30176	0.9
545.11420	0.5
548.71637	0.5
573.87823	0.6
600.13397	0.5
611.28418	100.0
612.28784	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	610.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.9
59.01093	6.1
59.01380	100.0
60.42022	2.9
61.98833	95.4
70.40202	4.3
71.01379	39.0
71.62837	4.3
72.99286	8.1
73.02947	18.8
75.00864	4.8
79.95753	9.5
80.96500	18.8
83.01389	8.1
85.02960	14.8
87.00875	15.3
87.58022	4.0
88.98804	4.6
89.02444	40.8
90.51247	3.1
95.01387	3.7
99.00886	38.7
101.02428	21.6
102.33668	3.7
103.00391	4.4
107.91589	3.5
108.02197	5.2
110.96793	3.0
112.98820	19.1
113.02463	15.9
119.03474	5.7
119.05001	4.9
121.02997	17.5
125.02441	4.4
131.03499	13.2
134.03700	4.1
134.06108	3.9
135.04482	11.2
137.02467	4.3
143.03494	7.9
149.00980	3.6
149.04572	40.5
149.09807	4.5
150.06812	4.3
155.03511	3.4
159.04527	3.9
160.01680	3.3
161.02454	5.3
161.04463	4.1
163.04033	7.3
167.10793	14.0
175.03925	5.9
177.05540	4.4
179.03578	7.4
191.03838	4.5
191.05594	14.3
193.04984	4.3
194.05573	4.1
203.03592	4.7
203.05600	12.5
209.11748	3.4
225.00887	5.0
227.13046	4.2
233.06583	14.6
256.03403	3.2
271.02487	8.6
272.02838	5.2
272.13281	3.2
300.02701	12.1
301.03049	16.3
302.03931	5.7
335.09802	10.2
353.10742	5.7
367.10699	3.7
373.26013	7.7
374.26337	6.4
405.15460	3.4
407.24460	5.1
478.29825	3.8
479.30002	5.2
489.34363	9.0
490.34744	7.6
609.35950	5.5
610.14844	26.0
610.26117	35.5
611.30182	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	611.2513
Annotation	Karajinone B
Peak:m/z	Relative Intensity
59.01371	12.2
61.98830	8.9
68.25008	3.5
71.62138	4.7
91.51777	3.3
97.59040	3.9
117.24125	3.6
121.05244	4.1
122.06129	13.6
134.06146	5.6
160.06432	6.0
165.67978	4.0
172.15262	4.0
206.77798	3.7
213.10295	29.1
215.11876	17.2
225.10451	4.0
239.11868	23.8
241.13446	15.6
283.10950	4.0
285.12439	100.0
286.12750	5.2
325.11780	6.7
449.15924	9.2
463.17819	7.4
465.18890	5.1
478.19730	5.1
478.53830	3.7
479.20944	10.5
491.24646	4.8
493.22421	25.4
494.22833	5.8
508.24399	4.3
535.23535	69.0
536.23737	5.5
538.22186	14.1
579.22498	25.1
611.25153	16.4
612.27142	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	611.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03454	1.7
59.01381	17.0
61.98551	1.2
61.98827	10.9
63.99242	1.1
71.01383	16.5
72.99291	2.0
73.02953	6.1
78.95926	0.9
78.98595	2.0
79.95731	4.7
80.96517	32.4
83.01378	2.5
85.02952	7.5
87.00877	6.5
87.04142	0.8
89.02450	2.2
94.98091	10.1
95.59438	0.9
96.71570	0.8
96.95998	1.2
97.02943	1.6
99.00880	3.0
101.02448	8.6
103.00332	1.3
106.98098	2.0
109.02995	1.1
111.08147	1.6
112.98776	3.5
113.02441	6.3
122.97574	2.5
125.02429	1.5
127.37760	0.9
133.02982	1.4
134.03778	1.2
134.97557	2.8
135.02946	0.9
135.04509	2.5
143.03506	1.1
148.99126	3.5
149.00948	1.4
150.03151	0.8
152.98621	3.2
159.02930	1.1
161.02371	1.6
161.04517	6.9
163.03966	1.5
164.98628	7.3
165.12849	16.6
167.07138	2.9
179.03500	2.4
182.99716	1.8
183.13890	60.5
184.14232	2.5
186.28938	0.8
200.66959	0.9
206.99620	2.1
207.66573	0.8
209.11729	1.6
225.00749	10.9
227.12871	36.6
228.13153	2.6
243.01752	1.4
245.28134	0.8
252.33632	0.9
269.10239	7.2
289.39511	1.0
299.04343	1.7
302.03336	1.1
311.22052	1.8
401.14496	41.9
402.14624	4.5
479.30292	16.4
480.30728	1.3
611.27246	100.0
612.27484	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	609.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31763	0.5
59.01376	1.1
61.98852	0.6
69.60883	4.5
72.14564	0.6
95.05031	29.9
151.00375	1.3
167.10812	0.7
179.14351	1.3
189.05313	1.2
195.13895	9.7
196.14572	1.0
203.51476	0.6
205.12482	1.6
211.13501	1.1
211.17451	0.6
223.13394	6.8
246.12329	11.5
247.12924	0.7
255.02971	1.1
256.13242	1.5
266.79691	0.6
271.02551	3.7
272.16699	0.6
275.20111	4.6
278.11365	70.1
279.11725	3.6
293.21240	100.0
294.21561	7.2
300.02786	4.6
301.03433	2.0
315.19400	28.3
316.19788	2.0
572.32220	0.7
609.14935	5.0
609.41321	10.4
610.14691	1.2
610.41534	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	609.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76585	9.2
61.98832	8.5
69.60883	64.2
75.28658	7.2
78.95916	22.1
115.92072	11.0
116.92902	14.1
122.37170	10.0
189.53297	8.1
203.58977	9.1
271.02924	7.6
279.23276	100.0
489.25134	9.1
507.37576	8.8
546.22900	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	610.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
59.01382	6.7
61.98830	7.4
63.86693	0.8
71.01376	5.9
72.99296	2.7
73.02935	1.6
81.03484	1.2
83.01385	1.2
85.02950	4.4
87.00880	1.8
88.98797	2.8
89.00552	0.9
89.02464	3.0
93.03474	1.7
95.01417	1.3
97.02924	1.0
101.02438	3.4
103.04290	1.1
104.05063	23.0
108.02176	44.1
109.02971	12.2
113.02435	1.9
119.03551	1.4
119.04974	1.1
120.01223	1.1
120.04551	7.7
121.02915	1.3
122.06077	1.0
123.00851	1.5
123.04440	1.5
129.25719	1.0
135.04520	2.3
137.02434	1.7
148.04048	70.2
149.00874	2.3
149.04384	2.1
151.00354	1.8
151.03969	1.7
152.01149	100.0
153.01857	5.3
154.06148	1.2
163.03986	3.0
166.05092	85.9
167.03395	1.4
167.05435	2.0
175.03955	1.2
177.01857	1.4
179.03513	1.4
179.05600	1.2
181.59695	1.0
192.03015	11.0
210.04054	26.3
211.04292	1.4
236.27361	0.9
271.26718	1.0
286.04034	1.2
346.10208	1.0
399.09311	96.8
400.09552	7.7
408.04016	1.0
417.10101	2.7
592.13086	23.7
593.13452	2.0
610.14050	65.2
611.14380	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	609.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47832	1.8
52.72906	1.8
54.11361	1.7
57.03450	3.2
59.01384	100.0
60.01720	2.7
61.98835	14.6
69.56818	4.3
69.57227	9.8
71.01385	25.4
72.99305	6.0
73.02943	7.3
75.00883	2.4
81.03473	2.1
83.01427	3.8
85.02953	11.6
87.00875	14.0
88.98808	8.1
89.02443	9.4
92.28484	2.2
95.01369	3.3
95.37158	2.1
96.11861	2.3
99.00851	4.3
100.67205	2.1
101.02458	15.0
107.05017	7.6
108.02171	2.0
109.02936	3.8
112.98801	5.0
113.02460	13.6
117.03458	9.4
119.05038	2.8
121.02927	3.8
123.04527	7.9
125.02496	3.0
131.05014	3.3
133.03009	2.8
133.06589	6.8
134.03716	4.4
135.04549	26.8
137.02432	3.1
145.03001	1.9
149.00945	13.9
149.06093	23.2
150.03183	8.1
151.00339	6.0
151.03986	6.2
159.03355	2.2
159.04510	13.6
161.02419	4.7
161.04532	5.0
163.03998	10.2
165.05544	8.3
175.03999	4.1
177.05565	28.8
178.05759	3.2
178.99887	2.5
179.03493	12.1
180.03963	1.9
183.13904	4.9
203.01811	2.5
203.03525	28.5
204.03856	2.3
206.17577	1.9
211.13377	7.3
221.04567	15.1
229.18021	3.3
243.02937	6.0
253.10805	3.2
255.03085	11.2
271.02481	27.5
287.09192	5.0
300.02734	40.4
301.03452	15.4
329.10318	29.4
361.29489	7.1
387.14508	8.7
387.20154	8.6
397.13263	3.3
405.15552	32.3
406.15765	5.4
477.20175	9.9
477.26047	2.2
505.33856	47.1
506.33685	4.5
523.27655	3.7
523.34778	13.1
533.16388	3.5
534.18451	3.5
549.28601	3.3
565.29401	2.3
566.20972	3.3
609.14215	35.4
609.34949	2.5
610.14948	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	609.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77749	2.0
55.01875	2.4
55.04999	1.8
57.03435	3.2
58.00587	4.4
59.01382	100.0
60.17549	2.0
61.98836	9.8
70.05179	8.0
71.01391	54.3
72.99312	7.0
73.02946	6.8
79.36671	2.0
82.74187	2.1
84.04581	2.2
85.02957	11.8
86.05358	1.7
87.00869	11.3
89.02448	53.8
93.03463	2.4
95.01380	3.8
96.96002	2.0
99.00864	2.9
101.02447	37.6
102.05587	3.0
103.00386	1.9
108.02159	2.4
109.02945	2.8
109.04082	3.0
112.98775	2.3
113.02451	28.9
119.03490	27.5
119.04938	2.9
127.05116	3.3
128.03528	6.0
131.03514	4.0
135.04482	5.5
143.03502	6.8
145.05133	3.0
145.06186	26.2
146.04565	11.6
148.04080	2.5
149.00938	15.3
151.00311	4.4
152.01143	5.7
161.04561	10.8
179.03429	3.0
179.03937	2.5
179.05600	24.5
180.03938	2.0
255.02968	6.8
271.02475	12.7
284.03259	2.9
285.03931	5.7
292.55997	2.2
292.59351	2.0
300.02710	20.3
301.03467	10.8
301.10861	3.1
345.09689	4.0
387.20105	4.7
399.09457	2.4
433.11438	3.4
447.09146	2.8
549.25525	89.6
550.25867	9.2
609.14349	26.5
610.14307	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	609.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
58.00582	0.4
59.01387	5.4
61.98843	6.1
63.96250	1.0
69.03459	0.7
70.35990	0.4
71.01390	8.3
71.31721	0.4
73.02955	2.2
78.98593	4.9
79.95746	10.0
80.96524	61.0
81.03460	0.7
83.01418	0.6
85.02958	3.0
86.74040	0.4
87.00889	3.4
93.97327	0.5
94.98092	13.0
96.96011	1.2
97.02956	1.4
99.00898	0.5
99.04447	0.4
101.02461	3.2
106.98091	2.4
107.01398	0.5
112.98829	1.6
113.02469	0.5
113.27364	0.4
119.05029	0.7
121.02950	0.4
122.97590	4.9
125.02478	2.9
127.04022	0.9
134.97617	4.7
135.04579	0.6
136.99142	1.3
148.99147	5.9
149.00862	0.5
152.98636	6.0
161.04570	0.4
163.04042	0.5
164.98645	10.7
182.99667	1.6
194.89198	0.4
197.11852	1.2
206.99741	2.1
225.00752	17.8
226.00981	0.6
234.40468	0.5
243.01811	1.7
255.02940	0.8
271.02475	1.9
299.04532	2.3
300.02811	3.5
301.03366	1.3
373.25903	0.5
417.89362	0.4
479.93588	0.4
489.33966	0.4
496.36649	0.4
609.25854	100.0
610.17389	0.4
610.26178	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	609.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
57.03436	1.4
58.00581	1.5
59.01381	93.1
61.98811	1.9
65.00325	1.6
71.01384	38.1
71.10754	2.4
72.99310	4.0
73.02944	3.7
75.53733	1.1
80.09682	1.2
83.01382	2.8
85.02942	7.7
87.00870	5.5
88.23942	1.1
89.02448	32.7
93.03477	1.5
95.01368	2.4
96.95984	1.5
99.00883	1.9
101.02451	22.0
104.74432	1.1
107.01411	3.0
108.02161	3.5
109.02908	2.1
113.02457	14.2
119.03513	16.4
119.04999	1.6
120.93233	1.4
121.02935	2.7
125.02511	1.2
128.03572	1.8
131.03566	2.2
135.04530	2.8
137.02434	1.4
143.03497	5.4
145.06137	5.9
146.04616	3.6
148.01634	1.9
148.04012	1.6
149.00914	5.6
149.04552	1.6
151.00397	12.1
151.03864	1.4
152.01180	2.4
153.01894	1.2
159.04541	1.2
161.04538	8.5
163.03987	1.4
178.99899	5.5
179.05623	13.2
215.03693	1.4
224.78760	1.1
226.02768	1.6
227.03513	3.2
243.02968	11.0
244.03506	2.1
254.02220	2.3
255.02983	31.0
256.03296	2.6
271.02490	58.0
272.02924	4.2
273.04132	1.5
283.28705	1.3
299.01929	2.2
300.02759	100.0
301.03491	36.5
301.10779	2.7
302.03772	2.6
343.04330	1.2
345.09705	2.5
387.20297	2.1
399.09274	1.8
476.03952	1.5
477.10159	1.5
549.25549	46.5
550.25659	3.5
609.14581	80.0
610.14923	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	609.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35616	0.7
57.03452	0.8
57.60697	0.8
59.01381	10.1
61.98812	3.8
63.96228	0.9
71.01385	7.3
71.61683	1.7
73.02950	2.3
78.91885	2.3
78.95898	7.3
78.98593	4.8
79.95741	9.5
80.96520	50.7
85.02940	3.2
87.00887	2.7
89.02439	1.3
92.21350	0.9
94.98096	11.7
96.96034	1.0
96.96944	1.5
97.02932	1.4
99.00889	1.1
101.02437	3.0
106.98080	2.6
108.34602	0.9
113.02432	0.9
113.09663	2.1
121.02989	1.9
122.97576	4.9
125.02418	3.4
125.09706	0.9
134.97549	3.3
135.04550	1.2
139.11264	1.2
148.99094	5.0
151.00397	2.2
152.98523	5.8
152.99683	7.9
164.98640	8.4
171.10223	0.9
182.99699	2.3
188.67393	1.0
206.99695	1.8
211.13399	1.7
223.00163	1.0
225.00717	15.7
227.03442	1.0
241.01149	3.1
243.02744	1.1
255.02995	5.7
271.02493	11.5
272.02844	1.2
293.21271	7.9
299.04480	2.4
300.02716	16.1
301.03543	5.8
315.04822	1.3
352.98047	1.1
360.23352	0.9
450.01050	1.0
523.18359	2.7
609.14636	15.7
609.25824	100.0
610.14984	2.8
610.26147	11.2
623.64465	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43090	0.5
59.01381	7.5
61.98832	18.6
63.96223	1.3
64.91747	0.5
64.98842	0.4
69.03455	0.6
69.34952	4.5
71.01392	8.1
73.02942	1.9
75.00890	0.5
78.95907	0.5
78.98595	5.6
79.95744	8.1
80.96519	59.1
81.03443	0.6
85.02952	3.7
87.00879	3.5
89.02433	1.1
94.98087	13.8
96.95993	1.0
96.97100	0.5
97.02951	1.8
99.00853	0.7
101.02451	3.7
106.98090	2.8
112.98798	1.7
113.02448	1.4
119.04993	0.7
121.02981	3.5
122.97591	4.7
125.02443	3.2
127.04011	0.6
134.97577	3.7
135.04485	1.1
136.99141	1.3
137.02452	0.5
140.31067	0.5
141.88214	0.5
143.03485	0.4
148.99118	5.0
152.98647	7.1
152.99832	0.7
161.02437	0.8
164.98639	9.5
168.90524	0.4
178.99893	0.5
182.99710	2.6
197.11827	1.0
206.99673	2.6
209.66678	0.5
211.13367	0.5
216.42468	0.5
224.98628	0.9
225.00757	15.9
243.01823	1.5
255.03030	1.7
271.02475	3.6
288.43768	0.4
299.04355	1.7
300.02747	5.0
301.03470	2.3
317.05402	0.6
489.34052	1.0
549.31445	0.5
609.15155	5.3
609.25806	100.0
610.15961	1.1
610.26099	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98848	2.0
57.03437	6.6
59.01105	3.0
59.01381	53.1
61.98835	18.0
69.27469	17.2
69.27884	7.1
71.01082	2.0
71.01388	19.7
71.31163	2.2
72.99304	5.6
73.02922	9.9
83.01387	6.3
85.02946	11.7
87.00874	8.5
88.98793	3.3
89.02422	6.2
93.03465	4.5
95.01347	4.6
99.04499	3.2
101.02428	10.0
103.00412	3.1
107.01346	3.2
108.02158	3.2
109.02948	6.3
112.98785	7.3
113.02420	9.7
119.04998	7.8
121.02941	7.5
122.03696	3.2
123.04474	8.0
125.02451	4.5
133.06520	3.5
134.03677	3.7
135.04561	18.6
137.02449	5.3
145.02914	3.2
147.04518	3.5
149.00887	6.4
149.02443	3.5
149.06070	6.2
150.03258	12.0
151.00348	15.4
151.04073	3.7
152.01112	3.1
152.23221	2.5
153.05447	2.4
157.48761	2.5
159.04535	4.6
161.02438	3.7
161.04543	5.7
163.03979	6.7
165.05537	9.6
175.03961	3.2
177.05511	7.7
178.99872	6.0
179.03481	9.5
182.02184	2.7
195.06590	2.8
197.04550	4.4
203.03481	14.9
221.04538	6.2
227.03615	2.9
243.02898	11.1
255.02966	26.4
256.03384	2.8
271.02466	55.7
272.02814	4.7
285.03766	4.1
299.01990	5.1
300.02759	100.0
300.05878	4.3
301.03360	39.7
301.06851	9.0
315.08301	4.5
337.09149	2.3
361.16550	14.5
361.25754	4.5
435.18747	3.5
447.25461	2.6
477.19611	4.4
505.20941	24.2
505.33487	9.0
506.20752	3.4
523.21814	7.9
609.14490	94.2
609.34058	3.1
610.14612	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Rutine
Peak:m/z	Relative Intensity
54.65285	0.5
59.75060	0.6
62.88468	0.6
65.00324	1.1
69.34097	5.8
83.01392	1.0
91.05566	0.6
92.05550	0.6
98.11973	0.7
107.01372	2.6
108.02161	1.5
109.02962	1.3
121.02943	1.9
127.62361	0.6
135.00865	0.8
151.00362	9.8
154.93225	0.6
163.00366	2.8
164.01100	1.0
178.99835	4.1
199.03992	1.0
226.02705	2.1
227.03476	2.8
243.02922	10.1
244.03493	0.8
245.04608	1.3
254.02240	2.3
255.02975	25.4
256.03326	1.0
271.02469	52.7
272.02847	3.7
273.04031	1.1
299.01993	1.2
300.02747	64.2
301.03488	28.0
302.03867	1.7
609.14600	100.0
610.14899	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
58.67483	0.2
59.01379	5.6
61.98826	1.7
63.02388	0.3
67.10557	0.3
71.01370	1.7
71.31570	0.3
71.31911	0.5
72.99348	0.6
73.02946	0.6
85.02977	1.0
87.00900	1.3
88.98834	0.8
89.02477	1.1
93.03470	0.3
96.96048	0.4
101.02495	0.9
107.05055	0.3
108.02222	0.9
109.02991	0.6
112.98861	0.9
113.02483	1.1
117.03482	1.0
119.05058	0.6
121.02944	0.6
123.04539	0.5
125.02474	0.3
133.02962	0.5
133.06612	0.5
135.04517	2.4
137.02499	0.3
145.03018	0.5
148.01677	0.7
149.00969	0.9
149.02470	0.3
149.04933	0.3
149.06070	2.3
150.03264	0.4
151.00417	1.8
152.01138	0.5
153.01964	0.5
154.82997	0.3
159.04501	1.4
161.02509	0.6
161.06058	0.4
163.00450	0.4
163.03987	0.5
163.07617	0.3
164.01126	0.6
165.05637	0.7
174.03217	0.3
175.04015	0.4
177.05550	1.6
178.99979	0.3
179.03532	1.5
190.02847	0.4
199.04028	0.4
201.02061	0.4
203.03505	3.4
205.05067	0.4
211.13387	0.6
221.04494	1.3
224.59883	0.3
226.02693	0.7
227.03534	1.1
243.02945	5.2
244.03595	0.6
253.10974	0.5
254.02261	1.7
255.02974	17.2
256.03262	0.8
271.02460	34.6
272.03009	3.0
299.01807	1.4
300.02740	86.4
301.03229	7.2
301.07126	1.7
315.05087	100.0
316.05365	6.1
357.79657	0.3
359.09512	0.3
405.15546	3.4
504.32523	0.6
505.33356	0.7
523.34094	0.3
582.95459	0.3
586.06970	0.3
609.14325	8.3
609.22919	0.6
609.34729	0.5
610.15137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46922	0.9
61.98832	100.0
70.81269	2.1
124.88223	0.8
131.47632	1.0
271.02612	1.1
300.02676	2.0
309.20074	0.9
406.34296	0.9
608.31830	1.6
609.14423	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1265
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
54.16719	0.8
57.03451	2.3
59.01382	38.5
60.01697	1.4
61.98832	8.4
65.00014	1.1
65.00335	1.2
71.01385	16.9
71.39751	1.3
72.99315	2.2
73.02939	3.5
83.01392	4.7
85.02956	7.6
87.00909	5.6
88.98806	1.8
89.02446	6.9
93.03456	1.3
95.01391	1.3
97.02966	1.0
99.00871	3.1
101.02451	12.2
102.02729	0.9
102.30126	0.9
107.01370	3.4
108.02182	2.4
109.02941	2.9
112.98795	4.3
113.02439	6.5
116.92854	1.1
117.03456	1.1
119.03548	2.0
119.04996	3.0
121.02937	2.6
125.02414	3.1
135.00871	1.4
135.04529	5.5
137.65987	1.1
143.03488	1.4
145.02940	3.6
148.01689	1.4
149.00868	2.2
151.00374	12.0
158.90732	1.0
159.03061	1.0
159.04488	1.8
161.04518	3.9
161.05798	1.1
163.00330	3.0
163.03970	2.2
167.03429	1.1
177.05534	1.2
178.99872	7.7
179.03477	3.9
193.05055	1.0
199.04066	1.3
202.02763	1.0
203.03482	2.5
211.03979	1.4
211.13373	12.9
219.03012	1.1
226.02719	1.4
227.03464	2.9
235.08246	1.1
243.02927	9.9
254.02179	2.0
255.02986	26.9
256.03387	2.1
271.02463	55.9
272.02835	5.1
273.03912	1.2
283.02112	1.2
299.01831	1.7
300.02753	100.0
301.03503	49.3
302.03879	3.0
333.37256	0.9
360.28445	1.1
361.29498	1.7
397.13559	7.2
415.14435	3.1
463.08844	57.4
464.09109	4.1
477.28421	1.4
504.32477	6.3
505.33630	18.2
522.33496	2.9
523.34833	6.4
565.36145	1.7
609.12750	63.2
609.28400	7.5
609.79895	3.1
610.13013	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	607.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12078	0.8
55.01888	1.7
57.03451	1.2
59.01380	100.0
61.98830	21.7
69.03458	1.7
70.06984	1.8
70.07394	3.1
71.01389	12.1
72.99300	1.7
73.02942	4.6
75.00882	2.3
79.11250	0.9
83.01392	3.1
83.70872	0.9
85.02952	7.1
87.00880	2.8
89.02460	4.0
95.01366	2.1
99.00880	2.4
101.02441	9.6
103.00410	1.2
112.98809	6.2
113.02453	9.2
119.03480	1.0
119.05034	2.9
121.02970	3.7
125.02449	2.3
133.02988	1.0
135.04492	2.6
137.02477	1.2
143.03539	1.3
149.00958	1.9
161.04576	3.7
163.04004	6.4
178.06363	4.2
193.08682	6.5
201.05608	2.0
203.03571	1.2
208.77036	1.0
225.10123	0.9
275.66022	1.0
299.01996	1.7
318.89853	1.0
343.28513	2.8
359.28131	6.7
403.16913	2.4
410.05759	1.0
439.30573	1.3
487.32791	47.6
488.33282	6.6
505.33887	10.7
538.11169	1.0
547.35144	1.3
563.34192	1.5
607.34448	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.55468	0.2
61.98833	100.0
69.40455	0.4
69.40868	1.6
71.01399	0.6
73.02927	0.3
78.95940	0.4
85.02951	0.4
85.55141	0.2
87.00870	0.4
93.03467	0.3
99.00867	0.3
112.98832	0.3
113.02486	0.3
119.05081	0.3
135.04460	0.3
137.02437	0.4
148.94847	0.2
151.00319	0.3
191.63925	0.2
201.05608	0.8
202.05922	0.3
215.03523	0.2
218.57254	0.2
255.03125	0.3
271.02606	0.8
299.01874	0.2
300.02777	1.5
301.03903	0.3
326.70856	0.2
372.72684	0.2
373.26025	0.2
411.44846	0.2
577.28632	0.4
607.79388	0.4
608.29962	0.7
609.15131	1.1
609.27661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15781	0.9
58.84710	1.0
61.62579	1.0
61.98835	100.0
66.44790	1.0
69.74278	6.1
72.81503	0.9
78.95910	1.5
80.26450	0.8
99.44843	0.9
137.06258	1.0
152.99590	1.1
236.92490	1.1
242.11916	1.2
271.02582	1.9
288.10956	1.0
300.02631	1.8
609.14301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23502	2.3
56.66219	2.5
57.03452	4.9
59.01382	100.0
66.27457	2.2
69.40400	12.1
69.40837	8.2
71.01378	20.3
73.02948	5.5
73.83424	2.5
83.01387	3.2
83.27831	2.1
85.02949	10.1
89.02441	5.6
95.01405	3.5
101.02450	10.1
107.36869	2.3
112.98819	3.4
113.02464	13.3
125.02428	4.3
143.10799	7.8
149.00929	2.5
160.01593	2.7
161.04570	8.0
191.03612	3.4
252.21646	2.5
321.88702	2.4
359.27985	8.7
503.32321	76.2
504.32407	9.1
521.33240	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98847	1.6
65.95017	1.4
68.63092	1.6
70.93694	2.6
70.94043	3.3
71.01375	19.2
73.02950	6.7
83.01396	4.3
85.02937	9.3
86.25893	1.3
87.00877	3.1
89.02445	7.9
89.60880	1.4
95.01387	3.1
99.00900	3.3
101.02452	15.8
112.98808	1.4
113.02454	16.5
119.03502	1.9
135.04515	3.1
149.06085	2.0
159.04611	1.6
161.04564	9.8
177.05605	3.1
179.03615	1.4
203.03452	5.9
252.04329	4.0
267.06616	8.7
329.27097	2.1
341.26785	1.5
359.28040	7.2
397.13425	1.8
503.32288	57.5
504.32581	6.8
521.33301	18.4
522.33539	2.7
563.34192	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	607.2427
Annotation	Tiliasine
Peak:m/z	Relative Intensity
59.01382	3.3
61.98832	2.6
63.96234	1.2
65.94419	0.4
69.68092	2.7
71.01390	6.1
72.99322	0.5
73.02946	1.7
74.42384	0.4
78.98598	5.3
79.95737	12.4
80.96516	55.2
81.03468	0.5
81.10420	0.4
83.01377	0.4
85.02951	2.9
87.00880	2.8
89.02456	0.7
94.98087	12.1
96.96015	0.7
97.02958	1.5
100.79631	0.4
101.02437	2.5
106.98090	2.4
108.94198	0.4
113.02474	0.8
122.97588	4.8
125.02462	2.8
127.04031	0.8
134.97581	3.9
136.99139	0.9
148.99139	5.0
152.98622	6.1
152.99718	0.7
164.97273	0.7
164.98634	11.1
165.12866	1.0
179.00224	0.4
182.78400	0.4
182.99718	2.4
183.13904	0.9
186.51205	0.4
188.98535	0.4
206.99663	2.0
209.03857	0.4
209.11810	1.6
225.00722	14.2
227.12900	2.8
243.01830	1.3
299.01556	0.5
299.04453	2.3
607.24316	100.0
608.24750	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	607.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03440	1.8
58.00595	1.5
59.01381	38.6
61.98835	2.6
69.03423	0.9
71.01384	18.6
72.99297	3.0
73.02950	2.9
75.00861	0.7
76.92142	0.6
78.95875	0.9
80.96533	1.1
83.01398	1.5
83.04993	0.7
85.02958	4.5
87.00877	11.1
88.98817	1.0
89.02448	11.5
89.28264	0.7
95.01378	1.3
96.96001	1.5
99.00872	1.7
99.96945	0.6
101.02444	10.4
103.00341	1.7
108.02184	1.4
109.02962	0.9
112.98817	4.2
113.02445	6.5
118.90060	0.6
119.03501	3.0
119.05053	0.8
121.03022	0.9
125.02420	0.8
130.99881	1.0
134.03671	1.0
135.04509	2.6
137.02431	0.9
149.00916	3.6
149.04617	0.7
151.00386	0.6
152.01172	2.1
161.02463	1.3
163.04060	0.7
175.03947	1.1
179.03528	1.4
180.33337	0.6
183.13889	1.4
203.03514	0.7
209.11807	1.5
211.07655	0.6
211.09674	1.2
213.09224	0.7
221.19078	1.0
227.07074	0.7
237.18640	1.5
241.01498	0.7
243.02852	0.8
265.47958	0.6
271.02524	1.8
283.19122	1.2
295.22766	11.6
296.23154	1.3
299.02014	4.3
300.02805	0.9
301.03519	0.8
301.20044	0.9
313.23798	2.6
343.12122	1.6
343.62561	0.8
359.27936	1.1
375.48337	0.7
401.15573	0.8
403.16998	0.9
413.15652	0.8
431.17065	1.8
463.25626	6.7
475.29114	100.0
476.29321	9.5
503.32333	2.4
505.26477	4.9
521.33435	0.8
545.30035	0.8
558.92499	0.7
563.34674	1.2
606.78400	1.3
607.13000	1.0
607.23273	2.2
607.30438	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	607.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65511	1.8
51.65916	1.8
56.86280	2.2
57.03447	2.8
59.01386	46.7
61.98826	8.4
70.30299	1.6
71.01389	16.9
73.02956	5.6
79.95744	3.1
80.96511	5.9
83.01392	5.7
85.02956	9.7
86.06109	1.9
87.00890	9.2
89.02449	4.6
99.00883	2.3
101.02460	9.8
103.00353	3.1
112.98821	9.2
113.02448	7.9
119.05019	3.8
121.02952	21.2
122.45774	1.7
125.02483	2.2
125.06075	2.1
127.02859	2.0
135.04509	5.1
139.04018	2.3
149.01044	3.0
161.04524	2.3
163.04047	4.0
164.04686	2.6
165.05475	2.7
172.07436	2.1
179.03535	3.2
184.84219	2.2
206.29048	1.9
209.08212	8.8
209.11797	9.5
210.08507	4.6
211.08797	2.8
241.13875	2.1
271.02661	2.4
276.08667	2.1
301.10596	2.4
313.23898	4.9
332.71103	2.5
332.75662	2.2
341.26974	4.6
359.28036	94.4
360.28351	6.5
373.29547	2.4
397.13220	4.3
401.16415	2.5
401.28665	2.6
402.16489	4.5
403.16626	4.4
426.06061	2.0
462.73816	2.2
475.28271	2.8
487.33002	4.0
492.09155	2.2
503.32166	5.7
521.33356	23.1
563.34363	100.0
564.34479	8.5
606.78162	2.1
607.24139	6.0
607.81195	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	607.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
58.11118	0.2
59.01384	2.9
60.99320	0.2
61.98830	0.6
63.02428	0.4
65.87873	0.2
72.99312	1.1
73.02952	0.5
77.66051	0.2
78.74946	0.2
83.01411	0.6
85.02964	0.5
87.00874	1.2
87.04520	0.2
88.98826	0.4
89.02454	0.7
93.03461	3.1
99.00906	0.4
99.04530	0.2
101.02444	0.7
103.00385	0.3
105.01926	0.3
107.01414	0.3
109.02972	0.5
112.98824	0.6
113.02439	0.6
117.03459	0.2
119.05027	3.0
123.04519	0.7
125.02466	0.3
133.02946	0.6
134.02243	0.2
134.03725	0.7
134.06068	0.2
135.04553	1.3
137.02452	6.0
145.02960	0.7
148.01752	0.3
149.00916	0.7
149.02393	0.4
149.06032	0.3
150.03218	0.4
151.00357	0.8
151.03963	0.3
152.01100	0.3
153.01979	0.4
161.02428	0.6
161.04578	0.2
163.03996	1.9
165.04054	1.6
165.05508	0.4
167.03545	0.4
174.03204	0.2
175.04001	0.5
177.05548	0.2
178.02856	0.3
179.03430	0.9
193.05070	0.3
202.58917	0.2
202.88478	0.2
203.03522	0.3
208.03651	0.3
211.03929	0.4
223.06039	0.9
227.03554	0.5
240.04105	0.2
241.01346	0.5
251.11996	0.2
255.02972	8.6
256.03702	2.2
257.04367	0.2
267.11661	0.2
268.03616	0.3
269.04575	0.4
270.01630	0.4
271.02185	0.4
277.03174	0.2
283.02512	2.1
284.03253	49.2
285.03671	3.9
297.04099	1.2
298.04730	0.8
299.05591	100.0
300.05954	7.0
309.15009	0.3
313.03513	0.5
327.08621	0.7
341.06430	0.4
355.12997	0.3
385.12726	0.2
403.14157	0.3
415.15039	0.6
439.12259	0.6
475.21500	0.4
492.06192	0.2
547.27875	0.8
565.29193	0.4
607.16614	3.2
607.25458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42784	1.0
50.89077	0.7
51.78689	0.7
59.01381	8.8
61.98826	13.9
69.03448	1.0
70.63453	2.6
71.01379	9.2
73.02925	1.8
77.24440	0.7
78.95895	1.9
78.98586	4.3
79.95738	13.1
80.42693	0.8
80.96516	53.0
81.03453	1.0
83.01364	1.3
84.47670	0.8
85.02937	3.1
87.00877	3.2
89.02430	2.3
94.98086	12.3
95.01372	0.8
96.96035	1.7
97.02964	2.0
99.00881	1.3
99.07371	0.9
101.02454	3.8
106.98071	2.7
112.98827	2.7
113.02428	1.7
121.02955	0.9
122.97585	5.5
125.02437	2.3
127.04028	0.8
133.02980	1.4
134.97575	3.9
135.04489	2.5
136.99095	2.0
137.02458	1.2
143.03560	0.9
145.48111	0.8
148.99152	4.4
152.98615	6.0
152.99675	1.3
161.02412	0.8
163.04034	0.8
164.98628	9.1
179.03435	1.6
182.99680	2.2
194.08673	0.9
201.05562	2.3
206.99664	3.1
209.11757	2.9
211.13531	1.1
225.00737	13.5
230.18407	0.9
241.01328	1.9
243.01762	1.4
245.00607	0.9
247.80757	0.8
270.01691	1.1
299.01819	3.1
299.04630	2.4
311.22382	1.0
543.19006	0.8
577.38300	1.0
607.24268	100.0
608.24615	11.7
623.75854	1.0
635.67017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95242	0.3
51.50808	0.2
52.05616	0.2
59.01373	1.7
61.98832	100.0
71.01388	0.6
74.80863	0.3
86.65274	0.3
87.00913	0.6
87.39076	0.3
112.98829	0.8
114.05610	0.5
135.04570	0.4
137.74081	0.3
178.02867	0.4
179.03586	0.5
234.11589	0.3
293.21597	0.4
311.22348	0.7
607.25360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48385	0.2
52.58395	0.2
56.60650	0.2
59.01377	0.8
61.98830	100.0
69.90121	0.6
69.90539	0.6
75.00890	0.2
76.38496	0.2
80.77845	0.2
80.96519	0.3
90.05276	0.2
93.68111	0.2
101.02531	0.2
107.97614	0.2
112.98837	0.3
114.05634	0.5
133.02983	0.2
135.04532	0.4
149.00923	0.4
225.00452	0.2
299.02164	0.2
369.35858	0.2
399.69150	0.3
541.25574	0.3
607.24927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	20.3
61.98832	3.4
71.01391	9.2
71.61073	3.0
71.61442	4.4
72.99307	7.9
87.00876	24.5
89.02467	5.1
101.02437	5.4
103.00374	10.3
109.02956	5.2
112.98821	3.7
113.02440	3.6
115.00426	3.9
116.92862	13.0
119.05029	40.1
123.00903	5.8
130.99844	6.1
133.01445	4.5
135.04524	89.2
136.04820	3.4
137.02437	6.5
138.03230	11.1
147.68605	2.6
149.00905	100.0
149.06078	3.1
151.03993	21.4
153.05576	6.2
163.04028	49.5
166.99881	3.5
179.03499	98.1
181.01427	5.0
182.02209	12.3
190.05975	3.6
197.04555	28.2
224.03374	4.5
239.05571	21.0
255.10237	23.3
256.10526	3.1
269.06662	3.4
286.41336	3.0
295.04593	8.9
299.09189	5.2
311.04181	8.3
343.08255	29.6
359.09796	4.3
359.25363	3.4
401.11053	15.6
445.13412	4.5
475.08942	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	606.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23148	2.4
70.10633	11.1
72.00890	2.9
73.00467	2.4
86.02477	9.1
93.03459	3.4
105.46984	2.5
108.00024	2.4
109.68998	2.5
119.05035	14.8
135.20833	2.6
146.03078	4.7
147.77321	2.6
163.04010	21.1
171.81346	2.3
194.08226	30.8
195.08499	3.3
196.30107	2.5
211.72514	2.7
213.03653	4.4
215.05157	3.5
234.06236	14.7
236.07771	8.8
255.08780	6.9
263.15311	2.5
303.08496	16.9
321.09406	4.9
384.97440	2.5
411.14224	26.9
429.15170	6.2
606.23126	100.0
607.22980	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55444	2.3
61.98833	4.6
63.94315	2.7
68.62480	2.4
71.24957	4.9
154.93024	2.5
195.63823	2.4
226.12311	2.6
296.70297	2.4
425.10559	2.8
430.17880	7.5
444.19519	4.9
445.20355	100.0
446.20694	8.8
459.21838	20.3
460.22546	8.5
487.20990	3.6
504.14410	5.1
504.21683	65.5
505.21939	7.4
513.12762	2.7
518.23224	14.8
519.23993	82.3
520.24335	9.2
553.70367	2.8
573.25391	4.0
605.27716	62.6
606.27997	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	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28801	4.2
57.03459	4.5
57.42795	4.1
59.01382	60.6
59.97472	4.9
61.98821	17.6
68.99818	4.8
69.32490	41.0
71.01373	21.3
78.95920	5.0
79.82939	5.2
85.02970	9.0
87.46268	5.1
89.02436	12.8
95.01287	5.0
99.00854	5.2
101.02427	20.5
112.98798	16.7
113.02483	11.1
119.04968	4.6
131.96835	4.4
133.02998	5.0
143.04994	6.9
145.02995	4.9
154.39056	4.6
161.04568	11.4
171.07936	6.6
171.10291	6.3
179.03514	5.3
194.32863	4.6
197.11794	14.6
199.03981	14.0
200.04755	11.8
207.10384	5.8
211.13507	9.2
215.07169	8.0
227.12862	7.2
243.06621	7.2
253.09265	52.9
291.19647	40.4
309.20685	100.0
310.20956	7.3
534.09747	4.4
605.35284	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	606.1832
Annotation	Geodiamolide J
Peak:m/z	Relative Intensity
57.03443	0.9
58.02978	16.7
59.01381	8.3
61.98832	4.6
71.01375	5.1
71.38660	0.9
72.99308	3.5
73.02944	2.1
78.79900	0.6
83.01406	1.5
85.02956	3.4
87.00890	2.9
89.02451	1.8
93.03500	0.9
95.01401	2.3
97.02927	0.6
99.00884	1.3
101.02441	2.5
103.00386	1.0
108.02179	47.4
109.02988	14.0
112.98830	2.5
113.02449	2.7
119.05033	8.1
121.02959	1.0
122.14483	0.6
123.00861	1.3
123.04529	2.8
128.03473	0.6
133.02956	1.1
134.03749	0.8
135.04547	4.1
137.02405	0.8
145.02921	1.2
147.04485	4.1
149.00909	2.6
149.02338	0.8
149.04562	1.0
151.03963	1.0
152.01155	100.0
153.01875	5.5
155.08282	1.2
161.02455	3.3
161.04385	0.8
163.04013	8.0
164.07158	8.0
165.01985	1.0
165.04047	1.1
165.05435	0.9
167.03491	2.4
172.81744	0.7
175.03992	1.2
177.01971	0.8
177.05550	1.1
179.03494	2.9
193.05064	0.8
193.99655	0.7
203.03513	0.8
206.08211	10.9
219.03015	0.7
223.06087	2.6
241.01369	0.9
241.07289	0.8
245.00790	1.0
253.08452	0.7
267.04977	0.9
271.02371	1.1
283.02335	0.7
299.01974	1.8
328.12692	0.8
339.12207	0.9
340.12598	1.0
399.09308	27.3
400.09744	2.3
417.10391	13.5
439.12341	1.8
444.19101	0.9
457.14404	0.9
474.15048	0.8
525.43439	0.8
547.14612	7.7
606.18268	87.0
607.18787	12.8
626.64771	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77810	3.2
59.01377	85.7
61.30856	3.2
64.18832	3.6
69.56905	27.8
69.57257	4.7
71.01385	32.0
73.02949	18.4
78.76132	3.7
85.02952	11.0
87.00869	5.3
87.20407	3.7
89.02441	16.0
99.00903	26.0
101.02433	14.5
113.02448	15.6
121.70943	3.2
123.08195	17.2
149.00867	4.2
149.04536	11.6
161.04579	7.8
163.11324	18.1
184.95554	3.7
189.12848	17.1
191.05602	5.9
207.13881	13.4
233.06642	3.4
301.56476	3.7
426.01501	4.2
429.20850	6.1
501.23618	3.7
519.24420	32.2
561.25488	100.0
562.25836	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	605.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70933	1.4
53.54923	1.3
57.03451	2.2
59.01144	2.0
59.01385	24.1
61.98841	10.3
65.00326	1.6
68.99827	1.7
71.01373	6.2
71.62816	2.9
72.99318	10.6
73.02942	2.7
73.99230	1.2
84.81552	1.2
84.99308	5.6
85.02956	5.4
87.00881	27.8
89.02454	2.6
91.85360	1.5
93.03456	1.8
95.05024	1.6
96.96019	2.0
97.02921	1.5
97.06583	3.1
99.00893	1.8
101.02435	4.0
103.00367	2.5
112.98824	100.0
113.99162	2.1
117.03473	4.1
119.05038	68.8
120.05380	2.7
121.02963	4.0
127.00356	4.7
133.02969	2.5
135.04498	5.8
137.02501	2.1
143.05020	2.8
145.02972	21.2
147.04544	11.4
149.00926	2.3
150.03174	2.7
151.03963	2.8
154.08682	3.2
159.04533	1.5
161.02411	1.5
161.06071	1.8
163.04027	50.7
165.05571	3.0
171.10291	3.5
175.04034	10.5
177.05678	1.8
179.03448	2.7
185.11761	1.9
189.05641	3.4
191.14389	4.3
200.67593	1.3
203.03506	37.1
204.03722	1.6
205.04973	2.5
205.12450	1.5
209.08208	2.6
209.11667	1.6
211.13428	8.7
215.03528	8.0
215.09262	1.5
221.11868	2.0
229.14464	3.4
233.04462	2.3
234.09212	1.4
253.14394	2.9
259.02487	3.6
277.03555	64.7
278.03824	3.8
291.19785	3.3
309.20773	7.2
327.21808	29.2
327.25357	2.7
328.22174	2.7
339.25531	3.2
341.23184	1.5
346.51141	1.3
351.21790	12.6
357.26526	27.2
358.26736	2.5
366.54813	1.5
383.14795	3.4
401.16019	7.0
402.16360	1.4
423.20163	1.6
441.21191	2.4
561.33118	7.3
605.22278	2.4
605.35510	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	605.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38501	2.7
59.01378	88.3
70.92482	7.4
71.01385	30.5
73.02960	16.0
85.02946	10.2
87.00858	5.5
89.02449	13.2
91.79636	3.4
95.01419	3.5
95.57059	3.8
99.00887	22.1
101.02430	14.8
113.02431	14.4
123.08138	9.2
149.00858	3.4
149.04538	11.8
150.48352	3.4
161.04478	6.6
163.11279	8.2
182.14801	3.7
184.83386	3.4
189.05719	3.3
189.12834	13.5
191.05576	9.2
207.13916	15.4
226.79192	4.1
259.42804	3.3
320.78729	3.3
429.20911	5.8
501.23715	4.8
519.24396	29.6
561.25580	100.0
562.25568	12.5
573.79053	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	605.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	42.6
61.98828	6.4
70.18639	8.0
71.01384	41.2
72.83749	2.1
72.99310	3.8
73.02952	6.4
75.00861	3.7
76.10186	2.3
83.01389	6.8
85.02960	16.0
87.00883	11.7
88.98825	4.7
89.02445	27.6
93.03467	5.1
95.01412	5.2
96.96032	6.4
99.00859	4.6
99.92613	3.6
101.02457	23.0
109.02943	7.5
113.02438	17.8
114.93362	3.3
116.92861	15.6
119.03501	9.4
119.05048	6.4
122.03749	2.3
133.02937	2.9
135.04532	29.3
145.02950	7.2
149.00922	11.8
149.02383	1.9
149.06073	19.4
150.03241	7.5
152.01169	3.8
159.04489	7.4
161.02435	7.9
161.04666	4.1
161.06059	8.4
163.03969	4.3
165.05576	15.5
167.03261	2.4
171.04465	3.0
173.06012	2.3
175.03900	4.1
177.05626	5.6
179.03473	6.7
179.05548	2.6
187.04066	3.4
189.03970	3.9
189.05580	59.6
191.03714	2.9
195.06575	5.1
207.06639	8.8
219.06633	4.1
221.04613	5.7
231.06593	4.2
235.06192	3.2
239.05534	3.1
249.07721	5.3
253.08701	3.8
271.20325	2.2
275.41953	2.2
311.07620	5.4
353.08524	2.6
414.10855	2.8
443.13120	5.0
443.19272	100.0
444.19571	11.9
473.13480	3.9
527.13379	3.1
545.14813	3.0
605.15942	3.6
605.25513	19.7
606.24902	3.8
624.65582	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03440	1.3
59.01380	9.0
61.18385	1.0
61.98818	0.9
70.20361	1.8
70.20766	3.0
71.01389	7.0
72.99314	1.8
73.02953	2.0
73.48730	0.8
83.01382	1.5
85.02934	2.6
87.00868	1.5
89.02445	4.8
93.03435	1.0
96.57226	0.8
96.96031	2.4
99.00876	0.9
101.02459	5.4
106.78731	0.9
108.02208	1.0
109.02938	10.3
111.00932	1.0
111.73775	0.8
113.02427	2.2
115.82425	0.9
116.05060	2.6
116.92825	2.0
119.03575	0.9
119.05025	2.2
121.02998	0.8
121.06509	1.2
123.04488	2.7
133.02972	0.9
133.06641	1.1
135.04515	18.5
143.05038	2.9
145.02942	1.5
145.06560	1.3
146.03748	1.0
147.04475	1.9
149.00909	2.2
149.06079	69.9
150.03214	1.6
150.06412	2.5
159.04494	2.6
160.05301	1.3
161.02463	1.4
161.04660	1.5
161.06056	11.8
163.04036	3.5
163.07578	1.7
165.05565	3.5
171.04556	4.3
173.06075	2.2
174.03192	4.2
175.03983	3.0
176.04652	1.1
177.05574	2.2
178.11255	0.8
179.03532	1.7
179.05533	1.0
187.03934	1.1
188.04703	2.3
189.05562	100.0
190.05905	5.0
191.03503	1.1
191.07089	3.3
193.05069	3.0
201.05426	1.1
203.08252	4.0
205.05078	2.0
207.06644	11.1
219.06644	2.2
221.04518	3.5
223.06155	1.5
231.06635	3.6
233.04509	2.0
235.06065	2.7
237.04012	8.4
239.05629	2.0
249.07661	3.5
251.05696	1.6
295.08255	3.4
297.07715	1.0
313.09296	9.9
339.07376	5.1
441.10138	3.2
443.19211	26.5
467.19232	1.9
483.14743	3.4
485.20203	1.3
519.13324	2.3
527.14136	3.3
529.15326	1.1
543.13354	1.1
545.15045	4.0
561.14679	11.2
562.14874	1.4
575.16162	1.8
605.17059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03394	0.6
57.03652	0.3
59.01287	5.1
59.01622	1.0
60.29240	0.3
61.98735	3.8
66.67908	0.3
67.28450	0.3
69.44605	2.1
71.01271	1.4
72.99223	0.5
73.02873	0.3
83.01281	1.9
85.02886	0.5
87.00818	0.7
88.11479	0.3
89.02359	0.6
95.04935	0.8
96.95914	0.5
97.02841	0.5
97.06525	0.6
98.20575	0.5
98.39602	0.3
101.02329	1.0
103.00278	0.4
107.04947	0.6
109.02816	1.5
112.98784	1.7
113.02363	0.8
119.04939	0.5
121.02862	0.8
122.03635	0.6
123.00782	0.9
123.04508	2.0
123.08051	1.0
124.01559	1.5
125.02357	0.8
125.05942	1.1
135.04402	1.5
136.01599	0.7
137.02431	6.1
138.03232	6.2
139.00317	0.4
139.03860	2.5
141.09126	0.7
147.04355	1.0
147.08008	0.6
148.05106	0.3
149.02448	2.8
149.05972	0.7
150.03221	36.8
151.04016	7.6
151.38239	0.4
152.00992	0.6
152.04684	0.7
153.05438	0.5
159.04385	0.4
161.02318	1.3
162.03108	0.4
163.04010	5.6
164.04788	29.7
165.05559	14.8
166.02612	0.6
166.05827	0.3
167.07063	0.5
175.03841	1.4
176.00966	1.3
176.04626	0.6
177.05415	1.0
178.02710	3.2
179.03571	2.2
179.07068	1.8
189.05417	0.4
191.03413	1.3
191.07137	2.8
202.06230	0.5
208.07166	0.9
209.08173	14.8
210.08441	0.5
216.07809	0.5
220.07367	0.6
223.09744	2.8
223.16951	0.5
229.48175	0.4
234.08952	4.9
235.09715	3.7
238.31245	0.4
249.11302	16.4
250.11526	0.6
255.06662	0.7
257.08087	0.6
267.06577	0.5
282.05081	0.4
283.06149	2.5
284.06729	1.1
285.07394	0.4
286.04745	1.0
298.08331	0.9
299.05515	0.5
299.09079	0.9
300.06335	2.5
301.07169	8.7
302.07434	0.4
311.22229	0.4
314.07654	0.7
315.08765	2.6
316.09506	15.2
317.09753	1.4
329.13925	0.6
330.11172	0.4
331.11847	0.6
348.08536	0.4
357.26425	1.2
386.13867	1.0
401.16058	100.0
402.16382	9.9
473.27487	5.1
473.33710	0.4
474.28329	0.5
481.02716	0.4
510.70895	0.4
545.20416	1.5
561.33197	1.1
563.22162	0.4
605.22540	13.3
606.22809	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	605.2406
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
56.10809	0.3
56.86821	0.2
70.70973	0.9
77.56330	0.2
78.95877	0.3
93.05863	0.3
106.06688	0.3
118.97179	0.3
122.30924	0.3
149.15715	0.2
242.35089	0.3
259.12729	0.3
350.16660	0.3
394.12003	0.3
415.15399	0.6
416.16647	0.7
429.17117	0.9
430.17923	1.3
437.86124	0.3
443.18436	0.9
456.15820	0.4
457.20767	1.8
458.20959	0.9
459.17911	2.6
461.23367	0.5
470.21310	0.8
471.18454	1.5
472.19061	0.7
473.19791	5.1
474.20398	0.4
475.21213	0.6
485.18729	1.9
485.23724	1.0
486.20697	3.5
487.21417	1.3
496.19232	1.0
499.17560	2.6
500.18103	0.9
501.22723	2.1
502.19641	0.6
503.20737	0.4
511.21246	2.2
512.21698	0.5
513.19202	2.3
514.20044	8.6
515.20227	1.1
517.18677	0.4
518.19464	1.3
529.22430	100.0
530.22723	14.6
532.20697	1.7
533.21667	1.9
561.24988	0.9
573.21356	1.3
605.24402	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38170	0.8
58.09906	0.8
61.98817	1.5
77.43512	0.8
78.95920	1.1
84.04931	0.9
112.10513	1.1
156.66171	0.9
156.78636	0.8
415.15894	1.2
416.17117	1.1
430.18182	1.2
443.18832	1.3
459.18127	3.2
470.20889	1.1
471.18152	2.6
472.18988	1.6
473.19806	3.0
485.19342	1.6
486.20609	5.2
487.21066	1.7
499.17661	2.7
501.22461	3.0
511.21463	2.2
513.19446	3.2
514.20154	10.1
515.19867	1.4
518.19452	1.7
523.63458	0.9
529.22430	100.0
530.22736	15.2
532.21228	1.9
533.21576	2.4
561.24731	1.2
573.21417	1.6
605.23926	2.6
605.43640	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.0
58.03149	0.5
59.01102	1.0
59.01379	14.6
61.98522	0.6
61.98830	10.1
66.78818	0.5
69.24525	0.5
69.36687	5.3
71.01389	2.9
71.05003	1.9
72.99301	0.7
73.02934	1.4
79.95737	1.6
80.96514	1.0
83.01392	10.3
85.02916	1.0
87.00853	2.2
89.02425	1.3
95.05053	3.0
96.95987	0.9
97.02942	4.9
97.06578	5.8
99.00844	1.0
101.02412	2.2
105.07062	0.6
107.05020	3.7
108.02198	0.7
109.02971	2.7
110.03723	1.3
112.98852	3.0
113.02429	1.2
116.92857	0.7
119.05031	1.0
121.02937	0.8
123.00878	1.4
123.04521	3.3
123.08170	3.7
124.01636	2.5
125.02433	2.1
125.06078	9.0
134.03741	0.9
135.04555	3.4
136.01599	0.8
137.02444	14.3
138.03239	8.0
139.04015	9.3
141.09200	5.4
147.08145	4.5
148.01689	0.6
149.01006	1.0
149.02435	3.1
149.06073	1.8
150.03224	41.6
151.00279	0.7
151.04010	13.1
152.01187	1.2
152.04669	1.3
159.04567	0.8
161.02397	1.4
163.04013	6.8
164.04784	35.2
165.05574	16.6
165.09152	0.9
166.02692	0.8
166.06039	0.7
167.07117	2.9
171.10141	0.6
175.03996	2.1
176.01112	4.1
176.04686	1.0
177.01965	1.4
177.05612	2.0
178.02727	2.7
179.03532	2.8
179.07135	2.0
189.05513	0.9
191.03542	4.6
191.05367	1.1
191.07132	13.5
194.83699	0.6
203.03406	0.8
205.74129	0.5
207.06700	1.2
208.07326	1.7
209.08185	87.4
210.08496	3.5
215.09180	0.8
217.08688	0.8
220.07397	0.6
221.08145	0.6
223.09801	3.6
224.37459	0.6
225.00842	0.6
231.10152	0.7
234.08910	5.7
235.09779	3.6
249.07603	0.9
249.11320	17.1
250.11705	0.9
267.06580	2.2
274.21277	0.7
283.06216	2.9
284.06903	1.5
285.03928	0.5
285.07727	1.4
286.04999	1.3
288.28809	0.6
298.08444	0.6
299.05750	0.7
299.09134	0.9
300.06400	2.2
301.07159	7.6
302.07605	0.6
311.22421	0.7
314.07953	0.8
314.50674	0.6
315.08804	2.4
316.09479	17.1
316.13040	1.1
317.10004	0.8
331.11761	1.0
353.10132	0.7
357.26605	2.0
380.77789	0.7
386.13440	1.0
401.16147	100.0
402.12039	1.0
402.16519	9.5
453.12946	0.7
473.27512	7.9
485.30875	0.8
501.30569	0.7
545.20831	0.8
561.32947	4.3
563.20667	0.7
605.20300	20.9
606.19904	3.5
631.10272	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.5
59.01377	8.1
61.98825	2.6
71.01389	2.1
71.03761	0.3
72.99284	0.5
73.02958	0.9
75.00877	0.4
79.95743	0.7
80.96521	0.8
81.65932	0.3
83.01370	0.8
83.04993	0.4
85.02959	0.9
87.00879	1.0
89.02421	0.5
93.03430	0.3
97.06557	0.4
98.20647	0.9
101.02425	0.9
109.02936	1.4
112.98822	1.8
113.02430	1.3
113.57127	0.3
119.05026	0.8
121.02979	0.8
123.00903	0.7
123.04528	2.2
124.01676	1.1
125.02422	0.9
134.03758	0.6
135.04514	1.9
136.01643	0.4
137.02440	5.8
138.03252	5.6
139.00362	0.8
139.04053	1.7
145.02943	0.4
147.04477	0.8
149.00954	0.8
149.02435	3.0
149.06065	0.7
150.03221	35.2
151.00342	0.4
151.04025	5.6
152.01134	0.6
152.04718	0.7
153.01949	0.6
153.05545	0.5
161.02406	1.2
162.03207	0.7
163.04024	6.6
164.04790	29.4
164.98459	0.3
165.05569	13.0
166.02687	0.8
167.07182	0.5
175.03989	1.5
176.01135	0.9
176.04782	0.8
177.05522	1.2
178.02687	3.1
179.03526	2.1
179.07108	1.8
186.54915	0.4
191.03456	1.1
191.07224	0.6
202.06244	0.4
208.07506	1.1
209.08162	3.4
223.09740	3.3
234.08965	4.8
235.09727	3.3
249.11307	15.5
250.11560	0.7
254.05859	0.4
255.06557	0.7
257.08191	0.4
277.03064	0.4
283.06165	2.0
284.06851	0.9
285.07669	0.4
286.04715	0.9
298.08377	0.7
299.05826	0.6
299.09198	0.9
300.06387	2.0
300.09570	0.4
301.07135	8.1
302.07559	0.6
315.08624	2.5
316.09503	13.9
317.09888	1.3
331.11862	0.8
336.44980	0.4
357.26239	0.4
368.12860	0.3
383.14874	0.4
386.13855	0.9
401.16052	100.0
402.16425	9.0
458.84866	0.4
473.27069	0.7
545.20435	0.7
561.32587	0.8
605.22559	8.4
606.22778	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.5
59.01382	8.4
59.77088	0.4
60.86771	0.4
61.98829	6.9
68.21111	0.4
71.01385	2.2
71.05012	0.7
71.30569	0.9
71.30927	0.5
72.99317	0.5
73.02955	0.6
79.82111	0.3
83.01392	3.3
83.01778	0.4
85.02979	0.8
85.21944	0.4
87.00884	1.3
87.07899	0.4
89.02441	1.2
95.01325	0.5
95.05038	1.2
96.96028	1.0
97.02957	1.5
97.06597	2.1
100.70700	0.4
101.02451	1.5
103.00398	0.6
107.05042	1.8
108.02161	0.5
109.02945	2.5
112.98808	1.3
113.02459	1.2
115.12645	0.4
119.05060	1.1
121.02934	1.1
121.22946	0.4
123.00894	0.7
123.04546	2.2
123.08171	2.0
124.01672	1.7
125.02435	1.2
125.06098	3.4
135.04527	2.2
136.01654	0.5
137.02457	8.1
138.03230	6.6
139.04021	5.0
141.09250	2.0
147.04565	0.7
147.08197	1.0
148.01585	0.6
149.02431	4.1
149.06058	0.6
150.03227	39.3
151.00449	0.6
151.04022	8.4
152.04768	0.7
153.01842	0.7
153.05574	0.9
161.02455	1.3
161.59099	0.4
162.03249	0.5
163.04012	5.8
164.04796	32.6
165.05573	14.9
165.09245	0.5
166.02692	0.6
166.05870	0.5
167.07120	1.1
171.10236	0.5
175.04021	1.5
176.01178	1.8
176.04718	0.8
177.01877	0.6
177.05547	0.9
177.12729	0.4
178.02744	3.0
179.03534	2.7
179.07143	1.9
190.06374	0.6
191.03490	2.7
191.07106	5.5
202.06265	0.5
207.06654	0.6
208.07390	1.9
209.08192	34.2
210.08551	1.4
217.08713	0.6
220.07581	0.5
223.09776	3.3
234.08990	6.1
235.09662	4.2
240.66019	0.4
249.11305	17.0
250.11749	1.3
255.06746	0.8
267.06613	1.4
283.06079	2.8
284.06924	1.3
285.03918	0.6
285.07678	0.9
286.04834	1.8
298.08585	0.6
299.05841	0.6
299.09262	0.8
300.06442	1.8
301.07120	8.4
301.10281	0.6
302.07440	0.6
311.22260	0.5
315.08624	2.6
316.05801	0.9
316.09485	16.5
317.09784	1.4
329.13992	0.5
331.12225	0.8
357.26639	1.1
386.13879	0.9
401.16107	100.0
402.16470	9.9
444.71527	0.4
473.27512	5.9
474.28198	0.7
483.92691	0.5
545.20154	0.8
561.32941	1.6
563.21448	1.0
605.22357	13.7
606.23230	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42721	0.9
53.96326	1.0
59.01389	9.6
71.01390	7.9
72.99285	1.2
73.47196	0.9
81.74267	0.9
83.01431	1.6
85.02962	2.0
87.00889	1.0
89.02437	4.8
95.05001	0.8
96.96022	4.0
99.00850	1.1
101.02443	4.2
108.02145	1.7
109.02960	9.4
113.02460	2.0
115.69735	0.9
116.05038	1.9
116.92863	1.9
119.03490	1.6
120.91979	1.0
121.02905	1.6
121.06564	0.9
123.04526	2.3
125.02477	1.2
133.06602	2.8
134.03841	0.9
135.04536	17.0
143.05011	3.4
145.02936	1.5
146.03749	1.6
147.04512	2.0
148.05315	1.7
149.00977	1.3
149.02327	1.3
149.06079	67.6
150.03206	1.5
150.06445	1.9
151.03983	1.1
159.04480	2.2
161.02437	1.4
161.06076	12.6
163.04010	3.3
163.07626	2.2
165.05586	3.6
171.04498	3.8
173.06081	2.7
174.03214	3.6
175.04013	2.6
176.04735	1.7
177.05505	1.8
179.03519	2.3
188.04816	3.1
189.05566	100.0
190.05916	3.8
191.03586	1.0
191.07111	3.5
193.05075	3.9
203.08466	4.3
205.05013	1.9
207.06644	12.6
219.06595	1.3
221.04527	2.2
223.06114	1.6
231.06622	3.9
235.06120	3.1
237.04010	8.1
239.05576	1.3
249.07658	3.8
251.05444	1.9
295.08301	1.7
311.07892	1.2
313.09290	10.5
339.07169	5.8
370.10852	1.1
441.10269	3.2
443.19269	21.5
444.19647	1.6
483.14944	3.1
519.13708	1.6
527.13989	1.8
533.15204	2.1
543.13580	1.4
545.15033	4.1
561.14594	7.4
562.15186	1.1
575.15820	1.9
605.17749	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	604.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
55.36916	1.3
55.78426	1.5
57.03456	1.9
59.01379	5.3
69.03461	3.5
69.49490	11.7
70.02984	4.0
71.01384	9.4
72.00907	2.1
78.95926	1.7
83.01387	2.1
85.02945	41.8
85.03442	2.4
87.00893	1.5
87.04510	5.3
89.02447	3.2
94.02986	1.9
96.04552	100.0
97.02941	7.8
97.04883	3.1
98.02483	2.2
99.00884	4.4
101.02475	2.5
111.04506	1.9
112.04069	4.4
113.02446	3.1
115.03998	3.5
126.05603	2.4
128.03525	9.7
129.01933	12.4
133.01465	1.9
140.03540	3.2
141.02003	2.2
142.01448	15.3
158.04576	38.1
159.04890	1.5
172.02487	2.2
200.05644	3.6
202.03568	16.8
202.76515	1.7
218.06653	4.8
219.05064	5.8
236.14415	1.4
253.08635	1.9
262.05673	52.7
263.05969	2.0
341.11038	3.5
380.89734	1.7
604.18732	3.4
605.19354	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	604.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95990	1.7
57.03439	5.4
59.01373	6.6
65.78353	1.7
69.03457	4.5
69.91024	9.2
70.02975	3.1
71.01379	11.0
73.65408	1.8
78.95907	2.9
85.02950	45.8
87.00874	2.5
87.04507	4.1
89.02435	2.3
94.02963	1.9
96.04557	100.0
97.02950	8.0
97.04926	2.3
98.02512	1.9
99.00867	4.1
111.00896	3.0
112.03996	2.1
113.02438	2.7
115.04021	4.1
127.29221	1.7
128.03539	10.1
129.01939	12.3
135.04555	2.1
140.03535	3.9
141.01886	5.2
142.01454	17.3
149.00920	2.2
152.01106	2.9
157.94716	1.9
158.04593	33.2
159.03036	2.9
172.02582	2.6
200.05672	2.2
202.03552	15.9
218.06631	4.3
219.05028	5.1
245.57678	1.8
262.02908	3.0
262.05670	57.1
263.05872	3.7
302.47189	1.9
341.10797	5.6
604.17908	5.7
605.18646	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	605.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60430	1.0
54.85118	1.0
59.01379	17.6
59.26363	1.0
61.98822	4.2
65.89373	1.2
68.99803	2.4
69.11515	1.2
71.01388	5.7
71.11586	1.2
71.11935	2.8
72.99303	8.6
73.02935	2.8
84.99308	4.6
85.02937	1.7
87.00872	14.6
89.02416	1.8
90.66472	1.0
93.03464	12.7
96.99344	1.5
101.02453	4.1
103.00376	4.3
107.05040	1.3
109.02940	4.2
112.98808	61.7
113.02418	2.4
117.03461	7.4
119.05025	80.3
120.05334	2.7
121.02934	4.3
124.61553	1.2
127.00362	4.7
129.03458	2.1
130.99843	3.2
131.04997	2.2
132.05797	1.3
133.02948	3.3
133.06584	2.8
134.03717	3.2
135.04529	35.1
137.02455	2.7
143.05020	9.8
144.76152	1.2
145.02953	24.0
145.06517	2.1
147.04509	14.8
149.00914	11.0
149.04414	1.2
149.06129	2.7
161.04813	1.6
161.06065	7.2
163.04002	41.3
164.04311	2.0
171.04517	2.2
175.03996	8.8
177.05467	2.1
178.02655	1.3
179.03447	6.9
187.04019	1.6
189.05606	2.6
191.07182	1.4
203.03502	37.5
204.03796	1.6
205.05051	6.6
209.08200	4.5
211.07611	4.4
215.03491	7.8
222.06848	1.7
223.07631	12.7
224.08214	1.8
233.04393	1.4
235.07539	1.8
237.09190	12.2
239.10706	4.0
240.04056	1.1
259.02399	4.6
265.08624	12.3
269.08200	1.7
277.03531	52.9
278.03830	3.3
283.09784	14.4
309.07538	1.5
325.10721	3.3
327.08731	100.0
328.09042	6.4
335.12509	1.5
341.10773	1.3
369.09744	10.5
402.49997	1.1
411.14294	6.2
429.15503	1.4
443.12393	1.3
455.13486	2.8
459.09216	1.8
473.14508	9.1
473.25659	1.4
474.14969	1.5
501.29947	1.5
554.75098	1.2
561.25610	2.0
605.17200	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15032	1.9
53.63625	2.1
57.03433	2.6
59.01380	44.8
59.09641	2.1
69.40110	8.9
69.40534	9.0
69.51139	1.8
71.01380	18.2
73.02947	3.5
74.32269	2.3
75.00856	1.8
80.75104	2.1
81.03484	2.6
83.01398	4.2
85.02967	4.7
87.00868	3.8
89.02446	13.9
94.47791	2.0
95.01386	2.0
97.06608	4.0
98.20693	3.9
101.02428	13.7
112.98850	3.0
113.02439	6.2
123.04512	6.2
125.09719	6.5
135.04526	4.0
149.00920	5.0
149.06047	2.4
161.04547	5.2
163.11285	8.4
165.12825	3.0
168.11551	2.1
171.10239	4.9
178.02734	2.4
185.11852	10.7
191.14401	6.4
207.10187	3.2
209.11792	20.4
211.13306	2.6
225.11299	5.5
237.11349	5.6
245.19092	18.0
253.09306	54.4
263.20255	4.2
271.16827	3.0
289.18079	100.0
289.21359	4.9
290.18402	8.1
307.19138	99.5
308.19461	6.4
543.28253	2.8
602.72150	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51350	2.5
55.58533	2.1
59.01096	3.0
59.01379	52.3
61.98832	2.2
71.01382	11.1
74.71758	2.3
83.01385	5.0
83.05030	3.8
87.00879	5.7
89.02432	9.8
97.02951	3.1
97.06573	6.7
101.02438	10.1
109.02959	3.3
112.98859	4.1
113.02428	5.4
119.03445	2.6
120.64178	2.5
121.02937	3.3
125.09704	6.8
135.04442	3.0
137.09648	3.6
149.00838	4.5
161.04573	2.9
163.11224	8.2
165.12823	3.2
171.10280	3.9
173.99664	2.4
177.12779	2.6
185.11813	6.9
191.14362	9.9
209.11815	21.7
217.15775	3.1
223.50755	2.7
225.11272	3.8
237.04056	2.3
237.11278	3.7
245.19090	21.2
246.19330	4.1
253.09276	42.7
259.88382	2.6
263.20081	3.7
281.08582	2.8
289.18079	100.0
290.18521	4.3
307.19141	92.6
308.19446	6.7
338.49249	3.0
365.55316	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66452	2.2
59.01093	3.5
59.01382	56.8
61.98825	5.3
66.40690	2.6
67.65728	2.5
68.37351	2.3
68.94935	2.4
70.50613	8.5
71.01376	14.9
72.99332	2.9
73.02935	5.3
81.03465	3.1
83.01388	5.8
85.02961	5.7
87.00887	8.7
89.02461	10.1
97.06610	4.6
101.02454	16.6
111.92862	2.7
112.98800	4.0
113.02480	10.1
119.03488	2.8
119.05050	2.6
123.04527	4.1
123.73998	2.5
125.09741	9.7
135.04523	6.3
137.02446	2.6
137.09666	4.4
143.03456	2.7
149.00900	9.3
149.02509	3.1
150.03247	8.9
161.02431	3.4
161.04565	4.7
163.11246	4.1
165.05534	4.8
165.12944	2.7
169.12462	4.0
171.10263	4.5
177.09206	3.3
179.03401	3.2
185.11792	5.6
189.09294	2.5
189.39682	2.5
191.14439	11.7
197.11702	2.5
198.48979	2.4
203.10725	8.7
209.11841	13.4
210.11757	2.6
211.13551	3.6
225.11292	5.3
230.33368	2.7
245.19089	16.6
253.09286	45.7
263.20135	4.4
289.18091	100.0
290.18405	5.4
302.07901	3.1
307.19141	79.2
308.19348	5.5
355.15463	21.2
356.15695	2.8
399.14380	4.2
427.24939	5.0
600.41199	3.2
603.22064	3.1
603.31348	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68804	2.3
57.03448	3.3
59.01380	96.1
61.98828	28.8
71.01383	25.1
71.61638	3.9
71.61979	3.0
73.02937	8.5
81.03452	3.0
83.01380	4.7
85.02935	8.0
87.00865	10.1
88.98846	3.7
89.02454	14.4
95.05042	5.7
97.02979	3.3
97.06632	4.3
101.02439	17.6
109.02906	3.0
109.06566	3.7
111.08206	3.5
112.98803	10.6
113.02428	6.5
113.06104	3.2
119.03531	3.9
119.04991	4.2
121.02953	20.3
123.04502	4.6
123.08148	3.8
125.09749	7.7
135.04515	6.2
136.01682	6.0
137.02428	8.3
137.09744	3.8
149.00903	14.4
149.02393	5.1
150.03214	6.6
151.11226	6.2
161.04543	5.4
163.11264	7.2
165.05565	3.2
169.12337	9.6
169.39763	3.1
171.10245	11.9
178.02660	4.0
179.03445	5.7
183.13905	9.8
185.11821	8.6
191.14436	8.6
207.10231	8.2
209.11864	11.3
211.13390	4.9
213.11215	4.6
225.11392	4.4
227.12859	6.4
245.19019	16.7
253.09331	39.0
289.18103	100.0
290.18539	6.2
301.07123	3.7
302.07910	10.8
307.19159	69.0
308.19696	5.0
361.97452	3.2
393.17722	9.8
427.24994	5.0
506.14404	3.2
589.47394	3.5
603.30206	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	603.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12002	1.6
59.01400	2.0
60.99310	14.4
69.30054	10.3
69.30470	5.1
84.98871	1.6
87.00884	5.3
88.00401	17.5
88.98811	81.5
89.02445	100.0
98.19849	3.3
148.91014	1.7
164.86662	1.7
277.21600	2.1
295.28030	1.8
339.32080	1.8
341.61172	1.8
358.91922	2.1
372.20154	1.7
558.51080	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.3
57.38090	4.9
59.01380	79.0
61.98835	37.4
71.01377	26.5
71.62006	6.2
71.62467	10.3
72.99329	7.1
75.00880	8.9
78.95895	5.8
83.05013	6.1
87.00886	14.0
89.02459	14.9
90.17706	4.6
96.96000	5.4
97.06565	15.0
100.18405	5.3
101.02425	18.0
103.00370	7.0
111.08159	6.1
113.02507	6.8
121.02961	5.9
133.02971	6.1
134.03745	14.4
135.04539	23.6
149.00879	9.2
151.11285	14.5
153.12810	6.4
161.04636	6.3
165.12860	18.4
167.10820	6.9
168.46326	5.1
178.02745	8.5
179.03540	12.3
179.10727	5.9
181.12349	18.2
191.10829	10.6
209.11836	63.9
211.13434	8.1
227.12888	19.1
245.19096	13.7
253.09329	62.6
263.20105	19.9
289.18011	32.6
307.19153	100.0
308.19470	8.8
309.20706	12.6
427.24823	18.9
441.21259	11.4
445.20840	19.1
460.19543	6.2
543.28015	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92168	7.0
51.04501	6.1
57.03438	6.9
58.00563	6.3
59.01378	100.0
61.98828	17.3
63.79666	6.1
71.01373	18.8
71.61319	10.5
78.95914	6.5
81.57317	6.2
85.02968	10.7
87.00855	14.3
89.02461	12.1
96.95986	6.5
97.06595	10.2
101.02450	15.5
112.98806	11.7
113.02426	18.3
119.05028	7.0
125.02407	9.3
134.03740	9.5
135.04555	32.9
151.11305	10.1
161.04500	7.3
165.12813	13.3
179.03468	9.9
181.12328	9.5
209.11868	52.2
227.12907	9.7
245.19127	15.6
253.09363	23.8
263.20154	17.3
289.18091	24.1
293.21185	8.1
307.19177	79.9
339.15982	24.4
445.20682	17.8
460.19241	6.5
543.27734	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	603.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
57.03435	6.5
59.01377	100.0
61.07290	1.6
61.98827	11.5
69.03457	2.8
69.31513	15.0
71.01385	59.6
72.99317	7.1
73.02949	28.5
73.50944	1.9
79.76490	1.7
83.01396	4.1
84.99300	2.0
85.02943	8.6
87.00880	7.1
89.02444	74.7
96.95986	4.4
97.02937	3.5
98.95589	3.4
99.00878	94.2
101.02451	17.9
109.02971	2.7
112.98801	15.5
113.02443	18.9
119.03541	2.0
119.05026	24.7
125.02445	10.5
130.90407	1.6
131.03508	20.0
135.04524	3.8
141.41756	1.9
143.03503	8.8
145.02953	7.2
147.04532	2.7
149.00893	7.7
149.04546	88.3
150.03221	13.3
150.04860	2.5
155.03502	4.3
161.04587	7.0
161.06044	4.7
163.03998	15.4
165.05563	17.8
165.09196	2.0
168.00681	2.3
175.03946	3.8
179.03526	2.3
191.05595	36.6
203.03535	8.5
203.05597	24.7
203.07246	2.9
205.05083	6.0
205.12367	2.9
207.10217	2.8
223.13411	4.3
233.06670	23.8
267.12531	3.4
277.03574	11.7
335.09830	11.2
353.10654	3.0
369.15411	2.4
380.83496	2.0
386.01147	2.0
407.68701	2.0
409.12787	2.3
459.14844	7.8
471.19632	4.1
501.15604	2.9
603.17621	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88215	1.1
57.38381	1.2
59.01380	4.1
60.21051	1.2
60.99313	16.1
61.98837	2.1
77.91706	1.1
78.95918	7.3
87.00883	5.8
88.00412	10.6
88.04036	1.6
88.98810	100.0
89.02443	72.5
93.21991	1.1
102.80846	1.4
144.22342	1.3
148.90991	1.6
152.99585	6.4
171.10336	9.1
174.73051	1.2
229.96031	1.5
295.22662	2.9
307.09744	1.8
431.21982	2.9
449.22632	1.7
603.33466	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	603.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92214	0.6
53.16670	0.7
53.96370	0.6
55.42822	0.6
59.01382	6.9
61.98833	3.5
65.00335	1.1
68.99812	2.6
69.80405	2.1
69.80807	1.3
71.01401	1.7
72.99316	6.8
73.02962	0.8
84.99310	4.1
85.02940	1.1
87.00884	11.2
89.02457	1.5
89.86109	0.6
93.03468	1.3
99.00911	0.9
101.02454	1.2
109.02971	1.1
111.00870	1.7
112.98814	58.3
113.02396	1.0
117.03452	5.6
119.05029	100.0
120.05346	3.8
121.02972	4.8
123.04547	1.0
127.00372	4.0
129.03473	0.9
130.99826	1.1
131.05042	1.1
132.05807	1.7
133.02927	1.3
133.06615	8.1
134.03816	0.8
135.04509	2.8
137.02425	0.9
143.05074	3.4
145.02948	31.8
146.03291	0.9
147.04524	11.5
149.00906	1.1
149.04613	1.0
152.01186	1.1
152.53938	0.8
161.06068	18.2
162.06392	0.9
163.04010	64.0
164.04381	2.5
175.04015	10.8
176.04376	0.7
178.84096	0.7
179.03520	1.1
187.04057	0.9
189.05652	3.2
201.09425	0.8
203.03503	38.2
204.03842	2.1
205.05055	30.0
206.05411	1.5
215.03506	8.6
233.04593	2.3
259.02448	4.2
267.06418	0.9
277.03525	52.4
278.04004	2.3
289.11951	2.5
307.08267	2.0
325.09366	4.5
393.08398	3.1
409.13168	0.8
439.08832	1.1
457.09821	1.0
471.12973	2.7
603.23132	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77425	1.9
52.44222	1.9
57.03426	2.1
58.48679	2.0
59.01377	24.9
61.98823	3.8
70.74191	3.1
70.74523	4.3
71.01374	8.3
73.02930	2.1
85.02924	2.2
89.02455	4.8
91.10056	2.0
97.06574	2.7
98.20576	2.2
101.02461	6.3
109.02943	2.7
112.98801	5.1
113.02452	4.6
121.02966	2.2
123.08180	2.4
124.01691	2.2
125.09713	2.9
134.03732	5.4
135.04536	10.9
137.02432	2.2
138.03369	2.1
148.05309	3.2
149.00891	4.2
149.02388	2.0
150.03229	16.8
151.03989	2.3
161.04547	2.1
163.11382	2.0
165.05576	12.8
171.10321	3.0
177.09225	11.3
179.03378	4.7
185.11795	3.2
189.09195	8.7
191.14412	3.3
203.10764	37.6
209.11824	11.3
213.97607	2.4
237.11282	3.9
245.19107	9.7
253.09270	22.6
263.20184	3.4
289.18121	40.1
307.19153	45.5
308.19400	3.5
326.74356	2.0
340.13245	5.2
355.15506	100.0
356.15689	11.3
399.18292	5.2
543.28320	2.7
559.21716	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	603.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.2
61.98816	4.9
65.00314	0.8
68.99817	1.7
71.01390	3.0
72.99312	5.4
73.02930	1.4
83.01399	1.4
84.99353	1.8
85.02927	1.5
87.00877	17.2
87.01363	1.5
89.02465	1.4
93.03498	1.2
96.96023	4.2
99.00857	1.4
101.02437	1.8
103.00385	2.3
107.04942	0.9
107.39336	0.8
108.02156	2.5
109.02982	1.7
111.00867	1.4
112.55540	0.8
112.98817	38.2
113.02441	1.9
116.92841	1.0
117.03473	8.1
119.05028	100.0
120.05335	3.1
121.02998	4.6
123.04510	1.1
127.00365	3.2
129.03429	1.1
130.99878	3.6
131.05063	1.6
132.05786	0.8
133.02930	1.7
133.06618	6.0
135.04536	3.6
135.55112	0.9
137.02480	0.9
143.05014	3.1
145.02957	39.8
147.04520	11.9
149.00887	2.3
152.01161	5.1
161.06075	11.2
163.04008	82.2
164.04370	2.7
175.04002	9.4
176.04486	1.0
179.03468	1.8
180.82617	0.9
187.04091	1.3
189.05577	2.6
203.03505	33.9
204.03790	1.2
205.05052	23.6
206.05310	0.9
215.03519	7.4
223.13330	1.3
233.04488	2.3
259.02435	3.9
277.03525	36.1
278.03818	2.2
307.08240	8.3
325.09232	11.4
326.09436	1.0
393.08325	2.4
439.08466	1.2
457.09805	10.6
458.09851	1.0
471.12939	28.0
471.19431	1.5
472.13214	2.7
501.23654	1.2
561.25952	1.4
585.22119	1.0
603.22772	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	601.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.0
59.01371	4.4
61.98843	2.9
69.53861	1.3
69.84688	7.8
79.67122	1.3
85.99912	1.4
95.04970	1.3
97.06604	11.2
123.08164	4.5
125.09731	100.0
126.10078	2.5
138.57710	1.3
149.00980	1.5
169.08727	2.1
171.10394	1.5
187.09760	70.6
188.10130	3.0
203.11913	1.4
225.11230	1.8
242.85152	1.4
243.12350	2.3
245.34474	1.5
261.13449	10.6
350.59647	1.2
353.01144	1.2
371.69669	1.6
431.22903	24.2
432.23184	3.1
601.32336	84.1
602.32697	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	601.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74514	0.4
55.01880	1.1
57.03452	2.0
58.00594	3.0
59.01379	58.7
60.01701	0.5
61.98818	0.4
69.03448	0.6
71.01382	50.2
72.01714	0.6
72.99300	3.7
73.02950	2.7
75.00873	0.9
78.95915	0.9
81.03463	0.4
83.01387	5.1
83.05048	0.4
85.02954	9.0
87.00878	15.6
88.01218	0.4
89.02444	49.4
90.02776	0.8
95.01406	3.2
97.02980	1.2
99.00311	0.3
99.00847	2.0
101.02443	25.5
103.56701	0.3
111.00872	0.7
113.02451	25.0
115.04000	0.9
119.03500	21.8
125.02421	1.5
129.01961	0.7
131.03500	3.3
141.01912	1.1
143.03511	8.0
149.04526	1.1
152.99602	0.9
155.03441	0.5
159.03021	0.5
160.13051	0.4
161.04559	8.5
171.10263	0.7
175.74730	0.4
179.05608	20.6
180.05974	0.8
203.05647	0.5
205.19568	0.4
208.84900	0.4
233.22797	0.9
259.20480	0.5
273.22067	0.5
277.21707	100.0
278.22064	8.6
291.23257	6.6
292.23694	0.5
301.21744	1.2
301.73834	0.4
319.22778	3.1
323.09827	12.4
324.10172	0.9
341.10873	39.0
342.11136	2.0
373.23810	0.6
474.00507	0.5
601.32092	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66396	0.6
57.03443	1.7
58.00583	2.2
59.01383	39.3
69.03451	1.6
71.01389	46.2
72.01729	0.6
72.99303	2.7
73.02953	7.7
73.23095	0.6
75.00880	1.8
78.95903	2.8
81.03471	0.9
83.01395	13.0
85.02959	10.8
87.00880	55.4
89.02452	38.1
89.02916	0.5
95.01389	4.3
97.02961	2.3
99.00889	2.0
101.01769	1.2
101.02449	25.7
111.00878	1.0
113.02457	30.7
115.04037	1.3
119.03498	12.4
125.02444	1.9
125.06114	1.2
127.07734	0.7
129.01921	1.9
131.03503	3.5
135.04591	0.8
141.01930	2.9
143.03510	9.1
149.04541	0.9
152.99596	2.2
159.03062	1.2
161.04559	13.9
164.71715	0.6
171.10216	3.1
179.05618	19.5
205.19656	0.7
273.22284	4.0
275.20142	0.8
277.21732	100.0
278.22073	7.8
289.21597	0.8
291.23306	22.8
292.23749	1.9
293.21402	0.8
301.21625	2.3
315.14972	0.8
319.22867	7.7
323.09821	15.2
341.10892	52.8
342.11133	2.9
349.23837	1.2
429.20609	0.9
516.56238	0.9
601.31879	2.1
601.40747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	84.1
61.98828	30.7
69.03455	4.0
71.01382	39.7
72.99320	12.5
73.02564	3.6
73.02956	17.5
73.66129	3.6
83.01396	6.2
84.41951	3.6
85.02958	15.6
87.00911	20.2
88.98772	5.9
89.02460	16.9
92.54050	4.4
95.01403	4.3
96.96002	5.4
97.06599	4.5
99.00909	6.5
101.02457	23.5
103.00361	6.2
109.02991	9.5
112.98827	52.5
113.02467	17.5
116.92896	5.5
117.03486	5.9
119.03508	4.5
119.05073	6.2
123.00903	5.9
125.02433	5.7
127.00417	7.5
133.02968	8.1
134.03755	44.2
135.04570	21.8
136.01648	9.9
136.57654	3.8
137.02411	11.0
143.03444	5.2
145.02937	6.3
147.04529	8.8
149.00940	16.9
149.06021	5.6
150.03249	6.1
151.00417	4.3
151.03990	4.5
152.99600	5.4
160.01680	6.1
161.02502	9.3
161.04572	8.0
163.04080	8.4
171.10327	11.2
178.02737	7.1
179.03517	17.1
193.05086	31.3
199.04021	7.0
201.05496	4.6
201.09285	5.8
209.99640	4.5
211.13509	4.6
233.04541	16.2
243.03018	9.4
253.09053	4.9
253.78810	4.2
255.03040	5.9
271.02548	11.5
280.03656	3.9
283.06088	10.3
287.16516	5.0
295.06116	18.9
296.06549	4.7
299.02014	41.2
300.02631	15.9
307.04626	24.6
309.07632	4.8
327.95547	4.0
338.11548	64.9
348.08627	4.5
353.13931	100.0
353.18066	7.5
354.14233	12.4
358.46622	4.3
371.15018	5.6
416.12823	6.6
453.89359	3.8
469.27512	5.4
504.08783	23.1
515.70490	3.8
541.27765	4.9
556.98615	4.2
557.20721	20.9
557.28320	5.4
559.27460	7.5
601.15533	9.2
601.28247	6.8
601.36493	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	601.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
57.03441	2.7
58.00584	1.5
59.01380	54.2
59.05173	1.3
59.36654	1.5
61.56910	1.4
61.98832	10.2
68.79972	1.4
71.01380	36.3
72.99309	5.4
73.02946	41.6
75.00870	2.4
79.95732	1.6
81.03448	1.6
82.71378	1.4
83.01384	6.6
85.02952	6.8
87.00867	11.2
88.98841	1.6
89.02447	5.2
95.01384	3.1
97.06609	2.3
98.66659	1.4
99.00911	2.5
99.92603	1.3
100.24413	1.3
101.02464	13.7
103.00365	1.9
103.04031	3.4
108.02196	1.7
109.02934	5.0
112.98801	10.7
113.02466	10.1
116.92860	4.0
117.03478	1.6
119.03533	2.4
119.05023	3.9
121.02940	2.1
123.04522	2.0
125.02445	2.1
133.02913	2.2
134.03743	8.8
135.04529	10.4
136.01659	2.2
137.02486	2.2
143.03473	3.4
145.02910	3.3
147.04495	1.7
149.00949	11.7
149.01978	1.9
149.06076	3.7
151.00404	2.3
151.04059	2.9
159.04530	2.0
161.02431	4.3
161.04568	3.7
163.04036	3.5
165.05588	2.1
165.12828	2.3
171.10229	2.3
177.05531	1.4
178.02715	3.1
179.03444	4.7
184.65385	1.4
193.05058	5.4
199.03925	2.9
227.03406	1.9
233.04482	3.4
233.19070	2.2
242.02159	2.5
243.03044	2.4
247.20612	2.3
255.02933	4.4
261.22168	3.9
263.20200	4.8
271.02386	7.1
273.22247	5.8
275.20108	2.3
277.21695	6.1
291.23251	2.7
299.02032	20.7
299.05331	2.8
300.02469	3.5
307.04504	4.0
309.24350	17.8
335.22369	4.1
353.23322	100.0
354.23679	7.4
371.14713	1.6
395.24356	6.3
469.15018	6.1
469.28104	4.5
503.08881	2.1
504.08679	11.7
557.29504	3.3
559.27545	3.8
583.30859	1.6
601.15289	3.2
601.27832	3.0
601.37238	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	601.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28126	0.6
56.07236	0.6
59.01377	30.2
70.58474	0.9
71.01387	5.4
72.84905	0.6
72.99312	0.9
73.02962	1.1
79.05560	1.7
83.01408	0.9
85.02978	2.4
87.00873	0.7
95.01421	1.1
97.02963	1.4
98.20637	0.7
98.82166	0.6
99.00906	0.9
101.02486	2.5
105.07126	1.4
107.05093	0.8
109.02962	0.9
112.98806	0.8
113.02446	1.5
121.03006	1.5
123.00955	1.7
123.04523	8.7
124.01666	3.0
134.03758	2.0
135.04517	14.3
135.05455	0.8
136.01682	1.3
137.02425	1.1
138.03241	0.8
139.04051	2.4
147.04532	2.1
148.05312	0.9
149.00995	1.1
149.02484	2.4
149.06079	21.8
150.03224	24.5
151.03947	0.8
161.02444	0.9
161.06091	1.3
162.03302	1.1
163.04041	2.7
165.05560	15.7
166.05925	0.7
171.10315	2.2
175.07663	1.9
177.05644	1.2
185.06122	1.1
187.07710	2.2
193.08688	9.8
199.07582	0.7
201.09213	8.5
203.05591	1.8
205.08681	5.5
211.13469	1.2
211.86595	0.6
219.10260	31.1
220.10638	2.1
227.54883	0.7
229.03459	3.1
269.08136	0.8
271.06146	1.6
283.06140	0.7
284.06909	1.6
285.07745	2.7
286.08435	6.4
295.06305	0.8
301.10828	5.7
338.11652	2.5
353.13928	26.0
354.14316	1.8
356.12640	0.8
369.13254	1.0
371.14975	100.0
372.15231	9.3
395.15082	1.3
413.16049	1.9
439.13983	9.4
440.14328	1.1
497.18011	2.4
515.19348	4.7
533.20264	19.4
534.20508	1.3
557.20868	1.2
601.09705	1.5
601.19196	26.1
602.19360	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	601.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	15.2
60.75248	2.2
71.01387	7.2
71.73824	2.4
72.99311	2.8
73.02952	2.4
85.02966	4.0
87.00881	7.8
94.33154	2.2
98.19825	6.0
99.04510	4.5
108.69031	2.4
112.98797	3.3
113.02488	3.8
125.02483	2.6
134.03784	3.1
135.04544	5.8
137.83844	2.6
149.00906	11.2
149.06212	2.3
150.03198	3.7
151.89087	2.4
154.52727	2.6
161.02370	3.0
163.04004	2.7
171.10280	4.4
179.03436	2.9
201.05605	5.2
229.70088	3.2
269.04471	5.6
281.52133	2.6
283.06100	14.8
284.06454	2.7
295.06149	30.0
323.09286	3.4
338.11649	49.0
339.11905	3.3
353.13937	100.0
354.14230	7.9
365.22964	3.2
373.79196	2.8
425.23386	5.8
557.20184	18.6
601.31793	5.8
612.53705	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	601.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.3
59.01381	4.7
61.98831	6.4
63.53704	0.5
69.36921	3.1
69.37350	1.9
71.01370	2.9
72.99335	0.8
73.02947	1.1
75.19696	0.5
79.95747	1.4
83.01390	0.7
85.02947	1.0
87.00871	1.5
89.02470	1.4
93.03462	1.3
96.96012	14.6
99.00882	1.9
99.04515	0.7
101.02452	2.1
108.02194	1.2
109.02968	0.6
112.98853	1.0
113.02428	1.0
116.92816	0.7
119.05031	100.0
120.05356	3.5
125.02394	0.9
130.99936	0.6
133.02946	0.9
135.04546	3.5
138.10191	0.5
149.00877	3.6
150.03244	0.8
152.01128	3.4
161.02463	1.1
161.06110	1.1
163.04007	55.4
164.04399	2.5
177.05530	0.7
179.03508	2.2
195.06631	0.8
205.05099	1.2
212.75551	0.6
313.10703	0.9
399.09390	1.0
417.10461	1.0
457.13519	45.8
458.13800	5.0
469.15567	0.7
499.14557	28.6
500.14685	3.3
501.67929	0.6
538.16290	1.3
539.17755	5.9
540.17810	0.8
601.17053	20.7
602.17383	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.3
59.01381	4.7
61.98831	6.4
63.53704	0.5
69.36921	3.1
69.37350	1.9
71.01370	2.9
72.99335	0.8
73.02947	1.1
75.19696	0.5
79.95747	1.4
83.01390	0.7
85.02947	1.0
87.00871	1.5
89.02470	1.4
93.03462	1.3
96.96012	14.6
99.00882	1.9
99.04515	0.7
101.02452	2.1
108.02194	1.2
109.02968	0.6
112.98853	1.0
113.02428	1.0
116.92816	0.7
119.05031	100.0
120.05356	3.5
125.02394	0.9
130.99936	0.6
133.02946	0.9
135.04546	3.5
138.10191	0.5
149.00877	3.6
150.03244	0.8
152.01128	3.4
161.02463	1.1
161.06110	1.1
163.04007	55.4
164.04399	2.5
177.05530	0.7
179.03508	2.2
195.06631	0.8
205.05099	1.2
212.75551	0.6
313.10703	0.9
399.09390	1.0
417.10461	1.0
457.13519	45.8
458.13800	5.0
469.15567	0.7
499.14557	28.6
500.14685	3.3
501.67929	0.6
538.16290	1.3
539.17755	5.9
540.17810	0.8
601.17053	20.7
602.17383	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	599.3203
Annotation	CHEMBL3780056
Peak:m/z	Relative Intensity
63.58936	0.6
70.74385	1.9
78.95908	65.4
82.61360	0.6
96.96968	12.5
101.35061	0.6
145.15559	0.6
150.97914	0.7
152.99600	51.6
171.10179	0.8
179.24088	0.6
223.00142	1.8
241.01193	29.7
283.26437	66.4
284.26761	5.0
315.04871	8.1
419.25522	4.7
599.32043	100.0
600.32428	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	599.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	50.4
61.98825	81.7
71.01374	32.0
76.97166	32.2
79.29556	32.0
108.50116	32.2
109.94517	35.5
120.21805	35.1
171.10184	36.5
202.07513	37.8
209.11801	100.0
281.64194	35.3
289.18149	65.8
307.19287	62.7
313.88983	33.9
336.14526	41.4
358.83246	35.0
363.21082	36.5
469.72321	49.3
474.77921	36.2
487.58505	46.8
597.02136	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.0
61.98829	100.0
69.45168	5.4
75.98966	0.8
78.95918	2.5
79.00188	0.8
98.19910	1.6
101.46848	0.8
121.00555	0.9
135.04524	6.8
152.99562	1.1
171.10190	0.9
267.57953	0.9
277.21671	4.2
293.21021	1.1
379.33328	1.1
600.21320	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	601.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	7.8
59.01370	27.9
61.98834	8.1
69.45243	7.0
69.45641	25.0
71.01388	13.0
72.99315	4.4
73.02982	5.2
82.95420	5.0
83.01373	4.0
85.02973	5.9
87.00886	8.1
89.02438	9.5
89.03580	6.5
96.96023	11.4
98.19850	6.9
98.95595	4.0
99.00878	10.8
101.02450	6.7
108.02160	6.9
109.02953	8.3
111.00931	4.9
112.98814	3.8
113.02452	5.7
116.92852	4.4
119.05013	33.6
123.04562	4.5
124.01718	4.2
125.02464	7.0
132.04164	4.0
135.04520	14.9
137.02484	3.4
138.05656	4.1
145.02991	6.5
146.03705	6.7
147.04504	10.7
148.05309	10.8
149.00896	15.0
149.06073	5.3
149.99559	4.3
150.03253	5.2
151.04025	6.4
152.01163	8.6
160.05238	16.7
161.02415	8.1
161.04565	7.3
161.06020	7.1
162.03218	12.4
162.06905	9.6
163.04005	35.9
163.07639	7.7
163.70976	4.1
165.05566	8.4
168.00659	12.3
169.01166	4.1
172.05281	3.2
173.06093	9.7
174.03226	6.2
175.03961	8.6
175.07629	4.9
176.04842	5.2
177.05571	27.8
179.01443	3.1
179.03471	10.0
182.08272	6.1
184.05205	3.6
185.06213	3.6
187.03992	6.7
188.04729	20.3
189.05554	8.2
190.06355	10.4
191.07117	5.5
193.05020	4.2
195.06660	6.9
201.05551	5.5
201.11296	10.2
202.06339	15.7
202.11682	7.6
203.07127	12.0
204.04286	9.5
205.04970	11.8
206.05984	3.6
207.06531	6.3
214.06288	3.8
216.04233	15.4
217.08656	29.1
219.03087	6.2
219.06587	46.1
221.08102	16.9
231.06567	35.2
233.04582	14.2
233.09233	5.1
235.06190	15.1
242.08229	13.4
245.09357	4.3
249.07620	31.5
250.08260	4.2
251.05600	17.3
265.07263	8.0
273.07718	4.8
280.26416	3.6
287.02106	3.2
287.10498	6.1
291.08810	15.2
293.06696	49.3
293.09933	6.9
309.09775	11.4
335.07803	9.0
353.08759	100.0
354.09027	8.9
398.00281	3.3
398.14001	3.3
457.13632	15.0
469.13339	4.4
601.14679	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87152	0.2
59.01370	0.9
61.98825	1.6
71.01379	0.5
72.99325	0.2
79.95744	5.7
85.02958	0.2
87.00882	0.3
87.95873	0.1
96.96013	100.0
101.02409	0.2
102.36926	0.2
108.02181	0.5
109.02970	0.3
110.97591	0.6
112.98801	0.2
113.02449	0.2
119.05051	0.7
121.03023	0.2
123.04562	0.2
125.02461	0.3
128.56529	0.2
135.04529	0.7
136.01698	0.3
137.02425	0.2
138.05652	0.5
138.97061	0.2
143.24046	0.2
149.00899	0.7
151.04025	0.9
152.01115	0.3
161.06052	1.0
163.03999	0.7
165.05511	0.2
177.01810	0.2
177.05615	0.2
179.03458	0.3
180.06708	0.2
218.05856	0.2
219.02948	0.3
259.01309	0.7
268.07495	0.2
283.09888	0.5
293.03137	0.3
296.06839	1.4
297.07446	0.3
301.11807	0.3
305.11346	0.3
311.09259	2.3
312.09848	0.4
323.12537	0.2
326.11584	2.2
437.09183	2.1
539.34314	0.3
581.23468	0.2
598.36078	0.4
599.14417	43.3
600.14691	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	599.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98835	16.2
62.17993	3.6
66.24465	3.7
71.01385	46.2
71.61546	5.3
73.02955	27.1
76.44843	3.8
78.95902	4.0
83.01430	6.1
85.02960	15.7
87.00891	6.8
88.04893	3.4
89.02458	27.5
95.01413	4.6
96.96015	4.7
99.00878	75.5
101.02433	25.7
112.98798	4.6
113.02460	19.9
125.02426	5.2
131.03506	10.0
135.04544	6.0
138.04605	3.8
140.15079	4.7
143.03503	6.5
149.00902	5.9
149.04538	31.1
161.04538	11.1
171.10286	16.6
179.03484	6.3
183.13918	4.8
191.05614	30.7
203.05585	13.0
209.11867	13.0
233.06516	7.3
381.23013	10.6
440.88928	4.3
513.27185	13.4
555.28094	57.5
556.28503	8.4
599.34576	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	599.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
70.36606	0.2
78.95900	5.0
79.36103	0.3
79.95740	2.7
83.47891	0.3
96.96009	100.0
96.96896	4.8
109.02941	1.2
116.92838	0.3
125.02429	0.5
133.02887	0.3
135.04510	1.5
137.05080	0.3
147.04509	1.1
148.05287	1.0
149.06084	3.0
161.02454	0.5
161.06076	1.5
163.04024	0.6
165.05656	0.3
172.49661	0.2
173.06046	0.6
175.04033	2.2
176.04742	0.5
179.03445	0.3
185.04597	0.3
189.05544	3.5
191.03366	0.3
191.07167	1.5
193.05058	0.5
203.07086	0.4
205.05043	0.9
207.06900	0.4
217.05045	3.5
219.02977	1.1
221.04419	0.5
235.06110	2.2
237.03983	1.2
277.07382	0.4
279.05072	1.5
295.08289	1.2
339.07169	18.3
340.07571	1.0
501.12488	8.7
501.20044	0.4
502.12796	0.7
539.07562	0.4
599.09778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.3
58.02740	0.9
58.02973	10.0
59.01141	0.9
59.01382	10.4
61.98826	6.4
66.03468	1.2
70.82070	2.0
71.01373	2.5
72.00869	0.8
72.12982	0.8
72.97531	1.3
74.00680	0.9
74.02471	19.7
81.04572	1.4
82.02961	2.8
84.04525	0.9
86.02484	8.7
86.06112	1.9
87.00887	1.1
87.05614	3.8
95.01378	1.1
96.04556	1.0
97.04050	2.8
99.00846	1.0
99.05641	18.0
100.00401	2.8
101.02421	1.0
101.07194	3.5
102.05600	3.7
107.06101	1.6
109.04046	3.6
109.07719	1.3
111.05657	2.1
112.04025	2.4
112.98788	2.1
113.02429	1.3
113.03558	0.9
123.05592	1.9
125.03530	3.5
127.05119	2.2
128.03540	59.8
129.03868	1.5
135.04559	1.5
135.05608	5.1
137.07138	1.3
141.06673	2.6
143.04623	77.9
144.04927	1.5
145.06151	3.2
146.04593	6.9
149.02380	1.1
149.07198	1.0
150.03174	2.0
151.05113	1.0
153.06702	4.4
155.04610	0.9
163.04001	1.4
165.05548	2.1
165.12810	1.7
166.09830	2.5
167.04578	3.8
167.08206	3.5
169.06221	1.2
170.03247	1.2
171.04095	1.7
171.10216	4.0
179.04640	16.4
181.06178	1.7
185.05612	2.3
192.07703	1.3
193.08635	1.3
195.06607	1.2
197.05655	3.4
205.99152	0.9
209.11777	2.3
210.08795	17.1
210.95375	0.8
228.09802	2.5
253.09592	0.9
254.07808	47.8
255.07936	2.3
256.11343	2.2
263.18228	1.0
272.08868	100.0
273.09143	4.3
291.19580	2.1
304.06012	1.5
325.18372	3.7
336.18265	1.0
357.55341	0.8
444.01257	0.9
469.24036	4.0
490.48120	0.9
551.23053	2.2
580.26868	3.9
598.27832	36.2
599.27850	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	597.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30214	2.4
54.43755	2.1
58.13381	2.0
59.01380	100.0
61.98827	3.0
70.81601	5.6
71.01391	16.0
72.99354	2.5
78.95923	4.6
79.09196	2.3
85.02995	2.2
87.00896	3.2
89.02454	29.0
101.02448	8.4
108.06739	2.5
113.02402	10.1
119.03519	11.4
131.03506	2.5
136.72871	2.2
152.99652	5.9
160.53130	2.3
161.04608	3.5
179.05614	8.7
195.13853	5.1
223.13403	3.6
231.21420	2.6
275.20139	5.2
277.21759	3.6
281.24826	3.6
293.21216	76.8
294.21616	3.1
318.33932	2.1
406.59167	2.6
535.01532	2.9
597.29578	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	598.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16702	0.5
58.02982	7.1
58.99582	0.4
59.01371	2.1
59.45428	0.4
61.98828	2.4
62.26372	0.4
63.78628	0.7
66.03485	0.8
68.05064	0.5
69.63506	3.0
70.02977	1.1
71.01376	1.3
72.00912	0.9
74.02475	17.3
75.95512	0.4
81.04582	1.1
82.02985	1.8
84.04520	0.6
84.14033	0.4
85.02930	0.6
85.04062	0.4
86.02483	6.9
86.06105	1.2
86.99104	1.3
87.05653	3.3
89.02433	0.5
89.44167	0.5
90.00197	1.4
91.01917	0.5
93.03487	0.4
95.02492	0.5
96.04494	0.5
97.04070	2.2
99.05643	13.2
101.02456	1.1
101.07203	1.8
102.05624	2.1
106.21725	0.5
107.06159	1.4
109.04075	1.6
109.07725	1.0
111.05679	0.9
112.04037	2.0
112.98768	0.8
113.03590	0.7
113.07220	0.5
116.01750	0.7
120.01256	0.7
123.05627	1.6
124.04052	1.0
125.02495	0.4
125.03562	1.9
126.01962	0.5
127.05131	2.5
128.03542	40.4
129.03903	0.6
129.99664	0.5
131.04648	0.6
134.16681	0.4
135.04611	1.0
135.05647	4.7
137.07190	1.2
138.05510	0.5
141.06686	3.2
143.04626	50.3
144.04990	0.5
145.06180	2.0
146.04590	4.6
149.00897	0.6
149.07204	0.5
153.06703	5.0
155.08194	0.4
160.00740	14.8
160.02066	0.8
161.01140	0.6
165.12869	0.6
166.09895	2.3
167.04648	4.0
167.08273	1.9
170.03308	0.7
171.04103	0.5
177.03389	6.2
179.03210	0.7
179.04643	11.7
181.06168	1.4
184.10886	0.9
185.05661	2.6
192.07716	0.6
197.05672	1.8
210.08838	10.6
213.03392	0.5
228.09961	0.7
242.07861	1.3
254.07813	16.9
255.08203	0.6
272.08875	29.0
273.09119	1.1
288.06607	11.2
291.19705	0.6
306.07648	100.0
307.07953	6.0
373.47299	0.5
469.23566	0.8
562.27228	0.5
580.26904	0.7
598.27588	7.3
599.27881	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.328
Annotation	Cyl-2
Peak:m/z	Relative Intensity
52.72694	1.0
55.01871	1.0
57.03442	6.6
57.19987	1.1
58.00599	0.8
59.01384	25.3
61.28322	0.9
61.98823	6.9
65.51587	0.9
66.94252	0.9
67.01907	0.8
69.03455	2.8
71.01382	14.8
71.05011	1.1
72.99312	1.6
73.02953	4.6
83.01387	2.2
83.05022	3.6
85.02946	5.4
87.00859	2.8
89.02458	5.2
93.81026	1.1
96.95995	1.1
97.06573	1.3
98.20647	2.0
99.00897	2.0
101.02433	6.0
109.02916	1.0
109.06631	1.2
111.00945	1.2
111.08158	10.0
112.98802	2.1
113.02448	6.2
119.03569	1.7
119.04980	1.1
121.02935	1.2
123.08154	13.5
128.03554	1.5
134.03709	1.1
135.04543	2.7
137.02382	1.1
137.09732	1.6
143.04634	1.9
149.00926	1.2
156.27611	0.9
157.92776	0.9
161.04517	2.3
163.04028	1.5
163.11288	14.2
163.12546	1.6
165.12852	79.8
166.13222	3.2
171.10284	1.6
179.03436	1.4
181.12303	1.7
183.13914	66.8
184.14182	2.6
189.12798	5.8
191.10777	2.9
192.37790	1.0
197.15475	2.6
207.13899	4.2
209.11865	7.9
227.12918	7.5
258.81168	1.0
259.20718	1.6
306.07666	3.0
331.19336	1.5
349.20123	7.5
350.20477	1.1
465.32037	1.4
553.26727	4.0
597.32837	100.0
598.33148	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	597.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82045	1.0
57.03449	7.4
59.01094	1.7
59.01378	26.6
61.98838	9.8
69.03452	2.3
69.35609	9.9
71.01377	14.2
72.99301	1.5
73.02932	4.5
81.60895	1.0
83.01370	2.6
83.05012	3.0
85.02960	5.1
87.00881	2.6
88.98798	1.5
89.02444	6.1
93.03479	1.3
95.01385	1.4
97.06581	1.4
99.00900	1.9
99.04530	1.3
101.02453	7.2
103.00337	1.2
105.51577	1.1
107.05051	1.3
108.02123	1.2
109.02906	1.2
109.06557	1.2
111.08163	11.3
112.98794	4.3
113.02437	4.6
119.03519	1.4
119.05026	1.4
120.35514	1.1
121.02965	1.6
121.10213	1.0
123.08161	11.8
125.02321	1.0
128.03534	2.7
135.04504	5.3
137.02504	1.3
137.09737	1.3
143.03555	1.2
143.04610	2.7
149.06000	1.5
153.09283	1.0
160.00648	1.2
161.02382	1.0
161.04521	2.7
163.04041	2.1
163.11273	13.2
165.12848	80.9
166.13174	3.0
179.03436	2.1
179.05717	1.3
181.12366	2.0
183.13896	61.0
184.14224	3.5
189.12845	4.0
191.10718	1.7
197.15466	1.8
207.13884	5.0
209.11856	7.3
227.12877	7.8
302.83136	1.1
306.07669	4.2
349.20053	5.9
413.05820	1.0
417.88831	1.2
553.26239	2.3
587.80841	1.2
597.32819	100.0
598.33246	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	597.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
57.03444	6.6
59.01095	1.6
59.01381	26.6
61.98838	13.3
62.74884	1.3
69.03457	3.0
71.01387	18.0
71.61821	1.6
71.99081	1.2
72.99274	2.3
73.02955	6.4
75.00883	1.8
83.01350	1.4
83.05024	1.9
85.02952	7.8
87.00867	4.3
88.98826	1.9
89.02438	5.2
95.01420	2.1
96.96014	1.6
97.02970	1.7
97.06583	1.3
99.00897	3.6
99.05625	1.7
101.02445	8.7
111.08163	9.2
112.98797	4.8
113.02448	9.1
121.02917	2.8
128.03561	2.9
130.99864	1.7
133.02968	2.0
135.04506	4.7
137.02441	1.3
137.09668	2.3
138.22919	1.4
143.03613	1.3
143.04616	4.2
149.00914	2.0
161.02437	2.2
161.04546	4.2
163.03993	2.4
163.11255	1.6
165.12848	69.3
166.13184	1.3
179.03510	2.4
179.07027	1.5
181.12346	2.3
183.13898	59.4
184.14206	2.1
189.12856	11.1
195.14037	1.3
197.15488	3.3
207.13907	3.8
209.11865	8.6
225.15027	1.6
227.12875	9.4
246.94159	1.4
254.08003	1.4
272.08890	1.7
293.16403	1.3
306.07535	7.3
309.24792	1.2
313.53058	1.3
349.20459	1.5
597.32751	100.0
598.33344	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	597.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03439	0.8
58.00594	0.4
59.01381	12.5
61.98831	2.9
70.93597	0.5
71.01383	5.9
72.99310	1.3
73.02943	1.8
74.26761	0.2
75.00860	0.3
81.03460	0.3
83.01374	1.3
85.02958	2.3
86.90682	0.3
87.00881	8.1
89.02444	1.7
95.01380	0.6
96.96016	1.4
99.00867	0.7
101.02448	4.1
103.00351	0.8
108.02210	0.4
108.06001	0.3
111.01973	0.3
112.98804	0.9
113.02449	1.7
119.03521	0.6
119.05008	0.8
121.02934	0.3
125.02396	0.4
130.99846	0.6
133.56320	0.3
135.04498	0.9
149.00951	0.7
149.05974	0.3
150.03218	0.9
152.01132	0.9
155.14418	0.5
163.03981	0.7
165.05556	0.7
177.11198	0.3
185.11839	0.4
195.06581	0.5
229.08755	0.3
255.19662	0.5
257.17664	1.4
283.19186	0.3
285.20743	4.1
296.11609	0.5
303.21753	19.3
304.22076	1.3
345.22858	0.5
418.17770	0.9
435.10995	0.4
447.26138	1.8
462.16800	0.5
465.27011	100.0
466.27402	10.1
494.19492	0.4
522.18683	0.4
537.32526	0.6
597.17853	1.3
597.27783	4.9
597.40485	0.3
598.18585	0.3
598.28046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3043
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
59.01375	8.3
61.98816	5.3
64.51736	1.5
69.52424	1.2
70.27098	2.5
70.27477	3.1
78.95905	69.2
80.96475	1.4
80.96944	1.4
84.65933	1.5
96.49889	1.3
96.96965	10.2
97.23264	1.5
104.07406	1.4
109.02829	1.5
109.13101	1.3
114.98528	1.7
124.33308	1.6
127.48866	1.5
128.01366	1.5
143.25865	1.3
152.99596	99.1
153.99947	2.0
160.22351	1.7
223.00146	8.8
241.01236	27.1
242.82634	1.7
259.02179	2.0
270.04590	1.3
281.24860	73.1
282.25067	4.0
315.04855	17.1
330.36401	1.7
336.89896	1.4
597.30408	100.0
598.30731	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	597.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.4
58.00576	0.6
59.01383	10.1
69.36098	2.2
69.36524	1.1
71.01390	4.6
72.99306	0.9
73.02948	1.2
83.01389	1.0
85.02942	1.8
87.00877	8.8
89.02440	1.5
95.01403	0.5
96.95991	0.8
97.02953	0.5
99.00878	0.5
101.02454	3.0
103.00369	1.0
108.65385	0.4
111.00925	0.5
112.98815	0.7
113.02441	1.6
119.03515	0.7
119.05026	0.4
123.04558	0.6
125.02482	0.9
127.11217	0.4
130.99883	0.5
135.04486	0.7
137.06058	0.4
149.00893	0.9
167.03511	1.0
178.88225	0.3
186.95114	0.3
189.05649	0.4
209.04634	0.8
239.16710	0.3
243.93678	0.3
255.19597	0.4
257.17593	1.4
283.19116	0.6
285.20663	3.2
285.31879	0.3
303.21762	22.0
304.22086	1.3
315.08667	0.5
327.08841	0.4
357.09784	4.1
363.83093	0.3
387.10849	3.3
417.11685	0.7
447.25766	1.3
459.12848	0.8
465.27011	100.0
466.27374	10.0
477.14041	1.0
489.13968	0.5
597.17981	0.6
597.27533	5.4
598.28271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03446	1.0
59.01096	1.2
59.01381	19.3
61.98832	13.3
71.01390	8.6
71.61279	0.5
72.21214	0.6
72.99303	2.0
73.02952	3.1
75.00855	1.0
83.01360	1.2
85.02966	3.6
87.00886	8.8
89.02459	3.1
95.01372	1.4
96.95998	1.4
99.00935	1.0
101.02457	6.1
103.00369	1.2
106.15649	0.6
108.02207	0.7
109.02924	0.9
111.00879	0.9
112.98808	2.8
113.02440	2.7
119.05008	2.0
123.04528	0.6
130.99889	0.7
133.02972	0.6
134.03755	1.3
135.04510	2.4
137.02411	1.1
149.00885	2.0
149.71651	0.5
152.01155	1.3
160.01668	0.7
161.02473	1.0
163.03996	2.4
165.05624	1.0
175.03986	1.3
177.01852	0.8
179.03561	1.6
190.02615	0.5
193.05016	1.1
199.13359	3.8
199.74210	0.6
205.05118	0.7
218.14380	0.5
245.50044	0.6
285.20627	3.8
303.18307	1.1
303.21738	16.5
304.22061	1.1
366.59338	0.6
397.13489	1.4
415.14609	1.2
447.25998	2.0
457.13657	0.9
465.27020	100.0
466.27344	9.4
508.75900	0.6
537.33057	2.6
543.16339	0.6
567.26520	0.8
597.18390	1.0
597.26819	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	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18068	1.6
59.01363	2.5
61.98823	2.4
62.27384	1.7
64.37554	2.2
69.52607	14.0
71.01376	8.0
73.02948	3.7
83.01381	1.7
85.02945	2.6
87.00878	26.8
93.03438	3.1
98.20837	1.7
99.00877	5.2
101.02454	3.1
109.02953	2.6
111.00870	19.1
112.98799	3.9
113.02445	2.2
121.02946	5.6
121.37704	1.8
122.03763	9.6
123.00877	6.1
125.02437	2.0
127.03988	2.3
135.04518	5.1
142.99852	2.9
145.01494	2.0
147.04512	1.9
149.02463	24.1
150.03232	83.5
151.03918	7.1
161.02393	2.8
163.04044	4.5
164.04820	10.8
165.05565	100.0
166.02692	4.8
166.05893	4.0
173.00905	5.7
174.01715	2.9
175.03984	3.4
176.04785	4.3
177.01953	2.7
178.06369	3.0
179.03494	6.9
179.07111	6.5
180.04268	8.6
181.05005	7.1
191.07117	3.1
193.08661	2.4
194.05756	5.8
195.06636	43.8
196.06969	2.6
203.03499	3.4
205.05086	4.2
206.05821	3.4
206.15639	1.9
209.08142	7.8
221.08275	5.2
234.05235	2.1
247.02669	2.7
249.03981	2.4
261.04135	2.5
262.04715	5.1
264.06348	5.8
265.07224	5.9
276.06445	3.8
277.07178	11.5
285.03860	2.0
322.06863	2.5
337.09296	29.7
363.76166	1.9
369.13315	8.5
387.60931	2.0
400.10132	2.3
413.12442	4.3
418.75165	2.0
444.04703	2.1
461.14520	32.6
462.14511	2.8
491.15567	3.6
521.16504	3.1
533.16486	8.2
579.17169	18.6
597.18213	84.5
598.18823	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	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07557	1.1
55.01870	1.2
55.86905	1.3
56.00468	1.1
58.11698	1.5
59.01376	3.9
61.98827	1.9
65.90291	1.6
68.30618	1.2
70.92393	2.4
70.92728	1.7
71.01379	4.4
72.99300	2.4
73.02950	3.1
74.41363	1.4
78.05434	1.4
83.01387	5.0
85.02950	3.8
87.00874	29.1
87.01366	2.7
93.03438	3.1
97.02965	3.4
99.00881	3.6
100.01680	2.4
101.02450	3.2
103.67438	1.4
107.18096	1.5
109.02972	1.7
110.46879	1.4
111.00881	36.5
112.98801	1.8
121.02945	4.5
122.03712	8.8
123.04517	3.7
131.03505	2.2
133.02971	1.5
135.04510	5.0
138.03255	2.2
147.02951	2.2
149.02449	25.5
150.03226	82.0
151.00319	2.1
151.04039	9.9
153.05518	2.3
161.02403	3.0
163.04004	3.3
164.04805	14.0
165.05569	86.8
166.02763	2.7
166.05882	3.4
173.00856	3.3
175.03983	2.3
176.04758	4.3
178.06369	1.8
179.03484	7.1
179.07135	11.3
180.04282	6.5
181.05055	6.8
186.25255	1.6
190.02715	1.8
191.01909	2.0
191.03491	2.9
193.08583	1.7
194.05798	4.7
195.04814	1.7
195.06618	32.1
205.05031	2.6
206.05792	2.5
206.53510	1.4
209.08224	9.0
219.03087	1.9
219.06400	1.6
221.08034	1.6
233.04564	1.7
234.05301	2.9
246.05284	1.7
246.47025	1.3
247.06000	3.1
249.04121	3.7
249.07703	7.0
261.04990	1.6
264.06387	11.7
265.07141	8.0
291.08749	3.5
321.09824	2.6
337.05441	1.6
337.09247	10.8
357.13297	2.6
359.09473	2.1
413.12372	8.1
461.14502	61.3
462.14801	6.1
463.16672	1.5
473.14209	2.4
487.16016	2.4
505.17120	1.8
517.17102	1.8
521.16479	4.5
579.16718	6.6
597.18237	100.0
598.18604	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01383	9.0
61.98816	2.9
65.00320	12.7
69.03466	1.1
71.01392	8.0
72.99289	1.9
73.02948	5.8
76.39028	1.2
83.01391	7.4
85.02972	1.7
87.00874	12.2
89.02435	4.3
93.03461	4.2
99.00890	5.9
100.01653	2.9
101.02428	3.9
103.56397	1.2
107.01378	11.1
107.05048	1.5
108.02193	6.2
109.02909	4.0
111.00909	9.3
112.98808	4.1
113.02529	1.6
119.05030	2.6
121.02941	6.4
122.03168	1.0
122.03747	11.2
123.00877	6.3
123.04517	7.8
124.01653	3.1
125.02429	4.2
131.03484	2.1
133.02930	6.1
135.04530	13.3
136.01700	1.7
137.02408	3.4
137.78571	1.4
138.03226	1.4
142.99814	4.8
145.02968	1.5
147.04517	2.2
149.02444	19.7
149.04546	1.9
149.06100	1.5
150.03226	94.3
151.00368	47.6
151.04002	17.1
152.01167	16.5
153.05511	1.4
159.04469	1.2
161.02406	5.7
163.04005	5.9
164.04773	8.8
165.05568	100.0
166.02655	3.7
166.05858	3.3
169.01393	2.0
173.00891	4.9
173.02333	1.7
174.01640	3.4
174.03145	1.4
175.03990	3.9
176.04724	3.3
177.01926	3.0
178.06349	2.9
178.99886	2.9
179.03532	6.6
179.07095	5.3
180.04272	8.4
181.05017	5.8
183.43655	1.3
189.05534	2.0
190.02762	2.2
191.03502	2.9
191.07085	3.2
193.08693	2.9
194.05783	3.8
195.06619	45.8
199.03963	2.4
199.09724	1.3
201.05511	1.5
203.03490	3.6
204.03947	1.6
205.05048	2.7
206.05803	3.1
209.08162	4.7
219.02998	1.5
221.04274	1.6
221.08116	4.0
230.04214	1.2
234.05344	1.5
241.05019	1.8
246.78180	1.3
247.02501	3.0
247.06136	2.6
249.04175	1.7
249.07681	2.8
261.04013	1.9
262.04788	5.3
264.06314	3.5
265.07086	4.6
276.06424	1.7
277.07077	10.0
285.00864	2.4
285.04019	46.5
286.04288	1.9
303.04974	1.8
337.09290	26.9
338.09592	1.8
417.10410	7.8
418.10809	1.8
445.13550	3.3
461.14514	26.5
462.14728	3.0
471.11691	1.8
473.14075	1.6
521.16321	3.1
533.16595	3.1
579.17499	8.7
597.18500	70.5
598.18854	8.3
615.00214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.4
59.01373	7.5
62.29056	0.8
63.02380	2.0
65.00323	21.9
69.98140	4.3
71.01385	5.7
73.02952	2.8
83.01392	9.1
85.02953	1.8
87.00892	2.8
89.02437	5.2
93.03456	1.2
95.01405	1.4
99.00865	1.8
101.02441	2.6
105.03467	0.9
107.01385	28.4
108.02158	1.9
109.02959	2.0
111.00860	1.6
111.12424	1.0
113.02455	1.3
119.05038	1.4
121.02973	3.2
121.47719	0.9
122.03733	3.4
123.00892	1.4
123.04541	12.2
124.01677	2.1
125.02454	11.4
133.02945	5.5
135.04521	9.5
145.02922	1.2
147.04530	1.0
149.02403	5.4
149.04582	1.8
150.03221	19.1
151.00372	100.0
151.03995	17.2
152.01167	6.0
152.04408	1.1
159.04512	1.3
161.02451	1.9
163.04031	1.5
164.04739	1.0
165.05562	15.3
165.06870	1.3
166.02660	1.1
169.01422	3.3
171.04533	1.2
171.71925	0.7
173.00964	1.4
174.01724	1.1
175.03995	3.3
177.01857	2.2
177.05513	1.1
178.99847	6.3
179.03452	2.1
179.07268	0.7
180.04271	1.7
185.06053	1.2
189.05490	1.2
191.03557	1.6
193.04988	0.9
193.28395	0.9
195.06598	8.3
197.04526	1.2
197.06169	1.2
198.03214	1.1
199.03979	6.2
199.09929	1.4
201.01971	0.9
201.35214	0.8
203.03427	1.8
205.05038	1.2
211.04051	0.9
213.05640	0.9
215.03546	1.8
217.05101	1.2
219.02888	1.1
221.08333	1.0
229.05038	1.0
237.03995	0.9
241.05083	4.5
243.02773	1.3
257.04626	4.4
259.06091	1.0
264.06522	0.9
267.02823	0.9
277.06854	1.2
280.61798	0.9
285.04041	96.6
286.04398	5.4
303.05090	2.2
311.10550	1.3
327.12421	0.8
327.31033	0.8
337.09360	4.7
359.09802	0.9
445.13385	5.6
461.14505	4.7
471.11401	4.0
487.10785	1.0
579.04004	0.8
579.16620	1.2
597.14325	33.8
598.14349	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	595.2886
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
69.49857	5.0
78.95901	69.1
96.96957	13.8
117.30875	0.7
150.98050	1.0
152.99583	100.0
153.99963	1.4
171.00615	2.1
216.00458	0.9
223.00117	9.7
241.01163	25.2
259.02371	1.7
279.23279	62.9
280.23642	5.5
315.04840	19.5
315.08389	1.5
333.05740	1.5
469.35489	0.8
595.28876	96.3
596.29425	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	595.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
58.00595	0.9
59.01083	1.2
59.01380	14.3
61.98830	5.9
66.72769	0.9
71.01372	5.8
72.99294	1.4
73.02940	2.3
83.01408	1.1
83.05032	3.1
85.02921	2.2
87.00871	2.5
89.02425	0.8
95.01387	0.7
97.06594	0.8
98.20617	2.2
101.02446	8.5
109.02944	0.7
111.08138	2.2
112.98798	3.5
113.02435	1.7
121.02977	1.8
133.02910	1.8
135.04523	2.2
135.29758	0.8
153.10654	0.8
161.02420	1.7
161.04520	2.2
163.04094	1.3
165.12846	32.6
166.13174	1.6
167.14488	1.1
177.01933	1.2
179.03511	2.2
183.13895	91.9
184.14192	3.5
194.05829	2.3
195.13914	1.4
197.15471	13.9
197.91788	0.7
207.13882	6.0
209.08171	4.2
209.11850	8.1
211.13464	1.2
223.13182	0.8
225.14941	11.4
227.12880	100.0
228.13200	4.0
251.12946	2.3
269.13919	10.8
282.51361	0.7
299.14960	8.7
329.16049	32.2
330.16605	1.9
371.16733	0.8
389.18170	40.6
390.18509	3.2
391.11752	0.9
463.19629	1.4
463.30737	1.1
595.31158	21.2
595.38666	1.7
596.31677	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	595.2889
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01372	0.6
64.71252	0.5
69.45232	2.2
69.45656	2.6
73.31303	0.6
73.44824	0.6
78.95905	63.8
84.01184	0.6
96.96962	13.1
134.98540	0.7
150.98009	1.2
152.99591	54.9
174.59543	0.6
223.00092	1.4
227.82440	0.7
241.01184	29.7
242.01492	1.0
259.02298	1.2
279.23282	64.5
280.23636	4.4
314.00003	0.6
315.04868	11.0
398.58517	0.8
415.22601	6.4
473.48691	0.6
489.12659	0.6
595.28894	100.0
596.29236	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	595.2794
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01381	1.3
61.98827	1.4
63.96236	0.8
69.03440	0.5
70.79586	0.3
71.01385	5.8
71.17618	0.6
72.99295	0.5
73.02948	1.6
78.98592	4.9
79.95741	9.6
80.96519	53.8
81.03465	0.6
85.02952	2.8
87.00875	2.9
94.98087	13.3
95.01396	0.5
95.98352	0.4
96.95982	0.8
97.02940	1.3
99.00833	0.5
101.02468	2.9
106.98088	2.5
107.91856	0.4
113.02451	0.5
118.82166	0.4
121.02965	1.6
122.03243	0.4
122.97576	4.7
125.02459	2.1
127.03977	0.9
134.97598	3.6
136.99176	1.0
146.97585	0.7
148.66811	0.4
148.99142	5.7
152.98647	6.5
161.26302	0.3
164.98618	9.0
182.99640	1.8
193.01575	0.4
195.13893	0.8
206.99634	3.1
209.04562	0.4
210.04918	0.7
219.47070	0.4
225.00749	17.0
225.02982	0.8
227.81934	0.4
243.01822	1.0
277.21460	0.5
295.22775	1.4
299.04413	2.4
371.85287	0.4
560.05719	0.4
595.27899	100.0
596.28229	12.8
596.38037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35427	0.5
59.01379	1.5
61.98832	1.3
62.66446	0.5
68.81230	0.5
69.03429	0.6
69.41759	1.2
69.42162	3.5
71.01381	5.4
72.39960	0.6
72.99307	0.6
73.02935	0.6
78.98586	3.8
79.95734	8.8
80.96523	51.9
81.03435	0.6
85.02951	1.9
87.00897	2.7
94.98092	12.5
96.76603	0.6
96.96012	0.9
97.02974	1.3
98.20646	1.2
101.02436	2.2
106.98093	2.3
108.49299	0.6
109.52551	0.5
112.98821	0.7
117.49819	0.5
118.05208	0.5
122.97595	4.5
125.02440	2.2
127.04018	0.9
134.97598	3.4
136.99146	1.1
148.99129	4.4
152.98634	6.5
164.98642	9.0
182.99706	2.1
195.14044	0.6
205.88158	0.6
206.99669	2.1
225.00755	15.8
226.01157	0.6
240.11620	0.6
243.01785	1.5
277.21695	0.6
295.22842	1.0
299.04507	1.6
312.61166	0.6
339.27890	0.5
595.27936	100.0
596.28375	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	595.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80743	1.2
57.03446	1.1
59.01384	33.6
60.01701	1.2
61.98835	18.4
64.68721	1.1
66.22151	1.1
68.99816	1.5
71.00198	3.1
71.01387	3.7
72.99304	5.1
83.01289	1.2
84.99314	2.1
85.02931	1.3
87.00883	24.7
95.05005	2.1
101.02408	2.7
103.00393	8.5
105.01941	3.6
105.03451	2.7
107.05037	1.8
109.02941	7.7
111.00880	2.0
112.98824	26.9
113.02470	1.2
121.02956	2.5
127.00401	8.3
129.40891	1.2
130.99849	6.2
133.02953	36.8
134.03766	17.1
135.04530	100.0
136.04903	3.0
137.02446	13.4
139.00357	4.2
139.04045	1.1
145.02925	1.6
147.04495	1.7
149.00909	22.3
150.01466	1.1
150.03166	1.9
152.22820	1.2
154.99854	1.4
159.04536	2.6
161.02455	24.5
163.04056	8.5
165.12869	6.0
167.72240	1.4
173.02455	1.3
175.04012	1.6
177.00478	1.8
177.01941	31.9
177.05386	2.4
178.02701	25.5
179.03494	73.8
180.03906	1.9
183.13901	82.1
184.14195	3.6
191.03568	6.1
193.05006	1.2
207.13760	1.8
209.11716	2.3
211.13451	2.4
219.02966	34.5
220.03346	1.7
227.12917	4.8
231.02924	7.5
251.12859	2.4
270.05270	4.4
275.01721	2.6
285.07767	7.7
293.03024	47.2
294.03220	3.5
301.16565	81.0
302.16873	7.5
327.15945	2.0
405.40112	1.3
419.20578	3.3
433.17084	27.6
434.17145	2.0
463.19772	22.3
464.20309	1.6
489.13925	2.4
527.09784	1.2
562.99518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1665
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.54103	1.2
59.01373	14.0
61.98820	3.9
69.03443	1.9
71.01383	5.2
72.99319	1.9
73.02950	1.5
75.00864	2.3
79.01897	2.9
83.01373	6.4
85.02943	2.9
87.00875	7.6
89.02431	1.7
93.03454	7.3
95.01401	1.5
95.05052	1.7
97.02929	5.4
101.02445	2.1
103.00381	2.7
107.01398	8.3
109.02937	4.5
111.04504	2.5
112.98845	2.3
113.02460	2.3
113.03593	2.1
117.03459	3.4
119.05023	47.9
121.02960	6.9
123.00916	2.3
123.04508	6.7
125.02422	5.8
131.04602	8.5
133.02919	2.9
134.03720	5.1
135.04564	9.0
136.01703	1.8
137.02457	9.7
139.03998	8.2
143.05008	6.6
145.02960	8.4
147.04521	3.4
149.00938	4.4
149.02368	7.1
149.06075	3.7
150.03214	5.5
151.00342	6.3
151.03969	3.0
153.01889	1.7
161.02463	1.6
163.00371	3.9
163.04016	7.7
165.01895	6.9
165.05574	3.4
167.03545	11.5
175.04028	2.9
177.01965	7.9
177.05550	2.2
178.02692	5.3
179.03435	4.9
181.05016	1.7
187.04033	6.3
189.01920	1.6
191.03456	4.7
193.01434	10.4
193.05040	17.7
197.04538	4.0
199.07639	2.4
203.03362	1.8
205.01497	8.6
206.02113	1.9
207.02957	5.1
209.04509	4.9
219.02971	4.2
221.04407	1.8
223.02513	2.0
225.51086	1.9
227.07098	1.5
233.04564	1.5
235.02451	17.6
239.05504	3.1
247.02490	2.2
249.04013	3.2
259.20612	1.5
265.03540	6.7
267.06577	1.8
271.06061	4.9
283.06180	3.1
283.09723	2.0
313.07132	23.7
325.07135	7.9
327.08389	2.0
343.08173	8.4
355.08206	100.0
356.08380	7.3
367.08353	3.3
369.09775	2.3
380.95877	1.6
385.09299	83.7
386.09534	7.7
397.09088	4.8
415.10266	22.1
416.10693	2.1
427.10208	2.8
439.09970	1.8
457.11206	9.7
463.16312	12.3
475.12411	42.5
476.12677	3.7
487.12430	5.8
505.13617	12.4
535.24365	1.6
577.15717	5.6
595.16632	92.9
596.16980	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	594.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21363	0.4
58.24914	0.4
59.01369	0.5
61.98833	100.0
69.68723	0.4
71.62158	0.8
80.96532	2.0
94.98086	0.7
121.02966	0.6
172.11908	0.4
173.65161	0.4
205.29085	0.4
211.04140	0.4
224.94887	0.5
284.33279	0.4
594.26721	2.7
595.27783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62777	1.6
61.98832	100.0
66.65884	1.7
70.84595	2.0
70.84926	4.0
71.98371	1.8
79.75983	1.8
95.81322	2.0
163.11311	3.0
167.56255	1.7
179.10783	7.4
191.10849	2.9
195.51569	1.8
200.70329	1.6
329.51251	2.1
355.22809	22.0
453.01376	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.49909	3.3
69.50319	2.1
98.20621	1.5
105.66447	0.7
108.68289	0.9
135.04562	3.2
156.67159	0.7
163.11351	2.4
177.09265	2.1
241.43556	0.8
288.86017	0.7
298.15677	1.0
311.16586	1.1
354.22031	1.9
355.22864	4.2
448.36087	0.8
474.27774	7.8
516.32660	2.7
531.35101	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	595.1305
Annotation	Peltatoside
Peak:m/z	Relative Intensity
59.01379	3.1
61.98827	1.0
65.00338	1.9
71.01392	1.6
71.62477	0.5
73.02944	0.7
83.01402	1.7
87.00880	0.6
89.02456	0.9
92.79980	0.4
93.03404	0.5
96.96013	0.8
101.02468	1.3
103.00413	0.5
107.01387	3.5
108.02199	1.7
109.02976	1.5
112.98772	0.5
113.02445	0.7
121.02968	2.4
123.04482	0.4
124.01609	0.8
127.07728	0.4
133.02998	0.5
135.00877	1.2
135.04497	3.0
137.02440	0.7
139.04018	0.5
145.02977	0.5
148.01712	1.5
151.00380	14.5
151.01559	1.0
152.01111	0.6
153.92378	0.4
159.04544	0.6
160.27858	0.4
161.02419	0.8
163.00403	2.7
163.03995	0.8
165.81383	0.4
169.01411	0.6
174.03149	0.5
175.02536	0.6
175.04047	0.5
178.99863	7.0
179.03479	0.9
179.93980	0.5
183.04619	0.5
185.02609	0.6
190.99896	0.5
192.00705	0.5
194.23543	0.4
199.03946	1.0
200.65154	0.5
201.05586	0.7
203.03514	0.7
211.04045	0.9
215.03575	0.5
216.04314	0.7
226.02679	1.5
227.03459	3.0
227.07195	0.5
228.21989	0.5
229.05074	0.9
239.03444	0.7
243.02968	12.6
244.03413	1.0
245.04465	0.8
254.02258	1.9
255.02982	28.3
256.03387	2.1
271.02469	58.8
272.02957	5.4
273.04086	1.4
283.02386	1.2
299.02142	1.2
299.05658	0.6
300.02750	97.8
301.03458	43.3
302.03772	1.7
316.63232	0.5
343.04645	1.7
364.48087	0.5
373.12012	0.6
433.07581	0.6
463.08560	0.9
463.25482	0.8
595.13013	100.0
596.13336	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	594.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57810	0.4
55.01065	0.3
59.01374	1.3
61.98832	100.0
70.18429	0.6
70.18776	1.5
71.01363	0.7
72.99311	0.5
80.36299	0.4
87.00894	0.9
88.98840	0.5
89.02468	0.5
91.19476	0.4
91.82166	0.4
101.02441	0.6
105.01935	0.5
107.51582	0.4
109.02965	1.1
111.00902	1.2
113.02486	1.0
115.00385	1.8
115.75777	0.3
116.92844	0.5
119.05061	0.9
125.02454	0.5
135.04538	1.4
139.00400	1.2
149.00905	0.7
149.02478	0.6
156.00682	1.6
157.01418	2.4
161.02457	0.5
165.05542	0.4
174.01703	0.8
175.02490	2.7
176.10089	0.4
179.03481	0.5
189.01942	0.4
191.03636	0.5
193.05063	1.8
207.06654	1.6
210.07645	0.9
233.04662	1.2
234.05391	1.5
267.66501	0.5
279.05267	0.4
289.07190	0.8
307.08218	12.0
308.08585	0.9
372.12930	0.7
469.13470	6.2
470.13904	0.5
471.11469	2.2
473.16675	0.7
486.90857	0.4
513.12573	3.0
514.12823	0.5
583.57385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.7
60.01727	0.6
60.67890	0.4
61.98823	1.9
70.03193	1.9
70.03564	0.9
71.01383	1.8
72.99303	0.9
73.02943	0.8
78.95924	0.4
85.02963	0.7
86.02479	7.0
87.00888	1.9
87.67467	0.4
88.04043	2.1
88.98806	0.4
89.02477	1.1
90.05766	0.4
91.05559	1.0
91.48553	0.5
96.96026	0.8
99.00917	0.6
101.02451	0.8
103.00363	0.5
107.05038	4.6
109.02959	6.4
113.02476	0.8
114.05574	0.6
117.03484	0.9
119.05035	1.7
120.01259	1.8
121.02967	1.3
122.03746	6.8
123.04529	10.5
131.04947	0.5
133.02974	0.7
133.06641	1.2
134.03738	2.0
135.04530	51.3
136.04846	2.2
137.02441	2.6
148.07684	1.5
149.00951	3.2
149.04774	0.4
149.06087	1.4
150.05646	0.9
151.01425	0.6
151.04062	0.5
154.02751	1.2
161.02463	1.1
163.03989	1.0
164.07162	1.4
166.08760	0.8
177.01828	0.6
177.05511	1.1
179.03506	42.0
180.03867	1.8
193.05099	0.5
203.03522	0.9
208.09547	0.6
209.10097	0.6
210.07724	100.0
211.08084	3.9
219.03091	0.9
269.10440	0.6
293.03119	1.2
311.04117	0.9
355.08313	1.4
362.10095	0.5
372.12985	68.3
373.13379	5.3
385.08813	0.7
414.14044	1.6
430.86258	0.5
432.05911	1.1
454.50430	0.5
475.12592	0.9
594.16583	1.1
595.16833	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92131	1.8
59.01380	100.0
61.98843	13.4
69.28116	2.8
69.28518	17.0
71.01396	13.0
73.02941	3.5
83.01392	2.3
84.60270	1.9
85.02962	5.9
87.00877	6.4
89.02440	4.5
96.95975	1.8
99.00875	2.3
101.02434	7.2
103.00381	2.2
108.59866	2.0
112.98807	5.3
113.02462	8.7
118.98931	1.8
119.03577	1.9
119.05018	3.7
135.04498	4.6
154.57317	2.2
161.04527	3.6
214.97424	1.8
285.04108	4.6
293.02484	1.8
331.11810	5.1
345.30066	4.0
489.34338	29.5
490.34775	3.5
507.35309	8.2
593.15009	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	593.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.2
58.00592	1.4
59.01383	100.0
60.01708	1.3
61.98831	11.1
67.90871	0.9
69.03478	1.0
71.01385	15.2
71.61727	1.9
72.99296	2.6
73.02946	5.6
73.74796	1.0
75.00887	1.1
83.01398	5.1
85.02957	8.2
87.00887	4.4
88.98784	1.2
89.02438	3.2
93.03445	1.2
95.01400	2.2
97.02963	1.1
99.00890	2.8
101.02454	11.9
112.98820	7.3
113.02451	8.6
121.02969	1.8
133.02933	1.7
135.04506	5.4
143.03438	1.2
149.00949	1.8
161.02484	1.6
161.04492	3.5
165.05501	1.1
175.03961	1.1
179.03447	2.6
200.77373	1.0
221.06342	1.1
278.87128	1.2
285.03989	5.0
299.26074	1.8
300.02850	1.4
345.30011	5.3
371.27786	1.4
443.85852	1.1
461.28711	2.1
478.25281	1.1
488.32336	1.1
489.34329	45.9
490.34653	5.1
507.35400	18.8
533.33905	5.6
549.36243	2.4
593.13995	2.3
593.36261	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29781	0.7
59.01363	1.2
62.05590	0.7
78.95906	71.3
93.39660	0.7
96.96970	13.6
106.75442	0.7
118.24700	0.7
118.77559	0.7
121.15259	0.7
150.98015	1.7
152.99597	100.0
153.99940	1.3
171.00658	3.0
181.76991	0.7
221.59549	0.8
223.00157	10.4
241.01181	26.3
242.01515	1.3
259.02182	1.5
260.32980	0.7
277.21722	50.2
278.21948	3.7
315.04868	17.7
333.05997	1.4
593.27301	86.4
594.27582	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10559	0.6
59.01380	1.2
61.98816	0.8
63.75623	0.5
65.76066	0.5
69.38708	3.1
69.39120	1.6
71.01383	0.6
78.95902	77.6
80.94091	0.5
91.28039	0.6
96.96959	16.2
119.35150	0.5
134.98570	0.7
150.98051	1.5
152.99590	62.1
153.99878	0.7
159.71251	0.5
171.00705	0.7
184.09378	0.6
223.00079	1.9
233.22566	0.6
241.01193	33.8
242.01471	1.1
259.20691	0.7
277.21710	52.6
278.21967	3.9
285.04053	1.0
315.04880	11.6
413.20966	6.7
418.10501	0.6
453.87668	0.6
487.97659	0.7
593.27264	100.0
594.27600	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	593.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56825	0.6
55.66807	0.5
59.01369	1.5
60.05085	0.5
75.48584	0.5
78.95902	66.3
96.96964	12.1
98.20626	1.4
113.53551	0.5
138.97733	0.7
142.38524	0.7
150.25508	0.5
150.98021	1.5
152.99585	100.0
153.99892	1.1
165.14362	0.6
171.00664	2.9
223.00102	11.1
223.02306	0.8
241.01190	26.4
242.01630	0.8
259.02228	2.4
259.20587	0.8
277.21710	47.3
278.22046	3.3
292.06195	0.6
315.04877	17.2
316.05133	0.8
326.89908	0.6
333.05814	1.0
558.34973	0.6
593.27289	89.4
594.27692	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	593.2637
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.01595	0.5
59.01393	2.7
61.98809	1.5
63.96243	0.9
63.99574	0.5
69.03461	0.6
71.01389	4.7
73.02940	1.3
78.98598	4.7
79.95745	28.4
80.96523	47.3
82.33399	0.6
85.02935	2.7
87.00882	2.3
94.98088	10.2
95.01397	0.6
96.96000	1.5
97.02939	2.1
97.19788	0.5
99.00895	0.7
99.04567	0.6
101.02442	1.7
106.98085	2.2
112.98858	0.7
116.67892	0.5
121.02919	0.6
122.97589	4.7
125.02472	2.5
134.97595	3.1
136.99146	1.1
148.99168	4.9
152.98648	6.2
164.98656	6.7
167.17844	0.5
170.64259	0.6
179.00159	0.6
182.99699	2.0
195.13840	0.6
202.32561	0.5
203.12209	0.5
206.99673	2.6
225.00749	16.4
230.15120	0.6
241.00150	0.9
243.01816	1.9
285.04004	1.0
293.21173	0.8
299.04462	4.4
371.06387	1.1
385.08240	1.2
399.09610	1.2
413.11295	0.7
441.14383	0.6
455.15802	1.3
481.17691	0.8
495.19022	1.9
592.78760	1.1
593.26385	100.0
593.79858	0.6
594.26617	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
59.01096	0.8
59.01379	14.1
59.95655	0.5
61.98832	13.1
71.01386	5.2
71.63076	0.9
72.99308	1.2
73.02934	2.1
75.00832	0.7
79.05518	0.6
83.01388	0.7
85.02949	2.3
87.00881	3.4
87.04513	0.7
88.98788	1.3
89.02446	2.8
91.01898	2.1
93.03440	0.6
94.45853	0.5
95.01405	0.6
97.02943	0.6
99.00895	1.0
101.02451	2.6
105.07081	1.5
107.05022	1.2
108.02147	1.8
109.02943	2.3
112.98803	3.9
113.02442	2.0
117.03492	0.7
119.03551	0.7
119.05029	1.5
121.02943	2.4
122.03677	0.7
123.04534	13.1
124.01660	1.7
125.02437	1.8
130.99893	0.7
131.03525	0.6
133.02998	1.1
134.03708	1.3
135.04530	17.3
137.02440	2.2
138.03192	0.8
139.04015	2.4
143.03514	0.7
145.02937	1.5
147.04550	3.4
149.00937	2.6
149.02406	1.8
149.06076	18.6
150.03235	17.1
150.06404	1.0
151.03596	1.0
152.01141	1.4
159.04518	1.7
161.02431	1.3
161.06078	4.5
163.03958	4.7
164.04724	0.7
165.05569	10.1
166.05933	0.8
167.03493	20.7
168.03790	1.0
175.04044	0.9
175.07536	1.2
177.05566	1.6
179.03465	2.6
185.56276	0.6
193.05049	0.6
193.08652	1.6
201.09233	1.8
203.03505	1.2
205.04974	0.7
205.08688	1.4
211.09734	9.6
219.10298	3.6
223.09741	4.6
227.03474	1.6
237.11307	28.8
238.11629	1.7
255.02953	2.1
267.06900	0.6
269.04495	1.1
269.08151	1.3
271.06015	1.4
284.03271	2.9
284.06738	1.1
285.04001	5.6
285.07336	0.8
286.08463	5.0
287.09073	1.8
293.02927	0.6
293.08652	0.7
299.09430	0.8
299.18579	0.6
301.10828	3.8
313.10657	2.3
325.14557	2.1
343.15479	0.7
389.16040	100.0
390.16418	9.0
417.19363	2.0
418.19574	0.8
533.20337	2.2
533.33759	2.6
551.20923	1.0
551.33899	0.7
593.13428	3.0
593.22485	13.6
593.34589	4.6
594.13507	0.7
594.22400	1.6
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
55.67319	0.5
57.03448	0.7
59.01385	3.2
59.24196	0.5
61.98836	1.0
63.02404	0.9
65.00330	0.8
68.22690	0.5
69.50558	1.3
69.50978	2.7
72.32304	0.5
74.01797	0.5
75.45679	0.5
83.01366	1.2
87.00885	0.7
89.02446	1.4
91.01878	0.6
93.03461	1.5
98.20570	1.2
101.02468	1.1
107.01365	3.0
108.02155	0.6
109.02940	1.0
117.03466	0.7
119.05041	0.8
123.04575	2.7
125.02456	0.7
131.14732	0.4
132.02165	1.2
133.02960	0.7
135.00856	1.4
135.04543	1.0
137.02417	0.6
143.04962	1.1
146.08241	0.7
147.04486	0.7
148.01692	0.7
149.00888	0.8
149.02304	0.6
149.06047	0.5
151.00374	3.8
152.01114	0.6
153.01956	0.7
157.06644	0.9
159.04501	1.4
161.06036	0.6
162.81981	0.5
163.00375	2.5
164.01172	0.6
166.05269	0.6
169.06570	0.6
171.04460	0.7
175.03996	7.7
177.01874	0.8
179.07228	0.6
183.04509	1.0
185.06085	2.2
187.04018	3.0
189.05595	1.0
193.05083	1.0
195.04498	0.9
197.06018	1.0
199.04059	1.4
211.04024	3.1
213.05577	1.9
219.02994	1.8
223.04039	0.8
227.03503	31.8
228.03877	1.7
229.05067	10.6
230.05472	0.7
237.04056	5.8
239.03549	2.0
240.04250	1.0
241.05023	1.7
255.02980	54.8
256.03516	7.0
257.04556	7.4
267.03003	1.5
283.02582	0.8
284.03253	70.3
285.04028	100.0
286.04404	6.7
299.05634	11.2
300.05905	0.9
327.05045	1.2
533.20233	1.3
558.16296	0.5
593.15094	97.7
594.15558	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	593.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	0.4
59.01385	2.9
61.98828	4.9
69.28026	3.2
71.01376	1.7
72.99304	0.4
73.02926	0.5
74.02476	0.4
78.53025	0.3
83.01368	0.4
85.02975	0.6
87.00880	0.9
89.02428	0.5
91.97108	0.4
93.03483	0.8
96.96004	1.1
98.20616	0.8
99.05677	0.5
101.02430	0.9
104.36823	0.3
104.94898	0.3
108.02169	0.8
109.02946	1.1
112.98830	0.5
113.02427	0.7
115.98263	0.3
119.05021	0.7
121.02964	3.7
122.03867	0.3
123.04497	0.6
128.03535	0.5
133.02995	0.6
134.03752	0.7
135.04555	1.6
136.05376	0.5
137.02441	1.3
139.00432	0.8
143.04657	1.0
145.02946	1.7
147.04565	1.9
149.00935	0.9
150.03171	0.3
151.03946	0.4
152.01144	1.0
152.04852	0.4
153.01950	1.0
154.02660	0.4
161.02428	0.8
161.06093	0.7
163.04022	4.7
164.04535	0.4
165.01936	1.0
167.03520	1.5
168.04176	0.4
171.08044	0.3
173.02507	0.6
173.06113	0.5
174.03233	2.7
175.04004	14.1
176.04797	3.4
177.05643	1.6
179.03500	1.7
180.04277	8.4
181.04918	0.5
188.04779	2.8
189.05576	5.9
190.02739	0.7
190.06352	20.1
191.03496	0.6
191.07127	12.9
192.04294	0.6
192.07526	0.7
193.05054	8.8
194.05820	4.9
203.07132	1.8
205.08688	18.7
206.05760	0.4
206.09026	0.8
207.06621	4.6
208.07396	15.2
209.07848	0.4
222.08994	1.8
223.09674	1.3
255.02902	0.6
272.08823	0.9
284.03259	1.3
285.04044	4.7
286.04230	0.5
299.05530	2.0
338.90634	0.3
344.12662	3.4
345.13004	0.5
359.14984	100.0
360.15375	9.6
371.24533	0.6
389.16116	1.7
389.25394	0.4
444.31454	0.4
533.27191	0.5
593.15076	4.4
593.24823	0.6
593.32776	0.7
594.15796	0.7
594.26349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69087	0.7
55.01870	1.6
57.03437	1.7
58.00602	1.7
59.01381	100.0
60.01719	1.2
61.98832	7.8
69.03443	2.1
71.01383	47.9
71.11218	1.6
72.01727	0.8
72.99308	3.4
73.02949	55.0
75.00893	1.2
83.01395	15.6
85.02956	9.1
87.00877	4.8
89.02438	14.7
95.01415	3.6
96.96021	3.3
97.02975	1.0
99.00909	2.5
99.04493	1.4
101.02446	48.7
108.02200	1.1
109.02971	2.8
112.98825	2.5
113.02454	26.1
117.03436	0.8
119.03495	7.2
119.05026	1.9
121.02961	2.6
123.00943	0.9
125.02460	3.3
131.03517	4.1
133.02988	1.7
134.03755	1.3
135.04535	4.2
137.02444	2.3
138.03101	1.3
143.03508	5.4
145.02954	1.9
149.00945	1.4
149.04543	4.9
149.06017	0.8
151.00325	1.3
152.01202	1.5
152.04817	1.4
153.01912	0.8
153.05643	1.4
155.03534	1.6
158.03659	1.4
159.04520	2.5
161.02428	2.4
161.04562	12.3
161.05869	1.6
163.04001	1.2
164.04765	1.2
167.03329	1.2
173.06070	3.6
175.03983	6.4
177.05565	4.3
179.03519	2.4
179.05640	2.9
179.07100	1.6
180.04286	1.1
187.03987	6.7
189.05612	1.5
190.02763	1.3
190.06308	4.4
191.03500	1.1
191.07100	1.4
192.04185	0.9
202.06401	2.7
203.05539	1.5
203.07278	1.2
204.04347	1.6
205.05002	7.6
205.08647	1.8
219.02986	1.3
219.06700	2.7
220.07404	8.9
221.06670	0.9
230.66896	0.8
235.09749	10.2
268.07324	1.0
269.04581	1.6
283.09747	1.6
284.03232	5.0
285.04019	10.0
286.04269	2.0
293.03143	0.9
296.06821	1.2
299.05637	4.3
311.09302	12.7
326.11642	5.0
341.10159	2.3
341.13956	5.1
356.12646	2.6
359.14795	2.3
371.14981	67.8
372.15463	5.7
389.15997	1.1
389.25385	1.7
461.24042	2.8
489.30627	1.2
533.20282	10.7
533.28284	1.0
551.21222	1.7
593.14423	5.8
593.23456	2.0
593.32593	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
59.01395	0.8
63.02387	0.9
65.00310	0.7
69.49284	0.6
69.49709	0.6
73.02951	0.2
74.36283	0.2
78.04905	0.1
83.01380	0.7
85.02955	0.2
87.00877	0.2
89.02470	0.3
101.02438	0.2
103.60982	0.2
105.03455	0.3
107.01380	1.8
109.02948	0.6
113.02438	0.2
114.01800	0.2
119.05057	0.2
121.02962	0.4
133.02951	4.0
134.03815	0.2
135.04538	0.5
141.40456	0.2
148.01576	0.2
149.00902	0.2
149.02435	1.3
151.00363	3.2
169.01471	0.3
171.04553	0.4
173.06067	0.2
174.03377	0.2
175.04007	1.8
177.01924	0.4
185.06090	0.4
187.04013	0.2
189.05511	0.3
197.06071	0.4
198.03203	0.3
199.04021	2.0
200.04617	0.2
201.01950	0.5
211.04022	0.6
213.05504	0.5
215.03520	0.5
217.05067	0.9
227.03506	0.6
229.04955	0.2
240.04305	0.3
241.04997	0.8
243.02954	0.7
255.02989	0.5
256.03784	1.2
257.04434	0.6
267.02985	0.2
269.04343	0.2
283.02563	0.3
284.03259	15.8
285.04037	100.0
286.04382	6.6
286.07654	0.2
297.04120	0.3
299.05478	0.4
313.07745	0.2
316.20633	0.2
327.05087	0.7
486.86966	0.2
593.15088	53.1
594.15466	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	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47902	0.2
59.01384	0.6
61.98837	0.7
69.78754	1.3
71.01378	0.5
72.05450	0.2
73.02965	0.2
77.03966	0.2
79.95735	0.4
80.96524	2.4
85.02931	0.3
91.01888	0.3
94.98087	0.6
95.01395	0.2
98.20634	0.2
102.17863	0.2
108.02216	0.2
111.72227	0.2
119.04980	0.2
120.02174	0.6
121.02956	100.0
122.03290	2.9
136.01672	0.4
148.99071	0.2
152.98636	0.3
159.76631	0.2
164.98674	0.2
165.01935	4.7
165.05579	0.2
179.03476	0.3
180.05818	0.7
181.06602	2.5
197.06104	1.8
207.04456	0.8
207.08188	0.3
209.04552	59.2
210.04869	1.9
223.04074	0.3
225.00822	0.6
225.05591	1.9
257.09680	0.8
257.61194	0.2
285.04019	0.4
296.94522	0.2
301.08673	0.3
313.07080	1.6
357.06088	1.3
373.10751	0.3
383.07819	1.1
401.08795	0.4
417.09729	1.3
505.11456	3.1
506.11673	0.5
549.10321	6.7
550.10773	0.7
593.13098	10.4
593.26471	3.5
594.13324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01382	8.7
59.77528	0.4
61.98828	5.8
69.38818	3.1
71.01384	4.9
72.99301	0.6
73.02948	1.6
74.02465	0.5
83.01397	1.2
83.52600	0.3
85.02959	1.8
87.00868	2.3
88.98802	1.9
89.02434	2.5
90.44361	0.4
91.01861	0.5
92.28322	0.4
93.03481	0.5
95.01428	0.5
96.96002	0.6
97.02940	0.5
98.20592	0.6
101.02451	2.9
107.02908	0.4
108.02174	11.7
108.02890	0.8
109.02976	3.9
112.98809	1.3
113.02434	2.1
117.03455	0.6
119.03495	1.0
119.05022	1.0
121.03005	0.7
122.03706	0.5
123.04521	1.9
124.01626	0.4
125.02481	0.7
128.03532	0.6
131.03610	0.5
133.02931	1.2
134.03734	4.7
135.00882	0.8
135.04543	5.0
136.01711	0.4
137.02441	1.1
143.03537	0.4
143.04605	1.0
145.02945	0.9
147.04440	0.5
148.01701	1.9
149.00940	1.7
149.02409	0.4
149.06099	0.9
150.03249	0.4
151.00371	0.5
151.04005	0.5
152.01152	18.7
153.01843	1.5
158.03789	0.7
159.04405	0.4
160.01663	0.5
161.02463	2.1
161.04607	1.2
163.04025	1.5
167.03487	3.0
175.03969	2.2
176.01183	1.0
177.05672	0.4
178.02858	0.4
179.03505	3.5
180.04222	0.5
181.05209	0.5
188.04764	0.5
189.05559	0.6
190.06416	1.4
190.93665	0.4
191.07112	1.2
193.05060	3.5
194.05777	0.6
195.04575	0.5
195.10217	0.4
199.04005	0.8
200.04817	0.9
203.03581	0.5
205.04932	0.5
205.08723	0.9
208.07434	0.5
211.03976	1.6
212.04750	1.4
223.04048	0.5
227.03470	5.0
228.04175	1.4
239.03525	1.4
240.04256	0.7
255.02957	4.0
256.03760	2.7
267.03052	0.6
268.03760	0.9
272.08896	1.0
283.02493	3.4
283.06128	1.8
284.03244	84.3
285.03787	12.8
299.05591	100.0
300.05923	7.9
306.07678	1.3
307.07819	0.7
359.14990	7.1
371.24438	0.6
389.16290	0.5
389.21301	0.7
389.25827	0.5
399.09338	3.5
417.10391	8.5
418.10867	0.4
533.29492	1.3
551.27307	1.5
593.15076	19.3
593.24457	0.7
593.31281	2.5
594.15131	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	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98831	100.0
69.31241	1.5
80.96527	0.3
83.81275	0.2
87.00886	0.2
91.32119	0.2
120.04646	0.2
124.94044	0.2
139.86105	0.2
230.76469	0.2
281.12808	0.2
285.04269	0.2
365.10117	0.2
375.37326	0.2
421.60193	0.2
592.25330	0.7
593.26532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08921	0.2
59.01367	0.3
61.87743	0.2
61.98831	100.0
69.34418	1.6
80.96518	0.3
95.24986	0.1
120.42903	0.2
134.03886	0.2
153.29356	0.2
170.97937	0.2
205.27489	0.2
307.07233	0.2
518.28949	0.2
518.35999	0.2
526.24738	0.2
592.25818	0.3
593.26141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.64888	0.4
66.44360	0.4
70.63390	0.8
70.63757	0.8
78.95900	0.9
95.86108	0.5
96.96951	0.4
152.99657	0.9
201.13531	0.5
277.21814	1.1
593.27740	1.4
611.97278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76350	0.9
59.01390	1.4
61.98832	100.0
71.01380	1.2
71.62527	1.2
78.95894	3.0
80.96523	2.8
84.33256	0.9
92.64716	1.0
107.05730	0.8
121.02995	1.4
133.42381	0.9
137.66486	1.0
152.01355	1.0
152.99547	1.8
209.04759	1.3
285.04056	2.1
464.83588	1.1
491.98956	1.1
593.14972	1.8
593.26434	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24118	0.1
59.01384	0.5
61.98832	100.0
62.98522	0.1
71.01398	0.4
72.99300	0.2
78.95950	0.2
79.95750	0.4
80.96513	1.3
88.46076	0.1
91.75758	0.1
93.51093	0.1
94.98100	0.2
95.01409	0.1
101.02447	0.1
102.12517	0.1
112.98769	0.2
136.99243	0.1
164.98651	0.3
179.03455	0.1
225.00789	0.3
285.04123	0.3
551.13605	0.1
592.24951	1.4
593.26373	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10990	2.7
59.01384	100.0
63.65397	2.5
69.37698	21.1
71.01386	16.4
73.02950	7.7
74.90316	2.8
83.01369	4.2
85.02962	7.2
89.02450	12.9
98.20644	5.9
99.00881	2.8
101.02444	11.8
112.98790	4.8
113.02463	8.1
116.70816	2.9
135.04483	3.6
149.04532	4.4
161.04509	5.3
293.17227	3.0
343.28534	3.3
347.46719	2.9
435.60651	3.3
487.32843	47.9
488.32800	6.9
505.33777	12.8
531.28192	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	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89172	3.4
57.03444	4.0
59.01378	100.0
61.98820	8.0
68.13613	3.3
69.96687	9.6
71.01386	25.7
72.99303	4.3
73.02954	6.5
79.98906	2.9
85.02946	7.7
87.00893	10.4
89.02446	6.8
98.20614	4.6
101.02467	16.0
112.98837	19.9
113.02460	10.9
125.02455	5.3
135.04529	6.6
137.02513	4.1
141.14293	3.0
143.03500	3.5
149.00967	5.0
149.11244	3.1
150.03191	4.7
155.85818	3.4
161.04556	5.5
177.01831	3.4
211.99791	3.3
387.14252	6.5
406.27142	3.2
459.27075	4.1
487.32480	28.8
488.32971	5.9
505.33673	13.2
591.32928	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	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.3
59.01381	100.0
61.98822	2.6
69.45691	13.8
71.01385	15.3
73.02931	2.6
83.01378	3.0
85.02940	8.0
85.15079	1.4
87.00865	3.7
89.02438	5.0
99.00870	2.2
101.02460	9.7
112.98798	4.4
113.02441	9.2
113.22234	1.6
125.02446	1.9
131.03455	1.6
135.04526	2.1
142.61063	1.8
143.03452	1.8
149.00958	2.2
150.03215	7.2
161.04538	7.5
163.04041	2.1
165.05539	4.8
174.03220	2.1
176.85988	1.9
217.08701	6.3
282.05069	1.9
282.34769	1.5
337.79227	1.8
343.28467	6.9
346.77261	1.9
369.13437	5.8
387.14322	6.6
487.32782	42.4
488.33069	5.7
505.33807	11.4
531.27966	4.8
591.20563	3.2
591.30609	1.6
598.75189	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75260	1.8
57.03452	4.2
58.00598	2.7
59.01381	98.2
61.98829	32.6
63.22095	1.7
69.03432	2.1
71.01385	45.8
71.62550	2.2
72.99319	8.1
73.02950	13.9
75.00867	2.1
81.03452	2.3
83.01397	5.5
83.01933	1.4
85.02949	16.1
87.00875	14.5
88.98811	5.4
89.02446	46.2
93.03452	3.5
95.01376	2.7
97.02942	2.6
97.06561	2.8
98.02458	2.8
98.06113	4.2
99.00884	12.2
99.04521	1.5
101.02448	29.0
103.00319	2.1
108.02191	2.9
109.02954	6.6
112.04112	1.7
112.98804	11.1
113.02452	16.3
118.05106	2.0
119.03519	5.7
119.05026	7.5
121.02967	7.8
123.04480	2.9
124.01664	6.4
125.02426	5.6
130.99881	2.3
131.03503	6.3
133.02979	2.3
134.03740	5.6
135.00861	2.1
135.04553	25.7
137.02446	12.3
138.03236	7.3
139.03983	5.3
142.05009	2.2
143.03453	4.0
145.02953	3.8
147.04501	8.9
148.01633	1.7
149.00954	11.5
149.02422	5.8
149.04549	24.2
149.05946	3.2
150.03235	61.8
151.00293	1.9
151.03929	3.9
152.01141	1.8
152.04668	2.0
153.01933	3.2
159.04494	6.9
161.02394	8.1
161.04538	5.2
161.06007	3.0
163.03986	10.4
164.04773	6.0
165.04156	2.2
165.05571	45.2
173.06133	1.9
174.03215	9.4
175.03973	4.9
175.07713	1.8
177.05571	4.0
178.06364	2.6
179.03455	12.8
179.05704	3.5
179.07170	4.4
187.03963	2.2
187.07576	1.7
188.04758	3.9
189.05542	2.2
189.09293	2.1
190.02733	5.5
190.06352	1.7
191.03658	2.1
191.05626	7.1
191.07195	6.0
193.04987	2.9
199.07610	1.9
201.05583	1.9
202.06412	3.5
203.03488	2.0
203.07124	31.6
203.85437	1.7
205.05096	4.4
205.08670	4.8
209.08203	4.4
217.08691	42.4
219.02994	2.8
220.03687	3.3
221.00894	5.0
221.06320	1.8
221.08182	6.9
229.08664	1.8
229.14723	1.9
235.09773	20.0
241.04997	1.8
251.07704	2.6
265.07306	2.5
269.04483	1.9
271.05804	1.9
282.05093	2.1
283.05975	4.9
284.06677	3.1
293.02985	2.6
296.06964	2.4
297.07684	5.4
311.09213	7.1
313.11050	2.7
326.08246	1.8
327.08722	2.9
350.46494	1.7
354.10944	14.6
355.11530	2.4
369.13416	100.0
370.13599	11.3
387.14490	97.4
388.14969	10.2
399.23560	3.1
411.23633	2.3
429.15573	2.5
459.15744	3.3
489.13791	5.3
505.26651	2.4
531.27496	46.9
532.29016	5.3
547.27533	5.4
549.32629	3.2
573.19580	2.4
591.20258	31.3
591.29333	5.6
592.21106	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	591.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24435	3.0
54.40377	2.8
55.01869	3.1
57.03444	4.0
58.00604	2.7
59.01382	100.0
61.98830	19.4
69.03479	3.2
70.07124	12.5
71.01384	49.1
71.88673	2.4
72.99314	4.3
73.02950	37.3
83.01389	11.0
85.02969	12.6
87.00864	16.6
87.74976	2.8
88.98820	10.5
89.02448	36.8
95.01382	4.3
96.90379	2.6
96.96031	2.6
98.20595	3.1
99.00882	60.5
101.02450	31.6
112.98827	10.9
113.02456	22.5
119.03538	4.7
119.05036	9.1
121.03001	5.8
123.00853	2.5
125.02446	5.8
128.26070	2.6
131.03502	10.6
133.02971	4.3
134.03690	5.1
135.04527	19.9
136.01689	25.6
137.02425	7.3
143.03513	3.4
145.49583	2.8
147.04520	10.5
149.00914	13.3
149.02229	3.4
149.04550	33.5
150.03229	3.2
151.00346	8.9
151.04019	30.0
155.03432	3.2
159.08604	2.9
160.01675	2.6
161.02556	2.9
161.04582	9.1
161.49425	2.6
163.04018	7.6
166.02745	16.5
167.03473	4.6
175.04030	26.5
179.03505	10.8
181.05070	16.1
191.05576	22.3
191.07062	3.2
203.05632	8.4
233.06610	5.8
284.03268	3.3
285.04089	6.8
297.07690	26.9
299.02130	3.9
299.09814	3.0
327.08795	3.7
357.09708	8.4
387.09998	4.9
387.14520	57.8
387.23245	3.2
388.14850	6.1
415.19653	3.3
429.18213	2.9
505.26370	7.6
531.27692	6.8
547.27649	36.3
548.27069	4.4
559.14471	3.9
591.15796	3.8
591.30719	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	591.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
57.03456	1.8
58.00597	2.3
59.01379	100.0
60.01707	0.6
61.98828	0.6
66.95303	0.4
69.03461	0.7
71.01381	53.7
72.01717	0.4
72.99310	3.2
73.02948	9.2
77.58400	0.3
83.01378	4.2
83.24306	0.3
84.02193	0.5
85.02430	0.8
85.02954	15.8
87.00873	4.5
89.02444	36.4
90.02776	0.6
93.03444	1.8
95.01384	4.8
96.05316	0.3
97.02959	0.8
99.00875	2.5
99.92581	0.6
101.02441	26.4
102.02779	0.6
109.02965	0.6
109.57756	0.3
111.00916	0.4
112.01679	0.4
113.02445	35.0
114.02776	0.4
114.20515	0.3
115.04052	0.5
115.92056	0.4
116.92849	2.3
119.03500	16.4
119.04989	2.1
120.01225	0.3
123.04451	0.4
124.01637	1.1
125.02438	1.8
129.01898	0.6
131.03505	2.5
133.02921	0.5
133.05016	0.4
135.04488	1.5
137.09711	1.8
139.00385	0.4
143.03464	5.6
143.04936	1.3
145.02917	0.7
149.00893	2.6
149.04602	1.7
153.01889	0.3
153.09177	0.6
156.77155	0.3
159.02950	1.5
161.02499	0.6
161.04549	11.7
163.03923	1.5
167.79518	0.4
168.00635	0.4
179.03320	0.4
179.05621	8.1
189.12827	0.9
207.13748	0.5
225.14806	0.4
237.09140	0.7
265.08746	1.9
309.07550	0.8
327.05362	0.6
327.08725	7.4
328.08972	0.6
351.17935	0.5
369.19238	4.9
387.20209	3.8
495.20761	0.5
531.24426	35.7
532.24719	3.8
549.25507	24.1
550.25653	2.5
591.18518	0.5
591.27032	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86479	0.9
51.09516	0.7
55.01878	4.8
57.03444	3.7
58.00585	1.9
59.01381	100.0
59.89062	0.9
61.98835	2.5
67.03358	0.8
68.99831	0.8
69.03456	2.4
71.01384	64.9
71.61575	1.6
72.99298	4.2
73.02950	20.1
75.00887	1.8
83.01398	13.2
83.05033	1.0
84.24464	0.9
85.02954	27.4
87.00873	8.2
87.97298	0.8
89.02445	26.0
93.03467	2.8
95.01421	5.3
96.95985	0.9
97.02959	3.1
99.00887	7.8
99.92587	1.5
101.02446	50.5
102.02788	1.1
111.00857	2.0
112.98824	1.6
113.02457	35.8
115.92116	0.9
116.92873	7.4
117.03495	1.0
119.03501	9.2
119.05006	8.3
120.01272	1.0
123.04574	2.1
123.08165	8.6
125.02458	6.8
128.51556	0.8
129.01955	1.1
131.03503	3.9
135.02966	1.6
135.04530	4.2
137.02441	1.2
143.03505	7.0
145.02960	2.5
145.06590	0.8
149.00922	4.8
149.02385	0.8
149.04579	2.4
153.05612	2.5
155.03557	1.3
159.02982	4.4
159.04407	1.1
161.02544	1.1
161.04567	27.9
163.04039	4.3
163.11308	8.2
163.53656	1.0
165.05591	1.3
179.03566	1.8
179.05621	15.7
185.04558	1.3
189.12868	8.6
195.06609	1.0
197.04543	0.9
203.05602	1.3
207.13921	14.0
221.06699	9.5
239.10739	2.1
263.07648	3.7
267.12155	1.0
283.09595	1.0
321.16922	2.0
327.08789	7.4
369.19196	3.6
387.20178	4.2
429.21527	5.3
447.15302	1.6
459.09015	2.1
531.24731	4.0
549.25531	50.9
550.25989	4.7
591.26648	37.2
592.27228	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	591.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85109	0.2
55.01879	0.8
57.03443	1.3
58.00597	1.4
59.01381	100.0
59.97904	0.2
60.01717	0.8
61.98842	0.5
64.03571	0.2
67.01912	0.2
68.99826	0.2
69.03451	0.6
69.92733	0.9
71.01384	33.7
72.01717	0.4
72.99307	2.5
73.02951	7.3
75.00893	0.5
81.03413	0.3
82.43572	0.2
83.01393	2.9
84.02184	0.2
85.02955	9.6
85.38908	0.2
86.77570	0.2
87.00877	2.9
89.02447	21.6
90.02782	0.2
93.03444	0.8
95.01386	3.0
97.02935	0.7
99.00885	1.7
99.04492	0.3
101.02446	18.4
103.00338	0.3
108.02145	0.2
109.02957	0.3
112.98816	0.3
113.02451	20.5
114.02781	0.3
115.03992	0.2
116.92826	0.8
119.03506	8.8
119.04860	1.2
123.04520	0.3
124.01649	0.3
125.02443	1.0
129.01912	0.3
131.03499	1.5
133.02882	0.3
135.04475	0.9
137.09706	0.3
139.00311	0.3
143.02559	0.3
143.03502	3.1
143.04703	0.3
143.05038	0.4
145.02917	0.7
149.00916	4.7
149.04500	1.3
149.05768	0.3
152.01082	0.2
158.86371	0.2
159.02914	0.5
161.02377	0.4
161.04559	8.9
163.04054	1.6
168.00526	0.3
179.03441	0.5
179.05612	5.6
181.08713	0.4
189.12776	0.2
207.01102	0.3
207.13881	0.3
211.07634	0.4
225.14896	0.5
265.08408	0.6
283.09637	0.2
311.63959	0.2
327.08719	5.1
328.08701	0.5
369.19205	1.1
372.28384	0.2
384.11624	0.2
387.19815	0.8
429.13226	0.6
505.13232	0.3
530.49713	0.2
531.24451	20.0
532.24908	2.0
549.25507	7.5
550.25867	0.9
591.17346	0.6
591.25787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.87193	0.3
61.75609	0.3
62.77569	0.3
70.05051	0.4
70.28780	0.7
70.29174	0.7
94.88460	0.3
98.19984	0.5
103.56442	0.4
106.06638	0.6
122.49443	0.4
177.46980	0.3
364.01871	0.4
396.17227	0.6
429.16699	0.4
443.22507	2.6
444.19501	0.7
445.19632	1.0
445.24817	0.7
447.26184	0.4
455.22659	0.7
456.23245	0.6
459.21600	2.2
471.21179	1.4
471.25607	2.0
472.23282	1.8
473.23456	0.8
476.18845	0.5
481.20239	0.5
482.20996	1.3
484.19110	0.5
485.19711	1.9
486.19949	0.7
487.25623	3.1
488.22342	0.4
489.23029	0.8
496.22781	0.4
497.23483	3.6
498.23459	0.6
499.21512	3.3
500.22177	11.5
501.22568	1.2
504.21719	0.5
514.23523	1.1
515.24524	100.0
516.24811	13.9
518.23193	0.9
519.23956	0.6
521.65216	0.4
559.23492	4.5
560.23828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81781	0.9
59.55318	0.6
67.52863	0.6
69.42345	5.8
70.97792	0.7
78.50587	0.8
78.95882	1.3
92.04141	0.7
113.43844	0.7
119.91521	0.6
124.94808	0.8
166.81223	0.7
244.46880	0.9
257.15942	0.9
443.22604	1.7
445.19916	1.4
447.26062	0.8
456.23468	1.0
459.21899	2.1
471.25562	2.6
472.22958	0.8
473.23456	1.0
482.20975	2.0
484.18668	0.9
485.19748	2.0
487.25018	2.5
497.23398	4.3
499.21558	4.3
500.22235	13.1
501.22696	1.3
514.23309	1.1
515.24524	100.0
516.24817	14.9
518.23328	1.6
559.23413	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	591.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	0.6
58.69479	0.5
59.01380	14.2
61.98832	5.4
66.27779	0.5
69.35377	1.6
69.35799	3.7
71.01387	4.5
72.99297	0.9
73.02943	1.5
85.02943	1.7
87.00869	1.5
88.98771	0.8
89.02432	2.7
95.01373	0.6
95.05043	0.6
97.02939	0.7
99.00874	1.5
101.02462	2.6
108.02199	0.7
109.02955	1.7
112.98818	2.6
113.02435	1.6
119.05013	1.5
121.02949	2.9
124.01656	5.3
125.02413	1.1
126.62795	0.6
131.03488	1.1
133.02966	5.2
134.03697	1.0
135.04523	4.5
135.48175	0.5
136.01654	1.6
137.02443	1.2
139.04012	5.0
147.04492	5.3
148.01691	1.0
149.00925	2.0
149.02434	2.4
149.04550	1.6
149.06076	1.5
150.03218	45.1
151.03717	1.5
159.03163	1.1
159.04504	19.3
160.04935	0.9
161.02425	3.4
161.04495	0.5
162.03160	0.6
163.04008	3.0
163.07623	0.6
165.05568	37.6
166.05902	1.2
171.10287	0.8
173.06111	0.9
174.03249	7.1
175.03926	1.0
175.07642	1.9
176.04790	0.6
177.05548	1.4
179.03476	1.4
187.04047	0.7
188.04825	3.0
189.05565	1.5
190.06361	2.3
191.05606	0.8
191.07135	4.6
193.08717	1.1
199.07640	1.5
203.07137	23.8
204.07556	1.0
209.08151	1.0
215.07092	0.6
216.07922	1.8
217.08675	30.1
218.09038	1.2
220.03738	2.0
229.08736	2.8
235.09726	9.7
255.06529	0.6
267.06842	0.7
269.04578	0.9
282.05386	0.9
283.06113	3.9
284.06833	1.6
285.07776	0.7
293.03201	1.0
296.06894	1.7
297.17297	0.6
311.09238	6.4
326.07956	1.8
327.08572	0.9
328.09262	0.8
336.10159	0.7
337.10803	1.7
354.11093	9.5
369.13406	40.6
370.13815	3.8
372.12234	0.6
387.14468	100.0
388.14868	8.3
399.24106	0.6
459.29196	0.6
513.17621	1.8
531.18555	5.7
531.28015	2.0
532.18665	0.7
547.27197	3.3
549.19720	1.3
573.19525	3.3
575.17426	0.6
591.20819	24.5
591.29724	1.0
592.21552	3.1
592.30505	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24730	0.8
52.82789	0.7
57.03446	0.8
59.01380	17.5
61.98829	3.0
68.06700	0.7
70.85695	2.1
71.01379	5.6
72.99304	0.8
73.02940	1.6
75.00861	0.8
83.01422	1.1
85.02951	1.9
86.20110	0.9
87.00873	2.3
88.98823	3.7
89.02440	3.2
93.03524	0.8
95.05032	1.2
96.44737	0.8
101.02440	3.4
109.02959	3.5
112.98788	3.3
113.02479	1.0
119.05014	1.4
121.02982	3.8
123.00854	1.2
123.04543	1.4
124.01662	7.5
125.02443	1.7
131.03481	1.1
133.02968	0.9
134.03796	1.4
134.54918	0.7
135.04555	5.4
136.01668	1.6
137.02475	4.9
139.03981	7.8
145.03004	0.8
147.04550	7.6
147.08096	1.1
148.01639	1.9
149.00935	1.9
149.02438	4.5
149.04517	2.3
150.03224	58.8
151.03796	1.3
159.04517	1.5
161.02425	5.4
162.03201	1.1
163.02705	1.5
163.04018	23.9
165.05573	49.9
166.05907	2.1
171.10216	2.2
173.06100	1.6
174.03244	9.6
175.03920	2.4
175.07654	2.5
177.05553	1.2
179.03552	1.4
187.03992	1.9
188.04790	5.3
189.05566	2.8
190.06328	3.3
191.07175	7.8
195.10291	1.0
199.07707	1.1
201.05562	1.2
201.11354	1.5
203.07141	35.8
204.07498	1.5
209.08167	2.1
216.07919	3.0
217.08694	41.1
218.08974	3.4
220.03758	3.1
229.08702	2.9
229.79410	0.8
235.09770	13.3
248.81740	0.8
255.06599	1.0
257.41888	0.8
265.05289	1.0
267.06708	1.1
269.04395	1.6
283.06082	8.0
284.06778	3.2
285.04468	0.9
299.05313	0.9
311.05850	0.9
311.09311	1.0
315.08759	4.6
326.07864	1.8
337.10773	2.6
339.08603	1.2
354.11075	17.0
355.11258	1.3
369.13416	100.0
370.13663	7.0
387.14502	88.1
388.14896	7.6
429.15494	1.0
531.18634	5.7
531.27875	3.7
542.98291	0.8
549.19788	3.8
587.49603	0.9
591.20782	44.5
592.21307	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	591.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01386	9.9
61.98823	2.0
68.77045	0.5
70.95300	0.4
71.01386	2.4
73.02945	1.0
85.02956	0.8
87.00879	1.4
88.98812	1.1
89.02438	0.9
95.01376	0.7
95.05018	0.8
98.19913	1.2
101.02433	1.1
103.00373	0.4
108.02171	1.3
109.02952	2.1
112.98815	1.6
113.02435	1.2
119.05038	1.4
121.02940	3.9
123.00876	0.9
123.04543	1.0
124.01666	4.3
125.02441	1.6
133.02954	1.0
134.03705	0.7
135.04533	3.2
135.08224	0.6
136.01701	1.1
137.02441	1.8
137.05968	0.5
138.03238	1.7
139.04013	4.2
145.03001	0.6
147.04527	7.2
147.08290	0.5
148.01682	2.4
149.00955	1.7
149.02466	1.9
149.06131	0.6
150.03226	42.3
150.48405	0.4
151.03911	2.2
159.04494	2.6
160.01654	0.7
161.02438	7.0
161.04575	0.5
161.06058	0.8
162.03232	1.0
163.03969	2.5
164.04730	0.8
165.05566	37.1
166.05885	1.3
173.05989	0.9
174.03210	12.4
175.03934	1.8
175.07610	2.0
177.05685	0.8
178.02634	0.5
179.03445	1.8
182.02264	0.6
185.06055	0.6
187.04015	1.6
188.04793	6.3
189.05527	2.8
190.06328	3.6
191.07130	6.9
193.08655	1.1
194.08990	0.6
195.10297	1.5
199.07657	0.7
201.05553	0.9
202.06253	0.7
203.07133	34.2
204.07550	1.7
213.05444	0.6
214.06256	0.7
216.07959	3.0
217.08685	47.7
218.09026	2.7
220.03856	3.5
229.08694	3.9
235.09679	0.8
239.03548	1.0
241.05125	0.6
255.06601	0.4
256.07303	0.5
267.02954	1.4
267.06488	0.8
269.04547	1.4
282.05270	4.3
283.06076	6.6
284.03790	0.5
284.06668	2.9
285.07452	0.9
294.05264	0.8
297.07571	4.1
311.05655	1.1
311.09259	2.6
326.07935	2.2
337.10785	2.4
339.08832	0.9
353.10254	0.6
354.11053	16.8
355.11487	1.4
369.13397	78.4
370.13739	6.4
387.14478	100.0
388.14804	8.8
459.15613	0.8
531.18762	1.3
531.27222	0.6
531.31830	0.5
562.03650	0.5
591.20776	26.2
592.21161	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.5
59.01380	7.5
60.09577	0.5
61.98830	1.3
71.01382	2.0
72.99323	0.5
73.02956	0.4
85.02972	0.9
87.00895	0.6
87.35046	0.4
89.02469	0.7
93.03493	0.4
95.01429	0.6
95.05029	0.6
96.87843	0.5
97.03006	0.5
98.40051	0.4
98.73573	0.4
99.00793	0.4
101.02461	0.8
108.02189	0.5
109.02961	1.8
112.98819	0.8
113.02465	0.7
119.05074	0.6
121.02950	2.7
123.00915	0.7
124.01676	3.6
125.02475	1.1
133.02975	0.5
134.03799	0.8
135.04544	3.0
136.01651	0.9
137.02452	1.4
139.04007	4.2
143.62305	0.5
145.68948	0.4
147.04514	6.1
147.08244	0.6
148.01683	1.6
149.01300	0.6
149.02446	2.9
149.04454	0.5
150.03235	37.9
151.03957	2.1
159.04520	1.6
161.02469	4.3
161.04507	0.4
161.05972	0.5
162.03188	1.3
163.04016	8.4
163.05367	0.6
164.04684	0.7
165.05576	34.0
166.06030	0.9
171.10326	1.3
173.06116	0.7
173.09763	0.5
174.01729	0.6
174.03226	7.5
175.03972	0.9
175.07690	2.0
177.02885	0.5
177.05600	0.9
179.03493	0.6
187.04045	0.8
188.04790	4.2
189.05617	1.9
189.09193	0.6
190.06342	2.5
191.07144	7.0
196.00310	0.5
199.07571	0.5
199.25987	0.4
201.11345	1.4
202.06442	0.8
203.07141	26.0
204.07645	1.5
209.08121	0.6
214.06372	0.8
216.07945	1.5
217.08698	34.9
218.09053	1.8
220.03804	2.1
229.08716	3.6
235.09776	4.5
239.07281	0.7
255.06679	0.6
265.05081	0.6
267.06528	0.5
269.04596	0.8
270.05154	0.6
271.06058	0.7
274.89655	0.5
282.05258	0.5
283.06091	4.1
284.06818	2.4
285.07480	0.7
311.05756	0.8
311.09250	1.3
315.08868	2.0
326.07867	2.4
337.10809	2.5
339.08725	0.5
351.12173	0.6
354.11066	11.3
355.11514	1.4
369.13403	35.9
370.13632	2.7
387.14487	100.0
388.14783	8.1
464.27292	0.5
531.19208	0.6
531.28198	0.5
549.19458	0.8
591.20801	26.4
592.21307	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	591.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.1
60.20921	0.5
61.98830	2.9
69.03457	0.6
69.41042	3.8
69.41453	1.0
71.01379	5.5
73.02955	2.6
83.01389	0.8
85.02959	2.0
87.00889	1.7
88.98817	0.6
89.02449	3.2
93.03460	1.1
95.01376	0.7
97.97902	0.5
99.00864	3.1
101.02412	3.1
108.02163	0.6
109.02956	1.1
112.98818	1.6
113.02445	2.6
119.03526	0.8
119.05037	1.4
121.02930	3.5
122.03729	0.7
123.00869	1.9
125.02450	1.4
133.02959	1.0
134.03789	1.2
135.04546	3.1
136.01665	45.8
137.02466	8.2
139.04037	0.8
143.03461	0.7
147.04555	1.0
149.00902	2.1
149.02504	0.9
149.04539	1.4
151.00404	8.4
151.04008	55.8
152.01131	0.7
152.04593	1.9
159.04471	0.6
160.05304	0.8
161.02423	0.7
161.04533	1.2
163.03999	2.2
165.01933	1.0
165.05547	0.8
166.02708	26.9
167.03407	2.3
175.04021	0.8
177.01956	1.3
177.05667	1.0
179.03517	1.7
179.05621	1.0
181.05070	35.2
182.05359	1.2
187.04015	0.7
189.05544	1.3
191.03508	2.5
191.05464	1.0
191.07144	0.7
193.05099	1.1
203.03526	0.9
203.07309	0.7
205.05016	0.8
205.08829	0.8
207.06624	0.6
297.04089	2.7
297.07739	2.4
327.09088	0.9
329.10284	2.3
339.08530	0.8
357.09827	13.6
358.10092	1.1
372.12054	7.0
387.14487	100.0
388.14822	8.7
505.26608	1.3
547.27625	6.4
548.27740	1.0
549.25244	0.7
581.35815	0.6
591.30396	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01098	0.7
59.01377	9.0
61.98831	4.8
63.79978	0.4
67.77409	0.4
71.01388	4.0
72.99280	0.5
73.02931	1.4
78.24223	0.4
78.60640	0.4
83.01388	0.6
85.02959	2.0
87.00860	1.5
88.98792	0.8
89.02425	1.9
95.01343	0.7
99.00854	1.2
101.02455	2.8
109.02946	0.9
112.98782	1.5
113.02422	1.6
115.05476	0.4
119.04984	1.1
121.02894	0.7
122.02431	0.5
123.00864	0.6
124.01659	1.4
125.02419	0.8
128.37068	0.4
131.03529	0.6
133.02957	3.1
134.03676	0.7
135.04532	2.7
137.02423	1.0
138.03249	1.0
139.04022	2.1
145.02881	1.1
146.03638	0.5
149.00923	1.8
149.02429	1.4
149.86633	0.4
150.03220	13.7
151.03859	0.6
159.03166	0.8
159.04506	14.1
161.02438	0.9
161.04604	0.9
162.03214	0.5
163.03983	1.3
165.05560	14.6
166.05898	0.8
173.06081	0.6
175.04095	0.7
177.05545	0.9
178.02736	0.6
179.03510	1.5
183.04520	0.4
191.05634	0.6
195.04538	2.2
199.07658	1.5
203.07132	0.7
210.06717	0.5
211.03992	2.6
217.08652	2.3
221.08073	0.5
223.03918	0.6
225.05553	0.8
235.09756	1.7
239.03479	19.3
240.03763	0.8
253.04979	0.6
253.08743	0.4
254.05823	14.2
255.06184	0.8
258.09622	0.4
266.07919	0.5
267.02951	5.7
268.03336	0.5
279.06635	1.3
281.04498	2.7
282.05319	61.1
283.05704	4.0
285.09021	0.4
295.06067	0.5
295.10898	0.5
296.06839	6.0
297.07666	100.0
298.08020	6.8
299.01968	0.4
300.03043	0.5
302.07697	0.4
311.09235	31.0
312.09604	3.1
327.08765	0.8
339.08682	0.9
354.10947	1.0
369.13388	12.0
369.22812	0.6
370.13834	0.9
378.24014	0.5
387.14502	21.8
388.14853	1.8
434.60452	0.4
471.90692	0.4
531.28552	2.7
549.20038	0.6
549.28717	0.5
591.20654	7.4
591.30438	1.9
592.21387	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
58.46848	0.2
59.01381	6.0
61.98825	3.0
68.14395	0.2
71.01384	2.7
71.62489	0.4
72.99309	0.3
73.02941	1.2
78.87203	0.3
83.01401	0.5
85.02954	1.1
87.00874	1.1
88.98799	0.6
89.02447	1.6
99.00896	0.7
101.02433	1.7
103.00379	0.3
109.02977	0.4
112.98821	1.0
113.02468	0.9
119.03431	0.3
119.05012	1.0
122.02448	0.4
124.01656	0.8
125.02420	0.3
130.04231	0.3
131.03502	0.4
133.02974	1.3
134.03693	0.3
135.04533	2.3
136.01630	0.4
137.02426	0.5
138.03246	0.5
139.04030	1.0
145.02972	0.5
146.09663	0.3
149.00929	1.3
149.02458	0.7
149.04494	0.6
150.03214	5.3
151.03926	0.4
159.04517	5.1
161.02443	0.5
161.04633	0.4
163.04037	0.6
165.05573	5.1
173.06049	0.3
175.03899	0.3
177.05588	0.4
178.02684	0.3
179.03510	1.6
183.04544	0.4
189.05498	0.3
191.05562	0.4
191.07176	0.2
193.04977	0.3
195.04492	2.7
199.07695	0.5
203.07201	0.4
205.12669	0.2
210.06866	0.3
211.04045	2.0
217.08676	1.0
223.04018	0.7
225.05646	0.5
235.09703	0.6
239.03491	20.9
240.03853	1.0
253.04990	0.5
254.05836	14.8
255.06250	1.1
267.00092	0.5
267.02969	6.0
279.06699	0.4
281.04602	1.5
282.05334	63.7
283.05734	5.0
293.03058	0.3
296.06931	2.5
297.07672	100.0
298.07990	7.1
307.06119	0.3
311.09238	11.7
312.09689	0.8
339.08737	0.6
354.11014	0.4
369.13379	4.8
370.13800	0.3
387.14499	9.0
388.14816	0.7
416.16074	0.3
472.36249	0.3
531.20044	0.4
531.27960	1.0
591.19611	2.8
591.30536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.2
60.99307	14.9
61.98849	0.7
71.01369	1.9
72.21082	0.4
72.99291	1.0
83.01386	0.5
87.00880	1.0
88.98805	100.0
89.02438	1.2
89.99115	0.6
93.03439	0.5
96.95984	0.6
99.92583	1.1
101.02442	1.1
103.61844	0.5
105.01977	0.7
109.02942	1.2
112.37350	0.5
113.02447	1.3
113.78757	0.5
116.92850	11.6
119.03487	0.5
119.05000	0.8
135.04466	1.0
139.98160	0.5
149.00902	2.9
149.06087	1.5
161.02370	0.6
161.04509	0.5
161.06107	0.8
163.03983	1.2
175.03981	0.8
176.04778	0.5
177.05470	0.6
189.05586	1.8
191.07120	0.6
217.05043	1.5
219.03012	0.9
221.04633	0.5
227.98761	0.5
235.06050	1.0
237.03999	1.2
274.96268	0.5
279.05286	0.5
295.08121	0.7
302.02853	0.6
310.48987	0.5
311.80490	0.5
327.08664	3.9
339.07169	11.2
340.07559	1.0
501.12589	4.2
502.12704	0.7
531.24536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08693	0.5
55.01873	0.8
56.22137	0.6
57.03444	1.8
58.00594	0.9
58.20676	0.6
58.47385	0.5
59.01379	100.0
60.01722	0.8
61.98836	7.3
62.87097	0.5
67.01891	2.1
68.99817	3.8
70.23764	1.0
70.24155	1.2
71.01382	14.1
71.01762	0.9
72.99307	4.6
73.02947	6.1
75.00867	1.3
83.01408	3.2
84.99316	0.5
85.02948	6.1
87.00870	12.3
88.98817	1.3
89.02447	5.5
92.99866	0.5
93.03522	0.6
95.01398	1.4
96.99332	1.6
97.02969	0.9
99.00873	6.3
101.02442	9.7
101.03065	0.7
103.00377	10.9
107.05022	1.3
108.02190	0.9
109.02982	1.2
111.00877	4.6
112.98806	8.5
113.02438	7.3
116.92883	1.2
117.03491	0.7
119.03545	1.2
119.05036	2.8
121.02956	13.4
123.04543	1.5
125.02493	1.6
127.00382	9.8
128.00735	0.7
128.07170	0.5
130.99866	7.8
131.03523	1.3
133.02986	1.6
134.03760	1.4
135.04529	12.2
135.05482	0.9
137.02481	1.5
138.03217	0.7
139.00406	0.8
139.04002	0.9
142.99913	0.8
143.03534	1.1
145.02965	1.1
147.04572	1.5
149.00937	2.8
149.02509	1.2
149.04572	1.9
149.06088	3.4
150.03239	5.2
151.04013	0.7
152.01199	0.7
154.99878	1.0
159.03127	0.6
159.04541	2.1
160.01631	0.6
161.02521	3.0
161.04593	4.7
161.05995	1.3
163.03995	2.5
165.05540	3.2
166.02789	0.8
167.03537	0.6
171.10274	1.4
174.03275	1.0
175.04008	0.7
175.07774	0.6
177.05626	1.9
179.03490	5.6
180.03918	0.8
180.97856	0.7
190.02711	1.0
191.03458	1.0
191.05617	1.2
191.07208	0.7
193.08847	0.9
195.10303	4.1
198.98811	3.6
203.03522	2.4
203.07278	1.2
207.06717	0.6
216.99966	0.8
217.08800	1.7
221.08261	1.2
223.06073	0.8
235.09785	3.1
239.03535	0.8
253.03485	12.1
253.08977	0.6
265.07178	1.0
267.03018	0.8
269.10364	6.5
281.04721	2.4
282.05264	4.1
283.06149	0.8
284.07022	1.3
287.09335	0.8
293.03125	0.7
297.04556	1.0
297.07614	4.2
299.09256	1.3
311.11725	2.4
369.13550	4.0
372.12177	0.6
387.14481	16.7
387.23022	0.6
387.27756	1.6
388.15140	1.1
395.09998	2.0
399.24057	1.1
417.10284	0.9
458.15372	1.3
459.16156	1.7
469.10373	2.1
479.92160	0.6
505.26636	1.3
513.30957	0.8
531.19177	1.2
531.32983	5.9
547.27588	5.7
548.28479	0.7
549.20343	0.9
549.33826	1.2
556.60077	0.6
591.21057	5.8
591.30194	1.9
592.21844	0.7
597.10193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25003	0.6
52.65710	0.6
53.16586	0.6
55.01867	0.9
57.03425	0.7
59.01378	25.2
71.01386	6.6
71.61491	0.8
72.99306	5.9
73.02943	2.0
83.01393	0.8
85.02958	2.9
87.00877	22.6
89.02425	4.5
93.03464	4.6
95.01369	0.8
96.95974	0.7
99.00832	0.8
99.92578	1.7
101.02443	5.1
103.00376	9.0
105.01921	0.8
108.02163	2.1
109.02943	2.4
112.98807	2.6
113.02424	4.7
115.00431	0.7
115.92085	1.8
116.30820	0.7
116.92861	12.3
117.92834	1.0
119.03570	1.4
119.05025	28.3
120.05317	1.0
121.02995	3.1
125.02432	0.7
130.99867	4.8
131.28029	0.7
133.02953	0.8
135.04523	2.5
143.03528	0.8
143.05000	4.4
145.02922	1.5
145.06677	0.9
149.00911	49.1
150.01241	1.5
151.03983	1.0
152.01163	5.1
161.02477	1.6
161.04492	2.5
163.04004	15.1
179.03447	3.0
195.04547	0.9
209.06267	0.9
211.07639	1.9
223.07635	1.2
233.29593	0.7
235.07710	1.1
237.09183	7.4
238.09721	0.8
239.10765	3.6
253.03500	2.2
265.08765	4.3
265.23010	0.7
283.09744	11.0
284.10300	0.8
309.07782	1.3
327.08716	100.0
328.09015	8.0
343.07932	0.9
370.49857	0.7
447.11572	2.9
459.09235	13.0
460.09845	1.3
489.12582	1.4
510.60925	0.8
531.24457	2.6
549.25348	2.3
591.15027	3.0
591.26294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63151	0.6
57.03432	0.7
58.00600	1.0
59.01381	36.2
66.78134	0.6
69.77546	0.6
71.01384	12.5
71.61062	0.8
72.99307	11.5
73.02942	3.9
74.27421	0.6
75.00875	0.8
76.03427	0.7
83.01394	1.6
83.58627	0.8
85.02971	3.4
87.00881	26.3
88.98808	0.9
89.02451	6.9
92.86945	0.7
93.03459	4.3
99.92550	1.3
101.02456	7.1
103.00381	11.1
105.01953	1.7
107.42533	0.7
108.02179	1.2
109.02953	2.3
112.98844	1.3
113.02460	6.2
115.00381	1.4
115.92085	2.6
116.92856	6.1
117.03425	0.7
119.03500	2.5
119.05025	13.5
121.02975	5.9
125.02412	1.3
130.99881	6.9
131.03490	1.2
131.05054	1.0
133.01419	1.5
133.02945	1.2
133.05144	1.1
134.03745	1.3
135.04530	2.5
137.02440	0.9
143.03499	1.5
143.05028	3.2
149.00919	100.0
150.01207	2.2
153.01860	0.8
153.05557	1.1
161.02420	3.1
161.04567	3.0
163.04012	8.8
167.66162	0.8
175.02429	0.7
179.03496	1.3
179.05659	1.4
181.08681	3.1
196.86998	0.7
211.07683	1.6
235.07733	1.1
237.09184	1.9
238.83607	0.7
239.10809	2.3
253.03487	5.6
253.07234	0.8
255.10252	3.8
265.08768	3.7
283.09821	1.4
294.20602	0.8
309.07669	1.4
325.03717	1.4
327.08734	39.0
328.09143	3.9
343.08258	0.9
378.50610	0.7
429.14038	1.8
459.09314	2.9
468.61569	0.8
531.24475	4.4
547.14636	1.0
549.25659	3.4
560.88348	0.9
591.12817	1.1
591.19958	1.0
591.27600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	0.7
59.01382	11.6
65.05376	0.6
70.93163	0.8
70.93487	0.7
71.01382	6.0
72.99313	0.9
73.02945	1.0
83.01375	0.5
85.02949	1.3
87.00883	7.0
89.02444	4.3
93.03464	2.7
99.00875	0.6
99.92564	0.8
100.56187	0.5
101.02442	3.0
109.02983	0.5
112.98791	1.3
113.02471	4.0
115.92075	0.5
116.92864	4.0
117.03471	3.0
117.92879	1.4
118.92651	1.0
119.03518	1.6
119.05025	16.0
121.02964	0.6
123.04509	0.5
131.03499	0.5
132.05931	0.5
135.04520	1.3
143.05042	1.8
145.02957	14.5
145.06593	1.6
149.00923	6.0
161.02420	0.8
161.04553	1.1
163.04008	9.5
171.07828	0.4
177.05534	0.7
179.03503	1.0
179.05559	0.7
187.75816	0.5
195.04546	1.3
197.09711	0.8
199.01584	0.5
209.06071	0.9
211.07651	0.9
223.07622	2.0
237.09203	6.1
238.09631	0.6
239.10791	2.8
265.08759	0.5
283.09760	20.3
284.10068	1.2
327.08731	100.0
328.09048	9.1
336.97464	0.4
343.08218	0.6
399.09256	0.5
411.52615	0.5
429.14093	13.8
430.14200	0.9
459.09256	6.6
460.09778	0.7
531.24500	2.5
535.90289	0.5
549.25555	2.0
591.09698	1.0
591.26154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55751	0.4
59.01379	31.1
61.98825	1.8
65.66594	0.5
70.63100	0.6
70.63466	1.3
75.00861	0.5
78.95905	5.9
90.35423	0.4
96.96994	0.5
112.88035	0.5
113.02457	0.4
140.33713	0.4
149.00833	0.5
152.99593	3.0
163.64499	0.5
168.97797	0.4
180.04230	0.9
182.98505	0.4
254.07846	2.3
277.21637	0.8
279.23273	100.0
280.23615	7.2
354.85608	0.5
429.19223	0.7
516.30951	23.8
517.31134	2.9
527.28778	2.8
590.34760	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	590.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	64.2
61.98823	3.5
69.45316	10.1
75.00866	1.5
78.95906	23.0
87.00862	2.2
90.20891	1.2
90.26505	1.5
96.95981	1.3
112.98815	1.3
149.00970	2.8
152.99644	9.5
155.78595	1.2
176.53929	1.5
177.01990	2.9
180.04298	2.0
193.94398	1.4
194.05746	1.4
236.06830	6.9
237.74100	1.7
254.08017	1.9
279.23297	100.0
280.23657	7.1
287.11841	1.4
516.30994	64.0
517.31036	8.5
590.34735	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07105	1.4
54.42199	1.5
57.03432	1.4
57.99987	1.5
59.01380	17.5
61.98828	56.4
66.07592	1.7
71.01379	4.3
77.58868	1.3
85.02943	1.8
87.00890	1.9
89.02437	4.8
89.60255	1.5
98.19867	6.5
101.02455	3.9
113.02382	1.9
113.09731	7.5
118.70124	1.6
127.55499	1.6
171.10326	3.2
177.86288	1.4
197.28009	1.4
208.22939	1.4
235.16997	4.0
253.09285	21.0
259.98438	1.4
275.20160	8.2
278.36478	1.8
290.65707	1.4
293.21225	100.0
294.21484	5.4
505.49777	1.6
537.09546	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
59.01384	19.4
61.98838	16.6
70.75966	1.6
71.01384	5.0
71.10561	2.8
83.01426	1.8
85.02958	2.6
87.00928	2.7
88.34554	1.9
89.02448	4.2
101.02440	3.5
113.02442	3.8
113.09715	9.9
119.03465	1.6
135.04504	1.8
153.05096	1.9
161.04568	2.6
163.03873	1.9
171.10242	3.1
183.13731	2.1
193.60957	2.1
249.22221	1.8
253.09334	22.1
275.20163	4.0
291.20203	1.8
293.21249	100.0
294.21552	7.0
320.06903	1.6
321.66162	1.7
326.71140	1.7
375.90012	1.9
529.30231	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	589.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.77379	1.1
60.01700	0.9
61.98817	1.2
69.97250	4.1
72.39716	0.9
98.20480	1.3
109.52998	0.9
153.77367	0.9
165.54111	1.0
196.89482	1.1
205.17732	1.0
277.21725	9.8
522.29651	1.0
548.62964	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4111
Annotation	Hebevinoside IX
Peak:m/z	Relative Intensity
59.01389	1.9
60.75114	1.4
61.98871	1.7
92.97988	1.7
96.95985	1.8
98.19831	2.7
143.74872	1.6
229.65141	1.6
355.19571	1.9
361.18268	1.5
380.74167	1.6
388.74362	1.5
457.36871	100.0
458.37350	12.3
563.50659	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	590.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
60.79783	0.4
61.98831	100.0
70.27148	1.3
76.36185	0.4
80.96516	0.5
94.54128	0.4
96.46922	0.3
98.19915	0.3
129.03145	0.3
160.55280	0.3
165.05649	0.4
251.40468	0.3
315.65213	0.3
385.16757	0.5
386.16928	1.3
420.93936	0.4
530.20538	0.5
591.24750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42242	1.9
57.03442	5.3
58.00601	2.7
59.01381	100.0
60.01700	2.9
61.03372	1.7
61.98838	4.6
65.09972	1.9
71.01383	50.1
72.99325	3.3
73.02950	27.7
75.00883	2.7
82.19942	2.1
83.01395	6.0
85.02955	17.7
87.00889	8.7
89.02451	32.0
95.01375	3.7
99.00886	62.5
101.02449	21.6
112.98793	2.8
113.02462	23.6
119.03506	3.5
119.05038	4.9
123.08077	2.0
125.02477	3.2
131.03496	10.9
134.03770	2.9
135.04538	4.6
137.02432	1.9
138.60983	1.7
143.03510	3.8
145.03021	2.4
149.00954	13.4
149.04573	42.8
149.05876	2.6
151.04002	2.2
159.04510	2.3
161.02435	2.3
161.04538	13.2
163.04010	5.1
175.03976	3.5
179.03485	4.3
191.05629	28.5
203.05588	13.6
233.06686	8.6
253.08871	2.3
271.05954	2.4
284.22610	2.0
297.87454	1.9
300.16034	2.0
301.11035	2.2
315.51410	1.9
336.35724	2.1
337.09344	3.5
457.15054	11.2
458.14859	1.9
503.25110	13.7
529.26483	2.4
533.55768	2.0
545.26013	44.8
546.26312	7.1
572.75153	2.3
604.42230	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	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73925	0.3
59.01368	0.5
63.78755	0.3
69.34358	1.4
69.34779	1.7
70.39209	0.3
72.99297	2.0
75.00873	100.0
76.01218	0.6
98.19904	0.7
106.01743	0.4
268.75513	0.4
277.21869	0.7
279.23212	2.0
324.53912	0.4
442.89154	0.4
478.36786	0.5
516.30762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
70.42298	1.0
72.99310	1.4
75.00872	100.0
76.01214	0.7
78.95912	0.5
87.00891	0.3
114.39795	0.4
132.07785	0.3
212.90924	0.4
277.21753	0.8
279.23251	0.8
289.77481	0.4
340.27817	0.3
342.84152	0.3
438.73779	0.4
516.30804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47124	1.7
57.03452	3.2
59.01382	100.0
61.98825	6.8
69.38046	16.7
71.01387	30.1
72.99312	5.5
73.02945	10.8
83.01395	4.3
85.02967	14.2
87.00882	14.2
87.96506	1.7
88.98817	2.7
89.02451	14.9
89.53799	1.6
95.01378	2.2
97.02958	1.7
99.00858	10.9
101.02454	20.2
103.00385	2.2
109.02913	3.9
112.98835	4.9
113.02457	15.0
114.89016	1.9
117.03511	3.0
119.03522	2.9
119.05029	8.1
125.02419	2.3
129.87801	1.9
130.99898	2.5
131.03516	4.2
132.39665	1.6
133.02966	1.9
134.03754	6.4
135.04562	10.5
135.33408	1.9
137.02516	2.1
143.03465	2.5
145.02956	3.1
147.04523	3.3
149.00917	18.0
149.04539	7.2
149.05980	2.6
159.02998	1.9
159.04538	2.3
161.02522	2.5
161.04572	6.3
163.04012	9.1
164.71202	1.8
175.03851	2.1
179.03488	7.3
191.05650	2.7
203.03444	2.0
203.05479	2.9
209.15471	3.6
251.07236	1.9
252.07849	5.4
253.08705	9.3
254.09407	2.3
271.06149	2.2
371.20602	7.6
385.13010	3.0
413.21863	2.3
439.13800	4.1
457.15173	26.4
457.20764	3.4
458.15167	2.7
503.25107	22.1
529.26440	5.0
545.25995	51.1
546.26416	8.1
547.27515	4.1
585.60748	2.2
589.28461	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
56.07747	1.9
57.03446	8.2
59.01381	100.0
61.98840	10.9
69.03481	2.8
71.01387	43.9
71.62319	2.3
72.99316	8.2
73.02943	28.1
76.32326	2.0
83.01411	7.5
85.02966	12.0
87.00872	23.5
88.98827	2.7
89.02447	31.3
93.03458	4.4
95.01427	2.6
97.02953	3.9
99.00884	57.2
99.01519	3.9
99.04503	5.3
99.68746	2.1
101.02442	28.0
103.00380	7.9
109.02997	3.6
111.39379	1.9
112.98833	10.5
113.02443	18.8
115.65195	2.5
117.03479	2.2
119.03548	2.5
119.05016	11.1
125.02472	7.5
127.11279	1.8
128.03511	6.1
131.03502	9.7
133.02954	4.0
134.03743	6.1
135.04555	13.5
136.04858	2.0
137.02499	2.1
137.73164	2.0
138.36366	1.8
143.03500	5.8
145.02945	9.2
147.04547	2.6
149.00926	31.8
149.02104	2.7
149.02663	2.5
149.04556	32.6
149.05801	2.9
150.03227	2.6
159.04523	3.2
161.02448	4.8
161.04590	11.6
163.04050	10.8
164.04720	2.3
167.03513	2.7
175.03999	2.7
177.01947	3.6
178.02695	3.7
179.03462	8.3
191.05621	27.0
203.03758	1.7
203.05576	12.5
205.12321	2.1
207.08701	3.7
233.06776	6.0
239.03566	2.2
250.11665	2.1
251.11357	6.1
252.08217	2.2
253.08653	10.1
268.03802	16.3
269.10336	4.9
275.09235	2.6
283.06122	20.3
319.10385	6.9
335.09790	2.8
337.09369	5.5
356.07578	2.0
385.12775	2.0
397.12888	2.4
413.15793	2.5
439.13968	6.3
457.15048	25.5
457.20853	7.9
458.15378	3.0
529.26465	9.6
545.26355	13.0
546.25336	2.0
559.16565	2.1
589.27618	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	589.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
61.98824	1.3
70.29530	1.0
71.01383	0.3
72.83174	0.3
99.27670	0.3
103.81960	0.3
112.98817	0.6
123.00882	0.4
123.04523	0.3
124.01671	2.0
125.02424	0.8
135.04512	0.8
136.01665	0.9
137.02455	2.9
139.03998	1.1
147.04518	0.5
149.02435	3.3
150.03224	20.7
151.04019	1.8
154.91553	0.3
161.02492	1.5
162.03221	1.0
163.04022	2.7
164.04732	0.7
165.05566	13.5
166.05853	0.3
173.05983	0.4
174.03232	0.4
175.04015	4.6
175.07623	0.9
177.05602	0.5
177.09212	0.6
187.04037	0.4
187.07605	0.6
189.05542	1.4
190.06328	0.8
191.07143	2.7
192.07939	5.1
193.08655	0.4
201.09218	0.9
202.06337	0.5
203.07124	4.8
204.07895	11.6
205.08675	12.4
206.09213	0.9
207.10184	2.5
217.08687	3.7
218.09473	27.6
219.10185	5.6
229.08493	0.4
230.09566	0.5
231.10237	1.2
233.11826	14.5
234.12054	0.7
236.06645	0.4
245.11639	0.4
282.05182	0.3
283.06042	0.4
286.04871	1.8
301.07211	2.3
312.06396	0.7
316.09595	0.3
327.08765	1.4
327.21280	0.3
337.10822	0.4
338.11584	0.5
339.12366	1.0
352.13144	0.4
353.14038	0.7
354.11008	0.7
355.11868	4.5
369.13501	0.6
370.14197	10.4
371.14612	0.9
385.16553	100.0
386.16913	9.6
529.20648	0.8
547.21844	0.8
589.22809	8.6
589.31848	0.5
590.23578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60110	1.2
55.01911	1.2
58.00584	2.2
59.01380	100.0
60.21798	1.3
61.98835	4.3
69.03455	1.8
71.01383	40.8
72.01749	1.3
72.99307	3.4
73.02948	48.3
75.00873	1.9
83.01389	13.0
85.02962	5.0
87.00873	8.1
89.02441	10.0
93.03465	1.7
95.01370	3.5
96.95992	2.2
97.02959	1.6
98.19883	2.6
99.00864	2.3
101.02442	48.8
103.00391	1.4
108.02185	2.3
109.02968	3.2
112.98792	3.3
113.02454	21.2
114.19986	1.4
119.03514	7.1
119.05013	2.9
123.39198	1.5
125.02461	2.2
131.03496	5.4
134.03784	1.6
135.04518	6.9
137.02466	2.1
143.03499	6.4
145.02959	1.5
146.08270	2.3
149.00916	8.0
149.02524	1.5
149.04564	9.4
150.88934	1.2
151.03957	1.9
152.01083	6.7
153.01851	1.7
155.03482	2.7
161.04556	20.5
163.04047	2.0
165.05586	2.0
175.15033	1.6
179.03539	3.1
179.05568	1.8
188.65553	1.4
203.05603	2.4
221.06660	10.6
233.15485	11.3
245.15416	2.2
287.16510	3.3
296.68243	1.4
373.46878	1.5
427.15875	2.4
439.13916	2.2
455.22775	5.5
457.14822	6.1
509.23395	1.7
526.23389	2.7
527.16675	1.6
589.21490	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	589.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01381	1.9
65.00732	0.3
82.65986	0.3
87.00887	0.4
90.79671	0.3
98.20676	0.9
103.26198	0.3
109.02959	0.7
109.06580	0.6
112.98808	1.2
121.02968	0.5
123.00916	0.6
124.01654	2.8
125.02432	0.9
125.09735	0.7
135.04507	0.7
136.01678	0.9
137.02452	3.3
138.03169	0.6
139.04016	1.0
147.04483	0.4
149.02455	3.1
149.09731	0.7
150.03220	21.4
151.04047	1.6
159.04488	0.4
161.02431	1.6
162.03233	1.0
163.03999	3.3
164.04712	0.5
165.05571	14.1
166.05904	0.6
174.03062	0.4
175.04019	4.1
175.07661	1.0
175.82310	0.3
177.05550	0.3
177.09171	0.4
187.07660	0.7
189.05588	1.5
191.07114	2.2
192.07895	5.4
193.08691	11.0
194.09044	0.4
200.08498	0.4
201.09215	0.9
203.07144	4.8
204.07904	13.4
205.08682	4.9
206.09346	0.5
207.10251	2.8
217.08716	2.9
218.09473	28.4
219.10147	5.0
221.87500	0.4
224.39125	0.3
229.84779	0.4
230.09641	0.5
231.10298	1.1
233.11830	14.7
234.12190	0.6
245.11626	0.4
250.08426	0.5
252.10152	0.3
266.17474	0.3
268.03836	0.4
269.04694	0.4
286.04831	2.5
300.06256	0.4
301.07184	2.0
311.13184	0.4
312.06363	0.4
316.09396	0.3
316.23309	0.3
327.08612	1.8
327.21786	0.7
337.10806	0.7
338.11325	0.6
339.12329	0.8
352.13034	0.6
353.14050	0.4
355.11938	3.9
370.14206	7.4
371.14380	0.9
385.16556	100.0
386.16916	9.3
451.17285	0.3
486.97992	0.3
535.06317	0.4
589.23010	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	589.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90339	0.4
59.01385	3.9
61.98833	2.5
61.99124	0.3
69.66424	1.7
69.66834	1.0
73.02936	0.4
85.02927	0.4
87.00854	0.4
99.92573	0.4
101.02460	0.7
103.00281	0.4
109.02905	0.6
110.00111	0.5
111.00884	0.5
112.98778	1.5
121.02953	0.8
122.03712	0.8
122.12706	0.4
124.01653	1.8
125.09698	0.7
129.53127	0.4
135.04515	1.0
136.01653	1.4
137.02472	3.8
139.04013	0.8
147.04477	1.0
149.00810	0.5
149.01151	0.6
149.02435	7.6
149.09749	0.6
150.03233	9.3
151.04008	5.4
160.07286	0.4
161.02379	0.7
162.03204	1.6
163.03990	2.4
164.04820	0.4
165.05565	4.3
171.10231	0.9
175.04047	2.2
177.05643	0.5
177.09198	1.5
179.07111	0.8
182.02191	2.2
187.04034	0.6
189.09041	0.4
190.06316	3.0
190.09935	0.4
191.03461	0.5
191.07162	0.7
192.07904	6.2
193.08664	5.1
203.07144	2.7
204.07924	2.6
205.08688	68.6
206.09042	3.4
206.22672	0.5
207.10292	1.0
210.65953	0.5
217.08665	3.7
218.09468	22.6
219.10199	5.0
230.09399	1.2
231.10243	3.7
233.11777	3.8
257.04465	0.6
268.03714	0.5
286.04840	2.5
293.21365	2.0
301.07156	3.8
316.09485	4.3
327.08725	0.6
355.11838	2.9
357.99460	0.5
370.14215	21.8
371.14484	1.6
385.16577	100.0
386.16953	9.4
589.22931	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	589.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80894	0.3
52.49857	0.4
56.33851	0.3
57.03451	7.2
59.01385	2.2
60.71115	0.3
61.98825	0.8
67.51425	0.4
69.03458	0.4
71.01404	0.4
74.06725	0.4
81.03455	0.5
83.01385	0.9
87.00923	0.3
98.53230	0.3
107.05067	0.5
107.08675	1.2
109.02971	0.4
109.06599	4.0
110.90681	0.3
112.98830	0.6
121.02939	0.8
122.03728	0.4
123.00892	0.5
124.01661	12.5
125.02528	0.9
125.09721	7.1
133.06607	0.5
136.01727	0.4
137.02469	2.1
146.00490	0.4
147.08162	0.5
148.01649	1.0
149.02406	1.9
149.06088	0.4
149.09708	6.1
150.03235	3.3
151.07686	3.6
161.02411	0.5
163.04036	0.4
164.01178	1.0
165.05557	1.0
173.06062	0.5
175.03995	0.7
176.01157	8.6
177.01857	1.3
177.05605	0.7
187.03868	0.4
189.05620	0.5
191.03510	11.5
191.07120	1.3
192.03949	0.9
192.08012	0.9
193.08693	100.0
194.09009	4.3
204.07942	0.5
205.08702	1.5
215.03436	0.4
217.05093	0.5
218.09486	1.3
219.06491	0.4
219.10153	0.5
233.11819	0.8
235.17271	0.4
245.08189	0.7
257.04373	0.4
293.21298	1.0
301.03531	0.4
325.10730	0.5
326.11322	0.5
341.14075	1.0
352.09595	0.5
370.14264	0.8
385.12851	15.8
385.16797	5.2
386.13049	1.9
529.17340	0.4
589.19232	27.4
590.19592	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	589.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.8
57.23455	0.2
59.01380	1.1
61.98831	0.4
69.03473	0.2
70.18536	0.7
71.01390	0.4
72.83228	0.2
72.99274	0.2
79.87211	0.2
81.03465	0.5
83.01368	1.1
83.05031	0.2
84.99317	0.4
85.02957	0.2
87.00881	0.8
87.93796	0.2
92.87635	0.2
93.03464	0.3
101.02463	0.3
107.08665	1.7
108.02170	0.2
108.08969	0.2
109.02968	0.4
109.06593	5.8
112.98809	3.0
113.02452	0.2
119.05011	0.2
121.02972	0.3
124.01663	13.4
125.02502	1.0
125.09724	6.5
126.10027	0.2
133.06557	0.2
137.02451	1.8
138.03130	0.2
139.04030	0.5
147.04510	0.8
147.08185	0.2
148.01678	0.3
149.02431	0.6
149.06013	0.2
149.09721	8.2
150.03223	3.3
150.10049	0.2
151.03955	0.4
151.07652	3.4
161.02467	0.2
163.00447	0.3
163.04004	0.2
171.10251	0.5
176.01144	1.4
177.01868	0.3
177.05565	0.4
187.53262	0.2
190.02893	0.2
191.03511	1.6
191.07097	0.5
192.04253	0.3
193.08690	100.0
194.09023	4.7
205.08720	0.7
211.13364	0.4
211.26465	0.2
222.52049	0.2
229.14551	0.4
233.08173	0.3
245.08231	1.0
300.02817	0.2
309.20773	0.3
327.21762	2.8
328.22064	0.2
351.21683	0.4
385.12549	1.0
464.01080	0.2
545.33124	0.3
589.19250	9.9
589.32593	0.8
590.19653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03445	6.8
59.01378	5.3
61.98823	1.2
69.03471	0.3
70.23705	0.3
71.01378	2.2
71.61580	0.5
73.02930	0.8
81.03454	0.5
83.01392	0.8
85.02945	0.6
87.00882	0.9
89.02444	1.3
95.01403	0.4
96.36385	0.4
99.00888	1.5
101.02429	1.2
107.02355	0.3
107.05035	0.7
107.08665	1.2
109.06590	3.6
112.98798	2.2
119.05011	0.5
121.02963	0.6
124.01671	14.4
124.02592	0.8
125.02480	2.0
125.09739	7.3
133.06586	0.6
135.04515	0.6
137.02449	2.8
147.08174	0.4
148.01663	1.5
149.00963	0.6
149.02451	1.0
149.06085	0.4
149.09718	7.5
150.03249	2.7
151.07661	3.4
161.02557	0.4
164.01161	1.2
165.05737	0.4
171.10286	0.5
175.04018	0.3
176.01161	11.9
177.01903	1.5
177.05640	0.6
179.03464	0.6
189.05641	0.4
191.03522	14.4
191.07130	1.2
192.04100	0.7
193.08696	100.0
194.09053	4.2
205.08719	1.5
207.06647	0.5
215.03508	0.5
219.06532	0.4
233.04735	0.5
245.08258	0.9
257.04617	0.7
271.08829	0.4
295.22858	0.4
315.05069	0.7
326.11752	0.7
341.13934	1.1
383.15057	0.4
384.15659	0.8
385.12863	23.3
386.13046	2.0
457.27502	1.3
529.17035	1.4
589.19336	26.2
589.32397	6.6
590.19415	3.2
590.33173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28809	0.7
53.38682	0.7
57.03416	1.3
59.01093	1.3
59.01380	25.4
60.01710	1.2
61.98823	3.3
69.47205	5.9
71.01379	6.6
72.47164	0.7
72.99309	3.1
73.02934	2.4
83.32954	0.7
84.99313	2.8
85.02945	2.7
87.00875	6.8
89.02462	4.4
93.03473	7.1
97.02949	0.8
99.00868	1.3
101.02445	3.3
103.00346	3.5
108.02144	1.0
112.98817	47.8
113.02442	3.1
117.03465	1.1
119.05030	34.8
121.02934	3.9
123.08115	0.9
125.73070	0.8
130.99850	3.0
131.03499	0.8
131.04999	2.0
132.05807	1.4
133.02956	1.8
133.06580	2.3
134.03717	1.5
135.04539	7.6
136.04892	0.7
137.02481	1.6
143.04988	3.9
145.02965	2.7
145.06558	2.1
147.04529	5.1
148.01660	0.9
149.00903	7.5
149.04546	1.6
150.03192	2.8
151.59807	0.8
159.04459	0.9
161.02318	0.9
161.04749	1.0
161.06058	4.7
163.04027	14.8
164.04427	0.8
165.05624	1.1
171.04640	0.9
175.04018	1.6
175.07672	1.5
175.86462	0.8
176.01178	3.9
177.01886	0.9
178.02753	0.8
179.03455	2.6
189.09215	2.7
191.03534	4.2
191.05341	0.9
193.08681	8.2
195.04449	1.5
197.06195	0.8
203.03368	1.3
205.05075	3.4
209.06137	0.9
211.07671	2.4
213.09177	1.9
221.09737	0.7
222.06935	0.9
223.07640	13.5
224.08282	1.1
227.10693	1.2
235.07579	1.4
237.09198	11.3
238.09572	0.9
239.10783	3.9
240.04561	1.0
253.08784	0.7
265.08694	6.8
277.03439	1.9
279.05142	0.8
283.09729	18.4
284.10141	1.3
309.07791	1.4
325.10760	2.0
327.08725	100.0
328.09079	6.7
341.13971	4.0
367.24808	2.1
369.09845	8.0
385.12836	12.4
385.17361	1.0
386.13068	1.0
413.16171	4.4
457.14862	2.3
457.25623	1.6
529.27124	3.3
547.31226	2.2
589.19244	3.5
589.33545	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	589.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28809	0.7
53.38682	0.7
57.03416	1.3
59.01093	1.3
59.01380	25.4
60.01710	1.2
61.98823	3.3
69.47205	5.9
71.01379	6.6
72.47164	0.7
72.99309	3.1
73.02934	2.4
83.32954	0.7
84.99313	2.8
85.02945	2.7
87.00875	6.8
89.02462	4.4
93.03473	7.1
97.02949	0.8
99.00868	1.3
101.02445	3.3
103.00346	3.5
108.02144	1.0
112.98817	47.8
113.02442	3.1
117.03465	1.1
119.05030	34.8
121.02934	3.9
123.08115	0.9
125.73070	0.8
130.99850	3.0
131.03499	0.8
131.04999	2.0
132.05807	1.4
133.02956	1.8
133.06580	2.3
134.03717	1.5
135.04539	7.6
136.04892	0.7
137.02481	1.6
143.04988	3.9
145.02965	2.7
145.06558	2.1
147.04529	5.1
148.01660	0.9
149.00903	7.5
149.04546	1.6
150.03192	2.8
151.59807	0.8
159.04459	0.9
161.02318	0.9
161.04749	1.0
161.06058	4.7
163.04027	14.8
164.04427	0.8
165.05624	1.1
171.04640	0.9
175.04018	1.6
175.07672	1.5
175.86462	0.8
176.01178	3.9
177.01886	0.9
178.02753	0.8
179.03455	2.6
189.09215	2.7
191.03534	4.2
191.05341	0.9
193.08681	8.2
195.04449	1.5
197.06195	0.8
203.03368	1.3
205.05075	3.4
209.06137	0.9
211.07671	2.4
213.09177	1.9
221.09737	0.7
222.06935	0.9
223.07640	13.5
224.08282	1.1
227.10693	1.2
235.07579	1.4
237.09198	11.3
238.09572	0.9
239.10783	3.9
240.04561	1.0
253.08784	0.7
265.08694	6.8
277.03439	1.9
279.05142	0.8
283.09729	18.4
284.10141	1.3
309.07791	1.4
325.10760	2.0
327.08725	100.0
328.09079	6.7
341.13971	4.0
367.24808	2.1
369.09845	8.0
385.12836	12.4
385.17361	1.0
386.13068	1.0
413.16171	4.4
457.14862	2.3
457.25623	1.6
529.27124	3.3
547.31226	2.2
589.19244	3.5
589.33545	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	588.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.3
61.98831	2.9
71.01377	1.1
71.61800	0.5
72.99341	0.5
73.02932	0.3
87.00874	1.6
88.04040	1.6
89.02460	0.7
96.96043	2.6
101.02453	0.4
107.05025	1.1
108.02158	1.0
109.02978	0.6
110.52699	0.3
113.02470	0.7
114.05620	0.9
116.05076	1.2
116.92864	1.3
117.03484	0.4
119.05029	0.7
121.02983	0.6
123.00901	0.4
123.04494	1.1
124.01655	0.6
125.02434	0.6
130.99933	0.3
131.05049	0.4
132.03064	2.0
132.04561	1.7
133.05069	1.1
133.06607	0.8
135.04536	4.8
136.01703	0.5
137.02448	0.5
145.02950	0.6
149.00925	1.9
149.02391	1.2
149.06087	1.7
149.99608	0.5
150.03244	0.7
151.03938	0.9
152.01158	1.3
153.41658	0.3
159.03276	6.7
159.04491	0.6
160.04042	100.0
161.02516	0.8
161.04390	4.1
162.35486	0.4
163.03957	0.5
164.04768	0.8
164.47746	0.3
165.05554	0.7
168.00618	1.2
177.05569	1.7
179.03497	5.8
186.84927	0.4
188.07243	0.4
189.05551	0.5
193.01387	0.4
195.03004	0.6
203.03464	1.1
204.02982	3.7
205.05121	0.5
208.03784	1.2
221.04552	0.8
223.06125	3.1
226.20956	0.4
242.76199	0.3
250.07225	1.5
311.07776	0.9
322.09311	15.0
323.09531	1.0
341.08743	1.0
364.10480	0.9
366.08289	27.8
367.08603	2.1
368.23453	0.9
383.09851	0.7
408.09442	1.5
412.22266	0.8
432.98474	0.4
436.14508	0.5
456.13556	0.6
457.13934	0.7
524.09271	0.4
544.15137	0.5
588.13196	2.5
589.16266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80966	0.5
59.01380	37.0
61.98823	1.3
70.59412	0.8
70.59768	1.6
78.95898	7.8
127.36590	0.6
127.37637	0.5
127.84950	0.6
152.99585	4.5
174.79665	0.5
180.04346	1.5
194.99696	0.7
199.10347	0.6
236.06964	0.7
254.07935	1.7
263.83740	0.5
277.21707	100.0
277.89502	0.6
278.22067	7.3
333.66208	0.5
395.48779	0.6
514.29309	22.4
515.29645	2.4
588.33240	2.7
589.33240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.0
61.98832	7.9
71.01386	6.8
71.05029	14.7
73.02917	1.4
75.95070	1.2
78.95935	1.3
83.01377	1.2
84.99375	1.3
89.02469	4.9
96.24267	1.3
96.96003	1.7
97.06595	3.4
98.03870	1.3
101.02480	6.1
112.98809	3.0
113.02447	4.5
122.15274	1.1
134.03728	1.4
135.04573	1.5
161.04477	2.2
163.00160	1.3
163.03931	1.4
179.03468	1.5
191.07040	1.9
197.11784	1.3
209.11832	1.9
219.13913	2.4
235.17038	2.3
247.20915	1.3
253.09311	21.2
256.35825	1.6
273.18887	1.8
277.03497	1.4
291.19681	100.0
292.20004	8.1
435.41196	1.4
461.70297	1.4
527.28516	3.9
583.41376	1.6
589.71454	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87209	1.4
57.33605	1.4
59.01382	29.1
71.01382	6.6
85.02950	2.0
101.02443	5.4
120.80820	1.5
133.23132	1.4
161.04575	2.4
214.02341	1.5
253.61966	1.5
267.10791	9.5
277.21722	100.0
278.22070	8.3
533.33826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
61.98828	0.4
69.74384	1.0
71.01399	0.3
73.02972	0.2
87.00880	0.3
91.01876	0.2
96.46362	0.2
96.96042	0.3
101.02452	0.3
103.00370	0.2
107.05044	0.4
109.03014	0.2
112.98788	0.2
114.51633	0.2
116.05068	3.0
116.92870	0.4
117.03468	0.2
132.04591	0.3
132.78802	0.2
134.03838	0.2
135.04530	0.5
138.19540	0.2
145.02951	0.4
149.00938	0.5
149.05983	0.2
152.01123	0.4
154.78423	0.2
159.03279	0.5
160.04045	100.0
161.02432	0.3
161.04411	3.6
163.04033	0.2
179.03540	0.5
203.03400	0.4
204.03021	5.0
322.09305	1.0
366.08286	44.1
367.08719	2.7
408.09332	1.2
434.40604	0.2
588.13629	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.9
59.01388	26.7
60.08032	2.9
61.98831	14.3
66.09735	2.7
66.59949	2.9
68.65739	3.3
69.85878	12.8
71.01392	7.3
83.05018	6.0
85.02930	3.8
87.00875	4.3
89.02432	5.1
89.58951	2.8
97.06589	10.5
98.20557	4.7
101.02443	5.2
109.14064	3.1
111.08164	36.4
117.56933	3.1
121.10266	9.3
125.09727	65.2
132.65578	3.6
135.04491	5.8
149.00851	4.0
151.89375	3.2
173.08171	28.4
179.03502	3.2
185.11829	7.4
187.09767	43.2
247.11801	3.8
253.09245	19.1
258.80835	3.6
261.13367	6.3
291.19659	100.0
292.20038	7.1
304.19495	3.0
396.10117	3.1
417.21207	16.5
431.22763	9.8
441.03918	3.0
441.21564	3.2
527.28546	8.8
587.30731	67.4
588.31274	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	587.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.8
59.45516	0.4
61.98833	2.5
71.01379	1.3
87.00879	0.6
89.02499	0.5
101.02435	0.4
103.00366	0.4
110.96464	0.4
112.98831	1.4
113.02468	0.4
121.02860	0.5
123.00887	0.9
124.01668	1.1
125.02473	1.9
135.04550	0.5
137.02454	1.2
139.03967	1.2
149.02452	1.9
150.03229	20.5
151.03714	0.6
157.06535	0.4
159.04501	1.4
159.13458	0.4
161.02432	0.7
163.03995	0.7
164.04720	0.4
165.05562	17.9
166.05905	0.9
171.10226	0.7
173.06076	2.5
174.03250	1.0
175.03969	0.9
175.07649	1.4
177.01828	0.4
185.06154	0.7
187.03960	0.9
187.07664	0.5
188.04849	0.7
189.05527	2.1
190.06331	3.9
191.07010	1.1
193.08708	0.5
197.11853	0.9
198.06900	0.9
199.07639	1.6
201.05560	3.9
202.06345	6.6
203.07086	2.2
204.70747	0.4
205.08691	2.8
207.61786	0.4
215.07135	5.9
216.07899	30.0
217.08606	6.2
218.09247	0.4
229.08676	1.3
231.10246	21.3
232.10686	1.0
256.03732	0.5
284.03207	0.6
298.04761	1.1
299.05533	0.5
313.07068	0.9
314.15353	0.4
325.07172	0.7
325.10785	0.5
335.09250	0.9
336.10141	0.8
350.11551	0.6
351.12811	0.5
353.10330	7.3
354.10645	0.7
367.12067	0.8
368.12634	11.7
369.13138	0.6
383.15015	100.0
384.10538	0.6
384.15341	9.3
587.21484	9.2
587.30621	0.4
588.21655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.8
61.98821	0.6
65.00320	0.7
71.01400	0.9
71.55410	0.4
73.02956	0.5
87.00861	0.8
87.83622	0.3
89.02441	0.3
93.03477	0.4
100.40036	0.3
101.02447	0.4
109.06579	0.6
110.36311	0.3
112.98819	1.0
116.92836	0.7
121.02986	0.6
121.74174	0.4
122.73601	0.4
123.00887	1.4
124.01650	0.6
131.05019	0.4
133.02962	0.4
133.06586	1.4
135.04579	0.5
137.02393	0.6
138.03143	0.4
147.08153	1.1
148.01642	0.9
149.01094	0.4
149.02420	2.6
150.03244	2.2
151.07671	2.7
159.04512	0.4
161.02444	0.6
161.06042	0.4
162.06824	1.1
163.00401	1.9
164.01155	1.2
165.05554	1.6
165.12895	0.3
171.10252	1.3
173.06128	0.4
175.00377	2.9
175.04050	0.8
175.07690	0.5
176.01132	3.0
177.01945	5.6
177.05580	0.3
181.05078	0.9
189.02036	0.6
189.05589	1.1
190.02682	1.4
190.06328	2.4
191.03442	0.4
191.07118	5.8
192.07518	0.6
197.11829	0.9
199.07547	2.2
201.01988	0.6
203.03436	0.8
205.05049	0.6
209.05945	0.4
211.03943	0.4
214.02660	1.1
216.00636	0.8
216.04227	0.4
217.04991	0.7
218.05910	0.4
219.06627	2.6
225.05504	0.5
227.03539	0.6
229.05098	0.8
231.02969	0.7
232.03767	0.9
239.03511	0.5
241.05006	0.4
243.02846	0.5
243.06606	0.6
244.07387	0.4
246.05255	0.5
253.04942	0.4
253.09148	0.6
255.03040	0.6
257.04602	0.4
269.04562	0.7
271.02600	0.4
279.02963	0.8
280.10873	0.4
281.04407	0.7
291.19604	2.1
295.09543	0.5
297.04028	1.3
299.01953	0.7
300.02728	1.6
300.10068	0.9
305.65726	0.3
307.02487	0.6
309.07541	0.4
311.09244	1.8
313.03421	2.0
314.04367	0.6
314.15326	0.4
315.12250	1.4
323.09476	0.9
324.02625	0.5
324.10083	2.0
325.03534	17.0
326.03790	0.7
339.04865	1.9
339.12134	0.7
351.08493	0.5
351.12442	1.4
353.06659	1.3
367.08136	3.2
368.04340	0.8
368.08994	14.1
369.09372	1.1
381.09329	0.4
382.10477	0.4
383.11273	100.0
384.11682	8.2
384.15540	0.3
516.64624	0.4
527.15656	1.9
545.16827	0.4
587.17609	23.8
588.17615	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	587.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98822	0.4
64.25542	0.2
65.00323	0.9
68.99821	0.5
69.40781	1.1
69.41215	1.0
71.01399	0.7
72.99306	0.3
73.02946	0.5
76.67124	0.3
85.02965	0.4
87.00912	0.4
93.03465	0.4
101.02457	0.7
104.09887	0.2
107.05040	0.3
108.02135	0.3
109.02946	0.6
109.06601	0.6
112.98825	0.7
119.01456	0.3
119.04948	0.2
123.00873	0.8
124.01638	0.5
125.02464	0.3
131.01392	0.4
133.03053	0.4
133.06557	1.6
135.04591	0.4
137.02467	0.7
145.02940	0.3
147.08174	1.2
148.01672	1.2
149.02458	2.4
149.06096	0.6
150.03229	0.6
151.07664	2.1
157.07869	0.3
160.01643	0.4
160.55063	0.3
161.02466	0.5
161.06097	0.4
161.13011	0.3
162.06898	1.1
163.00385	1.7
163.03989	0.5
163.07634	0.4
164.01115	1.0
171.10254	0.3
172.05325	0.3
173.06065	0.5
174.95129	0.3
175.00371	2.8
175.04018	1.1
175.07616	0.6
176.01144	3.8
177.01936	4.6
179.03416	0.6
181.05063	0.9
181.06613	0.3
185.06064	0.4
187.03996	0.3
188.04733	0.3
189.01881	0.8
189.05608	0.7
190.02728	1.6
190.06339	2.6
191.03435	0.6
191.07135	5.3
192.07539	0.6
193.08710	0.5
197.11908	0.5
199.04008	0.5
203.03456	0.7
203.07230	0.6
205.05081	0.6
209.06100	0.5
209.26056	0.3
211.04039	0.4
213.01872	0.4
214.02769	0.8
216.00652	0.7
216.07912	0.4
217.01378	0.4
217.05080	0.9
218.02028	0.3
218.05835	0.5
219.02991	0.3
219.06601	3.3
225.05545	0.4
227.03506	0.7
229.05098	0.7
231.03003	0.8
232.03761	0.8
233.15550	0.4
235.04364	0.3
239.03349	0.4
241.05208	0.6
243.02960	0.6
245.04488	0.4
251.03386	0.3
253.04999	0.7
253.09187	0.6
254.20750	0.3
255.03012	1.2
256.03769	0.3
257.04388	0.4
258.01834	0.4
267.02908	0.3
268.03784	0.3
269.04614	0.7
270.05121	0.5
271.02338	0.3
273.70297	0.3
279.03149	0.5
281.04562	0.7
281.08041	0.4
282.01785	0.3
283.09790	0.4
285.04196	0.6
291.19629	2.4
295.09839	0.4
296.03241	0.4
297.04099	1.0
299.01953	0.6
300.02777	1.7
300.09940	0.6
307.02374	0.6
309.03973	0.4
309.07578	0.3
311.09210	1.3
312.09982	0.4
313.03577	1.9
314.04041	0.3
315.12350	1.1
321.04214	0.4
323.09244	0.8
324.02695	1.3
324.10071	1.6
325.03516	14.1
326.03897	0.9
327.05035	0.6
339.05130	2.6
339.08749	0.4
339.12335	0.7
350.08072	0.8
353.06546	0.8
365.10312	0.8
367.08130	4.0
368.08990	14.1
369.09457	1.2
381.09836	0.6
382.10587	0.7
383.11331	100.0
384.11618	7.9
527.15613	0.8
587.17676	26.4
588.18225	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47108	0.8
58.05204	0.9
59.01380	13.0
61.98830	22.1
66.68828	0.8
68.99799	1.2
69.54000	1.9
69.54401	5.4
71.01386	4.0
72.99314	5.0
73.02960	1.8
84.99335	4.7
87.00874	12.2
89.02451	2.7
93.03465	1.7
98.20633	0.9
99.00901	1.4
101.02445	2.8
103.00423	1.5
104.40979	0.8
106.61633	0.9
109.02974	4.0
112.98813	55.8
113.02446	2.5
117.03449	1.9
119.05026	100.0
120.05378	2.1
121.02962	4.7
123.04439	1.0
130.99887	1.1
131.04994	1.2
132.05800	1.9
133.06589	8.0
134.03755	1.8
135.04517	17.5
137.02443	2.8
139.00313	1.2
145.02943	6.6
147.04526	9.5
149.00925	10.8
149.04579	1.4
159.04541	1.4
161.02451	3.3
161.06076	15.2
163.04008	95.9
164.04320	4.4
174.03242	1.5
177.05519	1.5
179.03496	12.1
180.03825	1.2
191.03593	1.1
205.05063	29.6
206.05351	1.3
219.02823	1.3
244.45645	1.0
267.06635	1.5
269.08206	4.5
270.08817	1.0
280.03680	2.0
293.03046	1.9
295.06140	5.4
296.06726	2.4
301.11865	1.2
325.09326	9.4
349.14438	1.4
383.11084	1.4
393.08182	2.4
393.13153	1.3
411.14166	2.2
429.39676	1.1
437.12430	4.2
455.13568	10.2
455.19244	1.3
455.30731	1.0
587.17090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09821	2.3
59.98553	2.5
61.36531	2.8
61.98833	100.0
69.34016	12.9
69.34442	11.6
78.95913	20.1
80.96526	6.4
82.96084	6.9
86.83834	3.2
88.33781	3.0
90.70291	2.3
91.76601	2.6
94.53344	2.9
96.96980	3.0
108.08152	2.9
152.99612	13.9
171.10294	14.0
203.37154	2.7
279.23285	21.0
307.09528	3.4
318.33475	2.7
415.22427	7.1
433.23294	3.1
586.31921	27.7
587.32367	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	587.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54842	1.1
54.62963	1.1
59.01380	4.1
59.52619	1.1
61.98818	2.0
69.84196	7.2
71.01386	2.9
72.99298	2.0
77.72221	1.1
77.85333	1.1
83.01401	1.2
86.88847	1.1
96.96004	4.5
98.19941	1.9
108.02171	3.2
109.02954	8.8
111.00860	1.4
119.04989	2.1
121.02995	2.0
123.04489	2.4
125.02452	3.3
133.02936	4.1
135.04544	11.3
137.02431	2.4
145.02921	1.7
147.04553	12.9
148.05310	6.6
148.91658	1.1
149.00941	2.0
149.02396	1.2
149.06093	24.7
150.03204	2.8
150.06483	1.4
151.03984	2.3
152.01187	2.7
159.04517	3.5
160.04053	12.5
161.02444	4.8
161.06052	10.9
162.03235	1.9
163.03998	5.8
163.07576	2.6
163.19460	1.0
165.05569	2.0
165.42876	1.2
173.06100	7.1
174.03191	3.5
175.04015	14.5
176.04750	6.0
177.01871	2.7
177.05533	3.2
179.03441	4.4
179.07054	1.2
185.04510	2.0
187.04016	1.7
189.05579	28.4
191.03548	2.3
191.07120	8.8
192.07498	1.2
193.05075	3.1
201.05592	1.3
203.03448	1.2
203.07132	3.8
205.05042	5.5
207.06609	1.9
217.05025	19.8
219.02979	7.5
221.04514	4.5
235.06084	12.6
237.04085	9.3
247.06192	1.2
247.09822	1.9
251.09283	1.6
277.07233	2.5
279.04999	5.7
295.08194	10.2
323.12717	1.2
329.88489	1.3
339.07196	100.0
340.07584	7.4
342.80194	1.3
366.08139	4.4
367.15622	1.8
381.08231	2.1
455.13263	1.4
483.11322	3.3
543.13330	9.7
544.13892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.4
59.01377	4.5
61.98832	100.0
70.22573	0.5
70.22969	0.5
70.28225	0.2
70.67898	0.2
71.01385	2.1
72.99320	0.8
73.02960	1.0
75.00878	0.2
78.30730	0.2
78.95914	0.3
83.01406	0.4
85.02948	1.0
87.00889	2.9
88.98811	0.3
89.02449	1.2
93.03458	0.4
96.96027	0.3
98.00541	0.2
98.19907	0.2
99.00862	0.6
99.04532	0.5
101.02456	0.9
103.00390	0.8
103.67290	0.2
107.05016	0.4
108.02200	0.4
109.02948	1.4
111.00938	0.3
112.98826	1.5
113.02477	0.8
116.92815	0.3
119.05033	0.6
121.02947	0.3
122.06188	0.2
123.04497	0.4
125.02492	0.6
128.03542	0.3
130.99883	0.4
131.03525	0.3
133.02962	0.9
134.03773	1.2
135.04536	5.2
137.02467	0.8
139.00374	0.3
144.79608	0.3
145.02974	0.6
146.08316	0.3
147.04517	0.5
149.00940	3.6
149.02316	0.5
149.04581	0.6
149.06096	1.4
150.03201	0.5
151.03979	0.3
152.01195	0.6
153.01907	0.4
159.04504	0.6
161.02469	1.4
161.04610	0.5
161.06052	0.3
163.04018	1.0
164.95024	0.3
165.05547	0.5
175.04047	0.6
176.04822	0.3
177.01929	0.3
177.05377	0.3
177.09187	1.2
178.02585	0.3
179.03487	3.3
187.03902	0.3
187.07663	0.6
192.04117	0.3
193.05180	0.3
195.06723	0.3
202.06476	0.3
203.03505	0.5
205.05142	0.3
205.08737	0.9
219.03011	0.7
223.13518	0.3
229.08638	0.4
231.10388	0.7
233.08415	0.3
249.11325	3.0
267.06970	0.4
268.07056	0.3
269.08237	0.7
275.09293	0.3
292.12027	0.4
292.84564	0.3
293.03000	1.2
293.10400	0.4
297.04138	0.3
335.11411	0.5
349.14633	0.3
356.19006	0.2
366.14282	0.7
369.39120	0.2
380.15790	0.4
393.13571	0.7
397.68732	0.2
399.09232	0.2
410.13586	0.3
411.14481	0.8
425.10812	1.6
436.11377	0.3
455.13382	1.5
461.60147	0.2
463.02322	0.3
526.35858	0.3
586.21985	0.4
587.26654	0.4
596.94025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85460	0.2
59.01382	1.3
61.98821	0.3
70.18539	0.6
70.18928	0.4
78.95897	0.5
91.05557	0.3
93.03458	0.9
98.19990	0.2
109.79471	0.2
117.03503	0.3
119.05022	100.0
120.05367	3.2
158.48196	0.2
163.04004	69.3
164.04332	2.3
171.10237	0.2
205.04933	0.2
277.21750	0.4
295.82794	0.2
296.84778	0.2
405.72690	0.2
585.19659	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46792	1.1
59.01384	11.8
59.77133	1.3
61.98832	100.0
71.01382	5.0
71.61184	1.3
71.61652	2.1
72.47437	1.2
72.64445	1.4
83.87023	1.1
85.02950	2.4
87.00884	2.4
96.47207	1.4
98.76632	1.2
101.02444	5.3
112.98807	3.6
113.02422	2.9
116.92865	2.1
133.02971	4.3
134.03787	3.6
135.04530	14.2
136.04820	1.6
137.02448	2.9
139.03998	1.8
149.00899	1.4
150.03181	1.5
161.02444	32.1
161.04474	2.2
165.05621	1.3
171.10251	1.9
179.03461	7.5
195.57893	1.4
215.02818	1.3
216.08057	1.4
235.23058	1.3
287.22208	2.0
314.15182	1.7
383.15134	6.6
431.24463	11.5
442.49969	1.3
449.25366	5.5
485.97293	1.7
504.91525	1.3
523.29114	64.1
524.29376	5.1
544.28650	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	584.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57767	0.7
59.01384	3.3
61.98830	100.0
64.84112	0.5
70.21734	2.4
71.01422	1.0
77.59720	0.7
79.95750	1.2
80.96516	8.9
93.96617	0.6
94.98093	2.3
164.98642	1.1
225.00838	1.5
330.36807	0.7
381.75681	0.7
548.11957	1.7
584.31879	18.3
584.40961	1.1
585.31750	2.8
611.34332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16307	3.9
54.44392	3.6
57.03443	14.8
59.01381	100.0
61.98829	14.0
71.01386	31.5
72.99316	5.4
73.02950	11.7
75.00867	3.4
83.01385	3.9
83.86737	3.3
85.02943	8.8
87.00873	8.5
89.02435	8.5
94.74864	3.3
99.00907	5.5
99.04526	4.3
101.02446	20.4
101.03078	3.4
109.02969	8.6
112.98817	9.9
113.02467	9.7
115.92052	9.8
116.92891	26.3
117.92870	4.6
119.03515	4.7
119.05016	8.0
133.03004	5.1
134.03749	8.7
135.04500	8.4
137.02417	3.9
141.35486	3.6
145.02962	6.2
146.03702	11.7
149.00902	5.3
154.02893	3.2
159.04460	6.2
161.04565	4.4
163.04108	6.4
177.01941	5.1
178.02472	3.2
179.03473	5.2
201.37875	3.7
209.06029	3.4
241.63641	3.3
247.20622	18.2
267.06503	12.1
268.07489	6.2
315.16913	3.7
326.56418	3.6
334.29254	3.7
337.23825	80.6
338.24179	5.3
458.08560	3.6
481.27863	4.4
488.05701	4.6
499.29617	4.2
541.22760	6.0
541.30225	71.8
541.38098	7.1
542.30426	9.5
585.16016	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	584.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96290	0.4
55.01886	0.7
57.03450	0.5
59.01376	6.3
61.41573	0.4
61.98819	3.1
62.10993	0.5
70.21379	1.8
71.01382	4.0
72.99305	0.9
73.02945	1.1
83.56842	0.5
84.04537	0.9
85.02953	1.9
87.00894	0.9
89.02442	1.1
95.01398	0.7
97.01722	0.5
98.19915	0.7
99.00851	0.7
99.04545	0.5
101.89176	0.5
108.02177	52.4
109.02968	14.8
110.02454	0.7
112.04048	10.8
113.02452	1.2
119.05035	0.9
121.02996	0.8
122.03782	0.5
122.06116	1.7
123.00892	0.9
123.04530	0.9
124.01640	0.5
124.04046	10.9
125.04380	0.4
125.09724	1.3
133.02988	0.6
134.03694	0.5
135.04524	1.4
140.07173	4.3
149.99574	0.6
150.03198	0.8
151.00211	0.6
151.03995	1.2
152.01152	100.0
153.01840	4.4
156.92828	0.4
163.03987	2.7
165.05573	0.8
166.05048	2.2
167.03450	0.9
168.00610	1.1
169.01015	0.8
175.04024	0.6
177.01941	1.1
179.03488	1.0
184.04596	0.9
184.06148	13.2
185.06570	0.4
187.09711	1.2
188.07181	0.6
193.05046	1.2
207.02986	0.9
241.07126	1.9
258.07510	0.6
267.05237	0.7
285.06226	1.7
312.99817	0.5
373.11420	0.6
399.09314	27.2
400.09555	1.5
417.10397	26.6
418.10669	1.9
444.35550	0.5
486.70435	0.5
532.35962	0.5
537.22028	0.6
584.16199	85.4
585.16321	9.3
585.24481	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56609	0.2
57.03453	0.3
59.01380	3.3
61.98832	100.0
68.69032	0.2
69.34194	0.3
69.34600	1.6
71.01385	1.0
72.99323	0.5
85.02945	0.4
85.63085	0.2
87.00883	1.2
89.02464	0.6
96.95996	1.3
99.04514	0.3
99.92613	0.4
101.02477	0.7
103.00359	0.4
105.23600	0.2
108.02201	0.3
109.03001	0.5
112.98837	0.8
113.02448	0.6
116.92883	1.5
119.05029	0.5
121.02970	0.4
125.02422	0.3
133.03024	0.2
134.03773	0.4
134.06134	0.3
135.04547	1.8
137.02472	0.4
149.00934	1.2
150.03235	0.7
151.00331	0.2
152.01170	0.3
159.04524	0.2
161.02461	0.9
161.04631	0.3
163.04042	0.7
165.05576	0.6
177.05772	0.2
179.03484	1.1
193.05148	0.3
195.06624	0.4
199.81076	0.2
215.07283	0.3
234.87476	0.2
267.06738	0.6
293.03104	0.5
365.14185	0.3
409.12741	0.5
453.11758	0.3
524.35101	0.9
549.29327	0.6
584.11475	0.4
585.05634	0.3
585.27350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71684	1.7
57.03450	2.9
58.44359	1.6
59.01379	55.0
59.27553	1.7
61.98837	59.7
67.30868	1.8
68.99819	1.8
71.01387	15.9
72.99313	7.1
73.02589	1.6
73.02939	10.9
75.00887	2.3
83.01389	2.5
85.02946	3.9
87.00883	8.1
89.02469	5.3
96.96014	5.0
99.00859	3.1
101.02438	10.9
103.00368	3.8
105.03460	1.7
109.02979	3.3
112.98827	25.6
113.02470	6.6
113.06065	2.8
115.92116	1.9
116.92872	5.5
119.05023	4.9
121.02955	5.2
132.02187	1.9
133.02980	2.9
134.03743	18.8
135.04532	9.4
137.02444	3.8
149.00961	5.3
149.02409	1.9
149.06131	4.2
150.03177	1.8
156.57483	1.7
159.02937	1.5
160.01654	3.0
161.02414	5.9
161.04694	2.0
162.03137	2.1
163.03983	7.1
166.76924	1.6
175.04021	5.6
177.05576	1.9
178.02696	4.1
179.03488	4.7
187.11273	2.7
190.02684	2.0
193.05093	8.4
219.02995	2.0
233.04584	5.9
249.14966	77.8
250.15347	5.6
275.09195	1.9
307.04617	10.3
335.22266	100.0
336.22592	7.8
338.36325	1.7
391.27704	1.7
399.19003	1.8
450.44528	1.6
450.51520	2.3
506.21317	2.1
517.69342	2.1
539.28729	13.0
583.22687	2.2
583.32739	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	583.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45234	0.4
54.21529	0.4
59.01379	1.8
59.84446	0.4
63.96244	0.9
71.01386	6.4
73.02952	1.6
73.93061	0.5
78.33651	0.5
78.98594	5.6
79.95738	9.5
80.96519	67.6
81.03464	0.5
85.02942	3.1
87.00874	3.5
94.98085	16.0
95.11619	0.5
96.95988	1.2
97.02975	1.2
101.02426	2.9
106.98109	3.1
122.97617	2.8
125.02462	2.8
127.04059	0.8
134.97577	4.7
136.99203	1.0
148.99155	5.3
152.98653	5.5
164.98619	13.7
188.98532	0.5
206.99709	2.5
225.00743	15.4
238.77074	0.5
265.74045	0.6
283.26453	2.0
296.33963	0.5
299.04413	3.0
348.94714	0.5
583.31555	100.0
584.31921	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	584.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
57.03453	0.7
59.01375	7.4
61.98832	6.1
68.02522	0.5
69.03455	0.5
69.41759	4.1
70.02974	0.5
71.01380	5.5
72.99308	0.9
73.02934	1.1
81.03429	0.5
83.01421	0.5
84.04539	0.9
85.02970	2.3
87.00891	1.2
89.02437	1.2
93.03442	0.6
94.02986	0.5
95.01377	1.0
95.05048	0.7
96.95983	0.5
97.01700	0.6
98.19865	0.8
99.00893	1.1
99.39534	0.6
101.02426	1.3
108.02174	50.2
109.02320	0.9
109.02972	14.8
110.02485	0.7
110.03259	0.5
112.04047	10.9
113.02464	1.1
119.03560	0.6
119.05032	1.3
121.02928	1.1
122.03709	0.7
122.06147	1.6
123.00879	1.3
123.04523	1.3
124.03175	1.0
124.04033	10.3
124.04948	0.5
125.02496	0.5
125.09760	3.0
133.02989	0.8
134.03719	1.6
135.04576	2.2
137.02432	1.2
140.07196	4.0
145.02930	0.8
149.00920	1.3
149.02434	1.4
149.06186	0.6
150.03255	2.4
151.04054	2.2
152.01151	100.0
153.01892	4.3
160.04001	0.5
161.02406	0.7
161.14233	0.4
163.04007	3.2
165.05565	2.3
166.05051	2.7
167.03506	1.1
168.00621	1.3
175.04013	0.5
177.01878	1.0
178.02672	0.9
179.03442	2.7
184.06139	11.5
185.06558	0.7
187.09782	2.2
188.07208	1.7
193.05000	2.5
195.06631	1.1
219.03014	0.5
219.15170	0.5
230.25717	0.4
235.45178	0.5
241.07149	1.4
258.07703	0.9
267.05209	1.1
285.06229	1.1
349.11206	0.5
361.83398	0.5
399.09302	23.4
400.09634	1.6
417.10333	23.8
418.10760	1.8
537.19299	1.0
544.07501	0.5
584.16193	82.9
585.15967	9.2
585.25049	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	583.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13401	1.4
59.01381	32.6
61.98831	46.8
71.01377	8.2
72.99313	3.1
73.02963	7.8
76.07395	1.5
83.01392	2.2
83.05068	1.8
85.02946	2.2
87.00890	4.7
89.02469	1.9
96.96023	6.4
98.20670	2.6
101.02445	5.9
103.00404	1.9
111.09129	1.4
112.98820	11.8
113.02451	3.6
113.05321	1.4
113.06096	1.7
116.92865	3.5
117.03498	1.9
119.05042	3.2
121.02947	4.7
131.00066	1.6
133.02977	3.4
134.03761	10.2
135.04547	8.2
137.02368	2.0
149.00938	4.0
156.57469	1.5
159.04424	1.7
160.01620	2.3
161.02438	3.2
163.04062	4.6
175.03960	2.8
178.02716	2.4
179.03502	3.6
193.05020	4.3
233.04526	5.4
249.14957	63.8
250.15378	5.4
263.16449	1.9
272.76135	1.9
307.04639	5.3
335.22281	100.0
336.22620	7.1
377.23300	2.1
484.82602	1.8
518.36804	1.6
539.28558	4.2
583.31873	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	583.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12623	1.0
55.01872	0.9
57.03447	1.9
58.00586	0.9
59.01381	57.9
61.98829	8.6
62.37764	1.0
69.34573	1.8
69.34975	7.9
69.69395	1.1
71.01389	16.0
71.83974	1.0
72.99310	2.6
73.02951	7.2
77.05752	1.0
83.01373	2.9
85.02953	7.9
87.00879	4.5
89.02446	6.9
95.01379	1.8
96.96003	2.0
99.00892	2.6
101.02448	11.6
109.02906	1.5
112.98811	9.3
113.02462	4.9
115.92069	1.2
116.92883	5.8
117.03427	1.2
119.03529	1.4
133.02919	1.4
134.03728	8.5
135.04486	3.4
137.02406	3.8
149.00928	2.0
149.04562	1.2
149.06093	1.6
160.01625	1.3
161.02466	1.1
162.03198	1.5
163.03964	1.2
175.04027	2.7
176.72574	1.0
178.02596	2.4
179.03438	2.0
193.05005	3.7
233.04561	4.2
307.04355	6.0
308.71707	1.0
309.49988	1.0
335.22375	1.7
451.27295	1.3
497.27362	4.1
539.28613	100.0
540.29108	12.5
568.42383	1.2
583.24170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98835	4.9
69.35525	1.6
69.35941	5.5
71.01383	5.6
72.99317	2.4
73.02951	3.9
78.95940	0.9
81.03469	1.7
83.01386	1.9
85.02962	1.5
87.00893	2.1
89.02432	2.1
96.96020	1.2
98.19841	1.5
99.00883	0.8
101.02459	3.8
106.71703	0.9
112.98815	12.3
113.02470	1.8
116.92792	0.9
117.36189	0.8
119.03510	1.1
121.02981	0.8
133.02954	1.2
134.03741	11.0
135.04518	3.1
137.90048	0.7
143.99179	0.7
149.00893	1.2
149.06049	2.4
150.03296	0.8
159.04488	1.1
160.01674	2.1
161.02441	1.9
161.04591	1.3
162.03287	1.6
163.03915	1.3
171.10310	1.8
175.03976	2.0
178.02696	2.2
179.03546	1.3
193.05077	6.5
209.11768	1.3
219.17528	18.0
220.17845	1.1
233.04526	5.4
245.04581	1.2
261.22189	1.7
269.62198	0.9
273.22174	4.6
291.23334	4.1
307.04651	8.3
307.70871	0.9
309.20624	0.9
317.21378	1.3
335.22348	16.1
336.22708	1.3
377.23495	1.1
539.28546	3.3
540.28516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
56.46196	0.8
57.03432	2.6
59.01384	14.9
61.98830	30.6
67.58968	0.6
69.03441	3.3
70.44363	0.7
71.01382	6.9
71.61933	1.5
72.99309	2.0
73.02949	2.0
75.00886	1.1
83.01390	1.0
85.02939	3.4
85.91225	0.8
87.00859	2.8
89.02438	2.5
93.03455	1.9
95.01385	1.7
96.96010	2.1
97.02933	1.3
99.00908	1.1
101.02448	3.7
103.00376	0.9
108.02181	48.0
109.02982	10.8
112.98792	2.2
113.02446	2.6
119.03467	0.8
119.05024	1.8
121.02951	2.4
122.03722	3.0
123.00866	1.5
123.04566	1.2
125.02419	1.2
133.02997	1.2
134.03722	2.1
135.04558	7.7
137.02386	1.4
139.11282	2.2
145.02924	1.3
146.94153	0.8
149.00909	3.0
149.02422	7.5
149.06090	1.2
150.03233	20.0
152.01161	97.8
153.01947	5.1
159.04497	0.8
160.01561	1.0
161.02391	2.6
161.04488	1.1
163.03992	4.6
164.04823	1.2
165.01961	1.5
165.05569	21.4
166.05934	0.9
175.03941	2.4
176.90413	0.8
177.01965	1.8
177.05553	1.1
179.03470	4.0
180.04266	1.6
181.04893	0.8
183.10223	1.6
193.05057	1.3
195.06633	12.5
219.03017	0.9
223.06090	0.9
225.07472	1.0
235.44589	0.7
241.07213	1.8
285.06302	0.8
314.40695	0.8
323.09219	0.9
327.08630	1.9
339.08557	2.9
342.11118	1.1
357.13602	5.0
369.13370	5.8
399.09308	16.0
400.09302	0.8
417.10452	8.1
505.18726	1.7
522.33435	1.6
523.34741	5.2
535.19794	9.1
536.19666	1.8
583.20288	100.0
584.20612	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	583.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07259	0.7
57.03450	1.4
59.01382	16.8
60.01715	1.1
61.98832	37.6
68.40275	0.6
68.99761	0.8
69.03457	0.7
71.01382	6.2
71.62144	1.0
72.99309	3.4
73.02953	2.2
81.03435	0.7
82.10381	0.8
83.01379	1.5
85.02943	4.2
87.00879	2.5
89.02461	2.2
93.03472	1.3
95.01393	1.7
96.96034	2.0
99.00878	1.1
101.02450	2.9
103.00398	1.4
108.02177	54.4
109.02976	12.7
110.03259	0.7
112.98816	2.8
113.02457	1.8
116.92854	2.1
119.03506	1.3
119.05035	3.4
121.02959	2.3
122.03761	1.5
123.00896	1.2
123.03309	0.9
123.04507	1.4
125.02472	0.9
128.03635	0.9
133.02969	2.2
134.06117	4.5
135.04555	7.7
135.06435	1.2
136.01689	1.2
137.02452	2.0
138.05621	1.5
145.02960	1.5
149.00937	3.3
149.02396	3.5
149.06079	0.7
150.03217	11.1
151.00374	1.2
151.04016	2.3
152.01157	100.0
153.01904	4.9
160.04048	1.2
161.02429	3.1
163.04050	5.1
164.04852	0.7
165.01915	1.4
165.05571	11.2
167.03506	0.8
175.04031	1.9
177.01859	1.8
177.87361	0.7
179.03468	4.8
180.04279	1.6
189.05479	1.0
192.06630	1.3
193.05072	1.2
193.06847	0.8
195.06631	6.9
219.02885	0.7
241.07227	2.6
270.55252	0.7
285.06158	1.2
287.15302	1.0
307.11118	1.1
308.11240	1.5
339.13376	2.2
340.13791	4.0
353.02298	0.9
357.13531	2.3
363.12323	1.5
367.12579	0.9
368.13498	2.1
387.14520	1.8
399.09296	15.3
400.09854	0.9
400.15604	1.2
417.10367	29.2
418.10818	2.3
507.19138	1.4
522.33356	1.9
523.34253	3.7
535.19696	2.8
551.18512	1.4
583.20282	88.0
584.20709	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	583.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.8
61.98809	1.2
62.96397	1.2
69.54523	4.2
69.54936	2.8
71.01380	1.8
78.95904	100.0
80.96524	2.3
93.83821	1.0
95.27074	0.9
96.96974	6.1
99.92580	11.0
100.93365	1.4
115.92080	41.2
116.92136	1.9
116.92861	26.9
120.96913	1.2
134.98602	1.4
150.98026	4.8
152.99594	36.6
163.89722	1.6
164.90506	2.0
169.36455	1.0
171.00603	5.9
172.81320	1.2
172.95485	6.6
178.88455	8.1
179.89217	31.2
180.90019	23.5
181.90793	2.7
194.87907	2.8
196.89482	44.1
197.89439	2.8
204.90079	2.1
205.90724	3.6
206.91470	2.5
208.89493	1.2
234.90982	2.0
235.91835	8.9
236.92603	23.6
237.92720	1.8
249.58133	0.9
252.92075	3.7
255.23289	9.3
270.93097	2.8
277.21698	3.7
278.93637	2.5
309.95377	1.9
333.55783	1.3
409.23721	1.3
435.12527	1.5
475.15573	7.9
483.26398	1.2
492.15964	8.1
493.16281	1.1
535.17725	6.1
536.17633	1.2
547.17688	5.9
582.30377	2.4
583.19867	94.8
584.20197	12.9
607.40344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72054	1.8
57.03435	2.0
59.01382	66.5
61.98834	8.8
62.53430	1.7
63.28967	1.6
68.99786	3.9
70.05049	6.9
71.01391	11.4
72.99315	13.0
73.02950	4.2
78.95892	2.0
83.01379	1.7
84.99306	7.9
85.02951	5.6
87.00887	16.8
89.02445	3.9
89.04005	2.4
95.01376	1.9
96.96004	4.5
97.06590	1.8
99.00875	3.8
99.92578	3.0
101.02441	7.9
101.94420	1.6
103.00354	3.0
103.75638	1.7
105.03455	1.9
108.02169	3.9
111.00858	2.6
112.98813	100.0
113.02435	4.4
115.92043	2.9
116.92850	12.6
117.03466	6.9
119.05029	3.2
121.02934	3.1
123.04612	1.9
127.00374	7.1
132.02118	3.1
133.02965	9.0
134.03743	87.7
135.04568	17.1
136.01671	4.4
137.02419	5.5
139.00458	1.8
147.04495	3.5
149.00874	2.2
149.06091	20.8
160.01691	19.3
161.02461	14.2
161.04550	2.2
162.03241	16.7
163.04001	11.4
171.04399	2.3
173.02466	2.6
175.04022	26.3
176.04654	2.8
177.05571	5.8
178.02708	15.5
178.06308	5.6
179.03526	3.7
186.03189	2.9
190.02721	10.7
191.03326	2.4
191.07143	4.1
193.05048	57.8
193.08710	9.5
199.03984	7.0
200.04793	5.2
200.24863	1.8
202.02718	5.6
203.03471	2.8
204.04204	4.1
205.05042	11.2
215.07129	3.3
218.02225	3.5
219.03085	4.1
220.03755	3.0
230.02171	6.8
231.10164	4.1
233.04532	58.3
234.04918	3.2
235.06158	4.8
243.06564	3.9
245.04555	7.1
248.03218	9.2
250.01277	2.0
257.08301	2.4
261.22256	10.4
263.05603	2.2
273.22244	5.6
275.09326	9.5
289.03613	7.2
291.23395	2.4
292.02240	4.6
301.86334	1.7
307.04590	76.1
307.66977	2.0
308.04980	3.6
317.10263	6.2
335.22287	47.9
336.22681	2.9
389.08862	4.8
583.14441	2.6
583.22382	2.4
583.34875	6.9
584.28986	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	582.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66919	0.4
61.98832	100.0
71.01393	1.3
71.16593	0.8
71.16914	0.5
75.50260	0.4
78.98606	1.2
79.95348	0.5
79.95717	2.6
80.96519	13.6
85.02981	0.5
87.00932	0.4
94.44692	0.5
94.98087	3.0
106.98107	0.5
112.10046	0.4
134.97568	0.8
148.99149	0.9
152.98648	0.8
164.98656	2.1
179.80411	0.4
196.11873	0.4
206.99748	0.7
225.00671	2.7
251.76552	0.5
266.22522	0.5
283.26440	0.6
284.26898	0.5
397.19931	0.5
583.31549	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	583.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19667	0.6
57.03444	0.8
59.01380	5.2
61.98829	4.1
65.00331	0.6
68.66289	0.5
71.01376	2.8
71.61130	0.7
72.99310	1.8
73.02959	0.9
83.01387	1.0
85.02977	0.9
87.00895	2.2
89.02440	1.0
91.01908	2.2
95.01363	3.1
96.96007	1.6
97.02964	0.7
99.00860	0.5
99.44187	0.5
101.02469	1.4
107.01447	0.6
108.02184	2.5
109.02976	1.3
110.73763	0.6
113.02455	1.1
119.05009	0.7
119.96880	0.5
121.02997	0.7
123.00176	0.4
123.00891	11.9
123.04529	7.6
124.01674	32.5
125.02464	13.9
135.04526	1.3
137.02443	1.2
138.05606	0.7
148.49467	0.5
149.00987	1.0
149.02383	1.1
149.04491	0.6
149.99593	49.6
151.00310	2.4
151.04007	0.9
152.01146	3.9
153.01805	0.8
160.04024	0.5
161.02373	0.8
163.04016	1.5
165.01973	0.6
165.05574	1.1
166.99872	0.7
167.03511	11.3
168.00647	94.7
169.01390	6.7
172.52460	0.6
179.03517	2.0
191.03363	0.6
193.01320	0.8
193.05252	0.5
195.02975	0.6
195.06625	0.7
197.04495	0.7
205.74139	0.6
231.06456	0.6
239.05576	1.6
301.05692	2.4
353.10153	0.7
353.83014	0.6
415.09042	1.6
433.09662	1.5
490.55148	0.6
503.12228	2.0
523.27734	1.5
583.13055	100.0
584.13263	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	582.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13262	0.2
58.37505	0.2
59.01391	1.3
61.98832	100.0
71.01387	0.9
71.61379	0.2
72.99317	0.5
73.02940	0.3
87.00893	0.7
89.02418	1.0
90.98711	0.2
93.03403	0.2
96.95948	0.2
101.02467	0.6
105.63888	0.2
108.02209	0.5
109.02962	0.6
112.98849	0.3
116.92828	0.3
119.05044	0.6
125.02441	0.3
135.00905	0.2
135.04552	1.1
136.04927	0.3
137.02489	0.2
149.00925	1.1
149.02333	0.3
149.04509	0.4
149.99614	0.3
151.04057	0.4
152.01122	0.6
153.01927	0.3
163.00407	0.3
163.04027	0.5
164.00697	0.3
168.00690	0.5
170.41008	0.2
175.04033	0.2
179.03548	0.4
187.50165	0.2
197.04597	0.3
237.36285	0.2
269.04565	1.1
270.04871	0.9
282.45615	0.2
304.70850	0.2
360.10141	0.3
386.35345	0.3
499.16733	0.3
582.15338	0.8
583.13605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.3
59.01384	2.3
61.98834	100.0
63.99256	0.4
66.17744	0.2
66.81716	0.2
69.04038	0.2
69.46531	1.5
70.01772	0.2
71.01391	1.0
72.37740	0.2
72.99324	0.4
73.02952	0.4
75.00831	0.2
83.01366	0.3
85.02974	0.7
87.00889	0.6
89.02464	0.8
91.01935	0.2
95.01409	0.3
96.96047	0.5
99.00892	0.5
101.02449	0.4
108.02186	1.2
109.02975	0.4
112.98798	0.2
114.00506	0.2
116.92847	0.4
119.05037	0.5
121.02995	0.4
123.04539	1.1
134.03743	0.3
135.04543	3.6
136.04883	1.4
137.02477	0.3
138.05653	0.3
149.00967	0.9
149.02467	0.3
149.04562	0.4
149.99586	0.3
150.03300	0.3
151.00401	0.2
151.03920	0.3
152.01178	2.0
153.05618	0.7
154.06013	0.3
161.04456	0.2
163.03984	0.5
167.03517	0.5
168.00684	0.4
175.04074	0.4
179.03499	0.6
182.00195	0.2
193.05055	0.2
195.06483	0.3
201.11385	0.3
210.77425	0.2
223.06149	0.5
224.06528	0.3
269.04688	0.5
270.04877	0.5
270.14441	0.2
359.09988	0.9
360.10419	0.8
399.09192	0.4
417.10303	1.6
450.20950	0.4
460.11777	0.2
582.15955	1.2
583.13300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93542	0.2
53.53913	0.2
57.13922	0.3
59.01379	100.0
60.01718	0.8
66.60622	0.3
69.31829	2.4
71.01384	0.3
76.64732	0.2
83.63005	0.3
98.20652	0.7
139.39108	0.3
277.21725	4.7
278.22055	0.4
289.87866	0.2
291.23456	0.6
342.49130	0.3
403.52371	0.3
558.12531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32567	13.4
61.98844	20.0
67.28001	13.3
69.55321	100.0
88.54762	12.6
92.88305	13.4
104.16460	12.9
117.76941	14.8
131.16983	13.3
132.49185	14.6
137.03239	12.9
157.47580	12.6
366.82553	14.5
386.11243	14.2
526.67810	20.7
581.30402	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04658	0.5
54.14696	0.5
55.31256	0.5
57.03464	0.7
59.01386	5.2
61.98830	14.3
69.03442	0.7
71.01382	2.7
72.99297	1.0
73.02955	1.4
77.61928	0.4
78.64069	0.4
81.03469	0.6
85.02972	2.5
87.00903	1.4
89.02464	1.2
91.46629	0.5
95.01383	0.6
97.04853	0.4
99.00906	0.8
101.02419	1.2
103.00402	0.8
108.02175	42.5
109.02963	14.8
113.02489	0.7
119.05022	1.4
121.02933	1.1
123.00897	1.1
123.03270	10.3
123.04523	1.4
125.02398	0.5
125.64024	0.5
133.02959	1.1
134.03723	0.6
135.04524	2.0
137.02435	0.6
138.05618	24.4
149.00943	1.2
151.04051	2.3
152.01154	80.8
153.01833	3.7
163.03989	3.5
164.03519	1.7
165.01881	0.5
177.01860	0.6
178.02650	0.6
179.03450	1.6
180.04071	0.6
194.08052	0.6
195.06606	0.9
206.45607	0.7
223.06119	1.7
224.06410	0.5
241.07187	3.4
267.05139	0.7
285.06149	1.6
348.99808	0.6
399.09351	11.5
400.09833	0.9
417.10367	100.0
418.10605	6.9
482.25366	0.6
582.14600	28.8
583.14703	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	581.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22209	2.6
58.00593	2.6
59.01384	100.0
61.98823	5.8
66.61012	3.1
68.99827	3.0
69.30605	21.6
69.31020	5.3
71.01388	31.2
72.99296	5.2
73.02946	28.9
75.00874	4.0
75.12914	3.2
83.01394	7.6
85.02940	7.1
87.00880	6.9
89.02444	8.5
98.20674	6.7
99.00850	5.6
101.02451	23.5
112.98786	4.6
113.02437	16.1
121.02950	3.4
135.04543	14.0
159.16800	3.8
161.04555	6.0
171.18462	2.7
176.04507	2.9
179.03540	13.5
185.62088	2.9
211.13356	4.7
259.50897	4.1
271.20581	3.0
289.21713	42.8
290.22089	4.0
315.19629	35.6
316.19888	4.0
326.07248	3.0
331.23105	3.7
333.20728	80.2
334.21014	4.8
375.21692	11.3
481.28271	17.2
537.27087	7.4
581.24353	6.7
599.23956	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	581.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29228	0.4
55.01896	0.5
57.03447	0.6
59.01380	11.2
61.98826	0.7
63.82421	0.4
70.92848	0.7
71.01385	4.5
72.99316	0.9
73.02934	1.4
83.01387	1.2
85.02943	2.8
87.00871	6.8
89.02451	1.2
89.53834	0.4
95.01399	0.6
99.00867	0.5
99.08160	0.5
101.02430	3.2
103.00370	1.2
104.41284	0.4
112.98824	0.9
113.02423	1.2
119.03509	0.5
129.09189	0.4
130.99870	0.7
149.00960	0.8
161.04581	0.5
194.03140	0.4
269.21167	1.6
285.20724	0.4
287.22272	18.4
288.22607	0.6
431.26505	2.3
449.27536	100.0
450.27902	10.5
515.02869	0.5
521.33539	0.4
581.28094	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	581.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16226	0.4
55.21891	0.5
59.01369	0.6
61.41480	0.5
63.96228	1.6
71.01389	6.0
71.29963	1.2
71.49705	0.5
73.02936	1.4
74.48185	0.5
78.98596	5.0
79.95737	8.7
80.96516	54.7
81.66071	0.5
81.71544	0.6
85.02955	3.1
87.00880	2.2
94.98093	13.6
96.95995	0.8
97.02955	1.0
101.02433	1.5
106.98075	2.7
122.97607	4.2
125.02462	2.8
127.03973	0.7
134.97595	4.4
136.99101	1.3
148.99158	5.0
152.98647	6.6
164.98634	10.0
167.00269	0.5
182.99693	2.5
206.99725	2.9
224.98607	1.0
225.00743	16.6
243.01964	1.0
266.82709	0.6
281.24792	3.4
299.04440	2.7
581.29999	100.0
582.30292	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	581.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.5
57.03439	5.2
59.01382	76.7
60.01719	2.0
61.98839	14.5
69.03461	2.3
71.01382	42.5
71.62336	3.6
72.50777	1.6
72.99303	4.1
73.02955	12.1
75.94091	1.6
77.72152	1.5
78.95505	1.6
78.95900	9.9
83.01370	5.5
85.02947	21.0
87.00874	6.7
89.02444	23.9
95.01367	3.0
99.00870	6.4
101.02433	29.8
108.02171	1.5
109.02939	3.4
111.00875	3.1
112.98779	8.2
113.02463	21.1
119.03510	9.4
119.05034	4.3
123.04490	2.0
125.02454	2.0
131.03479	2.1
133.02959	2.7
134.03714	5.4
134.06065	3.8
135.04524	14.8
137.02420	2.1
143.03516	3.6
143.10756	3.1
149.00929	8.2
149.04610	2.0
149.06148	2.6
150.03250	2.3
151.03905	1.9
152.01135	3.9
153.01950	2.1
159.02968	2.8
159.04501	2.1
160.01660	3.1
161.02412	4.0
161.04584	11.5
163.03957	3.5
165.05537	3.8
167.03506	2.1
175.04112	2.9
178.02802	2.2
179.03467	10.8
179.05615	5.1
193.05029	7.1
219.02986	4.5
293.02963	5.2
327.16086	2.3
329.26529	1.7
339.13373	6.3
359.28049	22.5
360.28467	2.2
367.13312	1.8
415.23483	3.4
477.30231	1.9
521.33264	100.0
522.33350	8.4
539.33832	3.8
581.17413	1.8
581.25745	10.9
581.34833	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	581.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78408	1.0
57.03446	13.8
59.01382	66.4
61.98823	9.8
62.28334	1.0
62.81437	1.1
63.11582	1.0
69.19770	1.0
69.32646	6.5
69.33072	4.2
71.01389	14.6
72.99312	11.4
83.01389	2.4
85.02950	4.1
85.09110	1.0
87.00870	8.2
89.02446	8.2
90.77736	1.1
95.01400	1.1
96.95997	1.9
98.20638	2.7
99.04520	20.5
101.02441	10.3
103.00376	1.9
104.63982	1.2
108.02169	2.0
109.02924	1.4
109.06611	1.3
113.02467	4.8
114.79557	1.1
116.63687	1.0
119.03509	2.3
119.05000	1.6
121.02954	1.3
122.03755	3.5
123.04502	4.1
125.02442	10.9
130.99823	1.6
135.04520	9.4
137.02443	4.5
139.00388	1.2
143.03543	1.3
149.00903	11.7
149.02388	1.4
150.03258	1.5
151.03943	1.6
152.01143	3.6
161.04585	2.7
163.03979	1.6
165.05525	2.3
165.12830	2.8
175.04047	1.3
179.03470	7.1
180.04112	1.6
197.04573	13.6
207.13911	6.9
209.11818	19.3
223.06154	2.2
225.14987	5.9
227.13025	2.1
251.12872	4.3
269.04541	2.3
269.13919	51.4
270.14230	3.6
287.14951	5.7
329.08801	1.3
347.17148	3.2
359.09863	18.7
389.17722	1.4
417.10410	4.1
449.20215	100.0
450.20587	11.1
581.21912	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	581.1822
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01376	3.4
62.95978	1.1
62.96398	1.2
71.01367	3.9
72.55346	0.8
73.75254	0.8
78.95903	100.0
85.02927	1.0
87.00881	1.2
89.02444	2.8
96.96022	1.5
96.96967	5.8
98.20642	1.9
99.92587	10.8
100.93346	0.9
101.02477	1.4
113.02429	1.9
115.92078	36.6
116.92862	30.1
119.66932	0.9
120.96968	1.7
132.95172	1.0
142.94438	1.2
150.97987	4.0
152.99586	27.5
155.95172	1.9
163.89691	0.9
164.90477	1.7
171.00624	12.2
172.95467	7.5
178.88429	12.0
179.89212	40.8
180.90038	26.9
181.90790	2.8
193.90700	1.0
194.87871	3.1
196.89488	46.8
197.89499	2.4
204.89981	1.5
205.90764	6.9
206.91507	3.4
208.89474	1.5
219.92400	1.5
221.90181	3.2
234.91016	2.8
235.91833	10.2
236.92609	29.0
237.92899	1.6
252.92137	4.3
253.92816	1.2
255.23282	3.0
256.23621	3.3
256.78168	1.1
261.93295	1.1
270.93073	2.5
276.95792	2.8
278.93613	4.7
292.95267	3.5
293.95807	1.1
309.95425	1.3
310.96317	8.4
326.95813	1.1
342.11304	1.1
343.11520	1.3
353.13895	1.0
473.13937	6.9
490.14178	6.3
491.14590	1.9
515.15411	1.1
533.16187	6.0
545.16406	6.5
551.98566	1.0
563.16797	8.9
564.17273	1.4
581.18182	82.8
582.18536	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	581.151
Annotation	Okanin 4'-alpha-L-arabinofuranosyl-(1->4)-glucoside
Peak:m/z	Relative Intensity
57.03452	2.1
59.01380	18.2
61.98831	6.2
63.02399	1.4
65.00326	10.6
71.01375	6.6
72.99322	1.3
73.02948	3.5
73.79092	0.5
75.00876	0.6
76.11115	0.5
81.59277	0.5
83.01390	7.3
85.02982	3.4
87.00889	2.2
89.02467	2.8
93.03477	0.8
98.20670	0.9
99.00902	0.6
101.02458	3.7
107.00690	1.3
107.01395	18.5
107.02126	1.0
108.02211	2.0
109.02972	2.9
111.71203	0.7
112.98823	1.4
113.02444	3.7
116.92838	0.7
119.03528	1.0
119.05033	1.1
121.02997	1.0
123.04510	0.8
125.02452	6.7
128.64166	0.5
132.02171	0.7
133.02957	1.1
134.03766	3.0
135.04524	64.9
136.01669	0.7
136.04860	2.0
137.02440	3.4
143.03505	1.0
149.00990	1.2
149.02444	3.8
149.06068	0.7
150.03230	0.7
151.00372	100.0
152.01120	5.6
159.04500	0.8
160.01622	1.6
161.02444	2.8
161.04578	1.2
163.03973	1.1
164.01160	0.7
164.04788	8.2
165.01897	1.7
167.03479	0.8
169.01439	0.7
175.04047	2.7
177.01921	1.6
179.03552	0.9
179.07159	4.5
180.04166	0.6
181.05070	0.9
187.04097	0.7
193.04999	1.0
201.01996	0.7
201.05612	1.2
209.08086	0.5
234.40782	0.6
237.07445	0.6
243.06607	1.9
252.33685	0.6
269.04559	1.0
285.04095	1.1
287.05606	61.3
288.06006	3.9
317.10178	1.4
337.09396	0.9
359.27332	0.7
377.28845	1.2
399.09341	1.9
444.14749	0.7
477.30505	1.9
520.32135	2.1
521.25916	1.0
521.33167	12.1
533.16364	2.1
539.33997	2.5
581.15045	49.0
581.24603	2.2
582.15393	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	581.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49747	1.4
59.01377	19.1
61.98821	3.6
69.75665	9.7
71.01023	1.4
71.01385	6.5
72.22947	1.4
77.46362	1.5
85.02950	2.8
85.30360	1.3
87.00894	3.5
88.98828	2.3
89.02444	6.5
91.52190	1.4
93.16939	1.5
96.96020	3.4
101.02450	6.3
109.02958	10.9
110.00169	1.8
110.68127	1.6
113.02467	5.1
119.03504	2.6
121.02946	1.8
123.00907	15.5
135.04488	3.7
137.02432	4.0
138.03239	31.3
138.60588	1.7
139.03641	1.8
139.46016	1.5
149.00893	5.2
152.01173	1.7
153.01935	19.5
153.05531	15.1
166.99858	5.7
181.01451	5.7
182.02222	36.5
195.02950	4.2
196.03732	2.8
197.04546	100.0
198.04875	3.2
198.33249	1.5
211.06119	2.4
213.99188	1.5
239.05624	13.1
240.06200	1.7
245.06694	1.6
247.04475	1.8
255.05103	5.4
256.06552	1.5
257.00882	1.5
269.06747	2.7
299.07718	4.0
333.50439	1.8
359.09833	64.7
360.10098	3.4
401.63992	1.8
419.11905	44.0
420.12131	4.4
502.34674	1.7
581.15509	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28200	0.2
59.01372	1.2
60.26711	0.2
61.98831	100.0
69.09565	0.3
70.61489	0.5
71.01379	0.9
72.99298	0.4
73.02966	0.2
85.02966	0.3
87.00902	0.6
88.98812	0.9
89.02448	0.5
96.80208	0.2
99.00893	0.2
101.02465	0.4
103.00386	0.2
107.04950	0.2
109.17753	0.2
113.02462	0.3
116.07226	0.2
118.58206	0.2
119.05054	0.2
123.04611	0.2
125.02501	0.2
131.03496	0.2
135.04510	1.4
137.02487	0.4
138.05641	0.3
149.00964	0.7
149.02490	0.3
149.04596	0.3
149.35925	0.2
151.00458	0.2
152.01180	0.3
153.05583	0.3
161.55659	0.2
166.74496	0.2
177.02043	0.3
179.03552	0.5
180.04436	0.2
185.05811	0.2
197.04634	0.8
215.84563	0.2
220.96616	0.2
240.05969	0.2
269.04620	0.7
274.58798	0.2
285.03928	0.2
346.62823	0.3
359.10089	0.6
444.03525	0.3
551.50818	0.2
581.15808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60410	0.3
59.01381	4.7
60.99307	0.2
61.98832	100.0
67.40420	0.3
71.01397	2.9
72.99323	0.9
73.02959	1.2
74.02494	0.3
80.71996	0.2
85.02966	0.8
87.00893	1.1
87.04515	0.5
88.98817	1.1
89.02438	2.7
93.03541	0.3
96.96041	0.5
98.02575	0.2
99.00875	1.9
101.02467	1.0
103.00398	0.4
104.03502	0.3
106.06418	0.3
107.01421	0.3
108.02193	0.6
109.02977	0.7
111.00864	0.3
112.98814	0.3
113.02448	1.2
119.05034	0.5
121.02948	0.6
122.02521	0.8
123.04545	1.1
125.02460	0.6
131.03522	0.3
133.03015	0.4
134.03722	0.3
135.00929	0.3
135.04527	6.0
137.00696	0.3
137.02455	0.4
138.05577	0.3
143.04625	0.3
145.03012	0.3
149.00934	1.3
149.02475	0.4
149.04601	1.8
149.06049	0.4
150.03217	0.5
151.00400	0.8
151.03999	0.7
152.01181	0.8
153.01955	0.5
153.05620	1.0
157.44215	0.3
165.02013	0.3
165.05617	0.5
175.04063	0.7
178.09016	0.3
179.03532	1.0
191.05678	0.8
193.05086	0.3
195.06596	0.6
196.20592	0.3
197.04535	0.6
201.11357	0.8
203.05536	0.5
203.33644	0.2
209.11864	0.4
227.12831	0.3
237.04105	0.3
252.08646	0.3
269.04523	2.0
269.13968	0.5
272.08920	0.3
285.04089	0.4
287.05609	0.7
287.15042	1.4
297.10013	0.3
359.09793	2.1
399.37918	0.3
418.10916	0.3
449.20490	1.1
473.17596	0.3
520.24969	1.0
581.15192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98819	1.2
63.96230	0.9
69.03453	1.0
71.01383	6.3
71.61276	0.8
73.02934	1.5
78.98580	5.3
79.95731	8.1
80.96518	60.9
81.03432	1.1
85.02944	2.4
87.00874	2.8
94.98090	14.7
96.95985	1.2
97.02918	1.7
99.00859	0.8
101.02429	2.4
106.98077	2.4
109.90258	0.6
113.02450	0.6
122.76812	0.6
122.97579	5.7
125.02457	2.7
127.04030	0.6
134.97589	4.1
136.99126	0.7
148.99141	6.9
152.98619	7.2
164.98633	9.9
182.99637	2.3
206.99666	2.4
225.00734	18.0
243.01814	1.7
279.23343	2.5
281.23553	0.5
299.04340	2.1
305.25699	0.7
380.41605	0.6
431.36298	0.6
579.28424	100.0
580.28729	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	579.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
61.98830	6.9
63.96242	1.1
69.03464	0.5
69.35297	3.6
71.01377	6.8
72.99322	0.5
73.02945	1.7
78.95895	1.8
78.98589	5.2
79.95734	9.4
80.96516	59.3
85.02934	3.1
87.00874	3.1
94.98084	13.8
95.01431	0.4
96.95998	3.1
97.02954	1.3
99.00845	0.4
101.02463	2.2
106.98083	3.6
122.97600	2.2
125.02477	2.6
127.04013	1.1
134.97583	5.7
136.99123	1.3
148.99127	5.4
152.98628	4.8
164.98622	11.0
194.89984	0.6
206.99651	1.7
221.53644	0.5
225.00743	12.3
226.01044	0.6
279.23312	2.2
299.04434	2.4
390.81458	0.4
482.23505	0.5
563.51569	0.4
579.28412	100.0
580.28784	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	579.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.1
61.98841	1.3
71.01376	3.0
82.94925	1.2
89.02455	2.6
94.73447	1.1
97.27022	1.3
101.02479	2.7
103.65340	1.1
155.25414	1.1
181.12367	2.0
217.74046	1.4
222.11179	1.3
225.11314	1.7
231.60541	1.2
235.08208	3.2
253.09291	14.3
269.38242	1.2
279.23282	3.0
283.26422	100.0
284.26672	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	579.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53262	10.7
59.01381	100.0
61.98834	55.4
69.73019	54.5
69.73421	25.2
71.01381	28.5
78.95906	33.2
87.00883	22.8
88.92419	10.8
98.19952	18.0
101.02448	24.3
112.98804	85.3
126.70954	13.3
130.99805	14.9
133.02968	15.2
135.04533	23.2
149.01022	17.6
149.02405	11.6
152.68962	11.6
165.12805	20.8
176.04811	11.9
179.03574	15.4
183.13919	57.9
209.11858	13.0
211.21004	11.9
227.12892	56.9
279.64120	10.9
285.04080	42.6
395.15063	15.5
475.94235	14.3
488.80496	14.3
579.24701	20.1
579.39642	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	579.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96041	8.2
51.02158	7.9
55.93489	8.2
59.01391	85.0
61.98821	34.0
71.01381	29.0
71.11130	11.8
71.11470	16.3
75.00882	30.5
76.47812	9.4
78.95915	17.6
87.00884	16.2
91.74517	8.9
96.56277	9.1
99.00848	11.8
101.02418	17.6
108.59217	8.2
109.02992	9.4
112.98797	23.8
113.02437	15.9
113.34664	8.5
121.02972	13.0
135.04514	30.7
149.00882	8.9
161.02423	30.7
165.12807	14.9
165.88530	9.5
179.03459	34.4
183.13884	27.0
194.05841	24.9
202.50060	8.5
209.08176	34.3
225.14990	11.7
227.12938	54.0
253.09282	10.4
284.06775	57.6
289.17990	11.1
299.09235	25.4
329.16122	15.1
369.13501	100.0
579.28906	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
58.00599	1.0
59.01379	40.8
61.98815	2.4
68.95648	0.9
70.97720	0.9
71.01378	16.8
71.62469	1.4
72.99327	1.9
73.02949	6.1
75.00853	0.9
81.03433	0.9
83.01391	2.8
85.02953	7.6
87.00871	4.7
87.04494	1.0
89.02424	6.8
93.03445	1.9
95.01378	1.9
96.57138	0.9
96.91624	0.8
97.02927	1.3
97.06577	1.4
99.00858	1.9
99.04538	1.1
101.02438	11.0
103.00382	0.9
105.03498	0.9
109.02921	3.3
111.00857	1.1
112.98808	2.2
113.02448	8.6
119.03478	3.3
119.05046	2.1
121.02915	1.1
123.00862	2.6
123.04526	1.7
124.01579	0.9
125.02406	1.9
133.02968	2.0
134.03738	1.5
135.04527	6.1
136.04837	1.0
137.02441	14.0
137.06062	1.2
143.03462	1.5
145.02992	1.2
147.04469	1.0
149.00877	1.5
149.02353	1.4
149.06047	1.8
151.00366	19.2
151.03998	1.7
152.01109	3.6
152.04776	3.6
160.01633	2.0
161.02415	1.6
161.04524	3.6
163.04004	1.7
165.01889	0.9
166.02715	52.7
166.71646	0.9
167.03316	2.6
175.03986	4.6
177.01889	2.8
178.02635	1.4
179.03487	4.2
179.05656	0.9
181.05063	72.8
181.30414	0.8
182.05376	3.6
184.03654	1.8
185.06001	1.0
190.06250	1.1
191.03616	1.1
191.05341	1.1
193.05043	4.0
195.02870	1.0
205.05063	1.0
209.12076	0.9
219.02982	1.7
221.04416	0.9
270.05399	4.4
285.04016	16.3
285.07620	4.0
285.13199	1.4
286.04602	1.0
287.22229	1.3
293.03073	0.9
316.09552	1.0
343.21262	2.1
357.26309	2.3
359.11261	1.4
361.18381	1.1
375.27350	3.1
387.10831	15.7
402.13049	6.8
403.19690	1.7
417.15527	100.0
418.15939	9.8
446.69653	1.0
447.09091	1.6
519.31683	26.2
520.32397	1.1
537.32727	6.5
573.42694	0.9
576.85468	1.0
579.14502	1.5
579.24042	1.8
579.33136	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	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59918	1.7
59.01382	40.8
61.98832	25.0
62.49680	1.3
65.00340	2.2
68.99821	5.9
69.33498	4.1
69.33910	9.6
71.01402	11.6
72.99306	13.5
73.02950	4.9
80.89898	1.6
83.01418	2.6
84.99313	6.5
85.02955	4.3
87.00883	36.6
88.80341	1.4
88.98797	1.8
89.02460	4.6
91.01911	2.4
93.03476	6.0
95.01391	1.6
99.00900	1.8
101.02464	4.1
103.00396	6.2
108.02180	4.3
109.02949	2.5
111.00967	2.4
112.98825	100.0
113.02452	3.6
117.03468	7.6
119.05038	83.2
120.05415	2.9
121.02972	8.1
123.04517	2.7
127.00395	8.3
130.99890	7.5
131.05132	1.9
133.02979	6.5
134.03743	4.1
135.00865	2.5
135.04558	10.4
137.02469	8.3
143.05006	4.7
145.02965	36.2
147.04520	19.9
149.00909	3.3
149.02437	2.2
149.06085	3.0
150.03221	4.5
151.00453	1.9
152.01134	4.7
161.02470	3.3
161.06102	2.8
163.04021	56.7
163.65047	1.5
165.05571	3.6
165.12833	4.1
171.04552	1.7
175.04012	14.9
177.01956	5.7
177.05482	1.7
178.02698	3.5
179.03450	7.7
183.13907	61.2
184.14302	2.5
189.05580	3.5
196.83914	1.5
203.03502	59.1
204.03882	2.6
205.05057	2.3
207.13936	5.8
209.08214	6.3
209.11852	3.7
211.13467	1.7
215.03506	17.9
227.12857	2.5
233.04562	2.9
235.13414	1.6
243.06560	11.3
251.12856	17.2
253.09496	2.2
254.09537	1.7
259.02405	8.0
265.74173	1.6
277.03537	95.7
278.03833	5.0
284.06943	2.0
285.04007	2.4
285.17004	2.4
301.16553	27.8
317.10272	5.0
325.16599	10.4
341.23404	1.9
342.23526	3.1
343.24106	2.0
356.25299	1.7
369.13327	4.1
373.15427	1.9
373.26108	3.0
374.26254	6.9
375.15799	1.8
375.26532	6.2
415.16003	3.2
463.19965	2.1
475.32321	1.7
479.15256	2.3
482.19122	1.7
497.75912	1.9
519.40161	1.5
579.17090	6.8
579.24847	1.9
579.33423	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	579.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01826	0.5
57.03432	1.2
59.01378	7.1
59.79981	0.6
61.98835	1.9
69.43350	0.9
69.43753	4.2
71.01381	7.6
72.99296	0.9
73.02932	1.8
83.01372	1.4
84.71896	0.7
85.02957	6.3
87.00861	2.5
88.94937	0.6
88.98811	1.2
89.02429	2.6
95.01390	1.6
99.00869	4.2
101.02429	2.3
108.02175	54.6
109.02314	1.0
109.02979	15.4
113.02454	4.8
121.02983	0.7
123.00872	1.9
123.04508	0.9
125.02444	0.9
133.02968	0.8
135.04495	2.1
137.02472	1.4
143.03474	0.8
147.94331	0.6
149.00905	1.5
149.05995	0.7
151.03990	1.6
152.01157	80.8
153.01950	9.3
154.06143	1.0
161.04579	0.8
163.04004	2.4
179.03468	1.4
187.04004	1.0
219.02975	1.5
231.55547	0.7
241.07120	3.2
249.03836	0.7
267.06387	0.7
285.03937	1.1
297.11060	0.6
327.12198	0.9
417.14041	1.5
428.12793	0.7
447.11203	1.1
516.43567	0.7
548.96088	0.8
579.15637	100.0
580.15845	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	579.1358
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
51.22454	0.2
55.01855	0.3
57.03454	1.1
58.00575	0.4
59.01382	12.8
61.98828	2.1
63.02383	0.3
63.15953	0.2
65.00322	0.9
69.03442	0.5
69.59049	1.6
71.01385	6.1
71.04990	0.3
72.99309	0.6
73.02950	1.9
75.00851	0.4
83.01380	1.7
83.05060	0.2
85.02953	2.7
87.00877	2.0
87.04523	0.5
89.02444	3.0
95.01376	0.6
96.96000	0.3
97.02969	0.3
97.06600	0.4
99.00885	0.9
99.04538	0.3
101.02447	3.2
107.01408	1.5
107.05000	0.3
107.84969	0.2
109.02955	0.7
112.98807	1.0
113.02460	2.8
119.03502	1.0
119.05016	0.9
121.02939	0.6
122.03739	0.2
125.02420	0.7
131.03491	0.4
132.02155	0.5
133.02950	7.6
133.03976	0.4
134.03757	0.4
135.04547	2.0
136.04857	0.2
137.02415	0.4
143.03510	0.4
143.04977	0.3
143.10747	0.4
145.02933	0.6
149.00928	0.8
149.02449	1.8
149.04533	0.6
149.06026	0.4
151.00372	5.1
152.01129	0.4
160.01660	1.0
161.02432	0.5
161.04546	1.4
161.05920	0.3
166.05034	0.2
167.03470	0.3
169.06592	0.8
171.04567	0.3
175.04016	3.8
177.01971	0.4
179.03490	1.7
179.05629	0.6
180.03844	0.5
187.03984	0.4
193.05055	0.5
199.04048	1.9
201.01903	0.8
203.03601	0.4
213.05507	1.2
215.03520	0.3
217.05083	1.4
223.03857	0.3
229.04974	0.4
241.04939	0.6
241.14949	0.2
243.02951	0.7
253.09377	0.4
257.04532	1.0
271.03223	0.3
271.06094	2.7
284.03198	0.8
285.04041	100.0
286.04388	5.9
343.21173	1.0
357.26498	1.0
375.27435	0.9
415.32684	0.2
447.09457	1.0
519.24359	2.4
519.31793	9.9
520.31964	0.4
537.32813	2.3
538.33099	0.4
554.17950	0.3
579.13690	2.4
579.24152	1.1
579.33209	0.8
580.14435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1356
Annotation	Luteolin 7-arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
57.03447	0.4
59.01377	13.1
61.98822	0.8
63.02412	0.9
65.00333	0.9
66.91774	0.4
70.02686	1.6
71.01377	5.9
72.99307	1.0
73.02942	1.6
74.02461	0.9
83.01390	1.6
85.02940	2.1
87.00881	0.9
89.02451	3.0
95.01366	0.7
98.19927	0.5
99.00853	0.7
101.02454	4.5
107.01390	1.4
108.02180	1.6
109.02956	2.0
112.98801	0.8
113.02453	2.3
119.03511	0.5
119.05064	1.2
121.02922	1.0
122.06188	0.4
123.04503	1.7
125.02476	0.4
131.03514	0.9
133.02954	4.8
134.03746	1.0
135.00897	0.4
135.04535	5.2
137.02451	0.4
143.03571	0.5
143.05042	0.5
145.02930	0.7
147.04544	0.5
149.00945	0.7
149.02444	2.7
149.04503	0.9
149.05994	0.6
150.03246	2.7
151.00378	3.0
151.03987	0.6
152.01146	1.7
153.01974	0.7
161.02449	0.6
161.04553	1.6
163.03940	1.0
165.05597	2.6
167.03569	0.5
169.06516	0.5
175.02527	0.6
175.03998	5.0
176.04306	0.4
177.01892	1.1
179.03529	3.2
181.05069	0.6
185.06183	0.8
189.05385	0.4
191.03386	0.5
193.05098	0.9
195.06587	1.3
197.06244	0.4
199.03951	2.4
201.01955	0.4
203.03627	0.4
213.05624	0.8
215.03471	0.6
217.05003	0.9
219.02936	1.5
223.03996	0.4
237.04022	2.0
241.01297	0.5
241.04993	0.8
243.03044	1.0
255.03014	0.5
256.03619	0.7
257.04453	0.6
262.46704	0.4
267.03198	0.6
284.03214	6.8
285.04031	100.0
286.04379	7.1
293.02945	1.0
327.04941	0.5
327.12439	0.8
328.66089	0.4
341.08713	1.1
417.10306	1.1
447.10294	0.7
519.24554	5.5
519.31738	3.1
520.24670	0.7
579.13531	52.9
580.13696	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	578.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07622	0.2
50.60491	0.2
57.03444	0.3
59.01382	4.8
61.98833	100.0
71.01389	1.9
71.61720	0.4
72.59152	0.3
72.99312	0.5
73.02940	0.6
77.50721	0.2
85.02955	0.5
85.06522	0.2
87.00909	0.9
88.98817	1.0
89.02450	0.8
92.60703	0.3
96.96003	0.4
101.02479	0.9
102.40891	0.3
109.02996	0.6
112.98825	1.4
113.02468	0.6
116.92863	0.3
119.05043	0.7
121.02986	0.4
127.22552	0.2
133.02930	0.4
135.04530	1.4
137.02422	0.5
144.85262	0.3
145.02943	0.3
149.00977	0.6
150.03223	0.5
153.01945	0.6
158.37383	0.3
161.04556	0.5
163.04042	0.4
164.28355	0.3
178.02713	0.3
179.03514	0.9
196.24298	0.2
207.06679	0.3
222.12331	0.3
275.09375	0.3
285.04044	0.4
373.16583	0.4
374.16895	1.3
374.26727	0.3
462.87421	0.3
519.32056	0.5
578.24139	0.4
578.32867	1.2
579.33923	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	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65868	0.3
57.74659	0.3
59.01390	0.6
60.44645	0.3
61.98830	100.0
71.01392	1.8
73.02969	0.4
78.98596	1.1
79.95737	1.9
80.96518	12.0
85.02984	0.5
87.00904	0.4
94.98085	3.0
97.90993	0.3
101.02477	0.7
106.98111	0.9
112.31137	0.3
122.97554	0.7
125.02444	0.6
134.97589	0.8
148.99188	1.2
149.12547	0.4
152.98613	1.6
164.98630	2.3
180.61267	0.4
205.90981	0.3
206.99657	0.4
225.00760	3.7
279.23328	1.0
280.23752	0.6
281.24170	0.6
299.04623	0.4
399.18399	0.4
579.28430	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	578.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98836	100.0
63.12127	0.3
69.44057	0.3
71.01402	1.4
71.30696	0.7
72.99300	0.4
74.21830	0.3
78.95907	0.6
78.98622	1.1
79.95748	1.6
80.96526	8.6
85.02973	0.6
87.00936	0.4
94.98090	2.1
96.96015	0.7
101.02464	0.5
106.98113	0.4
122.97573	0.6
125.02458	0.7
134.97612	0.5
148.99179	1.2
149.00958	0.4
152.98679	0.9
164.98633	1.8
192.17859	0.3
225.00795	2.1
279.23425	0.5
280.23740	0.5
299.04398	0.4
579.28522	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	578.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
70.12783	38.2
134.30247	10.3
287.88522	11.0
339.23242	23.0
393.68695	10.8
515.35181	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04768	0.3
59.01381	2.4
61.98825	1.3
63.02383	0.5
65.00345	0.3
68.75486	0.3
71.01378	1.1
72.99318	0.4
73.02927	0.5
81.85487	0.3
83.01392	0.3
85.02946	0.3
87.00884	0.7
88.98843	0.4
89.02444	0.7
91.01897	0.4
98.19839	0.7
101.02446	0.7
103.00336	0.3
107.01406	0.8
109.02982	0.6
111.00871	0.3
112.98797	0.7
113.02446	0.5
121.02953	0.4
123.04531	0.8
128.41591	0.3
135.04530	4.3
147.04549	0.6
148.01697	0.3
149.01044	0.6
149.02446	2.1
149.04485	0.3
150.03299	0.6
151.00360	0.4
151.03952	0.5
152.01167	0.5
159.04451	0.4
161.02455	0.4
161.04623	0.3
165.05557	0.8
167.04996	0.4
174.03308	0.5
175.02560	0.6
175.03984	2.5
176.01239	0.4
177.01947	0.7
179.03532	1.1
185.06050	0.7
187.03946	0.4
187.93857	0.3
189.05588	0.4
195.06511	0.6
208.04332	0.3
211.04051	0.6
213.05495	0.6
215.03494	0.5
217.05090	0.7
219.02960	0.5
223.13429	0.4
227.03378	0.6
229.05038	3.1
230.05298	0.3
237.04050	1.1
240.04366	0.4
241.05002	0.4
242.02225	0.6
255.03055	0.3
257.04538	4.9
267.02798	0.3
284.03339	0.7
285.04034	100.0
286.04388	6.6
286.07294	0.2
327.12286	0.5
341.08920	0.6
375.14438	0.6
385.13940	1.1
417.10077	0.4
417.15311	0.7
447.13116	2.6
447.22876	0.4
474.76926	0.3
519.24152	0.6
579.14111	0.4
579.26630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14373	0.9
59.01381	14.7
61.98832	2.0
69.74002	4.5
71.01386	3.0
71.96811	0.8
72.23629	0.8
87.00938	0.9
89.02418	2.0
98.20591	1.6
101.02451	3.4
116.92886	1.0
138.96625	0.8
161.04512	1.4
176.41241	0.9
235.08302	0.9
253.09299	12.7
281.24869	100.0
282.25256	8.2
293.69849	0.8
341.68286	1.0
526.15417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.1
57.54271	0.6
58.25290	0.7
59.01378	5.2
61.81517	0.6
61.98813	1.2
71.01373	3.1
71.61912	0.7
73.02958	0.9
83.01388	0.7
85.02954	0.9
86.02479	4.4
87.00864	1.2
88.04038	3.0
88.98811	1.3
93.03459	6.8
96.19114	0.6
96.95971	1.4
99.00845	0.9
99.60196	0.6
101.02432	1.0
106.04260	2.0
107.05029	4.9
108.02161	1.0
109.02933	1.1
111.00858	0.8
112.98792	1.1
113.02490	1.3
114.05595	2.0
116.15403	0.8
117.03473	4.9
119.05014	5.8
120.01237	1.7
123.04517	2.3
125.02457	1.6
125.08463	0.7
131.05008	1.9
133.06606	6.2
134.03729	0.8
135.04520	5.1
148.07649	0.6
149.00923	1.5
149.06084	6.4
151.03989	0.9
152.01204	0.8
159.03296	0.7
159.04483	3.4
161.04547	1.1
163.03995	10.1
167.03477	2.6
168.00670	1.0
175.03929	1.1
177.05580	8.2
179.03485	9.2
180.04100	0.8
194.08215	100.0
195.08539	4.5
203.03493	7.9
204.03827	0.8
209.11803	2.8
221.04504	2.4
285.03928	0.9
293.02899	1.0
356.13470	40.7
357.13812	2.7
357.45764	0.9
404.52203	0.8
505.88358	0.7
578.18964	3.4
579.26190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01379	7.5
61.98830	100.0
69.54933	2.0
71.01376	2.2
72.99328	0.7
73.02956	1.0
77.08383	0.2
80.05080	0.2
83.01372	0.4
83.05047	0.3
84.06368	0.2
85.02962	0.8
87.00863	1.3
89.02462	0.9
95.01396	0.3
96.96028	0.6
98.19939	0.5
99.00881	0.5
101.02447	1.3
103.00400	0.3
106.06644	0.5
108.04550	0.4
109.02961	1.5
112.98829	1.1
113.02478	0.9
119.05050	0.6
121.02956	0.7
123.04518	0.6
133.02979	0.6
134.06123	2.2
135.04536	2.0
136.07689	0.3
137.02454	0.4
143.03467	0.3
145.02928	0.5
147.04547	0.4
150.03229	0.4
161.02507	0.5
161.04594	0.3
163.04050	0.7
165.05582	0.3
165.09302	0.3
179.03519	0.8
179.05618	0.3
179.07152	0.3
188.07158	1.0
211.08945	0.4
224.04576	0.4
225.10281	0.5
227.11942	0.6
237.10278	0.3
239.03539	0.3
253.09760	0.7
260.59283	0.3
267.03003	0.3
268.03690	3.8
269.04077	4.2
270.04758	0.3
275.09250	0.6
276.09479	0.5
277.09897	0.6
283.06085	5.8
284.06436	8.5
285.04083	0.5
285.07068	0.7
285.16928	0.3
293.09604	0.5
295.10880	1.8
307.10809	2.0
331.24869	0.4
355.24127	0.3
356.24860	0.4
357.26709	0.4
373.26123	0.6
374.26373	1.2
375.27246	0.3
442.17545	1.9
486.16812	0.7
502.19864	5.8
503.20200	0.7
518.30688	0.9
519.32007	1.2
536.31854	0.6
546.18787	5.5
547.19220	0.8
578.24438	0.3
578.33081	3.9
579.34491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.7
61.98828	2.2
69.40787	7.3
71.01390	3.6
89.02463	2.5
99.92580	1.6
101.02443	2.7
106.34329	0.9
110.41169	0.9
113.02433	1.5
115.92072	1.3
116.92895	2.1
119.03504	1.2
189.37184	0.9
196.59009	1.0
235.08203	2.5
253.09279	15.4
281.24860	100.0
282.25238	6.3
286.52997	1.0
327.66422	0.9
414.49887	1.1
449.31345	1.0
577.24377	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	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69881	0.4
58.26198	0.4
59.01371	1.1
63.96222	1.2
69.03438	0.6
69.30164	4.9
71.01379	6.1
73.02927	2.0
78.98590	5.5
79.95735	9.0
80.96516	59.4
81.03452	0.7
85.02935	2.3
87.00869	2.6
94.71098	0.5
94.98090	16.2
95.01376	0.6
95.98299	0.4
96.96006	0.9
97.02967	1.2
98.19895	0.9
99.00861	0.5
101.02442	2.6
106.98087	2.3
121.18423	0.5
122.97601	5.5
125.02438	2.9
127.03947	0.6
134.97595	4.3
136.99106	1.0
148.99127	4.9
152.98633	7.0
164.98622	9.9
165.51199	0.5
182.99654	1.8
206.99620	1.9
225.00734	16.0
243.01706	1.1
264.98056	0.5
277.21719	1.7
299.04425	3.1
351.59607	0.6
427.73090	0.6
540.93597	0.5
577.26843	100.0
578.27130	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	577.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66466	0.4
54.97461	0.4
55.01884	0.8
57.03458	3.0
58.00574	0.6
58.14311	0.4
59.01382	38.2
61.98832	7.7
69.03447	0.6
69.63623	1.7
69.64034	0.9
71.01387	11.8
71.05014	0.5
72.99301	1.6
73.02950	5.8
80.96474	0.4
83.01372	1.4
83.05038	0.7
84.99302	0.5
85.02959	5.5
86.00105	0.7
87.00882	6.3
89.02432	4.1
95.01375	0.9
96.95980	0.8
97.02972	0.6
97.06618	0.9
99.00864	0.9
101.02444	7.0
101.06101	0.4
103.00372	0.6
106.57336	0.4
107.05021	0.4
109.02975	0.8
111.08153	1.1
112.98800	2.5
113.02440	4.6
117.66016	0.4
119.03494	1.4
119.04978	2.2
120.05315	0.6
121.02888	1.0
123.04521	0.5
123.08144	1.5
125.02431	1.2
125.09705	1.9
127.11294	1.3
133.03001	0.9
134.03705	0.7
135.04535	4.2
137.02406	1.0
137.09717	2.1
139.11348	0.4
141.09218	1.0
143.03546	0.5
145.02953	1.5
149.00912	1.8
149.02443	0.4
149.06023	0.7
152.01192	0.4
153.09209	0.9
155.10768	1.3
156.61536	0.4
159.04553	0.6
159.10258	0.7
161.02426	1.4
161.04553	1.8
161.05838	0.4
163.04050	2.0
165.09160	0.5
171.10280	5.2
175.03990	0.6
179.03491	2.4
183.13866	0.5
185.11832	0.7
193.05066	3.2
203.03459	0.7
217.14362	0.8
219.03038	0.5
223.13486	0.5
227.12901	0.6
268.03751	0.4
277.21750	0.9
283.06125	1.2
283.15649	0.9
293.03067	0.8
295.22830	0.5
327.21774	0.7
337.23801	0.8
343.24902	0.7
355.10352	0.9
355.24927	9.3
356.25079	0.7
357.26550	3.7
371.24380	2.2
373.25955	33.3
374.26312	1.7
375.27481	0.9
384.12027	0.5
402.28735	0.4
415.16080	0.5
445.24585	3.4
457.28333	0.5
517.30176	12.9
518.30933	0.6
535.31232	14.9
536.31775	1.2
546.97681	0.5
577.32324	100.0
578.32684	11.6
578.41656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
61.98827	1.6
63.96241	1.6
69.49429	2.1
69.49854	2.0
71.01382	7.0
73.02946	2.2
78.95895	0.9
78.98598	7.3
79.95738	12.6
80.96516	76.1
81.03485	0.9
83.01362	0.6
85.02934	3.8
87.00875	2.3
94.98085	15.8
96.96006	1.1
97.02944	1.5
101.02464	2.6
106.98080	3.0
122.97596	4.0
125.02419	2.5
127.04057	0.7
134.97607	5.1
136.99136	1.7
148.99144	6.6
152.98651	5.7
164.98621	11.1
206.99693	2.5
224.56305	0.5
224.98608	1.0
225.00743	13.5
277.21652	0.9
279.23383	0.7
299.04419	2.0
461.44717	0.6
577.26862	100.0
578.27142	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	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33572	0.5
53.20609	0.5
63.96228	1.0
65.16185	0.6
65.30541	0.5
66.14984	0.5
69.28497	5.4
71.01383	6.7
73.02959	1.0
74.36966	0.5
76.79285	0.6
78.98593	5.5
79.95744	9.8
80.96523	63.0
81.03445	1.1
85.02969	2.8
86.87252	0.6
87.00875	2.1
94.98098	15.6
96.37101	0.5
96.96019	0.7
97.02958	1.9
98.20610	1.4
99.00907	0.7
100.41252	0.5
101.02437	1.7
102.42423	0.5
106.98092	2.4
113.02452	0.7
122.97606	4.8
125.02446	2.8
127.04021	0.7
128.91727	0.6
134.97565	4.3
136.99168	1.2
148.99135	5.6
152.98645	8.0
164.98634	11.0
167.00117	0.6
182.99661	2.4
191.87251	0.6
194.57474	0.6
206.99709	3.1
224.74335	0.6
225.00746	15.7
243.01764	1.7
255.91167	0.5
277.21747	2.2
299.04468	2.2
427.34622	0.7
577.26868	100.0
578.27222	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	577.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	8.5
59.01376	92.7
60.99305	3.6
61.98826	10.1
67.80649	3.1
69.30698	27.9
71.01382	53.0
72.99307	8.8
73.02950	21.6
77.46647	2.6
83.01379	3.3
85.02949	10.4
87.00868	8.5
88.98808	30.1
89.02443	100.0
92.57191	3.2
93.03454	3.8
96.58974	3.2
96.95997	5.2
96.96947	5.8
98.20569	6.5
99.00873	36.8
101.02435	52.5
109.02951	4.0
112.98825	9.3
113.02451	10.7
114.05586	9.0
116.92863	11.1
119.03508	7.9
119.05023	9.7
120.01261	3.7
125.02470	8.5
131.00076	3.1
131.03479	18.7
135.04523	24.2
137.02451	7.0
138.02023	2.7
143.03497	7.8
149.00943	5.4
149.04550	90.0
149.99600	3.4
161.02443	3.5
161.04472	6.0
163.03999	7.9
165.05505	4.0
168.00591	5.1
179.03470	21.2
191.05687	15.3
200.60562	3.3
203.03462	5.5
209.11801	9.9
219.63336	2.9
221.06667	15.7
223.13359	3.6
243.19118	3.5
251.07597	7.5
279.33578	3.0
293.08615	7.1
311.09790	18.3
446.11005	4.7
464.98380	3.0
505.15643	3.4
577.17322	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01377	4.0
61.98838	0.7
67.35785	0.3
69.03464	0.2
69.39333	1.6
69.39748	0.5
71.01399	1.2
73.02951	0.8
79.05560	0.5
81.03469	0.4
83.01352	0.3
84.79420	0.2
84.87422	0.3
85.02986	0.3
87.00880	0.7
87.45005	0.3
94.67822	0.3
101.02461	1.1
105.07104	2.3
106.07458	0.2
107.05051	1.4
108.02188	0.5
109.02957	1.0
112.98812	0.9
117.03381	0.3
119.05088	0.3
121.02959	1.5
121.06667	0.3
122.03758	1.1
123.00897	1.2
123.04523	7.0
124.01669	2.7
124.04746	0.4
125.02465	0.5
125.80261	0.3
133.03040	0.4
134.03763	1.7
135.04527	13.9
136.01665	1.0
136.05090	0.5
137.02440	1.4
138.03203	0.8
139.04007	2.3
143.09988	0.2
147.04515	0.7
148.05334	0.6
149.02451	1.8
149.06081	18.7
150.03223	19.0
150.06421	0.8
151.03673	0.7
151.11313	0.3
160.05417	0.3
161.02467	0.5
161.04689	0.6
161.06090	1.8
162.03265	0.6
162.06812	0.6
163.04012	6.1
164.04608	0.3
165.05565	9.9
166.05995	0.3
176.04805	0.3
177.05568	0.4
177.09172	1.1
177.12845	0.4
178.06320	1.7
179.03555	0.4
189.09184	1.3
192.07907	0.4
193.08681	2.8
195.10265	13.0
196.10521	0.5
203.07249	0.3
203.10776	2.5
205.08708	0.4
207.10284	4.8
219.10236	0.9
221.11823	33.8
222.12170	2.1
226.56905	0.3
227.07167	0.5
233.11865	0.7
235.13239	0.3
268.07431	0.7
268.49445	0.2
269.08179	1.1
271.06143	1.8
282.53497	0.3
284.06921	0.6
285.07599	0.6
286.08456	7.1
287.08926	0.5
297.07553	0.4
301.10898	2.0
323.12585	0.3
340.13046	0.7
341.13788	0.4
343.11542	0.4
355.15424	0.9
358.13986	0.4
371.15018	0.7
372.15335	0.9
373.16547	100.0
374.16864	9.4
392.92068	0.3
460.78711	0.3
491.12137	0.3
517.20514	0.7
535.21991	0.5
577.22882	13.9
577.31927	0.7
578.22961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42908	1.4
57.03437	3.7
59.01090	2.5
59.01381	44.8
61.98851	1.9
69.03456	2.5
71.01385	40.5
71.07436	2.7
72.99295	3.2
73.02946	9.8
83.01375	2.9
83.21197	1.1
85.02960	10.6
85.51543	1.1
87.00869	7.0
89.02448	11.3
93.03443	7.7
95.01382	2.5
96.95988	4.1
97.02910	1.5
99.00865	4.7
99.92578	1.8
101.02451	19.0
106.04252	10.9
107.05054	15.7
108.02190	3.3
109.02962	3.0
112.98801	4.2
113.02446	14.9
115.92064	3.1
116.92870	12.9
117.03477	20.4
119.03515	3.2
119.05029	21.0
121.02958	5.9
125.02435	2.9
131.05034	8.4
133.02939	5.0
133.06595	21.3
134.03748	50.2
134.06094	1.8
135.00945	1.4
135.04549	14.4
137.02452	13.5
138.05609	3.0
143.03517	2.6
145.02943	3.9
147.04538	2.3
149.00934	3.1
149.06078	69.7
150.06470	3.4
151.04001	1.9
152.01208	1.8
158.03709	1.7
159.03099	2.0
159.04504	21.2
161.02470	2.5
161.04562	19.9
163.03986	10.4
165.05623	2.0
177.01933	5.4
177.05577	34.9
178.05907	2.3
179.03499	28.3
188.89073	1.2
193.05055	100.0
194.05356	4.1
203.03503	56.4
204.03870	2.2
214.19795	1.3
221.04550	17.0
223.13403	2.6
239.03262	1.5
240.04297	2.3
267.12521	1.9
268.03772	28.9
269.04251	2.0
281.06720	6.3
283.06110	30.4
284.06189	1.5
339.13315	1.7
351.22394	1.5
355.10297	24.6
356.10529	1.5
373.12988	1.3
415.15955	1.6
445.11386	23.0
445.16882	2.1
447.88022	1.5
449.19904	1.7
517.26202	4.0
524.07349	2.1
535.27570	3.5
577.15308	4.4
578.16370	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	577.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01384	9.1
60.25669	0.3
61.98825	0.4
69.03449	0.3
69.61428	0.4
69.61835	1.1
71.01382	3.0
72.99306	0.8
73.02946	1.6
83.01408	0.3
85.02945	1.7
87.00878	1.9
89.02460	1.0
95.01394	0.5
98.20564	0.4
99.00857	0.5
99.04505	0.3
101.02452	2.0
103.00360	0.5
108.02200	0.4
109.02956	0.6
112.98789	0.5
113.02444	1.5
116.92862	0.2
119.05040	0.3
120.14464	0.2
121.02950	0.4
125.02454	0.4
131.01379	0.3
132.02170	1.4
133.02983	0.4
134.03798	0.4
135.04527	5.7
136.04913	0.3
137.02472	0.4
145.02959	0.6
149.00908	4.3
149.06137	0.4
150.01393	0.2
161.02473	0.8
161.04556	0.6
163.00430	0.2
163.03979	0.5
165.05626	0.3
167.05031	0.8
175.00391	1.5
175.04010	0.4
177.05545	0.8
179.03494	4.7
179.06979	0.3
180.03873	0.4
183.04527	0.4
184.05272	0.6
193.04843	0.3
195.04498	1.4
196.05260	0.9
202.70294	0.2
206.83972	0.2
210.89609	0.2
211.04010	0.7
212.04778	2.5
213.05255	0.3
219.02898	0.4
221.04477	0.7
223.04033	2.1
224.04768	9.9
225.05103	0.3
227.03554	0.6
228.04291	0.3
239.03481	3.2
239.07156	0.4
240.00557	0.3
240.04236	3.0
243.16161	0.3
249.92189	0.2
251.03569	0.6
255.06683	0.3
256.03833	1.8
259.73370	0.3
267.02954	2.8
268.03763	27.7
269.04160	1.6
282.05328	0.3
283.06116	100.0
284.06433	6.6
293.02975	0.4
311.07617	0.7
327.25406	0.3
341.08829	0.4
343.24786	0.6
355.24927	1.2
373.25885	4.8
374.26379	0.3
401.28763	0.3
415.10693	0.3
420.58719	0.2
445.11200	3.1
445.24289	0.3
457.27411	0.3
505.30011	0.3
517.30396	3.6
518.30859	0.3
535.31342	4.0
577.16022	7.1
577.32300	19.3
578.16089	1.0
578.32483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82779	0.4
57.03437	1.2
59.01377	10.0
61.98819	0.4
70.13602	1.8
71.01380	4.9
73.02943	1.7
75.00841	0.6
83.01366	0.7
84.99310	0.3
85.02956	1.5
87.00865	2.7
89.02441	2.0
93.03467	0.8
99.00891	0.5
99.04517	1.0
101.02437	2.5
106.04236	0.5
107.05037	4.7
108.02174	0.6
109.02909	0.7
109.88706	0.4
111.00889	0.8
112.98808	2.2
113.02449	2.2
117.03468	4.3
118.10809	0.4
119.03531	1.0
119.05029	0.5
121.02946	3.8
122.56236	0.4
123.04488	0.5
125.02428	0.6
130.99916	0.4
131.04967	1.1
133.02945	1.6
133.06590	4.8
134.02704	1.0
134.03738	25.2
135.04532	29.5
136.04820	1.2
137.01570	0.5
137.02455	5.0
139.04036	1.3
145.02991	0.6
147.04564	0.7
148.31624	0.4
149.00932	2.8
149.06082	13.9
150.03183	0.4
150.06454	0.5
151.03989	0.6
158.03716	0.5
159.04535	3.4
161.02457	1.8
161.04552	1.6
163.04045	1.8
163.60921	0.4
175.09491	0.4
177.05580	8.5
178.02716	19.6
179.03494	41.4
180.03777	1.6
189.05571	1.1
193.05052	100.0
194.05345	4.0
203.03528	6.7
203.07033	0.5
206.10043	0.4
207.06570	0.4
218.02084	0.4
219.03041	1.0
221.04602	2.3
223.13225	0.4
231.02829	0.4
237.07579	0.4
237.51845	0.3
239.16496	0.9
253.50409	0.4
254.24527	0.4
267.69995	0.4
283.15521	2.6
323.07645	0.4
337.10663	0.4
341.08752	5.0
355.10309	16.5
356.10730	0.8
373.25818	0.6
383.09995	0.8
445.11310	14.6
446.11731	1.4
455.08313	1.1
516.11761	0.4
517.30267	2.6
535.30933	1.3
559.15417	0.4
577.15222	1.1
577.33124	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	577.1563
Annotation	Eriosemaside C
Peak:m/z	Relative Intensity
55.01870	0.4
57.03431	0.4
59.01379	13.9
60.01689	0.8
61.98832	10.8
69.03430	0.8
69.40694	2.6
71.01387	4.0
72.99277	0.9
73.02936	1.4
81.03432	0.6
83.01354	0.9
84.66975	0.3
85.02966	1.6
87.00883	1.7
87.04504	0.3
89.02443	1.6
92.56712	0.3
95.01398	0.7
96.96001	0.4
97.02957	2.1
98.20577	0.6
99.00819	0.8
101.02438	2.7
103.00348	0.5
108.01429	0.3
108.02159	0.6
109.02954	20.5
112.37328	0.3
112.98820	1.9
113.02456	1.7
117.03502	0.4
119.03500	0.5
119.04977	1.0
121.02961	1.5
122.03720	0.6
123.00819	0.3
123.04524	7.9
124.01614	0.6
124.04827	0.3
125.02449	0.4
132.02150	1.7
133.02928	0.9
134.03717	0.8
134.06099	0.7
135.00864	0.6
135.04524	3.2
137.02432	1.5
138.03191	0.9
139.03976	0.5
145.02971	0.7
147.04489	1.2
149.00876	0.8
149.02391	0.4
149.09697	0.3
150.03229	2.8
151.04016	2.1
152.01131	0.3
161.02394	1.2
161.04494	0.5
161.05956	0.4
163.03992	0.9
164.04813	1.7
165.05565	1.7
173.06131	0.5
175.04027	0.4
177.05501	0.5
177.09068	0.5
179.03534	2.1
179.07060	0.4
184.05081	0.4
188.04665	0.3
189.05557	0.6
189.09167	1.1
190.02730	0.5
193.04938	0.4
195.04433	0.5
196.05267	0.5
205.05084	0.6
211.04001	1.0
212.04832	0.3
215.07013	0.6
223.04010	1.2
224.04765	1.1
226.02715	0.9
239.03473	4.4
240.04179	1.9
242.05786	0.4
243.06589	1.0
257.08301	0.3
260.06863	3.3
267.02985	6.0
268.03751	50.8
269.04095	3.3
270.01630	0.7
275.09244	18.1
276.09653	0.8
283.06113	100.0
284.06445	6.0
293.03113	0.5
323.05719	0.3
327.22058	0.5
353.23270	0.5
354.23724	0.5
355.15472	1.6
355.24768	1.3
373.16513	6.7
373.26080	2.7
415.23318	0.7
419.13666	0.5
479.15677	5.6
480.15909	0.4
502.20007	1.1
516.32892	0.6
517.30499	1.3
533.29907	1.3
535.31305	1.5
546.18652	0.9
559.21722	0.4
576.36401	0.7
577.15430	0.7
577.23114	4.4
577.32416	11.7
578.23535	0.4
578.33057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
58.00623	0.3
59.01381	14.2
61.98825	0.5
62.67602	0.3
69.03454	0.4
71.01384	8.9
71.61929	0.3
72.01697	0.3
72.99310	0.9
73.02951	1.8
73.88364	0.2
75.00871	0.4
76.48019	0.2
83.01377	0.8
85.02934	2.2
87.00883	1.4
87.43853	0.2
89.02448	5.3
91.01914	0.8
91.40166	0.3
93.03452	0.8
95.01369	0.7
96.96021	1.1
97.02933	0.3
99.00875	0.7
101.02448	4.3
103.00378	0.3
107.05019	0.6
108.02174	1.0
109.02905	0.3
112.98803	0.6
113.02449	4.2
115.04088	0.3
115.92044	0.5
116.92850	1.3
117.03474	1.3
119.03514	2.4
119.05016	2.4
121.02971	0.3
125.02444	0.7
133.02936	0.7
133.06599	0.7
134.03754	2.6
135.00882	1.5
135.04535	2.7
137.02431	1.8
143.03462	0.6
145.02888	0.8
148.01688	2.2
149.00908	1.0
149.04568	0.6
149.06059	2.9
149.98616	0.3
152.01164	0.5
153.01910	0.6
156.05768	0.4
159.04488	0.7
160.01653	0.6
161.02490	0.5
161.04558	1.8
163.04037	1.5
167.03540	0.4
167.04985	0.3
171.04495	0.4
177.01932	1.9
177.05542	1.3
179.03520	2.5
179.05614	1.0
183.04514	0.5
184.05296	3.1
189.05534	0.3
193.05061	5.2
195.04552	1.0
196.05289	0.9
198.03142	0.3
203.03487	2.2
205.12439	0.3
211.02112	0.5
211.04004	7.7
212.04730	1.3
219.02936	0.2
221.04527	0.9
223.04013	1.1
223.13370	0.4
224.04788	1.5
231.01788	0.3
239.03490	4.7
240.04242	4.4
241.04703	0.3
251.03586	0.6
267.03015	2.2
267.12357	0.4
268.03760	83.5
269.04080	4.7
281.06705	0.7
283.06110	100.0
284.06430	6.8
293.08536	0.4
339.07144	0.5
355.10483	1.1
445.11279	2.4
445.16312	0.4
475.13416	0.3
517.26489	3.5
535.27478	1.8
536.28906	0.3
577.14423	0.8
577.28827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92634	0.3
59.01373	0.4
60.83759	0.3
61.98831	100.0
63.79806	0.2
64.04379	0.2
70.38025	0.9
71.01390	0.4
78.98589	0.3
79.95744	0.4
80.96513	2.0
94.98064	0.6
121.37780	0.2
148.99191	0.4
164.98621	0.4
225.00862	0.3
231.14189	0.3
277.21793	0.9
278.22079	1.1
279.22345	0.6
303.65500	0.3
437.48721	0.3
577.26947	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81096	0.4
57.09197	0.5
61.76044	0.6
61.98830	100.0
69.42119	3.7
69.42514	1.2
78.95918	1.0
105.49763	0.5
130.94527	0.5
182.30766	0.5
314.72855	0.6
338.71271	0.5
494.52423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24380	0.9
70.93157	0.9
78.95905	14.2
91.88509	0.9
94.04259	1.0
96.96013	3.0
98.19872	2.8
110.98518	9.6
125.38702	1.1
127.11267	3.4
153.09180	1.0
167.01152	9.3
171.10272	100.0
172.10609	4.2
185.02180	2.2
202.85858	1.0
253.21704	11.5
255.23172	1.3
330.84329	0.9
339.12134	53.3
340.12500	3.2
575.33197	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.7
60.01730	0.5
60.81445	0.4
61.98836	4.0
71.01386	1.0
73.02930	0.7
78.03210	0.4
79.05514	1.2
81.03473	0.6
85.02941	0.7
87.00897	0.7
92.90755	0.4
95.01391	0.6
101.02467	1.1
105.07104	2.1
106.07411	0.7
107.05035	1.2
108.02193	0.5
109.02930	1.0
112.98828	1.1
113.02411	0.6
121.02953	2.2
121.06560	0.6
122.03791	0.9
123.00896	1.0
123.04536	10.5
124.01692	1.8
124.04849	3.2
125.02424	0.4
133.02982	0.4
134.03764	1.9
135.04530	17.4
136.01694	1.3
136.04842	6.0
137.02405	1.4
138.03191	1.1
139.04012	1.6
140.04318	0.7
147.04523	2.8
148.05098	1.5
149.02492	1.8
149.06088	22.5
150.03229	18.0
150.06422	9.8
150.07620	0.4
151.03560	7.3
155.46173	0.4
161.06049	1.4
162.03180	0.5
162.06406	0.6
163.04025	3.7
163.07639	0.6
164.04367	1.9
165.05573	9.7
166.05910	4.4
171.10213	0.5
175.03964	0.5
175.07562	0.9
177.05518	0.7
179.03583	0.5
193.08699	7.7
194.09041	4.4
201.09183	1.5
202.09503	1.1
205.08690	2.4
206.09062	1.8
219.10251	20.7
220.10587	16.6
242.09273	0.5
253.09196	0.8
268.07260	0.9
269.07950	1.2
270.05295	0.6
270.08713	1.0
271.06003	1.4
272.06439	0.9
285.07578	2.1
286.08334	6.8
287.08792	5.1
301.10748	3.5
302.11227	4.0
341.23392	2.1
354.14334	1.0
371.14990	43.5
372.15314	100.0
373.15579	6.9
382.12018	0.4
414.16479	0.7
508.58368	0.4
516.19238	1.1
516.32666	0.5
576.21729	12.1
576.30103	0.6
577.22424	0.8
577.32977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.64285	0.6
57.03450	1.9
58.00601	3.3
59.01381	100.0
61.98834	1.1
69.03461	1.3
71.01384	55.4
72.99312	3.8
73.02950	24.8
75.00886	2.7
83.01390	7.5
85.02950	14.1
86.47888	0.8
87.00880	4.8
89.02446	42.3
90.02808	0.7
95.01393	5.4
97.02984	1.4
98.19823	1.3
99.00896	1.3
101.02444	38.4
102.97117	0.7
103.00346	0.9
103.68316	0.6
110.28454	0.6
112.98835	0.6
113.02451	36.3
114.02782	0.7
115.92106	1.7
116.92850	4.5
117.92870	1.6
118.92697	1.3
119.03508	15.5
119.04979	0.9
120.01284	1.2
120.10611	0.6
125.02466	1.9
131.03508	5.6
131.49930	0.7
134.03809	0.9
135.04529	1.7
137.02425	0.8
143.03519	5.6
147.03035	0.7
149.00931	2.1
149.04582	3.7
161.02628	0.7
161.04552	9.7
177.01854	0.7
179.05641	6.0
203.05688	0.8
221.06642	1.2
237.06268	1.3
311.09146	1.6
531.21277	1.1
533.25714	0.7
575.14319	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	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.1
57.03453	7.1
58.00601	1.4
59.01381	100.0
61.98841	2.4
69.03457	2.5
70.50494	1.4
70.50848	2.0
71.01383	57.8
72.99319	3.1
73.02950	16.8
75.00890	0.9
83.01386	11.3
84.02135	0.8
85.02953	28.6
87.00866	5.2
88.64103	0.6
89.02450	16.8
93.03467	1.2
95.01398	5.2
97.02935	3.5
98.19849	0.7
99.00886	6.7
99.04528	0.8
99.34212	0.7
101.02445	44.0
109.02956	1.5
111.00889	1.7
112.01693	0.8
112.98824	1.3
113.02449	31.3
116.92843	1.1
119.03507	5.7
119.05003	2.5
123.04530	1.0
125.02462	4.8
129.01958	1.4
131.03477	2.2
131.85457	0.8
133.02983	0.8
134.03716	0.8
135.04544	1.8
137.02440	1.0
137.09721	1.9
141.09212	1.2
143.03522	6.7
149.00874	1.9
155.03552	1.0
159.02966	3.8
161.02489	1.4
161.04558	19.4
163.03996	1.4
167.03542	1.0
175.04146	0.8
177.02040	0.7
179.03491	2.1
179.05573	1.5
209.15456	9.0
221.06596	2.5
229.60968	0.8
305.17563	4.2
311.09094	2.1
347.85434	0.7
353.19672	6.8
354.19873	0.8
371.20734	22.1
372.20926	2.1
375.27475	1.6
395.20197	0.8
407.09875	0.8
407.15918	0.7
413.21805	10.4
414.21936	1.0
443.23074	1.3
486.90640	0.8
515.23956	1.8
533.25989	63.0
534.26501	5.5
575.26929	30.8
576.27435	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42567	0.9
55.72751	0.8
57.03438	2.3
58.00594	1.5
59.01381	53.4
60.99312	3.3
61.98834	7.1
68.02531	4.3
71.01385	18.7
72.02148	0.8
72.99303	1.8
73.02949	22.0
83.01400	1.2
85.02975	4.3
85.06627	0.9
87.00871	2.5
88.98808	22.2
89.02460	4.8
95.01391	1.1
95.05051	0.8
101.02460	5.6
103.00362	1.4
103.04016	3.3
112.98802	3.6
113.02471	4.1
119.03513	1.3
119.05027	3.9
121.02926	2.8
126.99586	2.8
128.99289	1.6
133.02940	1.0
135.04507	4.3
137.02451	1.5
143.10768	1.3
145.02956	1.1
149.00845	1.0
150.03201	2.2
161.02415	1.5
161.04564	1.5
163.03989	3.0
165.05537	0.9
170.64859	0.7
179.03476	1.7
179.05632	2.0
193.04797	0.7
196.34068	0.8
219.10323	1.3
247.20654	2.8
261.22119	2.8
263.20084	5.6
273.07672	1.8
273.22250	3.0
275.20105	1.9
277.21692	3.7
281.14008	1.2
291.23227	1.5
309.24396	11.5
353.23318	100.0
354.23718	9.3
371.14670	3.1
371.24191	1.0
395.24252	1.3
515.32202	2.9
531.28467	0.9
575.32684	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	575.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17984	1.0
59.01375	14.0
59.53062	1.1
60.99315	13.8
61.98833	5.5
71.01402	5.2
71.62374	2.0
75.92080	0.9
87.00880	1.8
88.98809	100.0
89.02440	1.9
95.01427	1.3
98.91446	0.9
101.02437	3.2
112.98801	2.8
119.05011	1.3
124.01717	1.0
125.02467	1.1
149.02368	2.1
150.03221	16.8
161.02412	1.7
161.04555	1.0
163.04024	1.5
164.04861	2.5
165.05563	10.7
175.03983	1.2
177.01845	1.6
193.08722	4.0
204.07848	2.3
205.08698	8.1
219.10268	19.6
220.10449	1.5
273.93408	1.0
302.07535	1.6
326.86700	1.1
369.13422	1.2
371.14990	39.4
372.15286	3.9
375.78082	1.2
489.13895	1.5
515.19824	6.0
515.28601	4.8
533.20410	4.1
574.85925	1.0
575.21405	3.8
593.63098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57689	0.2
51.58619	0.2
57.03440	0.4
59.01379	6.2
61.98825	1.5
67.01874	0.3
71.01398	1.1
71.62945	0.3
72.99308	0.2
73.02932	0.7
81.03436	0.2
82.69129	0.2
83.01379	0.3
83.05035	0.2
85.02942	0.8
87.00871	1.0
88.98814	0.4
89.02442	0.5
91.77069	0.2
95.01362	0.5
95.04974	0.2
99.00856	0.3
99.04551	0.2
101.02442	0.7
107.05023	0.3
108.02142	0.8
109.02957	1.9
112.98798	1.0
113.02428	0.6
116.92860	0.6
117.03443	0.2
119.05048	0.9
119.08670	0.3
121.02960	3.7
121.06615	0.5
122.03751	0.3
123.00865	0.9
123.04492	0.6
124.01659	2.2
125.02415	0.7
131.08586	0.3
133.02940	0.5
133.06622	0.4
134.03741	3.8
135.04535	4.6
136.01653	0.7
137.02444	1.2
137.06100	0.2
138.03307	0.9
139.04021	2.2
145.02960	0.3
147.04521	3.3
147.08154	0.7
148.05305	1.4
149.00999	0.3
149.02426	1.5
149.06056	1.3
150.03221	17.1
151.04030	1.5
152.04793	0.4
157.06622	0.3
159.04486	0.8
160.05299	0.7
161.02431	0.7
161.06082	2.3
162.03226	0.6
162.06836	0.3
163.04013	2.4
163.07631	2.8
164.04724	0.4
165.05568	10.3
166.05867	0.4
171.04491	0.7
172.05344	0.2
173.06049	0.7
174.06877	0.4
175.03961	0.5
175.07632	6.3
176.04845	0.5
176.08238	0.4
177.05540	0.7
179.03435	0.6
185.06134	0.9
186.06813	0.2
187.07655	2.0
188.04791	0.3
188.08324	0.3
189.05571	0.3
189.09212	6.8
190.09567	0.3
191.07118	0.6
193.05035	0.4
193.08693	8.8
194.09027	0.4
199.07643	0.4
201.09196	4.3
202.09756	0.4
203.03621	0.2
203.07152	1.9
203.10762	0.4
204.08078	0.2
205.08682	8.1
206.09160	0.4
213.09251	0.4
215.81216	0.2
217.08740	0.4
218.70638	0.2
219.10249	33.9
220.10567	2.0
227.07172	0.3
231.10248	0.9
253.04857	0.3
256.03796	0.4
257.04456	0.2
258.05338	0.3
269.04468	0.3
270.05179	0.3
271.06088	1.8
273.07690	0.6
273.67645	0.2
279.06531	0.3
280.07050	0.2
282.05475	0.2
283.06110	0.7
284.06818	0.4
285.07681	0.6
286.08463	1.5
295.06049	0.4
297.07504	1.2
299.09262	0.3
309.11533	0.2
311.08975	0.3
313.10800	1.8
326.11658	0.9
338.11612	1.7
339.12354	0.8
341.10297	0.4
341.14188	0.4
353.13916	2.7
353.23303	0.6
354.14337	0.5
356.12564	1.3
357.12766	0.2
361.99792	0.2
369.13416	0.3
371.14972	100.0
372.15314	9.8
399.17987	0.3
515.19275	0.7
515.31818	0.4
531.27814	0.3
533.20386	0.4
533.29175	0.2
575.21405	8.6
575.30579	1.1
576.21667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.6
59.01383	33.4
61.98835	8.5
69.36016	6.0
69.36440	1.3
71.01383	7.2
72.99310	1.6
73.02937	2.1
83.01395	1.9
83.05036	0.9
84.72894	0.7
85.02976	3.3
87.00871	3.7
87.13383	0.7
88.98802	2.9
89.02464	2.1
93.03458	1.1
95.01380	1.1
99.00901	1.6
101.02438	4.3
103.00397	0.9
105.07095	2.3
107.05044	1.3
109.02951	1.2
109.06580	0.8
111.24544	0.7
112.98814	8.0
113.02460	5.3
119.03559	0.8
119.05045	2.2
121.02950	3.5
123.04512	5.3
123.44668	0.9
124.01676	2.2
125.02440	1.3
133.02942	1.2
134.03740	3.0
135.04535	12.4
136.01659	1.6
137.02483	1.9
138.03233	1.2
139.04024	2.8
143.03531	1.3
145.02979	1.9
147.04512	2.9
149.00958	1.1
149.02437	3.1
149.06070	16.9
150.01997	1.5
150.03224	30.6
151.03931	1.6
159.04553	0.9
161.02448	3.2
161.04631	1.6
161.06110	3.2
162.03183	1.3
163.04053	4.4
164.04878	1.0
165.05568	21.5
167.03490	1.1
175.03944	1.0
175.07617	4.6
176.01169	1.1
177.01706	1.0
177.05544	1.9
177.09117	1.2
179.03516	3.6
183.13916	0.8
185.06136	1.3
187.07684	1.1
189.05519	0.9
189.09209	1.9
191.03578	0.9
192.03880	0.9
193.05052	1.1
193.08679	3.9
201.09233	13.6
202.06244	1.0
202.09456	1.0
203.07104	1.0
205.08679	6.5
219.03035	1.1
219.10260	18.0
220.10608	0.8
231.10223	0.9
252.67191	0.8
260.21817	0.7
268.07022	0.7
271.06116	0.9
277.03421	0.9
279.06512	0.8
283.05914	0.8
286.08453	3.0
293.02911	2.0
297.07645	2.4
301.10739	4.7
307.04846	1.2
338.11780	1.4
341.10437	0.9
353.13953	5.4
353.23187	2.2
356.12720	2.7
369.13751	1.1
370.13873	1.5
371.14978	100.0
371.28104	2.1
372.15375	8.0
413.17526	0.8
515.19086	1.9
515.32349	7.3
516.32330	1.0
528.05853	0.8
531.28436	2.2
533.20404	1.3
533.33325	2.7
575.21265	13.0
575.30231	2.1
575.35242	1.2
576.21759	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.8
61.98822	2.3
71.01389	3.6
72.99301	1.2
73.02949	1.3
83.01398	0.7
85.02959	1.4
87.00874	2.5
88.98810	1.4
89.02443	1.7
93.03438	0.6
95.01388	0.7
99.00822	0.6
99.04489	0.5
101.02438	1.2
103.00320	0.9
105.07093	4.4
107.05021	1.2
112.98804	4.6
113.02415	2.5
117.03461	0.5
119.03500	0.5
119.05026	1.0
121.02955	1.6
123.00882	0.7
123.04520	9.1
124.01669	2.3
125.02408	0.6
133.02975	1.2
134.03767	1.3
135.04536	14.3
136.01662	1.3
136.04854	0.5
137.02419	1.4
138.03241	0.9
139.04004	1.6
147.04503	1.5
148.09915	0.5
149.00867	0.6
149.02446	1.9
149.04869	1.3
149.06079	25.3
150.03226	27.0
150.06422	1.8
151.03934	1.7
157.10213	0.7
158.24731	0.5
161.02470	1.8
161.06082	1.6
162.03230	1.2
163.04019	3.6
163.07465	0.7
165.05565	17.5
166.05832	1.0
167.03551	0.9
173.06006	0.6
175.03981	1.2
175.07648	6.1
176.01115	0.8
177.05496	1.4
179.03485	2.6
187.07689	0.7
189.09241	0.8
193.04999	0.7
193.08739	4.5
201.09204	22.0
202.06279	0.6
202.09480	1.0
203.06964	0.5
205.08723	6.8
217.08612	1.0
219.10269	12.5
220.10628	0.8
268.07568	0.6
269.08047	0.9
271.06012	0.6
279.06589	0.5
281.17752	0.6
285.07703	1.2
286.08530	5.0
293.02835	1.5
297.07739	0.7
300.02795	0.6
301.10846	5.8
307.04605	1.1
338.11511	1.0
353.14023	6.0
353.23206	1.4
356.12622	1.1
371.14975	100.0
372.15305	7.6
454.19394	0.5
482.54529	0.6
515.19177	1.8
515.32220	3.6
531.28595	0.9
533.20435	0.9
533.33331	0.9
536.28772	0.6
575.21326	11.4
575.31329	1.9
576.21545	1.2
596.56250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69805	0.4
55.47792	0.3
59.01357	1.2
60.68290	0.3
64.54803	0.3
71.01387	0.6
79.05521	0.7
98.20614	1.5
105.07104	2.5
107.05005	1.5
109.02942	0.9
112.98740	0.4
121.02918	1.6
122.03767	1.0
123.00887	0.7
123.04524	11.9
124.01680	1.9
134.03757	0.9
135.04524	16.7
136.01628	1.0
137.02420	1.6
138.03192	1.1
139.03989	1.6
147.04510	2.6
148.05296	1.0
149.02444	1.7
149.06081	23.0
150.03218	19.8
150.06421	1.2
151.03712	0.6
161.06073	2.2
162.03192	1.3
163.03995	3.4
163.07556	0.5
164.04646	0.3
165.05565	11.8
175.07623	1.6
176.04729	0.5
177.05553	0.7
187.07568	0.9
193.08670	8.5
194.09073	0.4
201.09207	4.1
205.08644	4.1
219.10249	24.8
220.10606	1.7
229.57904	0.4
231.10316	0.6
233.11714	0.6
267.06592	0.8
268.07422	1.1
269.08167	1.0
270.05264	0.7
271.06073	1.8
284.06866	0.9
285.07742	3.0
286.08456	7.2
301.10828	6.4
353.13831	1.1
369.13275	0.5
371.14969	100.0
372.15289	8.8
515.19324	2.8
533.20447	1.1
575.21356	11.6
576.21735	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.2
61.98843	4.6
63.48634	0.6
65.47141	0.5
69.03428	0.8
71.01388	2.9
71.62754	0.6
72.61851	0.5
72.70004	0.6
72.99304	1.5
73.02936	1.7
76.43188	0.5
78.95909	0.7
79.78789	0.5
81.73274	0.6
83.01396	1.0
85.02943	2.6
87.00869	2.7
89.02422	1.6
93.03452	0.7
95.01397	1.0
97.02964	2.1
99.00866	1.2
101.02440	1.7
103.00388	1.0
105.07089	1.3
107.05032	0.8
109.02949	3.4
112.98820	2.8
113.02442	1.6
119.05032	1.1
121.02979	1.4
122.03718	0.9
123.00910	1.1
123.04540	8.0
124.01653	4.1
125.02438	0.9
130.99878	0.7
133.02980	0.8
134.03731	1.6
135.04533	11.8
136.01674	1.6
137.02454	3.7
138.03241	1.9
139.04021	2.7
147.04517	2.1
149.00967	0.6
149.02425	3.1
149.06084	12.3
150.03226	31.2
151.03780	1.8
159.04573	0.7
160.01752	0.5
161.02461	1.8
161.06088	1.6
162.03174	1.8
163.03990	3.2
163.07668	0.8
164.04810	5.2
165.05566	24.9
166.02661	0.7
166.05890	0.9
171.10242	0.5
173.06146	0.8
175.04088	0.7
175.07646	3.2
175.11256	0.6
176.04704	0.7
177.05521	2.1
177.09247	1.5
178.02708	0.6
179.03482	2.7
179.07144	1.9
187.07680	1.1
188.04861	0.9
189.05579	1.7
190.06294	0.6
191.07135	1.4
191.10876	1.2
192.07878	3.3
192.76180	0.7
193.05028	1.0
193.08694	7.1
199.07500	0.7
201.09236	11.7
203.07184	1.7
204.07896	1.5
205.08687	14.6
206.09169	1.2
211.13385	0.7
213.09120	0.6
217.08607	1.0
219.02943	0.6
219.10248	28.6
220.10553	1.7
251.00385	0.6
269.04541	0.8
271.06119	0.8
275.09247	1.8
281.17572	0.9
283.06061	0.7
284.06830	1.8
285.07816	1.3
286.08374	1.6
287.05865	1.0
293.03094	1.0
299.09201	0.9
301.10779	2.2
302.07877	1.3
311.22260	0.6
321.11279	0.7
336.10049	0.8
338.11508	0.7
339.11969	0.9
353.14056	3.3
353.23215	0.9
355.11447	0.6
356.12515	1.4
369.13336	2.4
370.13733	1.2
371.14972	100.0
372.15305	8.2
413.15732	2.8
437.15936	2.0
515.19189	12.9
515.31628	3.5
516.20142	1.2
533.20306	6.0
534.20355	0.8
552.47021	0.6
575.21399	19.4
575.30121	1.7
575.35925	0.8
576.21967	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49736	0.3
59.01377	1.1
71.01426	0.3
79.05528	0.7
81.03465	0.5
95.01405	0.3
98.19827	0.5
105.07103	2.2
105.65100	0.3
107.05042	1.0
107.66492	0.3
107.96519	0.2
109.02942	1.0
111.04511	0.3
117.03486	0.3
120.13607	0.3
121.02965	1.4
122.03744	0.9
123.00887	0.8
123.04521	9.9
124.01673	2.2
125.02481	0.5
134.03735	1.3
135.04521	16.3
136.01686	1.0
137.02466	1.2
138.03252	0.9
139.04005	2.2
147.04500	3.2
148.05280	1.4
149.02469	2.0
149.06073	24.4
150.03223	19.4
150.04482	0.4
150.06444	1.0
151.03751	0.7
159.04547	0.3
161.02443	0.4
161.06065	2.3
162.03224	0.9
163.04019	2.8
163.07648	0.8
165.05559	10.0
166.05826	0.6
175.07616	0.8
177.05537	0.6
187.07629	0.6
193.08685	8.0
199.07594	0.3
201.09177	1.7
203.07097	0.4
205.08673	3.5
218.05869	0.3
219.10248	27.3
220.10645	1.3
231.10281	0.6
233.11563	0.3
241.08702	0.3
254.06023	0.3
267.06693	0.6
268.07410	0.6
269.08127	0.9
270.05362	1.1
271.06058	1.1
283.06122	0.5
284.06879	0.7
285.07584	2.8
286.08450	7.5
287.08762	0.6
299.09091	0.5
300.09894	0.6
301.10785	5.2
302.11093	0.5
339.12372	0.4
353.13873	0.5
369.13052	0.4
371.14975	100.0
372.15344	8.6
413.15933	0.3
515.19171	1.2
533.20355	0.8
575.21313	10.7
576.21417	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	573.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14590	0.5
59.01383	8.4
59.07972	0.4
61.98821	1.2
62.31961	0.4
69.99401	2.1
71.01385	1.4
73.02944	1.0
75.00886	0.7
85.02965	0.6
86.64307	0.4
87.00888	0.7
89.02431	0.9
89.69443	0.4
92.91711	0.4
95.01398	0.4
99.00869	0.4
101.02443	0.8
109.02969	0.8
110.11259	0.4
112.98837	1.1
113.02412	0.5
123.00879	1.0
123.04538	0.5
124.01688	4.2
124.38361	0.4
133.02953	2.4
135.04500	1.2
136.01674	3.5
139.04030	5.5
149.02400	1.6
150.03230	38.3
151.03595	0.6
159.04509	7.8
162.03229	1.1
163.04083	1.0
165.05574	32.4
165.66101	0.5
166.05861	1.2
173.06082	2.7
177.05563	1.1
191.07153	7.0
191.41678	0.5
199.07648	16.5
200.08037	0.8
217.08701	35.1
218.09061	1.5
229.08820	0.4
236.06905	1.5
285.04181	0.8
319.09491	0.6
337.10785	1.3
337.76721	0.5
339.08698	1.3
353.10275	1.4
354.11060	7.4
369.13422	100.0
370.13733	8.0
513.18121	0.7
513.31061	0.8
573.19897	12.2
573.28900	1.1
574.20099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69169	0.2
59.01380	4.6
61.98829	0.2
66.67347	0.2
69.28385	1.0
69.28810	0.7
71.01388	0.5
73.02947	0.5
75.77798	0.2
85.02920	0.2
86.32080	0.2
87.00874	0.3
89.02448	0.4
95.01421	0.2
99.00886	0.3
101.02475	0.2
104.83537	0.2
109.02955	1.1
112.98808	0.2
113.02428	0.3
121.02974	0.4
123.00877	0.5
124.01662	3.6
125.02426	0.5
135.04549	0.4
136.01637	0.8
137.02428	0.4
138.03233	1.3
138.58119	0.2
139.04008	5.9
140.04358	0.2
149.02443	2.9
150.03223	28.1
151.03583	0.8
159.04559	0.4
162.03227	0.7
163.04044	0.3
165.05563	23.8
166.05902	0.7
173.06061	3.5
177.05565	0.6
184.05399	0.2
186.06813	1.3
191.07120	2.3
199.07634	22.2
200.08014	1.2
204.07935	0.5
207.59200	0.2
217.08676	14.9
218.05832	1.3
218.09030	0.7
236.06902	1.6
266.39252	0.2
273.39645	0.2
301.08646	0.3
311.09253	0.3
319.09723	2.0
321.07568	1.0
335.09430	0.4
336.09744	0.9
337.10764	2.2
339.08673	3.6
340.09009	0.2
351.12357	1.8
352.09351	0.5
353.10355	1.3
354.11060	7.9
355.11469	0.8
368.12643	0.2
369.13400	100.0
370.13739	8.0
513.17651	0.3
531.27881	0.2
573.19800	9.8
573.28784	1.0
574.20465	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2918
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
55.01876	2.1
57.03452	2.2
58.00586	2.4
59.01381	100.0
60.01728	1.1
61.98841	1.1
68.71883	0.8
71.01384	42.4
71.22784	1.5
72.99308	2.3
73.02950	16.1
75.00874	1.2
83.01386	5.3
83.93610	0.7
85.02957	13.3
86.00114	0.9
87.00872	5.9
87.04516	2.1
89.02444	31.2
95.01402	3.2
97.02931	1.9
99.00880	17.4
101.02450	31.0
101.06107	1.3
111.00848	1.0
112.01640	0.8
112.98802	1.8
113.02447	22.4
119.03501	7.8
125.02432	2.7
128.16006	0.7
131.03487	6.3
135.04526	1.2
143.03482	3.3
149.04556	14.0
149.13319	1.1
155.03438	1.0
159.06613	2.2
159.64377	0.7
161.04555	9.7
168.82506	0.9
177.09093	1.2
179.05592	4.7
191.05582	6.2
203.05573	2.4
217.08850	1.1
234.44530	0.7
249.09729	1.5
267.22443	0.8
299.57956	0.7
309.72214	0.7
365.05368	0.8
369.13159	3.3
370.13742	1.0
381.22797	5.1
399.23926	10.0
399.28870	1.6
400.23895	1.0
441.24902	4.3
513.27057	9.6
531.28076	35.7
532.28229	3.4
573.28906	31.8
574.28857	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	574.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.8
61.98836	100.0
70.74728	1.0
71.61542	1.5
78.15423	1.0
91.26370	1.1
141.07019	1.1
151.33661	1.0
151.61795	1.0
201.66893	1.2
206.82912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.3
70.38612	0.7
70.38984	0.9
71.01373	0.6
85.02955	0.4
97.02948	0.4
98.20568	0.4
109.02914	0.8
123.00917	0.6
124.01663	4.5
133.48953	0.3
136.01683	0.9
137.02467	0.4
138.03197	2.0
139.04021	6.1
149.02498	2.0
150.03223	29.3
151.03676	0.5
162.03233	0.6
165.05566	24.3
166.05914	0.8
173.06035	3.3
177.05530	0.7
184.05264	0.3
186.06865	1.1
191.07204	2.2
199.07623	21.7
200.07950	1.2
217.08687	16.3
218.05869	1.2
218.09012	1.1
236.06964	1.1
304.64297	0.3
311.09497	0.4
319.09830	1.7
321.07608	0.9
335.09308	0.9
336.10162	0.7
337.10788	2.7
339.08585	3.4
351.12393	2.2
353.10294	1.7
354.11060	7.9
355.11469	0.8
369.13400	100.0
370.13727	9.0
411.14465	0.3
513.17816	2.7
513.30121	0.4
514.17999	0.4
531.18866	1.3
573.19775	13.3
573.28387	0.4
574.20355	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91834	0.6
55.01878	1.1
57.03437	1.0
59.01380	34.1
60.99288	0.7
61.98831	4.3
65.09383	0.6
68.99551	0.9
71.01380	7.9
72.99319	1.9
73.02953	3.3
74.40693	0.6
78.95932	0.6
83.01398	1.3
85.02967	4.3
87.00878	4.1
88.98827	1.8
89.02443	3.9
95.01371	1.2
97.02999	0.7
97.06592	0.8
99.00896	3.6
101.02450	4.3
103.00371	1.6
108.02182	1.9
109.02937	2.6
111.00918	1.0
112.98814	7.1
113.02437	3.8
119.03517	1.0
119.05022	2.4
121.02963	1.7
123.00892	1.4
123.04534	0.8
124.01667	4.3
125.02446	1.6
125.74801	0.7
130.08777	1.3
130.99895	0.8
131.03505	1.3
133.02962	2.6
133.06598	1.1
134.03737	3.3
135.00854	1.9
135.04501	5.1
136.01682	1.7
137.02452	3.2
139.03995	3.6
143.03461	0.8
144.05807	3.7
145.02902	1.1
147.04535	1.4
148.01651	2.7
149.00934	2.0
149.02394	1.7
149.04602	1.2
149.09715	2.0
150.03226	11.3
151.04109	1.1
152.01181	1.7
157.06586	0.8
159.08150	16.1
160.08485	0.8
161.02411	3.4
161.04564	1.1
163.03999	3.2
165.05592	7.2
173.06100	0.8
175.04095	0.8
176.01151	19.8
177.01747	1.5
177.09206	33.6
178.02693	1.8
178.09558	1.7
179.03525	1.9
189.09233	1.4
191.03503	16.7
191.05302	0.9
192.03918	0.8
203.03583	0.7
213.05592	0.8
215.34773	0.6
217.08656	4.4
219.02930	0.7
225.05496	0.9
227.03421	0.8
231.10176	1.5
239.07071	0.9
241.05101	1.0
243.06624	9.0
243.75763	0.7
253.08682	0.7
255.06699	1.6
267.06781	1.6
267.11295	0.7
269.04623	1.6
275.09290	1.6
281.04663	0.9
282.05215	0.8
283.06186	4.3
284.06879	32.6
285.07278	1.7
299.09244	12.9
314.43243	0.7
335.09369	1.2
336.10068	11.2
337.10471	1.1
351.12335	9.0
351.21854	1.9
352.12903	0.8
354.11029	2.3
369.13416	100.0
370.13797	9.2
399.23874	1.3
441.14859	1.5
513.17712	1.7
513.30884	0.9
531.19977	0.7
531.27795	3.3
537.16217	2.6
573.19757	21.8
573.29126	8.2
574.19983	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	573.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.2
61.98844	0.8
62.01018	0.5
63.95739	0.4
69.36172	3.1
69.36594	1.4
71.01387	14.6
72.99309	3.7
73.02927	0.6
83.01397	0.6
85.02962	1.0
87.00874	11.4
87.04507	1.9
89.02454	7.6
96.96008	1.9
96.96958	0.5
98.95586	1.1
99.92588	11.8
100.92624	0.6
100.93352	1.4
108.02167	2.3
109.02943	1.1
112.98815	0.6
113.02475	0.8
115.92078	19.9
116.92863	70.3
117.92869	2.8
119.05025	26.0
120.05377	0.6
133.05072	100.0
134.05402	1.9
135.04509	1.8
140.92879	0.7
141.93700	0.7
142.94417	1.3
145.02910	0.9
149.00870	0.8
152.01192	2.7
156.92297	0.6
160.43239	0.5
163.04010	17.9
177.45454	0.6
179.03557	0.9
184.91899	1.4
186.93449	0.5
214.43701	0.5
253.19060	0.5
362.44128	0.5
369.08734	1.4
370.09274	1.0
399.09265	0.7
422.32391	0.6
439.12534	4.9
451.11160	1.0
457.13528	23.8
458.13989	2.2
469.11868	1.2
487.12866	2.1
493.12021	0.6
511.12024	1.0
529.14246	6.3
530.14441	0.9
537.11084	0.7
573.13019	11.9
573.19958	3.0
574.13794	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	573.146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01619	0.5
55.44931	0.5
59.01386	6.8
61.98817	1.0
70.12526	2.2
71.01388	2.6
72.99317	1.0
82.29034	0.6
87.00879	12.4
89.02451	9.4
93.03459	0.8
96.96007	1.0
103.00385	1.2
108.02175	4.3
109.02953	0.7
112.98827	1.7
119.05029	95.2
120.05376	2.6
121.02969	0.5
130.99860	1.3
131.69746	0.5
133.05086	10.8
135.04518	1.5
145.02933	1.2
149.00925	0.8
152.01155	6.3
152.19926	0.6
163.04008	100.0
164.04335	4.4
179.03532	1.6
205.05133	1.1
307.08267	3.3
314.74927	0.6
319.84210	0.5
325.05414	1.3
325.09277	24.5
326.09604	2.1
330.92285	0.5
332.13007	0.6
338.78802	0.5
354.26572	0.6
377.53299	0.7
397.11438	6.6
399.09296	1.6
417.10403	1.6
441.13986	19.5
442.14389	1.2
529.14777	0.7
573.14966	8.1
573.27606	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19297	0.4
59.01374	2.0
62.39854	0.3
65.40881	0.3
69.43385	3.0
71.01058	0.4
71.01378	2.4
72.99319	0.7
73.02956	0.5
86.88218	0.3
87.00887	1.7
89.02451	1.5
96.95418	0.7
96.96007	6.3
96.96949	0.4
98.19832	0.7
98.41875	0.4
98.95595	2.4
98.96460	0.6
99.00902	0.6
99.88309	0.4
99.92582	15.8
100.92621	0.6
100.93378	2.0
101.02467	0.4
108.02166	0.9
109.02943	0.4
115.92077	26.1
116.92860	100.0
117.92869	4.7
117.93631	0.5
119.05010	3.2
124.01645	0.7
125.02373	0.4
133.05066	12.3
135.04495	1.0
140.92860	0.5
141.52054	0.3
141.93613	1.2
142.94423	0.7
149.00916	0.6
149.99594	1.0
150.82835	0.4
152.01128	1.5
156.92332	0.8
158.93901	0.7
163.04028	2.7
168.00653	2.0
173.92555	0.4
174.93365	0.5
179.03491	1.4
184.91805	3.2
185.46002	0.4
185.92583	0.4
186.93353	0.6
203.03552	0.4
223.94220	0.4
226.96564	0.5
243.72321	0.4
274.17844	0.4
289.90610	0.4
369.08347	0.5
439.12494	0.8
441.13553	0.5
451.10541	0.7
457.13483	3.0
469.11768	3.3
470.11630	0.5
487.12784	2.7
488.13257	0.4
511.12610	1.6
529.13904	5.9
530.13715	1.1
537.10242	1.0
573.12555	21.9
574.12836	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	573.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.0
59.01389	4.9
61.98812	2.3
69.03448	1.1
69.34614	6.4
69.35023	1.8
71.01373	3.6
71.05001	0.8
72.99313	2.2
73.02962	5.8
81.03436	1.3
83.05005	2.3
84.03088	0.7
85.02942	2.0
86.02481	2.1
87.00887	1.9
88.04057	3.8
88.98791	1.1
89.02445	2.5
90.66799	0.7
93.02855	0.8
93.03461	16.0
96.96014	2.1
97.02934	0.7
99.00883	2.9
99.04509	2.3
99.92595	1.0
101.02422	2.0
107.05009	1.5
108.02177	44.1
109.02306	1.2
109.02963	14.7
111.04519	11.2
112.98758	0.9
113.02466	1.7
114.93434	1.3
116.92854	0.9
119.05031	5.7
121.02958	0.9
122.03722	1.4
123.00872	1.2
123.04488	2.8
125.02497	0.8
133.05032	1.0
134.03732	1.6
135.04541	13.2
137.02428	4.2
143.50958	0.7
145.02919	1.9
146.08200	3.9
149.00919	1.0
151.04071	1.2
152.01151	100.0
153.01910	4.6
155.03499	2.4
161.04605	0.8
163.04022	8.4
164.04265	1.1
164.07153	1.0
173.04562	4.9
177.01920	1.1
178.02708	0.9
179.03500	8.8
193.05077	1.3
207.02887	1.0
210.07732	14.5
218.10327	4.0
241.07266	1.3
250.06866	0.9
285.06137	1.2
325.09213	0.8
354.11920	1.8
372.13000	2.2
388.32889	0.9
399.09299	24.4
417.10376	28.6
418.10645	1.9
537.25427	2.9
555.13501	1.5
573.14642	89.5
573.23071	12.7
574.14972	8.9
574.23309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23540	0.3
51.24654	0.3
53.33077	0.3
59.01376	0.3
61.98832	100.0
71.11014	0.4
71.11346	0.5
75.85743	0.3
145.02983	0.5
181.01929	0.3
507.30054	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39911	0.5
59.01380	1.3
59.09653	0.6
59.87580	0.5
61.98831	100.0
70.76550	0.7
70.76883	1.3
71.48766	0.5
145.02968	0.7
179.03456	0.7
303.45224	0.6
406.42892	0.6
507.29510	1.5
571.35272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2886
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
52.83598	0.7
53.72514	0.8
54.43476	0.8
64.36549	0.6
69.82841	4.5
78.95904	60.2
96.96960	14.0
98.20708	0.9
119.27106	1.0
129.76367	0.8
150.98029	1.4
152.99585	55.5
223.00110	2.1
237.22295	0.8
240.98669	1.2
241.01163	30.5
255.23286	71.4
256.23621	4.6
259.02133	1.5
275.40594	0.7
315.04868	9.7
391.22601	5.3
410.07233	0.8
470.47507	0.9
571.28851	100.0
572.28992	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	571.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62188	0.9
59.01380	100.0
60.01746	0.9
61.98817	1.2
71.01379	2.7
73.02946	1.3
74.57797	0.8
78.95907	4.8
85.02953	1.3
100.52179	0.8
101.02457	2.3
113.02443	1.7
136.52519	0.9
152.99590	3.1
154.71283	0.8
161.04478	1.9
241.01123	1.3
251.11293	4.9
255.23283	4.8
277.21722	59.2
278.21988	3.6
571.28809	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	571.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.85114	1.7
71.01389	5.2
78.95912	3.8
85.02964	2.6
99.92586	1.6
101.02466	2.0
103.51642	1.7
116.92918	2.1
128.74297	1.6
141.62263	1.5
161.04530	2.1
175.12587	1.6
251.11392	6.4
277.21735	73.5
278.22113	4.5
389.52847	1.6
421.05396	1.7
476.61243	2.1
571.27881	5.2
572.28296	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	569.1892
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
54.66455	0.7
59.01378	9.5
61.98824	4.8
68.99822	1.4
69.88586	2.6
71.01385	7.7
72.99306	2.3
73.02921	0.8
75.00872	4.2
83.01400	2.3
85.01020	5.2
85.02949	2.3
87.00883	2.4
88.98782	2.5
89.02437	2.4
93.03471	1.1
95.01388	0.7
96.96017	4.4
99.00878	1.3
99.08142	1.1
101.02422	4.1
103.00364	1.9
107.81237	0.7
109.02944	0.7
111.00925	1.0
112.98792	5.7
113.02431	4.2
115.00353	1.9
115.02127	0.7
117.01905	1.0
119.05048	0.8
124.98856	1.1
125.02418	1.2
126.22171	0.6
127.01998	0.9
135.04523	1.5
139.00352	1.6
142.99794	1.1
143.05214	2.7
145.01414	12.2
145.03119	1.5
149.02467	0.8
149.06052	0.8
150.03220	1.4
151.00363	0.9
157.01421	1.6
157.03056	1.3
165.05582	1.3
166.02686	1.7
174.01591	0.9
175.02502	1.2
177.01949	0.9
181.05066	2.9
187.02505	1.3
187.04164	2.1
187.07794	1.8
195.06627	0.9
199.02419	0.8
217.05099	0.8
263.05771	1.2
307.08188	0.9
333.06451	2.1
349.13123	12.9
363.14825	1.8
391.14127	1.1
407.12808	0.6
421.11517	2.2
437.14490	4.0
471.11880	0.7
537.16760	0.9
569.18964	100.0
570.10815	1.2
570.19360	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	569.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	1.7
59.01382	32.0
61.22039	1.2
61.98523	3.1
61.98831	56.4
68.99782	1.6
71.01389	8.3
72.99313	85.0
73.02949	5.5
75.00863	1.5
83.05047	2.1
84.99329	2.2
85.02957	3.1
87.00877	14.2
89.02448	4.1
93.03443	6.2
97.06551	2.3
98.20567	3.7
99.00860	3.2
101.02441	5.1
103.00372	4.6
107.05007	3.0
109.02955	8.1
112.98820	11.7
113.02470	2.4
119.05053	3.1
121.02939	6.4
122.03769	1.5
123.00874	2.0
123.04535	31.3
124.01709	3.4
125.02428	4.3
130.99835	3.9
133.02972	6.9
134.03763	9.5
135.04533	100.0
136.04848	3.0
137.02455	9.6
145.02962	3.0
146.03693	1.3
147.04550	3.2
149.00880	9.8
149.06079	8.8
150.03192	6.1
151.03952	5.9
159.04507	2.9
161.02473	8.1
161.04567	1.7
161.06018	1.6
162.27892	1.5
163.04001	5.3
164.79393	1.4
165.05544	4.4
165.12875	3.2
166.99922	2.2
171.10284	2.1
174.03198	3.4
175.04001	1.9
176.01122	3.7
178.02722	3.4
179.03502	70.7
180.03836	2.8
182.02165	1.8
183.13867	8.4
187.03899	2.1
189.02019	2.1
191.03464	1.9
193.08698	2.5
197.04555	76.0
198.04904	2.4
205.08723	2.0
211.03841	2.1
211.13387	1.9
219.03006	7.6
219.10274	7.6
227.12866	4.5
231.10179	2.4
251.07164	3.7
251.12778	2.6
253.05054	5.4
254.05856	2.5
267.06573	5.7
268.07507	3.0
269.08130	2.6
275.09302	3.7
275.12729	1.6
280.03708	3.5
281.04520	6.7
293.03024	6.8
293.13943	7.6
294.05518	1.8
295.06128	20.8
296.06763	9.1
301.10852	3.2
339.04916	2.7
340.05774	2.4
347.18542	2.4
349.14359	6.0
359.09848	9.6
371.15030	19.0
393.13327	11.6
437.12207	4.0
533.13580	1.9
533.20465	14.4
533.28137	2.6
551.21210	3.6
569.22290	94.5
570.22473	11.2
589.57703	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	569.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01093	1.2
59.01380	18.9
61.98816	2.7
71.01382	3.1
71.61708	1.0
72.99301	1.9
73.54742	0.7
85.98166	0.6
87.00884	10.3
89.02451	1.3
93.03463	0.9
96.95971	1.2
101.02439	1.6
103.00365	1.6
103.90850	0.9
105.01907	0.8
108.02167	1.9
109.02982	1.5
112.98813	0.8
113.02431	1.1
119.05012	2.0
121.03025	3.3
122.03777	3.3
123.00878	1.6
123.04507	2.1
125.02436	1.9
130.99875	0.9
135.04524	3.5
137.02509	1.1
149.00917	6.0
149.02419	11.8
150.03220	34.3
150.99142	1.5
151.00363	22.2
151.04031	8.1
152.01123	2.0
153.01970	1.1
163.04039	1.5
164.04770	10.4
165.01886	1.3
165.05568	42.6
166.02707	60.8
166.05801	1.9
167.03221	2.4
169.01392	0.7
179.03482	0.9
179.07143	9.9
180.04237	3.2
181.05060	100.0
182.05397	3.9
193.11102	0.8
195.06622	19.3
208.03746	0.8
223.06143	3.6
241.07149	1.9
254.06165	0.8
266.05728	1.2
282.05310	1.5
313.08139	1.7
314.07806	0.7
327.12082	1.1
329.10239	2.5
371.11459	0.8
389.12488	1.5
419.13504	1.4
437.14505	98.3
438.14856	9.9
569.10687	1.4
569.18292	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	569.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47058	1.0
59.01382	25.0
61.98825	2.8
69.03436	1.2
71.01363	4.9
71.61505	1.3
72.99301	2.6
73.02950	2.5
85.02941	2.2
87.00867	12.7
89.02438	4.6
91.67667	0.9
93.03458	2.6
96.96009	2.9
101.02468	5.1
103.00354	1.9
108.02184	3.9
109.02973	2.2
112.98795	2.1
113.02454	2.4
116.92834	1.9
119.03474	0.9
119.05023	2.9
121.02957	2.8
122.03738	4.3
123.00890	2.0
123.04520	3.3
125.02463	2.0
133.02931	1.7
134.03731	1.6
135.04536	6.6
136.01697	2.8
137.02466	1.0
145.02994	0.9
147.04498	1.1
149.00912	8.1
149.02434	12.3
149.06093	1.2
150.03223	39.1
151.00383	23.6
151.04028	5.8
152.01149	3.5
153.01978	1.3
156.24234	0.9
156.85614	1.1
161.04567	1.4
162.03378	1.3
163.04001	4.4
164.04787	11.6
165.01939	1.1
165.05560	47.5
166.02713	58.1
167.03160	1.4
171.10236	9.7
173.00810	1.2
175.02611	1.2
175.03937	5.4
177.02058	1.0
177.05507	1.0
179.03453	3.7
179.05614	1.8
179.07072	8.1
180.04253	3.2
181.05061	100.0
182.05327	3.0
195.06607	21.3
218.10376	0.9
219.02959	2.1
223.06032	4.8
237.04070	2.3
241.07162	3.0
290.90976	1.1
294.13550	1.1
332.88104	1.2
351.36438	1.4
384.70462	1.0
391.41571	1.1
397.13544	5.5
415.14438	1.8
437.14511	94.0
438.14880	7.6
494.02466	1.0
569.14722	2.1
569.31592	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	567.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94405	5.3
59.01380	100.0
61.98828	70.6
62.88533	5.5
64.06023	6.0
68.02982	5.3
71.01375	36.2
71.61876	6.8
72.99333	5.2
73.02935	19.2
74.12160	5.5
79.32496	4.8
80.73090	5.7
82.23051	4.9
83.01395	7.0
85.02923	13.8
85.08028	6.1
87.00879	16.6
89.02460	8.5
90.62521	5.6
95.01409	7.8
97.02958	5.5
101.02444	20.9
109.02953	5.8
111.71032	6.0
112.98823	13.4
113.02479	11.1
117.54411	5.9
119.05018	7.8
121.02970	6.1
126.08486	5.9
133.02946	14.8
134.03734	11.2
135.04501	19.2
149.00893	12.3
159.04541	9.6
177.01872	13.0
178.02670	11.8
179.03481	18.7
183.07787	8.8
220.09126	5.4
227.06790	14.0
261.05331	13.5
267.06497	6.6
301.21811	9.1
331.76300	6.9
417.19308	7.0
523.29199	84.1
524.29541	11.0
567.21667	6.7
567.30811	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	568.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.94576	0.5
70.81203	0.8
70.81573	1.1
75.65798	0.6
99.81852	0.6
145.02950	1.1
147.32599	0.6
163.03978	0.7
505.28159	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15992	0.3
51.23925	0.3
59.01386	0.5
61.98832	100.0
64.05946	0.3
69.68244	1.8
75.03917	0.3
75.41065	0.3
77.18476	0.3
80.63612	0.3
96.06136	0.3
98.19946	0.5
112.98790	0.3
114.72955	0.3
114.92011	0.3
121.51872	0.3
125.46316	0.3
145.02972	0.5
215.85199	0.3
260.83673	0.3
278.34750	0.4
435.11310	0.4
505.28168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47865	0.3
56.21304	0.3
59.01388	0.5
60.46031	0.3
61.98830	100.0
62.24916	0.3
97.86318	0.4
99.92614	0.3
112.15446	0.4
112.22424	0.3
119.04995	0.4
145.02975	0.9
229.36638	0.4
341.76340	0.3
505.28134	2.3
539.42645	0.4
569.26691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17204	0.2
50.68733	0.3
59.01378	5.6
61.98830	100.0
69.45042	2.0
71.01392	1.5
72.99316	0.5
73.02969	0.3
75.00866	0.3
78.95916	0.7
87.00882	2.0
89.02476	0.6
93.03448	0.4
95.01407	0.3
99.00899	0.3
101.02480	0.5
103.00372	1.1
107.05102	0.3
109.02956	1.0
112.98818	2.4
113.02462	0.7
119.05074	0.5
121.03013	0.8
127.00349	0.3
130.99895	0.7
133.02971	1.3
134.03755	1.2
135.04529	8.4
137.02446	1.0
145.02928	0.5
147.04507	0.3
149.00961	1.2
149.02315	0.3
149.06117	0.5
151.03972	0.4
158.03761	0.3
160.30962	0.3
161.02464	1.7
161.04529	0.4
161.06111	0.3
163.04079	1.2
165.05582	0.4
165.12820	0.4
169.73894	0.3
175.03954	0.3
177.01897	0.4
177.05621	0.4
178.02734	0.9
179.03490	4.8
183.13898	0.4
190.98880	0.3
191.03516	0.7
200.70029	0.3
217.86726	0.3
219.03012	1.8
223.91695	0.3
229.14143	0.3
231.03125	0.4
234.07077	0.3
242.59692	0.3
251.07274	0.3
275.09317	1.3
281.68576	0.3
293.03040	2.1
295.06259	0.5
338.18533	0.3
345.16937	0.3
347.18594	0.3
371.14697	0.4
466.89557	0.3
483.38126	0.3
532.19507	0.3
535.93762	0.3
569.26666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.4
66.31736	0.9
69.56935	6.0
71.01360	1.0
72.99290	1.1
81.88012	0.9
85.02977	1.0
88.98806	1.7
89.02399	1.0
91.01898	3.9
97.02917	0.9
104.15122	0.8
108.02174	52.6
109.02978	18.0
113.02449	1.6
123.04530	14.2
135.00905	1.0
135.04532	1.4
152.01152	100.0
153.01947	22.4
163.04036	2.2
167.03493	19.7
217.20882	0.9
267.04980	1.0
285.06100	1.2
399.09311	19.5
400.09808	1.2
417.10449	9.0
421.23962	1.3
567.13519	88.0
568.13702	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	567.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53017	1.3
56.45659	1.2
59.01368	5.3
59.79814	1.2
60.51654	1.2
61.98814	2.4
66.05007	1.1
69.55799	7.6
69.56211	2.1
71.01366	1.7
73.02946	1.9
85.02932	2.6
101.02423	1.7
106.08336	1.4
108.02178	49.9
109.02969	12.4
110.57322	1.3
113.02460	2.2
122.57217	1.2
123.04523	14.6
124.01433	1.3
135.04532	6.5
149.02437	1.3
150.03207	1.9
152.01155	93.8
153.01918	7.0
163.04022	2.9
165.05554	1.6
167.03488	22.3
179.03505	1.6
183.06615	1.6
189.37779	1.3
223.96309	1.5
391.21387	2.3
399.09250	18.5
567.13580	100.0
568.14075	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	567.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98829	83.6
64.99515	4.4
69.89822	16.0
71.01383	27.3
73.02954	18.0
78.95924	4.5
83.01394	4.8
85.02966	7.4
87.00852	4.0
89.02448	21.2
89.40257	3.8
101.02451	20.7
111.43610	3.7
113.02410	5.6
114.03576	4.1
119.03558	4.0
132.74117	3.5
135.04555	8.7
182.62099	4.3
249.93097	4.2
463.27094	4.3
481.27979	3.9
523.29108	86.1
524.29346	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	567.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86922	5.7
54.48849	7.1
55.51182	7.0
59.01376	100.0
59.88669	5.3
61.98827	91.6
66.36643	5.7
66.79545	5.8
71.01377	31.9
73.02944	13.9
83.01391	7.2
83.44429	5.5
85.02922	9.9
89.02438	14.5
98.19839	14.7
101.02448	19.9
105.92019	6.3
112.98866	8.1
113.02489	6.5
121.02901	8.4
135.04507	6.5
232.32938	6.6
300.51465	5.8
327.08414	6.0
523.29071	81.2
529.03638	7.0
567.22388	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	567.2809
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
57.03444	2.1
59.01385	79.6
61.98841	11.4
69.77119	1.9
71.01386	31.1
72.99297	2.2
73.02956	18.9
83.01384	5.2
85.02948	7.1
87.00855	2.3
89.02452	15.6
101.02443	22.3
105.18695	1.8
106.06596	2.0
112.98811	1.9
113.02442	11.1
118.96575	1.9
119.03564	4.1
133.02876	2.0
134.03757	2.3
135.04544	3.1
143.03453	1.9
156.54274	1.9
161.04588	2.2
178.02631	2.7
183.13934	4.8
287.64938	2.2
301.21646	4.5
463.26859	3.0
481.27829	4.5
523.29138	100.0
524.29425	12.9
528.06689	2.5
567.28412	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	565.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03450	3.6
58.00584	0.7
59.01379	100.0
60.01730	1.7
60.99308	0.5
61.01813	0.8
61.70013	0.3
61.98833	5.9
62.98938	0.3
69.03470	1.6
71.01383	23.5
71.62382	0.6
72.01746	0.6
72.99313	2.0
73.01826	0.4
73.02948	5.2
74.16535	0.4
75.00893	0.7
75.48540	0.4
79.56938	0.3
81.03493	0.4
83.01386	4.4
84.02192	0.4
85.02951	10.8
85.06615	0.6
87.00879	3.7
87.04548	0.4
88.98814	3.2
89.02444	11.6
93.03468	0.6
93.81350	0.4
95.01391	2.6
97.02921	1.8
97.06596	0.4
99.00883	5.2
101.02446	10.3
103.00399	0.5
106.43724	0.4
107.01296	0.4
107.70512	0.3
108.02188	0.5
109.02972	1.0
111.00886	1.2
112.01693	0.4
112.98807	2.2
113.02450	12.0
113.03242	0.7
114.02766	0.4
115.04013	1.0
119.03507	1.2
119.05009	0.9
121.02958	5.3
122.06145	0.4
123.04502	0.7
125.02440	6.1
126.02727	0.4
129.01920	0.8
131.03519	1.4
133.02985	1.1
133.05049	0.4
134.03723	1.3
134.06114	1.5
135.04504	2.7
136.01721	0.4
137.02434	0.8
143.03452	2.4
143.10797	1.4
145.02994	0.4
147.04594	0.4
149.00911	1.9
149.02449	0.7
149.04556	2.1
149.06085	0.6
151.00415	0.5
151.03952	0.6
152.01076	0.4
153.01955	0.9
159.03011	1.0
159.04358	0.5
160.01674	1.1
161.02441	1.5
161.04585	3.4
161.97562	0.3
163.03970	0.6
165.05565	0.5
167.03447	0.5
174.03067	0.4
175.04002	1.7
177.01981	0.5
177.09337	0.3
179.03505	2.6
179.05606	0.4
179.07138	0.5
180.03847	0.4
181.05174	0.4
191.03514	0.3
191.05608	1.2
193.05055	0.7
198.12096	0.4
202.02724	1.4
203.03508	0.4
211.09882	0.4
225.05551	0.6
225.24464	0.3
227.16438	0.5
229.18066	1.4
233.06624	4.0
256.07474	0.7
271.02502	0.5
271.09689	2.4
271.15732	0.6
273.02939	0.7
283.10834	1.6
293.08743	4.7
295.10718	0.4
299.02039	0.5
300.02393	1.0
301.02460	0.5
315.25537	1.8
343.28552	0.9
361.29596	10.0
362.29895	1.0
430.17450	0.5
433.24115	3.1
457.31628	0.6
459.29712	0.4
475.33002	0.8
490.19763	1.5
505.33765	64.1
506.34103	8.5
517.19049	0.6
521.11963	1.9
523.34833	23.8
524.35321	2.4
534.18811	2.9
565.18542	3.9
565.35022	2.0
566.19788	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	566.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40279	1.0
56.79034	1.0
58.48774	0.9
58.86923	1.0
59.01381	73.2
61.98830	100.0
65.06865	1.0
65.21954	1.1
69.44651	6.6
69.45058	2.3
71.01384	10.0
73.02930	1.9
85.02951	3.5
87.00891	1.1
89.02431	2.9
101.02428	5.7
101.06053	1.7
113.02444	5.4
119.03482	1.1
148.97751	1.0
149.00899	1.3
161.04475	2.4
327.15881	2.4
337.00452	1.0
391.88968	1.5
399.23956	12.1
417.24777	11.2
459.26181	6.0
566.26312	1.7
566.77264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37749	0.8
59.01381	63.1
60.01707	0.8
61.98822	3.6
68.73848	0.7
70.80952	1.1
70.81268	1.3
76.49036	0.8
78.95901	21.0
98.34296	0.7
100.13215	0.7
110.75425	0.8
134.51340	0.8
152.99586	12.8
171.00629	1.0
180.04436	0.8
194.05846	1.3
212.41669	0.8
236.06956	4.6
245.04292	6.8
253.21637	2.4
254.07967	1.2
255.23289	100.0
256.23621	6.5
301.09406	0.8
459.14069	0.8
466.88263	0.8
481.25510	4.7
492.30948	53.9
493.31274	5.6
566.25385	1.3
566.34546	6.5
567.28296	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	565.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04985	1.2
57.03446	1.6
58.00593	1.2
59.01378	47.2
61.98832	56.6
69.71623	6.4
71.01385	33.9
72.99313	3.6
73.02941	10.6
77.89762	1.0
83.01407	2.1
85.02964	4.9
87.00884	4.3
88.98841	1.2
89.02445	48.5
99.00883	15.9
101.02446	22.1
107.01403	2.2
108.02196	2.6
109.02961	1.8
112.98767	2.1
113.02405	6.3
119.03497	2.6
119.05024	2.5
123.04503	3.1
124.04032	1.4
124.04855	1.4
125.02451	4.4
131.03505	9.5
133.02982	6.1
134.03758	1.4
135.04523	10.7
136.04880	2.0
143.03595	1.3
148.01752	1.5
149.01019	1.4
149.04550	36.1
150.04944	1.4
151.00369	4.7
152.01140	2.4
161.02448	18.8
161.04521	2.7
161.05930	1.1
162.61093	1.0
163.03943	1.4
164.01097	1.5
166.05087	2.6
175.04031	9.8
176.04373	3.8
177.04588	1.3
178.99899	5.4
179.03470	5.2
179.05542	1.2
184.06143	3.5
191.05673	5.7
203.03499	2.3
203.05940	1.8
219.02986	3.1
220.03348	3.3
221.06628	3.6
226.02625	1.9
227.03471	1.7
237.04073	4.7
238.04381	4.6
239.04530	4.0
243.02980	9.0
251.07735	4.6
254.02180	2.2
255.02991	23.6
256.03308	1.8
271.02472	58.0
272.02982	5.0
299.01913	2.1
300.02753	100.0
301.03290	10.8
311.09674	2.0
331.14780	1.8
343.13046	4.4
505.26456	32.3
506.26920	3.3
521.08868	2.2
521.25952	1.5
565.11969	70.1
565.22614	9.7
566.12103	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	565.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46989	0.8
57.03435	1.2
58.00586	1.1
59.01381	39.9
59.87795	0.9
61.98826	11.1
68.99819	1.0
69.64792	1.3
69.65203	4.9
69.72537	1.1
71.01382	10.5
72.99301	3.7
73.02965	2.6
75.00856	1.6
78.03696	1.0
78.95906	100.0
80.40996	0.9
83.01375	1.4
84.99290	1.5
85.02951	4.6
87.00871	11.2
87.04531	2.1
89.02440	3.9
96.96960	23.1
98.19827	0.9
99.00897	1.4
101.02430	5.6
103.00360	9.0
107.04997	1.0
109.02957	3.0
111.95705	1.4
112.98803	18.4
113.02436	6.4
117.03471	0.9
119.03485	0.9
119.05019	1.9
120.96971	2.2
121.02967	1.2
125.02435	1.3
127.00359	3.8
130.99901	6.1
131.03511	1.3
133.02963	4.2
134.02853	1.0
134.03741	6.1
134.34927	0.9
135.04529	54.6
136.04843	2.3
137.02448	4.6
138.98033	5.0
139.00395	2.2
145.02870	1.5
146.03775	1.1
149.00989	1.0
149.06123	1.7
159.04549	1.8
161.02451	10.7
161.04562	2.5
163.03975	5.8
164.04831	1.1
165.05394	1.2
173.02463	1.1
175.04008	1.7
177.05579	1.9
178.02724	2.2
179.03500	42.2
179.07088	3.0
180.03838	1.5
183.13936	2.9
191.03499	4.1
193.05029	2.8
202.23466	0.9
203.03499	1.1
211.13411	0.9
219.02959	16.0
227.12943	0.9
231.03027	2.0
241.01178	6.3
271.19153	36.3
272.19440	1.9
275.02017	1.5
283.10660	1.1
293.03085	18.7
295.19110	1.4
343.28741	1.9
357.17065	2.4
403.19092	26.3
404.19937	3.1
445.23541	3.3
461.31180	2.1
505.33823	9.1
543.26154	2.0
547.26953	4.9
565.27759	48.0
565.76202	1.7
566.28168	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
58.00597	0.4
59.01379	17.1
61.98829	15.4
62.93233	0.4
63.02393	0.5
65.00319	0.9
69.74518	0.5
69.85599	2.4
71.01383	10.2
72.99305	1.1
73.02955	3.2
82.17123	0.5
83.01405	1.3
85.02940	2.4
85.77239	0.5
87.00883	1.7
88.98801	0.8
89.02444	16.8
93.03503	0.7
95.01412	0.5
99.00885	5.6
101.02445	7.1
103.00372	0.9
107.01399	1.6
108.02184	3.7
109.02959	1.0
112.04082	0.8
112.98784	0.8
113.02452	2.1
119.03510	1.3
119.05056	1.1
121.02954	0.8
123.04534	1.1
124.01652	0.8
124.04039	0.9
125.02427	2.2
128.84109	0.4
131.03500	3.1
133.02950	2.3
134.03746	0.6
135.00923	1.0
135.04523	4.6
137.02434	0.9
143.03529	0.9
143.04797	0.5
145.02945	0.5
148.01677	1.1
149.00909	0.9
149.04558	12.0
149.05864	0.6
151.00372	4.4
152.01166	3.3
159.04495	0.9
161.02460	7.0
161.04495	1.1
162.03224	0.5
163.00415	0.7
163.03981	1.0
165.05330	0.5
166.05095	2.0
167.03481	1.3
174.03200	0.4
175.03999	2.0
176.04462	0.7
178.99867	6.1
179.03452	2.7
180.03789	0.4
184.06171	1.8
191.05618	2.6
199.04022	0.9
203.05925	0.7
211.03986	0.6
215.03596	1.0
216.04240	0.6
216.55508	0.5
218.61113	0.5
219.02980	0.9
221.06696	1.2
226.02734	1.1
227.03557	2.7
237.03995	0.7
238.04234	0.6
243.02965	10.4
244.03404	0.8
251.07748	1.3
254.02252	2.7
255.02988	26.9
256.03345	2.1
271.02469	52.0
272.02957	5.8
273.03870	0.7
299.01978	1.8
300.02753	100.0
301.03186	11.6
331.14261	0.6
337.09769	0.6
343.13010	2.0
359.14709	0.6
364.74310	0.5
415.06659	0.8
439.08975	0.5
446.31348	0.6
459.12155	0.6
505.26440	13.3
506.26996	1.2
521.26080	0.5
565.11963	71.6
566.12280	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56743	0.6
52.43851	0.6
57.03449	0.8
59.01380	22.0
61.98832	7.0
62.96399	0.9
70.90088	0.7
71.01393	6.9
72.99300	1.7
73.02951	2.4
75.00874	0.7
78.95906	100.0
82.45643	0.7
83.01405	1.3
85.02962	3.2
87.00880	7.4
87.04468	0.6
89.02435	2.9
95.01390	0.7
95.96179	1.2
96.67139	0.5
96.96967	22.3
99.00914	1.2
101.02436	5.5
103.00405	3.9
107.05013	0.7
108.02179	0.5
109.02958	2.2
111.95663	1.6
112.98822	10.1
113.02458	3.7
119.03532	1.0
119.04983	0.7
120.96976	3.0
121.02959	0.9
124.01684	0.7
125.02460	0.7
127.00378	1.5
130.99844	3.4
133.02979	2.5
134.03746	3.4
134.06139	0.7
135.04530	26.5
136.04826	0.8
137.02443	2.5
138.98056	8.1
139.00363	1.9
143.03560	0.8
146.03735	1.0
149.00952	1.1
149.02310	0.6
149.06126	1.3
161.02434	5.5
161.04543	1.7
163.03990	3.6
164.04742	1.0
175.03972	0.7
178.02744	1.0
179.03502	20.1
179.07123	2.7
183.13824	0.8
191.03474	1.9
193.05005	1.0
211.13438	0.9
219.02966	7.1
221.04778	0.8
231.02988	1.2
241.01221	8.2
253.18097	0.6
256.35675	0.6
271.16180	0.9
271.19153	19.6
272.19391	0.9
275.02005	0.6
293.03073	9.8
294.03320	0.8
295.19315	1.4
322.52676	0.7
341.10858	0.8
343.28485	1.8
403.19702	11.1
403.22845	4.4
445.23700	5.6
461.31216	2.0
505.33902	6.1
543.26483	2.1
543.76636	0.8
547.26776	5.9
565.20190	2.1
565.27826	51.5
566.28198	5.4
574.87518	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2296
Annotation	Excavatolide C
Peak:m/z	Relative Intensity
54.77898	1.4
55.01863	2.2
57.03441	4.1
58.00584	1.4
59.01381	100.0
61.28026	1.1
61.98830	54.0
62.08945	1.3
69.67161	7.8
71.01386	29.7
72.19727	1.2
72.99303	4.2
73.02952	9.1
74.02479	1.3
83.01398	5.5
84.59467	1.3
85.02963	12.1
87.00887	7.9
89.02451	8.8
93.03467	1.7
95.01379	3.0
99.00890	5.5
99.04490	1.4
101.02451	15.0
103.00375	1.5
109.02975	3.1
112.98798	3.4
113.02442	15.8
119.03509	3.2
119.05054	2.5
121.02956	5.2
122.03745	3.7
123.04514	3.9
125.02427	2.1
132.02339	1.2
133.02962	3.5
135.04517	11.3
137.02408	1.4
143.03485	3.1
145.02965	2.2
147.04517	4.0
149.00902	3.7
149.04584	2.5
149.06091	1.7
150.03233	1.9
155.10768	2.1
161.02431	4.9
161.04549	5.9
161.05937	2.7
163.03975	2.4
165.05551	6.7
175.03929	1.8
179.03491	5.9
179.07109	3.1
180.23050	1.2
181.08708	1.6
190.02673	1.1
193.05087	1.4
207.21747	1.3
219.03064	1.8
251.57051	1.2
271.19312	1.4
293.03067	2.6
313.14386	2.1
314.19629	2.0
328.13242	1.6
343.15298	4.2
344.15652	1.2
346.14264	2.4
354.72739	1.2
361.16562	21.4
361.29495	5.6
362.16833	2.1
490.15955	1.9
505.20914	43.7
505.33774	42.5
506.21335	5.7
506.34229	2.9
523.22003	18.9
523.34839	18.2
524.22278	2.5
524.34998	3.1
565.23157	5.3
565.34985	3.8
583.07794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83557	1.1
57.03443	1.5
58.00599	1.8
59.01383	52.8
59.19863	1.0
60.89609	1.1
61.98830	12.3
68.99800	1.4
71.01379	13.8
71.61660	1.7
72.99306	4.7
73.02946	4.2
75.00882	2.3
75.24703	1.0
78.95908	100.0
83.01392	3.0
84.59313	0.9
84.99297	1.7
85.02946	5.7
87.00887	16.9
87.04522	2.9
89.02445	6.2
95.01398	1.6
96.96967	25.9
99.00895	2.9
99.99994	0.9
101.02454	8.5
103.00377	12.6
109.02952	3.3
111.00880	1.8
112.98815	25.2
113.02468	4.8
113.06122	1.0
119.03492	1.3
119.05031	2.8
120.97001	1.4
121.02981	2.4
123.04507	1.3
125.02421	1.9
127.00363	3.8
130.99854	9.3
133.02950	6.4
134.03769	9.4
135.04533	78.0
136.04860	3.4
137.02505	5.9
138.98016	4.8
139.00386	5.0
145.02994	1.5
149.00896	2.0
149.06018	1.5
151.04008	1.7
152.83249	1.0
159.04523	2.7
159.85759	1.1
161.02461	12.7
161.04582	2.8
163.04033	8.0
164.04819	1.5
165.05450	1.3
175.03970	1.7
177.01944	1.5
177.05649	1.2
178.02739	3.0
179.03510	56.3
179.07060	2.7
180.03873	2.9
183.13977	1.8
191.03551	3.8
193.05049	4.2
199.07770	1.2
203.07420	1.3
205.05130	1.6
211.13457	1.3
219.02997	17.1
223.13478	1.3
231.02998	3.0
241.01184	6.9
271.19162	46.9
272.19568	1.4
275.02032	2.0
293.03049	26.1
295.19113	2.9
403.19052	34.1
404.20078	2.1
445.23795	2.9
453.23425	1.4
505.33868	8.5
523.34351	1.3
547.26691	2.7
565.27789	53.7
565.76038	4.6
566.28320	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	565.0481
Annotation	UDP-Galactose
Peak:m/z	Relative Intensity
57.50071	0.3
62.96404	0.7
70.46092	0.4
70.46417	0.8
78.95905	100.0
96.96964	36.6
101.20751	0.3
111.02000	8.0
120.96957	1.6
121.47803	0.3
134.17801	0.3
137.94070	0.4
138.98042	3.5
150.98007	3.0
158.92540	16.3
164.03519	0.5
168.99051	0.4
174.97972	1.2
176.93611	1.3
178.95018	0.4
192.99086	1.2
211.00130	5.2
217.01430	0.4
239.38646	0.3
241.01186	8.4
272.95734	4.7
280.02341	1.8
305.01865	1.1
320.97888	3.2
323.02847	62.6
324.03223	2.3
378.80975	0.8
380.80884	0.7
384.98480	4.2
402.99570	1.6
420.82233	0.5
422.82013	1.1
565.04785	24.2
566.04993	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
58.00566	0.6
59.01379	17.4
61.16317	0.5
61.98832	14.4
65.00323	0.9
69.69896	3.6
71.01379	10.3
72.99315	1.1
73.02930	3.1
83.01389	1.0
85.02952	2.5
87.00864	3.0
88.98808	0.7
89.02443	11.9
93.03445	0.7
95.01365	0.7
99.00862	3.3
101.02444	7.7
103.00385	0.7
106.73864	0.6
107.01410	1.5
108.02159	3.4
109.02972	1.3
112.04069	0.7
112.98822	1.3
113.02432	2.2
115.04002	0.7
116.92854	0.7
119.03481	1.4
119.05034	0.9
121.03014	1.2
123.04529	1.2
124.01627	0.7
124.04054	0.7
125.02423	1.6
131.03513	2.4
132.04565	0.7
133.02948	2.6
135.00848	0.7
135.04530	5.2
137.02419	1.8
145.02980	1.1
148.01678	1.6
149.00905	1.2
149.02512	0.6
149.04568	7.9
151.00319	4.7
151.03976	0.9
152.01208	2.9
153.01898	0.6
159.04449	0.8
160.01683	0.7
160.05188	0.6
161.02452	7.3
161.04524	1.1
166.05092	1.1
167.03506	1.9
175.03986	2.0
175.07622	0.9
177.01909	0.7
178.99890	4.8
179.03471	2.9
184.06091	1.8
187.03960	0.7
191.05605	2.2
205.05197	0.9
210.16371	0.6
214.77638	0.6
219.02980	1.7
221.06668	1.0
226.02711	1.6
227.03531	2.7
229.04976	0.8
243.02965	9.9
244.03572	1.2
254.02180	2.1
255.00917	0.5
255.02953	23.6
271.02463	52.7
272.02859	4.1
299.01917	1.6
300.02744	100.0
301.03262	11.1
306.62561	0.7
316.01245	0.7
330.14096	1.1
331.14273	1.3
343.12952	1.8
505.26254	8.7
565.11963	73.6
565.21686	3.7
566.12250	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	564.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.8
58.00588	2.3
59.01382	100.0
60.01696	3.8
61.98832	69.2
65.12330	1.5
66.75848	1.6
68.99806	1.9
69.03449	2.7
71.01385	36.5
71.61526	1.6
72.99312	4.6
73.02947	24.6
75.00874	2.8
78.95913	3.1
79.77454	1.5
79.95762	1.8
80.58871	1.5
83.01382	9.0
84.99329	1.8
85.02954	11.3
87.00873	13.8
87.04524	2.9
89.02456	11.0
95.01386	2.8
96.95998	11.4
99.00856	3.4
101.02453	32.3
103.00356	6.4
108.02189	2.6
109.02962	2.6
112.60197	1.4
112.98823	13.2
113.02467	14.4
119.03499	4.6
121.02925	1.5
123.04555	1.6
125.02402	3.3
126.25786	1.5
130.99873	3.3
131.03462	3.1
133.02954	3.8
134.03767	3.1
135.04556	22.1
136.04846	6.1
137.02426	3.2
143.03494	3.8
149.00900	3.0
149.04543	5.9
150.03206	3.6
152.01126	5.3
153.01921	1.9
155.10837	2.7
159.53677	1.8
161.02408	4.8
161.04550	11.9
162.02704	2.6
163.03932	2.9
164.04605	2.6
165.05501	2.5
167.03459	2.0
177.01855	2.8
179.03505	10.4
179.07167	3.2
180.03880	5.0
189.05412	1.6
203.05476	2.2
209.11725	1.7
213.68143	1.6
219.02983	3.9
221.06650	2.3
248.88844	1.6
249.31627	1.6
269.17560	5.6
270.17853	4.4
272.21716	1.9
293.02960	2.8
299.09427	2.4
327.12378	2.8
329.38550	1.5
341.27020	2.4
342.27188	4.7
359.27985	10.3
360.28458	12.8
401.17188	2.8
402.17755	6.0
461.31238	4.6
503.32397	5.3
504.32462	12.9
505.33829	2.9
521.33057	4.6
522.33582	13.9
523.34216	2.0
563.34143	9.0
564.15717	3.0
564.25256	7.7
564.34674	72.7
564.75452	4.0
565.34821	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.6
57.03450	3.5
58.00595	1.2
59.01381	100.0
60.01717	0.9
61.98821	2.1
69.03478	1.0
70.38266	1.2
71.01383	26.6
71.05030	0.9
72.99317	1.5
73.02945	7.3
73.03333	0.4
75.00890	0.6
81.03459	0.4
83.01388	4.6
85.02954	10.9
85.06613	0.5
87.00884	3.6
89.02446	12.2
90.02849	0.4
91.13560	0.3
95.01389	2.5
97.02965	1.5
97.06599	0.6
98.20498	0.4
99.00888	3.9
101.02446	19.1
103.00388	0.5
111.00918	1.4
112.01704	0.5
112.98845	1.1
113.02452	17.9
115.03973	0.5
119.03510	4.0
119.05022	0.7
123.04578	0.4
123.08250	0.4
124.01721	0.5
125.02436	2.3
129.01970	0.7
131.03520	0.8
132.02229	0.7
133.03040	0.5
134.03804	0.5
135.04543	2.1
135.08124	0.4
137.02458	0.3
141.09187	0.9
143.03513	2.2
143.10789	2.7
149.00966	0.7
149.04610	0.6
159.03000	1.8
160.01703	1.2
161.02480	0.7
161.04567	9.5
161.05853	0.7
161.13483	0.6
163.04066	0.5
175.04028	1.5
179.03531	0.9
179.05580	2.2
223.03967	0.5
224.04562	0.7
225.04733	0.5
229.18083	4.3
246.15082	0.4
247.31873	0.5
251.03520	0.4
252.04211	5.5
252.06612	0.4
253.04588	4.9
254.04895	4.1
267.06583	8.2
268.06937	8.0
269.07196	8.3
271.02652	0.6
299.25461	0.4
300.02881	1.0
301.03763	0.4
302.81995	0.4
305.16486	0.5
327.09024	0.4
329.26962	0.5
341.26913	2.6
343.28650	0.5
359.28018	6.9
360.28546	0.6
383.28021	2.4
391.23129	0.7
401.29126	0.5
431.13654	0.5
431.22787	0.7
443.30344	0.5
455.30258	0.5
463.08929	0.6
473.31570	0.5
485.31662	1.1
503.32248	44.3
504.32541	4.7
504.38440	0.3
504.57458	0.4
519.11829	0.4
521.33289	17.0
522.33948	1.4
563.25317	1.8
563.34454	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	564.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20002	0.5
59.01369	0.7
61.98834	100.0
64.55786	0.4
70.34863	0.5
83.01384	0.5
83.17830	0.4
83.42181	0.4
88.98808	0.8
93.10562	0.4
99.00948	0.6
101.02479	0.5
103.20198	0.5
109.02976	2.0
125.02474	1.3
133.03027	0.8
135.04568	2.1
147.04559	2.0
148.05334	1.4
149.06099	5.9
159.04518	1.1
161.02477	1.2
161.06076	2.8
163.04008	1.0
163.07730	0.5
173.06088	1.3
174.03210	0.4
175.04047	4.9
176.04765	0.8
177.02017	0.9
177.05588	1.1
185.04645	0.8
189.05591	6.2
190.05942	0.7
191.07098	3.2
193.05069	1.3
203.07193	1.5
205.05093	2.0
211.99174	0.5
217.05011	7.1
218.05446	0.7
219.03001	2.9
221.04500	2.4
235.06107	4.1
237.04033	3.2
237.64313	0.5
251.09267	0.8
277.07239	1.0
279.05106	3.4
295.08188	3.7
325.94202	0.6
339.07202	46.8
340.07669	3.1
386.82162	0.5
440.85751	0.5
501.12512	17.8
502.13168	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	564.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62695	1.6
54.71322	1.4
59.01384	10.3
61.98840	3.4
65.12733	1.4
69.39452	13.4
71.01387	14.4
73.02952	4.9
83.01391	2.5
84.29137	1.3
85.02970	6.9
86.02485	16.4
89.02454	5.6
93.03444	4.7
98.19872	3.0
99.00857	3.5
100.70989	1.5
101.02444	18.1
104.20097	1.5
106.04247	2.1
113.02431	4.5
119.05035	20.6
125.02438	1.8
128.98624	1.5
135.12025	1.4
149.04550	1.8
161.04572	8.3
163.04018	28.7
164.04303	1.9
184.99117	1.4
194.08220	100.0
195.08598	3.8
196.94331	1.5
207.08676	3.9
219.63539	1.8
233.06656	2.5
237.09790	17.5
369.14001	76.6
370.14169	4.3
424.87030	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	563.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
57.03446	3.5
58.00602	0.7
59.01381	100.0
60.01715	0.8
61.98827	1.6
69.03450	0.7
69.26708	0.8
69.27103	3.4
71.01385	19.9
72.99324	1.0
73.02945	5.1
83.01398	3.8
85.02950	11.2
85.06615	0.8
87.00874	1.6
89.02445	4.6
93.07117	1.0
95.01400	3.3
97.02962	1.0
99.00877	2.6
101.02450	11.8
111.00904	0.6
111.08179	0.5
113.02456	15.6
114.02792	0.5
116.54354	0.5
119.03516	1.7
124.01722	0.4
125.02487	1.9
135.04515	0.5
143.03477	2.2
143.10785	6.1
149.00931	0.5
153.12932	0.4
159.03029	0.7
160.01656	1.0
161.04568	7.0
161.13354	1.0
175.03949	0.5
179.05615	0.9
181.12343	0.4
209.15506	0.4
229.18074	2.7
299.02094	0.6
299.25729	0.5
304.09344	0.4
322.64404	0.4
323.25955	0.4
341.26956	1.6
343.28705	0.6
359.28021	7.2
360.28128	0.8
373.22232	1.2
383.27945	0.8
391.23230	1.1
401.29330	0.8
443.30093	0.4
455.30042	0.5
473.31305	0.7
485.31339	0.8
503.32260	52.0
504.32495	5.8
521.26709	0.5
521.33270	11.9
522.33752	1.4
563.25104	1.2
563.34265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32117	0.6
55.01875	1.5
57.03435	3.3
58.00591	1.7
59.01381	100.0
60.01713	0.7
61.98823	3.0
63.25492	0.7
63.36807	0.6
69.03439	1.0
69.22184	0.6
69.70255	3.8
71.01384	32.5
71.05042	1.1
71.55080	0.6
72.99316	2.9
73.02947	9.9
74.80235	0.6
83.01371	3.5
85.02952	14.3
85.03447	1.0
87.00894	4.0
87.04503	0.8
89.02446	39.9
90.02759	0.7
95.00862	0.6
95.01376	3.3
96.96008	0.9
97.02972	1.6
97.06570	3.8
99.00891	12.3
101.02445	25.8
103.00369	0.6
111.00909	1.3
112.98836	1.9
113.02456	14.8
119.03511	3.4
119.05035	2.1
120.05368	0.7
125.02449	3.0
131.03510	6.0
132.02145	0.9
135.04538	2.3
143.03516	4.0
143.10770	1.4
149.01054	0.7
149.04550	25.3
160.01633	3.7
161.04553	8.1
163.04031	1.8
164.04457	0.7
171.10313	0.9
175.04066	3.3
179.05759	1.0
183.13882	0.8
191.05640	5.0
193.05139	1.7
203.03555	1.0
211.13380	2.5
221.06734	2.6
229.14474	2.6
229.18019	1.1
243.19722	2.0
251.07768	2.5
253.09367	4.6
293.03534	0.6
293.08594	0.9
311.09808	1.5
327.21759	14.4
328.22189	0.9
341.26981	1.6
359.28058	7.4
405.25009	0.8
431.26627	0.9
455.30341	0.9
467.29877	1.0
485.31021	1.4
493.52631	0.6
503.32233	41.4
504.32779	2.7
521.33337	17.0
522.33832	1.8
563.25372	4.0
563.34277	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28206	0.4
57.03435	0.8
59.01097	1.0
59.01382	17.8
60.01685	0.6
60.99302	0.6
61.43706	0.5
61.98823	6.3
63.98378	0.5
69.55363	4.0
71.01380	7.6
72.99294	1.4
73.02962	2.7
79.72189	0.5
83.01410	1.0
85.02952	1.9
87.00861	2.4
88.98309	0.5
88.98799	3.4
89.02446	8.4
93.03445	1.5
95.01399	0.5
99.00881	2.7
101.02435	4.4
107.05040	0.8
108.02180	0.6
109.02943	0.9
112.98817	1.3
113.02435	2.2
119.03503	1.2
119.05032	2.7
121.02961	4.1
122.03728	1.7
123.00928	0.7
123.04517	1.0
124.01623	0.6
125.02433	1.6
126.67176	0.6
131.03503	2.2
132.02164	0.5
134.03734	0.8
135.04523	8.5
136.05228	1.0
137.02441	2.9
143.05011	0.6
145.02936	1.7
146.03790	0.8
146.67700	0.5
147.04520	2.3
149.00903	2.2
149.02408	1.7
149.04535	6.5
149.05992	1.1
150.03224	5.8
151.03975	1.7
152.01122	1.3
153.01860	0.6
153.05577	0.7
158.03773	2.7
159.04515	9.2
160.01637	1.9
160.05301	28.7
161.02483	0.8
161.04659	0.9
161.06079	7.2
163.04005	6.9
164.04803	5.7
167.03497	1.1
173.06068	3.5
175.04031	4.4
175.07632	24.3
176.04796	0.6
176.08020	1.1
177.01936	0.7
177.05563	7.2
178.06343	7.4
178.51855	0.5
179.03464	5.6
179.07077	1.4
183.10265	0.8
191.05598	2.3
192.07970	0.7
193.05042	1.2
193.08745	3.0
203.03415	0.9
219.02988	0.6
221.04720	0.5
223.13347	1.3
237.04057	1.1
251.12842	0.8
267.12518	0.7
269.13354	0.6
293.02963	0.6
314.11560	1.2
329.13928	100.0
329.35443	0.6
330.14291	8.5
341.08731	3.8
359.15027	1.9
401.12076	0.7
406.13037	0.6
417.10757	1.1
431.17813	1.2
431.22995	0.8
503.25314	0.8
519.22461	0.6
563.13739	1.0
563.26270	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	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03450	2.3
58.00594	2.2
59.01379	100.0
60.01712	1.4
61.98843	5.4
69.03476	1.7
69.37821	4.8
69.38236	2.7
71.01383	46.0
72.01765	1.1
72.99316	2.6
73.02948	51.2
75.00892	1.0
83.01392	11.4
85.02943	9.6
87.00887	4.3
89.02446	12.8
95.01389	3.2
97.02980	0.9
99.00883	2.6
101.02444	45.8
108.02159	1.9
109.02957	3.1
112.98810	1.9
113.02453	22.6
119.03485	5.6
119.05006	1.1
121.02963	2.5
122.03712	0.9
123.04530	1.5
125.02469	2.2
131.03497	4.4
134.03729	1.2
135.04543	3.1
137.02461	1.5
141.09238	1.1
143.03496	5.6
145.02928	1.1
149.00908	1.1
149.04576	5.3
155.03600	1.3
159.04491	2.6
160.01656	1.2
160.05287	6.7
161.04585	13.1
161.06026	2.3
172.05316	4.3
173.06085	2.5
175.03961	1.6
175.07625	2.7
177.05606	0.9
179.03494	1.8
179.05479	1.2
187.07689	1.5
189.05569	8.3
190.06348	9.4
203.05644	1.4
204.07912	1.5
205.08661	9.1
221.06607	1.7
281.08279	2.0
296.10471	5.2
310.08575	1.1
311.12891	4.3
326.11575	1.0
329.14023	1.1
341.13916	37.1
342.14249	2.8
431.22733	5.3
470.16211	0.9
484.03149	1.0
503.19305	9.8
503.31805	4.0
521.20050	2.8
521.33484	1.1
563.25641	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91223	1.2
55.01886	2.2
57.03446	3.4
58.00601	2.3
59.01382	73.4
60.01693	1.6
61.98835	14.8
68.99779	1.3
70.09769	5.6
71.01391	14.5
71.05019	1.5
72.99313	4.8
73.02931	5.4
78.95905	1.3
83.01380	7.1
84.99315	2.1
85.02953	7.0
87.00883	21.3
87.04520	18.5
89.02438	4.4
95.01406	1.7
95.05030	1.8
96.96024	3.1
97.02946	2.9
97.06583	3.5
98.20540	1.3
99.00885	2.7
101.02460	10.3
103.00390	20.3
105.01904	1.7
107.05016	2.6
109.02947	5.0
111.00841	2.2
112.98817	24.9
113.02458	7.4
119.05045	1.5
121.02955	2.5
123.04513	4.6
124.01650	2.1
125.02466	2.4
125.06082	3.4
127.00366	4.8
130.99873	14.0
133.02960	6.9
134.03798	7.8
135.04532	100.0
136.04839	5.2
137.02440	13.3
138.03215	3.9
139.00365	4.5
139.04019	3.1
145.02917	2.2
147.04579	1.5
149.00916	3.5
149.02444	1.8
149.06120	2.6
150.03227	25.5
151.03990	4.3
152.01132	2.8
155.10814	1.7
159.04465	1.2
161.02444	15.4
161.04564	3.2
163.04005	15.4
164.04787	23.4
165.04039	7.1
165.05542	9.4
167.10756	1.8
175.03923	2.3
177.01862	2.2
177.05592	2.3
178.02728	3.5
179.03500	70.0
179.06877	2.1
180.03835	2.5
185.11771	1.4
187.04083	1.5
191.03430	6.9
191.07138	3.8
205.04840	1.3
209.06381	2.1
209.08192	26.5
210.08592	1.6
219.02988	21.6
223.09734	1.7
231.03029	3.0
234.08983	3.3
235.09888	2.0
249.11292	9.7
253.09334	2.4
269.17572	47.9
269.20575	2.5
270.17911	2.8
275.01990	1.7
283.06042	2.1
284.16443	1.3
293.03055	29.3
294.03424	1.5
299.09521	1.5
300.06369	1.3
301.07187	4.4
315.08847	2.1
316.09366	10.8
327.21884	6.1
341.23029	1.6
341.26697	1.9
359.28003	9.1
401.16284	60.3
402.16669	5.1
503.32208	7.8
521.33173	7.6
563.20233	7.6
563.34583	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	563.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79641	0.7
57.03454	6.5
59.01098	1.3
59.01381	25.0
60.01746	0.7
60.99309	14.9
63.16073	0.8
64.96470	0.9
69.32909	4.4
69.33327	2.7
71.01385	8.1
72.77305	0.7
73.02940	2.2
83.01414	1.1
85.02956	2.7
87.00890	4.4
88.98809	100.0
89.02438	2.9
97.02968	1.5
99.00914	3.6
99.04527	5.4
101.02449	4.7
108.02151	0.8
109.02962	0.9
112.98760	1.5
113.02442	3.8
115.00349	2.2
119.03492	0.9
119.05047	5.4
120.01187	0.9
120.05347	1.9
121.06673	0.8
123.04514	1.5
123.08182	1.2
125.02457	9.2
130.99765	1.0
135.04523	13.7
143.03458	1.3
147.04480	1.0
149.00903	1.9
149.04544	1.2
161.04518	1.9
163.04034	4.9
164.04382	1.2
164.11482	1.0
166.26007	0.8
170.91731	0.8
175.02438	3.9
175.03987	2.7
179.03516	2.5
179.05597	0.9
191.05539	1.0
194.08220	4.8
207.13924	1.4
216.14426	0.8
219.02756	1.1
237.04018	2.2
243.80573	0.8
341.08859	1.2
344.12595	2.0
344.72723	0.8
359.15033	4.6
431.11914	2.9
432.11951	0.9
503.24271	1.4
521.25317	4.3
522.25281	0.9
563.13385	1.3
563.19427	0.8
563.26556	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	563.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.4
58.00599	1.2
59.01377	28.0
60.99308	15.5
70.06451	4.6
71.01386	9.1
72.10256	0.9
72.99327	1.6
73.02945	4.8
75.00857	0.9
83.01389	1.3
85.02960	3.1
86.02486	2.5
87.00877	5.9
88.04047	1.8
88.98804	100.0
89.02451	7.2
89.99157	1.2
93.03462	3.5
97.02962	1.0
99.00886	4.3
99.04522	4.7
101.02428	7.9
103.00397	2.0
109.02956	1.8
112.98805	1.3
113.02434	6.2
115.00367	2.3
119.03519	2.8
119.05021	9.0
119.77464	0.9
120.05359	3.0
120.87508	1.0
125.02444	9.2
125.91154	1.0
131.03473	1.2
135.04517	11.0
137.02425	1.2
143.03549	1.3
143.04617	1.0
147.04510	1.3
149.00926	3.4
149.04608	3.1
161.02347	1.1
161.04501	2.5
163.03995	8.0
164.04367	3.5
175.02469	4.8
175.04065	3.9
177.41837	0.9
179.03532	5.0
179.05623	2.9
190.13409	1.0
194.08200	24.1
203.03560	1.6
203.05505	1.4
207.13948	1.5
211.59370	1.0
228.04117	1.0
237.04022	2.7
241.05040	1.0
288.30737	1.1
290.40704	0.9
299.09378	1.6
318.65118	1.0
329.09091	1.0
336.70547	1.2
344.12692	1.8
359.15112	5.9
429.04486	1.1
431.12387	2.8
432.16962	1.6
521.25616	4.4
563.26697	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	563.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.2
59.01378	52.3
61.98828	6.0
69.03415	1.7
69.50229	2.7
69.50644	6.2
69.88206	1.2
71.01385	32.6
72.99312	1.5
73.02953	14.7
74.93484	1.1
78.83221	1.2
83.01378	1.5
85.02953	4.8
87.00891	3.9
88.98808	6.3
89.02448	35.6
93.03444	1.6
96.87405	1.2
97.02934	1.7
98.19812	1.4
99.00881	38.6
101.02428	9.9
107.05048	2.4
108.02189	2.8
109.02969	2.0
111.62266	1.5
112.98791	1.3
113.02467	10.0
116.92886	1.1
117.03436	2.1
119.03522	2.7
119.05016	4.0
121.02940	1.6
123.04533	3.5
125.02449	4.1
131.03519	10.4
132.02188	1.6
133.02992	1.3
133.06584	1.5
134.03734	3.5
135.04527	89.4
136.04845	3.2
137.02452	4.7
143.03511	2.3
145.02873	1.3
149.00932	2.1
149.02528	1.9
149.04561	39.3
149.63374	1.3
152.01170	2.2
155.03500	3.0
159.04517	3.7
160.01654	6.2
160.05264	6.3
161.02435	1.7
161.04567	3.1
161.05998	2.4
163.04021	5.1
173.06114	1.7
175.04044	8.8
175.07617	6.8
177.05600	2.4
178.06441	2.2
179.03499	100.0
180.03813	4.8
183.10246	19.7
191.05605	15.7
193.05153	1.5
203.03627	2.4
203.05626	11.6
204.23471	1.3
207.10178	3.3
221.04712	1.4
225.11337	1.5
233.06621	7.0
251.12964	2.7
268.12952	1.3
269.04639	2.4
285.06262	3.1
329.13950	30.2
330.14191	1.9
335.10138	1.4
341.08786	39.5
342.09155	1.7
383.11252	1.2
431.18851	4.3
521.26074	1.7
563.14313	3.7
563.25372	8.9
564.25525	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01377	5.2
61.98818	0.3
69.27360	2.3
71.01375	2.5
73.02947	1.0
75.27950	0.2
83.01397	0.3
85.02953	0.9
85.78715	0.3
87.00885	1.1
88.98794	0.6
89.02443	2.6
93.03451	0.3
97.03000	0.4
98.87641	0.2
99.00896	0.5
99.04525	0.7
101.02428	1.7
103.00365	0.3
107.05022	1.3
108.02147	0.3
109.02952	0.3
112.98797	0.6
113.02415	1.2
117.03458	0.7
119.03523	0.4
119.05022	1.1
120.01310	0.3
123.04520	0.4
125.02464	1.5
129.69220	0.2
133.06613	0.7
134.03732	1.7
135.04524	100.0
136.04846	3.3
145.02925	0.3
147.04498	0.6
149.00906	1.1
149.06062	0.8
153.89726	0.3
159.04541	0.3
161.02405	0.4
161.04544	0.9
163.03976	0.5
165.05600	0.5
175.03981	2.3
177.05605	1.2
179.02037	0.2
179.03496	5.1
193.05000	0.3
203.03488	1.2
219.02994	0.8
223.13353	0.7
237.03984	1.7
267.12418	0.6
283.02444	0.5
297.09851	1.1
328.09512	0.3
341.08762	8.3
342.09088	0.5
359.26370	0.2
387.11081	0.3
387.16580	0.6
402.26111	0.2
431.12930	0.2
431.18130	0.4
431.23251	0.4
454.13971	0.2
521.25867	0.5
563.14081	0.6
563.27087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74290	0.7
57.03444	1.6
58.26243	0.7
59.01380	21.0
60.99314	1.0
61.98827	3.3
62.53022	0.6
65.18352	0.6
69.03459	0.8
69.28748	4.8
69.29156	1.8
71.01387	7.3
72.99313	1.6
73.02948	2.6
75.00887	0.7
80.90459	0.6
81.03433	0.9
83.01386	1.4
85.02975	3.4
87.00877	3.7
88.98811	2.8
89.02448	9.2
93.03465	1.4
95.01394	1.1
97.02969	0.8
99.00883	5.3
99.04530	1.5
100.50595	0.6
101.02445	5.3
107.05025	2.3
108.02168	15.9
109.02981	5.3
112.98820	2.1
113.02428	3.1
117.03463	2.3
119.03489	1.2
119.05022	7.1
119.18300	0.6
121.02969	1.0
122.98400	0.6
123.04506	2.9
125.02438	1.0
130.99854	0.8
131.03514	1.4
133.02974	1.4
133.06557	1.3
134.03726	2.8
135.04524	92.7
136.04883	3.3
137.02454	2.5
141.09340	0.6
145.02908	3.7
147.04465	0.8
149.00893	3.1
149.04546	4.5
149.06076	1.2
150.03282	0.7
151.04091	1.0
152.01149	23.9
153.01913	1.6
159.04488	2.1
160.01686	2.2
160.05296	2.4
161.02440	1.2
161.04439	0.8
161.06110	0.8
163.03996	5.9
164.04807	0.9
175.03976	2.9
175.07631	1.4
177.01886	1.9
177.05533	2.3
178.02371	1.4
178.06392	0.6
179.03499	100.0
180.03867	3.7
183.10245	1.9
191.03815	0.8
191.05600	2.1
193.01443	0.7
193.05078	1.9
203.03590	1.3
203.05556	1.5
207.10280	0.8
207.13972	0.8
209.08093	0.8
223.13405	1.7
233.06697	1.3
241.07361	1.1
251.12860	2.3
261.05472	1.1
267.12326	2.6
268.12671	1.2
269.04559	1.1
269.10324	0.8
269.13345	1.3
285.06216	1.9
329.13934	8.1
341.08743	39.9
342.09067	2.6
359.15015	0.8
383.09946	1.0
399.09467	3.1
400.09937	0.7
401.12430	1.1
417.10391	15.1
431.18549	5.6
503.19211	2.9
521.19763	1.5
563.14038	17.1
563.24432	4.4
564.14600	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	563.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83024	0.6
56.23033	0.5
57.03436	1.1
59.01381	13.1
60.01720	0.7
60.95638	0.5
61.98828	3.5
66.78606	0.5
70.39801	1.9
71.01387	9.8
71.35374	0.5
73.02969	2.9
73.81749	0.5
85.02952	2.2
87.00874	1.7
88.98829	1.5
89.02443	8.5
93.03460	0.9
95.05003	0.6
99.00883	3.2
99.93928	0.5
101.02451	5.3
107.05017	0.7
108.02186	0.7
109.02959	0.7
112.98790	1.6
113.02429	2.6
117.03379	0.8
119.03512	0.7
119.05031	10.2
121.02950	1.7
122.03708	1.5
123.04528	29.5
124.04837	0.9
125.02434	1.1
130.04277	0.6
131.03491	1.1
131.05034	1.2
133.02942	0.9
133.06512	0.6
135.04524	21.2
136.04849	0.8
137.02483	1.1
143.03471	0.5
145.02936	1.3
146.03642	0.9
147.04523	8.1
149.00908	1.7
149.02464	1.0
149.04546	7.1
149.06067	5.4
150.03198	1.7
151.00337	0.8
152.01070	0.7
157.03079	0.6
158.03705	1.7
159.04498	1.9
160.05267	3.7
160.27632	0.6
161.02470	1.4
161.04602	1.0
161.06009	1.2
163.04010	6.0
163.11261	0.8
164.04692	0.8
165.05560	4.0
173.06073	0.9
174.03236	4.4
175.04001	100.0
175.07603	3.0
176.04332	4.7
177.01927	9.9
177.05537	2.6
178.02289	1.5
178.06322	1.2
179.02074	1.0
179.03520	15.6
180.03773	0.6
191.03555	0.7
191.05565	1.0
193.05014	3.0
195.02965	4.7
203.03433	1.3
219.02985	34.4
220.03304	1.9
221.01019	0.6
221.06621	0.9
237.04034	81.9
238.04384	3.3
251.05458	0.8
251.07799	0.8
252.05927	1.0
297.09772	1.5
300.02704	0.7
307.35800	0.6
329.13980	15.9
330.14267	1.1
341.08749	7.2
359.15247	0.6
415.43030	0.6
431.23059	1.2
447.91965	0.5
503.18811	1.9
503.25360	1.2
563.14258	3.2
563.25635	1.6
564.36792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1042
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.01868	2.0
57.03455	3.4
59.01382	100.0
59.60730	1.5
61.98830	5.8
69.54169	1.7
69.70325	11.0
71.01384	28.0
71.82586	1.5
73.02946	5.9
83.01389	4.6
85.02950	10.7
85.06591	1.7
87.00909	4.7
89.02455	11.4
95.01363	3.1
97.02980	1.8
97.06593	4.2
98.19966	3.5
99.00895	4.0
101.02448	19.8
105.27323	1.8
113.02457	14.4
117.27460	1.6
119.03512	4.8
121.74480	2.1
125.02474	1.8
129.01849	1.8
143.03441	3.1
149.00905	2.8
160.01613	4.4
161.04547	7.8
175.03964	4.2
243.02985	3.6
243.19650	2.3
248.45653	1.7
255.02919	8.2
271.02444	21.4
299.02011	3.0
300.02759	47.6
301.03091	3.6
315.01642	3.2
315.05109	51.0
316.05228	2.6
349.31607	1.9
359.27866	5.7
485.30182	1.9
503.32263	54.8
504.32587	3.1
519.11359	16.7
521.33221	19.7
563.24957	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	563.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49213	1.2
57.03450	60.4
59.01386	10.5
68.35910	1.2
69.03469	1.9
69.53921	8.6
71.01378	6.3
73.02948	2.2
78.77788	1.1
83.01414	2.0
85.02962	1.8
87.00890	8.6
89.02441	1.3
97.02961	11.2
99.00862	2.4
99.03885	2.6
99.04523	50.6
101.02444	18.5
113.02477	2.4
115.90329	1.3
125.02448	100.0
126.02738	2.1
138.05722	1.2
143.03502	3.9
144.94901	1.3
149.00885	4.2
149.06058	1.4
152.01077	1.4
157.70100	1.2
161.04552	5.5
168.22696	1.2
171.05098	1.1
179.03516	3.1
180.06783	1.9
203.05577	5.5
243.08603	2.5
282.41605	1.4
283.38004	1.4
286.34070	1.3
287.07809	2.1
329.08762	9.0
369.11938	2.0
419.11908	9.5
431.11902	29.3
461.12769	3.2
537.44672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58430	0.6
59.01365	1.0
61.89163	0.7
61.98835	3.1
71.01374	1.2
73.43814	0.6
78.95912	10.8
85.92245	0.6
87.00871	0.8
89.97606	0.5
113.02457	0.9
140.01196	3.1
152.11481	0.7
156.25687	0.7
165.12819	1.1
181.12318	1.7
196.03783	1.7
199.13402	25.3
200.13675	0.8
209.11845	0.6
214.04834	3.0
279.19479	3.7
307.10754	0.6
336.39035	0.7
347.25854	5.3
365.26965	100.0
366.27258	8.8
562.31525	22.9
562.38727	0.6
563.31891	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	562.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99393	2.8
61.98833	100.0
78.95895	17.1
92.18410	2.8
96.95995	3.7
99.42565	2.8
109.91145	2.9
152.99585	14.8
171.10239	9.0
200.30438	3.1
203.81590	3.2
250.89719	3.5
255.23314	24.6
275.33173	3.5
391.22342	6.2
585.44824	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	563.1041
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.59868	0.8
53.89164	0.9
58.00556	1.2
59.01097	1.8
59.01382	31.2
59.76120	0.8
61.98823	3.8
65.00328	0.9
69.41176	8.3
71.01380	10.2
72.99303	1.1
73.02938	3.3
83.01367	1.6
85.02936	5.2
87.00864	2.2
89.02477	4.7
95.01402	1.8
99.00892	1.8
101.02441	5.7
107.01371	1.4
109.02951	1.5
112.98820	2.1
113.02460	8.0
119.03497	1.5
119.04994	1.6
121.02955	1.3
128.88412	1.0
133.02849	1.0
134.03691	1.6
135.00917	1.3
135.04512	6.8
137.02492	1.3
141.09184	1.3
145.02893	1.1
149.00888	4.9
151.00377	5.0
161.04564	2.1
163.00385	2.0
163.03993	2.2
171.04529	1.2
175.04036	2.3
178.99823	1.4
179.03474	3.0
179.07103	1.4
199.03967	4.9
203.03578	1.3
215.03578	2.1
226.02655	2.8
227.03455	3.3
243.02928	11.6
254.02231	3.1
255.03020	8.9
271.02481	89.4
272.02844	7.6
283.02362	1.1
299.01968	100.0
300.02704	56.6
301.03455	16.9
302.03363	1.0
315.05106	43.0
315.08862	2.1
316.05457	3.5
391.23080	1.1
431.22934	3.0
431.59299	0.9
463.08786	46.1
464.09009	4.6
494.58716	0.9
503.25473	1.5
503.32330	8.5
504.09116	15.8
505.09686	2.3
519.11438	89.5
520.11652	10.0
521.26154	1.6
521.33350	3.0
531.07745	2.7
563.26062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14633	0.3
57.03446	0.9
59.01374	1.4
61.98831	100.0
67.29103	0.4
71.01389	1.1
71.60909	0.5
72.99306	1.7
75.00873	0.9
75.42025	0.4
76.73450	0.4
79.95769	0.4
83.01376	0.6
88.98817	1.5
89.02460	0.7
90.71471	0.4
93.05446	0.4
95.01421	0.5
96.96008	2.8
96.96973	0.8
97.02952	0.4
98.02467	0.3
99.00890	1.6
99.04503	0.7
101.02477	0.7
106.09393	0.3
108.02200	1.1
109.02969	1.5
111.00861	0.6
112.57163	0.4
115.00353	0.5
119.05025	0.9
121.03009	0.5
121.06631	0.6
125.02431	1.1
128.03528	0.4
133.02969	0.4
135.04529	2.0
137.02505	0.7
139.00374	1.3
147.04547	0.6
149.00925	1.0
149.06079	9.2
149.07210	0.7
150.06467	0.7
152.01147	2.1
154.10732	0.4
159.04523	0.7
161.02400	2.7
161.06091	0.8
163.04073	1.5
165.01985	1.6
165.05545	0.5
170.33626	0.4
175.04048	1.7
175.60764	0.4
177.01970	1.7
177.05502	0.5
179.03500	0.5
187.04028	0.5
188.04829	0.7
189.05545	0.8
193.05003	2.3
203.07228	0.4
205.05211	0.4
209.43611	0.4
219.02937	4.0
229.05057	0.6
231.02937	0.8
231.06656	0.9
233.04671	1.0
237.04004	6.0
237.06102	0.6
257.04672	0.9
259.02499	3.4
274.05081	0.4
275.05484	0.5
277.03595	1.2
293.06598	0.6
295.11041	0.4
301.03925	0.4
302.09744	0.4
319.04639	1.2
337.05637	12.0
338.06061	0.9
381.08252	0.9
399.09753	0.8
399.15009	0.5
417.10376	0.6
418.10748	0.7
419.11850	0.9
437.10980	0.5
439.09076	0.8
481.09863	22.3
482.10104	2.2
499.10931	7.5
561.87061	0.4
562.16205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81539	0.7
59.01370	1.1
59.24133	0.8
61.98814	2.8
68.01429	0.9
70.06425	3.8
71.01733	0.8
76.86343	0.7
78.95887	2.7
79.79941	0.9
83.42278	0.7
111.08196	1.0
152.99605	2.5
165.12852	11.8
171.10278	1.2
183.13908	100.0
184.14256	3.6
201.94189	0.8
209.11816	7.1
216.06914	0.7
227.12917	5.2
277.21716	70.3
278.22116	3.7
283.15424	1.8
289.96869	1.0
301.16544	5.3
325.10529	1.2
517.26068	0.9
549.02264	0.8
561.38031	6.6
562.38226	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03278	0.4
53.37508	0.4
55.01873	1.7
57.03446	3.2
58.00591	1.0
59.01379	100.0
60.01733	1.1
61.98829	2.8
69.03457	3.6
71.01381	23.7
71.05028	0.9
71.62771	0.4
71.63146	0.5
72.99307	17.5
73.02945	8.0
75.00863	0.9
79.05536	8.4
79.05960	0.7
81.03460	0.4
83.01382	6.1
83.01797	0.5
83.05037	1.3
85.02949	12.8
85.03440	0.7
85.06605	0.5
86.00146	0.5
87.00874	6.0
87.04532	1.2
89.02447	7.4
90.02766	0.5
93.03474	0.9
95.01400	2.3
95.05029	0.8
97.02968	1.6
97.06598	1.3
99.00871	6.3
99.04533	1.1
101.02441	16.6
103.00381	1.5
108.02193	0.5
109.02969	1.1
111.00898	1.4
111.08201	0.4
112.01659	0.7
112.98808	4.6
113.02446	13.2
113.06096	1.8
115.04071	0.4
117.03459	1.0
119.03556	2.6
119.05026	46.8
120.05389	1.4
121.02959	10.0
123.08171	1.4
124.01695	0.7
125.02464	2.4
129.01967	0.5
131.03520	1.4
131.05052	0.4
132.02182	1.3
133.02922	0.7
134.03764	2.6
135.04527	4.4
137.02394	0.5
141.09242	1.1
143.02544	0.5
143.03510	2.2
143.10818	0.5
145.02943	2.8
147.04515	0.6
149.00972	1.5
149.04601	1.4
149.06117	0.9
149.26402	0.4
151.00362	0.5
151.04004	0.5
152.01120	0.6
159.03043	1.0
160.01656	4.3
161.02455	1.4
161.04555	5.4
162.03246	1.0
163.04002	36.1
163.11304	1.7
164.04449	1.8
171.10120	0.4
171.13898	0.7
173.11833	0.4
175.04010	4.8
176.04773	0.6
179.03564	2.9
179.05632	1.2
185.00932	2.3
189.12903	1.2
191.03627	0.6
191.05673	1.1
191.07249	0.8
193.05083	3.2
203.05617	0.6
207.13933	1.1
209.15544	0.7
219.03015	0.9
219.06624	0.5
223.13452	1.5
227.16643	0.5
235.06099	3.0
259.19131	0.4
265.07324	2.1
267.06689	1.0
267.12445	2.6
277.07385	0.7
291.23264	0.6
293.03091	1.4
295.08160	3.4
297.24286	1.3
303.23334	0.6
307.08340	0.7
321.24298	9.2
322.24878	0.6
325.09335	0.5
337.09573	0.7
339.25583	1.6
340.33231	0.4
353.19785	0.6
355.10220	0.4
357.26361	2.4
363.25513	0.9
371.20795	0.5
389.21939	0.7
435.27643	1.1
439.12460	12.9
440.12976	1.4
441.28574	3.7
453.28674	1.1
459.29642	1.2
465.28503	15.4
466.28949	1.2
467.39407	0.5
471.29379	0.7
483.29614	20.2
484.29999	2.4
501.30655	32.0
502.31061	3.2
519.24512	3.0
519.31622	18.7
520.32428	1.6
525.31274	0.6
561.16180	4.3
561.25604	5.5
561.34143	3.7
562.25476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	14.0
59.01382	100.0
61.98823	22.5
62.10198	3.6
68.29394	3.6
71.01382	38.8
71.09607	6.9
72.99309	6.4
73.02971	7.5
81.03481	5.5
83.01392	12.4
83.05015	4.1
85.02966	14.0
87.00884	37.9
88.98826	13.4
89.02456	24.3
95.01424	5.8
95.05048	4.6
96.96020	13.4
97.02953	6.1
97.06613	9.5
99.00913	7.4
101.02453	32.7
103.00381	7.8
109.02975	6.8
112.98808	15.6
113.02454	18.7
119.03532	4.8
119.04965	3.8
121.02953	7.1
121.06595	5.5
123.04564	4.3
125.09711	17.9
130.99818	9.1
131.03458	4.7
133.02983	6.2
135.04514	14.3
137.02460	5.5
137.09729	8.7
139.31630	3.6
141.12863	4.6
149.00932	6.2
161.02412	3.8
161.04572	12.2
163.11325	10.7
165.12746	4.1
167.10779	5.8
171.10262	21.7
173.06137	6.1
175.04013	5.6
179.03445	7.4
185.11871	23.3
187.07576	4.3
191.14388	20.0
207.10295	7.6
209.11868	46.9
211.13295	6.2
213.09404	5.1
225.11340	7.1
227.12881	11.5
245.19122	31.2
251.16632	4.8
253.09264	25.7
289.18109	68.9
307.19174	46.2
308.19345	4.9
325.20233	4.3
519.24261	4.4
561.22443	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	561.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03451	5.6
58.00593	1.5
59.01380	100.0
59.99109	0.4
60.01711	0.8
61.98846	2.5
68.02535	0.4
68.99825	0.6
69.03458	2.0
69.27317	3.9
71.01385	29.7
71.05014	1.8
72.99312	2.2
73.02950	9.5
75.00864	0.4
81.03449	0.5
83.01378	4.2
83.05058	0.5
85.02949	11.8
85.06612	1.3
87.00883	5.4
87.04532	1.2
89.02448	10.6
95.01398	2.6
95.05046	0.7
97.02966	1.5
97.06594	1.6
99.00883	5.4
99.04501	0.7
101.02444	17.5
103.00394	1.3
107.05049	0.5
109.02966	0.9
109.06628	0.5
111.00897	1.1
111.08180	0.4
112.01649	0.5
112.98804	4.3
113.02452	17.8
113.06046	0.6
113.09746	0.5
114.02798	0.6
119.03516	3.4
119.05000	1.7
121.02980	0.5
121.10226	0.5
123.08180	1.5
125.02483	2.1
127.03996	0.6
127.07627	0.5
128.99271	0.6
129.09221	1.0
129.88585	0.3
130.99878	1.0
131.03545	0.8
133.02951	1.0
134.03748	1.0
135.04523	8.4
136.04839	0.5
137.02519	0.7
137.09692	0.7
139.00386	0.8
139.04079	0.4
139.11281	1.0
141.12849	0.4
143.03511	3.2
143.10809	2.1
149.00964	1.5
149.04553	1.4
151.00377	0.5
151.04054	0.6
151.11295	0.5
157.12350	2.2
159.03029	0.8
161.02501	3.1
161.04552	7.2
163.03996	2.7
163.11302	1.4
167.03537	0.4
171.10303	0.9
173.11841	1.2
175.04005	0.9
177.05702	0.4
178.99995	0.5
179.03497	5.4
179.05649	1.4
179.10864	0.5
181.12274	1.0
183.13908	0.9
185.00911	0.9
186.12662	0.4
187.13441	1.2
189.12889	0.9
191.03563	0.6
191.05618	0.8
197.11911	0.5
197.15450	0.5
199.13400	0.6
201.14996	1.2
205.05220	0.5
207.13910	1.5
213.15039	0.6
219.02969	3.2
220.03427	0.5
223.13437	2.1
223.17024	0.8
227.12946	0.9
227.16531	0.5
228.13605	0.7
231.03079	0.6
251.20270	0.4
252.04326	1.0
253.09291	1.1
267.06708	1.6
267.12399	4.9
267.15988	0.9
267.19772	1.2
287.15070	0.9
293.02966	3.8
297.24265	0.8
309.24197	0.5
321.24344	1.3
325.20325	1.6
327.25449	0.5
339.25406	6.1
340.25610	0.5
341.27057	0.7
353.23462	1.6
355.24887	0.6
357.26428	13.1
358.26944	1.0
381.26465	1.5
385.20563	0.6
399.12769	1.2
399.17218	0.8
399.27652	0.9
429.21170	0.6
465.28738	0.4
471.30392	0.5
483.29791	1.0
501.30701	41.1
502.31088	4.5
519.24432	2.6
519.31628	16.8
520.25305	0.4
520.32428	1.7
543.32056	0.9
561.15656	1.0
561.25726	2.4
561.33368	8.3
562.33478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03450	3.2
58.00589	2.8
59.01381	100.0
60.01728	2.0
61.98829	4.8
69.03465	1.6
71.01386	53.9
71.38615	1.9
71.38960	2.1
72.99307	5.2
73.02949	18.7
75.00884	1.4
75.54271	1.4
78.34029	1.4
83.01399	2.7
85.02953	12.2
87.00887	10.2
89.02450	86.6
90.02792	1.8
90.05287	1.3
95.01400	1.7
97.02948	2.1
99.00893	37.5
101.02446	46.3
101.24019	1.5
103.00381	3.4
108.02187	7.6
109.03004	2.5
112.98822	16.9
113.02438	13.8
119.03506	3.8
119.05035	21.5
121.02975	6.9
123.08187	2.2
125.02433	4.1
131.03511	16.7
133.02980	2.3
134.03789	2.5
135.04517	9.9
137.02458	2.7
139.00439	1.5
143.03502	4.8
145.02943	3.4
147.04631	2.0
149.00893	3.8
149.04555	73.1
152.01173	12.9
161.02451	3.3
161.04562	10.7
161.05937	2.6
163.04019	25.1
163.11269	1.9
175.04039	2.3
177.01930	1.7
179.03500	5.2
191.05600	15.4
193.05035	1.8
203.05655	2.9
205.05061	4.7
207.13770	2.7
221.06688	6.0
223.13304	1.9
226.93820	1.6
233.06631	2.0
251.07672	6.3
267.12335	3.5
268.80127	1.4
293.09012	2.0
311.09833	3.3
339.08591	2.1
429.21631	3.2
448.46497	1.8
450.34824	1.5
501.23257	2.9
519.24371	11.4
561.15656	10.3
561.25104	18.3
562.25677	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	561.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03442	2.5
58.00603	1.2
59.01381	100.0
60.01725	0.5
69.31685	1.7
69.32121	1.9
71.01383	34.2
72.99311	1.5
73.02950	19.5
75.00878	1.0
83.01390	4.6
83.05041	1.6
85.02953	11.4
85.49648	0.4
87.00872	2.9
88.98824	1.4
89.02449	19.1
90.59931	0.5
95.01386	2.5
97.02946	1.5
99.00887	25.4
99.04528	0.7
100.01204	0.4
101.02445	17.1
102.06938	0.4
107.05045	0.7
108.02212	0.5
111.00931	0.7
111.04569	0.4
112.01684	0.6
113.02451	15.8
119.03516	3.7
119.05028	0.6
120.01242	0.7
121.10271	0.7
121.81288	0.4
123.08165	12.7
124.08572	0.5
125.02457	3.3
131.03487	4.9
135.04500	0.6
137.09731	4.4
143.03491	2.8
149.04558	11.0
149.09732	0.5
152.01234	1.0
153.09201	1.0
155.03598	0.9
155.08650	0.5
159.02998	1.0
161.04561	9.2
161.05855	0.7
163.03972	0.6
163.11293	11.3
171.11760	0.6
173.09738	1.2
179.05647	1.6
189.12857	17.7
190.13202	1.0
191.05620	8.3
203.05606	4.8
207.13896	21.5
208.14220	1.4
223.13452	1.3
225.14949	3.9
233.06679	2.4
255.33685	0.4
267.12369	1.3
269.94080	0.4
277.03366	0.4
293.08813	0.5
321.17084	1.3
369.19144	1.5
387.20209	4.6
429.21451	3.7
430.21671	0.6
483.21744	0.4
501.23407	3.2
519.24475	40.7
520.24847	4.5
543.24603	0.6
557.66449	0.5
561.25537	72.0
562.25842	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	561.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03439	4.5
58.00594	2.8
59.01380	100.0
60.01719	2.1
61.98825	5.4
66.92149	1.1
69.03409	1.0
69.84623	5.0
71.00990	2.4
71.01385	44.8
72.86082	1.0
72.99293	6.9
73.02945	17.2
75.00858	1.1
79.95728	1.8
83.01373	6.3
85.02952	10.5
87.00864	11.4
89.02446	65.8
95.01381	1.6
96.96011	68.0
97.02920	2.0
98.19916	1.6
99.00881	24.4
99.04531	1.6
101.02442	35.5
102.02829	1.3
103.00386	1.9
108.02176	1.5
109.02939	1.8
111.00856	1.5
112.98795	4.8
113.02460	19.0
115.00329	1.3
117.44474	1.2
119.03511	7.0
119.05015	5.3
121.03012	1.2
123.08165	1.4
125.02465	2.8
130.99864	2.1
131.03493	10.8
133.02957	1.3
134.03737	1.3
135.04544	7.2
137.02417	2.3
137.09688	1.4
143.03450	3.3
149.00912	11.8
149.04556	40.8
150.04880	1.1
151.07597	1.5
152.01105	1.3
161.02411	2.2
161.04552	7.0
161.13313	1.6
163.03999	4.7
163.11255	3.7
177.01952	2.0
179.03508	5.5
179.05640	1.5
181.12386	1.2
186.47980	1.3
189.12810	2.1
191.03824	1.6
191.05598	11.5
195.04987	1.1
203.05562	1.6
205.12328	3.2
207.10124	2.1
207.13889	3.0
219.02943	2.6
221.06645	3.9
223.13367	17.8
225.14973	10.5
233.06564	1.7
234.58586	1.2
249.11285	4.1
251.07626	3.7
260.39261	1.1
265.14398	1.3
267.12405	15.0
268.12753	1.4
271.02499	2.0
280.69083	1.2
293.02908	3.2
293.08640	1.5
300.02725	3.2
301.03366	1.2
311.10031	2.0
325.11777	1.3
369.15225	2.9
369.19193	9.2
387.20197	12.9
399.09821	1.2
429.16708	15.1
429.22009	5.0
463.08557	2.0
501.23645	7.5
519.24438	32.1
520.24811	3.8
561.17664	4.0
561.25531	40.0
562.26306	5.8
587.56378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03451	2.4
58.00586	1.0
59.01381	100.0
60.01704	1.1
61.98807	0.7
69.03459	1.8
69.36808	5.8
71.01385	35.5
72.81320	0.5
72.99313	2.1
73.02947	19.5
81.03461	1.1
81.07120	0.8
83.01395	4.7
83.05025	1.3
85.02959	14.4
85.03453	1.2
87.00890	3.8
88.98816	2.3
89.02448	20.7
95.01392	2.8
97.02956	2.8
98.19844	1.3
99.00883	28.5
101.02443	17.6
109.02941	0.9
111.00902	1.4
112.01698	0.7
112.98827	0.9
113.02450	22.2
114.02782	0.8
119.03476	3.3
119.05049	0.8
120.01272	0.7
123.08164	11.0
123.30251	0.6
125.02469	4.1
131.03528	4.5
137.09750	3.7
139.03987	0.8
143.03526	4.2
145.02998	0.7
149.04553	12.9
155.03561	1.4
159.03001	0.8
161.04539	10.7
163.11285	11.8
171.11734	0.8
173.09543	0.7
179.05620	2.3
189.12856	13.2
190.13187	0.9
191.05605	9.9
203.05603	4.9
207.13896	19.2
208.14290	0.8
223.13367	0.9
225.14957	4.4
233.06691	2.0
257.06583	0.7
267.12354	1.5
293.08777	1.3
321.16922	0.9
335.09891	0.7
369.19217	1.3
387.20148	4.1
429.21420	3.5
435.97287	0.7
471.15619	1.0
501.23349	9.8
502.23895	1.4
519.24463	41.4
520.24744	4.4
561.25525	63.0
562.25800	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	561.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47603	0.7
57.03447	2.5
58.00614	1.0
59.01380	100.0
60.01717	0.8
61.98843	4.6
67.19358	0.6
68.99820	1.8
69.03459	2.2
69.48057	5.2
71.01383	16.1
71.05020	1.1
72.99308	5.7
73.02953	5.4
80.49552	0.7
83.01400	3.0
83.05034	1.3
84.99320	1.7
85.02942	6.3
87.00877	22.6
88.01253	1.0
88.98798	1.6
89.02451	8.4
95.01432	1.3
96.96039	1.0
96.99306	1.0
97.06602	0.9
99.00884	6.3
99.04533	3.3
100.04929	0.7
101.02441	9.3
103.00371	9.5
105.01947	1.5
107.05058	1.3
108.02216	1.0
109.02970	4.6
111.00905	1.4
112.04024	5.2
112.98811	18.9
113.02443	8.4
113.99146	1.0
117.03500	1.2
119.03519	2.6
119.05021	3.5
121.02983	0.8
123.08144	1.2
125.02451	2.6
127.00371	3.7
130.99857	5.2
131.03531	1.2
133.02960	6.4
134.03722	5.4
135.00969	1.1
135.04529	64.7
136.04898	3.0
137.02475	4.8
137.05057	0.7
139.00401	2.9
141.09215	0.7
143.03528	2.3
145.02982	2.5
147.04564	1.2
149.00914	25.1
149.04565	1.5
149.06116	1.6
151.04022	1.0
153.01968	1.6
161.02458	13.8
161.04604	3.1
161.13374	1.3
162.02953	1.1
163.04007	8.2
163.11353	2.0
164.04622	0.7
173.02443	1.2
175.03972	1.2
175.95503	0.7
177.05583	1.4
179.03499	45.7
180.03938	2.7
181.04022	0.7
185.00989	1.0
187.04085	0.8
189.12933	1.1
191.03557	4.2
191.05594	1.1
193.05113	0.8
203.03551	1.1
203.05554	1.4
203.14313	1.0
204.14780	1.2
205.05107	1.4
207.13959	1.6
219.02983	19.9
220.03505	1.5
221.15382	4.7
222.15857	3.1
223.13405	31.1
224.13745	1.4
225.15053	1.4
231.02983	3.5
233.35231	0.8
252.04269	1.2
255.03163	0.8
265.14493	10.2
266.14786	9.4
267.06750	3.1
267.12390	42.6
267.15067	6.0
268.12848	2.5
275.02167	2.7
293.03030	25.2
293.06235	1.1
294.03519	1.7
295.03616	0.8
297.08188	0.7
311.04272	2.0
321.24652	1.0
325.20392	0.9
356.03616	0.7
357.26642	2.0
381.11801	1.0
399.12912	24.5
400.13583	1.0
429.20258	3.7
465.28571	0.9
483.29898	2.1
501.24081	0.8
501.30814	7.3
519.24554	3.5
519.32056	4.6
535.56073	0.7
560.32135	0.9
561.17059	1.5
561.25043	5.9
561.34021	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	561.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
57.03448	3.6
58.00584	1.3
59.01378	100.0
60.01709	1.4
61.98824	3.9
68.99816	1.0
69.03453	1.5
71.01382	21.9
71.05031	1.4
72.01747	0.8
72.99306	2.9
73.02949	7.8
75.00885	1.0
79.60575	0.6
83.01388	4.2
84.99328	1.4
85.02950	10.1
87.00875	13.4
87.04538	1.0
89.02448	8.3
93.03449	1.1
95.01389	1.7
95.05045	0.7
97.02964	1.3
97.06602	1.1
98.20630	1.7
99.00886	5.4
99.04511	1.7
101.02444	15.6
101.03077	1.0
102.02813	1.7
103.00403	2.4
103.02876	0.9
105.01984	0.9
107.05042	0.8
109.02960	2.5
109.06639	0.8
111.00855	1.1
112.98811	15.3
113.02457	10.4
119.03512	2.6
119.05020	0.9
121.02957	1.0
123.08189	1.7
124.01749	0.6
125.02491	2.6
127.00391	2.5
130.99878	2.1
131.03537	0.8
133.02940	4.2
134.03764	2.3
135.04529	23.4
137.02415	3.9
139.00356	2.8
143.03535	2.3
145.02931	1.2
147.04535	1.4
149.00896	5.8
149.04550	1.5
149.06009	1.1
152.01202	0.6
153.43477	0.6
159.03061	1.2
159.04411	0.6
161.02467	9.2
161.04530	4.0
161.13435	1.0
163.03999	5.5
163.11322	2.3
164.04625	0.6
171.10226	0.7
171.13957	0.6
173.02524	1.0
175.04024	0.9
177.05563	1.0
178.99945	0.7
179.03496	9.2
179.05602	1.3
187.04062	1.1
189.12938	1.2
191.03566	2.6
191.05550	0.7
197.11896	0.7
205.05054	0.7
205.12317	0.7
207.10345	1.7
207.13879	0.9
209.11862	0.6
211.07599	0.6
219.02969	12.5
223.13385	22.6
223.15611	1.1
224.13774	0.6
229.73529	0.7
231.03065	2.6
239.03577	1.0
253.09306	2.3
264.44922	0.5
267.02994	1.7
267.12366	45.4
268.12735	1.8
275.02063	1.8
282.05383	3.1
284.03378	1.2
289.17999	0.7
293.03027	19.6
293.06250	1.2
294.03525	1.1
297.07657	3.2
297.37894	0.6
325.20090	4.0
339.25458	2.3
357.26321	5.1
373.26022	0.6
399.12955	29.2
400.13474	2.3
417.25098	1.0
500.29395	0.7
501.30637	15.7
502.31335	0.9
517.21570	0.8
519.24725	2.2
519.31976	8.1
560.28900	1.9
560.78326	2.2
561.16071	1.2
561.25562	3.2
561.33203	13.4
562.33868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03441	2.9
58.00584	2.7
59.01379	100.0
60.01707	1.1
60.99303	0.8
61.98829	7.0
64.49138	0.7
65.08370	0.8
68.99828	0.8
69.03445	1.9
69.48370	2.5
69.48793	3.3
71.01384	18.0
71.05013	1.2
72.99316	5.1
73.02952	6.6
74.84803	0.7
77.75996	0.7
83.01392	2.2
83.05059	0.8
84.99306	1.3
85.02940	6.5
87.00873	25.8
87.04517	1.0
88.04027	1.1
88.98813	1.2
89.02449	11.4
91.05542	0.8
95.01390	2.1
96.96040	0.9
97.06599	1.0
99.00870	7.3
99.04533	2.8
101.02449	12.1
101.94258	0.8
103.00381	11.5
105.01946	1.9
107.05027	1.3
108.02184	1.6
109.02970	5.6
111.00900	1.0
112.04038	7.4
112.98811	19.0
113.02448	9.4
117.03451	0.9
119.03497	3.4
119.05026	3.8
121.02901	1.4
121.06618	1.1
123.04444	1.1
123.08121	1.8
125.02444	2.8
127.00352	4.8
130.99876	6.6
131.03436	0.8
132.02179	1.1
133.02959	4.9
134.03758	5.1
135.04527	74.4
136.04922	4.1
136.05789	0.7
137.02437	4.3
139.00360	4.2
141.09119	1.1
143.03499	2.3
145.02985	2.6
149.00919	27.7
149.02209	1.7
149.04507	2.2
149.06075	1.5
150.03218	1.6
151.00409	1.0
151.03972	1.3
152.01216	1.0
153.01926	1.5
159.04475	2.0
161.02457	18.5
161.04500	5.3
161.13336	1.7
163.02901	0.9
163.04013	9.1
163.11256	2.2
173.02437	1.3
175.04095	1.3
177.05524	1.9
178.99971	1.5
179.03494	52.8
180.03828	2.9
185.00909	1.7
187.03995	1.0
189.12811	1.5
191.03487	6.3
191.05573	1.4
203.03638	0.9
203.05518	1.7
203.14307	1.0
205.05017	1.5
207.10248	1.7
207.13857	2.6
219.02974	20.2
220.03389	1.4
221.04614	1.3
221.15506	2.7
222.15779	1.8
223.13385	32.8
224.13785	1.4
231.02950	3.9
252.04240	2.0
257.17426	1.3
265.14389	9.7
266.14813	6.9
267.06693	3.9
267.12393	44.0
267.15088	5.4
268.12726	1.9
275.01959	1.4
277.03879	0.8
293.03003	25.5
294.03400	2.4
311.04047	1.5
321.24509	0.9
325.20215	1.0
381.11850	1.3
399.12939	27.9
399.24170	0.9
400.13062	1.2
429.15338	1.3
429.20462	2.7
449.55661	0.9
465.27917	1.1
501.30710	10.7
519.24219	3.9
519.31769	5.5
560.31604	1.1
561.15997	1.6
561.25940	6.4
561.32611	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.6
58.03816	0.5
59.01382	6.8
59.80114	0.5
61.98839	0.6
67.29834	0.5
67.68977	0.5
70.08441	0.9
70.08855	1.7
71.01392	2.7
72.99337	1.0
73.02968	1.8
79.95756	0.8
80.96531	2.2
83.01408	0.7
85.02990	1.5
87.00874	1.0
89.02480	1.1
94.98106	0.8
95.01420	1.2
99.00912	1.3
99.04525	3.3
101.02450	2.2
102.33104	0.5
108.02179	49.7
109.02979	16.5
109.41790	0.5
113.02474	1.4
119.04975	0.6
119.52652	0.5
123.04517	1.1
125.02460	0.7
126.43156	0.5
127.80952	0.5
131.03569	0.6
133.03058	0.6
134.03786	0.6
135.04507	2.0
140.74815	0.5
143.03514	0.7
145.02995	0.5
151.04012	2.3
152.01155	100.0
153.01932	4.5
161.02556	0.7
161.04565	2.9
161.66940	0.4
163.04024	4.3
164.98596	0.5
175.04016	0.8
177.01892	0.8
179.03493	1.6
188.61913	0.6
193.05093	0.6
225.00673	0.8
241.07182	3.7
267.05185	0.9
285.06152	1.8
373.11221	1.8
399.09167	9.0
417.10385	68.6
418.10736	5.0
459.11447	22.8
460.11661	2.1
474.92459	0.6
499.14551	7.3
519.24152	0.6
543.17090	1.7
561.14276	30.4
562.14856	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	561.1612
Annotation	Glycyroside
Peak:m/z	Relative Intensity
52.78303	0.2
55.26110	0.2
59.01384	2.9
61.98829	0.4
69.03458	0.6
69.38855	1.2
71.01384	1.2
73.02953	0.7
83.05023	0.4
85.02943	0.3
87.00881	0.3
89.02455	1.2
89.79410	0.1
97.02950	0.3
99.00880	0.8
101.02437	0.6
101.06060	0.3
111.04522	0.4
112.98793	0.3
113.02462	0.7
113.09735	0.2
119.03510	0.2
119.05007	0.2
125.02455	0.4
127.03988	0.2
132.02165	3.3
134.03763	0.2
135.00023	0.2
135.00833	0.9
135.04504	0.4
137.02467	0.2
141.01939	0.2
141.09230	3.3
143.03477	0.2
145.54237	0.2
149.00958	0.2
151.04037	0.2
153.01913	0.2
161.04562	0.2
163.04002	0.4
179.03468	0.2
180.05827	0.1
185.00934	0.5
191.05617	0.3
195.04501	1.4
196.05270	0.3
208.05286	1.9
223.04005	6.7
224.04716	2.2
233.06773	0.2
251.03488	4.6
252.04277	58.6
253.04604	3.5
267.06622	100.0
268.06967	5.9
293.08951	0.2
331.24869	0.3
375.27411	0.5
387.27582	0.8
462.28772	0.2
499.32861	0.4
501.30637	0.3
510.27386	0.2
517.34082	0.5
561.31421	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76914	0.3
55.01881	0.7
57.03446	1.2
58.00590	0.9
58.93551	0.3
59.01381	28.6
60.01702	0.4
61.98829	0.8
69.03461	1.3
71.01382	6.0
71.05012	0.3
72.99307	1.4
73.02946	5.3
80.02684	0.3
80.66355	0.2
83.01397	1.5
83.05038	1.0
84.99301	0.6
85.02969	2.0
85.06590	0.3
87.00880	15.2
89.02448	2.8
93.03462	0.9
95.01396	0.6
96.96035	0.5
97.02938	0.6
99.00871	2.3
99.04502	0.4
99.92603	0.3
101.02444	5.1
101.06078	0.9
103.00369	6.7
107.05005	0.3
108.02178	0.5
109.02944	1.0
111.04527	1.1
112.98816	7.4
113.02454	3.3
113.09731	0.4
115.92049	0.8
116.92879	2.4
119.05028	85.0
120.05353	3.1
121.02969	0.7
123.04558	0.5
123.08165	0.7
125.02443	0.8
127.04001	0.6
130.99867	3.6
131.03513	0.6
133.02959	0.8
134.03716	0.4
135.04549	3.3
137.02451	0.4
141.09222	8.9
143.03450	0.6
145.02925	0.5
147.04480	0.3
149.00917	0.9
149.02422	0.4
149.04547	1.4
149.06006	0.3
152.01091	0.4
159.04451	0.3
161.02438	1.2
161.04552	1.7
161.05934	0.3
163.04010	100.0
164.04353	3.8
175.03952	0.7
177.05582	0.5
179.03490	1.1
179.05722	0.5
185.00887	1.1
189.12846	0.5
192.99698	0.7
193.05063	0.4
203.07211	0.6
205.05110	0.4
207.13916	0.4
209.02744	2.2
219.03091	0.5
223.13396	0.9
244.64079	0.3
252.04247	0.6
253.01709	1.0
256.54739	0.4
267.06509	1.0
267.12427	1.6
295.02866	1.5
309.11386	0.7
320.62805	0.3
331.24939	1.0
339.12305	0.8
357.09494	0.4
375.27609	0.3
385.02563	0.3
387.27573	2.4
429.11871	14.2
429.20959	0.5
430.12231	1.0
473.34683	0.6
493.55560	0.3
499.32736	1.2
501.23676	0.4
501.30670	1.1
517.33838	1.0
519.24969	1.4
519.31439	0.6
558.34772	0.4
561.11841	2.6
561.23932	1.8
561.32837	0.7
562.14172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
67.83696	0.1
69.44675	1.0
71.01371	0.2
81.77466	0.1
91.05569	0.2
95.01379	0.4
97.02971	0.2
108.02193	0.5
109.02972	1.4
121.02947	2.1
122.03719	0.2
123.00874	0.8
123.04523	0.4
124.01655	2.2
125.02500	0.9
133.02968	0.5
133.10262	0.2
134.03741	4.5
135.04529	1.9
135.08130	0.2
136.01643	0.9
137.02452	1.0
138.03255	1.1
139.04021	1.7
145.02898	0.2
146.03601	0.2
147.04530	1.8
147.08176	0.7
148.01813	0.1
148.05309	4.3
149.02437	2.1
149.06059	0.2
150.03221	18.6
151.04024	2.4
152.04758	0.9
159.04504	0.6
159.11865	0.2
160.05310	0.8
161.02400	0.2
161.06123	0.7
161.09782	0.1
162.03215	0.8
163.04004	2.2
164.04807	0.6
165.05562	9.4
166.05916	0.3
173.06094	0.9
174.03064	0.2
175.04021	0.3
175.07655	1.4
177.05725	0.8
177.09204	13.0
178.09526	0.4
185.06110	0.2
187.07654	2.0
188.08459	1.7
189.09204	11.2
190.09628	0.6
201.09213	0.7
203.10770	39.6
204.11099	2.0
215.10786	1.2
216.11275	0.2
217.12344	0.5
220.07379	0.3
225.05643	0.2
227.07057	0.4
253.05060	0.5
256.03680	0.5
270.05389	0.1
271.06131	2.8
279.06693	0.2
281.01309	0.1
284.06839	0.2
285.07700	0.5
286.08472	2.5
287.08975	0.2
295.13467	0.2
297.07715	1.6
311.09317	0.2
322.12152	0.4
323.12973	1.0
325.10870	1.1
326.11133	0.2
337.14362	0.2
339.12317	0.3
340.08923	0.2
340.13113	3.7
341.13467	0.3
353.14017	0.2
354.14529	0.2
355.15488	100.0
356.15814	9.1
499.19720	0.5
517.20673	0.5
518.20886	0.2
559.21814	7.4
560.22394	0.7
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
59.01383	17.1
61.98829	2.6
70.05077	4.6
71.01397	3.9
87.00867	2.0
89.02450	3.5
101.02463	3.6
102.77623	1.6
113.02455	1.5
121.23140	1.5
183.27409	1.4
235.08075	1.7
253.09282	15.7
263.20172	100.0
264.20486	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	559.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	1.4
59.01378	18.1
61.98835	4.9
71.01384	3.1
71.61093	1.1
71.61510	1.6
78.19558	1.0
78.68108	0.9
78.95908	18.8
85.02926	1.1
87.00881	1.7
89.02462	3.2
96.96996	1.8
101.02435	3.3
113.02442	1.8
133.05133	1.3
140.69926	1.1
152.99591	4.3
161.04495	1.3
171.00594	2.1
179.05696	1.3
201.50276	1.1
235.08192	3.0
248.07697	1.1
253.09315	15.3
263.20145	100.0
264.20462	6.2
474.26202	13.2
485.31757	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03442	1.6
59.01384	5.7
61.98824	2.9
66.65231	0.6
71.01379	3.1
71.10436	1.5
72.99309	2.8
73.02935	0.9
74.02829	0.7
78.95934	0.9
80.96520	1.6
83.01424	1.2
84.04556	4.9
85.02945	1.8
87.00885	2.7
88.04044	29.1
89.02435	1.5
95.01384	1.6
95.97617	1.5
96.96005	1.2
97.02916	0.9
97.27023	0.7
99.00898	1.3
101.02460	1.2
103.00347	0.9
108.02176	43.4
109.02977	16.1
112.98811	0.9
113.02449	1.1
116.92828	1.3
118.05161	1.6
119.04980	1.1
121.02952	1.4
123.00927	0.9
123.04535	1.5
124.36366	0.7
125.23544	0.8
128.03568	1.0
130.05110	12.5
130.95406	0.7
133.02985	1.0
134.04704	1.9
135.04524	5.3
136.04840	1.2
147.04507	1.1
149.00908	6.8
149.06126	1.1
151.00317	0.8
151.03998	1.5
152.01151	100.0
153.02008	4.1
160.04057	1.9
160.06149	12.9
161.02409	2.4
161.04475	1.0
162.03030	1.0
163.04054	4.2
175.03891	0.9
177.01923	1.6
177.05479	0.9
179.03485	2.8
181.05011	1.2
187.07631	1.9
193.05051	1.2
197.04625	1.0
209.11809	0.9
220.17097	0.7
221.04506	1.3
222.04919	1.2
224.06454	1.0
225.00806	1.1
231.10269	1.1
241.07130	2.0
266.09457	1.0
267.05020	1.4
269.54108	0.7
285.06119	2.0
294.03558	0.9
311.07568	1.3
312.08109	1.0
318.75705	0.8
399.09293	30.8
400.09662	2.1
417.10361	32.4
418.10446	2.0
530.15057	14.0
531.15509	1.8
543.17139	1.6
560.16132	71.7
561.16876	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	559.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22914	0.4
57.03452	2.9
57.73862	0.4
59.01379	10.2
61.98825	2.2
62.38774	0.4
63.96236	1.2
66.58463	0.4
69.03490	0.5
70.44120	0.4
71.01383	11.0
72.99309	1.7
73.02957	3.4
78.98593	5.5
79.95730	8.8
80.96517	54.1
81.03456	1.1
83.01344	0.7
83.05036	0.6
84.53040	0.4
85.02958	3.7
87.00877	3.7
89.02447	3.3
94.17303	0.4
94.98085	12.2
95.01409	0.8
96.96021	0.7
97.02954	1.7
98.19833	1.1
99.00878	4.4
99.04505	1.0
101.02436	4.9
106.98100	2.5
108.02197	0.6
109.02931	0.7
112.68236	0.5
113.02441	2.9
119.03452	0.6
119.05031	1.0
121.02901	0.6
122.97575	4.6
125.02460	3.5
127.04030	1.1
128.03490	0.5
131.03471	0.8
134.97603	3.2
135.04497	1.8
136.99113	1.0
137.02443	0.6
143.03619	0.5
145.02933	0.9
148.99152	5.9
149.00917	1.6
149.04544	2.1
151.07642	0.6
152.01132	1.1
152.98642	6.3
153.09219	1.0
161.04567	1.0
163.03979	0.7
164.98616	10.3
168.00626	0.6
179.03482	1.5
179.07126	1.5
179.10762	2.4
182.99684	2.6
188.98679	0.5
191.05609	2.8
203.05638	1.0
205.12273	0.9
206.99669	3.0
209.11729	2.5
221.04820	0.5
223.13383	2.7
225.00723	18.3
225.02977	0.9
229.62193	0.7
233.06596	0.6
243.01823	1.5
285.03836	0.8
299.04526	2.4
419.09976	0.5
515.21393	0.7
517.22961	0.6
517.94257	0.5
527.17883	1.7
559.20667	100.0
560.20972	11.2
574.09869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.7
63.86394	0.4
82.08203	0.3
89.70364	0.4
90.40067	0.4
93.03484	0.5
108.02178	0.7
109.02931	1.5
115.08519	0.3
121.02938	2.0
123.00888	1.2
123.04720	0.4
124.01653	2.2
125.02400	1.0
134.03729	4.6
135.04521	2.1
136.01695	0.5
137.02414	1.0
138.03241	0.8
139.04012	1.5
143.92480	0.4
147.04482	2.2
147.08188	0.9
148.05331	3.9
149.02455	1.7
150.03224	18.5
151.03934	1.6
152.04828	1.1
159.04532	1.1
160.05280	0.9
161.06139	0.6
162.03166	0.6
163.04008	2.0
164.04842	0.6
165.05557	11.2
173.06021	0.8
174.06870	0.4
175.07610	1.3
177.05623	0.6
177.09203	13.3
178.09486	0.6
187.07623	2.1
188.08447	2.0
189.09196	11.7
201.09041	0.8
203.10768	38.6
204.11067	2.3
215.10760	1.6
217.12540	0.5
256.03781	0.4
271.06137	2.8
285.07715	0.8
286.08447	2.8
297.07678	1.4
323.12885	1.5
325.10712	1.1
340.13092	4.8
355.15497	100.0
356.15771	9.8
499.19711	0.4
559.21808	6.0
560.22028	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.0
63.61161	4.3
69.41515	34.5
72.02439	3.6
87.00903	3.6
97.02920	5.9
101.02447	5.4
109.02968	37.0
121.29061	3.9
135.04532	100.0
143.05063	6.0
146.03642	4.2
149.00909	5.4
149.06062	44.4
161.02444	5.3
161.06033	21.9
171.04593	5.2
173.06021	4.0
174.03204	6.9
177.05505	5.5
179.03514	11.8
187.04117	4.1
189.05565	56.3
190.06027	5.9
191.03389	4.8
207.06636	45.1
219.06642	4.4
221.04483	15.4
231.06667	9.8
235.06046	13.9
239.05627	9.7
249.07594	9.8
311.07736	6.2
313.09442	5.0
319.39359	4.3
323.91830	4.8
353.12317	4.4
374.56210	3.9
411.12769	9.5
425.10754	6.0
443.11575	7.0
455.12012	26.2
485.12744	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	559.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72572	5.3
53.89055	5.2
59.01378	24.7
61.98829	7.0
65.95429	5.0
69.37752	5.0
71.01379	11.4
71.30651	7.9
72.71310	5.4
75.00882	9.1
85.02937	5.2
86.55836	5.1
87.00861	17.8
89.92091	4.7
91.76668	5.4
96.96011	10.1
101.02451	7.3
103.00380	7.5
105.23181	5.9
108.02216	8.0
108.56801	5.9
109.02957	33.4
111.00859	6.8
112.98833	6.3
116.92854	9.9
119.05028	10.8
134.03795	6.6
135.04530	100.0
137.02446	6.4
148.05246	7.7
149.00917	16.4
149.02408	5.1
149.06111	31.8
151.03908	7.6
152.01160	18.1
161.06076	20.4
163.04039	14.2
164.04761	7.8
177.05510	8.5
179.03525	41.5
179.07159	9.7
187.07629	9.4
189.05573	53.1
190.27354	6.3
193.01392	9.2
197.04614	7.2
201.03743	5.5
207.06555	32.4
219.06561	6.1
221.04512	17.1
231.06674	9.4
235.06122	13.1
239.05632	6.5
249.07771	9.0
251.09167	5.7
265.07184	7.3
292.84970	5.4
311.07635	15.9
337.99728	5.2
383.09753	7.7
394.42841	6.1
400.27463	5.8
406.43463	6.5
411.12808	8.5
455.11926	20.5
515.14716	8.6
559.17139	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	559.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
58.00587	0.7
59.01379	18.9
59.98521	0.4
61.05261	0.3
61.98832	0.6
69.03458	0.4
71.01392	2.2
72.99310	1.4
73.02948	1.3
74.23189	0.4
76.50602	0.4
78.09090	0.4
83.05028	0.8
84.99306	0.5
85.02943	1.6
87.00876	16.5
88.32389	0.4
89.02428	1.8
95.01396	0.5
97.06571	0.4
98.03747	0.4
99.04517	12.0
100.04848	0.4
101.02457	1.8
103.00370	3.4
103.86876	0.3
109.02943	0.8
111.04535	0.7
112.98818	7.1
113.02441	2.6
117.03448	0.4
119.03454	0.6
123.08202	0.4
127.00328	0.7
130.99835	2.3
133.02948	0.9
135.04523	7.6
135.08157	0.9
137.02496	0.6
139.00375	0.5
141.09222	0.4
143.03488	0.4
145.03006	0.5
149.00987	0.4
161.02467	2.1
161.04500	1.5
163.03986	1.1
179.03494	6.2
179.05717	0.5
185.13361	0.7
203.14384	8.3
204.14798	0.7
219.02986	2.2
221.15459	29.9
222.15831	1.9
231.02934	0.6
237.06108	0.4
247.13422	1.4
265.14438	100.0
266.14801	7.2
289.14438	1.2
293.03076	3.6
307.15543	3.2
397.14957	1.5
427.19705	22.3
428.19778	2.2
499.29184	0.6
558.76978	0.5
559.20367	4.3
559.30750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.8
61.98849	2.6
70.37300	2.8
70.37687	2.6
71.01400	4.0
73.02961	1.8
83.01395	3.2
87.00874	1.7
93.34140	1.3
94.35582	1.4
96.96033	3.4
99.00888	2.1
100.37559	1.3
102.04496	1.4
108.02189	3.1
108.87970	1.4
109.02963	34.1
111.00882	13.7
113.02449	1.4
116.92863	1.7
119.05022	2.0
121.02962	3.0
123.04523	2.0
135.04530	30.7
139.03946	2.1
143.05028	1.9
147.04520	3.5
148.05304	3.1
149.00920	4.3
149.02419	2.0
149.06097	22.1
150.03267	1.8
151.04085	1.5
159.04491	3.4
161.02452	3.9
161.04849	1.2
161.06081	8.5
162.03235	4.6
163.04062	3.5
165.05573	2.7
171.04520	3.5
174.03169	2.2
175.03958	4.3
176.04770	2.0
177.05576	69.6
178.05942	2.2
179.03528	7.1
189.05580	36.5
190.05820	1.9
191.03528	3.5
193.01546	1.9
201.05571	3.2
203.03558	3.5
207.06625	11.9
219.02979	4.8
219.06631	6.2
221.04544	72.3
222.04880	2.7
231.06615	2.4
233.04510	2.2
263.05682	2.2
293.06491	2.1
311.07727	100.0
312.08102	4.9
393.11853	6.0
425.10822	2.7
443.11935	1.6
455.12091	3.9
497.12726	1.9
515.14099	20.0
516.14368	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45056	0.4
52.18028	0.4
55.01882	0.7
55.44688	0.5
57.03448	1.2
59.01381	100.0
60.01719	1.2
61.98835	4.5
69.03463	1.2
71.01385	17.2
71.62729	0.4
71.63091	0.5
72.99311	1.3
73.02963	3.0
75.00912	0.5
83.01395	1.9
85.02951	3.2
87.00900	3.3
89.02447	5.5
90.54762	0.4
95.01407	1.0
96.96036	1.4
99.00898	2.1
99.04537	1.0
101.02459	5.2
103.00386	0.4
105.16967	0.4
109.02940	0.8
112.98827	1.4
113.02442	4.2
116.92868	1.5
119.03516	0.7
119.04991	0.9
130.06631	0.7
130.99895	0.6
134.03754	0.8
135.04552	2.5
137.02623	0.4
137.06085	0.5
143.03593	0.8
146.09706	0.5
149.00871	2.1
152.01212	0.7
159.03029	0.8
161.02455	1.1
161.04593	1.5
163.04033	0.5
179.03476	1.2
185.00934	1.2
190.08669	0.5
211.13452	0.5
212.13887	0.6
230.26698	0.4
246.54314	0.4
273.15015	0.7
274.15256	2.2
274.51389	0.5
280.11996	1.1
284.13748	1.1
291.16162	0.8
292.16400	1.5
301.38364	0.5
302.14944	1.0
328.16556	0.7
346.17618	1.3
353.06775	0.7
363.18103	1.0
364.18356	4.2
390.16559	0.6
406.15027	1.8
407.16724	0.8
408.17291	2.9
424.16309	1.2
466.17178	4.6
467.17780	0.7
499.29504	0.5
540.18024	0.9
558.18610	0.7
558.29956	1.6
559.31311	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	557.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64038	31.0
66.47869	27.2
67.05238	27.9
70.21706	100.0
70.22106	52.7
98.70869	28.6
104.33598	27.6
124.98532	27.7
172.39986	28.1
392.58679	32.3
399.08911	31.6
448.83810	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	558.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41259	0.5
57.03449	0.7
59.01381	72.9
59.92347	0.5
60.01714	1.3
61.98828	2.3
66.35432	0.5
68.02539	9.5
69.03460	0.7
70.76978	1.3
71.01387	8.5
72.99347	0.6
73.02958	4.8
83.01384	2.7
85.02958	2.3
87.00891	1.8
89.02457	3.0
101.02444	5.4
109.02943	0.5
112.98805	1.9
113.02436	3.1
113.36639	0.5
119.03505	0.7
122.03967	0.5
125.02508	0.7
126.99573	100.0
127.99901	2.4
130.46341	0.4
130.60072	0.5
133.02971	0.7
134.03746	0.5
135.04549	1.8
143.03557	0.9
149.00980	0.7
151.04071	0.7
161.04564	2.0
163.03996	0.6
166.09853	10.1
169.77667	0.5
179.03456	1.0
196.09247	0.5
199.05258	0.5
199.69276	0.6
203.10753	0.5
212.66585	0.5
256.97247	0.6
311.02368	0.5
335.22266	5.0
336.22635	4.4
355.11578	0.5
355.15408	1.5
438.14102	1.0
456.15842	0.6
473.87653	0.6
498.16257	1.1
514.25146	0.5
558.29590	1.5
558.76111	0.7
559.31458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.8
59.01381	14.3
61.98785	0.8
69.29156	2.9
71.01383	2.5
71.04975	0.4
72.99290	0.5
73.02914	0.9
75.00851	0.5
83.01390	0.3
83.04990	1.1
83.34676	0.3
85.02924	1.1
87.00881	2.2
89.02409	0.8
95.01362	1.1
97.06595	0.3
99.04529	0.4
101.02401	1.2
108.02196	0.3
109.02910	0.9
111.04503	0.9
112.98779	1.0
113.02427	1.1
119.03490	0.4
119.04979	0.4
121.02924	0.7
123.00928	1.4
123.04504	0.4
123.08115	0.4
124.01694	1.4
125.02459	2.3
125.06000	0.3
127.03964	0.6
127.07578	0.4
130.99875	0.5
133.02914	1.3
134.03712	0.6
135.04552	1.6
136.01620	0.8
137.02388	0.9
138.03154	0.3
139.03955	0.6
145.02881	0.5
146.03741	0.7
148.01601	0.5
149.00861	1.2
149.02383	0.7
150.03189	2.2
152.00996	0.4
159.04459	1.2
161.02405	1.2
161.04485	0.6
161.05945	0.4
162.06906	0.4
163.03975	1.1
165.05516	0.7
173.06136	0.4
174.03214	0.4
175.03957	1.5
175.07602	1.2
177.05458	0.3
178.02618	0.3
179.03473	0.9
185.06151	0.4
187.03877	0.3
187.07646	0.7
188.04718	0.4
197.06085	0.6
198.06519	0.4
199.03990	0.5
201.05583	1.2
201.09221	1.7
203.07091	0.6
211.03917	0.5
211.07442	0.4
212.86710	0.4
213.05630	0.5
213.09225	0.6
219.02982	0.3
219.17461	1.6
225.05508	1.0
226.02623	0.4
227.03630	0.3
229.08678	0.3
232.07367	0.5
237.05719	0.7
239.03535	0.6
239.07199	0.7
240.04202	0.6
241.05046	1.1
249.05591	0.5
251.03372	0.5
251.06941	0.4
253.05125	1.6
255.06540	0.7
261.22296	0.5
265.05109	2.5
267.06537	0.7
268.03748	0.9
269.04510	4.1
273.22339	0.7
277.05066	0.9
279.10211	0.8
280.03857	0.7
281.04483	0.9
282.05450	1.6
283.06113	11.0
284.06802	1.6
291.10278	0.4
293.03000	0.3
293.11771	0.4
294.05530	1.8
294.08484	0.3
295.06122	14.0
295.09534	0.9
296.06485	1.0
297.07629	1.2
305.08051	0.4
307.09818	0.4
308.10596	1.4
309.07700	1.5
309.11383	1.5
309.14731	0.4
310.12305	0.5
320.10498	0.4
321.11176	0.4
322.08432	0.8
323.09308	3.6
323.12952	0.7
335.18295	0.4
335.22284	8.0
336.10144	0.4
337.10852	4.8
338.11594	44.0
339.11948	3.0
345.16696	0.4
352.13205	0.4
353.13937	100.0
354.14310	7.5
354.17538	0.2
365.27036	0.8
368.85458	0.3
371.10785	0.3
381.24249	0.3
389.15683	0.4
395.28409	0.4
407.17221	0.8
425.18250	0.4
469.31738	0.7
497.18402	0.9
497.38510	0.3
513.30695	0.6
515.18744	0.4
516.18488	0.3
557.20380	11.2
557.29803	7.1
558.20874	1.3
558.29364	0.5
560.31927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.9
61.98818	1.0
71.01392	1.9
72.99318	0.6
73.02952	0.5
73.38342	0.5
74.86166	0.5
87.00858	0.9
98.19866	1.7
101.02414	1.1
113.02432	0.5
113.37070	0.6
123.92464	0.5
124.01651	2.3
125.02411	0.9
127.57440	0.6
131.08691	0.6
131.65695	0.5
133.06598	0.9
135.04512	0.7
139.04030	2.7
145.02998	0.7
149.02393	1.4
149.06021	0.8
149.84149	0.7
150.03226	19.7
159.04523	0.7
163.04001	0.7
165.05573	18.1
166.05853	0.6
171.04562	1.3
173.06004	0.8
175.07625	9.8
176.04808	0.6
185.06058	1.8
186.06850	0.6
187.07616	7.5
199.07648	1.5
201.09210	49.0
202.09534	1.9
213.09181	2.0
267.65128	0.6
283.06000	1.2
295.06152	0.7
321.11383	0.6
323.09119	0.7
338.11569	4.7
353.13937	100.0
354.14285	7.3
557.20197	10.5
557.28650	0.9
558.20856	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
59.01383	22.8
61.80315	0.3
61.98824	0.4
62.12331	0.3
68.02499	0.4
68.99794	0.5
69.37477	3.2
71.01390	4.2
72.99309	0.6
73.02953	3.5
75.00880	0.6
83.01376	1.5
85.02947	2.0
87.00855	1.3
89.02428	1.2
95.01402	0.4
99.00871	0.4
101.02444	4.0
109.02982	0.8
112.98769	1.3
113.02456	2.0
119.05054	0.4
124.01609	0.4
125.02384	0.4
126.99575	11.6
128.53102	0.4
131.03447	0.7
133.02960	1.1
134.03731	0.7
135.04503	1.1
137.02438	0.8
143.03508	0.3
146.03671	0.4
149.00986	0.5
150.03209	0.7
151.07568	0.4
152.01189	0.4
159.11903	0.4
161.02440	0.5
161.04526	0.8
163.07666	0.4
166.09825	1.2
167.03484	0.8
177.02002	0.4
188.04790	0.9
197.06009	0.4
200.27493	0.4
201.09204	1.0
208.05157	0.5
209.06195	0.7
211.04030	0.5
211.13342	0.4
213.05592	0.5
213.09244	1.0
221.06300	0.3
224.04788	0.8
225.05432	0.9
227.03499	0.8
236.04817	0.9
237.05521	1.0
239.03497	2.2
240.04233	1.0
241.05133	1.1
242.02217	0.9
249.05542	1.2
250.05995	0.4
251.03595	0.5
253.05045	11.8
254.05649	1.3
255.06506	0.5
263.10788	1.6
264.04196	0.4
264.11169	0.3
265.05072	13.5
266.05377	0.9
267.10281	0.7
269.04547	2.6
269.11716	0.5
279.10187	4.6
280.11160	0.3
281.08142	0.4
281.11942	0.6
283.06097	1.4
284.06659	0.6
291.10248	3.3
292.10931	1.8
293.08200	1.0
293.11630	0.7
295.06125	1.3
295.09641	0.9
297.07660	4.3
298.07822	0.4
307.09836	3.0
308.10522	16.8
309.11194	2.3
310.08578	0.9
310.11853	0.6
311.12872	0.4
321.11267	0.6
323.09207	1.8
323.12878	7.2
323.16437	0.6
335.22296	2.0
337.10886	2.6
338.11612	26.0
339.11856	1.9
352.13199	1.1
353.13928	100.0
354.14255	7.7
358.94348	0.4
497.18521	0.4
515.19257	1.0
536.27545	0.7
536.77734	0.7
557.20313	24.2
557.29053	1.4
558.20453	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55104	0.2
59.01381	2.2
61.98829	0.3
69.28829	0.9
69.29257	1.3
71.01360	0.4
87.00884	0.3
95.01368	0.5
107.05029	0.5
109.02980	0.3
112.98792	0.4
115.70476	0.2
121.02940	0.8
123.00874	1.9
124.01639	1.2
125.02448	4.6
133.02919	1.3
135.04482	0.8
136.01756	0.3
137.02414	0.7
143.89523	0.2
148.01645	0.4
149.02444	1.7
150.03227	2.0
151.03978	0.3
159.04517	0.6
160.01672	0.2
161.02443	2.4
163.04021	1.2
171.04536	0.5
175.03934	0.3
175.07613	0.6
177.09103	0.5
187.07629	0.4
199.03914	0.3
201.05548	0.5
201.09230	0.5
202.06331	0.5
209.06070	0.3
211.07635	0.3
213.09200	0.6
221.06049	0.5
223.07668	0.4
225.05504	0.5
233.06119	0.3
237.05556	0.5
239.07028	1.3
240.04388	0.4
241.05098	0.6
242.09297	0.3
249.05479	1.3
255.06642	1.2
265.05048	0.6
266.05548	0.3
267.06564	0.9
268.03836	1.2
269.04501	3.3
270.05292	0.5
277.05161	1.4
278.05414	0.3
279.10327	0.8
280.03665	1.4
281.04514	0.9
282.05319	0.9
283.02939	0.5
283.06113	9.6
284.06854	1.1
293.11765	0.8
294.05399	1.1
294.12555	1.3
295.06110	28.5
296.06522	1.6
309.07642	0.9
309.11365	0.5
320.10434	0.5
321.07858	0.3
321.11227	1.2
322.08334	0.3
323.09216	2.1
337.10690	1.7
338.11578	39.8
339.11954	3.3
351.12405	0.4
353.13922	100.0
354.14273	8.0
395.15228	0.4
488.13803	0.3
497.18292	0.5
504.88354	0.2
515.19446	0.3
542.17938	0.3
557.20233	9.7
557.28320	0.5
558.20319	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46379	0.6
59.01381	6.9
61.98827	2.1
71.01377	1.2
71.62479	0.7
83.70866	0.9
85.02950	0.8
87.00874	1.0
106.63557	0.7
107.05006	3.2
109.02961	0.6
124.01658	1.9
134.34837	0.6
135.04504	0.9
136.01653	0.9
139.04008	2.6
149.02470	1.2
150.03232	25.0
151.03540	1.0
163.04031	1.1
165.05573	26.5
166.05890	1.0
175.07651	11.7
177.05565	1.0
183.08167	0.9
185.06078	2.1
187.07635	4.3
188.08298	0.8
201.09215	51.6
202.09531	2.5
213.09166	0.7
245.08167	1.0
267.11374	1.7
295.06073	3.4
309.07944	0.8
321.11243	0.8
327.93384	0.6
337.10822	0.8
338.11703	4.2
353.13931	100.0
354.14294	8.2
557.20239	10.8
557.35052	0.8
558.20154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40504	0.2
59.01386	2.0
60.90176	0.2
61.98831	0.8
63.89919	0.3
71.01357	0.4
71.11237	0.5
75.07856	0.3
86.42337	0.3
90.63903	0.2
109.02959	0.8
123.00892	0.3
124.01672	2.7
125.02448	0.3
131.08772	0.3
133.06596	0.9
135.04538	1.1
136.01677	0.4
137.02504	0.3
138.03229	0.4
139.04016	2.8
149.01033	0.2
149.02426	1.1
149.06100	0.8
150.03224	19.6
151.03633	0.6
155.08574	0.4
157.06651	0.3
157.10205	0.7
159.04507	0.8
159.08179	0.7
160.05133	0.3
161.02448	0.7
161.06146	0.3
163.04004	0.9
165.05571	19.9
166.05908	0.5
169.06566	0.4
171.04477	1.2
173.06010	1.4
175.04060	0.7
175.07640	12.4
183.08118	0.3
185.06094	2.3
186.06677	0.5
187.07651	7.3
188.04884	0.3
188.08376	0.7
199.07625	1.7
201.09209	52.6
202.09557	2.3
213.09227	1.5
250.62019	0.3
269.04376	0.5
277.78320	0.3
283.06116	1.2
295.06076	1.4
320.10577	0.5
321.11227	1.2
323.09225	0.7
335.12955	0.3
337.11011	0.5
338.11566	3.9
353.13934	100.0
354.14264	8.4
491.05933	0.3
515.19232	0.3
521.27625	0.4
557.20276	13.3
558.20544	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	557.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.4
59.01378	61.6
61.98823	2.7
63.57203	1.5
70.17929	2.3
70.18281	5.3
71.01376	13.6
72.99303	8.7
73.02945	7.6
83.01389	2.5
83.05013	2.9
84.99306	2.9
85.02975	3.9
87.00871	33.1
87.04488	2.9
89.02441	5.2
95.05018	2.3
96.96044	1.8
98.19930	1.8
99.00870	2.4
99.04516	4.4
101.02465	8.0
103.00382	12.5
107.05053	3.0
108.02145	2.2
109.02951	21.1
111.04488	3.6
112.98808	36.9
113.02473	4.5
115.04002	2.1
119.05019	2.0
121.02969	3.7
123.04535	2.1
125.02428	2.0
125.06116	1.9
127.00376	8.2
130.99876	8.9
131.12886	1.4
133.02948	11.2
133.56308	1.3
134.03767	13.3
135.04524	100.0
136.01682	1.6
136.04909	3.6
137.02457	15.1
139.00356	8.0
141.09213	5.1
143.15042	1.4
145.02946	3.0
147.04535	3.7
149.00908	24.6
149.02061	2.5
151.03996	10.9
152.04727	2.5
159.04495	3.4
161.02452	28.6
161.04539	2.7
163.03973	14.3
168.21303	1.6
173.02441	2.3
175.04034	4.2
175.07605	2.4
177.05521	5.2
178.02695	2.2
179.03490	69.9
180.03854	4.4
187.04022	1.8
187.07614	2.8
191.03426	8.4
195.02953	1.4
201.05510	2.6
201.12946	1.8
203.03510	1.8
203.07144	5.9
204.07910	3.4
204.11549	3.9
205.05046	2.6
210.34741	1.5
211.13425	19.2
219.02979	39.2
219.13867	4.4
220.03287	1.7
224.07104	2.0
230.09515	2.6
231.02980	6.4
232.07410	16.8
233.08061	2.2
243.12526	1.4
247.09749	4.7
248.10483	4.3
263.12863	22.7
275.01932	4.8
293.03043	54.2
294.03531	4.4
301.14609	2.0
316.31729	1.5
327.15857	2.9
329.14117	1.9
336.36612	1.5
336.40662	1.5
345.16925	8.1
363.17767	1.6
389.16046	11.4
390.16409	2.3
395.13361	9.9
406.61496	1.8
407.17130	52.7
408.17487	3.8
425.17966	4.4
497.27209	2.3
557.29510	31.8
558.29987	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	557.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.0
57.03430	4.9
58.00589	1.6
59.01381	91.7
61.98830	3.0
65.27598	1.5
67.98985	1.4
68.62199	1.4
71.01384	18.4
71.63062	1.8
72.99301	11.5
73.02944	10.2
83.01385	5.2
83.05048	1.9
84.99309	4.0
85.02946	6.8
87.00380	2.6
87.00881	31.1
87.04538	2.6
89.02436	6.7
97.06582	3.3
99.00865	2.1
99.04504	4.4
101.02451	11.9
101.06017	1.6
103.00358	12.0
107.05000	3.3
108.02159	1.6
108.91039	1.6
109.02950	24.9
111.00912	2.8
111.04543	3.7
112.98808	38.1
113.02431	7.3
115.04067	2.8
119.05028	2.0
121.02982	2.5
123.04526	2.2
125.02427	2.2
127.00367	9.0
127.07658	1.7
130.08691	1.6
130.99878	7.8
133.02960	16.0
134.03757	16.2
135.04532	100.0
136.04898	2.9
137.02449	17.5
137.09691	2.0
138.02774	1.5
139.00378	8.4
141.09227	6.0
142.98920	1.4
145.02975	3.3
147.04520	3.9
149.00908	28.2
149.06097	2.2
151.03987	10.1
159.04498	1.7
161.02446	28.2
161.04541	2.9
161.06029	1.6
163.04004	14.3
166.08360	1.5
173.02347	1.6
174.03268	1.7
175.03973	5.7
175.07610	3.3
177.05537	6.0
178.02623	2.5
179.03499	71.3
180.03831	2.6
187.07640	2.7
189.05563	2.0
191.03514	11.1
195.02869	1.9
201.05685	2.5
201.09181	1.6
201.12921	2.6
203.07086	6.3
204.02835	1.6
204.07909	4.2
204.11530	4.0
205.05095	3.4
205.08714	2.4
211.13396	24.4
214.06306	2.4
219.02995	40.5
219.13872	4.4
221.04454	1.5
229.08693	2.1
230.09413	6.6
231.02939	6.8
231.10190	2.5
232.07405	16.0
233.08257	3.5
247.09795	4.1
248.10544	3.8
263.12860	23.9
264.13181	2.2
275.01920	4.6
283.13309	1.9
293.03055	56.3
301.14450	3.6
310.09305	2.0
327.15900	4.5
329.14032	3.2
345.17136	13.4
363.18005	3.2
389.16022	12.8
395.13403	13.1
407.17090	53.5
408.17334	4.6
425.18033	4.4
497.27512	3.5
513.30670	4.6
515.28339	2.3
557.29626	57.7
558.29895	3.2
577.75842	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	557.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01678	0.4
57.03448	1.2
59.01382	11.8
61.98826	3.7
65.33643	0.4
71.01379	2.9
71.62393	0.6
72.99324	2.1
73.02959	1.7
83.01379	0.6
83.05058	0.8
85.02972	1.0
87.00881	4.2
89.02449	1.4
96.96013	1.7
96.96947	0.5
98.95590	1.2
99.00854	0.7
99.04527	1.5
99.92582	15.3
100.92671	0.7
100.93379	1.5
101.02455	2.0
103.00372	1.2
108.02218	0.6
109.02965	0.6
112.98808	2.1
113.02454	1.2
114.94981	0.4
115.92081	24.4
116.92863	100.0
117.92902	3.3
119.05025	2.2
125.02460	0.9
130.99879	0.9
132.92404	0.6
134.03763	0.6
135.04521	6.0
136.04921	0.5
137.02521	0.7
141.93578	1.0
142.23207	0.4
142.94429	0.8
145.02930	1.5
149.00906	4.7
149.02132	0.5
149.06061	0.6
152.01189	0.7
153.05531	0.4
158.94009	0.5
161.02415	0.8
161.04573	0.9
163.03986	0.6
167.03462	0.8
169.93095	0.5
174.93365	0.5
179.03482	2.8
184.91859	2.5
191.07130	0.6
193.04993	0.7
232.07288	0.9
248.10664	0.5
263.10965	0.6
273.14966	1.1
283.13361	0.7
291.15991	0.8
293.03070	0.5
301.14447	1.7
319.15512	0.7
327.15970	1.3
329.14191	0.4
345.17068	2.9
363.18069	2.8
389.16019	1.2
395.11523	0.5
407.17096	3.2
425.13977	1.0
425.18793	0.7
453.12100	2.8
471.13297	3.2
477.12393	0.6
495.13345	1.0
513.14136	3.9
514.14502	0.9
521.11243	1.2
557.13220	15.8
557.29480	1.4
558.13580	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	555.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69857	52.5
71.51624	100.0
106.96816	58.7
111.44486	59.8
164.95979	70.2
283.26389	70.2
422.48279	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.8
61.98830	100.0
66.39727	0.2
71.01399	0.5
73.99828	0.1
85.02981	0.3
87.00888	0.4
89.02425	0.3
101.02463	0.3
112.98837	0.5
113.02493	0.2
121.02962	0.2
133.02953	0.3
134.03734	0.2
135.04553	0.3
149.00937	0.2
163.04022	0.3
177.01984	0.2
179.03503	0.2
198.11041	0.1
287.20157	0.2
331.19418	0.2
332.19644	0.3
333.19809	0.2
334.20206	0.3
339.45889	0.2
514.37598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
59.01382	27.3
61.98841	4.3
64.83138	0.7
65.00333	2.1
65.24742	0.5
66.03493	0.8
67.01894	19.1
67.05534	1.9
69.03460	1.1
71.01384	10.1
71.61676	0.8
72.99310	1.3
73.02946	2.9
74.81916	0.7
81.02201	1.2
82.06618	12.6
83.01387	1.6
83.05016	0.7
85.02942	4.2
86.02509	1.2
87.00867	3.6
87.04513	0.7
89.02450	5.3
93.03468	1.5
95.01405	1.3
96.04558	22.7
96.95994	1.3
97.02943	0.7
99.00861	1.2
101.02445	6.0
103.00358	0.7
107.01380	2.5
107.05012	1.1
107.22424	0.9
108.02174	2.7
109.02956	2.3
111.04527	2.7
112.98808	0.9
113.02430	4.3
114.05603	1.0
116.92903	0.8
119.03519	1.0
119.05018	1.9
121.02949	1.6
122.06068	0.7
123.04547	0.9
123.08157	6.2
124.01627	0.9
124.07684	14.7
125.02467	3.7
126.05613	44.0
127.05962	0.7
128.07178	2.4
130.99835	0.8
134.03772	3.4
135.04565	3.7
137.02490	1.0
138.05519	0.8
142.08746	12.1
145.02945	1.6
149.00883	4.1
149.02498	1.0
149.04587	1.5
149.05939	0.8
150.05585	1.3
151.00407	5.6
152.01163	6.9
153.01917	1.5
153.09193	2.0
159.03101	0.7
160.01709	1.9
161.02238	1.2
161.04636	1.2
163.04004	1.8
163.11247	5.2
165.01952	0.7
165.05588	1.1
168.06668	36.3
169.07013	1.0
175.04066	1.4
176.04526	1.5
177.01892	2.6
178.99841	2.6
179.03511	1.3
183.04616	0.7
186.07700	8.0
189.12906	3.3
193.05067	0.9
194.05466	1.0
197.04449	1.1
197.08142	2.3
202.03329	0.6
207.13931	2.3
269.00891	2.9
281.93436	0.6
299.83426	0.6
300.02771	5.4
300.52765	1.3
345.17136	1.0
359.13458	1.8
402.05963	0.8
417.10446	1.1
419.04343	1.6
438.62640	0.6
454.08264	17.2
454.58362	6.9
455.08972	0.8
518.16217	3.1
556.27637	100.0
557.15131	2.6
557.28058	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	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.39018	0.4
59.01376	0.7
63.96241	0.7
70.37839	0.7
70.38227	0.8
71.01383	5.8
73.02944	0.8
78.98595	5.1
79.95737	9.4
80.96516	58.6
81.03429	0.5
83.01337	0.4
85.02504	0.3
85.02934	2.7
87.00867	2.4
94.98083	13.0
95.01380	0.4
96.96016	1.1
97.02924	1.5
98.20507	0.6
99.00865	0.4
101.02435	1.8
103.96313	0.4
106.98093	2.7
108.20166	0.4
111.88679	0.4
122.97584	2.6
125.02467	2.8
127.03993	0.8
134.97594	3.6
136.99129	1.3
138.76329	0.4
148.99130	5.6
149.22050	0.4
152.98639	4.8
161.38243	0.3
164.98608	10.1
165.61845	0.4
167.00096	0.5
179.00111	0.5
196.53952	0.4
206.99663	2.0
214.70444	0.4
225.00714	13.2
255.23210	2.3
274.04977	0.4
299.04312	2.9
305.96780	0.4
320.98373	0.4
555.28400	100.0
556.28754	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	555.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.98816	1.5
71.61904	0.5
74.94956	0.5
75.30133	0.6
78.95889	1.2
89.04060	0.5
95.42784	0.6
96.29479	0.5
96.96022	0.7
101.59977	0.5
109.02933	1.0
111.20085	0.5
123.00877	0.5
124.01670	4.0
136.01651	0.9
138.03221	2.0
139.03999	6.5
143.70949	0.5
147.41228	0.4
149.02402	1.9
150.03221	30.9
151.03557	1.0
156.05774	0.5
165.05563	25.8
166.05893	0.8
172.05325	0.8
173.06071	6.3
184.05238	1.6
186.06856	1.1
198.06839	0.8
199.07646	39.5
200.07910	1.7
218.05769	1.4
222.43169	0.5
237.72102	0.5
270.86407	0.5
279.83105	0.5
319.09857	2.5
321.07727	2.6
335.09216	1.4
336.09991	7.3
351.12350	100.0
352.12698	9.0
555.18677	6.7
556.19366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
59.01382	100.0
60.01710	1.0
61.98515	0.8
61.98836	10.7
71.01389	3.7
71.23034	0.6
72.99319	1.3
73.02959	3.5
73.86391	0.3
80.96540	1.2
83.01411	0.6
83.05062	0.9
84.77788	0.4
85.02964	1.2
87.00879	3.0
89.02454	1.1
90.19098	0.4
91.05358	0.4
95.01363	0.4
97.06588	0.4
101.02422	2.4
103.00410	0.5
109.03002	1.1
111.04557	1.3
112.98830	1.6
113.02482	1.2
118.31787	0.5
119.03575	0.4
119.05043	1.1
127.07616	0.5
130.99925	0.4
131.03581	0.4
133.03003	0.7
133.63930	0.4
134.03749	4.1
135.04549	2.2
137.02466	1.0
141.09267	0.6
145.02885	0.4
147.04480	0.4
149.00911	2.1
149.06143	0.7
151.01558	0.4
151.03929	0.5
161.02478	0.6
161.04626	0.9
163.04002	1.1
175.04129	0.6
177.01826	0.4
179.03571	1.3
202.06389	0.4
215.06889	0.5
226.19691	0.4
227.13051	0.8
231.10323	1.7
275.09329	0.7
280.45074	0.4
289.21817	0.8
293.02991	0.5
293.10449	1.2
305.88708	0.4
333.20734	2.8
335.68369	0.4
357.26678	2.8
379.19247	0.4
423.14740	0.8
453.24942	1.2
467.30392	1.2
495.25668	0.7
555.20978	0.9
555.28180	6.4
556.29022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2808
Annotation	Tricalysioside K
Peak:m/z	Relative Intensity
55.01878	2.3
57.03026	0.7
57.03449	2.0
57.99927	0.4
58.00591	1.8
59.01379	99.0
60.01701	0.6
61.98829	1.1
66.07745	0.5
68.77475	0.5
69.03466	1.4
71.01382	44.8
71.61104	0.9
72.01741	0.7
72.99309	3.3
73.02946	32.9
75.00886	1.1
81.03454	0.7
83.01391	5.6
85.02949	15.5
85.03447	1.1
85.31343	0.5
87.00880	3.5
87.35634	0.5
89.02442	32.7
95.01370	3.4
97.02944	2.0
99.00880	100.0
100.01235	1.6
101.01765	1.2
101.02440	23.9
103.00389	0.8
109.02924	0.6
111.00861	1.1
112.98833	1.8
113.02456	19.6
119.03506	2.4
121.02964	0.7
124.01575	0.5
125.02453	6.0
130.99753	0.7
131.03494	13.8
133.02954	0.7
134.03728	1.0
135.04480	0.5
137.02473	0.8
143.03511	5.6
149.00941	1.2
149.04552	38.9
150.04895	0.8
155.03476	3.2
159.02994	1.3
161.04558	11.5
177.01910	1.0
178.02625	0.7
179.03465	1.0
179.05598	0.6
191.05608	43.0
192.05894	1.1
194.62936	0.5
203.05612	20.8
233.06619	6.5
260.35889	0.6
275.59647	0.5
335.09787	2.0
349.10629	0.6
350.93982	0.6
351.12228	2.0
353.10535	0.6
353.24564	0.6
363.21793	0.8
381.22803	7.5
382.23004	1.0
423.23941	0.9
495.26028	0.9
513.26978	17.0
514.27118	1.8
537.27039	0.5
555.28021	44.9
556.28326	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32438	0.5
53.76723	0.5
55.74646	0.5
58.00586	1.7
59.01384	45.0
60.01713	0.7
61.09340	0.5
61.98844	1.1
67.92021	0.6
68.99816	0.9
71.01390	10.3
71.62220	1.2
72.99314	2.4
73.02975	0.7
83.04966	0.5
84.99300	0.9
85.02961	2.2
87.00887	7.6
89.02443	12.1
93.03481	0.6
95.01367	1.0
97.02970	1.0
97.69962	0.6
101.02434	4.3
103.00375	2.8
104.98068	0.5
108.02143	0.7
109.02979	4.1
109.05849	0.5
110.03732	2.1
112.98820	7.7
113.02439	5.5
117.03489	0.9
117.58861	0.5
119.03523	5.5
119.05029	8.4
121.02952	1.9
129.05493	0.5
130.99896	0.9
133.02948	3.0
134.03748	15.7
135.04544	4.4
136.01674	2.4
137.02432	4.3
143.03465	1.6
145.02977	3.1
147.04535	2.8
149.00914	5.4
149.04524	0.6
150.03221	0.9
151.04004	2.3
161.02542	0.9
161.04570	2.5
161.06009	0.9
163.04073	5.4
175.03986	0.9
177.01965	2.4
177.22754	0.6
178.02719	5.3
179.03453	2.1
179.05679	6.1
181.08585	0.8
192.04311	1.3
195.03059	0.9
203.03510	4.7
211.13364	1.7
226.06366	0.7
243.17516	1.7
253.08696	7.5
254.09624	3.1
259.20724	2.2
265.53244	0.6
275.09106	1.0
277.03610	5.1
287.20178	29.2
288.20526	1.7
308.35754	0.6
313.18173	1.6
331.19165	100.0
332.19470	7.2
345.20703	6.1
350.21616	0.6
359.14734	0.6
359.18713	2.5
373.20209	10.3
403.17404	1.3
421.18597	3.2
439.29907	0.7
465.23260	0.7
553.20624	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	555.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	3.6
61.98829	1.3
62.97079	0.4
70.57997	1.4
71.01367	0.5
109.02937	1.6
123.00827	0.6
124.01681	6.0
138.03226	2.0
139.04021	6.7
149.02469	2.3
150.03235	33.2
151.03619	0.7
162.03267	0.7
165.05577	25.0
166.05884	0.6
171.10208	1.0
173.06094	5.4
184.05309	1.2
186.06909	1.0
195.88708	0.4
198.06856	1.1
199.07651	39.5
200.07970	2.7
218.05818	1.4
317.08237	0.6
318.09232	0.5
319.09787	2.8
321.07593	3.5
322.07764	0.5
335.09238	1.5
336.10037	6.6
337.10486	0.7
351.12372	100.0
352.12714	8.6
410.58347	0.4
427.97086	0.5
555.18665	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.0
60.01690	1.7
60.99308	12.7
61.98830	2.5
69.37650	1.3
70.38152	4.4
71.01370	6.7
72.99306	2.7
73.02934	2.9
83.01394	1.7
85.02956	3.6
87.00896	6.8
88.98807	69.8
89.02436	5.5
89.99186	1.6
93.03430	2.4
96.95966	1.3
97.06553	2.2
99.55387	1.3
101.02452	5.9
103.00380	2.2
107.01379	2.3
108.02162	2.3
109.02950	3.6
112.98792	1.5
113.02430	3.2
116.92883	2.0
119.03520	1.8
121.02930	3.4
122.03727	1.3
125.58894	1.4
130.08720	2.1
131.51241	1.3
133.02925	1.6
134.03760	1.5
135.04515	6.1
143.04631	1.3
145.02925	1.5
149.00900	7.7
149.02422	3.5
150.01402	1.2
150.03215	5.6
151.00352	9.4
152.01111	2.3
153.01869	2.1
158.83595	1.3
161.02458	1.9
161.04579	2.8
165.05582	4.9
166.02689	1.6
167.03502	1.7
172.90552	1.2
178.99797	4.0
179.03500	3.6
181.05014	2.4
195.06685	2.9
219.02980	1.8
223.06139	3.1
224.06633	1.6
243.03026	7.2
251.66248	1.6
255.03000	18.1
259.11786	2.3
267.10089	2.3
270.99609	2.4
271.02475	36.7
272.02945	3.3
300.02765	77.3
301.03500	37.4
302.03900	2.7
303.25473	1.5
391.26941	2.1
397.11792	1.3
399.09305	1.5
417.17264	3.1
421.15009	2.2
463.08798	100.0
464.09042	10.1
552.31183	5.3
553.16840	4.1
553.32806	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	552.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.3
59.01384	4.7
59.38610	0.2
60.68199	0.2
61.98832	100.0
62.09348	0.2
69.45660	1.5
71.01397	1.0
72.99313	1.5
73.02964	0.3
83.01440	0.3
85.02959	0.6
87.00865	1.6
89.02451	0.2
101.02454	0.7
103.00391	0.8
111.55670	0.2
112.98827	0.6
113.02438	0.5
119.05071	0.7
123.04549	0.2
130.99948	0.3
134.03761	0.4
135.04526	1.4
139.04037	0.2
140.07191	2.8
145.02946	0.6
146.03714	0.2
147.04507	0.2
149.00920	3.2
150.01286	0.3
154.06276	0.6
159.04544	0.4
161.02490	0.4
163.04005	0.7
171.04547	0.6
175.04041	0.4
175.07709	0.3
179.03447	1.1
187.04102	0.2
187.07668	0.4
189.05444	0.2
200.08481	0.4
201.05699	0.3
201.09280	0.2
203.03484	0.5
207.10269	0.4
211.13226	0.3
213.09244	0.3
216.80507	0.2
217.08737	0.2
230.09564	0.4
232.07352	0.3
247.09818	0.6
248.10648	0.3
248.98314	0.2
249.11398	0.2
277.03677	0.3
311.13004	0.3
327.15775	0.3
329.14066	0.4
344.97968	0.2
345.17084	0.4
353.23807	0.2
353.28299	0.2
354.23734	0.2
371.15027	0.3
389.15985	1.0
421.18832	0.7
470.13202	0.2
493.26840	0.2
525.19800	0.2
552.24182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24178	1.2
54.34576	1.2
54.58141	1.1
57.03439	2.2
59.01380	57.1
59.78624	1.4
60.01717	1.5
61.98830	57.2
62.42542	1.5
71.01381	9.6
72.99305	3.2
73.02934	4.2
83.01362	1.5
85.02950	4.5
87.00867	5.4
89.02433	4.1
91.49070	1.4
95.01405	1.7
97.02959	1.2
98.19863	3.3
99.00867	1.4
101.02428	5.9
103.00343	1.5
108.02172	48.0
108.04549	32.2
109.02983	11.7
111.05100	1.2
112.98786	1.7
113.02421	5.6
119.03482	1.9
120.01218	1.4
122.03754	8.3
134.03688	3.2
135.04544	10.1
149.00894	4.9
150.03189	2.0
152.01152	100.0
152.03510	24.1
153.01918	6.4
161.02528	2.1
161.04539	3.9
163.04001	4.8
164.04474	1.4
165.05524	2.5
179.03485	2.4
188.22308	1.3
193.05066	3.9
194.05556	1.5
195.06577	3.6
205.12396	1.8
223.05969	2.8
223.13393	4.0
225.07573	2.1
284.13245	1.6
330.08963	2.2
399.09277	48.0
400.09567	2.9
420.13895	3.0
421.11343	2.1
445.20880	10.0
446.21216	1.5
552.13562	96.4
553.13446	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	551.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51501	0.5
59.01380	14.4
61.05718	0.4
61.98829	2.7
68.83540	0.5
71.01370	2.3
71.61177	0.9
73.02943	0.7
79.39141	0.4
82.37209	0.4
83.01376	0.5
85.02927	1.0
89.02428	1.6
101.02469	2.8
113.02415	1.1
119.03497	1.1
161.04712	0.6
167.71608	0.6
216.73512	0.5
235.08206	3.0
237.00287	0.5
245.96098	0.5
253.09293	12.5
255.23286	100.0
256.23590	7.6
325.30225	0.6
491.32730	0.6
537.48853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76611	0.2
59.01376	1.7
61.98831	100.0
70.39652	0.7
71.01382	0.5
72.99324	0.3
73.02933	0.3
87.00876	0.6
89.02438	0.5
92.68236	0.3
101.02465	0.4
108.02177	0.9
108.04576	0.3
108.05679	0.7
109.02969	0.5
116.92844	0.4
134.03709	0.6
135.04524	1.1
137.02458	0.4
149.00954	0.8
152.01154	2.1
152.04756	0.4
163.04042	0.3
179.03531	0.5
193.05112	0.3
195.06680	0.3
209.11749	0.4
210.07739	0.4
261.66885	0.3
399.09216	1.4
421.11383	0.4
435.29163	0.3
489.16385	0.6
496.83762	0.3
552.14581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
58.00609	1.2
59.01093	1.0
59.01384	18.0
64.86685	0.6
69.03460	0.9
69.28616	3.3
69.29052	2.9
71.01385	14.7
72.99301	0.9
73.02941	4.5
75.00900	0.8
83.01360	1.6
85.02945	3.5
87.00879	7.4
89.02439	9.4
95.01395	1.3
97.02947	1.2
99.00945	0.7
101.02442	11.9
111.08150	1.5
113.02447	5.5
118.57024	0.6
119.03519	2.4
123.04515	1.4
125.02411	0.8
131.03520	1.2
135.04510	1.8
142.11458	0.7
143.03529	1.5
150.03285	0.7
152.01166	0.8
161.04552	2.5
165.12846	34.0
166.13237	1.4
167.03481	3.8
167.14407	0.7
179.05629	1.0
183.13895	100.0
184.14227	4.2
195.13890	1.9
197.15465	15.9
207.13904	5.2
208.14035	0.7
209.11833	8.4
211.24655	0.8
219.13940	0.8
225.15002	8.2
227.12886	92.0
228.13258	5.3
241.14453	1.6
251.12878	3.1
269.13922	12.5
281.14059	0.8
299.14975	9.6
329.16037	31.9
330.16385	2.1
341.10873	2.1
371.17191	0.9
389.18210	67.5
390.18774	3.8
551.23438	42.8
552.23779	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	551.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	1.4
56.60009	1.2
57.03440	4.1
58.00589	3.6
59.01381	61.4
61.98831	24.0
67.01891	1.3
69.03452	3.2
69.37554	13.1
71.01383	45.7
71.05005	1.4
72.99290	4.9
73.02943	5.4
75.00861	2.3
83.01383	3.4
85.02935	8.5
87.00885	9.3
89.02444	38.6
91.36101	1.3
95.01384	3.3
97.02961	1.6
97.06598	2.2
99.00867	1.3
100.96920	1.4
101.02437	25.4
103.00355	1.3
111.08176	2.8
112.98821	2.7
113.02449	17.7
117.03454	1.4
119.03513	15.7
119.04977	2.9
123.04520	1.6
125.02441	2.4
130.99855	1.8
131.03490	2.6
134.03696	2.7
135.04535	7.9
137.02399	2.0
139.03922	1.3
143.03490	2.8
145.02930	4.1
149.00926	18.0
149.06091	3.2
150.03230	2.9
161.02510	2.3
161.04536	6.9
161.05911	2.5
163.04021	3.0
165.05531	2.1
165.12842	33.4
166.13150	1.9
179.03499	4.8
179.05644	10.0
183.13901	100.0
184.14140	4.0
197.15454	1.3
209.11804	3.1
211.09700	1.6
227.12891	81.4
227.80580	1.4
228.13177	5.6
237.11397	3.9
237.14928	8.0
251.12808	2.0
263.12863	7.0
271.19043	1.6
281.13892	5.8
299.15213	3.5
341.10910	24.1
342.11319	1.6
371.17307	10.5
372.17264	1.5
375.18741	1.5
382.69571	1.7
389.15726	11.5
491.32501	3.1
551.23444	87.4
551.30695	3.7
552.23767	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	551.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69043	1.0
55.01863	1.6
57.03439	2.5
58.00581	3.9
59.01381	100.0
60.01701	1.4
61.98840	8.8
71.01384	63.8
72.99300	8.0
73.02943	3.9
75.00863	2.1
83.01368	2.6
85.02951	13.3
87.00877	12.0
89.02448	85.4
95.01388	4.1
96.96033	1.2
97.02934	2.0
98.19839	2.7
99.00861	1.8
101.02444	32.9
103.00345	2.3
107.04966	1.2
108.02177	29.6
109.02978	11.9
109.06613	1.0
112.98799	2.2
113.01697	1.6
113.02452	30.2
116.92827	1.4
117.03437	2.0
118.98098	2.4
119.03502	37.5
119.04992	4.6
121.02962	18.6
121.37776	1.0
121.38656	1.1
122.03767	1.2
123.04532	2.7
125.02434	3.0
130.99858	2.0
131.03484	4.1
131.05023	1.4
132.02220	1.2
133.02995	2.5
134.03712	4.5
135.04549	7.9
137.02376	3.7
143.03514	6.7
143.74625	1.1
145.02922	5.5
147.04442	1.3
149.00952	5.9
149.02498	2.5
149.04506	3.3
149.06075	2.6
150.03188	4.2
151.03969	2.9
152.01157	60.5
153.01860	2.6
158.03709	1.1
159.04488	4.0
160.01633	6.2
161.02524	5.4
161.04575	5.6
161.05775	1.1
163.04018	5.6
164.04666	1.2
165.05550	5.4
166.06259	1.0
167.03474	5.0
173.06094	2.5
175.04025	10.0
176.04691	1.8
177.01874	1.7
177.05553	5.7
179.03487	4.9
179.05626	15.0
180.04289	2.2
187.03970	4.1
190.06313	2.6
191.07196	2.0
193.05003	5.6
195.06558	2.9
202.06432	2.3
203.03377	2.1
205.05031	6.1
205.08733	2.0
217.08554	1.4
219.02998	1.3
220.07385	5.0
221.07959	1.6
223.06035	3.2
227.12726	1.4
235.09706	4.9
257.14041	1.7
271.02496	1.7
272.02777	1.4
287.09204	4.6
293.03146	1.5
301.03091	1.5
302.03409	3.6
311.09274	7.2
326.11670	2.6
337.09128	2.6
341.10309	2.8
341.14035	1.5
356.68375	1.1
359.14972	2.3
371.14999	30.0
371.24551	1.9
372.15302	2.0
389.25616	2.3
419.13428	1.2
419.22791	3.4
429.10370	21.4
430.11057	1.5
434.23602	1.1
503.15439	2.3
507.10367	3.1
551.13934	44.7
551.23206	4.1
551.31061	24.8
552.14368	4.9
552.22388	1.3
552.31219	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	551.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.2
58.00597	2.6
59.01089	1.8
59.01379	25.1
60.22121	0.9
61.98833	5.7
64.56088	0.9
69.56409	3.4
69.56829	3.7
71.01382	12.5
72.44567	1.1
72.99316	1.8
73.02940	6.6
83.01385	1.4
85.02940	4.9
87.00864	7.3
89.02442	6.5
99.00885	1.0
101.02431	7.6
103.00400	2.0
108.02184	1.2
109.02967	2.8
111.08896	0.9
112.98812	2.3
113.02418	5.9
117.03469	5.9
118.98118	1.7
119.03471	2.3
119.05038	3.5
121.02945	6.0
122.03719	1.2
123.04493	1.5
129.05586	5.9
130.99855	1.0
132.02159	17.9
133.02959	5.4
134.03741	25.0
135.04529	8.2
137.02425	1.6
137.06239	0.9
145.02962	18.3
146.03732	2.7
147.04547	1.8
149.00934	3.2
149.02438	7.4
149.06102	4.7
150.03230	28.1
151.03963	1.9
153.01923	0.9
153.05586	1.3
160.01657	84.6
161.02449	11.5
161.04608	3.1
161.05948	1.7
162.03165	3.6
163.04019	5.0
164.04819	5.7
165.05571	16.9
167.03462	1.3
175.03999	100.0
176.04483	4.2
177.05588	3.6
178.02730	3.2
179.03505	5.9
179.07100	4.8
180.04256	3.1
193.05054	23.9
194.05585	1.3
195.06621	18.2
202.02664	1.3
205.05045	1.4
215.12903	0.9
219.02948	1.1
223.06015	1.4
235.06044	1.1
249.62173	1.1
255.02977	1.5
265.07245	1.8
271.02481	3.1
272.02744	1.5
273.03046	4.1
287.09317	1.6
293.03162	1.3
300.02777	4.3
301.03159	4.9
302.03427	6.5
303.04025	2.0
307.08243	2.1
337.09268	53.4
338.09665	3.7
371.24252	3.7
389.25598	1.6
419.13019	1.4
419.22543	1.6
421.24573	4.7
475.11966	1.1
491.32419	1.4
503.15591	81.7
504.15875	8.3
507.10635	7.0
510.27271	0.9
515.15637	2.1
533.16595	4.8
533.29749	2.5
551.17181	2.7
551.24213	6.4
551.31696	26.1
552.31433	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
58.00581	2.7
59.01381	23.1
61.98832	7.9
65.00342	1.1
69.37775	5.1
69.38191	2.0
71.01383	11.4
72.99303	1.8
73.02956	6.5
75.00883	1.3
83.01384	2.0
85.02961	4.5
87.00867	8.0
89.02048	0.7
89.02457	6.6
89.03968	1.0
93.03465	1.0
95.01399	1.5
96.95979	1.5
98.20602	1.3
99.00864	1.5
101.02460	7.6
103.00357	2.1
108.02147	1.7
109.02919	1.2
111.00815	1.0
112.03940	0.9
112.98813	2.3
113.02432	4.5
115.09943	0.8
117.03436	6.3
118.98083	2.1
119.03511	1.9
119.05022	5.6
121.02957	8.2
122.03693	1.7
123.04513	2.2
125.02420	1.6
129.05617	4.4
130.99872	1.1
132.02182	18.4
133.03026	4.0
134.03748	24.8
134.86320	0.8
135.04553	7.0
137.02428	2.6
143.03435	1.0
145.01852	1.3
145.02953	20.0
146.03685	2.0
147.04518	2.3
148.01724	0.9
149.00935	4.1
149.02455	8.8
149.06061	5.9
150.03229	29.4
151.00386	1.0
151.03894	2.4
152.00894	1.2
159.52876	0.9
160.01662	86.6
161.02444	12.3
161.04539	2.2
161.06000	1.0
162.03191	3.9
162.55353	0.9
163.03999	5.8
164.04800	5.9
165.01968	1.0
165.05556	20.7
175.04004	100.0
176.04402	3.9
177.05580	3.7
178.02678	1.5
179.03525	7.2
179.07153	3.8
180.04240	3.4
187.04036	1.1
193.05063	28.2
195.06636	18.8
203.03566	1.2
217.04907	1.1
219.02869	1.6
223.06082	1.9
235.06149	1.9
243.03188	0.9
255.02852	1.4
256.03290	1.4
257.03470	1.4
263.66681	0.8
271.02615	2.4
272.02731	2.8
273.03055	2.3
287.09232	1.7
300.02884	5.1
301.03256	5.6
302.03476	5.0
303.04025	3.6
307.08063	2.3
329.10196	1.3
337.09283	51.8
338.09509	3.3
345.88855	0.8
371.24261	2.8
389.14902	1.3
419.22400	1.8
421.24203	3.6
491.32056	3.0
503.15607	83.8
504.15921	8.6
507.10449	7.2
509.33231	1.1
515.15588	2.0
533.16449	6.1
533.29419	3.5
551.17328	3.8
551.24115	5.9
551.31671	26.1
552.31757	2.0
576.19421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	1.5
59.01379	21.7
61.15769	0.8
61.98830	8.1
69.82703	3.9
69.83126	1.6
71.01392	6.2
72.99297	1.7
73.31194	0.7
78.95907	1.7
85.02940	2.1
87.00853	1.5
89.02443	5.3
89.03558	1.2
91.60844	0.8
96.04571	1.2
96.96006	1.3
96.96915	2.3
101.02456	4.6
103.00349	2.1
107.01414	0.9
108.02176	24.3
113.02462	5.1
116.92870	2.8
119.03502	2.2
123.00918	1.2
123.04533	14.7
124.07679	1.0
135.04494	1.7
149.00899	2.0
149.06020	2.5
150.03203	1.0
151.00331	1.3
152.01158	24.6
165.01910	1.3
165.05611	0.9
166.02663	2.7
166.05080	1.1
167.03494	100.0
168.03835	3.1
168.06676	7.0
179.03452	1.4
181.05006	2.4
186.98309	0.8
193.05074	2.3
194.02217	1.6
195.06612	0.9
209.02750	1.1
209.04582	15.4
219.44215	0.9
239.05499	2.3
252.69069	0.8
269.06610	4.9
301.11179	1.0
318.11465	0.9
329.08765	59.1
330.09082	3.7
408.17838	0.9
519.13788	1.7
551.16138	1.3
552.13660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.7
61.98831	100.0
69.46782	11.3
71.01395	3.4
71.88423	1.5
72.99327	2.9
85.02959	2.4
87.00864	7.6
88.98800	2.6
89.02441	2.6
95.05021	1.9
96.96001	2.6
101.02505	2.2
103.00364	5.2
116.92894	2.2
123.04541	24.0
125.02475	2.5
130.99945	2.4
134.03775	2.3
135.04529	6.0
137.02446	2.3
139.03984	2.2
149.00920	8.1
149.01987	1.3
149.02354	1.4
163.03975	2.5
165.01950	3.7
167.03497	95.7
168.03793	3.8
178.02675	3.7
179.03522	10.4
180.04228	4.5
191.03523	18.5
193.05035	8.9
195.06592	2.5
209.04570	6.7
209.11781	2.2
225.07639	4.3
248.24629	2.0
306.78708	1.6
329.08762	54.1
330.09119	2.5
330.86578	1.7
499.31122	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	551.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19768	0.9
58.00589	3.8
59.01381	94.4
66.94169	0.9
69.56337	2.2
69.56756	5.6
71.01366	1.4
72.99297	5.4
73.02955	1.3
73.38765	1.0
75.00876	1.1
85.02945	0.9
87.00879	33.2
87.10425	1.1
93.03468	2.5
97.06554	1.1
101.02464	1.2
103.00375	44.3
109.03020	1.1
112.98804	11.8
120.40319	0.9
121.02917	4.6
122.03765	9.8
123.04520	2.9
130.99870	15.8
133.02943	1.5
134.03728	2.2
135.04536	4.7
137.02455	2.0
145.02928	1.6
147.04491	1.7
149.00926	15.0
149.02440	25.6
150.03235	44.2
151.03737	1.1
152.01144	4.8
163.04012	3.6
164.04797	15.6
165.01999	1.5
165.05563	52.2
166.05965	1.6
167.03439	4.6
169.05081	1.7
175.04160	1.1
179.07106	6.4
180.04253	3.5
182.78799	1.0
193.01401	9.9
195.06630	41.0
196.06976	2.1
203.03563	1.3
208.03752	27.0
209.04105	1.2
223.06107	100.0
224.06425	4.7
262.34018	1.0
262.55539	0.9
276.40146	0.9
302.03284	1.4
347.10748	1.4
347.14975	29.2
348.15106	1.0
376.17636	1.4
419.13535	8.6
419.22586	1.2
507.10272	1.4
551.13147	1.2
551.31274	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	1.8
59.01380	61.1
61.98813	4.1
62.54010	1.7
69.58804	13.7
71.01376	5.0
72.99308	4.0
74.83467	1.7
85.02980	2.4
87.00383	2.9
87.00885	40.4
89.02442	5.3
101.02440	4.6
103.00373	26.0
105.03404	1.9
109.02914	2.0
112.98814	6.9
113.02453	2.9
119.05077	2.1
121.02947	6.6
122.03738	2.6
123.04491	4.6
130.99855	6.6
133.02963	3.0
134.03748	55.7
135.04482	6.0
137.02438	14.6
139.03931	2.4
147.04526	2.3
148.05298	3.1
149.00940	11.6
149.02434	15.1
149.06107	12.3
150.03241	20.9
151.00357	6.3
151.03941	2.6
152.01102	4.4
163.03951	2.5
164.04790	7.6
165.01941	59.9
165.05574	25.5
166.02792	10.0
167.03398	2.2
178.02739	20.1
179.03479	12.2
180.04298	45.9
181.05070	19.7
191.07089	3.9
193.01335	4.1
193.05060	100.0
194.05542	6.2
195.06631	68.5
196.07001	2.5
208.03838	10.3
210.05281	9.4
211.06133	21.9
223.06122	41.5
225.07695	28.7
226.08063	2.0
229.39078	2.0
238.89252	1.8
285.04187	4.4
291.47580	2.2
309.07791	3.1
312.10025	2.2
327.12204	2.9
357.13638	13.5
371.11349	5.2
419.07861	3.6
419.13519	71.1
420.13705	7.8
551.27155	2.9
573.65424	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68949	0.8
58.00581	1.4
59.01380	22.2
61.98827	2.4
62.72421	0.8
71.01383	4.4
72.90775	0.8
72.99313	2.3
73.02945	2.8
74.06671	0.9
83.01405	1.8
87.00880	17.1
89.02460	3.3
92.97006	0.9
93.03477	2.5
101.02445	3.0
101.40721	0.9
103.00379	6.8
105.03444	0.9
108.02181	1.0
109.02922	2.9
112.98817	2.2
113.02436	1.6
119.04967	1.8
121.02968	9.3
122.03759	6.5
123.04513	5.7
123.76123	0.8
124.01615	1.1
130.99854	3.0
133.02974	1.4
133.06548	0.9
135.04527	5.1
136.01631	1.0
137.02451	1.4
147.04497	1.3
149.00978	3.8
149.02446	44.0
150.03230	57.0
151.00273	1.0
151.04016	18.4
152.01178	5.8
161.02524	1.4
161.04533	1.0
163.03999	5.1
164.03445	1.9
164.04799	30.1
165.01942	1.6
165.05566	64.0
166.05881	2.1
167.03522	1.5
169.05063	2.5
178.02644	1.1
179.02061	0.9
179.03476	1.3
179.05737	1.0
179.07124	5.0
180.04257	3.7
181.05060	18.6
181.06549	1.4
193.01410	10.9
193.44875	0.9
195.06615	23.8
196.06935	1.4
198.57458	0.9
208.03766	29.8
209.04140	1.5
222.05328	1.6
223.06108	71.2
224.06429	3.8
237.07669	1.5
285.04147	1.1
312.09747	1.4
329.08890	1.8
347.15048	1.0
371.11145	5.8
389.16263	1.4
419.13458	100.0
420.13733	8.8
551.22400	1.8
551.30701	6.5
571.72516	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23501	1.4
53.34694	1.4
54.17329	1.4
56.12729	1.6
58.00584	4.5
59.01377	100.0
60.01668	1.7
61.98829	15.2
70.21402	6.0
72.99311	9.9
72.99654	2.1
73.02928	1.8
76.22836	1.5
85.55238	1.5
87.00879	39.4
89.02431	2.7
94.65772	1.8
101.02452	2.3
102.99694	3.2
103.00371	49.0
112.98808	11.3
121.02929	2.2
122.03738	5.3
123.04473	2.1
130.99847	17.3
134.03740	25.0
137.02455	7.2
149.00917	28.0
149.02336	4.5
149.06073	7.1
150.03229	9.6
164.04898	2.7
165.01924	30.8
165.05562	8.9
166.46935	1.5
178.02760	11.3
179.03424	6.5
180.04294	21.8
193.01494	2.3
193.05058	58.1
194.05435	3.2
195.06625	32.1
196.06841	2.2
196.62285	1.7
208.03722	3.3
209.11862	1.5
210.05315	4.9
223.01128	1.3
223.06064	16.4
224.28973	1.7
225.07651	28.1
287.14954	7.1
329.08734	4.3
355.28693	1.5
371.11142	3.8
377.38181	1.5
419.13779	6.9
551.14240	2.8
564.04413	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	551.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	3.5
59.01382	85.4
59.19310	1.2
69.67915	8.8
72.99313	6.1
87.00877	34.6
93.03468	2.2
93.57577	1.5
101.79717	1.2
103.00375	40.9
112.98834	9.6
121.02975	6.4
122.03720	5.7
122.54906	1.3
130.99872	13.8
135.04521	1.8
149.00935	11.1
149.02437	26.0
150.03235	44.9
152.01166	5.4
163.03978	3.5
164.04791	14.9
165.01930	1.8
165.05568	57.9
166.05934	2.3
167.03387	1.5
169.05043	2.6
179.07164	5.3
180.04221	3.5
193.01398	10.9
195.06625	47.0
196.07025	2.6
208.03761	22.8
209.04100	1.3
223.06113	100.0
224.06493	4.1
285.44083	1.4
316.92188	1.3
371.11502	6.8
419.13425	21.3
510.30371	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54785	0.9
56.73722	0.8
57.03464	0.8
58.00579	0.9
59.01381	34.5
61.98831	5.3
69.58655	2.5
69.59082	4.1
71.01376	15.8
72.99315	3.2
73.02950	4.1
73.11830	1.0
75.00884	0.9
76.85644	0.8
83.01398	1.5
85.02946	7.6
87.00871	14.3
89.02443	3.7
93.03442	1.6
95.01403	1.4
99.00896	1.2
99.04536	1.1
101.02443	8.6
103.00362	9.7
106.04239	1.5
107.05028	3.9
108.02168	4.1
109.02964	5.2
112.98802	3.2
113.02468	7.6
117.03503	1.2
119.05041	1.1
121.02959	7.5
122.03740	100.0
123.04543	20.3
125.02451	1.2
130.99857	3.4
131.05037	2.1
133.02930	1.2
133.06587	3.1
134.03740	15.8
135.04585	5.4
137.02448	5.5
137.06084	3.0
143.03506	1.3
145.02945	1.8
147.04506	3.4
148.05295	1.5
149.01064	7.0
149.02377	8.8
149.06079	8.2
150.03241	11.0
151.03946	1.7
152.01208	1.2
159.03091	1.8
159.04335	1.7
161.02446	1.2
161.04568	17.9
164.04756	5.2
165.01927	13.3
165.05577	22.5
166.02646	3.1
167.03468	1.5
175.03960	1.3
177.05583	7.6
178.02699	6.5
179.02080	0.9
179.03493	6.0
179.05698	1.2
180.04283	7.8
181.05037	4.1
193.01334	2.2
193.05061	24.8
194.05585	1.0
195.04834	1.3
195.06621	21.6
195.08125	0.8
203.03555	4.5
204.05847	0.8
208.03784	5.1
209.11758	0.9
210.05325	2.2
211.06110	6.0
221.04657	1.2
223.06104	20.4
225.07649	4.8
227.12871	2.9
269.13989	1.0
285.09818	5.1
287.14944	9.2
297.07538	1.5
329.08768	57.0
330.09213	3.7
347.11261	1.8
357.13480	1.6
371.11209	7.3
419.13489	22.0
474.84650	1.0
551.14172	11.5
551.27612	0.9
552.15002	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80098	0.9
55.84655	1.0
58.00580	4.2
59.01382	100.0
61.98833	43.3
64.33656	0.9
66.18806	1.0
71.01381	7.7
71.60687	1.4
72.19610	1.0
72.99306	8.7
73.02940	2.2
85.02969	2.0
87.00880	43.5
89.02439	5.4
93.03450	1.6
99.00885	1.3
101.02457	5.1
103.00380	42.5
112.98827	9.8
113.02419	4.2
119.03431	1.2
121.02947	3.9
122.03732	6.0
123.04574	2.3
125.02448	1.4
129.05779	0.9
130.99869	20.4
133.03000	1.5
134.03743	22.7
135.04541	4.9
137.02412	7.2
139.00357	1.7
142.25458	1.0
143.03476	1.0
148.92075	1.0
149.00899	24.1
149.02409	11.7
149.06056	7.3
150.03242	14.5
152.01106	1.5
159.04414	1.1
161.04510	3.1
163.03992	1.7
164.01047	1.3
164.04755	5.9
165.01935	24.8
165.05573	16.5
167.03522	2.1
178.02728	9.7
179.03510	8.1
179.05647	1.4
179.07085	2.2
180.04282	18.9
181.04973	1.1
184.57068	1.2
189.84229	1.1
191.07092	1.1
193.01382	3.8
193.05072	46.5
194.05516	2.7
195.06619	39.4
195.07990	0.8
196.06955	1.9
206.92500	1.1
208.03793	8.7
209.05997	1.2
210.05293	4.6
223.06133	33.1
224.06508	1.7
225.07687	24.7
226.80717	1.1
265.04834	1.2
269.08163	1.7
287.14954	3.0
297.07800	3.5
312.10037	3.2
329.08759	2.9
356.08743	1.1
357.13385	1.1
359.15076	1.9
371.11365	20.5
372.11581	1.3
419.13528	19.4
420.13895	1.5
491.20297	1.3
500.36356	1.2
547.43829	1.0
551.13867	1.1
551.26563	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	549.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03462	1.6
58.00594	0.5
59.01384	100.0
60.01720	1.6
61.01806	0.8
61.98831	4.4
68.99819	0.3
69.03471	0.6
69.31792	0.2
71.01390	11.3
71.05022	0.2
72.01722	0.4
72.75374	0.2
72.99316	0.8
73.02954	4.0
80.96525	0.3
83.01392	2.9
84.01739	0.2
85.02955	7.6
86.00082	0.3
87.00889	1.4
89.02457	1.8
95.01399	1.3
97.02955	0.7
99.00899	1.7
100.92602	0.2
101.02449	7.8
111.00883	1.0
112.81991	0.2
112.98823	1.0
113.02461	7.1
115.04047	0.5
119.03545	0.4
119.05044	0.2
121.03022	0.3
125.02456	1.0
133.02953	0.3
135.04533	0.8
137.02483	0.4
143.03517	1.5
143.10822	0.6
147.32584	0.2
149.00925	1.0
159.03011	0.4
159.06667	0.4
161.04558	2.5
163.03958	0.3
197.15417	0.4
211.95331	0.2
231.10178	0.2
256.37708	0.2
283.22766	0.5
299.25879	1.6
327.28860	0.3
328.92224	0.2
343.28717	0.3
344.28818	0.2
345.30099	6.7
346.30685	0.4
387.31116	0.3
441.32077	0.6
453.32111	0.3
459.33102	0.4
489.34305	34.9
490.34622	4.1
505.10214	0.3
507.35361	15.2
508.35782	1.7
549.19226	0.5
549.36194	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.8
58.00580	3.1
58.25291	2.1
59.01380	78.8
61.98819	6.7
63.02391	2.0
64.97101	1.7
65.00319	15.6
66.61155	1.8
69.56055	9.9
69.56474	3.9
71.01378	8.7
72.99310	4.7
73.02941	3.3
74.02466	2.5
83.01387	7.6
84.09052	1.9
85.02927	5.2
87.00875	30.9
89.02441	8.4
101.02434	6.9
103.00372	21.8
105.03436	2.0
107.01386	20.2
112.98809	6.8
113.02460	7.0
115.03917	1.8
119.03498	3.0
121.02972	4.4
122.03735	6.6
123.04497	9.4
125.02477	9.6
130.99867	12.1
133.02939	5.5
134.03729	5.2
135.04507	9.5
137.02443	3.1
149.00934	10.7
149.02441	19.7
149.06117	2.6
150.03233	34.1
151.00377	100.0
151.03964	15.4
152.01129	11.9
161.02448	3.7
163.04021	6.1
163.18654	1.9
164.04774	10.7
165.05577	30.2
167.03481	5.4
175.04012	4.3
177.89209	1.8
178.99843	4.7
179.03496	6.1
179.05673	1.9
179.07254	3.4
180.04248	2.9
193.01495	4.7
193.05019	7.4
195.06619	26.0
208.03780	16.8
223.04034	4.0
223.06126	55.2
224.06525	2.3
227.12856	4.3
227.26549	1.7
251.79716	2.0
257.04404	1.9
285.04041	47.5
286.04190	4.6
287.14905	5.1
371.11502	3.1
381.08228	4.3
419.13547	17.5
507.11490	13.6
551.14081	3.5
551.27692	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	549.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58992	0.9
52.07804	1.0
52.19926	0.9
56.25670	0.9
59.01383	16.1
61.98826	2.9
64.38098	0.9
71.01392	2.0
71.61761	1.2
72.17578	0.9
73.02959	1.0
80.96519	0.9
85.02960	1.2
87.00864	1.5
89.02456	3.3
101.02419	2.3
113.02435	1.6
119.03500	1.2
177.33023	1.0
235.08286	1.7
253.09296	14.6
253.21716	100.0
254.22025	5.8
462.35526	1.0
524.40668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03446	1.4
59.01379	100.0
60.01706	1.0
61.41763	0.2
61.98829	2.2
69.03456	0.3
69.28069	0.9
69.28499	0.8
71.01383	8.3
72.99323	0.5
73.02952	1.6
83.01395	2.1
85.02948	4.7
85.03437	0.3
85.29327	0.2
86.00121	0.3
87.00882	1.1
89.02447	1.5
95.01398	1.4
97.02943	0.4
99.00892	1.1
101.02439	4.2
102.76340	0.2
103.00401	0.2
111.00928	0.3
112.98830	0.9
113.02451	8.6
119.03548	0.3
119.05042	0.9
121.02975	0.4
125.02481	0.7
127.11314	0.9
128.91772	0.2
133.02974	0.3
134.03766	0.5
135.04553	0.4
137.02499	0.2
143.03482	0.9
146.03738	0.2
147.04530	0.2
149.00967	0.2
159.03030	0.4
161.04587	1.6
161.05783	0.3
163.04041	0.6
164.04857	0.2
178.02678	0.3
179.05707	0.2
179.07280	0.2
189.09216	0.2
203.03532	0.4
253.90376	0.2
271.19247	0.4
277.03738	0.6
284.06894	0.3
299.25781	1.2
300.02841	0.3
311.13007	0.8
343.15601	0.2
345.30063	6.2
346.30380	0.4
382.04163	0.2
389.28967	0.4
403.19745	0.3
441.32596	0.4
442.24741	0.2
455.39218	0.2
489.34323	23.6
490.34570	2.5
507.35352	7.0
508.35504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13009	1.0
52.87894	1.0
57.03437	3.2
58.00594	1.3
59.01382	34.1
60.99289	3.3
61.98829	18.8
62.83014	1.1
63.03199	1.1
69.03443	1.2
69.53255	1.0
71.01382	25.2
71.61375	1.6
72.99299	4.0
73.02934	4.8
83.01394	2.2
85.02953	5.9
87.00878	10.9
88.98811	18.1
89.02447	24.8
93.03442	1.3
95.01388	1.7
96.95983	4.1
99.00879	2.0
99.04533	1.3
99.92602	1.0
101.02450	14.4
103.00369	1.3
108.02138	1.2
108.18694	1.0
109.02926	2.4
111.00902	1.2
112.98825	1.4
113.02446	9.3
115.00313	1.5
116.92836	3.5
117.03404	1.5
119.03500	8.3
119.04998	3.1
120.01254	1.1
121.02932	1.9
123.00883	9.7
123.04530	1.9
124.01670	24.5
125.02457	13.0
128.03523	1.4
133.02939	2.0
133.05075	19.0
135.04544	7.8
137.02429	1.9
138.05652	1.3
143.03459	2.7
145.02933	2.5
149.00896	7.5
149.02379	3.0
149.04572	2.4
149.99591	32.0
151.00241	2.1
152.01183	1.3
160.03998	3.0
161.02458	2.7
161.04555	6.7
162.03221	1.3
163.03984	4.4
167.03484	1.9
168.00642	83.7
169.01392	6.2
175.03929	1.6
177.01811	1.1
179.03461	4.6
179.05650	6.3
181.08678	2.3
203.03436	1.1
223.05943	1.6
241.05072	1.8
245.30736	1.1
271.09744	2.4
283.10828	1.5
301.05566	4.5
387.10760	1.2
387.20041	3.3
415.08844	10.6
417.11905	4.5
459.15042	3.3
505.11084	1.2
549.14545	100.0
549.24695	5.3
550.14862	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	549.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14349	0.7
55.01871	3.1
57.03448	4.2
58.00576	2.4
59.01380	61.0
61.98830	11.4
69.03447	1.6
69.54203	5.7
71.01384	66.9
72.23269	0.8
72.99297	4.3
73.02946	23.2
75.00861	2.2
83.01389	8.1
83.05007	1.0
85.02951	25.7
87.00878	6.2
87.04523	1.9
88.98808	7.6
89.02444	34.3
95.01391	5.5
96.95980	0.8
97.02959	3.0
97.06595	1.5
99.00877	13.1
99.04503	0.9
101.02445	41.2
103.00366	1.0
107.04971	0.8
109.02942	1.9
111.00869	2.4
112.98816	2.5
113.02448	21.1
115.04014	1.9
117.03438	1.5
119.03487	4.4
119.05016	3.3
121.02972	2.2
125.02465	5.8
131.03529	5.9
132.02188	1.4
133.02023	1.2
133.02968	16.4
134.03703	2.7
135.04532	14.4
137.02437	1.8
143.03450	3.1
145.02989	5.5
149.00920	3.1
149.04544	7.0
149.05780	1.1
149.05959	1.0
150.03188	1.1
151.00389	0.9
151.03976	1.1
159.02910	2.5
160.01625	1.0
161.02449	48.4
161.04500	16.9
162.02757	2.1
162.04855	0.9
163.03989	2.7
165.05525	0.9
167.03481	1.0
175.03946	1.1
177.01936	1.0
179.03484	9.5
179.05528	2.1
187.26494	0.7
191.05580	1.9
192.10464	0.8
193.05055	1.8
219.02959	1.1
221.04715	0.9
223.06009	2.4
225.11287	1.3
233.06667	2.2
243.09943	0.7
253.23282	0.7
255.02849	0.9
255.08742	1.7
260.82016	0.8
271.02466	1.7
293.02994	0.9
293.08691	1.3
300.02701	3.0
325.23547	0.9
343.24609	0.9
375.23758	2.4
387.14050	1.0
387.23828	7.8
399.23474	0.9
417.24951	28.4
418.25235	2.8
489.30450	2.7
505.09671	2.4
507.27765	4.8
549.23260	19.3
549.29138	100.0
550.23462	2.4
550.30151	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	549.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09744	0.3
59.01385	1.3
68.80645	0.3
69.40158	2.0
73.47803	0.3
75.00827	0.3
77.03971	1.8
80.71172	0.2
83.85642	0.3
93.03464	0.5
119.41882	0.3
121.02959	100.0
122.03299	2.2
135.04529	0.3
137.02403	0.4
165.01933	55.5
166.02296	1.4
180.05835	0.8
181.06587	3.1
197.06105	2.5
207.04514	0.9
207.08177	0.4
223.04044	0.5
225.05579	1.5
247.65321	0.3
251.07111	0.3
257.09793	0.6
313.07214	1.1
357.06281	0.6
374.59631	0.3
383.07718	0.4
413.85583	0.3
417.09686	2.1
505.11441	2.1
549.10370	28.0
550.10706	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	549.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	2.6
59.01374	38.1
61.98828	10.9
65.00333	2.9
69.43861	21.1
71.01385	13.3
73.02970	5.6
83.01409	2.9
85.02943	5.8
87.00883	5.7
89.02463	9.3
94.25021	2.4
98.20665	5.0
99.00891	4.8
101.02447	9.8
103.00309	2.5
109.02895	4.6
113.02448	7.9
119.05006	8.3
121.03001	4.2
135.04543	8.3
145.02931	8.9
149.00938	4.9
151.00336	12.9
153.01913	3.6
161.02423	7.8
163.00354	2.9
163.03999	9.4
164.04443	4.5
177.05516	2.7
178.99905	4.2
179.03481	9.8
191.05681	2.9
193.04906	3.3
203.03560	4.4
227.03528	7.2
240.84323	2.8
243.03029	14.3
255.02972	29.4
271.02472	55.4
272.02991	5.9
284.03207	8.7
285.04056	3.2
300.02740	100.0
301.03516	53.9
301.06857	4.4
417.12390	2.9
417.21231	8.1
438.77237	2.8
505.09875	73.5
506.10263	7.2
549.12756	7.9
549.21661	3.4
549.29010	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	548.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42757	0.3
59.01379	51.6
60.01710	0.6
61.98830	100.0
69.03420	0.4
69.33418	2.0
69.33844	1.5
71.01384	4.3
72.99312	0.7
73.02939	1.7
83.01380	0.9
85.02964	1.8
87.00874	1.5
88.98782	0.4
89.02436	1.9
93.03463	0.4
99.00871	0.9
101.02442	2.9
103.00356	0.4
109.02914	0.5
112.98830	2.0
113.02420	1.6
119.04998	0.5
120.05329	0.4
133.02942	0.5
135.04506	3.0
137.02368	1.1
139.03935	0.5
143.03471	0.5
147.04509	0.6
149.00926	0.4
149.06075	0.6
150.03197	1.3
152.01154	0.4
152.17351	0.4
161.02461	0.5
161.04541	1.8
161.56024	0.3
163.03908	1.0
165.05528	0.8
167.03485	0.4
179.03424	1.7
180.03680	0.4
184.44133	0.4
194.08876	0.4
203.07173	0.6
217.08682	0.9
219.02901	0.7
279.79626	0.4
293.02896	0.4
369.13437	2.0
387.14185	0.9
399.23895	2.5
416.23331	0.6
441.24704	2.1
447.86362	0.4
512.64270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56581	1.4
62.26783	1.6
65.00327	2.4
69.68195	6.9
69.68603	3.2
76.69497	1.4
86.64312	1.4
93.43567	1.5
95.98351	1.5
98.19950	2.2
106.27990	1.4
107.01388	4.3
108.02174	3.1
109.02934	3.9
121.02969	1.8
148.01672	3.3
151.00377	13.2
163.00354	4.7
178.99898	5.3
187.37637	1.5
187.76277	1.7
193.66263	1.5
199.04030	2.3
211.03893	1.9
226.02718	3.3
227.03448	5.5
243.02922	15.8
245.04597	2.0
254.02216	2.8
255.02966	40.3
256.03336	2.9
271.02472	92.2
272.02744	7.6
283.02383	1.7
299.01837	2.4
300.02744	100.0
301.03488	45.0
302.03922	3.7
463.08722	4.4
505.09903	81.3
506.10248	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	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88001	0.4
59.01383	41.2
61.98832	100.0
62.67337	0.4
71.01387	8.2
71.61104	0.8
73.02952	2.8
80.71495	0.4
83.01408	1.4
85.02982	2.0
87.00871	0.7
89.02441	6.8
95.01397	0.9
99.00903	0.7
101.02447	8.9
113.02459	3.5
119.03505	3.2
143.03569	1.1
149.04587	1.1
161.04558	3.5
171.10226	0.4
179.05617	3.2
197.87558	0.4
203.05508	0.5
221.06612	0.4
253.09483	1.3
267.96793	0.4
297.44818	0.4
311.22229	1.9
312.22601	3.3
381.23077	1.2
399.23792	3.1
404.16357	0.5
408.87576	0.4
441.24982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53279	0.5
55.01874	1.1
57.03453	1.1
59.01380	100.0
60.01717	3.3
61.98831	61.7
63.99253	0.7
65.43524	0.5
69.72444	0.8
69.72745	3.2
71.01381	13.3
72.01753	0.7
72.99312	1.7
73.02930	3.2
81.88847	0.5
83.01368	2.6
85.02962	7.1
86.03315	0.9
87.00880	3.0
89.02459	3.8
93.03465	0.6
95.01402	2.2
99.00324	0.5
99.00859	2.7
101.02439	7.3
102.02801	0.8
103.00397	0.6
104.28168	0.5
109.02971	1.1
111.00916	1.0
112.98833	3.2
113.02456	8.2
114.02794	1.1
119.03526	1.1
119.05035	1.7
121.02964	1.1
125.02467	1.2
129.26529	0.5
130.99887	0.5
133.02956	0.9
134.03740	1.6
135.04559	2.4
137.02509	1.4
143.03474	1.0
145.02931	0.5
149.00880	1.2
149.04512	0.6
150.03215	0.7
159.03001	0.8
161.02545	1.0
161.04576	4.0
163.04059	1.9
177.05643	0.6
178.02591	0.6
179.03529	1.9
179.05452	0.6
185.04622	0.5
219.02930	3.0
279.05127	4.8
296.54349	0.5
300.03070	0.7
338.06366	3.2
343.28836	0.7
344.28815	0.5
345.30194	2.1
373.20007	0.6
394.89310	0.5
399.23834	0.6
441.24847	0.9
487.26477	0.5
487.32755	2.4
488.33102	8.9
489.34302	10.2
491.58527	0.6
505.33972	2.1
506.34122	5.1
507.35318	3.9
548.31573	1.4
549.19623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39993	0.6
53.78193	0.5
55.01878	0.5
57.03443	1.6
57.74778	0.6
58.00600	0.7
58.01226	0.5
59.01381	100.0
60.01715	3.2
61.98832	89.2
69.03448	0.9
71.01386	13.0
72.99313	1.6
73.02930	3.1
83.01379	2.3
85.02944	7.3
87.00880	3.2
89.02444	5.4
95.01406	1.5
97.02931	1.0
99.00862	2.1
101.02444	8.5
103.00392	1.6
109.02940	1.8
111.00851	1.2
111.30229	0.6
112.98854	4.2
113.02447	8.6
114.02796	0.7
119.03453	1.4
119.04974	1.1
121.02939	1.4
123.04484	0.6
124.01636	0.9
125.02422	1.6
126.02791	0.7
133.02910	0.9
135.04552	4.3
137.02368	1.9
137.50388	0.6
143.03485	1.6
147.04495	1.0
149.00871	1.3
150.03215	1.0
159.02975	0.8
159.04477	1.2
160.95659	1.7
161.04568	4.0
161.05771	1.1
163.03941	0.7
165.76257	0.7
171.13881	1.0
177.05577	0.6
179.03358	2.4
219.02859	1.2
219.09769	0.8
229.48988	0.7
287.09045	1.1
343.28329	1.2
344.28516	1.0
345.29675	2.0
365.25745	0.7
372.23666	0.6
387.14160	1.1
397.16101	0.8
399.22958	1.3
404.20694	1.9
404.70868	0.7
417.14819	0.9
434.91901	0.7
441.24149	2.3
451.56516	0.6
487.32770	3.8
488.33170	9.1
489.34375	6.1
505.33109	1.2
506.33240	2.5
507.35406	3.5
548.17529	0.9
548.24823	1.8
548.74487	1.6
549.17487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39844	0.6
59.01378	34.3
60.01723	1.3
60.99302	0.8
61.98832	100.0
69.85505	3.4
71.01388	8.2
72.99339	1.1
73.02949	5.7
74.97802	0.7
75.00877	0.6
83.01385	1.5
84.07026	0.6
85.02959	3.0
87.00887	2.6
88.98812	3.6
89.02447	4.6
95.01396	0.6
98.02466	0.7
98.20557	0.8
99.00854	1.8
101.02448	7.2
112.98822	1.9
113.02444	3.8
113.06100	0.8
119.03525	1.5
119.05031	1.7
120.34870	0.6
123.04549	1.8
125.02470	1.1
130.08829	0.7
133.02992	1.6
134.03732	0.9
135.04543	6.5
137.02454	1.3
145.02997	1.6
147.04454	0.7
149.00873	1.7
149.04573	2.4
149.06078	0.9
150.03217	1.6
151.04082	0.8
152.01187	0.9
159.04578	1.1
161.02486	3.0
161.04564	2.3
163.04021	2.0
165.05545	2.8
167.03424	0.9
175.04021	0.9
177.01961	0.7
177.05701	1.0
179.03514	3.3
193.05020	0.8
275.18445	0.6
279.90616	0.8
300.02686	0.7
369.13794	0.8
387.14578	1.9
417.14624	0.7
505.09900	1.0
548.26892	1.0
549.23090	1.6
549.30762	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.6
59.01381	67.0
60.01709	1.7
61.98833	100.0
69.35351	3.5
69.35772	1.9
71.01386	7.7
72.99316	1.3
73.02953	3.0
83.01407	1.2
85.02957	4.0
87.00877	2.3
89.02454	2.6
95.01373	0.8
98.20667	1.2
99.00904	1.8
101.02438	4.2
109.02973	1.2
112.98819	3.3
113.02448	4.8
119.05033	1.7
121.02979	1.0
125.02455	1.0
131.03502	0.7
133.02975	0.9
134.03764	1.3
135.04544	3.0
135.05502	0.5
137.02487	1.0
145.02945	0.8
145.83110	0.6
149.00978	1.3
150.03203	0.9
159.02986	0.6
161.04588	1.8
163.04033	1.8
178.02652	0.8
179.03471	1.1
189.09271	0.7
203.03564	0.7
219.03058	2.1
219.08006	0.8
279.05069	1.7
287.09335	1.1
316.18887	0.6
338.06729	1.6
345.30222	0.6
387.14349	1.3
441.25092	1.6
487.32626	1.3
488.32941	5.0
489.34372	3.2
506.34299	2.7
507.35318	1.5
548.31964	0.7
568.56952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
58.00603	0.7
59.01381	78.3
60.01706	2.2
61.98832	100.0
63.67553	0.6
70.85004	0.6
70.91849	1.5
71.01382	18.1
72.01718	1.8
72.32394	0.8
72.99323	1.9
73.02950	9.2
74.03277	1.0
75.00862	0.7
80.95643	0.6
83.01406	1.2
85.02956	4.6
87.00893	2.0
88.98821	1.2
89.02451	17.3
89.02995	1.0
90.02787	2.5
95.01380	1.2
97.02974	1.0
97.79259	0.6
99.00880	19.9
100.01237	3.0
101.02442	7.7
108.02180	0.7
112.98828	1.8
113.02446	6.6
114.02812	0.8
119.03525	1.6
119.05051	0.7
125.02471	2.7
131.03523	3.7
132.03815	0.8
133.02985	0.8
135.04553	1.5
137.02417	0.8
143.03526	1.0
149.00922	1.7
149.04550	15.8
150.03253	0.7
150.03775	0.7
150.04889	4.7
155.03448	0.9
157.85170	0.6
161.04578	2.4
165.05603	1.0
166.63670	0.6
167.10760	4.2
168.11119	3.4
179.03641	0.8
179.05576	0.9
191.05588	6.3
192.05991	2.8
203.05598	4.2
204.05997	1.8
233.06706	2.6
233.53020	0.7
234.07045	1.8
234.99966	0.7
335.09943	1.1
336.10257	1.2
343.15601	1.1
345.30142	1.2
387.14639	0.7
399.23914	1.2
441.24991	1.9
451.39981	0.6
488.33292	2.4
489.34335	4.0
506.34155	1.0
507.35587	2.2
549.20087	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29803	0.2
56.79124	0.2
57.01168	0.2
59.01381	0.2
61.98833	100.0
62.98568	0.2
68.37860	0.2
71.60159	0.3
74.08137	0.2
87.00912	0.2
88.98830	0.2
89.02431	0.3
93.09978	0.2
96.96024	0.5
153.08926	0.2
189.05591	0.2
220.95061	0.2
323.07834	0.6
386.14624	0.2
422.97659	0.2
548.12958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57050	0.6
57.03447	0.7
59.01134	0.7
59.01379	8.7
61.98818	2.0
62.36406	0.6
69.52131	4.7
71.01390	4.6
72.99310	0.8
73.02955	1.8
73.72799	0.6
73.79397	0.6
85.02940	1.6
86.02481	11.2
87.00871	1.4
88.04026	2.5
89.02432	3.0
91.05537	2.2
91.57633	0.7
98.19891	1.5
101.02444	2.1
101.82334	0.6
107.05050	4.2
108.02142	1.0
109.02955	10.3
113.02431	1.7
115.00336	0.8
117.03481	0.7
119.03463	0.8
119.05006	1.7
121.02998	1.9
122.03746	9.6
123.03717	1.1
123.04537	16.2
124.01653	1.1
125.02456	1.1
129.05658	0.6
131.56700	0.6
132.02156	4.7
133.02925	2.0
134.03751	12.1
135.04527	70.4
136.04871	2.6
137.02457	2.2
148.07666	1.5
149.00868	0.9
149.06082	2.1
150.05612	1.2
154.02711	1.8
160.01663	26.5
161.02483	4.9
161.04541	1.2
161.05936	0.8
163.03986	2.1
164.07152	2.3
166.08667	1.0
175.04002	33.7
176.04457	1.2
177.01971	0.8
179.03506	50.8
180.03877	0.8
193.05046	8.0
210.07715	100.0
211.08069	4.0
283.02466	0.9
323.07718	2.2
337.09286	35.1
338.09671	2.4
340.13727	0.7
342.13519	1.8
353.11255	0.7
354.11938	1.0
372.12982	51.1
373.13348	4.3
386.12082	2.2
417.11880	1.0
548.17804	22.6
548.26270	1.4
549.18146	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	547.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
57.03437	1.6
58.00587	1.8
59.01378	100.0
61.98830	22.7
66.22233	1.1
66.40527	1.1
69.03455	1.4
69.32576	10.4
71.01382	47.5
72.44082	1.1
72.99296	3.0
73.02944	27.4
83.01379	3.5
85.02941	5.3
87.00852	2.7
89.02444	66.5
90.02786	1.4
97.02936	3.6
99.00881	77.8
101.02452	12.9
112.98795	2.1
113.02438	12.9
119.03479	2.5
120.70862	1.0
125.02415	5.1
127.04079	1.5
131.03497	16.1
135.04448	1.3
143.03516	5.5
149.00900	2.7
149.04553	71.5
150.04790	1.6
155.03555	5.4
161.04538	3.7
167.09500	1.9
167.10782	26.1
191.05608	32.8
191.10721	2.6
192.05865	1.8
203.05608	20.5
209.11835	2.5
221.11807	2.3
233.06656	15.8
335.09790	6.2
353.10822	3.4
434.63837	1.1
466.38849	1.2
487.32547	5.0
505.33459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03449	1.8
58.00605	0.5
59.01384	100.0
60.01727	0.9
61.98832	2.7
69.97729	2.1
71.01389	13.4
71.05026	0.5
73.02955	3.6
77.19170	0.5
79.81662	0.5
83.01392	3.3
85.02960	7.2
87.00896	1.2
89.02468	4.4
93.07172	0.6
94.95504	0.4
95.01381	2.0
97.02964	0.6
99.00875	2.4
101.02448	8.1
111.00916	0.9
112.98875	0.8
113.02452	12.8
114.02779	0.5
119.03543	1.5
125.02422	0.9
143.03517	1.5
143.10834	0.8
149.04568	0.6
159.03026	0.9
160.06674	0.4
161.04550	5.0
173.56233	0.4
209.91203	0.4
213.18649	0.5
241.66068	0.5
244.99486	0.5
303.87677	0.4
325.27582	1.5
330.29123	0.5
343.28488	4.3
357.22513	0.6
367.28745	1.6
375.24069	0.9
385.16769	0.6
439.30807	1.0
457.31970	0.6
469.31955	0.5
487.32791	31.7
488.33035	3.7
505.33835	11.1
505.40781	0.6
506.34482	1.2
547.35315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03450	3.3
58.00598	1.0
59.01384	100.0
60.01699	0.6
61.98840	2.5
68.99789	0.3
69.03458	0.5
69.63053	0.8
69.63480	0.9
71.01388	14.9
71.05025	1.3
72.99331	0.7
73.02953	4.6
75.00876	0.3
81.03504	0.2
83.01405	3.0
83.01887	0.3
83.27170	0.2
85.02961	7.0
85.06603	0.7
87.00891	1.3
89.02449	3.0
95.01391	1.3
97.02970	0.8
99.00901	2.2
101.02451	9.6
103.00437	0.4
111.00913	0.7
112.01640	0.3
112.98882	0.9
113.02457	8.7
113.03234	0.5
119.03531	0.6
119.05037	0.7
124.01682	0.6
125.02480	1.1
134.29466	0.2
135.04518	0.5
143.03511	1.8
143.10797	3.1
159.03047	1.1
161.04570	7.2
163.04013	0.3
205.03687	0.3
211.17101	0.6
255.88371	0.3
283.26559	0.6
295.26328	0.3
297.24466	0.3
313.27512	1.2
325.27499	2.2
327.29126	0.4
341.27200	0.4
343.28525	7.6
344.29099	0.4
344.54907	0.2
367.28790	0.7
385.29800	1.3
453.32550	0.3
457.31885	0.5
469.32004	0.7
487.32794	28.0
488.33121	2.8
505.26440	0.6
505.33841	8.7
506.34250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.70902	0.5
57.03446	1.2
59.01381	11.6
61.98576	0.5
61.98836	4.7
66.88489	0.5
68.99809	3.4
69.03447	1.3
69.78280	1.8
69.78696	1.8
71.01387	6.7
72.99285	0.9
73.02934	2.8
75.00877	1.4
80.39294	0.5
83.01387	2.2
83.05049	0.6
85.02956	7.0
87.00870	4.6
89.02463	3.6
95.01408	1.3
95.40647	0.6
96.10166	0.5
97.02953	1.1
97.06625	0.7
99.00884	6.5
99.04530	0.7
101.02455	3.3
107.50529	0.6
109.02995	1.0
111.00888	2.0
112.98792	2.6
113.02473	5.9
113.99593	13.2
115.00388	6.8
119.04974	1.2
121.02979	3.4
125.02422	1.0
127.00388	4.6
128.42603	0.6
129.01955	1.8
133.03001	1.3
133.06693	0.6
135.04546	4.9
137.02448	0.6
139.00299	0.9
149.00815	0.8
149.04530	1.3
150.03275	0.7
152.01109	1.4
156.00621	1.3
157.01450	5.5
158.95700	0.6
159.04495	0.8
161.02484	1.6
161.04575	0.9
163.04019	1.3
163.07663	0.9
165.12874	3.7
169.01405	1.3
174.01703	10.2
175.02536	2.9
175.07567	0.8
176.01102	1.6
179.03473	3.1
183.13918	11.6
191.01689	0.5
191.03400	2.7
193.08673	2.9
203.03566	0.7
220.49568	0.7
221.94498	0.6
225.14896	0.6
227.12891	4.2
250.52716	0.6
259.13107	0.6
277.05664	14.0
307.96725	0.6
319.06827	0.9
337.07755	15.4
338.08099	0.8
348.27374	0.5
367.20755	0.6
373.25760	0.7
385.12637	1.6
385.22250	0.8
415.22964	0.7
487.18375	6.1
488.18945	0.7
505.26605	1.2
529.19543	1.8
547.20313	100.0
548.20667	10.0
558.56219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45836	5.1
59.01367	11.0
61.98830	30.2
64.65347	5.7
68.59041	5.9
69.26052	59.1
71.01387	9.4
83.01421	6.8
87.00871	8.7
88.98795	26.8
93.03438	6.0
109.52026	6.7
113.02480	7.2
116.92831	8.0
119.05023	88.5
122.35911	6.3
135.04538	11.9
137.02423	12.4
140.02095	5.9
145.02959	7.1
152.01144	5.5
161.02414	7.0
163.04001	100.0
169.01587	5.7
181.08705	8.0
193.05038	8.1
223.06117	6.2
275.06668	6.5
325.09412	47.5
383.86038	6.1
448.41531	6.8
456.54477	6.6
554.78198	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	547.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	20.5
60.99309	1.2
61.98518	2.3
61.98830	34.2
69.71960	8.5
71.01389	5.1
72.99302	2.1
75.68679	1.3
85.02936	2.8
87.00851	3.0
88.98811	7.3
89.02432	4.6
92.92846	1.5
93.03452	2.0
96.90182	1.4
96.96004	3.2
96.96956	1.2
98.19844	1.4
101.02454	3.7
113.02475	3.3
116.19396	1.2
117.03458	13.9
119.04230	2.3
119.05029	34.6
123.04498	2.0
132.06909	1.3
133.06587	3.0
135.04494	2.0
145.02954	100.0
146.03288	2.4
149.02475	1.5
149.06050	1.5
152.01172	1.7
161.06041	3.8
163.04007	51.7
169.43747	1.3
176.70157	1.4
179.07156	1.4
187.04005	3.0
191.07098	3.0
194.08287	1.5
205.05029	8.1
221.04436	1.7
222.63010	1.3
223.06125	1.5
226.35640	1.4
235.06056	2.3
236.99782	1.5
265.07080	4.1
325.09277	62.1
326.09650	5.5
406.31250	1.6
448.35825	1.3
459.14618	1.7
522.44702	1.4
547.16821	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	547.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25628	0.3
59.01372	1.3
60.30696	0.3
61.63400	0.3
62.58440	0.3
67.99445	0.3
69.64688	2.0
71.01385	1.1
77.56136	0.3
88.98817	1.9
89.02464	0.3
93.03464	0.7
101.02429	0.4
106.04247	1.1
107.05038	4.2
117.03472	6.2
119.05029	62.6
120.05399	2.2
121.02975	0.6
130.04263	0.4
131.05032	1.7
133.02988	0.3
133.06602	6.6
134.03688	0.4
135.04544	0.4
145.02985	0.3
147.04456	0.6
149.06094	5.2
149.07257	0.6
159.04543	4.5
163.04012	100.0
164.04333	4.3
177.05571	8.1
178.05835	0.4
179.03502	5.5
193.05009	0.5
203.03516	10.1
221.04533	3.0
255.58792	0.3
280.35715	0.3
325.09286	14.1
326.09601	0.9
335.62473	0.3
374.04721	0.4
547.14459	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
58.00581	0.5
59.01092	0.9
59.01379	15.6
60.99321	0.5
61.98827	1.5
62.93901	0.4
69.56049	3.3
71.01386	6.2
71.18539	0.4
72.99300	0.5
73.02956	1.5
77.59055	0.4
83.01372	0.6
83.05035	0.7
85.02962	2.3
87.00879	2.2
88.98788	2.2
89.02428	4.2
93.03461	1.0
95.01377	0.5
97.06557	0.5
99.00871	1.7
101.02441	4.2
106.04240	0.9
107.05038	4.5
108.02190	0.6
109.02998	0.6
112.98842	0.7
113.02438	2.4
117.03481	4.7
119.05027	63.0
120.05330	2.1
121.02966	1.6
123.04496	0.4
128.63025	0.4
131.03506	0.7
131.05020	1.1
133.02936	0.5
133.06598	5.5
134.03693	0.4
135.04552	2.6
135.06630	1.1
145.02888	0.8
149.00905	1.1
149.04593	1.4
149.06085	5.3
152.01213	0.5
159.04507	5.8
161.02429	0.7
161.04575	1.3
163.04010	100.0
164.04338	4.1
177.01906	0.6
177.05569	8.3
179.03508	5.8
179.05013	0.7
179.05731	0.5
187.11264	1.0
191.05652	0.5
203.03494	10.5
204.03836	0.8
205.12379	1.4
207.10196	1.1
221.04570	4.2
223.13448	1.3
239.03593	0.8
267.02991	0.6
268.03787	4.1
279.10995	0.5
283.06085	8.0
283.71704	0.5
297.11942	2.0
299.05984	0.5
325.09283	14.8
326.09552	1.2
347.52350	0.5
505.26401	1.0
547.15015	1.0
547.24640	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	546.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76630	0.5
57.03448	0.9
57.27886	0.4
58.00629	0.6
59.01381	26.0
60.01701	0.5
61.98833	100.0
65.40971	0.4
71.01387	7.9
71.62220	0.6
72.99315	0.8
73.02954	5.2
75.00854	0.6
83.01383	2.6
85.02961	2.8
87.00883	2.8
88.41824	0.4
88.98832	1.0
89.02437	5.8
92.11783	0.4
93.03474	0.7
95.01426	0.7
95.05055	0.7
99.00887	5.3
101.02461	6.2
103.00414	1.0
109.02970	0.8
112.98814	2.5
113.02454	4.1
119.03510	1.3
119.05041	1.9
121.02982	0.7
122.88473	0.5
125.02459	1.0
131.03539	1.6
133.02963	1.6
133.06639	0.8
134.03741	0.6
135.04552	5.6
137.02469	1.4
143.03543	0.8
145.02982	1.2
147.04601	0.5
149.00925	1.4
149.04584	2.7
149.06079	0.9
151.03987	0.5
151.07613	0.9
161.02472	1.4
161.04582	3.2
161.05916	0.5
163.04008	1.9
175.04088	0.6
177.01944	0.6
179.03503	3.5
187.11398	0.6
189.48840	0.5
191.05663	1.7
193.05019	0.6
203.03688	0.6
203.05649	1.2
237.03989	0.7
239.74171	0.5
297.11902	0.6
298.40250	0.5
299.05756	0.7
324.91705	0.5
385.22049	0.6
502.15067	0.6
505.26343	0.5
511.86169	0.5
546.26196	0.9
546.33801	0.6
547.28394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26859	3.4
50.41703	3.6
55.10048	3.4
57.03431	8.6
58.54380	3.6
59.01381	89.0
61.00421	3.5
61.98817	15.8
69.03469	4.2
69.45175	10.4
69.45581	25.0
71.01389	36.0
73.02953	18.7
75.00883	5.5
75.44632	4.1
83.01391	8.1
85.02934	8.9
87.00863	23.5
89.02431	26.8
91.01907	6.0
99.04488	8.3
101.02425	26.6
101.02972	4.1
105.11917	4.2
109.02952	6.8
113.02442	11.0
115.00369	7.1
116.92847	12.3
119.03505	8.4
119.05024	51.5
124.04059	4.6
125.02410	5.2
131.03479	8.3
133.02946	7.3
133.06560	6.9
135.00853	4.4
135.04517	13.7
143.03404	5.1
148.01620	5.7
149.00883	14.8
149.04553	9.8
149.06093	6.3
153.42186	4.0
159.04507	5.2
161.02396	9.8
161.04533	11.6
162.05510	5.2
163.02722	6.6
163.04018	92.7
166.49718	4.3
167.03442	7.0
175.02449	13.0
177.05685	5.9
179.03496	14.0
181.03352	4.2
200.08226	3.9
203.03426	6.5
205.12299	4.7
209.73306	4.0
221.06555	5.9
223.13385	11.0
224.05690	4.6
235.06146	5.6
240.04269	7.7
255.02956	20.6
267.02957	3.7
267.12167	6.9
283.02496	10.2
284.03278	84.6
297.11850	8.4
299.05615	100.0
300.05923	5.3
325.09222	15.0
348.02884	4.7
371.11530	4.0
373.06915	4.5
379.43750	4.5
386.10760	6.7
443.15024	4.9
503.11795	57.8
504.12280	9.4
547.26349	6.4
551.15930	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	545.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10065	0.5
54.75970	0.5
55.01886	1.0
57.03443	1.2
59.01093	1.0
59.01382	19.3
61.98832	2.2
69.03446	1.7
71.01389	10.6
71.30653	1.2
72.99317	1.0
73.02940	1.9
82.99026	0.5
83.01376	1.6
83.05039	0.9
85.02957	3.1
87.00897	2.7
89.02444	11.6
95.01408	1.2
95.04975	0.5
97.02960	4.5
97.06610	0.8
99.00883	1.2
101.02453	10.8
104.90340	0.6
109.06583	0.7
111.08154	9.2
112.98827	1.5
113.02462	6.1
119.03514	3.2
123.08196	0.6
125.09734	1.0
135.04510	2.2
135.08022	0.6
137.09686	1.1
149.04631	0.5
153.12869	0.7
161.02521	0.6
161.04573	4.5
163.11322	0.9
165.12848	2.4
167.10802	0.6
169.12347	4.5
171.10242	4.0
179.03493	1.5
179.05597	1.7
181.12321	1.5
183.13948	0.8
186.64156	0.5
189.83495	0.5
193.12222	0.6
197.11829	51.5
198.12195	1.6
199.13412	2.5
209.11829	1.5
211.13380	7.8
223.13210	0.6
225.14990	1.6
227.12878	3.6
247.20651	3.1
253.09280	45.9
254.09602	1.3
263.20026	2.8
265.18057	2.2
273.18509	1.4
291.19662	33.9
292.19986	2.2
309.20718	100.0
310.20944	6.1
320.69504	0.6
545.29932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.5
59.01382	26.6
61.98828	3.4
71.01382	14.8
71.36126	2.0
73.02955	2.8
83.05028	2.2
85.02961	2.6
87.00867	4.7
89.02456	8.3
96.95977	2.5
99.00883	3.1
101.02431	11.9
111.08158	11.0
112.98800	3.4
113.02463	5.1
119.03545	2.8
122.41936	1.9
135.04536	4.6
148.59605	2.0
152.99707	2.0
161.04515	4.5
171.10216	3.9
195.13942	6.5
197.11914	2.1
246.88042	2.2
253.09312	18.8
275.20242	4.8
291.19653	100.0
292.20050	7.1
309.20593	6.6
366.81406	2.5
449.09970	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	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
57.03448	3.2
57.90861	1.2
58.00582	2.8
59.01380	62.4
60.01726	1.8
61.98825	12.5
69.03458	1.8
70.37370	1.1
71.01382	22.1
71.04994	1.3
71.22864	2.5
72.99297	2.9
73.02967	6.5
83.01392	3.0
83.05061	1.2
85.02970	7.3
87.00880	6.9
89.02441	18.2
93.03473	2.4
97.02958	3.9
97.06602	2.5
99.00883	6.1
99.04566	1.3
101.02443	17.6
103.00364	1.7
109.06582	1.9
111.00910	1.2
111.08160	8.7
112.98814	8.8
113.02445	8.8
119.03491	4.2
119.05048	6.7
121.03044	1.7
121.10185	2.3
125.02469	1.6
125.09682	2.5
128.90158	1.7
130.99826	1.1
131.03572	1.5
133.02934	1.8
134.03748	1.3
135.04532	8.6
136.04884	1.0
137.02449	2.7
137.09682	1.6
143.03493	3.3
144.66100	0.9
145.02933	1.2
146.82845	1.0
147.04504	1.7
149.00891	3.0
149.02403	1.8
149.04558	2.9
149.06027	0.9
150.03302	1.2
151.00356	1.5
153.09196	1.2
153.12880	1.9
161.02498	1.7
161.04579	9.4
163.04036	4.9
167.10719	1.2
169.12349	4.0
171.10304	6.2
178.02615	1.3
179.03506	4.0
179.05579	1.9
181.12428	2.0
183.13919	2.4
185.11896	1.6
195.13725	1.7
197.11839	44.6
198.12184	1.1
199.13429	3.9
203.03561	2.8
203.05438	2.1
207.14001	1.2
209.11807	1.7
211.13402	20.6
212.13785	1.2
219.02838	1.3
221.15500	1.6
223.13284	1.7
223.17035	4.9
227.12837	1.7
227.58449	1.2
233.15483	2.8
251.16531	13.2
253.09294	48.0
254.09630	1.4
263.20108	3.8
265.18094	1.9
273.18588	2.9
277.03583	2.6
285.03906	1.3
291.19669	41.5
292.19937	2.9
303.83191	1.1
309.20706	100.0
310.21051	7.2
338.75339	1.0
341.26913	1.3
448.10306	1.4
485.18420	1.7
485.31284	6.4
503.32251	3.2
527.28473	1.6
545.25275	2.2
545.33899	6.1
558.10114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33489	0.5
55.01876	2.2
57.03448	5.1
58.00591	1.3
59.01381	100.0
60.01717	0.7
61.98838	4.5
64.51267	0.5
69.03439	1.3
69.76384	1.1
69.76793	2.3
70.23517	0.5
71.01385	35.6
71.05009	0.6
72.99320	2.2
73.02945	18.1
73.03340	1.1
75.00877	0.6
79.24057	0.4
81.03459	0.7
83.01387	4.5
83.05045	0.7
84.39069	0.5
85.02953	15.3
87.00881	5.2
88.98817	1.9
89.02446	18.0
89.02998	1.1
93.03464	1.5
95.01373	3.5
95.05034	1.2
97.02972	1.7
97.06586	1.1
98.20597	1.1
99.00880	16.7
99.04533	0.9
99.08185	0.5
101.01771	1.2
101.02447	25.1
103.00394	0.9
107.05013	0.8
108.02162	0.9
109.02986	0.9
109.06575	1.1
111.00869	1.7
111.04504	0.9
112.01686	1.0
112.98837	3.6
113.01678	1.2
113.02452	18.3
113.06078	0.7
114.02845	0.8
117.03481	1.5
119.03498	2.6
119.05022	5.2
121.02959	1.2
121.06624	0.6
123.04571	0.8
123.08177	1.6
125.02434	3.1
125.09720	1.5
127.04001	0.6
127.07661	1.8
129.01950	0.6
130.99835	0.7
131.03520	2.1
133.03020	0.5
133.06593	2.9
135.04521	2.4
136.05334	2.5
137.02495	1.8
137.09731	1.7
139.07660	0.5
141.05547	1.0
143.03516	3.3
145.02966	0.6
149.00929	0.9
149.04550	6.3
149.06029	0.8
151.07664	11.1
152.01173	1.6
155.03537	0.6
159.03003	2.2
159.04524	1.5
161.02498	0.9
161.04570	10.1
162.04945	0.6
163.04008	4.7
169.08707	1.0
175.03926	0.7
177.05585	1.5
179.03528	2.2
179.05522	0.5
191.03670	1.3
191.05624	4.5
203.03506	3.3
203.05647	2.4
209.15465	7.7
221.04581	0.8
233.06583	0.9
305.17520	2.3
353.19662	5.7
362.73788	0.5
371.20728	14.2
372.21014	1.2
413.21634	6.5
414.22302	0.7
457.35318	1.6
483.33383	6.0
484.33713	0.7
485.23853	3.6
501.34390	10.1
502.34601	0.9
503.24960	42.2
504.25244	3.8
545.25989	61.4
545.32739	2.8
546.26416	7.5
546.33722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26223	0.4
55.01876	1.7
57.03450	5.3
58.00593	1.5
59.01378	100.0
60.01712	0.9
61.98830	1.1
69.03467	1.8
69.31145	3.0
69.31564	0.9
71.01381	49.1
71.56799	0.3
72.01735	0.4
72.99306	2.5
73.02947	27.9
75.00858	0.9
80.96542	0.4
81.03470	1.1
83.01397	4.7
83.05030	1.2
85.02953	16.3
87.00881	3.1
89.02444	40.9
90.02764	0.5
93.03480	0.4
95.01395	4.5
97.02951	2.3
99.00880	76.2
100.01237	1.5
101.02440	23.5
109.02982	0.5
111.00899	0.7
111.04585	0.4
112.01704	0.6
112.98813	1.2
113.02448	28.4
114.02749	0.4
119.03496	4.6
119.05042	0.5
123.08167	0.6
125.02453	4.8
130.99847	0.5
131.03502	13.2
135.04556	0.8
137.02478	0.5
143.03514	5.0
145.02914	0.4
147.04617	0.4
149.04552	44.2
150.04922	0.7
151.07579	0.9
152.01082	0.5
155.03511	2.6
159.03001	1.2
161.02505	0.6
161.04558	14.1
163.04057	0.5
173.68857	0.5
179.03433	0.4
179.05617	2.0
191.05605	39.3
192.05948	1.0
203.03522	1.2
203.05589	17.9
204.05901	0.7
209.15456	1.7
233.06671	8.3
266.62445	0.4
293.08789	1.8
299.37161	0.4
335.09790	2.1
353.11383	0.4
353.19559	0.5
371.20993	1.8
413.21777	1.5
485.23959	0.6
501.34293	0.5
503.24969	18.5
504.25259	2.3
545.26013	34.3
546.26190	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	545.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
57.03440	2.1
58.00581	0.9
59.01384	28.9
60.01691	0.4
61.98826	3.3
66.84116	0.5
71.01382	15.0
72.99308	2.7
73.02957	6.0
75.00871	0.5
83.01378	2.8
83.04994	0.5
84.99324	0.6
85.02949	8.4
87.00877	17.9
89.02443	5.2
93.03464	1.3
95.01380	1.4
96.53301	0.4
99.00870	4.1
99.04514	1.5
101.02448	9.9
103.00388	4.1
109.02954	0.8
111.04565	0.8
112.98818	6.0
113.02444	7.1
113.06094	0.5
117.03468	0.8
119.03477	1.9
119.05025	3.8
125.02457	1.0
129.01935	1.0
130.99849	2.2
131.03511	0.5
133.02937	0.7
133.06631	0.5
134.03720	1.3
135.04543	4.5
137.02409	1.4
143.03383	0.5
145.02933	1.8
149.00908	1.4
149.04544	1.6
149.06093	0.9
153.02034	0.5
159.04503	0.5
161.02449	1.3
161.04559	1.5
163.04050	2.3
171.10320	0.8
177.01808	0.6
179.03534	1.7
183.13873	0.5
191.05716	1.0
203.03491	0.5
203.05623	0.6
223.13376	0.7
228.52872	0.5
233.15457	0.6
235.17076	6.7
236.17476	0.5
251.16548	3.7
258.25964	0.4
277.03571	0.9
386.35416	0.5
411.97452	0.5
413.21796	100.0
414.22131	8.6
431.17197	0.6
438.33633	0.5
497.04578	0.6
503.24734	1.3
544.32355	0.8
545.22198	4.8
545.33282	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	545.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04227	0.4
52.05936	0.4
57.03447	1.7
59.01382	4.5
61.12049	0.4
61.98830	2.8
63.96248	0.6
69.03460	0.5
71.01383	8.0
72.99299	1.0
73.02954	2.0
77.88499	0.5
78.37171	0.4
78.98591	4.1
79.95730	7.5
80.96517	52.7
81.03456	0.8
83.01400	1.1
85.02943	3.4
85.24637	0.6
87.00889	3.0
89.02450	1.5
94.98087	11.8
95.01377	0.6
96.96025	1.9
97.02943	1.5
98.20644	0.8
99.00883	1.2
101.02435	4.4
106.98090	2.7
111.00858	0.6
112.98851	0.7
113.02425	0.9
116.92833	0.6
119.05041	1.1
120.01258	2.0
121.02962	1.7
122.97598	4.3
125.02454	4.4
127.03992	1.2
134.03751	0.8
134.97565	2.9
135.04533	2.5
136.99112	1.3
148.99146	4.8
149.00960	1.3
149.02434	0.7
151.03929	0.6
152.01088	0.6
152.98643	6.2
158.13489	0.5
161.02435	1.0
163.04024	0.8
164.98642	9.8
175.04016	0.8
179.03534	1.7
179.05618	1.1
179.07083	4.9
182.99710	2.4
201.11324	2.1
204.04161	0.7
206.99646	3.1
209.11800	1.2
225.00743	19.3
243.01785	2.2
249.07726	1.1
249.51474	0.5
299.04288	2.9
501.16504	10.0
502.16855	1.5
527.17712	2.9
533.78052	0.5
545.19110	100.0
546.19495	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	545.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03982	0.9
55.01881	1.2
57.03456	2.1
58.00589	1.1
59.01382	37.7
59.73361	0.8
61.98829	6.9
69.03452	1.2
71.01382	19.1
71.05033	1.5
72.99310	4.3
73.02945	7.1
75.00886	0.8
78.14902	0.8
83.01395	3.5
85.02953	10.0
87.00877	19.9
88.01218	0.9
88.82005	0.9
89.02447	6.8
90.71965	0.9
93.03442	1.5
95.01384	2.1
95.05079	0.8
96.39001	0.9
99.00879	7.0
99.04535	2.0
101.02448	12.3
103.00392	4.9
108.02199	0.9
109.02970	1.9
112.98815	10.5
113.02451	9.5
119.03477	1.6
119.05010	5.1
123.04574	1.0
123.08215	1.0
125.02482	1.3
129.01976	1.6
130.99861	2.5
131.03535	1.2
133.02965	1.4
134.03757	1.5
135.04524	7.8
137.02441	1.9
139.07480	0.9
143.03523	1.2
145.02969	2.1
149.00893	2.9
149.04558	2.6
151.03981	1.2
154.40529	0.8
161.02454	2.5
161.04544	2.6
163.04010	4.2
179.03493	3.4
191.05605	1.5
203.03542	1.3
219.03014	1.1
223.13324	1.0
226.89943	0.9
230.14333	1.4
233.76918	0.9
235.17003	6.6
251.16536	2.9
274.05859	0.8
413.21796	100.0
414.22028	8.0
431.17285	1.2
473.27206	0.9
486.26227	1.0
503.24631	1.3
545.22546	4.0
545.33527	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	545.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
61.98820	3.6
64.74760	1.2
69.62663	2.8
69.63084	5.5
71.01379	4.4
72.28315	1.3
78.95902	100.0
94.99017	1.5
99.92578	30.1
110.98534	16.0
115.92086	16.0
116.92845	18.5
117.11764	1.4
151.01613	2.9
155.95226	1.3
164.99544	6.6
167.01126	15.1
178.88435	13.5
179.89218	31.6
180.90033	21.7
181.90793	3.7
189.85321	1.5
193.90768	42.3
194.87773	1.7
194.91566	22.8
195.92104	1.2
196.89481	97.8
197.89499	3.8
203.05396	1.4
210.91087	9.4
235.91817	1.9
236.92633	2.2
248.92606	2.9
249.93463	3.6
250.94182	8.2
252.92056	4.1
266.93689	6.6
267.94373	4.6
273.29630	1.4
277.21713	3.2
410.08920	1.4
497.13730	2.1
527.15161	24.6
528.15326	2.6
541.12933	8.3
545.16144	62.8
546.16370	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	543.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
55.18988	1.0
55.98798	1.1
57.03449	5.6
58.00584	2.2
59.01379	71.2
59.34243	1.1
60.01724	1.4
61.98830	2.9
69.33371	7.4
69.33782	2.2
71.01386	26.9
71.05029	1.3
72.99299	2.3
73.02949	14.8
75.00918	1.0
79.24122	1.2
83.01382	4.2
83.05025	24.0
85.02958	9.5
87.00867	9.7
87.04527	1.5
88.98818	1.3
89.02446	9.0
95.01415	2.2
97.02958	2.4
97.06602	4.3
98.20621	2.6
99.00884	3.1
99.04523	4.5
99.08133	1.5
101.02437	16.2
101.06097	2.1
103.00359	1.8
108.02161	1.1
109.02955	2.3
109.06579	3.4
111.04526	31.9
111.05300	1.9
112.01678	1.3
112.98792	6.1
113.02441	12.5
113.09653	1.2
119.03530	3.2
119.05029	3.0
121.06592	1.4
123.04524	1.3
123.08162	1.9
125.02438	4.2
125.06104	7.1
126.03321	1.6
127.03992	12.0
127.07642	4.2
130.99846	2.1
131.03528	1.8
133.02930	2.3
135.04523	8.0
135.08154	1.2
141.09221	14.9
143.03513	2.7
145.02942	1.8
149.00929	3.4
149.04552	1.2
150.03180	1.2
152.04747	3.7
153.12854	1.4
155.10895	1.4
161.02467	2.8
161.04543	5.6
163.04045	2.7
167.10899	1.1
169.12236	1.1
179.03435	5.8
179.05573	2.4
187.13271	1.3
219.02957	1.4
245.19073	1.6
253.09262	6.2
289.18054	24.5
290.18472	1.9
293.02859	1.4
307.19101	3.3
311.25986	2.0
339.25299	2.6
369.26987	1.4
387.27490	4.0
411.14206	1.9
415.26859	7.0
423.30875	1.5
437.32498	1.4
455.33936	22.5
456.34381	2.4
481.31781	7.8
483.29520	2.6
499.32666	8.7
501.23566	2.0
501.30609	2.7
508.26428	1.3
543.31720	100.0
544.31873	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	543.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
56.93639	0.4
57.03444	1.2
58.00579	0.5
59.01381	18.3
61.98832	3.0
63.52742	0.4
63.95950	0.4
63.96286	0.5
65.61627	0.4
66.46003	0.4
69.03468	0.5
69.34573	3.5
69.34980	0.7
71.01383	11.9
72.99315	2.1
73.02950	2.0
75.00871	0.4
76.93192	0.4
78.95922	0.5
79.95731	0.6
80.96514	3.2
83.01373	2.1
83.05035	0.6
83.11618	0.5
85.02939	4.0
87.00890	3.4
89.02450	9.0
93.03472	0.5
94.98069	0.8
95.01379	1.2
96.96006	0.5
97.02946	1.5
98.20657	0.8
99.00862	0.7
99.04509	0.9
100.13877	0.5
101.02446	8.6
108.02162	3.6
109.02958	1.6
112.98798	0.6
113.02470	5.2
115.00339	0.5
116.92895	0.8
119.03557	2.8
119.05030	8.2
123.04591	0.5
128.03543	0.6
129.36662	0.4
134.04689	0.6
135.04503	2.3
137.09702	1.0
140.07129	0.5
141.01909	1.5
141.68564	0.4
143.03514	0.5
145.02925	1.3
147.04494	0.5
147.08154	0.6
149.00912	2.6
150.03177	0.7
151.03995	1.0
152.01146	7.1
153.01836	0.8
160.04073	0.4
161.02411	0.5
161.04491	0.8
163.04010	8.7
166.05161	0.7
172.05244	0.5
173.06078	0.8
175.03949	0.6
179.03490	1.1
189.05650	0.5
203.03453	0.5
204.04269	0.5
205.05037	1.2
208.14386	0.4
225.00687	1.0
233.04616	0.7
249.07788	0.5
257.15582	0.5
257.19016	0.6
273.18686	1.7
275.20123	0.6
301.18256	0.7
319.19116	16.6
319.22867	0.8
320.19461	1.1
331.11938	0.8
337.20203	6.7
338.20380	0.9
345.16992	0.9
363.17938	2.4
381.10986	1.0
399.09274	1.3
411.13016	2.6
417.10477	1.6
457.29691	0.5
499.14618	0.5
499.25293	4.5
543.16589	5.6
543.24487	100.0
544.16711	0.8
544.24799	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	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.2
57.03446	6.4
58.00589	1.2
59.01380	52.1
61.98830	5.3
67.49275	0.9
69.03461	1.3
69.58516	2.1
69.58922	4.0
71.01379	12.6
71.05022	4.3
72.99309	3.9
73.02947	15.8
79.02563	0.9
81.03467	1.0
83.01392	2.4
83.05027	31.8
85.02952	7.2
85.06591	2.7
87.00878	12.0
87.04524	2.3
89.02454	6.2
95.01372	1.1
97.02943	1.9
97.06590	6.0
98.20545	1.8
99.00887	3.4
99.04522	5.7
101.02457	7.0
101.06080	6.5
103.00396	2.2
107.05035	2.4
109.02949	2.1
109.06573	1.7
111.04522	42.1
111.08228	1.0
112.04871	1.2
112.98811	7.7
113.02454	7.2
113.09740	2.1
119.03566	2.1
119.04982	3.0
119.08672	0.9
121.02948	1.1
121.06607	2.6
123.08170	2.3
125.02450	3.1
125.06138	5.8
125.09724	1.7
126.03239	1.8
127.04022	19.3
127.07650	5.4
129.09271	1.0
130.33055	0.8
133.02928	2.4
135.04538	12.1
135.11829	1.7
137.02423	1.9
137.09682	1.0
138.06847	1.1
141.09222	57.4
142.09528	1.3
143.03461	1.6
143.95605	0.9
145.02997	1.0
145.41615	0.9
149.00941	1.7
149.04543	1.7
149.05997	1.1
151.07617	1.4
152.01088	1.4
152.04823	4.4
155.10770	1.1
157.12344	2.2
161.02444	4.0
161.04579	2.2
163.04007	2.1
163.11195	1.0
167.07138	1.8
171.10164	0.9
179.03513	10.1
179.05037	1.5
185.11743	1.3
219.02963	1.9
233.19009	1.2
253.09309	1.5
253.21712	1.4
263.20282	2.2
283.22769	1.7
289.18069	1.9
293.03000	3.5
307.19101	1.9
313.23904	2.7
327.21646	1.5
347.64392	1.1
353.75436	0.9
365.27124	3.4
369.26575	8.0
387.27527	6.3
395.28030	3.2
411.14099	1.4
415.26926	9.5
416.27515	1.3
421.25571	1.1
437.32565	2.9
455.33865	27.9
456.34076	3.0
481.31714	12.5
483.29489	2.6
499.32635	18.6
500.33084	1.4
501.23315	3.1
501.30600	2.3
525.26428	1.4
543.31738	100.0
544.32208	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	543.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08857	0.2
57.03455	0.2
59.01377	2.6
59.34062	0.2
59.59375	0.2
61.98836	1.0
69.03459	0.9
70.05799	1.0
71.01392	1.2
72.99317	0.4
73.02957	0.5
73.67638	0.2
75.00854	0.2
80.96523	0.6
81.03470	0.4
83.01384	1.4
87.00896	0.8
89.02454	0.6
93.03493	0.5
96.96014	1.4
97.02942	1.1
99.00897	1.4
99.04514	0.2
101.02468	0.8
103.00374	0.2
105.03482	0.3
107.05027	0.4
108.02188	0.6
109.02959	11.0
111.00893	1.2
112.98785	0.3
113.02440	0.5
119.05026	1.9
121.02969	0.8
121.06611	0.5
122.03758	0.4
123.04549	0.8
124.01635	0.4
125.02460	3.8
129.01901	0.3
131.05070	0.3
132.02219	0.2
133.02959	4.1
133.06577	0.7
134.04709	0.2
135.04518	9.5
136.04889	0.4
137.02469	1.5
137.06020	0.3
139.04030	0.4
141.01999	0.3
143.05009	0.6
145.02962	1.9
145.06586	0.7
146.03745	1.9
147.04527	13.0
148.05322	7.6
148.06447	0.2
149.00931	0.7
149.02464	0.7
149.06081	26.9
150.03267	0.7
150.06418	1.0
151.04028	0.7
152.01190	0.5
157.06699	0.2
159.03139	0.4
159.04501	4.1
160.05307	1.2
161.02448	4.8
161.06081	12.0
162.03242	1.2
162.06496	0.6
163.04010	5.0
163.07631	1.9
165.01903	0.2
165.05554	1.5
167.03519	0.4
171.04581	0.4
172.05334	1.1
173.02446	0.9
173.06075	4.7
174.03197	3.3
175.04005	15.5
175.07578	0.8
176.04779	4.3
177.01909	3.3
177.05540	2.9
179.03500	1.2
185.04559	2.3
185.06113	0.8
187.03960	1.6
187.07655	0.5
188.04808	1.4
189.05568	27.7
190.05974	1.4
191.03500	2.9
191.07124	11.0
192.07460	0.3
193.05063	2.7
200.04759	0.4
201.05591	0.2
202.02695	0.8
203.03542	0.8
203.07150	4.3
204.04286	0.4
205.05057	5.5
205.08496	0.2
207.06621	1.0
209.04518	0.2
215.03510	0.5
215.07118	0.9
216.04416	0.3
217.05046	25.4
218.05391	1.3
219.02983	8.3
219.06381	0.3
220.03336	0.4
221.04546	5.7
222.04858	0.3
225.00728	0.2
229.03528	0.6
231.06581	0.4
233.04491	0.2
233.08211	0.3
235.06107	13.1
236.06512	0.7
237.04027	10.7
238.04430	0.5
247.06128	0.9
247.10904	0.2
249.04068	0.8
251.09282	1.8
255.05049	0.6
259.06119	0.7
277.07214	3.6
278.07660	0.3
279.05099	11.0
280.05365	0.4
295.08224	15.8
296.08505	1.1
321.06171	0.4
331.11761	0.3
339.07187	100.0
340.07507	6.6
381.08170	1.2
421.11353	0.3
423.09302	0.7
441.10309	0.9
483.11530	1.0
499.14322	0.4
501.13065	0.2
543.12994	4.8
544.14032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01726	0.9
61.98827	1.2
73.95005	0.5
75.57747	0.6
78.95903	1.3
80.96559	0.7
96.96006	0.7
161.70865	0.6
193.90924	0.7
255.23454	1.0
277.21802	2.9
483.27338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23518	0.2
58.20841	0.2
59.01378	3.0
59.20696	0.2
60.90580	0.2
61.98832	2.8
65.99863	0.2
69.34366	0.4
69.34758	1.8
70.62485	0.2
71.01405	1.1
72.99320	0.6
73.02934	0.3
80.96516	0.2
83.01377	0.5
85.02957	0.4
87.00875	1.0
88.00011	0.2
89.02448	0.7
93.03484	0.3
101.02441	0.4
103.00391	0.3
108.02177	1.7
109.02966	0.6
110.04046	0.2
112.98808	0.6
113.02453	0.5
116.05058	4.5
117.03429	0.2
119.03529	0.2
119.05030	0.4
121.02948	0.3
123.04549	0.4
125.02460	0.3
132.02171	0.8
132.04587	0.2
133.02965	0.3
134.03700	1.1
135.04541	1.1
137.02441	0.4
143.07106	0.3
145.02950	0.2
149.00912	0.9
149.06047	0.2
152.01146	2.6
153.02003	0.3
159.03242	1.1
160.04037	100.0
161.02423	0.4
161.04396	3.8
163.03964	0.4
167.03548	0.3
174.02000	0.6
175.04025	2.0
179.03516	0.7
189.05586	0.2
193.05078	0.7
200.03464	0.3
204.02998	4.6
212.03465	0.3
218.04628	1.5
219.03099	0.3
223.06461	0.2
234.05438	0.2
251.05943	0.2
262.05176	0.8
278.04669	0.2
279.05392	0.6
291.13803	0.2
292.06097	0.3
294.07748	4.1
295.08014	0.5
320.05667	0.4
321.06482	0.3
322.09494	0.4
323.07602	0.6
336.08765	3.3
337.09286	1.9
338.09863	0.2
366.08270	16.4
367.08624	1.0
399.09396	0.4
542.12976	10.4
543.17859	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	541.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.3
61.98832	100.0
66.13209	0.7
66.92847	0.7
71.61418	1.3
78.95916	3.0
99.55496	0.7
119.90856	0.8
128.07205	0.7
179.89212	1.0
193.90810	3.1
196.89464	1.2
277.21695	1.3
478.31775	1.5
505.16074	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	541.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36715	0.4
57.03447	0.5
59.01380	5.0
60.99309	15.4
61.98817	1.2
62.98557	0.4
63.97641	0.4
65.67329	0.4
67.01881	0.6
71.01390	2.4
73.02959	0.6
80.96523	1.0
85.02970	0.9
87.00875	2.6
88.00416	0.5
88.98807	100.0
89.02448	4.8
89.99152	0.5
96.96003	1.3
99.04514	0.5
101.02419	1.4
101.26347	0.4
109.02922	0.6
112.98841	0.9
119.05035	1.7
131.03510	1.0
135.04518	2.1
145.02953	0.8
149.00897	1.8
149.04535	1.7
150.03151	0.5
153.01921	0.5
161.04659	0.6
163.03990	0.9
175.03864	0.5
179.03517	1.1
210.65793	0.4
229.63637	0.6
243.21176	0.5
247.09612	0.5
299.05533	1.3
304.50537	0.5
318.17810	0.5
541.15973	1.5
541.26117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3011
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01875	1.7
57.03455	6.9
59.01383	84.6
61.98848	1.0
63.25620	0.6
65.15314	0.5
66.66264	0.6
69.03459	1.6
69.61958	0.5
69.62293	4.2
71.01386	22.7
72.99327	2.8
73.02950	9.2
75.00857	0.6
83.01389	5.0
83.05049	2.0
85.02956	15.1
86.00113	0.6
87.00883	6.1
89.02441	7.7
95.01389	2.0
97.02908	0.7
97.06649	0.6
98.19866	1.0
99.00891	2.8
99.04521	1.3
99.07382	0.6
100.95039	0.6
101.01771	1.1
101.02447	19.7
107.09398	0.5
111.00897	1.0
111.04536	2.4
112.98828	2.5
113.02453	10.4
119.03526	2.5
119.05025	0.8
121.02969	0.8
123.00943	0.8
125.02438	1.9
127.03981	0.9
131.03461	0.8
133.02954	1.7
134.03754	1.3
135.04549	3.5
135.08148	1.3
141.09190	1.5
143.03526	1.6
149.00906	1.9
153.01903	0.9
159.03084	1.3
161.00249	0.5
161.02454	0.9
161.04539	5.7
178.02646	1.0
179.03473	2.3
211.13298	0.8
247.09676	1.4
247.20674	11.3
248.10136	0.8
248.20987	0.9
249.10420	0.5
287.16415	1.1
291.19452	0.6
293.02945	0.6
293.24973	4.6
305.17499	1.6
310.22986	0.7
319.22879	0.8
337.23859	20.3
337.27878	1.3
338.24130	2.0
345.17181	1.1
346.17297	0.9
347.17691	2.2
354.87155	0.7
379.24899	0.8
389.16382	0.8
391.16574	1.6
397.53186	0.7
429.75732	0.7
437.29480	0.7
453.32202	2.2
455.30200	5.2
463.26758	0.7
481.28101	8.9
482.28513	1.1
497.31192	1.6
499.29071	5.2
523.25397	0.7
541.30219	100.0
542.30499	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	541.3021
Annotation	Simplexin F
Peak:m/z	Relative Intensity
55.01871	1.7
55.98132	0.6
57.03455	3.0
58.00602	1.1
58.79991	0.5
59.01381	38.7
60.01719	0.8
61.98823	2.5
69.03453	1.2
71.01386	13.1
71.05013	2.1
72.73904	0.6
72.99304	1.6
73.02940	6.4
81.06638	0.5
83.01389	3.2
83.05027	9.9
85.02953	9.2
85.06607	0.8
86.00063	1.0
87.00881	4.2
89.02452	3.0
89.29201	0.5
95.01399	1.7
97.02972	0.8
97.06583	2.5
99.00870	2.8
99.04523	2.3
99.08150	0.7
101.02444	10.9
101.06078	1.9
107.05027	0.7
109.02972	0.8
109.06561	0.7
111.00869	1.3
111.04509	12.4
112.01616	0.8
112.98803	1.5
113.02460	5.0
119.03517	1.1
119.05030	0.9
123.08171	1.4
125.02453	1.5
125.06055	2.8
127.04020	6.6
127.07671	2.2
130.99825	0.7
133.02966	0.7
135.04510	1.7
136.04149	0.6
136.40553	0.7
138.03276	0.8
138.06790	0.6
141.09183	1.3
143.03502	0.8
149.00946	0.8
152.04817	1.3
160.10222	0.6
161.04594	1.6
165.09180	0.9
167.10741	1.0
171.10162	0.6
177.09294	0.8
179.03381	1.7
179.82185	0.6
248.10362	0.6
249.15036	0.8
253.09253	0.7
275.20303	0.7
287.16516	3.0
290.18204	0.6
293.24899	1.2
305.17596	4.2
327.21786	0.8
335.25961	0.8
337.23862	2.0
345.16763	0.7
355.25034	1.5
383.24304	0.8
395.28006	1.7
413.25488	3.2
421.25815	0.8
423.31198	5.4
424.31116	0.8
449.29297	2.0
481.27963	12.3
482.28149	0.8
497.31174	2.7
499.29111	7.3
500.29565	1.2
511.28894	1.6
541.30170	100.0
542.30658	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	541.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.10396	13.2
60.35831	14.6
61.98829	32.5
70.05713	75.0
71.01380	49.1
73.02937	19.3
85.27216	14.0
89.02427	20.0
96.95973	15.7
98.20572	19.8
101.02410	25.0
112.98802	19.7
135.04510	21.4
293.21039	20.8
455.26495	20.4
497.27423	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.10396	13.2
60.35831	14.6
61.98829	32.5
70.05713	75.0
71.01380	49.1
73.02937	19.3
85.27216	14.0
89.02427	20.0
96.95973	15.7
98.20572	19.8
101.02410	25.0
112.98802	19.7
135.04510	21.4
293.21039	20.8
455.26495	20.4
497.27423	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62333	0.4
61.98835	1.2
63.84458	0.3
69.42386	3.4
76.85565	0.4
94.50550	0.4
94.81850	0.3
98.19836	0.8
99.92573	3.1
100.92729	0.5
100.93333	1.9
108.68971	0.4
115.92077	100.0
116.92091	4.1
116.92874	1.8
117.92459	0.6
132.92365	1.1
141.16708	0.4
152.08821	0.4
154.08147	0.4
154.94995	0.4
167.02982	0.4
176.54312	0.4
180.72203	0.4
277.21558	0.5
468.54593	0.4
541.17365	0.6
541.29913	15.4
541.36707	0.7
542.29974	3.0
543.56464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94319	0.3
57.33482	0.3
59.01383	1.7
59.08203	0.4
59.44614	0.3
61.98819	1.3
69.47338	2.4
71.01388	1.5
73.02944	0.5
80.96507	0.6
83.01396	0.3
85.02956	0.4
87.00870	0.8
88.98827	0.5
89.02439	1.6
99.00919	0.4
101.02435	1.1
103.00349	0.3
108.02200	0.4
111.00903	0.3
112.98875	0.5
119.04972	0.3
134.04770	0.5
135.04518	1.0
139.59579	0.3
147.79849	0.3
149.00908	0.9
149.04584	0.6
152.01176	0.3
153.01973	0.4
156.79066	0.3
161.02490	0.5
161.04475	0.4
166.05106	0.4
167.04984	2.3
177.05508	0.3
179.03445	0.5
183.04514	2.1
187.03964	1.0
195.04529	0.9
199.03912	0.5
201.23721	0.3
210.03262	0.3
211.03990	24.1
212.04681	2.4
213.01889	0.8
215.03436	0.9
222.08145	0.3
225.05206	0.3
227.03508	2.0
239.03441	3.1
240.04190	0.4
241.01382	0.6
255.02988	10.1
256.03519	1.0
283.02469	14.5
284.03156	3.0
285.03613	0.5
298.04810	13.4
299.05521	3.4
341.06665	0.3
374.09985	4.7
375.10052	0.4
418.08932	2.1
446.08533	15.2
447.08929	1.0
461.10873	100.0
462.11203	9.3
481.23145	0.4
541.06616	6.4
541.15466	1.0
541.22156	1.1
542.06866	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	73.6
59.65666	0.9
61.98831	100.0
66.89790	0.8
71.01402	7.5
73.02949	1.8
80.96517	4.1
83.01389	1.2
85.02927	1.4
87.00874	3.5
87.04542	0.9
89.02448	3.3
92.35178	1.0
101.02440	4.3
109.02968	1.3
112.98828	2.1
113.02435	3.6
133.05136	1.4
135.04521	2.7
137.02425	1.8
145.02956	5.2
148.02914	1.0
149.00877	3.6
161.04492	2.1
165.05449	1.3
166.31660	0.9
179.03493	1.7
225.00734	1.6
262.10760	2.3
263.66782	0.9
272.08826	1.3
302.14777	1.3
328.16138	2.1
345.16992	1.6
346.17276	2.1
373.22192	5.6
390.16263	1.2
391.23260	3.9
408.17371	1.5
408.26608	1.4
433.24353	14.3
437.85196	1.1
502.11008	1.1
540.20557	1.1
540.34601	4.1
541.15771	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	541.0659
Annotation	Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside)
Peak:m/z	Relative Intensity
52.66402	0.6
56.83653	0.6
57.03432	0.9
59.01378	4.8
61.98838	3.0
66.32568	0.6
67.77074	0.6
69.64883	2.5
69.65301	1.3
72.99281	1.3
74.87896	0.7
75.00871	0.5
87.00842	1.6
89.02420	1.3
96.96034	3.8
99.00867	0.6
101.02426	1.4
103.00343	0.8
108.02155	1.6
109.02939	1.7
110.02496	0.6
113.02477	0.9
114.58918	0.6
117.58632	0.6
133.02908	0.8
134.03615	0.6
135.04521	2.9
145.02942	1.3
149.00909	1.9
151.00304	1.2
152.01105	2.0
152.35258	0.7
153.01915	0.7
159.03236	1.3
160.01677	1.4
160.04048	9.1
161.02405	1.5
165.05614	0.9
175.03976	2.5
177.38493	0.6
179.03410	1.2
182.70081	0.6
193.04993	0.7
195.04431	0.8
210.03151	1.6
211.04015	0.8
212.04808	5.8
213.05157	0.7
215.03394	0.9
227.03300	1.2
238.02734	1.2
239.03618	0.8
240.04205	3.2
241.00323	0.9
255.02962	2.3
256.03745	3.0
266.02084	0.8
267.02695	0.8
281.04529	2.5
283.02441	8.1
284.03262	100.0
285.03717	6.4
299.05603	34.6
299.09036	1.2
300.05966	1.9
337.09265	1.3
371.86948	0.7
446.08411	0.8
461.10904	62.3
462.11230	5.9
465.17215	0.8
540.34753	1.4
541.06720	19.7
541.15625	2.2
541.23346	2.8
542.06683	1.7
542.13867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23660	0.4
54.65510	0.4
55.00029	0.4
58.00577	0.6
59.01378	1.0
59.73098	0.4
61.98831	5.8
71.01382	2.0
71.59970	0.5
72.00912	12.1
73.02947	0.7
78.95905	22.7
85.02970	0.5
87.00871	2.1
89.02435	0.7
90.84269	0.4
91.05501	0.4
96.96002	1.4
96.96962	2.8
101.02444	1.5
103.00384	0.5
113.02439	1.0
114.05612	0.8
116.92879	0.5
119.05030	0.6
121.02943	1.6
122.03723	0.5
123.04536	0.5
125.46011	0.4
126.69882	0.4
134.04715	5.7
135.04474	1.4
145.02969	0.9
146.03778	0.6
147.04520	40.1
148.04863	1.4
149.01083	0.6
149.02434	9.2
149.06035	1.2
150.03220	17.6
151.03845	0.7
153.01866	0.5
156.06705	0.6
158.92537	6.2
161.02423	0.9
161.04581	2.2
162.03204	1.2
164.04829	5.6
164.07158	100.0
165.05565	37.8
165.07526	2.6
165.99403	0.4
166.05890	1.3
174.98103	0.6
177.05531	1.1
180.04245	1.3
192.99072	0.5
195.06618	17.2
196.06989	1.2
198.07788	0.7
211.00070	0.5
272.69092	0.4
272.95694	3.8
301.15674	0.5
315.07211	0.6
325.31351	0.4
327.06976	0.8
327.10831	12.7
327.14575	0.8
328.04431	2.9
328.11264	0.9
329.04440	0.4
346.05597	1.3
357.11963	0.9
370.57861	0.4
408.01120	2.1
408.13834	1.4
426.02274	2.4
470.69046	0.5
492.26218	0.5
540.05396	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	540.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74563	0.7
57.03434	1.0
58.00594	0.8
59.01382	16.4
59.35632	0.6
61.98829	51.7
71.01372	7.7
71.62256	1.3
72.99303	3.2
73.02948	1.6
78.95909	1.3
83.01411	0.8
85.02950	2.2
87.00876	7.7
89.02443	4.2
90.64993	0.7
93.03461	1.4
95.01436	0.9
99.00913	0.9
101.02438	3.6
103.00368	2.4
108.02163	1.3
108.12493	0.7
109.02943	2.5
110.06001	0.7
112.98814	3.8
113.02451	3.1
117.03429	0.9
119.03506	1.3
119.05029	2.6
121.02953	1.2
123.04504	4.5
124.04876	0.7
125.02371	0.7
128.07198	0.8
130.99847	1.8
132.66850	0.9
134.03729	1.1
135.04529	5.1
137.02444	1.6
145.02950	1.3
147.04524	0.9
149.00908	8.7
150.01248	1.5
150.46806	0.7
151.00356	1.0
152.01138	2.5
153.01857	0.9
161.02470	0.9
161.04497	0.7
163.03999	3.4
164.94858	0.7
167.03499	12.0
168.03819	2.7
174.03076	0.9
175.03975	1.3
175.07611	0.9
177.05548	1.2
179.03506	2.9
187.04002	2.4
188.04424	1.5
193.08632	0.7
199.03949	1.2
202.06279	1.1
205.08124	0.9
209.04472	1.3
211.13506	0.8
226.02747	0.9
227.03462	1.8
230.09084	0.9
243.02931	3.2
254.02118	1.6
255.03015	1.2
258.12033	0.9
271.02481	44.0
272.02814	3.3
273.15063	1.1
283.13342	0.9
284.13776	2.5
299.01965	67.3
300.02670	20.2
301.03088	2.4
301.14563	1.8
302.14771	3.5
314.04404	1.0
315.05099	41.3
316.05371	3.1
320.15836	1.1
327.16000	1.1
328.16364	3.1
336.14334	1.3
337.79193	0.8
345.16974	4.5
346.17346	9.9
364.18497	4.5
377.29108	2.6
390.16495	4.0
391.26926	1.2
407.16815	1.5
408.17319	2.9
462.08054	12.8
463.08356	1.5
465.27280	1.3
477.10352	100.0
478.10666	9.1
508.17307	0.9
523.55554	0.8
539.25024	2.3
539.34027	8.4
540.25299	4.6
540.34613	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	539.2865
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
54.45229	0.8
55.01877	1.3
57.03438	2.4
57.31870	0.8
58.00589	1.7
59.01384	100.0
61.98822	3.1
64.52580	0.8
67.06744	0.9
68.99817	1.2
69.03448	2.9
69.10629	1.1
71.01386	25.2
71.05018	1.4
71.22317	2.0
72.99316	5.3
73.02953	12.5
75.00861	2.1
81.03466	6.8
83.01391	4.2
83.05003	1.0
84.02159	1.1
85.02958	9.0
87.00883	17.3
87.04591	0.9
89.02441	8.3
95.01376	3.2
97.02962	1.4
97.06588	2.1
99.00892	5.3
99.04527	1.4
101.02451	18.1
103.00368	3.7
109.02954	1.2
111.04533	1.4
112.98808	3.4
113.02451	8.7
115.07684	0.9
119.03503	3.8
119.04997	1.5
121.02919	1.7
123.08129	1.8
125.02447	3.8
127.03943	1.1
128.98302	1.9
130.99800	1.3
133.02922	2.3
134.03708	2.3
135.04506	2.8
137.02411	2.3
139.00307	1.6
141.09157	3.0
143.03455	2.6
147.04521	1.2
149.00938	21.2
150.03267	1.1
161.02469	1.2
161.04588	4.8
161.05969	0.8
167.03598	1.4
173.06146	1.3
175.03958	1.7
176.04871	1.5
177.05547	2.6
177.09232	1.2
178.02737	2.5
179.03519	1.8
187.03963	1.1
187.07684	5.4
189.05586	1.4
201.05658	2.6
201.09236	3.7
203.07253	5.8
204.07953	1.4
205.08685	13.4
211.13457	2.8
217.15868	1.4
219.10283	3.9
219.17549	52.3
220.17848	4.1
224.06804	1.2
229.08707	3.9
230.09444	2.9
231.10056	1.3
232.07382	3.4
233.08218	7.2
247.09755	15.2
248.10464	2.9
251.09375	2.4
261.22302	9.2
264.10110	1.7
265.10852	11.5
273.22263	14.2
291.23334	12.4
292.09671	1.6
292.23706	0.9
317.21191	13.1
318.21347	1.7
327.16077	1.5
329.13998	1.3
335.22305	61.2
336.22571	4.9
345.17191	7.8
377.23285	13.3
378.23721	1.6
389.16022	6.6
407.16965	7.0
442.11057	7.6
451.30676	2.1
477.24094	17.0
477.74588	3.1
479.26477	4.9
497.27151	5.0
539.28656	91.0
540.28900	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	539.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.6
70.73403	3.2
71.01392	2.0
72.99309	1.9
73.02985	1.0
86.26196	1.1
87.00877	14.9
89.02472	1.6
93.03482	1.2
96.95995	1.3
97.41043	1.1
102.20556	1.1
103.00379	2.7
105.01852	1.1
121.02975	2.7
122.03738	5.2
123.04505	3.0
133.02943	2.1
134.03737	15.8
135.04509	4.2
136.01662	59.2
137.01965	1.7
147.68762	1.1
149.00937	11.9
149.02342	6.8
149.06085	13.1
150.01324	1.5
150.03224	37.9
151.04012	94.0
152.04285	2.2
161.02426	2.2
165.05565	53.9
166.05954	2.0
175.02477	1.1
175.03937	1.3
178.02736	1.4
179.03514	1.8
180.04224	3.4
181.05072	11.9
193.05008	5.8
195.06624	19.6
211.06035	3.7
213.85162	1.1
235.34583	1.2
275.14999	1.3
285.19534	1.2
299.09134	2.4
341.10187	1.2
363.16364	3.5
407.13455	100.0
408.13828	8.6
539.18054	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	539.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.8
65.91385	0.3
69.71572	0.3
71.61192	0.4
71.61562	0.3
98.60295	0.3
99.92582	2.6
100.93365	1.7
103.61536	0.3
113.92640	0.5
115.92083	100.0
116.92090	4.0
116.92873	1.7
117.92516	0.4
127.23234	0.2
132.92365	1.2
450.67480	0.3
539.28284	12.5
540.28650	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	538.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96671	0.4
59.00946	0.6
59.01382	41.9
61.98833	100.0
64.65926	0.3
66.21319	0.3
71.01384	4.9
72.98919	0.3
72.99280	1.9
73.02954	1.9
83.01433	0.5
85.02974	1.4
87.00864	3.7
89.02449	3.5
101.02451	3.5
103.00348	0.9
106.07339	0.4
108.02229	0.5
109.02969	1.6
112.98832	1.2
113.02464	2.8
119.03525	1.3
121.02909	0.6
122.03725	0.4
123.04521	0.4
130.99924	0.4
133.02971	0.8
134.03746	5.9
134.30693	0.4
135.04515	2.2
137.02498	0.8
145.02954	0.5
146.03745	0.4
149.00945	5.2
149.04587	0.6
150.23376	0.4
150.57480	0.4
151.04024	0.9
161.02438	0.9
161.04597	0.9
162.38792	0.5
163.03978	0.5
174.03397	0.4
175.04037	1.2
175.07706	0.8
176.04745	0.4
177.05550	0.5
178.02805	0.6
179.03403	0.6
183.13904	0.5
186.06975	0.4
187.03986	2.1
201.09230	0.6
202.06418	1.1
203.07175	0.6
204.07954	1.1
209.04643	0.4
211.13419	6.8
216.08002	0.4
227.16586	1.0
230.09564	0.4
232.07414	1.5
244.09879	0.5
248.10587	0.9
273.15088	0.5
283.13516	1.1
291.34351	0.5
299.16763	0.8
301.14542	1.8
309.14993	0.8
319.15457	0.7
327.15964	4.2
329.13950	0.5
345.17056	13.4
345.21051	0.8
363.18262	1.5
371.20743	4.1
376.27496	0.5
389.16138	2.6
389.22018	2.7
407.17068	7.6
431.22910	4.3
440.16415	0.4
478.24084	0.7
478.31049	0.9
537.32874	1.2
538.33704	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	539.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.9
70.92390	1.1
72.89465	0.6
72.99297	1.5
80.46810	0.6
81.67106	0.7
87.00877	10.7
93.03493	0.7
98.86298	0.8
108.02168	0.9
112.98788	1.0
121.02974	5.2
122.03727	2.9
123.04536	3.3
124.56630	0.7
130.99805	0.7
133.02933	1.2
134.02722	0.9
134.03743	15.4
135.04509	2.4
136.01662	47.5
137.02039	1.5
149.00925	6.3
149.02432	8.1
149.06061	13.4
150.03227	25.9
151.04007	75.6
152.04329	3.3
161.02388	1.4
164.04778	1.9
165.05568	27.4
166.05957	0.8
180.04224	2.0
181.05048	9.2
193.05031	3.3
195.04799	0.9
195.06633	10.7
203.64615	0.7
208.69765	0.9
210.05440	0.8
211.06096	1.8
225.05678	0.7
235.03989	0.8
236.04718	1.3
237.05548	1.2
239.07066	0.8
240.04379	0.8
241.05141	1.2
252.04259	4.3
255.06630	2.7
256.07355	0.9
257.13016	0.8
267.06619	2.4
268.83737	0.7
269.04483	0.8
284.06949	4.9
285.07626	0.9
297.11246	0.8
299.09253	12.4
341.10172	2.5
347.11047	0.8
359.11331	8.4
360.11716	0.9
363.16260	1.1
364.20233	2.0
373.15308	0.8
389.12366	2.3
407.13440	100.0
408.13727	8.4
539.18097	1.1
547.87952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
61.17540	0.4
61.98833	3.2
69.03464	0.8
71.01389	1.5
71.61401	0.7
72.99309	1.7
74.02486	0.5
75.00886	0.7
83.01408	0.5
87.00892	2.1
89.02454	2.5
95.01408	1.9
96.96005	0.5
97.02944	0.6
99.00882	0.7
101.02447	1.0
103.00354	0.8
103.41819	0.4
107.01459	0.7
107.23364	0.4
109.02959	0.7
112.98827	0.6
113.02495	0.9
114.87023	0.5
117.03444	0.4
119.03345	0.4
119.04987	0.5
121.02923	0.5
122.01602	0.9
122.02486	18.0
123.00878	8.5
123.02816	0.5
123.04534	0.6
124.01669	27.7
125.02458	10.7
134.03789	0.8
135.04530	2.2
137.02440	0.9
139.04079	0.5
145.02910	0.5
145.23015	0.4
149.00938	3.7
149.02145	0.7
149.04512	0.7
149.99588	43.6
151.00211	1.7
151.04037	0.9
153.01860	0.6
156.25208	0.4
161.02469	0.5
163.03987	1.2
164.03503	0.7
165.01952	0.5
166.99893	0.5
168.00642	96.1
169.01384	5.8
175.04028	0.5
179.03545	2.1
202.08733	0.4
209.11896	0.5
221.13130	0.5
239.05620	0.6
259.12088	0.5
268.07037	0.4
274.14542	1.3
283.04584	1.0
301.05685	4.2
318.17236	0.5
326.90070	0.4
329.10751	0.4
362.10013	0.5
362.16113	2.5
415.08810	6.1
520.10657	0.6
538.11993	100.0
539.12134	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	537.3283
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01880	0.7
57.03224	0.3
57.03455	3.3
58.00583	0.5
59.01381	19.0
61.98828	3.1
63.96013	0.3
64.71113	0.3
69.03436	0.5
69.66676	1.4
71.01385	9.6
71.05003	0.3
72.99310	1.6
73.02949	2.0
75.00878	0.3
79.46648	0.3
83.01392	1.6
85.02952	4.5
85.06583	0.4
87.00877	2.5
89.02453	5.0
93.18503	0.3
95.01373	0.7
99.00888	0.8
101.02439	6.2
103.00370	0.3
109.02956	0.6
111.00929	0.3
112.98801	0.9
113.02457	3.1
119.03507	1.7
119.04979	0.8
121.02964	4.7
123.04488	0.6
124.01644	0.6
125.02444	0.4
131.03458	0.3
134.03706	1.0
135.04543	2.1
137.02452	0.6
141.12868	0.4
143.03465	0.3
145.02959	0.4
149.00926	2.5
149.04515	1.0
149.05949	0.3
149.99565	0.3
152.01180	0.4
153.01935	0.5
159.04494	0.3
161.02437	0.9
161.04504	0.6
163.04013	0.8
165.12886	0.3
167.03488	1.1
168.00591	0.7
174.03210	0.6
175.04008	0.5
177.01949	0.4
179.03468	1.0
179.05540	0.3
183.13896	1.8
191.03505	0.3
193.05084	0.4
199.17001	0.5
202.06111	0.3
207.06807	0.3
209.04544	1.2
219.03026	0.3
223.06053	0.4
227.12833	0.9
255.10353	0.3
269.06619	0.5
271.13391	0.5
287.67197	0.3
317.14200	1.4
325.14072	0.3
329.23300	0.5
333.26498	0.6
334.88116	0.3
343.15521	0.5
355.24936	0.3
357.26520	3.3
358.26944	0.4
361.16422	0.7
375.27502	13.8
376.27817	1.0
405.15585	0.7
477.30600	2.4
478.31293	0.4
495.31699	0.7
507.31186	0.3
519.31726	1.5
537.32782	100.0
538.33185	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	536.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78730	0.9
61.98831	100.0
73.36501	0.9
78.95919	2.5
94.08384	0.9
98.19729	2.2
107.89919	1.0
122.52216	1.0
161.96948	1.1
196.89468	4.6
197.89513	2.2
198.60052	0.9
469.68942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68181	1.1
59.01384	10.7
60.30989	1.2
61.98829	100.0
64.38843	1.2
68.46270	1.2
71.62003	1.5
78.95913	1.4
90.37116	1.4
109.70525	1.2
119.52306	1.4
146.99716	1.2
202.84251	1.2
214.19769	1.3
293.21289	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73979	0.5
58.56408	0.5
58.69868	0.5
59.01380	9.5
60.11688	0.6
61.98831	16.9
69.03474	0.8
69.50942	2.6
69.51358	1.8
71.01382	2.1
72.99324	1.4
73.02940	1.6
75.00890	0.8
78.05153	0.5
85.02965	1.7
87.00869	1.3
89.02438	1.1
93.03460	18.0
95.01403	1.5
96.08298	0.6
101.02456	1.6
108.02174	52.1
109.02331	0.7
109.02980	12.3
110.03288	0.7
112.98803	0.5
113.02477	1.4
119.04970	0.9
121.02975	0.8
123.00864	0.7
123.04541	0.7
125.02427	0.8
133.02957	1.6
134.03729	0.8
135.04500	2.9
137.02440	26.2
138.02785	1.3
139.32059	0.6
145.02940	0.6
149.00912	1.2
149.02477	0.8
150.03223	0.7
151.03957	1.2
152.01152	100.0
152.63934	0.6
153.01736	2.9
161.02422	2.3
163.04004	2.3
165.05597	1.1
167.03381	0.7
167.13344	0.5
175.04053	1.1
177.05539	0.6
179.03439	1.3
205.04912	0.6
219.03123	0.8
241.07057	0.8
285.06345	0.9
334.55487	0.6
353.06787	0.6
399.09341	16.8
400.09665	1.5
417.10364	18.5
418.10773	1.0
470.28210	0.7
537.12469	78.1
537.32861	1.9
538.12872	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	537.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13832	0.7
59.01381	15.4
59.84182	0.6
61.21050	0.8
61.91707	0.7
61.98828	9.5
69.52621	0.8
69.61407	2.6
69.61816	2.5
71.01389	4.9
72.99305	1.1
73.02945	1.1
73.86512	0.7
73.99311	0.9
83.01381	1.7
84.98310	0.8
85.02950	1.8
87.00900	2.0
89.02444	3.0
93.04771	0.7
95.01366	2.0
101.02431	3.4
103.00381	1.2
107.01414	0.8
112.98822	0.9
113.02437	2.6
119.03529	1.0
121.02957	10.9
123.00863	9.2
124.01667	29.1
125.02473	11.8
135.04451	1.3
137.02412	1.0
149.00893	2.6
149.99582	42.6
151.00339	2.2
153.01871	1.2
161.04527	0.9
163.03976	2.1
168.00642	98.9
169.01314	4.9
179.03604	1.0
235.82008	0.7
241.56578	0.8
301.05609	2.5
317.13745	1.1
371.09238	0.8
375.27338	2.2
389.25043	1.0
415.08640	1.5
418.05518	0.8
477.30624	1.6
495.30981	0.9
537.12463	100.0
537.32922	10.4
538.12738	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	537.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.5
57.96477	0.5
59.01387	11.4
61.98830	22.1
68.54503	0.5
69.49693	3.3
71.01376	3.2
72.99312	1.3
73.02947	0.9
75.00874	1.0
83.01420	0.6
85.02963	1.9
87.00877	1.4
89.02467	1.6
93.03455	15.6
95.01411	1.0
99.00864	0.6
100.22587	0.5
101.02449	1.4
107.05025	0.6
108.02176	48.4
109.02986	12.3
111.81781	0.5
113.02456	0.9
114.40651	0.5
119.03556	0.7
119.05054	1.2
121.02956	1.0
122.03786	0.5
123.00888	0.9
123.04521	0.9
133.02972	1.9
133.54816	0.5
135.04524	3.1
137.02451	26.5
139.49593	0.5
149.00923	1.3
149.02422	0.6
149.06107	0.7
150.03242	0.8
151.03983	1.5
152.01157	100.0
153.01863	4.6
161.02487	3.5
163.04012	2.8
165.05550	1.5
167.03477	0.8
175.03990	1.2
179.03470	1.4
193.05052	1.1
219.02995	0.6
237.04001	0.7
241.07230	1.0
285.06189	0.9
394.11682	0.6
399.03989	0.9
399.09283	17.8
400.09744	1.6
417.10373	17.3
418.10919	1.1
489.14316	0.6
535.45715	0.5
537.12469	81.9
538.12769	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	536.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52705	0.6
59.01380	7.5
59.60236	0.6
60.01718	0.8
61.98830	100.0
75.05356	0.5
79.67851	0.7
90.13654	0.5
96.96072	0.6
98.20573	1.2
137.09489	0.6
187.10371	0.6
340.02332	0.6
440.20651	0.6
518.72937	0.6
553.37146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59863	1.2
61.29960	1.3
61.98836	100.0
62.64275	1.2
64.00164	1.1
69.50445	8.5
72.08990	1.1
78.95908	1.2
83.81505	1.1
85.02428	1.2
141.87935	1.3
473.36182	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	536.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.1
57.03452	6.9
58.00575	4.0
59.01381	81.9
60.01694	2.2
61.98832	75.9
65.79060	1.0
68.02525	1.7
68.99781	2.7
69.03404	1.2
69.30025	10.7
70.34515	1.5
71.01385	100.0
72.01688	2.3
72.99313	10.1
73.02951	28.5
75.00871	17.5
79.95700	1.2
83.01394	16.1
85.02951	43.4
86.00061	1.3
86.03247	1.6
87.00874	15.3
89.02450	30.6
92.91568	1.2
93.03424	1.4
95.01392	10.6
97.02900	2.6
97.06563	1.6
99.00889	22.7
99.04451	1.8
101.02444	73.5
102.02749	2.4
103.00325	2.8
109.02899	2.1
111.00791	1.3
112.98811	5.6
113.02456	32.4
119.03505	6.9
121.02889	1.9
125.02357	4.2
129.01889	2.8
130.99817	1.3
131.03477	5.4
133.02943	1.9
134.03693	2.8
135.04512	8.2
135.93706	1.2
137.02385	3.9
143.03479	2.6
145.02924	2.0
149.00931	10.6
159.02988	5.8
159.04196	1.2
161.02388	3.2
161.04567	19.2
161.41769	1.2
163.03925	2.2
167.03426	1.7
167.25652	1.1
175.03937	2.0
179.03392	4.7
275.09033	3.5
289.83328	1.5
343.15530	2.0
357.25851	1.3
359.08408	1.2
361.16284	1.4
374.26004	2.8
375.27411	2.2
401.24091	4.5
405.15216	2.3
446.74173	1.7
455.24469	2.4
477.31201	1.5
536.26917	82.4
536.77423	39.3
537.26184	4.5
537.32544	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	536.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03444	1.8
58.00598	0.7
59.01380	70.2
60.01707	1.9
61.38408	0.7
61.98829	100.0
69.57628	4.3
71.01382	9.9
72.01726	0.8
72.99310	8.1
73.02941	4.4
73.99685	0.8
78.72696	0.6
79.16425	0.6
83.01385	1.8
84.60410	0.6
85.02966	4.2
86.03362	0.7
87.00876	7.6
88.98792	1.0
89.02444	6.8
93.03471	0.7
95.01391	1.3
99.00890	1.2
99.04549	0.8
101.02447	7.5
102.02805	0.8
103.00369	3.0
108.02263	0.7
109.02939	1.6
111.00911	0.7
112.98825	2.4
113.02467	5.3
117.14958	0.7
119.03519	2.5
119.05006	1.2
123.04521	2.1
125.02440	1.1
130.99867	1.1
132.70320	0.6
133.02956	1.1
134.03751	2.6
135.04547	6.9
136.04886	2.1
137.02484	1.2
143.03549	1.2
149.00911	11.5
149.04620	0.8
149.06175	0.9
150.03282	0.7
151.00368	2.6
151.04021	1.8
152.00943	1.1
155.08249	1.4
159.04587	0.9
161.02438	1.9
161.04562	2.7
163.03954	0.9
173.02452	0.8
174.03056	0.8
175.03995	0.7
178.02699	1.3
179.03500	3.2
179.05693	0.8
180.03819	1.4
192.04231	0.9
193.05055	4.5
194.05457	1.7
197.04521	4.2
198.04974	2.3
203.03529	1.0
207.06654	1.9
208.07027	1.2
252.01360	0.7
284.03253	0.7
285.03772	2.0
286.04303	1.9
287.04901	2.2
288.05640	1.5
289.06335	0.7
317.14011	1.2
333.09677	1.2
340.55774	0.8
343.15408	1.0
349.24426	0.6
349.86801	0.7
357.26373	0.7
359.09872	2.2
360.10239	3.9
361.16461	2.1
375.27536	1.8
387.14444	2.0
387.20258	3.2
404.14307	2.3
416.23727	1.2
429.21286	5.9
434.24713	1.1
477.31052	1.3
492.11267	3.7
535.31372	2.9
536.14972	4.2
536.23633	0.7
536.32111	8.8
537.15137	1.4
537.24634	1.1
537.32849	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	536.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00568	2.0
59.01381	39.0
61.98831	2.3
69.69808	6.4
71.01384	25.8
72.99299	2.3
73.02971	1.2
83.01384	1.5
85.02958	4.6
86.02477	9.4
87.00879	2.7
88.04091	0.9
89.02444	50.2
93.03457	3.4
95.01384	2.2
98.19869	1.6
101.02438	13.5
106.04250	1.4
113.02457	14.0
113.80676	0.9
119.03513	16.7
119.05011	16.5
127.27449	1.1
131.03502	2.2
135.04520	2.0
143.03464	3.9
149.06096	1.3
152.25348	0.9
161.04552	5.3
163.04022	21.0
174.67410	0.9
179.05609	26.7
179.07166	1.7
189.05557	1.5
194.08211	67.3
195.08472	2.2
217.05128	1.3
269.00409	0.9
272.98987	0.9
308.99420	0.9
337.96103	1.0
339.07208	5.6
341.10873	100.0
342.11255	5.1
416.23358	1.1
501.12515	4.4
554.79968	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27418	0.8
57.03432	1.3
58.00579	0.8
59.01381	91.8
60.01715	3.8
60.42259	0.9
61.98831	100.0
66.64136	0.7
69.30118	8.0
71.01386	19.0
72.99310	3.7
73.02945	6.9
78.95898	0.8
79.05522	1.0
83.01404	2.4
85.02938	6.1
87.00877	10.9
87.04514	1.1
88.98801	0.9
89.02448	9.0
93.03451	1.4
95.01376	2.3
97.06604	0.9
99.00899	1.5
101.02444	11.6
101.85348	0.7
102.02757	1.4
103.00380	1.9
105.01871	0.9
109.02954	2.3
112.98807	1.5
113.02450	5.9
114.02811	0.8
119.03478	2.5
119.05032	2.9
121.02975	0.9
123.04521	1.6
125.02425	1.5
130.99876	1.4
131.03488	1.0
133.02921	0.8
134.03702	1.1
134.06114	3.2
135.03584	0.7
135.04544	5.8
136.04858	1.1
136.07623	0.9
137.02470	1.1
139.00395	1.5
143.03499	1.5
145.02907	1.2
149.00922	23.5
149.02203	1.2
149.06076	1.2
150.03268	1.0
151.03969	1.4
153.01965	3.8
155.08281	12.9
156.08575	3.3
159.03001	0.9
159.04494	1.8
160.01743	0.7
161.02438	1.2
161.04570	5.1
163.04010	1.4
167.03452	1.3
168.00671	1.6
172.05252	1.8
173.06097	2.3
174.03154	2.0
175.03989	2.4
178.77702	0.8
179.03455	3.6
179.05583	2.0
180.06624	1.4
187.03882	0.8
188.04758	1.0
189.05533	0.9
193.05022	2.4
199.07655	2.8
203.03627	1.7
203.05435	1.2
217.04877	0.9
243.06488	2.3
298.25549	0.8
303.14682	1.2
307.13345	0.8
317.13931	2.1
325.14432	5.6
333.09747	1.5
337.09491	1.3
343.15469	5.0
345.19357	1.2
361.16602	4.3
369.13351	2.2
375.27487	2.1
387.14426	10.4
387.20163	3.8
415.23560	1.2
416.23605	2.8
429.21277	3.4
434.25046	1.5
468.11099	0.7
476.25717	1.7
536.25458	17.3
537.15430	3.0
537.24768	1.5
537.32928	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	536.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.7
59.57846	0.3
61.98830	100.0
64.81693	0.3
69.97035	0.7
69.97437	1.1
71.01376	0.5
94.61829	0.3
109.02952	4.0
111.00956	0.4
111.98028	0.3
121.65128	0.3
125.02430	0.6
133.03011	0.5
135.04523	7.5
147.04532	1.1
148.05299	1.0
149.06076	5.3
150.99318	0.3
151.04033	0.4
159.04599	0.4
161.02466	0.6
161.06079	2.5
163.03964	0.5
163.07663	0.4
165.05586	0.5
171.04492	0.4
173.06068	0.8
174.03206	0.4
175.04039	1.9
176.04727	0.3
177.02036	0.3
177.05598	1.2
179.03540	0.9
188.04813	0.4
189.05573	8.9
190.05832	0.3
191.03554	0.7
191.07207	1.2
193.05008	0.7
203.07141	0.5
207.06593	5.7
207.08391	0.3
217.05009	3.1
219.03036	0.9
221.04546	2.3
230.67598	0.3
231.06732	1.0
235.06073	3.3
237.04102	1.3
239.05664	1.0
249.07832	0.3
251.05678	0.4
251.09306	0.5
277.07153	0.5
279.05051	1.7
281.06659	0.4
295.08194	0.7
297.09784	0.4
311.07846	2.2
311.11279	0.6
339.07193	12.2
369.12024	1.5
380.29172	0.3
383.10251	0.7
389.08469	0.3
397.11847	0.3
401.11023	1.1
413.10880	8.1
414.11438	0.6
415.12576	0.6
443.11795	1.8
455.12033	0.4
473.13004	5.0
474.13702	0.6
487.10846	0.4
501.12521	6.8
501.19080	0.5
536.12244	0.5
537.16827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	42.0
61.98835	100.0
69.70009	3.7
71.01380	2.6
73.02953	1.8
83.12650	0.6
89.02457	0.8
101.02456	2.3
109.02977	0.8
113.02445	1.3
120.93620	0.5
123.08192	1.3
140.73056	0.5
149.04587	0.8
161.04597	1.7
163.11290	1.1
179.05635	1.1
189.12929	2.6
199.15953	0.6
207.13942	4.4
394.08212	0.6
429.21317	2.6
430.21915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	4.0
58.00577	1.6
59.01379	100.0
61.98833	22.1
71.01373	20.8
71.02494	1.8
71.61924	1.8
72.99291	3.3
73.02948	11.1
83.01359	3.4
85.02948	9.9
85.68123	1.3
86.86607	1.2
87.00894	9.5
87.04514	1.3
89.02438	11.4
93.03477	7.0
95.05014	1.4
98.01177	1.4
99.00825	2.4
101.02450	17.9
103.00325	3.8
107.04973	4.5
108.02149	1.4
109.02917	4.4
112.98739	4.2
113.02426	9.8
119.03422	4.5
119.05019	8.8
123.04475	1.8
125.02422	1.6
134.03659	4.5
134.06119	16.5
135.04524	17.7
136.07709	3.0
137.02441	2.0
139.08763	1.5
143.03465	1.6
145.02895	2.3
146.06129	2.2
149.00949	7.7
149.01982	2.0
150.03111	2.3
151.03931	2.4
153.01799	2.3
155.08272	68.5
161.02351	3.3
161.04608	8.1
163.03937	5.2
165.05458	2.5
167.03375	1.6
174.03111	2.7
175.03900	4.3
176.04620	1.5
177.05420	1.5
178.02635	1.8
179.03542	6.8
179.05490	2.0
180.06586	4.2
188.04666	2.4
190.04985	1.8
193.04979	3.6
195.20450	1.3
205.76880	1.5
275.13870	2.6
317.41113	1.6
327.15445	2.0
337.08725	3.0
345.19006	1.8
359.10873	1.5
359.14941	2.5
371.14981	2.1
373.25842	2.2
403.23096	1.8
415.23480	8.4
433.24603	7.1
475.25070	3.1
480.21024	1.5
535.25146	74.8
536.25391	11.1
536.75104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02263	1.4
58.17812	1.3
59.01379	100.0
61.98830	8.3
70.02345	4.2
70.02760	3.0
76.27949	1.3
81.08603	1.5
93.19016	1.5
96.96027	2.9
116.80810	1.5
168.07959	1.4
169.65591	1.5
183.39879	1.4
186.02965	1.4
197.11693	1.4
221.76221	1.5
281.51779	1.5
297.30786	1.8
475.38211	1.9
482.28217	1.7
535.32135	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	535.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.0
61.43542	0.7
61.98827	2.4
69.70696	0.7
71.01380	1.6
72.99314	2.6
73.02953	2.2
84.99328	1.6
87.00882	13.4
93.03463	1.5
97.06570	0.7
99.25288	0.7
101.02442	1.2
103.00362	4.0
104.41357	0.7
112.98811	24.9
113.02454	1.4
119.05028	100.0
120.05383	3.3
121.02970	1.2
130.99910	1.1
133.02954	3.0
134.03757	9.5
135.04480	1.0
147.04521	1.6
149.00925	9.0
149.06104	1.2
159.04489	1.1
161.02422	1.8
162.03209	1.4
163.04010	57.3
164.04344	1.7
165.12837	7.2
172.05389	0.8
175.04015	2.0
177.01942	3.3
178.02715	2.6
183.13907	14.2
186.06825	1.7
187.07642	3.1
192.04295	3.9
193.05045	1.6
197.15414	0.9
201.05547	2.1
201.09254	1.6
205.05090	1.4
207.13974	1.3
209.11847	0.9
214.06285	3.4
215.07137	3.3
221.15471	1.3
225.14928	0.8
227.12892	14.2
228.13191	0.8
229.08714	4.2
230.09303	1.6
231.14030	0.9
233.04588	3.6
233.11751	1.1
249.14949	1.1
251.12975	4.2
265.14551	1.5
269.13992	2.5
274.08307	1.0
275.12848	2.3
293.13950	18.0
294.14304	1.0
306.11102	2.5
307.04590	6.6
311.15283	1.0
325.09302	3.1
327.16040	1.2
371.16769	6.3
399.98978	1.0
403.17688	8.9
408.29684	0.8
535.21802	12.2
535.30841	1.2
536.22394	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	535.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03438	1.8
59.01378	21.9
60.43839	1.0
61.98832	10.3
68.99794	1.5
70.58984	3.0
71.01377	6.0
71.05025	4.7
72.99292	4.6
73.02942	5.2
84.99321	10.9
85.02948	3.1
87.00874	18.1
89.02465	1.5
98.19890	1.1
99.00902	1.9
99.04518	74.2
100.04869	9.8
101.02448	1.5
103.00378	5.2
112.98813	100.0
113.02441	2.2
113.99160	1.2
119.04995	2.1
121.02964	1.9
127.00364	1.9
130.99846	2.7
133.03012	2.5
134.03743	21.8
135.04543	2.7
137.02437	1.8
143.03551	2.9
145.02892	2.0
147.04474	2.3
149.00917	3.0
149.06058	4.7
151.03978	1.1
159.04614	1.0
160.01659	4.3
161.02637	1.1
162.03220	3.2
163.04012	2.9
165.12846	8.7
166.13332	1.1
173.06081	1.4
174.06960	1.1
175.03951	5.5
176.04767	1.3
177.01942	3.6
177.05630	1.8
178.02715	4.0
183.13898	20.2
186.06856	2.7
187.07664	2.8
190.02757	1.9
191.07089	1.7
192.04292	5.3
193.05098	5.7
197.15489	1.1
201.05585	2.3
201.09233	2.1
202.06102	1.3
205.05083	1.5
209.11955	1.5
211.13414	1.1
214.06450	2.1
215.07028	4.5
218.02147	0.9
227.12880	20.0
228.13345	1.1
229.08736	4.3
230.02119	1.7
230.09428	1.4
231.10278	1.7
233.04515	11.9
245.04568	1.4
262.12308	1.0
274.08694	1.2
306.11029	2.0
307.04587	30.8
307.08148	2.0
308.04993	1.5
341.12149	1.2
343.76889	1.0
371.14954	4.4
403.17661	10.7
535.32233	1.4
542.31494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03360	1.8
57.03641	0.9
59.01289	19.7
59.01626	3.4
60.01665	0.6
61.98739	2.5
62.85868	0.5
64.66215	0.6
68.69432	0.5
71.01292	6.6
71.01711	1.3
72.99233	1.6
73.02856	2.2
74.23691	0.6
83.01306	1.1
83.88698	0.5
84.99272	0.7
85.02850	4.1
85.03387	1.0
87.00772	7.7
89.02341	5.3
93.03374	1.4
95.01289	1.0
97.06553	0.7
99.00816	0.7
99.04411	1.0
101.02332	5.6
103.00338	1.1
105.06994	1.1
107.04985	0.6
108.02100	1.1
109.02861	1.7
112.98814	4.1
113.02435	3.1
117.03362	2.5
119.03407	1.1
119.05017	2.8
121.02995	2.8
121.06516	0.7
122.03722	0.7
123.00829	1.3
123.04526	2.9
124.01549	1.9
125.02424	0.9
125.21173	0.7
130.99802	0.8
132.02089	1.1
133.02841	1.4
134.03745	2.9
135.04526	18.2
135.07996	0.7
136.01601	1.2
136.04791	0.9
137.02303	2.1
138.03154	0.6
139.00287	0.8
139.03893	2.6
145.02959	8.8
147.04492	3.7
149.00787	4.1
149.02295	2.3
149.06053	6.3
150.03229	20.4
150.04346	0.9
151.00348	0.7
151.03822	1.8
152.00941	1.0
153.01877	1.0
153.05579	14.2
159.04359	1.6
160.01636	2.7
160.03944	0.6
161.02278	2.6
161.04727	1.0
161.06052	7.6
162.03241	0.6
162.06729	0.7
163.04015	6.4
164.04688	1.4
165.05562	18.6
166.05820	1.2
167.03357	0.7
173.05940	0.8
174.03091	1.1
175.04028	2.8
176.04651	0.7
177.05505	1.5
179.03610	5.9
179.07130	42.8
180.07356	1.8
187.03963	0.6
188.04718	0.6
189.05444	1.0
191.03389	1.3
191.07068	0.8
193.04941	1.4
193.08440	0.8
197.11722	2.5
200.04741	0.6
201.05472	1.1
203.03461	0.7
211.07668	0.6
219.02832	2.4
229.04974	0.6
231.02777	0.8
241.10852	4.8
252.98456	0.6
271.05981	1.3
273.03943	1.9
275.01767	0.7
281.08383	0.8
286.08429	5.3
293.03049	3.9
298.08304	0.8
301.03470	2.9
301.06833	1.0
309.15118	0.8
311.12936	1.4
316.05783	4.0
316.09384	1.9
327.15970	1.2
331.08200	12.6
331.11829	100.0
332.08548	1.3
332.12192	8.5
337.09409	1.3
355.24841	2.2
359.14944	2.8
359.18759	2.1
371.14966	2.0
373.11218	3.8
373.25839	4.9
403.17941	1.4
425.87012	0.8
475.29660	1.2
491.25336	1.3
493.29846	0.7
517.17157	1.2
517.30231	1.0
535.19495	10.6
535.31567	32.3
536.18951	1.4
536.31891	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.5
56.01040	1.1
57.03450	3.1
57.17590	1.0
58.00587	4.6
59.01378	100.0
61.98828	14.9
71.01379	15.0
71.05014	1.4
71.62238	1.6
72.99311	9.3
73.02936	5.7
75.31095	1.0
83.01401	3.3
84.99303	1.7
85.02950	5.6
87.00878	38.2
89.02437	8.0
93.03465	2.0
95.01374	2.4
96.96030	1.1
97.02927	1.1
99.00916	1.3
99.04540	1.4
101.02443	10.8
103.00371	40.8
107.01367	1.4
108.02177	1.2
109.02989	1.9
112.98808	11.1
113.02413	6.2
116.16696	1.1
117.03460	5.1
119.03523	2.0
119.05044	4.1
121.02971	4.0
123.00904	5.9
123.04501	1.3
124.01664	24.1
125.02451	2.0
125.70018	1.2
127.00425	1.0
130.99873	13.3
133.02946	2.4
134.03763	2.5
135.04527	19.7
136.04813	1.4
137.02495	3.2
139.00443	1.3
139.04015	21.6
145.02943	15.8
146.03465	1.5
147.04539	2.5
148.01649	1.6
149.00949	9.1
149.02443	14.3
149.06113	2.1
150.03235	2.8
151.00372	5.6
152.01109	5.9
155.08318	1.3
159.04417	1.2
160.01746	1.9
161.02451	3.8
161.04698	2.5
161.06024	1.1
163.04005	9.0
164.04784	12.3
165.01993	2.6
165.05580	2.3
167.03560	1.9
169.05093	2.4
173.02440	3.8
174.03244	6.2
175.03983	2.0
175.07603	1.5
176.01218	4.3
177.01936	1.1
179.03482	6.2
179.07089	7.1
181.61452	1.0
183.13846	1.3
187.07594	1.3
189.05681	1.3
191.03517	6.4
193.01395	9.5
198.25787	1.1
208.03746	28.6
211.07645	1.6
213.05644	1.1
219.02995	3.2
223.06104	83.2
224.06541	2.9
237.07726	3.1
241.10883	4.7
283.13538	1.5
287.05753	4.8
293.03162	2.6
311.12946	2.2
327.16144	2.9
331.08237	3.2
331.12021	5.7
341.14038	1.6
343.24728	1.5
355.24719	5.2
359.15021	11.3
359.18878	2.5
360.15515	1.7
366.72690	1.0
371.15121	2.9
373.11380	1.8
373.25931	9.6
403.13745	15.2
403.17953	1.9
404.14453	1.4
475.29590	2.5
493.30536	2.0
517.30212	2.0
534.30414	1.3
535.31506	68.5
536.31805	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	535.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98674	0.9
57.03453	3.4
58.00578	2.0
59.01381	100.0
60.01714	1.3
61.98832	38.0
65.00357	1.6
69.03461	1.3
70.92640	1.1
70.92973	1.6
71.01381	18.4
72.99310	18.0
73.02960	11.1
75.00864	1.2
83.01384	4.6
85.02959	7.4
87.00872	18.3
87.01342	1.3
88.01215	1.0
89.02442	9.5
93.03442	1.1
95.01403	2.1
95.33514	0.9
97.06618	1.8
99.00886	2.1
99.04534	1.8
101.02455	15.3
101.03070	1.1
103.00378	18.3
107.01421	1.2
109.02940	2.4
111.00890	1.2
112.98839	3.8
113.02444	10.1
114.91674	1.0
117.03490	1.2
119.03537	3.6
119.05070	1.6
119.97988	1.1
121.02963	1.0
123.04578	4.0
125.02467	2.8
130.99876	7.9
131.03528	1.2
132.02158	1.3
133.02992	2.3
134.03748	15.0
134.06134	1.7
135.04538	23.8
137.02478	3.5
137.09756	1.4
139.04042	1.7
143.03528	2.0
145.02975	2.8
149.00945	5.2
149.04645	1.9
149.06093	6.5
150.03206	1.8
151.00380	9.5
151.04001	6.7
152.01260	1.0
155.08336	3.7
159.04533	1.7
160.01694	1.2
161.02498	3.5
161.04575	4.0
163.04041	1.0
175.04073	3.0
177.02023	1.1
177.05608	1.5
178.02719	10.1
179.03551	10.8
179.05704	1.6
179.10854	1.0
192.04222	2.3
193.05067	27.7
193.06747	1.8
194.05507	1.3
197.04515	17.7
197.06075	1.3
203.03584	2.1
207.06650	6.8
221.04601	1.6
237.96086	0.9
255.06448	1.0
269.12994	2.0
285.04047	3.8
286.04248	3.1
287.05609	11.3
313.09677	1.1
337.09521	2.0
339.08109	1.7
355.25058	1.6
359.09866	17.2
359.14502	1.4
359.18976	2.3
360.10306	2.1
373.12048	3.2
373.26181	2.7
385.12265	3.7
401.12921	1.6
403.13730	9.5
404.14447	1.3
415.23438	4.7
429.21909	1.8
433.24774	2.0
475.29559	1.9
491.11340	4.3
492.11368	1.0
498.78500	1.0
517.30206	1.4
535.14276	7.2
535.31641	37.5
536.14771	1.9
536.32050	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	535.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41932	1.1
55.01877	0.9
57.03443	3.5
58.00582	1.8
59.01381	100.0
61.98837	9.8
67.41580	1.0
69.03455	1.2
69.64539	2.7
69.64954	3.1
71.01387	18.2
71.05042	1.5
72.99310	4.5
73.02939	4.9
78.47897	0.9
83.01389	3.3
84.85710	1.1
84.99307	1.8
85.02969	6.6
87.00878	30.3
89.02451	11.5
91.01898	1.1
95.01382	2.0
97.06602	1.6
98.20667	1.2
99.00851	1.2
99.04545	1.9
101.02451	11.0
103.00372	6.3
105.01972	1.2
107.01401	1.0
109.02940	4.8
110.66799	1.0
112.98812	22.6
113.02450	8.7
116.90695	1.0
117.03452	1.3
119.03509	3.4
119.05038	3.0
119.08640	1.5
123.00900	1.3
124.01662	16.1
124.72851	1.0
125.02481	1.4
127.00399	3.6
127.33754	1.0
130.99873	3.8
131.05057	1.1
133.02965	4.4
134.03801	6.2
135.04527	55.8
135.11861	1.2
136.01726	1.0
136.04919	2.6
137.02470	3.9
137.09666	1.9
139.00385	1.9
139.04010	12.7
142.27209	1.0
145.02972	4.4
147.04581	1.5
149.00912	13.8
149.02124	1.7
149.06044	1.3
151.00400	6.2
151.04063	1.2
152.01224	1.6
153.01961	1.1
160.01653	1.5
161.02472	12.8
161.04584	2.9
163.04013	6.6
163.05252	0.9
163.07524	1.2
167.03450	1.4
175.04033	4.0
176.01187	4.1
178.99904	2.8
179.03490	29.1
179.05806	1.3
179.10789	2.1
181.08693	6.6
183.13867	2.3
187.04045	1.1
191.03485	8.8
193.05057	1.9
197.11833	31.7
198.12186	1.7
201.09235	1.0
205.04803	1.5
219.02960	12.8
220.03612	1.1
231.03017	3.3
241.10799	68.3
242.11179	3.5
243.15906	2.0
275.01871	1.9
277.65222	1.2
283.13477	1.9
287.05618	3.5
293.03043	20.4
299.02032	1.5
311.12811	2.3
316.02197	1.3
325.23801	1.3
327.16141	2.8
331.04590	4.3
331.08270	2.9
343.25046	2.6
355.24771	5.4
359.14767	1.6
359.18771	1.9
371.15097	2.1
373.11371	54.8
373.25995	15.0
374.11847	3.7
415.23190	7.8
433.24500	3.8
475.28912	1.9
493.30423	1.3
535.17969	3.0
535.31342	81.8
536.31659	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	535.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.5
58.00581	0.5
59.01381	14.4
61.98833	1.6
69.74968	0.3
71.01386	3.2
72.99310	10.8
73.02943	1.2
75.00875	1.0
79.50778	0.3
81.38831	0.3
82.58501	0.3
83.01398	0.6
83.33167	0.3
84.28106	0.3
85.02956	1.1
87.00880	24.3
88.01262	0.5
89.02457	1.3
89.14410	0.3
97.02953	0.3
97.06566	0.3
98.19707	0.3
99.00888	0.3
101.02467	1.6
103.00386	6.2
105.01929	1.3
108.02172	0.3
109.02945	0.3
111.78972	0.3
112.98833	1.8
113.02437	0.8
119.05026	1.7
121.02905	0.4
123.04481	0.4
124.01684	0.3
125.02489	0.3
125.09578	0.2
130.99895	1.7
134.03760	0.8
135.04552	1.9
137.02463	0.7
139.00339	0.3
145.02945	0.9
147.04514	0.4
148.05289	0.4
149.00920	100.0
150.01241	2.0
150.03207	0.5
152.01234	0.4
159.04523	0.4
161.02460	0.6
161.06108	1.1
163.04057	1.0
165.05504	0.6
172.05241	0.6
176.88795	0.3
179.03543	1.1
183.04480	0.6
183.13940	0.4
186.06841	1.0
187.03986	0.6
187.07661	0.6
200.04749	0.4
203.03468	0.4
211.07721	0.8
214.06331	2.0
215.07162	0.9
229.08719	1.0
229.62207	0.4
255.13849	0.5
257.08008	0.5
271.09818	0.6
271.17020	0.5
274.08499	0.3
297.15082	1.4
307.11359	0.3
309.14917	0.7
311.12939	0.8
313.14508	0.8
313.23953	0.6
315.16019	0.8
327.16058	2.8
331.08026	0.7
331.11899	0.4
331.15402	2.4
331.24951	0.6
332.15909	0.4
341.13782	0.4
359.14975	13.5
359.18375	0.9
360.15506	1.2
371.14984	1.7
373.25925	1.5
385.12875	0.7
400.93982	0.3
402.26019	0.4
403.13605	3.7
403.18222	0.4
403.22964	0.5
404.14490	0.4
417.15771	0.4
493.30606	0.4
535.31519	10.9
536.12964	0.6
536.31677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98674	0.9
57.03453	3.4
58.00578	2.0
59.01381	100.0
60.01714	1.3
61.98832	38.0
65.00357	1.6
69.03461	1.3
70.92640	1.1
70.92973	1.6
71.01381	18.4
72.99310	18.0
73.02960	11.1
75.00864	1.2
83.01384	4.6
85.02959	7.4
87.00872	18.3
87.01342	1.3
88.01215	1.0
89.02442	9.5
93.03442	1.1
95.01403	2.1
95.33514	0.9
97.06618	1.8
99.00886	2.1
99.04534	1.8
101.02455	15.3
101.03070	1.1
103.00378	18.3
107.01421	1.2
109.02940	2.4
111.00890	1.2
112.98839	3.8
113.02444	10.1
114.91674	1.0
117.03490	1.2
119.03537	3.6
119.05070	1.6
119.97988	1.1
121.02963	1.0
123.04578	4.0
125.02467	2.8
130.99876	7.9
131.03528	1.2
132.02158	1.3
133.02992	2.3
134.03748	15.0
134.06134	1.7
135.04538	23.8
137.02478	3.5
137.09756	1.4
139.04042	1.7
143.03528	2.0
145.02975	2.8
149.00945	5.2
149.04645	1.9
149.06093	6.5
150.03206	1.8
151.00380	9.5
151.04001	6.7
152.01260	1.0
155.08336	3.7
159.04533	1.7
160.01694	1.2
161.02498	3.5
161.04575	4.0
163.04041	1.0
175.04073	3.0
177.02023	1.1
177.05608	1.5
178.02719	10.1
179.03551	10.8
179.05704	1.6
179.10854	1.0
192.04222	2.3
193.05067	27.7
193.06747	1.8
194.05507	1.3
197.04515	17.7
197.06075	1.3
203.03584	2.1
207.06650	6.8
221.04601	1.6
237.96086	0.9
255.06448	1.0
269.12994	2.0
285.04047	3.8
286.04248	3.1
287.05609	11.3
313.09677	1.1
337.09521	2.0
339.08109	1.7
355.25058	1.6
359.09866	17.2
359.14502	1.4
359.18976	2.3
360.10306	2.1
373.12048	3.2
373.26181	2.7
385.12265	3.7
401.12921	1.6
403.13730	9.5
404.14447	1.3
415.23438	4.7
429.21909	1.8
433.24774	2.0
475.29559	1.9
491.11340	4.3
492.11368	1.0
498.78500	1.0
517.30206	1.4
535.14276	7.2
535.31641	37.5
536.14771	1.9
536.32050	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54309	0.9
59.01381	16.1
61.98832	100.0
68.16464	0.8
70.80275	1.4
70.80608	1.6
81.62165	1.0
96.96067	1.1
119.25299	1.0
209.45909	1.0
306.57281	0.9
401.65146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
57.03453	4.2
58.00600	3.2
59.01379	100.0
59.82951	1.0
61.09706	1.0
61.98833	12.9
64.65469	1.1
65.00330	1.6
69.03477	1.3
69.66215	6.5
69.66619	2.2
71.01384	23.2
72.99323	8.6
73.02953	5.5
75.00899	1.9
81.03506	1.1
83.01405	3.3
83.05032	1.9
84.58890	1.2
85.02940	7.7
87.00879	30.9
89.02464	10.5
90.16167	0.9
92.68197	1.0
93.03438	1.6
95.01408	1.1
96.08849	1.1
97.02979	1.4
98.19832	1.1
99.00906	3.0
99.04549	1.8
101.02455	12.8
102.02856	1.2
103.00378	31.0
106.86484	1.2
107.01414	4.0
108.02222	1.3
109.02965	2.6
112.98815	11.7
113.02451	6.3
115.77326	1.0
117.03452	8.5
119.03545	3.7
119.05029	5.9
121.02969	3.2
122.03868	1.1
123.00894	1.8
123.04555	2.9
124.01672	8.5
125.02505	1.7
125.09824	1.2
130.99873	13.3
133.03011	1.4
134.03741	2.9
135.04532	27.3
135.05490	1.9
137.02486	2.4
139.04012	8.2
141.09274	1.4
141.72824	1.0
145.02957	26.4
146.03421	3.2
147.04544	2.5
149.00955	10.7
149.02423	11.5
149.06116	1.4
150.03252	4.5
151.00377	18.4
151.04060	1.9
152.01184	3.3
153.05656	3.1
160.01625	1.3
161.02510	3.8
161.04663	2.3
161.06067	2.7
163.03999	10.9
164.04788	7.9
165.02042	2.2
165.05595	5.6
167.03580	2.0
169.05127	1.5
173.02501	2.2
174.03226	6.9
175.04041	3.4
179.03517	8.1
179.07117	12.5
181.08794	1.4
185.11963	1.4
187.07776	1.6
191.03566	1.8
193.01447	9.9
193.05106	2.4
208.03780	22.3
211.07550	1.5
219.03064	1.9
223.06104	67.8
224.06627	2.4
237.07690	2.0
241.10922	4.4
285.20636	2.0
285.56976	1.1
287.05566	14.4
288.06070	1.3
293.03027	2.5
297.15045	1.6
311.13028	2.0
327.16144	2.1
331.08255	3.6
331.12051	16.6
355.24750	5.4
359.15146	11.3
359.18750	3.4
371.15048	2.5
373.15683	1.6
373.25937	10.4
385.13126	1.5
403.13699	11.0
403.17154	1.4
415.23358	2.0
475.29538	3.0
491.12338	5.6
491.18646	1.4
505.18787	1.2
534.24597	4.0
534.31372	1.7
535.18311	2.4
535.31592	66.5
536.32037	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	535.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03453	0.3
59.01382	7.5
61.98831	100.0
68.02525	0.5
69.50730	2.0
71.01386	2.4
71.05006	0.2
72.99318	1.0
73.02953	0.9
74.62144	0.2
83.01392	0.5
85.02962	0.8
87.00877	3.4
88.98847	0.4
89.02447	1.7
90.58037	0.3
99.00907	0.3
99.04504	0.3
101.02422	1.5
103.00371	1.5
109.02987	0.4
112.98820	1.1
113.02459	0.9
119.03562	0.3
119.05042	0.6
128.99294	1.1
129.99631	0.3
130.99872	0.3
134.03746	0.5
135.04520	1.8
137.02495	0.5
145.02948	0.6
149.00909	3.8
149.02119	0.4
149.06128	0.3
159.04555	0.3
161.02469	0.3
161.04633	0.4
163.04097	0.4
170.29822	0.3
173.06070	0.3
174.05470	0.3
179.03517	0.7
179.05670	0.5
187.04007	0.3
187.07616	0.4
193.05101	0.7
196.76141	0.3
211.07759	0.3
226.11183	0.3
241.10849	0.9
285.20663	0.4
287.09280	0.4
293.03162	0.4
309.14877	0.3
311.12943	0.5
315.58813	0.3
327.16025	0.5
341.14203	0.4
341.18066	0.4
355.24893	0.8
359.15009	0.8
359.18823	0.4
371.15305	0.5
373.26056	1.1
385.13098	0.5
402.22058	0.4
403.22281	0.5
403.27045	0.4
438.86234	0.2
449.27759	0.5
460.18701	0.6
475.29388	0.4
491.28891	0.7
493.30209	0.5
504.17844	0.4
535.23938	0.5
535.31348	6.4
544.02020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01801	0.5
58.02972	5.6
59.01096	0.7
59.01382	12.1
61.98829	7.0
69.94115	3.0
71.01380	6.0
72.00888	0.8
72.99323	1.1
73.02940	3.0
73.14733	0.5
74.02476	13.9
81.04554	0.5
82.02966	1.3
83.01395	0.8
83.05017	0.6
84.04572	0.7
85.02936	1.1
86.02477	5.1
86.99129	0.6
87.00885	2.9
87.05632	2.6
89.02448	4.5
90.00175	0.7
97.04073	0.9
99.00957	0.6
99.05643	9.2
101.02444	6.2
101.07200	1.4
102.05596	1.4
107.06157	1.0
109.02926	0.9
109.04062	1.5
112.04058	1.4
112.98802	2.0
113.02425	2.8
116.01784	0.6
119.03493	2.5
119.05019	1.2
120.01261	1.4
123.04537	0.8
123.05645	1.2
124.04048	1.1
125.03590	1.6
127.05154	2.1
128.03543	32.0
129.99712	0.6
131.04628	0.7
133.02950	1.7
134.76120	0.5
135.04514	7.3
135.05624	3.2
137.02444	1.4
137.07193	1.0
141.06723	2.4
143.04619	41.8
144.04970	0.6
145.02971	1.5
145.06166	2.3
146.04640	3.3
147.04527	1.3
149.00902	2.1
149.04665	0.6
149.06065	0.6
151.04001	1.0
153.06676	3.2
160.00746	12.1
161.02396	2.0
161.04570	2.1
161.05939	0.6
163.04015	1.4
166.02708	0.9
166.09872	1.5
167.04633	2.9
167.08238	1.1
170.03285	0.7
177.03374	4.4
179.03423	2.3
179.04739	7.5
179.10773	1.3
181.04962	1.3
181.06329	1.1
185.05704	1.1
189.05415	0.6
191.03539	0.8
192.07753	1.6
197.05659	0.8
198.08951	0.6
209.11818	1.3
210.08853	8.3
219.02939	1.7
223.13406	0.7
228.09898	0.6
235.54236	0.7
241.07190	2.2
242.07680	1.3
254.07834	9.5
254.10437	0.5
255.07922	0.9
272.08862	18.2
288.06638	8.5
293.03073	1.9
306.07648	100.0
307.07977	5.7
411.49438	0.7
534.21112	4.1
535.27728	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	534.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.3
58.97232	0.9
59.01382	16.1
61.98832	100.0
70.74500	0.9
71.01387	3.0
71.61660	1.7
71.62369	0.9
72.99301	1.6
87.00877	10.6
89.02480	1.2
103.00402	7.0
105.03472	3.3
111.91350	1.1
112.98824	5.9
121.02927	1.6
130.99867	2.0
133.02956	22.1
134.03748	28.8
135.04523	2.5
137.02467	7.2
139.04031	2.6
148.71431	1.0
165.12897	1.0
177.01933	26.1
178.02715	41.4
179.03494	2.0
183.13895	6.0
192.04289	8.7
225.14938	1.2
327.16092	2.0
359.18585	2.7
371.14899	1.7
403.12366	1.7
403.17609	27.3
471.25980	13.0
471.34665	4.1
472.26547	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	534.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56574	1.4
55.01851	1.8
57.03435	1.8
58.02973	7.1
59.01378	70.4
61.11411	1.8
61.98831	57.6
66.03468	1.3
69.47169	7.3
69.47595	5.2
70.91756	1.6
71.01387	16.5
71.53874	1.7
72.99288	1.8
73.02952	8.9
74.02470	13.8
81.04578	2.0
82.02978	2.0
82.14296	1.5
83.01379	3.7
83.05003	1.6
85.02954	4.8
86.02460	4.9
87.00880	2.7
87.05652	2.6
89.02451	8.9
95.01383	1.4
99.05647	11.1
101.02448	12.0
107.06107	2.4
109.04070	3.0
111.05591	1.7
112.98794	1.8
113.02434	10.5
119.03502	4.3
119.04985	2.2
124.22039	1.5
127.05166	2.5
128.03532	31.5
135.04514	10.6
135.05574	3.4
137.02461	1.9
138.06879	4.1
139.07639	2.0
143.03561	2.2
143.04617	41.7
146.04646	3.7
149.00908	5.5
150.22536	1.5
151.07645	2.4
152.08437	8.7
153.06699	2.4
153.09207	22.4
160.00716	11.2
161.04547	2.6
161.05934	1.7
166.09802	1.7
167.04590	3.1
167.08275	2.3
177.03378	3.8
179.03265	3.9
179.04648	5.9
205.12325	10.5
210.08865	8.8
223.13405	4.7
241.07130	2.2
254.07823	11.2
272.08871	19.1
288.06592	10.2
297.31180	1.8
306.07663	100.0
307.07892	5.7
327.15857	1.8
367.13446	2.2
367.17642	26.6
368.17957	3.6
385.18665	3.7
403.10150	2.2
427.19656	17.3
529.42267	1.5
534.21533	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	534.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76285	0.6
59.01369	1.5
61.98833	48.1
67.53390	0.7
67.95982	0.7
69.83544	3.6
71.01389	1.3
85.02916	0.8
87.00876	1.0
88.98827	2.1
89.03970	1.0
105.03473	1.9
108.02189	0.8
113.02498	1.2
113.60826	0.7
133.02966	7.2
135.04514	1.6
149.00940	0.8
149.20840	0.7
152.01202	1.3
161.02399	1.4
163.03999	1.1
176.01064	0.7
177.01927	100.0
178.02312	3.7
179.03503	1.1
192.33812	0.7
194.08229	1.2
209.04555	1.1
210.07724	1.4
317.69449	0.7
471.11426	27.7
472.11752	1.8
475.91315	0.7
534.15643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
61.98833	86.2
69.31357	0.6
71.01389	0.5
71.13100	0.9
87.00880	0.6
88.98789	0.6
89.03978	0.9
93.03528	0.6
105.03471	2.0
128.03578	0.6
133.02962	6.7
135.04546	1.0
146.01173	0.5
149.00917	0.5
149.02467	0.9
152.01169	0.6
161.02472	1.3
177.01933	100.0
178.02264	4.0
204.55434	0.5
210.07706	0.6
275.66632	0.4
293.22464	0.5
454.08456	0.5
471.11542	10.6
472.11523	1.0
500.12088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86624	0.6
59.01094	0.7
59.01378	8.1
61.98837	4.1
63.14226	0.5
65.00295	0.7
67.67530	0.4
69.86292	0.6
71.01391	2.7
71.61382	0.9
72.26676	0.5
72.99313	1.2
73.02953	0.6
85.02963	0.9
86.02473	8.1
87.00883	2.4
88.04043	2.0
89.02438	2.0
91.05527	1.2
99.00889	0.9
101.02454	2.1
103.00381	0.8
105.03522	0.7
107.05036	2.5
109.02962	7.4
112.98830	0.5
113.02451	1.6
117.03487	0.7
119.05024	0.9
121.02943	1.3
122.03754	6.2
123.04533	10.9
124.01684	1.3
125.02437	1.0
132.02177	1.9
133.02960	32.7
134.03741	1.8
135.04529	57.3
136.04869	1.7
137.02449	1.6
139.56754	0.6
147.04608	0.8
148.07690	1.5
149.00914	2.1
149.06090	1.0
150.05695	0.7
151.00371	1.8
151.04013	1.3
154.02733	1.9
160.04025	2.8
161.02446	100.0
162.02797	4.0
163.04012	0.8
164.07132	1.3
177.05565	1.3
179.03494	43.8
180.03839	1.6
194.08253	3.3
210.07716	85.4
211.08029	4.2
221.04451	0.7
241.10751	0.9
269.00970	0.6
300.02725	2.4
323.07733	11.3
343.58142	0.5
372.13025	72.6
373.13330	4.4
403.10327	0.9
419.04260	0.7
454.08350	5.4
534.16089	33.4
535.16425	5.3
535.23523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3845
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
54.26038	0.7
59.01382	100.0
60.01723	1.4
60.02932	0.7
61.98829	3.0
66.68668	0.7
71.62479	1.1
74.78188	0.7
78.95920	2.8
80.80042	0.8
111.08294	0.7
139.89680	0.7
166.79036	0.8
180.90001	1.0
192.08769	0.7
196.89499	7.3
199.13460	0.8
241.10715	1.0
312.74298	0.7
365.26938	1.3
473.36389	15.9
474.36655	2.2
533.39404	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3848
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
53.44782	0.5
55.80658	0.5
57.03460	0.8
57.95515	0.5
59.01381	100.0
60.01700	1.1
61.25854	0.5
61.98833	6.2
69.17640	0.6
71.01387	0.8
71.10167	0.7
71.10498	0.9
76.20428	0.6
88.49017	0.5
97.06568	0.9
99.92630	0.7
112.98865	0.6
113.60348	0.6
116.92879	1.1
142.96384	0.6
143.04791	0.6
148.90353	0.6
172.38583	0.6
181.74263	0.6
184.28757	0.6
275.62170	0.6
289.18143	0.6
373.43127	0.6
473.36337	17.6
474.36905	2.1
533.19189	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.203
Annotation	3,4,7-Trihydroxy-5-methoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01376	3.6
60.72158	0.3
61.98823	0.7
71.01386	1.5
71.73431	0.4
72.99281	0.4
79.05518	0.5
81.03451	0.4
83.01395	0.4
83.04920	0.3
85.02957	0.9
87.00867	0.4
89.02437	0.4
101.02437	1.0
105.07079	2.4
107.05053	1.1
109.02953	0.9
112.98836	1.2
113.02502	0.4
119.05072	0.6
121.02957	1.8
122.03761	0.7
123.00888	0.9
123.04522	9.7
123.05351	0.7
124.01659	1.5
125.02473	0.6
128.17242	0.4
134.03731	1.4
135.04529	15.4
136.01680	1.0
137.02441	1.5
138.03223	1.0
139.04001	1.8
145.02933	0.5
147.04517	2.8
148.05310	1.3
149.02457	1.7
149.06085	23.6
150.03226	18.6
150.06433	1.2
151.03773	0.5
161.02429	0.7
161.06073	1.9
162.03264	0.7
163.04036	3.7
163.07652	0.8
165.05557	11.6
166.05920	0.5
173.06096	0.4
175.07678	1.1
177.05522	0.6
179.03506	0.8
183.36131	0.4
191.07146	0.4
193.08704	8.3
194.09084	0.4
201.09219	2.0
203.07060	0.4
205.08688	3.9
219.10249	28.7
220.10555	1.0
231.10385	0.4
241.08504	0.4
253.25952	0.4
257.07904	0.4
267.06631	0.8
268.07574	0.6
269.08163	0.6
270.05429	0.9
271.06067	2.0
283.06314	0.4
284.06805	0.6
285.07571	3.1
286.08417	6.4
287.09015	0.6
300.10153	0.6
301.10803	4.0
305.42899	0.4
338.11517	0.8
369.13452	0.5
371.14981	100.0
372.15344	9.0
419.46649	0.4
473.30908	0.4
533.20288	14.1
533.29126	1.3
534.20740	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	533.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54798	0.5
56.68623	0.4
59.01099	0.5
59.01382	7.7
60.01744	0.5
61.98819	1.1
69.26797	4.9
71.01388	2.2
72.99288	0.6
73.02929	0.9
79.05535	0.7
85.02965	1.5
87.00857	1.8
89.02432	1.3
89.27383	0.5
93.03439	0.6
97.02927	0.4
101.02441	2.0
104.05279	0.5
105.07076	2.0
105.82730	0.5
107.05029	0.8
108.02165	0.5
109.02954	1.2
112.98805	2.1
113.02446	1.6
119.04993	0.7
121.02971	4.5
122.03722	0.7
123.00868	0.9
123.04531	10.7
124.01646	1.9
124.04847	0.8
125.02429	0.8
133.02971	0.8
134.03719	1.8
135.04538	16.5
136.01668	0.5
137.02444	1.1
138.03168	0.5
138.12630	0.4
139.04010	1.8
145.02966	0.7
147.04533	3.1
148.05255	0.9
149.00940	0.4
149.02440	1.9
149.06084	24.9
150.03232	18.1
150.06454	0.6
151.03944	0.8
161.02432	1.6
161.04707	0.7
161.06075	1.8
162.03166	0.5
163.04012	4.0
163.07640	0.8
165.04306	0.8
165.05580	11.8
173.06039	1.1
175.03992	0.7
175.07648	1.7
177.05644	0.7
178.02769	0.5
179.03487	1.6
185.06012	0.6
193.08708	8.5
199.07567	0.9
201.09219	2.6
205.08701	3.2
215.07162	0.5
219.02910	0.5
219.10260	24.6
220.10574	1.7
227.07170	1.3
227.12846	0.6
244.07352	0.5
251.41222	0.5
267.06613	0.5
268.07510	0.7
269.08212	1.1
270.05280	0.6
271.06085	1.2
283.09753	0.5
285.07648	3.1
286.08441	6.5
293.03156	0.7
301.10822	5.7
324.18607	0.5
325.14471	0.6
350.66650	0.5
353.14102	1.0
369.13507	1.4
371.14987	100.0
372.15323	8.3
382.73300	0.6
401.25354	1.0
473.31058	0.7
533.20325	14.9
533.28748	1.3
534.20697	1.7
534.30157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31196	0.4
59.01381	7.8
61.98835	3.3
69.71671	0.8
69.72067	1.5
78.95903	24.0
96.96976	1.0
99.92602	0.5
106.07320	0.5
116.92854	1.0
152.99594	4.4
178.88429	5.0
179.89217	4.6
180.89978	7.9
194.87842	0.8
196.89482	100.0
197.89499	4.1
232.61386	0.5
234.91014	0.6
252.91983	0.5
269.73962	0.4
365.26859	1.0
459.12601	0.5
515.15100	0.6
533.16119	8.0
533.28717	0.7
534.16376	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95307	0.7
57.03439	1.3
58.94543	0.9
59.01377	49.5
60.99300	2.9
61.98828	8.1
71.01381	10.4
71.62021	1.5
72.99289	2.1
73.02947	2.6
74.99117	1.2
75.00866	1.0
82.75713	0.9
83.01397	1.6
85.02959	3.2
86.02474	2.2
87.00877	20.7
87.04547	0.9
88.04039	0.9
88.98800	19.3
89.02432	8.3
90.41849	0.8
93.03472	2.6
95.04965	1.1
99.00868	2.1
99.04527	0.9
99.92581	0.9
101.02444	8.2
102.15529	0.8
103.00362	2.6
106.04268	1.0
106.57151	0.9
107.05035	12.4
108.02164	2.7
109.02962	2.6
112.98805	2.5
113.02431	4.5
113.04269	0.9
115.00352	0.9
116.92850	1.9
119.03481	2.2
119.05023	3.8
121.02969	3.8
124.01647	1.4
125.02419	1.6
131.03535	1.8
133.02962	2.1
133.05083	1.6
134.26279	1.0
135.04526	8.6
137.02434	1.5
143.03459	1.0
145.02933	2.4
146.03249	0.9
147.04431	4.2
149.00905	12.6
149.04543	3.7
149.99582	2.1
151.03995	1.2
152.01128	4.0
153.01840	1.1
160.01654	1.1
161.02423	2.5
161.04572	3.0
163.04033	3.0
164.04771	1.0
165.37529	0.9
168.00647	4.9
175.04001	1.1
177.01950	2.5
179.03491	100.0
180.03841	5.0
189.27573	1.0
190.02705	1.6
194.08226	21.0
203.03476	1.3
205.05209	1.1
283.06161	1.1
297.07568	1.1
313.10693	1.7
354.36884	1.0
357.09683	6.9
371.10074	0.9
372.09232	1.3
399.09067	1.7
402.15594	1.2
413.21841	2.4
427.77609	0.9
473.24054	1.3
515.15869	1.1
533.14532	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	533.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60709	0.6
57.17209	0.5
59.01370	1.4
67.84473	0.7
69.67403	4.2
69.67723	1.0
70.36184	0.6
71.01389	14.0
72.99301	1.1
85.02956	1.8
87.00881	11.5
87.04519	2.1
89.02456	6.1
96.25542	0.6
99.00906	1.1
101.02447	0.7
108.02182	47.1
108.31261	0.6
109.02311	1.0
109.02970	14.7
109.03675	1.1
113.02448	0.8
123.00789	0.7
123.04535	0.9
133.05077	48.0
134.05392	1.1
137.02602	0.6
143.15178	0.7
152.01157	100.0
153.01836	4.5
163.04028	2.8
171.19275	0.6
175.03987	0.7
177.01917	0.7
178.73013	0.6
179.03502	1.5
205.04799	0.7
207.39668	0.6
232.37177	0.6
267.05142	1.2
279.57974	0.7
285.06253	1.3
399.09314	55.7
400.09619	4.1
417.10370	15.4
482.82422	0.7
489.12640	5.0
529.38824	0.6
533.15131	89.9
534.15509	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	533.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92915	0.6
59.01373	2.8
61.98824	1.2
65.28632	0.6
65.47211	0.6
69.03424	0.8
69.83502	3.3
71.01381	3.8
72.99293	1.0
73.02941	1.3
75.00864	3.1
83.01392	1.8
85.02926	0.7
87.00878	1.8
89.02463	0.7
97.02972	0.7
99.00904	1.8
101.02441	0.9
108.02176	4.0
109.02953	15.6
110.03330	0.6
111.00903	4.1
115.00381	1.0
116.92860	0.7
121.02959	1.7
122.03768	0.7
123.04545	1.7
125.02464	3.2
129.01904	1.7
133.02948	2.5
133.05058	4.2
134.03755	1.0
135.04526	32.2
136.04831	0.7
137.02422	1.7
138.04678	0.6
139.03972	1.3
143.04964	0.6
145.02992	1.1
147.04530	9.7
148.05312	4.7
149.00949	0.7
149.02425	2.6
149.06078	17.2
150.03229	0.9
152.01152	7.6
159.02937	1.1
159.04503	1.8
161.02449	6.4
161.06052	5.2
162.03189	2.5
163.03986	5.0
163.07700	1.2
165.05505	1.0
173.06076	2.5
174.03217	1.6
175.04005	12.7
176.04713	2.6
177.01967	3.7
177.05589	3.0
179.03496	3.9
185.04564	1.4
187.03976	1.4
189.05562	11.3
191.03461	1.8
191.07132	5.9
193.05072	11.0
195.06604	1.7
203.03459	1.9
203.07120	2.2
205.05022	2.9
207.06683	0.8
217.05064	12.8
218.05193	0.7
219.02928	4.5
221.04562	16.5
235.06100	10.1
236.06648	0.9
237.04016	7.0
251.05630	1.3
259.95169	0.7
265.23477	0.6
277.07230	1.9
279.05121	5.2
295.08255	7.5
302.00687	0.6
314.89227	0.6
339.07190	100.0
340.07578	5.7
383.09811	1.8
399.09238	5.1
400.09369	0.7
417.10410	1.3
501.12515	16.6
502.12793	1.9
533.15326	8.7
534.15222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03463	0.8
59.01099	0.9
59.01383	15.2
60.01740	0.7
61.98827	3.0
71.01382	19.6
71.61629	1.2
72.99296	3.2
73.02940	3.6
75.00871	2.0
81.03448	0.9
83.01393	1.1
85.02948	3.5
87.00873	13.9
87.04522	2.5
89.02441	9.8
93.03462	0.9
95.01376	1.9
96.96002	1.0
97.02926	1.0
98.64097	0.8
99.00889	1.5
101.02438	3.2
108.02180	42.9
109.02972	14.7
109.10290	0.7
113.02463	3.7
116.92842	1.0
119.03581	0.8
121.02901	1.7
122.03822	1.1
123.00888	1.1
123.04554	1.3
133.02982	2.0
133.05074	47.1
134.03677	1.1
134.05492	0.9
135.04578	3.8
137.02428	1.0
149.00914	4.2
149.28523	0.7
151.03979	1.4
152.01149	100.0
153.01891	5.3
159.04440	1.0
160.04099	0.9
161.02446	2.3
161.04561	1.7
163.03966	2.7
164.04759	0.9
165.05417	0.9
175.03976	1.8
177.01962	1.1
178.08711	1.3
179.03413	3.3
179.07150	1.4
191.05673	0.9
193.04936	0.9
193.30234	0.8
194.08188	1.8
241.07137	1.0
285.06073	1.7
298.08084	1.0
299.01865	0.9
329.06839	2.2
344.18695	0.9
357.09888	3.2
371.11948	2.0
399.09335	55.7
400.09485	4.4
417.10394	14.3
418.10522	1.0
435.11960	1.3
489.12347	5.4
533.15082	87.4
534.15283	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85181	2.2
50.85837	2.4
51.51722	2.2
57.03457	3.6
58.07512	2.5
59.01092	4.9
59.01381	89.8
61.98822	7.3
69.34131	2.6
69.44556	19.6
71.01381	30.1
72.99312	4.1
73.02955	8.5
75.51340	2.9
83.01385	3.7
85.02950	9.6
87.00903	13.1
89.02450	12.3
95.01398	3.5
99.00883	8.8
101.02443	11.1
103.00378	3.7
109.02958	4.7
112.98816	18.8
113.02452	13.0
119.03529	4.5
119.04993	4.6
121.02975	5.8
125.02408	4.2
130.99898	2.7
133.02951	5.3
135.04538	29.0
135.96654	2.6
136.04816	2.7
145.02924	4.9
149.00908	7.4
149.04642	4.8
149.06030	3.6
150.03209	5.6
161.02467	24.1
161.04578	4.4
162.02867	2.7
163.04019	7.5
173.06027	4.2
178.02321	3.2
179.03448	13.3
179.05594	2.9
183.13895	3.2
185.06055	3.3
190.05873	2.6
209.07376	3.2
219.03036	3.6
219.10370	3.9
227.13040	6.5
241.05069	3.6
269.04477	8.0
269.13971	3.9
270.05350	63.6
285.07693	100.0
286.08054	8.5
287.14841	4.2
293.03079	7.7
314.02682	3.4
361.66556	3.0
369.13257	6.8
371.14935	13.0
371.24200	5.2
401.25134	5.6
416.85596	2.8
473.31577	5.4
489.14377	5.7
489.23532	4.4
532.28790	5.0
533.18976	4.9
533.29742	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	533.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.5
57.33248	1.4
58.00581	3.8
59.01381	100.0
61.98817	4.2
69.61378	9.9
71.01383	13.9
72.99312	7.0
73.02930	4.1
75.00883	1.6
76.53146	1.3
77.18021	1.4
83.01399	3.8
85.02961	2.9
87.00880	44.1
89.02439	8.0
97.55564	1.6
98.19917	2.7
99.00875	1.9
101.02436	7.3
103.00373	32.6
107.01359	2.3
108.02189	1.5
109.02975	3.0
112.98807	9.0
113.02464	4.2
119.03483	3.7
119.05029	4.3
123.04533	1.7
130.99884	12.4
133.02954	7.7
134.03716	2.5
135.04535	10.6
137.02426	2.0
145.02950	3.4
147.04521	5.9
148.05298	4.6
149.00909	14.2
149.02118	1.6
151.00328	3.5
151.03987	2.4
159.04485	1.5
161.02454	4.0
161.04518	3.2
163.03978	3.9
175.03937	2.4
176.04735	2.1
177.01941	2.3
179.03485	7.0
179.05688	1.5
179.07187	1.9
189.05585	1.6
189.09262	1.5
191.03493	7.6
191.07137	6.2
193.04982	3.7
194.05734	1.7
199.04016	2.0
205.12436	1.9
206.05864	1.8
213.05605	1.5
219.02966	3.2
220.03766	1.9
224.03203	1.8
226.06450	1.7
235.06258	3.3
237.05556	3.3
238.04626	2.3
238.06712	1.8
239.09236	4.9
250.06343	3.7
251.07065	1.7
253.08488	1.8
254.05676	2.8
255.02927	1.9
256.03781	2.6
257.04663	1.7
265.05240	2.3
266.05768	2.6
267.03033	4.9
277.04993	2.1
278.05939	2.2
279.06601	3.6
280.07336	1.8
281.04614	2.4
282.05231	8.8
283.10236	1.8
284.03256	44.4
284.06396	2.4
285.04025	64.8
286.04440	4.6
293.02969	1.8
294.05264	4.1
294.08731	2.0
295.05957	2.1
297.07590	11.1
308.06924	1.9
309.04291	1.9
309.07611	3.8
310.04926	2.1
312.10059	5.6
322.04904	6.7
323.05609	1.9
324.06558	7.0
325.06985	2.4
336.06357	2.6
337.07144	19.5
338.07840	5.1
339.08707	8.6
341.06653	5.9
351.08670	1.8
352.09430	7.2
353.06696	20.5
354.06946	1.8
356.09009	13.3
357.09552	4.1
357.13464	3.4
368.09036	9.8
371.11349	49.1
372.11740	6.7
383.11337	73.1
384.11566	8.1
394.97089	1.8
401.07370	2.7
401.12415	56.4
401.17722	3.1
402.12686	5.1
473.23813	2.8
489.10327	63.8
490.10983	7.5
533.14752	1.5
533.22791	5.5
533.29584	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	533.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23803	1.0
57.03440	4.9
59.01383	66.1
61.98827	8.7
71.01382	17.1
71.62716	1.4
72.99309	10.6
73.02941	6.5
75.00862	1.3
83.01402	3.5
83.88494	1.1
85.02946	4.7
87.00877	31.1
89.02450	12.1
91.01912	1.8
93.03439	2.1
96.95992	1.1
97.02966	1.3
99.00867	1.5
99.04504	3.2
101.02452	13.1
103.00360	9.4
107.05025	1.9
108.02177	1.9
109.02957	21.8
110.03207	1.2
112.98824	6.2
113.02470	8.7
115.00399	1.5
119.03477	3.4
119.05041	5.8
121.02966	2.7
123.04532	1.9
124.01738	1.4
125.02430	3.7
127.38017	1.3
128.03607	1.2
129.03482	7.4
130.99864	4.0
131.03418	1.6
133.02940	9.4
134.03719	4.0
135.04530	41.1
136.04852	1.3
137.02402	2.6
139.04031	1.6
143.03543	1.6
145.02956	21.7
146.03748	26.0
147.04524	100.0
148.04863	4.7
149.00922	86.3
149.06099	3.0
150.01227	1.4
150.03128	1.5
151.03979	2.3
152.01120	1.4
159.04515	3.5
161.02466	8.1
161.04521	3.9
161.09561	1.2
162.03217	2.4
163.03937	3.5
167.03450	1.3
173.02411	8.4
174.03201	7.5
175.02542	1.8
175.04004	2.8
176.04752	3.2
177.01884	4.5
177.05493	3.0
178.02634	2.7
179.03496	50.6
179.05762	2.1
179.10727	2.0
179.55460	1.2
180.03841	1.6
188.04805	8.0
189.05588	8.3
189.09317	1.3
191.07117	1.6
199.07628	1.2
203.03453	1.6
203.07199	7.3
207.10199	2.6
221.04530	1.9
223.13396	11.3
227.03526	3.4
229.01456	1.4
239.05551	10.9
253.05128	1.6
254.33714	1.2
255.02834	1.8
265.05020	3.0
267.03000	2.5
267.12463	6.0
270.01563	2.1
271.02423	6.9
281.04550	3.3
282.05261	11.9
283.06039	8.8
283.10089	1.8
285.04019	1.7
296.03745	1.5
296.06766	7.2
297.07648	19.6
298.08365	7.3
298.86728	1.2
299.02014	11.0
306.07639	1.5
311.04004	4.1
311.09320	2.6
313.03439	3.9
313.10782	33.2
314.04355	21.1
314.11160	1.7
315.04617	1.6
329.06641	21.9
330.07239	1.4
357.09790	33.7
358.10150	2.4
383.07657	5.6
401.12320	3.4
401.18112	5.3
413.21494	2.3
533.12891	17.9
533.22180	5.1
534.13989	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	532.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.5
61.98832	100.0
63.95487	0.6
70.11605	2.5
78.95899	1.3
113.52978	0.6
132.05827	0.6
152.99548	0.6
196.89552	2.1
197.89587	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65104	0.7
58.00592	0.8
59.01379	25.6
61.98826	0.9
63.02400	1.8
65.00323	1.3
69.50499	6.3
72.99302	1.1
83.01376	1.5
87.00883	10.7
89.02456	1.0
98.20627	0.9
101.02442	1.4
103.00368	9.6
107.01375	1.9
109.02964	0.9
112.98832	1.9
119.05017	1.0
130.99855	2.8
133.02924	3.5
147.04477	0.9
149.00888	2.7
149.02402	1.4
151.00404	4.1
175.03976	2.0
179.03522	1.0
199.03963	1.7
211.03966	0.9
217.05106	0.8
227.03424	1.8
255.02965	1.6
256.03748	3.8
267.02951	1.1
269.04428	1.0
279.06696	1.0
282.05151	1.4
284.03250	68.6
285.04028	100.0
286.04340	5.7
293.08124	0.8
297.07571	2.3
309.07632	1.0
311.69742	0.8
312.10223	1.3
322.04614	1.0
324.06284	1.4
327.05029	1.1
337.07083	4.7
339.08408	0.8
341.06732	1.8
352.09686	1.6
353.06650	4.5
356.08987	2.9
368.09183	2.1
371.11285	10.9
383.11386	15.5
384.11343	1.0
401.12360	5.9
447.09042	1.2
448.18848	1.0
489.10379	92.7
490.10757	10.6
510.75653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17910	0.9
57.01535	0.8
57.03444	1.0
59.01130	1.1
59.01384	12.5
61.98838	1.6
65.19941	0.9
70.43346	2.9
71.01374	3.9
72.99301	4.3
73.02939	1.1
76.05709	0.8
85.02909	1.2
87.00872	13.7
89.02428	2.7
91.01884	3.0
101.02441	2.1
103.00372	2.2
105.01936	1.0
108.02168	1.3
109.02956	32.4
112.98784	1.4
113.02469	2.0
117.03452	0.9
119.03578	0.8
119.05071	4.4
121.03001	1.3
125.02429	1.4
127.43078	0.9
129.03467	7.4
130.04237	1.3
130.99834	4.0
133.02962	1.4
134.73430	0.8
135.04506	2.1
137.02422	0.9
145.02954	14.5
146.03758	24.8
147.04524	100.0
148.04854	3.3
149.00917	23.5
149.06099	1.2
151.03958	1.0
159.04506	4.1
161.02454	8.3
161.04608	1.6
161.05986	1.7
162.03183	3.5
173.02435	9.7
174.03210	12.0
176.04828	5.4
177.05505	1.1
179.03519	1.8
188.04799	12.5
189.05559	16.7
191.07098	1.7
201.23293	0.9
203.03470	3.3
203.07153	9.6
207.06625	1.3
229.01364	1.0
237.05539	1.5
265.05020	1.8
281.04605	2.6
282.05316	18.5
283.06082	9.4
296.06946	9.5
297.07669	39.2
298.08295	9.5
303.49261	0.9
311.09207	4.0
313.10815	36.2
314.11075	1.5
333.81891	0.8
339.08554	1.0
357.09818	35.6
358.10104	3.5
383.07532	5.8
383.11633	0.9
401.07892	1.0
401.12732	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03444	4.0
59.01381	100.0
60.01708	1.0
61.98837	2.6
64.72337	0.7
69.03445	1.2
69.71149	3.4
71.01385	28.5
72.99313	1.0
73.02945	9.1
73.45203	0.7
83.01377	3.5
85.02956	6.3
87.00867	4.2
87.04518	1.2
89.02454	8.5
89.06089	3.0
93.03468	2.3
95.01409	1.3
96.93459	0.7
96.96013	1.8
97.02944	1.0
99.00866	1.8
99.04548	2.1
101.02443	13.3
106.04247	1.0
108.02166	0.8
109.02958	1.0
112.98804	3.9
113.02457	9.3
115.93885	0.7
119.03502	2.3
119.05028	2.5
121.02975	4.9
123.32908	0.8
125.02449	1.6
132.02217	1.4
133.02957	1.7
134.03764	4.6
135.04539	11.1
137.02431	4.1
141.49327	0.7
143.03549	1.8
145.02998	1.8
146.03725	0.8
149.00925	2.3
149.04451	0.7
149.06108	2.9
151.00471	0.8
151.04088	0.9
159.04543	1.3
160.01674	5.6
161.02533	3.9
161.04564	6.8
163.03993	4.4
165.01903	1.5
166.02742	1.4
175.03973	7.0
176.04366	0.9
177.05530	0.9
177.18510	0.7
179.03500	5.1
181.05103	1.3
191.01831	0.9
192.99620	3.8
193.05075	2.5
203.03535	2.7
207.10304	0.9
209.02753	10.3
223.13428	2.7
233.10394	1.1
237.07652	5.4
251.11353	19.6
253.01784	3.9
267.12457	2.2
269.01437	0.8
271.02548	1.6
281.12381	0.7
291.08676	1.3
293.03000	0.9
295.02756	5.8
300.02679	4.3
301.03519	2.5
309.11414	2.7
325.10944	1.6
337.09186	3.5
369.22760	1.0
381.11929	25.4
382.12363	2.5
383.12717	0.7
387.14719	2.6
387.19849	0.8
399.12625	1.2
463.08850	4.1
487.16217	1.5
531.17120	0.9
531.28064	3.7
540.31702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29600	0.3
57.03434	0.9
58.00594	0.4
58.97983	0.3
59.01377	14.8
61.98818	0.9
62.84862	0.4
71.01383	6.8
71.22031	0.6
72.99294	0.4
73.02949	1.0
73.57970	0.3
83.01392	0.9
85.02982	1.6
85.03391	0.3
87.00867	1.1
89.02444	6.0
91.04000	0.3
91.67428	0.3
95.01412	0.4
101.02443	6.4
113.02455	4.0
113.09731	1.6
115.07553	0.3
119.03506	1.7
127.11295	0.3
133.05043	0.3
138.76762	0.3
143.03506	0.5
161.04544	3.3
171.10286	2.2
179.05550	1.0
179.14362	0.8
181.12314	0.5
195.13907	13.4
196.14268	0.8
235.08249	0.4
253.09280	28.1
254.09641	1.2
277.21701	15.0
278.22107	1.2
294.21405	0.4
295.22766	100.0
296.23111	7.0
392.17453	0.3
471.33450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01381	19.8
61.98828	2.6
64.41846	0.5
65.27335	0.5
71.01381	6.3
73.02940	1.2
78.95898	0.6
83.01392	0.7
85.02942	2.0
87.00871	1.1
87.50463	0.4
89.02448	5.1
95.01372	0.6
97.06607	0.7
100.08447	0.4
101.02445	6.3
104.80128	0.5
113.02451	4.2
113.09735	1.6
119.03506	1.1
135.04425	0.6
143.03467	0.7
161.04544	3.5
163.11127	0.5
179.05626	1.1
179.14360	1.0
195.13895	14.0
196.14139	0.9
253.09291	25.4
254.09645	1.1
277.21719	13.7
278.21976	0.6
295.22778	100.0
296.23105	7.7
382.94196	0.5
471.33301	1.5
489.34372	1.9
531.28290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.4
57.03454	3.0
58.00603	4.4
59.01382	100.0
60.01699	1.2
61.98827	4.8
68.99811	1.6
69.03468	1.3
71.01386	30.4
71.01765	2.1
72.74192	1.0
72.99311	7.9
73.02950	11.3
75.00897	1.2
76.98193	1.0
79.29762	1.0
83.01399	2.9
84.99327	3.6
85.02947	9.0
87.00880	29.4
89.02444	30.1
93.03475	1.5
95.01406	1.5
96.96031	1.5
97.02962	2.1
99.00885	10.8
99.04543	1.2
101.02451	21.7
103.00379	33.1
105.69639	1.0
107.05073	1.9
109.02972	5.1
111.00939	1.6
112.98819	23.2
113.02441	13.1
117.03424	1.5
119.03501	5.1
119.05036	12.6
119.60051	1.0
121.02943	1.9
121.06539	1.1
123.04502	1.7
125.02425	2.3
127.00375	5.2
130.99873	27.8
131.03485	7.3
133.02945	10.1
133.05099	1.2
134.03728	4.6
135.04530	70.5
136.04858	2.0
137.02483	7.6
139.00383	3.2
139.04042	1.4
143.03520	2.3
145.02942	5.5
147.04539	3.8
149.00963	4.7
149.02370	1.0
149.04564	17.2
149.05923	1.6
150.03217	3.6
151.07669	2.3
159.08177	4.1
161.02460	21.4
161.04521	7.0
161.05775	1.5
162.02904	1.4
163.04010	17.9
165.05594	2.8
173.02367	1.2
175.03964	1.1
176.01173	4.9
177.05641	2.3
177.09210	7.4
179.03502	37.7
179.05212	1.9
180.03798	1.6
189.01833	1.4
191.03526	10.7
191.05612	3.2
193.08733	1.5
197.11861	3.0
203.03546	5.1
203.05411	1.4
205.05154	2.0
219.02986	23.1
220.03462	1.4
221.04541	1.7
223.13344	2.2
228.97089	1.1
231.02979	3.5
237.07648	9.7
241.10849	1.6
267.12640	1.4
275.01999	3.7
277.03497	6.5
293.03033	27.3
294.03479	1.4
309.20624	1.1
351.21564	1.3
369.08267	11.7
369.13437	17.0
369.22787	2.3
370.13434	1.4
399.23810	7.1
463.08710	1.2
504.31158	1.2
519.24176	1.4
530.32928	1.6
531.19019	4.6
531.27869	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	531.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79284	0.3
52.68575	0.4
55.01888	0.4
59.01381	9.4
61.98830	1.9
69.03471	0.4
69.38235	2.8
71.01379	4.6
72.99296	0.9
73.02940	2.1
83.01397	0.9
85.02966	1.8
87.00882	1.9
89.02442	3.1
93.03436	0.4
95.01405	0.4
95.97910	0.4
97.02929	0.6
99.00860	1.4
99.04496	0.4
101.02450	3.3
103.00393	1.1
109.02953	1.0
112.98823	2.8
113.02447	1.5
115.04016	0.4
119.05009	1.8
121.02997	0.9
123.00903	0.5
124.01673	4.5
125.02450	1.6
131.03477	0.5
133.02936	0.5
133.44760	0.4
134.03699	0.8
135.04549	3.3
136.01620	1.1
137.02429	0.8
138.03256	2.1
139.00391	0.4
139.04012	5.3
140.27863	0.4
145.02979	0.3
149.00906	0.5
149.02437	2.8
149.04584	1.3
149.06082	0.4
150.03226	30.5
151.03697	0.9
159.04442	0.4
161.02425	1.4
161.04524	0.7
162.03279	0.5
163.04013	1.8
165.05566	26.4
166.05896	0.7
171.10248	0.4
173.06076	3.6
177.05576	0.7
179.03503	2.0
186.06856	0.7
189.09335	0.4
191.05620	0.5
191.07193	2.6
193.05070	0.5
199.07642	21.8
200.07965	1.1
203.07159	0.4
209.11803	0.4
211.02043	0.4
217.08684	16.7
218.05824	1.6
218.08968	1.1
219.03015	0.7
233.04593	0.4
236.06848	1.1
271.15231	0.4
293.03137	0.6
311.09546	0.5
319.09726	2.1
321.07764	0.9
325.27585	0.9
335.09390	0.5
336.10016	0.9
337.10864	2.7
339.08783	3.1
351.12271	2.1
353.10159	1.2
354.11078	8.2
355.11215	1.0
369.13409	100.0
370.13687	9.2
399.23700	1.3
531.18689	14.9
531.31348	4.8
532.19312	2.0
532.32166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
59.01382	33.9
61.98825	1.5
63.98074	0.6
68.99828	1.7
71.01384	9.6
72.99323	3.7
73.02946	4.8
83.01408	0.8
84.99329	3.2
85.02962	3.0
87.00880	13.5
88.80185	0.6
89.02440	4.0
89.03963	0.6
91.05540	0.8
95.01405	1.0
96.99328	0.9
99.00912	1.9
99.04529	1.0
101.02429	5.6
103.00379	11.3
107.05038	1.6
108.02180	1.4
109.02956	7.7
111.00881	1.3
112.98817	22.5
113.02478	4.6
117.03477	1.9
119.03545	1.0
119.05032	3.9
121.02939	1.6
123.04571	0.9
123.08190	0.8
127.00366	5.5
130.99873	9.0
131.03511	1.3
132.02191	2.5
133.02045	0.9
133.02965	10.1
134.03746	8.7
135.04532	100.0
136.04863	3.3
137.02440	7.7
139.00394	5.1
145.02963	4.6
147.04538	1.6
149.04550	1.5
149.06097	2.1
150.03253	1.3
151.00377	0.8
151.04047	1.5
154.99826	1.1
159.04552	1.4
160.01680	7.4
161.02449	27.7
161.04494	1.7
161.06050	1.2
162.02789	1.2
163.04028	13.8
173.02419	2.1
175.03998	7.9
176.01166	2.5
177.05582	2.4
177.09219	5.3
179.03502	72.0
180.03867	3.2
187.04097	1.6
191.03500	11.5
193.05072	2.6
203.03642	1.2
205.05089	2.3
219.02991	33.1
220.03500	1.3
221.04509	1.4
223.13382	1.9
231.02982	5.0
235.06107	1.7
237.07693	6.3
249.03983	0.8
251.16547	1.2
265.07169	2.1
267.12436	1.2
275.01950	4.5
293.03049	33.1
294.03320	1.4
309.20728	1.0
327.21695	0.9
337.09323	2.0
339.10721	0.9
369.08340	4.3
369.13412	3.9
369.22818	1.0
399.23895	2.8
458.23276	0.8
471.29965	1.4
487.13104	0.9
519.24731	2.2
531.19067	2.0
531.27692	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	531.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35706	1.1
57.03445	4.2
57.38662	1.1
59.01380	76.2
59.15180	1.3
60.01689	1.4
61.98827	5.5
62.85358	1.3
67.01937	1.2
68.99821	2.0
71.01378	24.1
71.05006	2.0
71.62359	2.5
72.99306	6.1
73.02940	10.0
75.30207	1.2
82.13791	1.2
83.01392	4.6
84.99323	3.1
85.02953	8.7
87.00876	15.1
89.02448	15.5
95.01417	2.6
97.02933	1.7
97.06583	2.5
99.00867	4.3
99.04532	1.7
101.02450	18.8
103.00397	3.5
107.04977	1.7
109.02943	7.7
111.00896	2.6
111.89606	1.2
112.98806	33.4
113.02425	7.4
115.04057	1.3
115.91962	1.4
116.92856	4.7
117.03468	4.2
119.03497	2.5
119.05013	8.4
121.02914	1.7
123.04509	1.5
125.02472	3.0
127.00350	7.3
130.99849	3.5
131.03510	4.1
132.02173	1.4
133.02954	10.0
134.03784	6.5
135.04527	100.0
136.04854	3.9
137.02440	8.6
139.00340	7.0
143.03465	1.7
145.02943	8.6
147.04488	2.5
149.00917	2.3
149.04539	8.8
149.06111	2.1
150.03152	1.5
151.07664	3.5
159.04518	2.8
161.02440	27.9
161.04547	5.7
163.04033	16.3
164.04303	1.6
165.05486	1.7
175.04015	1.7
177.05550	3.7
179.03500	84.8
180.03873	2.3
191.03488	9.2
191.05634	1.5
201.11333	3.2
203.03464	1.5
205.05089	2.9
214.43918	1.4
219.02974	36.4
223.04012	2.4
231.03049	6.2
237.07663	7.3
251.03526	1.5
252.04262	15.3
265.14438	1.7
267.06595	32.4
267.12384	1.9
275.01831	4.1
293.03003	35.7
294.03345	2.4
309.20593	3.0
354.10797	1.5
369.13406	3.5
369.22644	3.3
399.23660	8.6
463.07947	1.5
530.27289	4.3
531.27460	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52290	0.7
61.98834	100.0
71.53102	1.3
96.96026	0.8
112.20484	0.8
112.24821	0.7
114.31406	0.8
115.01934	0.7
115.37849	0.7
125.30946	0.7
143.03508	0.8
196.20183	0.8
206.49892	0.8
211.70859	0.7
224.78477	0.8
458.25433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
57.03444	3.2
58.00596	3.2
59.01380	81.3
61.98820	6.0
65.00345	2.1
68.99813	9.2
71.01388	32.8
72.01696	2.4
72.99316	33.8
73.02950	16.3
73.14208	2.0
75.00844	3.1
83.01380	5.7
84.99323	10.6
85.02956	16.8
87.00879	56.3
89.02441	18.3
92.86527	2.0
93.03468	5.7
94.29066	2.1
95.01371	3.2
98.19860	5.7
99.00876	7.5
99.04515	2.8
101.02441	27.5
103.00378	11.9
107.86755	2.0
108.02209	3.5
109.02914	3.3
111.00880	3.7
112.98814	87.5
113.02453	13.9
117.03472	11.1
119.01442	2.3
119.03532	4.9
119.05016	11.7
121.02903	11.4
125.02438	5.1
127.00396	7.8
127.42831	2.1
130.08743	5.5
130.99837	7.4
131.03467	2.4
132.02174	8.0
133.02998	4.9
134.03743	72.8
135.04543	15.9
136.01663	2.9
137.02440	7.4
139.04007	3.7
143.03474	2.1
145.02940	25.8
147.04485	4.8
149.00917	12.1
149.02434	53.9
149.04480	5.1
149.04774	3.9
149.06055	24.8
150.03023	3.1
151.03964	5.8
152.01149	4.8
153.01831	2.6
154.99863	3.4
159.02963	2.1
159.04419	3.5
160.01668	31.5
161.02481	17.0
161.04535	9.4
162.03247	19.6
163.04008	15.3
164.04784	34.6
165.01915	2.4
165.05449	2.4
168.97206	1.9
173.02420	4.2
175.00386	11.4
175.04002	32.7
176.01146	3.4
176.04750	6.4
177.01932	15.0
177.05568	10.6
177.09183	4.7
178.02734	9.0
179.03494	8.8
179.05653	3.4
179.07101	18.4
181.05066	5.0
186.03120	2.5
189.01871	4.3
190.02730	35.5
191.03416	11.4
191.07141	6.4
192.04288	9.3
193.01396	6.3
193.05061	29.4
194.05429	2.4
201.01950	3.8
201.05586	2.4
202.02655	9.5
203.03427	2.5
204.04160	2.5
205.01390	5.4
205.05066	38.0
207.06670	6.1
208.03714	17.7
216.04285	3.6
218.02231	3.2
219.03056	5.1
219.06667	4.4
220.03735	16.0
221.08182	6.2
223.06111	33.9
223.13374	3.0
230.02167	6.9
233.04535	76.2
233.06885	4.0
234.05084	5.7
235.06171	12.7
245.04588	9.2
248.03107	3.2
249.07736	2.5
250.01112	3.0
260.03232	6.3
262.98260	2.3
263.05606	68.6
264.05869	4.5
265.07315	5.8
275.05560	3.5
280.02130	3.6
289.03458	12.5
293.06628	2.9
307.04639	100.0
307.08154	11.8
308.04965	6.6
310.08594	2.7
311.05499	3.8
319.04639	11.1
325.10739	6.4
337.05640	88.4
338.05927	4.9
339.05103	3.9
369.06107	10.4
369.13214	3.0
369.22818	10.2
384.08530	7.4
399.10834	61.6
399.15723	2.2
399.23969	10.5
400.11142	2.7
400.23535	3.5
471.26443	3.1
531.14905	4.0
531.27759	44.7
532.28656	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	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
58.00597	0.3
59.01094	0.4
59.01380	8.4
64.88023	0.2
69.03448	0.3
69.30729	2.2
69.77766	0.2
71.01384	6.3
72.99319	0.3
73.02947	1.0
73.69542	0.2
83.01384	0.7
85.02951	1.5
87.00874	0.7
89.02445	6.4
91.04005	0.3
95.01379	0.5
97.02870	0.2
101.02442	6.3
111.08139	0.3
113.02442	3.4
113.09689	0.4
119.03509	1.7
121.35118	0.2
124.92088	0.2
141.09227	0.2
142.10219	0.3
143.03476	0.5
161.04553	3.4
177.16380	0.3
179.05614	1.3
179.14391	0.9
179.60721	0.2
195.13887	8.6
196.14447	0.9
204.25414	0.3
205.12346	0.6
205.15945	0.5
211.13400	0.6
223.13383	6.0
224.13728	0.3
228.13782	0.5
231.21175	0.4
249.22224	0.3
253.09282	29.6
254.09644	0.8
256.13074	1.1
265.21609	0.5
275.20132	5.8
276.20480	0.6
293.21216	100.0
294.21539	7.7
297.60794	0.2
398.08392	0.3
492.22247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03452	0.5
58.00613	0.6
59.01380	10.7
61.98821	0.4
69.29893	0.8
69.30325	0.9
71.01380	8.2
72.99329	0.4
73.02940	1.2
83.01397	0.8
83.05048	0.2
85.02955	1.8
87.00867	1.2
89.02444	7.8
91.04001	0.3
95.01388	0.6
95.05012	0.2
97.02986	0.2
99.00878	0.4
101.02444	9.1
111.08179	0.5
112.98833	0.3
113.02448	4.1
113.09752	0.3
114.02814	0.2
115.03963	0.2
118.13122	0.2
119.03495	2.1
124.11542	0.2
125.02417	0.3
131.03496	0.4
141.09198	0.2
143.03506	1.2
149.04517	0.3
161.04561	3.9
167.10669	0.4
177.12776	0.3
179.05643	1.3
179.14368	1.1
180.14694	0.2
181.12270	0.3
183.10472	0.2
195.13890	8.9
196.14426	0.9
205.12323	0.7
205.15962	0.4
211.13408	0.5
214.07846	0.2
223.13393	6.2
224.13791	0.4
225.14948	0.2
228.13654	0.6
231.21201	0.5
235.08171	0.3
253.09280	37.4
254.09778	1.2
256.13107	1.6
265.21634	0.5
275.17249	0.4
275.20151	5.6
276.20255	0.3
293.21216	100.0
294.21539	7.0
423.46423	0.2
492.22168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03439	0.8
59.01381	20.2
61.98824	2.5
69.03483	0.8
71.01382	10.2
71.05009	2.8
71.10506	1.4
72.99304	1.1
73.02952	1.5
78.95908	0.9
83.01392	0.8
83.05058	0.6
85.02962	3.4
87.00880	1.7
87.76772	0.7
89.02439	8.4
95.01389	1.1
99.00846	1.2
101.02442	10.5
112.98805	4.7
113.02454	4.5
119.03505	1.9
119.05023	1.5
121.02999	2.7
122.17794	0.6
125.02425	0.7
134.03790	1.0
134.74731	0.6
135.04466	1.3
135.11835	1.0
145.02925	0.6
147.04497	0.6
157.08688	2.0
159.04489	0.7
161.04562	5.0
163.04036	2.2
179.03526	0.8
179.05562	1.9
209.15488	1.3
216.30026	0.5
216.44789	0.6
231.21129	2.3
235.08173	1.4
235.17020	50.3
236.17381	2.9
253.09276	39.7
254.09547	1.5
275.20148	65.6
276.20459	5.5
293.21225	100.0
294.21536	8.3
529.35645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46886	6.2
53.20387	6.4
56.89348	6.2
59.01379	54.5
69.30042	55.8
71.01389	60.0
73.02952	15.9
75.00846	7.8
80.25626	6.1
80.96525	10.7
85.02962	19.0
89.02436	27.2
95.70862	6.9
98.19827	12.4
101.02457	35.4
108.47137	5.5
113.02456	24.1
127.71612	6.4
131.03444	14.9
143.80400	5.9
211.95470	6.6
221.93079	7.5
239.76729	7.0
277.21750	100.0
278.22037	8.5
291.23270	49.2
293.21243	8.3
301.21695	10.2
319.22729	25.0
331.22580	7.1
471.40115	6.9
507.40070	6.7
529.25262	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
53.14251	1.0
57.03449	3.6
57.40324	0.9
59.01381	15.1
61.98830	3.7
68.27076	0.9
71.01385	19.5
72.99298	6.6
73.02961	1.6
75.00877	17.5
83.01395	0.9
85.02956	24.1
87.00867	9.1
89.02451	5.5
89.40221	1.0
95.01388	5.5
96.96049	0.9
99.00887	10.0
101.02482	1.4
103.00360	3.7
113.02450	34.0
115.00333	2.9
117.01955	2.6
129.01912	1.8
131.03482	0.9
157.01477	1.4
175.02487	5.4
176.99419	1.0
182.34564	0.9
183.11118	0.8
185.35498	0.8
193.03481	0.9
205.07191	2.8
241.23769	0.9
249.06108	7.4
255.23268	1.0
267.07175	9.0
277.21664	1.7
279.23294	71.6
280.23535	5.8
314.85440	1.1
333.47897	1.0
403.04929	1.0
433.04071	1.1
457.36618	1.5
469.28381	1.1
480.30951	1.1
511.28958	3.3
529.30164	100.0
530.30475	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	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
59.01379	7.5
68.34492	0.3
69.30260	2.1
71.01384	4.8
73.02930	0.9
76.82118	0.3
80.30088	0.3
81.03489	0.4
83.01374	0.8
83.05036	0.5
85.02939	1.1
87.00876	0.8
89.02441	4.0
91.35117	0.2
95.05025	0.8
97.06569	0.4
99.00880	0.3
101.02444	4.6
109.06581	0.3
111.07459	0.5
111.08161	6.7
113.02453	1.9
119.03475	0.9
121.06612	0.3
121.10213	1.3
125.09699	1.3
137.09715	0.4
138.56770	0.3
140.36717	0.3
143.03477	0.3
149.09691	0.5
161.04549	1.8
163.11214	0.3
167.10765	1.3
177.12868	1.3
179.05544	0.5
179.10838	1.3
185.11790	1.8
195.13884	4.5
197.11839	0.5
203.14467	0.4
211.13336	0.5
235.08276	0.5
247.20679	2.3
253.09285	17.2
254.09589	0.4
263.20145	1.1
273.18558	1.9
291.19653	100.0
292.19995	6.8
478.48093	0.3
513.87762	0.3
527.28687	2.7
528.28839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.8
59.01094	5.7
59.01382	95.8
61.98823	16.3
71.01386	36.1
71.61639	3.7
72.99306	5.2
73.02943	12.7
80.47713	3.4
82.69492	2.7
83.01389	5.7
85.02951	8.5
87.00853	7.2
89.02434	17.9
91.49684	3.4
95.01369	5.2
96.95994	3.8
99.00884	6.1
99.04536	3.6
101.02438	24.0
108.02154	5.2
109.02970	4.0
113.02423	14.0
116.92849	4.1
117.03485	5.2
119.03485	6.8
119.05010	9.0
120.01209	6.2
121.02966	3.5
123.04520	5.4
126.90448	3.7
133.02963	5.6
134.03775	16.2
135.04584	15.0
135.73346	2.9
137.02422	9.9
145.02927	15.1
149.00920	6.6
149.02425	3.8
149.06041	10.5
152.01202	4.3
160.04018	9.8
161.02396	9.2
161.04506	7.5
163.03966	8.7
175.03906	6.2
177.57108	3.8
178.02666	7.8
179.03503	6.5
193.05145	20.0
223.06137	6.8
235.05952	4.4
255.88399	3.4
323.07800	3.1
345.82800	3.0
443.19153	3.6
485.13416	6.2
485.20212	100.0
486.20447	10.6
487.14145	3.9
493.24493	3.1
526.62677	3.0
529.15363	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.0
59.01379	17.0
70.38279	7.5
71.01387	26.7
72.99325	6.1
73.02949	3.5
75.00881	23.3
78.98615	2.1
79.95744	3.8
80.96520	24.7
85.02953	31.9
87.00895	14.4
89.02455	6.6
94.98116	6.0
95.01407	7.0
99.00886	15.2
103.00395	4.1
113.02452	43.2
115.00348	3.2
117.01969	2.4
129.01941	2.1
129.90132	1.8
134.97533	2.2
148.99068	2.7
164.98653	3.8
175.02509	5.8
189.37218	1.9
189.93658	1.8
199.91614	2.0
204.34882	1.8
205.07222	4.1
225.00711	5.8
248.86116	2.0
249.06125	10.5
267.07150	10.5
277.21722	75.5
278.22040	4.5
309.80029	2.3
509.27908	3.5
527.29163	100.0
528.29486	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	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98836	1.3
65.44495	0.8
66.67009	1.1
69.34917	8.0
71.01386	2.0
89.02468	1.5
91.48233	0.8
110.32581	0.8
118.22613	0.8
151.52798	1.0
179.10654	0.8
191.46721	1.0
205.12285	1.7
207.09563	0.9
223.13385	14.6
224.13707	0.9
291.19659	1.5
296.75049	0.9
467.26416	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	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22874	0.3
52.72828	0.3
57.03444	1.0
58.00587	0.3
59.01093	0.4
59.01382	6.0
61.98819	0.6
69.48550	1.5
69.48961	0.6
71.01382	4.4
71.05022	2.8
73.02946	0.7
81.03416	0.3
83.05035	0.6
85.02951	1.0
87.00884	0.9
89.02444	4.0
95.01394	0.4
95.05054	0.6
97.02950	0.3
97.06570	1.1
99.00865	0.5
101.02451	4.1
109.06578	0.3
111.08164	7.0
113.02446	1.9
113.09711	0.3
119.03515	1.0
121.10275	0.4
123.08186	0.3
125.09727	0.4
137.09720	0.4
143.03464	0.4
149.09753	0.4
161.04567	1.6
164.99678	0.3
167.10760	1.2
171.10178	0.3
177.12854	1.5
179.05597	0.5
179.10788	1.3
181.12453	0.4
185.11864	0.4
195.13899	4.9
207.13817	0.5
219.13753	0.5
235.08145	0.4
235.17056	0.4
247.20663	1.7
253.09297	16.1
254.09674	0.5
273.18610	1.4
291.19659	100.0
292.20013	7.4
427.37247	0.3
473.19543	0.3
527.28717	2.6
528.29120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03444	2.2
59.01389	11.6
59.51685	1.1
68.99814	2.3
71.01389	16.9
71.61194	1.3
71.61587	1.2
72.99315	6.5
75.00872	22.8
83.01418	1.3
85.02953	20.5
87.00877	9.0
89.02425	4.3
95.01371	4.5
99.00878	13.2
103.00368	2.5
113.02453	28.4
113.86444	1.1
115.00358	1.9
117.01916	3.3
129.01921	1.5
175.02484	4.3
201.55858	1.2
205.06998	1.7
219.77451	1.2
231.05139	2.5
249.06149	26.9
267.07120	5.3
277.21722	78.7
278.22052	6.2
359.32462	1.3
424.11606	1.1
467.26126	1.5
504.29321	1.2
509.27438	3.1
527.28607	100.0
528.28845	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	527.2523
Annotation	Chaetoglobosin C
Peak:m/z	Relative Intensity
59.01357	0.9
63.96223	0.9
71.01373	5.7
73.02954	1.0
76.56075	0.7
78.86131	0.7
78.98581	5.9
79.95727	7.8
80.96516	52.1
85.02953	2.5
87.00851	3.0
94.98093	13.0
96.96009	1.5
97.02934	1.0
98.95647	0.8
101.02458	2.3
106.98073	3.7
108.24692	0.8
111.10664	0.9
122.97569	4.1
124.96803	1.4
125.02419	3.3
134.97588	3.6
136.99165	1.6
148.99091	5.8
152.98630	6.6
164.98615	8.8
165.99454	1.4
182.99719	1.1
197.29768	0.8
206.99612	2.3
225.00740	15.1
227.20148	3.2
230.26067	0.9
243.01707	1.2
299.04440	3.0
338.79977	0.8
374.07553	0.9
391.73831	0.9
418.21100	1.0
527.25293	100.0
528.25696	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.6
59.01382	12.9
61.98818	2.7
69.03443	2.4
71.01371	5.9
71.05000	1.5
71.30936	1.7
72.99308	1.1
73.02950	3.5
81.74336	0.7
83.01388	1.2
83.05030	6.6
85.02949	2.6
85.06592	2.7
87.00876	2.7
89.02461	2.3
93.03461	1.1
94.50414	0.7
95.01389	0.8
95.05032	0.9
97.06577	1.7
99.04530	0.8
101.02422	2.2
109.06593	2.5
111.08169	0.9
112.98807	1.8
113.02442	2.6
113.06054	0.9
119.05012	2.3
123.00815	1.0
123.08108	0.8
125.06095	0.8
135.04523	1.8
136.05267	1.3
137.02478	1.8
149.00928	0.9
149.06085	0.7
150.03139	0.9
151.07657	7.5
155.08662	1.9
161.02371	1.1
163.03961	1.2
165.12917	0.8
205.16039	0.8
243.17509	17.7
244.17775	1.8
253.09105	0.8
257.19034	1.1
259.20627	10.0
275.20114	2.9
277.21619	4.8
303.16159	1.4
303.19635	27.4
304.20016	2.6
306.49731	0.8
317.21146	1.3
319.19232	3.7
321.20786	4.7
327.21747	1.6
329.23288	1.2
347.18552	8.0
348.18887	1.2
351.21579	1.5
365.19659	100.0
366.19989	9.1
379.21350	1.6
407.20789	12.6
408.20993	1.9
465.28256	2.8
465.33224	1.3
467.22876	2.0
467.29742	0.8
483.33994	5.1
485.34894	0.9
527.24933	38.8
527.32446	15.8
528.25244	5.3
528.32501	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	527.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64679	0.3
54.66142	0.4
59.01384	1.1
63.36527	0.4
63.96238	0.8
69.03427	0.6
69.50636	3.0
71.01385	6.2
73.02937	1.5
78.98592	5.5
79.31567	0.4
79.95737	7.4
80.96516	55.7
81.03458	0.5
85.02955	2.3
86.78252	0.3
87.00873	1.7
94.98084	13.2
96.96027	0.7
97.02977	0.8
101.02458	2.5
106.98086	2.7
112.33179	0.4
113.02469	0.5
115.18139	0.4
117.99249	0.4
122.97584	5.6
125.02438	3.2
127.03989	0.7
134.97583	3.9
136.99124	1.3
147.48155	0.4
148.99130	5.3
152.98624	6.7
164.98624	10.9
165.12840	0.7
182.99652	2.0
183.13892	4.3
189.11211	0.4
205.83685	0.4
206.99649	3.6
225.00728	19.9
226.01186	0.4
227.12767	0.4
243.01797	1.6
299.04407	2.7
483.19348	0.7
509.17157	0.5
527.18030	100.0
528.18323	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	527.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01136	1.2
59.01381	14.4
60.91022	1.4
61.98830	13.4
64.73627	1.0
70.37965	1.0
70.93172	2.2
71.01379	11.3
73.02938	3.8
78.95895	3.2
78.98613	5.8
79.95731	8.6
80.96518	56.7
83.01404	1.2
85.02943	4.0
87.00867	6.0
89.02448	5.5
93.03475	1.3
94.98090	15.3
96.95998	1.5
97.02934	1.9
99.00848	2.0
99.04547	2.3
101.02455	5.4
103.00339	1.2
106.98072	2.5
112.98830	2.3
113.02436	3.4
119.05034	1.6
122.97583	2.4
123.08109	1.1
125.02435	4.7
127.03928	1.1
134.97574	4.5
135.04498	4.5
137.02463	2.3
148.99141	6.1
149.00835	2.7
151.03932	1.3
152.98630	6.8
161.02499	1.6
161.04483	1.4
164.98624	10.5
179.03485	2.8
183.13820	5.8
206.99713	2.8
225.00725	18.9
299.04501	1.7
527.18018	100.0
527.32104	4.4
528.18292	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	527.2498
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
57.03502	4.8
59.01438	8.1
61.98894	2.1
64.93714	0.7
69.03465	5.7
69.81755	0.7
71.01385	5.0
71.05090	2.4
73.02999	1.6
85.03011	1.0
87.00922	1.6
89.02529	2.2
89.53098	0.7
95.05112	1.0
101.02481	1.6
109.06677	2.7
112.98869	1.5
113.02522	1.4
119.03571	0.9
121.02996	0.7
123.08218	1.9
135.04611	1.5
135.08229	0.9
137.09827	0.9
149.00992	0.9
151.07753	2.8
161.09807	0.8
163.04007	0.9
175.11343	1.5
177.12894	2.1
189.12901	1.6
191.14449	7.0
192.14755	0.9
205.15904	3.3
207.17572	4.4
217.16008	1.2
219.17566	0.9
221.19150	1.0
233.38708	0.6
243.17610	1.7
245.19125	0.8
247.20679	2.4
247.23090	0.7
249.22253	3.0
257.19165	3.1
259.17120	2.9
259.20728	10.6
261.18539	1.7
275.20114	7.2
277.21689	5.3
290.83597	0.7
303.19687	2.5
319.19244	3.0
321.20657	16.9
322.21033	1.7
347.18582	6.5
358.33664	0.7
365.19666	100.0
366.20038	8.7
407.20694	8.5
465.32220	1.4
467.22623	0.9
483.33102	3.0
508.35559	0.7
527.16949	1.2
527.24835	24.1
527.31689	1.7
528.25208	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	526.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01347	5.0
61.98830	8.5
64.79394	2.2
70.43822	7.3
71.01399	2.6
82.61426	2.0
106.40697	2.2
107.01424	3.1
119.73228	2.6
125.61307	2.2
151.00333	9.3
173.34810	2.5
178.99887	4.9
227.03424	2.5
237.73128	2.9
240.17917	2.1
243.03000	7.0
252.42506	2.3
255.02989	23.2
271.02469	41.0
272.02936	3.7
299.01944	3.2
300.02753	94.4
301.03525	44.7
463.08777	100.0
464.09619	11.0
526.29816	2.4
552.98773	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	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.1
61.56023	1.4
61.98833	100.0
70.31877	3.6
70.32260	2.7
71.01378	5.4
73.02940	1.4
76.99472	1.6
85.02972	1.9
87.00848	2.9
89.02450	3.3
89.91661	1.5
92.84282	1.5
101.02436	3.1
112.98834	1.5
113.02427	2.7
114.49286	1.4
117.03442	1.5
119.04965	2.7
129.58292	1.6
135.04526	3.6
149.00941	1.7
165.12834	3.6
183.13898	37.9
184.14050	1.8
201.65202	1.5
223.03868	1.8
227.12878	3.1
235.58264	1.5
253.09277	2.4
275.26108	1.7
463.21863	46.5
464.21948	4.7
483.26370	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	525.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01378	2.6
62.88101	0.4
63.96231	0.6
69.03452	1.2
69.95414	2.0
71.01385	6.5
72.99293	0.5
73.02934	1.9
78.98602	5.2
79.95739	7.5
80.96519	53.0
81.03452	0.4
85.02963	2.3
87.00877	3.6
89.02422	0.7
94.98088	13.0
96.96008	0.6
97.02950	3.6
99.00866	0.7
99.04531	0.4
101.02431	2.5
104.00826	0.4
106.98097	2.6
112.98810	0.8
116.92867	1.2
122.97609	5.8
125.02453	3.3
127.04031	0.9
134.97569	3.7
135.04517	0.8
136.99138	1.5
137.02477	0.5
141.01936	2.2
143.05035	0.6
145.02960	0.5
147.04509	0.7
148.99155	4.5
149.00916	1.6
152.98651	7.2
161.04637	0.5
161.06049	1.0
164.98639	10.6
172.05353	1.5
179.03543	0.6
181.12363	1.0
182.99698	2.3
189.05589	2.8
190.06358	1.0
206.99658	3.2
207.10178	2.4
225.00748	17.7
225.02982	1.0
225.11317	2.9
234.05333	0.8
243.01761	1.6
269.11829	0.9
299.04419	2.2
331.11838	1.8
393.11847	1.8
525.16461	100.0
526.16852	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	524.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56050	0.3
58.55616	0.3
59.01384	4.3
61.98832	100.0
69.35576	2.8
71.01385	1.1
72.99317	0.4
73.02952	0.8
82.81257	0.4
85.02961	0.8
87.00887	1.0
89.02435	0.6
91.66330	0.3
92.72776	0.3
93.03472	0.4
95.25045	0.3
96.66613	0.3
101.02461	0.6
103.00356	0.5
112.98831	1.6
113.02477	0.6
115.86406	0.3
119.96895	0.4
121.02975	0.3
132.03058	0.5
133.02943	0.9
134.03763	1.3
135.04518	1.6
137.02481	0.6
149.00932	1.0
149.06133	0.4
163.03992	0.6
166.74728	0.4
177.09203	0.4
178.02687	1.0
179.03470	1.2
180.83469	0.4
193.93896	0.4
194.10234	0.4
212.13782	0.8
233.07916	0.4
235.45280	0.3
274.38693	0.4
327.21869	0.4
328.16293	0.5
345.17139	0.4
346.17593	1.2
347.17804	0.9
348.18079	1.1
359.29703	0.4
392.17325	0.8
481.31830	0.7
513.56592	0.4
523.35651	0.6
524.20123	0.5
524.34747	0.8
525.30652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92602	0.2
59.01381	4.7
61.98831	100.0
62.98550	0.2
63.99252	0.5
71.01407	1.2
71.62733	0.4
72.99316	0.6
73.02945	0.5
83.01385	0.3
83.12677	0.3
85.02969	0.5
87.00906	1.3
89.02444	0.3
91.33133	0.2
101.02448	0.3
103.00392	0.4
106.45175	0.2
109.02939	0.3
109.06635	0.3
112.98819	1.5
113.02467	0.5
119.05032	0.7
121.02955	0.3
133.02980	1.0
134.03819	1.2
135.04559	2.2
137.02470	0.5
145.02986	0.4
147.04407	0.3
149.00871	1.2
150.01273	0.3
161.02408	0.2
163.04013	0.7
177.01971	0.5
178.02650	0.6
179.03438	1.0
209.11777	0.3
211.13388	0.6
212.13698	0.7
255.09964	0.3
316.16345	0.3
327.21677	0.4
328.16336	0.6
329.17218	0.3
345.17151	0.4
346.17560	1.1
347.17923	0.8
348.18118	1.6
390.16614	0.4
391.16833	0.5
392.17429	0.7
463.26843	0.3
481.32184	0.4
524.20386	0.3
524.34729	0.5
525.30511	1.5
531.78784	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44761	0.3
55.01880	1.2
57.03448	0.9
58.00599	1.2
59.01382	66.7
60.01713	0.8
61.98841	0.8
69.03455	0.6
69.34046	3.2
71.01384	27.3
72.01743	0.3
72.99315	2.1
73.02948	17.4
73.09924	0.3
83.01394	5.1
85.02954	6.8
87.00897	1.8
89.02447	13.8
89.02992	0.7
95.01397	2.6
99.00893	1.0
99.04512	0.4
101.02444	22.0
106.11779	0.4
112.98801	0.5
113.02457	10.5
114.92174	0.4
119.03506	5.1
125.02465	1.1
131.03516	1.2
135.04544	0.5
143.03532	1.3
148.26959	0.3
149.04568	0.8
151.00385	0.4
161.04576	2.2
179.05743	0.5
194.57300	0.3
224.69789	0.4
241.01503	0.7
270.01752	1.0
271.02359	1.2
299.01987	1.5
300.02740	0.4
301.21704	3.0
313.03522	3.3
314.04211	1.5
315.05194	0.3
319.22794	1.5
414.95081	0.4
463.27008	6.0
464.27213	0.5
481.28009	5.6
482.28610	1.1
493.65854	0.3
523.29102	100.0
524.29443	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	523.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.6
57.03450	4.9
58.00575	1.5
58.66581	0.4
59.01381	33.1
60.99285	0.5
61.98829	3.6
63.70307	0.4
68.99791	0.5
69.03458	1.2
70.23225	2.0
71.01385	41.5
72.01741	0.7
72.99300	2.7
73.02950	12.6
75.00864	1.5
83.01395	7.4
83.05009	0.6
85.02955	20.3
85.06569	0.7
87.00887	4.9
87.04478	0.7
88.98798	0.8
89.02447	11.8
93.03453	0.7
95.01395	3.8
97.02930	1.1
97.06578	0.5
99.00887	5.4
101.02448	29.1
103.00388	1.1
107.04998	0.5
108.02172	1.2
109.02958	0.8
111.00881	1.7
112.98789	1.3
113.01684	0.9
113.02446	15.6
114.02802	0.5
119.03499	4.0
119.05016	0.8
121.02951	0.9
125.02406	0.9
130.99870	0.8
131.03522	0.8
134.03682	0.5
135.04550	2.9
137.02454	0.8
143.03473	2.0
145.02989	0.7
149.00888	1.9
149.04507	0.5
149.06122	0.5
150.03241	0.5
152.01111	1.7
153.01831	1.3
159.03018	3.1
161.02507	0.8
161.04568	11.3
163.03989	1.1
177.05612	0.5
179.03505	0.8
179.05544	0.9
209.11905	1.0
229.18050	2.0
285.24008	0.4
301.20255	0.6
315.25339	1.7
343.28482	0.7
345.17093	0.8
345.22714	0.8
346.17334	0.6
347.17847	1.6
361.29605	21.1
362.29907	1.5
373.25854	1.3
375.27344	1.6
377.75995	0.5
389.25439	0.8
391.26990	32.4
392.27454	2.3
463.21820	1.0
523.34851	100.0
524.35223	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	523.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
58.00597	1.2
59.01384	47.6
62.73030	0.9
69.56203	2.9
69.56635	3.9
70.28343	1.1
71.01387	21.5
72.99291	1.2
73.02946	5.7
74.62794	0.9
79.73473	0.8
83.01394	2.6
85.02959	12.5
87.00867	2.8
89.02445	7.5
93.03493	0.9
95.01400	3.0
101.02451	10.9
113.02441	13.5
114.02767	1.2
119.03510	3.1
121.02946	1.2
133.02957	11.0
134.03773	5.3
135.04536	22.1
137.02422	3.7
143.03535	1.2
144.64133	0.8
161.02458	37.7
162.02766	1.8
175.77376	0.9
178.02681	1.3
179.03482	8.2
186.07297	1.0
239.03178	0.9
287.22266	3.6
292.66946	1.0
301.21204	1.0
319.22787	27.8
320.23151	2.7
431.24350	15.5
432.24643	1.2
449.25317	8.3
463.27005	18.9
464.27090	2.4
481.27948	8.0
523.29102	100.0
524.29541	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	523.2914
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
53.19527	0.5
54.76673	0.5
55.01883	0.7
57.03448	1.0
58.00591	0.6
59.01387	45.9
61.98844	0.6
65.32806	0.6
69.29773	5.1
71.01389	22.5
72.99309	1.6
73.02954	14.9
79.42867	0.6
83.01395	5.8
85.02960	7.7
86.00089	0.6
87.00862	1.9
89.02455	6.3
95.01395	2.6
95.64886	0.5
99.00899	1.6
101.02451	19.2
103.43818	0.5
111.04536	1.5
112.98843	0.9
113.02451	8.8
116.11845	0.5
119.03503	2.7
124.01660	0.7
125.02473	0.7
134.03638	0.4
135.04530	1.5
143.03494	1.2
149.00905	1.3
151.00301	0.6
161.02464	0.6
161.04576	1.9
163.04044	0.5
173.42963	0.6
179.03488	0.6
241.01515	1.4
242.02098	0.7
243.02956	0.9
245.01070	1.0
247.09827	0.6
255.02960	1.5
270.01669	1.4
271.02429	2.2
275.23898	0.9
285.04053	0.8
287.16595	0.7
298.01324	0.7
299.01974	6.3
300.02634	2.1
301.21716	11.4
302.22162	0.8
313.03571	9.4
314.04263	4.7
315.05051	0.9
319.22595	0.8
347.17822	0.6
463.27008	4.1
479.30215	1.1
481.28058	8.6
482.28107	0.7
505.11237	0.6
523.29150	100.0
524.29474	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	523.2912
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
50.59723	0.4
55.01862	1.0
57.03453	1.4
58.00595	1.8
59.01379	86.0
69.03431	0.6
69.29041	3.9
71.01381	28.7
72.99303	1.5
73.02946	16.5
75.00908	0.5
81.12584	0.4
83.01389	5.3
85.02952	7.4
87.00896	1.4
89.02442	18.0
95.01401	2.0
95.53888	0.4
97.02946	0.4
98.19863	0.9
99.00896	0.9
99.90727	0.5
101.02442	21.4
102.02826	0.7
113.02446	10.2
119.03503	6.3
120.16442	0.4
125.02447	0.9
131.03465	0.9
133.02956	4.4
134.03755	1.6
135.04520	7.9
137.02466	0.7
139.04100	0.4
143.03493	1.8
149.04561	0.9
161.02435	14.1
161.04430	2.8
162.02768	0.9
179.03519	3.2
179.05627	1.4
236.23013	0.4
287.22137	1.2
301.21762	1.0
319.22858	0.7
347.58374	0.4
431.24350	7.5
432.24451	0.5
449.25381	2.7
463.26947	4.2
464.27374	0.7
481.28000	3.9
505.27649	0.6
523.29102	100.0
524.29462	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.1
57.03443	1.4
58.00595	2.3
59.01380	100.0
60.01711	0.9
69.03464	0.4
69.39304	1.6
69.39741	1.1
71.01382	30.9
72.99310	1.9
73.02947	14.6
79.48616	0.3
83.01387	6.3
84.02180	0.4
85.02952	8.5
87.00865	1.9
89.02448	18.9
95.01378	2.4
97.02984	0.5
99.00920	0.8
101.02441	23.4
103.00427	0.4
106.03833	0.4
109.02946	0.4
110.15282	0.3
113.02448	11.9
116.13078	0.3
119.03503	8.4
119.04299	0.5
119.04985	0.3
125.02459	0.7
131.03517	1.3
133.02948	0.7
134.03740	0.8
135.04538	0.7
137.02444	0.5
143.03473	2.0
149.00883	0.8
149.04561	1.0
154.57825	0.3
155.03476	0.5
161.02478	0.4
161.04553	2.6
177.02036	0.4
177.97121	0.3
178.02635	1.2
179.03156	0.5
179.05623	1.6
190.50829	0.3
207.75471	0.3
211.13393	0.4
211.72057	0.3
215.77977	0.3
221.22879	0.3
247.09596	0.3
301.21735	1.5
314.53397	0.4
345.17072	0.8
347.17783	0.7
422.56461	0.3
463.27026	5.8
464.27478	0.8
466.79807	0.3
479.29602	0.3
479.94250	0.3
481.28046	5.8
482.28510	0.7
505.28146	0.5
523.29095	86.5
524.29425	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	523.2925
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.01877	1.5
55.59489	0.4
57.03452	1.3
58.00597	0.4
59.01381	54.4
60.01718	0.6
61.98830	2.9
67.17326	0.3
69.03477	0.7
71.01383	23.4
72.99317	1.5
73.02948	16.6
75.00863	0.3
75.16097	0.3
83.01389	5.2
85.02953	9.2
86.00134	0.4
87.00883	2.2
89.02448	7.5
95.01395	2.3
97.02966	0.7
98.20638	1.3
99.00901	1.4
101.02450	18.0
102.80968	0.4
103.00392	0.5
111.00915	0.4
111.04526	1.3
112.98808	1.1
113.02452	9.4
119.03520	2.3
121.02977	0.5
125.02442	0.8
130.99876	0.4
131.03506	0.9
132.55261	0.3
133.02931	2.2
134.03809	2.8
135.04500	0.8
137.02426	0.8
143.03523	1.2
149.00940	0.8
159.03012	0.6
161.04517	2.5
177.01917	0.9
178.02704	2.0
179.03156	0.5
179.05348	0.3
180.03215	0.5
190.52740	0.4
211.13437	2.0
212.13779	0.8
213.13965	0.7
219.70120	0.4
230.24835	0.5
231.10229	0.4
275.23862	0.7
285.18683	0.7
301.21713	11.1
302.21960	0.9
309.15009	0.4
319.22891	1.2
327.15894	0.6
329.16721	0.7
343.93329	0.4
345.16968	2.5
346.17413	1.5
347.17761	3.4
389.16064	0.5
391.16678	1.2
437.28799	0.9
463.26895	6.2
463.32584	0.6
464.27255	0.7
481.28006	9.0
482.28232	1.3
505.27884	0.4
523.29102	100.0
524.29443	14.6
524.37341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2924
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.01888	1.1
57.03443	1.4
58.00595	2.3
59.01380	100.0
60.01711	0.9
69.03464	0.4
69.39304	1.6
69.39741	1.1
71.01382	30.9
72.99310	1.9
73.02947	14.6
79.48616	0.3
83.01387	6.3
84.02180	0.4
85.02952	8.5
87.00865	1.9
89.02448	18.9
95.01378	2.4
97.02984	0.5
99.00920	0.8
101.02441	23.4
103.00427	0.4
106.03833	0.4
109.02946	0.4
110.15282	0.3
113.02448	11.9
116.13078	0.3
119.03503	8.4
119.04299	0.5
119.04985	0.3
125.02459	0.7
131.03517	1.3
133.02948	0.7
134.03740	0.8
135.04538	0.7
137.02444	0.5
143.03473	2.0
149.00883	0.8
149.04561	1.0
154.57825	0.3
155.03476	0.5
161.02478	0.4
161.04553	2.6
177.02036	0.4
177.97121	0.3
178.02635	1.2
179.03156	0.5
179.05623	1.6
190.50829	0.3
207.75471	0.3
211.13393	0.4
211.72057	0.3
215.77977	0.3
221.22879	0.3
247.09596	0.3
301.21735	1.5
314.53397	0.4
345.17072	0.8
347.17783	0.7
422.56461	0.3
463.27026	5.8
464.27478	0.8
466.79807	0.3
479.29602	0.3
479.94250	0.3
481.28046	5.8
482.28510	0.7
505.28146	0.5
523.29095	86.5
524.29425	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	523.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32779	0.4
53.62506	0.4
55.01876	2.7
56.09098	0.4
57.03457	3.8
58.00581	1.2
59.01382	26.7
61.98829	5.2
67.01894	0.6
69.03456	1.0
71.01385	28.9
71.05040	0.6
72.99311	2.4
73.02950	8.9
75.00883	1.1
75.53983	0.4
83.01391	5.0
85.02953	14.4
85.06607	0.7
86.00111	0.4
87.00877	9.3
87.04512	2.5
88.98795	0.6
89.02441	8.1
95.01402	3.0
97.02946	0.9
98.19855	1.3
99.00871	3.6
101.01777	1.1
101.02448	21.7
103.00380	1.1
108.02158	0.7
109.02985	0.8
111.00899	2.1
112.98831	1.2
113.02455	11.7
114.02789	0.5
119.03490	3.2
119.05009	1.7
122.15131	0.4
123.08154	0.6
125.02440	1.3
125.87112	0.4
129.01932	1.0
129.09166	0.6
130.99921	0.9
131.03487	0.7
131.41988	0.5
133.06564	0.5
135.04529	2.3
139.11253	0.9
141.12865	0.6
143.03502	1.1
143.10817	0.5
145.02972	0.7
149.00868	1.1
149.04553	1.1
149.06073	0.9
152.01169	0.8
153.01859	0.5
157.12314	0.9
157.94363	0.4
159.02983	2.0
159.04384	0.6
161.02461	1.0
161.04539	6.6
163.04016	0.9
176.74808	0.5
179.03506	1.4
179.05611	0.8
181.67465	0.5
185.11839	2.0
193.04991	0.6
209.11746	0.6
215.12836	2.7
223.93338	0.4
229.18083	1.1
243.16017	1.3
264.97290	0.6
273.20728	0.9
301.20267	1.1
315.25272	1.0
327.08539	0.5
343.24701	0.6
345.22803	2.4
346.17441	0.9
347.17755	1.3
355.24652	0.7
361.29636	14.0
371.24271	0.9
373.26062	3.7
374.25970	0.5
375.27499	3.4
389.25357	1.9
390.25626	0.6
391.26999	100.0
392.27362	9.7
392.32056	0.9
463.22214	1.1
523.27826	7.5
523.34882	73.2
524.27832	1.1
524.35187	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	523.2187
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.58395	0.4
58.50220	0.4
59.01381	10.4
61.50515	0.5
61.98827	1.6
71.01380	4.9
71.61782	0.8
72.99311	2.7
73.02943	1.6
83.01399	0.7
85.02946	1.8
87.00851	2.9
89.02448	1.9
93.03455	1.7
101.02470	2.5
108.02158	0.6
109.02961	6.0
111.43503	0.4
111.64359	0.5
112.98788	0.9
113.02441	1.7
114.93388	0.6
119.03597	0.4
119.05028	1.4
121.02120	1.1
121.02946	12.4
122.03744	11.1
123.04528	3.1
124.01657	1.7
128.03516	0.5
129.03482	0.6
134.03754	1.5
135.04518	6.1
136.01697	1.2
136.05252	1.0
137.02432	2.5
145.02994	0.5
146.03732	0.9
147.04535	5.4
149.00899	1.4
149.06044	1.6
150.03207	0.7
151.95844	0.5
153.01895	0.8
154.02692	1.7
159.04495	0.7
160.05273	0.6
161.02412	0.7
161.04565	1.2
161.06071	1.5
163.04021	1.7
164.04832	0.9
165.05568	23.7
166.06097	0.5
175.07603	0.7
177.05669	1.0
178.06424	0.7
179.03606	2.8
179.07126	8.4
191.07188	0.7
197.04471	2.5
203.03537	1.4
209.08118	0.5
223.09732	1.2
259.19351	0.6
299.51474	0.6
301.10934	0.8
313.14511	1.2
315.12277	2.6
316.13199	0.6
346.14130	8.9
346.17957	0.7
346.24863	0.5
347.14398	0.8
359.09818	3.9
361.16565	100.0
362.16870	8.5
391.19754	3.8
391.27014	6.0
392.27460	0.7
457.24966	0.5
523.21191	1.4
523.27649	5.6
524.28076	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1769
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
61.98802	1.6
68.48318	0.9
69.65855	5.0
71.01373	1.0
78.95905	74.8
98.20655	0.9
99.92590	16.6
100.93343	1.9
110.98535	11.4
115.92086	28.7
116.92075	1.3
116.92857	15.8
150.98000	1.3
152.99657	1.2
155.95212	2.5
159.84164	0.9
163.89752	1.4
164.99594	2.4
178.87030	1.4
178.88452	13.0
179.89224	35.7
180.90065	10.9
181.90735	2.8
193.90793	40.5
194.87973	1.6
194.91612	23.6
195.91867	0.9
196.89496	48.7
197.89467	2.5
218.91451	1.0
236.92542	2.1
237.93228	0.9
248.92708	3.1
249.93353	4.0
250.94092	2.2
255.23221	4.3
265.92828	0.9
266.93649	3.5
350.89557	0.8
355.15756	2.4
361.22272	0.9
371.15253	2.3
411.18228	5.0
475.15393	2.6
505.16571	2.0
506.67465	1.0
523.17688	100.0
524.17847	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	523.2183
Annotation	Mascaroside
Peak:m/z	Relative Intensity
50.23404	0.5
55.01861	2.3
57.03428	1.5
58.00574	0.9
59.01381	26.3
61.98815	0.7
69.03473	0.5
69.34283	4.8
71.01386	19.2
72.99290	1.9
73.02956	5.3
73.06416	0.6
75.00856	0.9
76.25604	0.5
77.41098	0.5
82.94733	0.5
83.01388	3.7
85.02958	7.7
87.00877	3.9
88.98814	0.8
89.02435	7.8
93.03441	1.6
95.01367	1.9
96.96025	1.0
98.19775	0.9
99.00871	2.3
101.02446	13.0
108.02183	1.0
109.02971	5.1
111.00896	0.7
111.04492	0.7
112.98788	1.3
113.02456	6.4
114.14368	0.5
119.03490	3.5
119.04961	1.7
121.02126	1.0
121.02952	13.2
122.03741	13.7
123.04578	2.6
124.01611	1.2
125.02441	0.8
134.03674	1.7
135.04532	4.1
136.05273	0.9
137.02495	2.9
137.06093	0.6
145.02890	0.8
146.03691	0.7
147.04538	8.5
149.00938	0.8
149.06062	1.9
153.01944	2.7
154.02681	1.4
159.03067	0.7
159.04546	0.6
161.02428	1.0
161.04652	1.0
161.06084	3.0
162.06802	0.9
163.04016	1.7
164.04701	0.8
165.05563	24.1
166.05949	1.0
173.06133	0.9
175.03978	1.3
175.07588	1.3
178.06242	0.8
179.03491	1.5
179.07120	8.1
191.07146	1.3
193.04926	0.6
193.08725	0.7
206.39172	0.5
208.07397	0.6
209.08148	1.2
209.11816	1.6
223.09695	1.5
298.12158	1.2
313.14481	2.5
315.12283	2.2
316.13147	0.8
322.30191	0.5
325.10864	0.6
328.13242	2.8
329.13943	1.5
343.15427	4.9
346.14148	9.5
346.18002	0.8
347.14734	2.4
361.16547	95.4
362.16959	8.6
375.27563	0.7
391.27002	7.8
392.27502	0.6
463.21765	1.0
479.56113	0.6
508.17645	1.2
523.21808	100.0
524.22083	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	522.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98833	100.0
65.45030	0.2
69.43909	1.6
70.29018	0.2
70.96046	0.2
71.01378	0.3
72.99298	0.3
87.00919	0.4
87.98148	0.2
96.95998	0.3
124.01777	0.3
134.03836	0.2
135.04575	0.4
149.00974	0.3
193.05186	0.4
281.64249	0.3
342.10745	0.3
363.54428	0.3
459.15445	0.9
522.15662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.2
61.98829	11.1
64.84246	0.6
69.58593	3.8
69.58979	1.4
71.01378	2.0
73.02930	0.8
73.13047	0.9
75.00885	0.9
78.95898	0.9
85.31026	0.6
87.00874	2.1
89.02462	1.7
93.03477	0.9
96.96027	2.7
101.02469	1.3
103.00380	0.8
112.98862	0.9
113.02470	1.1
116.92855	1.8
117.03452	1.2
119.05029	67.8
120.05357	1.8
133.70500	0.6
134.03706	1.3
134.78778	0.6
135.04526	4.7
137.02483	0.7
145.02953	6.7
149.00908	2.1
149.06010	0.7
157.25252	0.7
160.04045	1.8
161.04459	1.0
163.04008	100.0
164.04370	5.0
175.02475	1.1
193.05066	1.5
197.02248	0.6
226.01369	0.9
229.69748	0.9
253.08604	0.9
271.09811	1.0
325.09290	37.5
326.09583	2.3
349.13095	2.1
361.06839	1.2
391.10733	0.9
523.12518	4.9
524.14777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1243
Annotation	Mayoside
Peak:m/z	Relative Intensity
50.29537	1.0
57.03422	0.9
59.01094	1.6
59.01379	28.4
61.98819	2.0
65.00340	0.9
69.03428	0.9
70.49574	1.4
70.49934	3.2
71.01383	12.5
72.99300	1.4
73.02934	3.4
83.01382	2.2
85.02931	5.8
87.00877	1.6
89.02442	4.2
95.01382	1.6
98.20528	1.1
99.00835	1.8
101.02436	6.6
107.01390	2.4
112.98798	1.0
113.02461	5.0
121.03016	1.5
121.18010	0.8
125.02492	1.0
133.02975	1.0
135.04483	0.9
139.04097	1.0
145.02924	1.5
149.00946	1.6
150.18036	1.0
151.00369	5.4
161.02419	2.7
161.04568	1.2
163.03966	1.1
178.02882	0.9
179.03441	2.2
183.04517	3.4
185.02373	1.1
191.07043	1.1
199.04008	6.5
211.03844	1.0
214.02716	3.8
215.03442	2.8
227.03456	4.1
230.01720	1.1
241.01408	15.2
242.02180	9.4
243.02916	10.4
245.00883	11.9
255.02931	10.2
270.01678	36.2
271.02393	20.3
272.02890	2.1
282.01721	3.4
285.04016	13.2
298.01218	10.1
299.01959	53.7
300.02673	15.0
301.03070	1.9
301.21646	1.4
313.03513	100.0
314.04221	35.8
315.04977	12.5
345.22668	1.2
371.47415	1.1
453.43985	1.1
463.26941	8.5
481.27908	3.3
505.11172	2.8
523.12225	2.9
523.29065	31.3
524.29279	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	522.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98312	0.5
55.36865	0.6
56.97939	0.5
59.01374	4.9
61.98825	0.7
71.01385	0.8
71.30965	1.0
72.99309	1.4
73.03001	0.7
78.03497	0.8
85.02957	1.5
87.00906	1.4
103.00385	1.5
108.02177	51.3
109.02319	0.9
109.02970	13.8
113.02509	0.6
116.88903	0.6
121.02976	1.1
122.02484	30.0
123.04515	1.9
134.03773	2.7
135.04547	4.9
147.04538	0.8
149.00969	1.0
149.02455	0.8
150.03133	1.4
152.01152	100.0
153.01591	3.2
163.03990	2.4
165.05522	2.1
178.02744	0.9
179.03477	4.8
181.89748	0.6
193.05034	2.6
194.05328	1.2
195.06577	0.9
210.07713	6.6
267.05005	1.1
285.06177	1.2
291.18369	0.5
381.08221	0.6
390.12531	1.8
399.09305	68.3
400.09677	4.8
522.12427	78.4
523.12671	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35197	1.3
55.01863	4.9
57.03461	8.7
58.00584	4.3
59.01380	62.9
61.98525	2.3
61.98834	44.1
68.99846	1.2
69.03441	2.2
71.01383	58.9
71.62249	1.1
72.99303	6.3
73.02949	16.5
75.00885	3.4
81.19579	1.2
83.01407	8.4
85.02950	24.9
87.00882	21.4
87.04557	1.6
89.02451	26.2
93.07100	2.6
95.01418	5.7
95.20477	1.1
95.21114	1.1
97.02973	1.7
97.06573	1.6
99.00880	6.7
99.04582	1.4
101.02448	44.3
103.00383	2.6
103.44129	1.1
108.02180	12.2
109.02959	16.0
111.00896	3.4
112.98811	4.8
113.02453	24.5
117.10516	1.1
119.03518	13.7
119.05051	2.0
121.02970	9.0
125.02450	1.7
128.22176	1.1
130.99809	2.6
131.03531	2.1
134.03732	4.2
135.04530	5.8
137.02464	1.4
137.12511	1.0
138.03238	1.3
143.03502	4.0
143.10774	6.2
147.04556	3.3
149.00909	16.5
149.04646	1.1
150.03224	1.5
152.01154	21.9
153.01961	6.5
158.03673	2.5
159.02969	4.5
159.04512	5.5
160.05161	1.2
161.02492	1.8
161.04576	15.1
161.05922	2.0
165.05519	1.7
172.05183	1.4
173.06032	4.2
174.03325	1.7
174.06839	2.8
175.04016	4.6
175.07664	2.9
175.74706	1.2
179.03407	1.9
179.05589	3.9
183.06546	1.8
183.13953	1.8
186.06827	1.4
187.04012	42.8
187.07565	1.7
188.04509	1.3
193.05038	1.6
194.43445	1.5
199.03925	1.9
200.08272	1.5
201.05647	2.8
201.09126	1.4
202.06375	8.2
203.07069	1.8
204.07918	6.1
211.07549	1.7
215.07138	1.5
219.02869	1.4
227.12839	4.6
229.08652	3.4
229.18129	4.1
232.07378	2.1
243.02837	1.4
248.10487	1.4
250.87286	1.2
254.09319	2.0
255.10326	1.7
255.13895	2.8
257.11746	1.2
271.02509	12.6
272.02759	10.1
273.03006	16.0
273.15103	1.7
283.13382	10.5
283.16141	1.6
285.06351	1.6
293.03082	1.4
299.01953	13.4
299.16510	3.5
300.02393	14.6
301.02594	22.5
301.14456	10.3
302.03168	3.6
309.14862	2.8
311.12820	2.2
315.05139	5.1
316.05469	6.4
317.05701	12.2
317.09549	1.9
317.17496	2.4
327.12378	1.3
327.15970	24.5
328.16351	3.4
329.13904	4.6
329.26779	1.6
345.17075	91.5
346.17371	8.4
359.28030	23.1
360.28357	1.9
371.15121	2.5
373.25787	3.7
389.16125	15.8
389.25299	18.1
390.26144	1.6
391.23389	2.7
399.09286	8.6
433.28317	1.4
506.09772	8.3
521.12494	53.2
521.27332	3.9
521.33319	100.0
522.12616	7.6
522.33777	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	521.2757
Annotation	Ivain Ii
Peak:m/z	Relative Intensity
55.01876	0.7
57.03447	1.0
57.23988	0.4
59.01379	100.0
60.01696	0.6
64.90417	0.4
69.75896	2.2
71.01385	13.1
72.99317	1.8
73.02946	2.5
83.01404	1.2
85.02962	5.7
87.00866	3.2
89.02441	5.3
95.01404	1.4
98.20691	0.7
99.00876	0.9
101.02449	6.2
103.00425	1.2
105.19507	0.4
109.02990	0.6
112.98837	1.1
113.02451	10.2
119.03503	1.6
121.03040	0.5
133.02977	1.7
134.03746	3.0
135.04546	0.9
137.02483	1.4
137.08717	0.4
139.04042	0.5
147.04512	0.6
149.00920	4.7
161.02425	0.5
161.04573	3.5
163.03912	0.5
174.03256	1.6
175.04097	0.5
175.07675	0.4
176.04793	0.9
177.02008	0.9
177.05598	0.4
178.02705	3.8
179.05591	0.6
187.04025	0.9
187.07736	0.4
188.04855	0.5
201.05589	0.6
201.09300	1.4
203.07042	0.8
205.08783	1.5
211.13438	1.4
219.10239	0.5
229.08659	1.9
230.09470	1.7
232.07494	0.5
233.08298	1.1
247.09743	5.6
248.10422	1.0
283.13773	0.4
291.08972	0.4
292.09586	1.2
299.20233	1.7
310.03305	0.8
317.21249	0.9
327.15939	1.9
345.16998	3.8
346.17392	0.4
381.08429	0.9
389.16342	1.7
390.16208	0.6
424.10205	0.7
426.98849	0.4
461.25455	5.7
479.26566	4.7
521.15405	1.1
521.27325	4.4
521.33185	0.5
522.28052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85654	3.0
52.73553	3.2
52.96100	3.2
59.01384	100.0
61.98813	4.1
64.10462	3.7
70.46935	3.4
71.01374	23.2
71.10433	6.6
72.99320	4.6
73.02961	11.1
85.02960	6.3
87.00888	24.0
89.02467	12.2
99.04529	20.3
101.02471	17.7
103.00379	10.8
112.98823	9.7
113.02448	7.7
119.03513	5.1
121.02986	3.8
131.03453	4.0
133.02966	22.5
134.03741	28.8
135.04520	10.8
137.02463	8.4
139.04030	5.1
149.00949	18.0
150.03235	8.5
161.02614	4.2
161.04504	5.5
165.05540	5.3
174.03247	4.5
175.03966	4.3
177.01915	9.2
178.02643	24.2
179.03453	7.3
179.05566	7.1
187.04054	6.4
187.07608	4.4
205.08708	5.5
211.13364	19.0
227.12990	4.0
229.08748	10.5
230.09529	5.2
232.07416	6.4
247.09773	22.8
248.10477	5.0
286.88324	3.7
293.21243	4.1
301.14557	4.7
309.14804	4.9
327.16153	18.4
345.17078	41.6
362.92215	4.1
389.16086	14.2
399.23697	6.1
521.27136	6.9
521.34760	5.8
537.68585	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
61.47685	0.3
61.98830	0.9
66.34772	0.3
71.01391	0.8
71.10538	0.5
72.46463	0.4
76.99918	0.4
87.00877	1.1
93.03467	0.5
94.75264	0.4
105.03490	0.5
107.05044	0.5
117.03473	2.0
119.05029	2.6
121.02959	1.2
132.02165	1.1
133.02956	25.3
134.03763	10.6
135.04526	43.2
136.04855	1.3
137.02451	6.0
139.04012	2.1
143.55812	0.4
145.02945	4.1
149.00928	1.1
150.03271	1.3
150.08926	0.4
161.02440	83.4
162.02806	2.8
163.04028	2.9
177.01971	0.8
178.02721	3.8
179.03491	16.9
180.03883	1.0
199.07928	0.4
211.13358	1.1
224.73778	0.4
235.06091	0.7
247.09793	0.5
265.18237	0.5
267.19662	1.1
285.20712	6.8
286.21060	0.7
293.21091	0.9
316.24405	0.4
320.37354	0.4
327.16037	1.0
345.16962	2.7
361.23856	0.7
385.24030	0.5
389.16089	1.0
429.22784	33.0
430.23096	2.1
447.23856	15.3
448.24237	1.4
491.33627	0.5
521.27515	100.0
522.27863	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	521.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.8
61.98816	1.5
62.20031	1.0
69.57535	2.0
69.57941	5.1
71.01353	1.8
73.69124	0.9
77.50089	1.0
77.71126	0.8
87.00859	2.4
103.00381	1.4
112.98846	1.3
117.03468	8.6
119.05035	28.7
120.05334	1.0
121.02962	7.8
133.02959	18.6
134.03763	11.4
135.04538	30.0
137.02426	7.7
139.04010	2.2
141.61975	1.0
145.02954	52.7
146.03281	1.3
149.00935	1.7
150.03279	1.8
160.01515	1.0
161.02441	58.1
162.02863	1.4
163.04013	25.4
165.05585	1.4
177.01889	1.8
178.02681	4.6
179.03485	14.2
211.13445	3.5
221.19069	4.1
235.06221	0.9
246.10759	0.9
247.09802	1.3
265.18073	2.4
271.30521	0.9
278.16614	1.0
279.06042	0.9
283.19119	4.5
285.20758	5.0
293.21228	1.6
301.20227	4.1
327.15930	2.7
345.17014	9.7
357.06216	3.0
375.23694	2.8
380.26254	1.1
389.16129	1.7
429.22806	24.2
430.23047	2.9
447.23837	18.9
520.76953	2.6
521.27533	100.0
522.27850	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	521.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11884	2.5
51.87610	2.6
57.03447	3.0
58.00592	4.7
59.01377	100.0
60.01730	2.4
61.98824	6.8
63.46562	2.2
71.01379	24.3
71.61570	2.7
72.99310	10.3
73.02953	6.7
75.00883	4.6
79.90890	2.3
83.05044	2.1
85.02946	7.2
87.00874	41.9
89.02439	18.5
93.03488	6.5
99.00894	5.2
101.02449	13.2
103.00374	27.4
107.05025	13.3
108.02148	2.8
109.02953	5.3
112.98817	9.9
113.02450	9.1
119.05007	6.3
121.02946	6.8
122.03770	5.3
123.04519	4.5
125.02454	11.6
127.68259	2.1
130.99854	11.0
131.03551	5.8
133.02960	3.8
134.03769	15.9
135.04526	73.6
137.02446	12.7
145.02939	3.6
146.02054	2.1
147.03305	5.7
147.04512	5.2
149.00986	22.5
149.02342	18.8
149.04541	7.7
149.06082	3.2
150.03212	11.7
151.00366	4.1
151.03969	6.7
152.01125	7.6
153.01958	2.9
161.02402	6.3
161.04602	5.2
163.03996	6.2
164.04813	12.6
165.05563	49.4
165.12816	3.1
166.05046	2.4
175.02530	3.2
177.05582	2.9
178.02754	6.6
179.03494	6.7
179.07054	3.8
181.05078	3.0
191.05659	2.8
191.07167	3.6
193.01434	8.0
193.05101	18.3
195.06616	8.0
208.03751	15.9
221.04364	2.6
223.06094	81.0
224.06464	4.0
239.10742	3.5
243.07776	4.5
254.09354	3.0
255.10173	3.0
257.04807	2.4
267.06561	3.1
271.02518	4.7
272.10541	3.4
273.14850	3.0
282.08844	2.8
283.13275	4.8
289.07208	8.5
297.11404	4.6
298.12039	2.9
299.02100	3.5
300.02805	3.5
301.14392	20.4
314.04446	3.2
327.12289	6.9
327.16016	28.8
328.16272	3.2
329.13983	4.4
341.10358	13.9
345.17209	12.8
359.08698	19.9
389.12213	39.1
389.25528	26.4
390.12549	3.9
521.09558	2.6
521.13696	3.2
521.26196	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	521.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34688	2.6
58.00582	5.2
58.50778	3.1
59.01094	6.5
59.01378	100.0
71.01373	3.8
71.60236	3.3
72.99298	12.1
75.00861	6.6
87.00872	41.8
89.02441	6.7
103.00372	64.6
112.98793	13.5
121.02946	6.9
130.99860	10.2
134.03738	27.8
135.04460	4.6
137.02454	3.2
144.50922	3.1
149.00894	35.8
149.02414	11.4
149.06082	11.5
150.03241	30.5
161.45847	3.2
163.03970	4.0
165.05579	36.2
178.02721	17.4
179.05605	31.0
180.04314	4.3
180.06601	4.2
193.03310	3.9
193.05054	62.2
195.06635	31.6
232.17969	4.1
282.08896	7.4
341.10269	31.1
350.95197	3.0
389.12473	21.9
393.56146	3.6
406.51877	3.4
474.77774	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1612
Annotation	Daljanelin A
Peak:m/z	Relative Intensity
59.01364	1.6
61.98824	4.7
70.22855	4.3
71.01387	3.0
71.30299	1.0
76.44906	0.9
78.95904	87.2
96.96014	2.7
99.92587	25.8
100.92634	1.0
103.75641	0.9
110.98536	15.7
115.92082	16.9
116.84696	0.9
116.92105	1.5
116.92858	25.1
117.93653	1.8
150.97960	1.7
151.25484	1.0
155.95192	1.2
163.89754	1.6
164.99640	6.2
165.56664	0.9
167.01151	6.4
167.36922	1.1
178.88449	12.6
179.89221	34.9
180.90038	19.6
181.90804	3.0
185.02177	2.4
193.90782	46.1
194.90021	1.5
194.91585	18.4
195.92215	1.0
196.89484	100.0
197.89418	4.7
207.92354	1.1
210.91049	10.8
212.51642	1.0
217.21140	1.0
228.94890	1.2
235.91809	2.7
236.92586	4.8
248.92651	6.9
249.93436	4.9
250.94168	23.9
251.94276	1.6
252.92038	4.7
255.23279	1.2
266.93643	13.3
267.94327	3.4
284.94733	1.7
294.44473	1.2
345.16797	1.3
353.14291	3.0
473.13986	1.2
503.15231	12.4
504.15610	1.2
521.16113	96.9
521.32971	4.2
522.16327	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	521.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65469	1.2
56.04919	1.1
56.26516	1.0
59.00142	1.1
59.01388	17.8
62.36584	1.0
71.39581	1.8
72.99322	4.1
79.10291	1.2
84.15657	1.0
87.00878	22.7
103.00378	6.7
103.59911	1.0
107.28433	1.2
109.02956	4.1
111.00895	1.1
112.98829	23.6
115.14240	1.3
121.03011	1.4
127.00358	2.6
130.99878	3.4
133.02974	18.7
134.03758	24.3
135.04541	40.5
137.02472	8.7
139.00366	1.9
139.03981	2.0
147.86493	1.0
149.00932	13.3
150.03253	1.5
150.81856	1.1
154.99944	1.2
159.04417	1.3
161.02470	8.5
163.04012	3.2
165.12859	18.6
173.06100	2.0
175.04080	1.8
176.04767	1.9
177.01959	9.7
178.02707	14.4
179.03526	13.4
183.13904	60.3
184.14236	3.0
187.04025	4.2
191.03458	3.5
201.05656	1.3
202.06433	1.5
203.07147	1.5
205.05141	1.2
209.11961	1.3
211.13434	18.0
219.02986	12.3
227.12898	100.0
228.13138	5.4
229.08609	1.2
230.09380	2.3
231.02959	1.6
238.99486	1.2
247.09827	4.3
248.10510	2.7
283.13336	1.6
293.03052	19.3
294.03445	1.7
309.14847	3.3
327.16122	10.7
345.17093	34.6
346.17392	3.1
359.13495	42.2
360.13809	3.9
389.16010	8.4
432.03775	1.2
453.21686	1.3
521.33386	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	521.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
58.00596	0.5
59.01377	10.4
60.01704	0.6
61.98817	1.6
70.03533	0.7
70.03945	1.5
71.01376	5.2
71.10809	0.4
72.99303	1.5
73.02942	1.7
75.00858	0.7
77.54915	0.4
85.02962	1.6
86.98985	0.4
87.00874	6.0
88.98821	0.6
89.02441	1.7
90.65910	0.5
93.03458	39.9
94.03771	1.3
95.01394	0.7
95.84870	0.4
97.02946	0.6
99.00850	0.8
101.02457	2.3
101.03004	0.4
103.00378	1.7
107.05003	0.9
108.02185	0.7
109.02951	0.6
112.98830	1.6
113.02464	2.1
117.03455	6.5
119.05053	4.2
121.02951	1.3
123.04567	0.5
125.02377	0.5
125.09737	0.7
130.99820	0.8
131.05070	0.5
133.06606	1.2
134.03741	1.1
135.04518	1.5
136.01640	1.4
137.02444	100.0
138.02782	2.9
145.02946	24.6
145.37532	0.4
146.03326	0.8
147.04524	1.0
149.00923	3.9
149.02287	0.8
149.06047	1.1
150.03239	4.6
151.03990	1.4
152.01140	0.5
157.08672	0.5
159.04506	1.7
160.01663	1.2
161.02446	0.9
161.04504	1.0
163.04013	4.5
165.05582	3.2
171.10216	1.1
173.06104	0.6
174.03137	0.5
175.04028	1.4
177.05585	1.4
178.05942	0.5
179.03494	2.0
187.04021	4.0
187.59120	0.4
193.05098	0.7
195.06596	1.6
201.11314	1.1
202.06326	0.8
203.03508	2.8
204.07785	0.4
215.07260	0.5
215.12851	7.7
221.04578	1.7
244.10930	0.7
245.15546	0.5
255.13831	0.5
270.74203	0.4
273.15021	1.2
283.13354	1.6
299.07715	13.0
299.16565	0.7
301.14398	2.3
302.08008	0.9
307.08215	6.6
308.08704	0.7
311.13034	0.6
317.10297	2.7
327.16003	5.8
329.13687	1.0
345.17065	14.3
346.17395	1.3
371.15018	0.6
371.24496	1.9
383.10049	0.5
389.16367	4.5
389.25439	19.2
390.25732	1.2
408.53409	0.4
473.14526	11.7
474.15155	1.2
503.15576	1.4
521.18073	1.2
521.26331	3.5
521.33392	1.7
538.82623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25287	1.2
59.01379	18.8
71.23041	3.2
72.99302	1.7
87.00874	26.2
93.03453	1.8
95.39091	1.4
103.00368	4.4
112.54538	1.2
112.95063	1.2
112.98759	1.5
121.02965	2.9
122.03718	7.5
123.04514	5.0
125.00281	1.3
130.99956	1.7
133.02936	3.5
134.03751	66.2
135.04448	1.6
137.02467	7.0
147.04510	4.4
148.05299	5.2
149.00943	6.3
149.02441	12.0
149.06105	14.5
150.03226	57.4
151.03996	15.5
162.03238	1.5
162.06857	2.5
164.04779	3.6
165.05568	76.1
166.05881	3.3
171.49678	1.5
176.04826	3.5
178.02713	26.1
180.04276	5.0
181.05064	17.7
191.07162	20.4
192.04219	1.6
193.05060	100.0
194.05498	4.9
195.06621	26.9
195.08275	2.3
196.06993	2.5
251.06934	1.7
267.06662	8.6
269.04489	2.1
279.06659	5.6
282.08917	9.7
294.08942	4.5
297.11234	15.4
298.11389	1.9
299.09106	2.3
309.11383	4.5
327.12369	36.1
327.16193	2.7
328.12671	2.9
341.10367	3.0
359.11417	8.4
371.11414	2.1
389.12427	93.2
390.12646	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
57.03437	2.7
57.40311	1.6
59.01093	2.3
59.01376	35.5
61.98516	3.5
61.98829	51.8
69.49883	12.1
69.50306	4.7
71.01378	23.2
72.99309	5.4
73.02950	11.6
75.00859	2.3
83.01380	4.5
83.61108	1.9
85.02948	13.5
87.00864	11.3
89.02451	10.5
95.01437	2.1
99.00900	3.2
100.09653	1.9
101.02435	20.6
101.73325	2.2
103.00372	2.6
108.02177	54.3
109.02966	19.3
111.00825	2.2
112.98808	4.1
113.02451	9.9
119.03478	4.6
119.09146	2.1
121.02959	27.3
123.04614	1.9
125.02505	2.0
128.03543	2.2
134.03737	2.0
135.04500	2.5
141.50597	1.9
143.03564	2.1
143.04651	3.4
143.10803	3.6
149.00854	10.4
152.01149	100.0
153.01816	6.3
159.04521	3.9
161.04527	5.4
163.03984	4.0
165.12810	3.6
172.49863	1.7
173.06044	1.8
175.04089	2.5
175.35429	1.8
183.13882	9.9
187.03984	24.0
201.05586	2.3
202.06343	6.4
227.12863	14.4
283.13318	7.2
285.06284	2.6
299.16446	3.6
301.14340	7.3
309.14789	2.4
313.24792	2.0
317.05682	2.2
317.17758	3.1
327.16016	18.2
329.13907	3.9
345.17059	59.2
346.17197	4.0
359.27985	6.4
373.25797	6.7
389.16083	12.1
389.25436	20.7
399.09341	40.6
400.09552	2.5
413.67014	2.3
521.12976	97.3
521.25732	3.3
521.33417	39.3
522.13190	10.0
522.33319	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	521.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	3.3
59.01380	100.0
67.39583	1.0
70.99882	2.6
72.99316	4.2
82.65066	1.0
86.82018	1.1
87.00876	37.3
89.02370	1.5
103.00373	43.5
104.71523	1.2
112.98814	8.7
121.02965	9.8
122.03737	4.2
130.99863	17.0
134.03737	30.7
135.04509	2.6
137.02441	3.2
139.04050	1.2
142.34161	1.2
149.00900	26.9
149.02417	12.1
149.06024	7.0
150.03223	31.6
156.40355	1.2
164.04727	1.9
165.05574	38.2
166.05898	1.7
178.02733	14.1
179.58476	1.0
180.04280	2.5
193.05052	57.2
194.05421	2.4
195.06627	25.3
196.06880	1.8
239.07187	2.5
250.06276	2.1
267.06586	1.8
282.09048	6.5
335.35196	1.3
341.10327	26.5
342.10678	2.8
389.12375	17.7
390.12723	1.9
473.72452	1.2
532.06750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	4.7
59.01379	100.0
60.05487	0.9
60.82022	0.9
69.52428	7.1
72.99306	7.7
74.48572	1.0
87.00874	40.9
103.00374	44.7
112.98806	10.3
121.02956	2.1
122.03770	5.8
126.40576	1.0
129.62389	0.9
130.99863	15.1
133.02960	1.5
134.03748	33.1
135.04082	1.4
137.02428	5.3
137.21675	1.2
149.00902	30.0
149.02402	7.3
149.06078	11.2
150.03224	40.4
151.03610	2.5
164.04784	1.9
165.05566	42.9
166.05891	2.7
178.02707	19.3
179.03108	1.2
180.04237	3.0
192.87096	1.2
193.05063	67.5
194.05388	4.1
195.06628	27.7
196.06831	1.1
274.60550	1.0
282.08893	1.2
341.10217	2.2
357.07407	1.1
389.12482	7.5
544.00336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82986	1.6
61.98834	100.0
69.45728	14.7
71.68630	1.7
83.11536	2.0
85.91868	1.7
96.96003	2.5
100.42121	1.7
129.88669	2.0
185.85309	2.0
200.15993	1.9
204.51138	2.0
207.07907	1.8
213.54419	2.2
296.71887	2.1
338.43884	2.1
345.16949	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	1.3
59.01380	23.3
60.08525	1.3
61.98835	10.5
69.61459	8.6
71.01371	4.4
72.99284	2.6
78.69103	1.1
83.01399	1.2
83.19122	1.1
85.02939	1.4
87.00887	11.2
87.08899	1.2
88.98796	2.0
93.03446	4.7
96.96036	2.7
98.20601	2.5
99.00873	4.5
103.00372	12.3
107.03313	1.1
109.02937	1.8
111.00904	1.4
112.93120	1.1
112.98785	2.7
117.03466	1.8
119.04988	4.2
121.02934	2.8
127.46622	1.3
130.04213	1.7
130.99825	3.4
131.05019	3.0
132.05789	4.2
133.02962	1.8
133.06615	6.0
134.03738	6.5
135.04491	2.6
137.02470	2.1
143.05057	1.4
145.03011	1.6
145.06554	6.0
147.04506	14.6
149.00893	8.0
149.02402	2.1
149.06055	5.3
150.03250	7.7
157.06567	3.8
160.05298	1.9
161.06041	3.2
163.04143	2.2
165.05585	9.5
169.06525	2.4
173.06053	7.3
175.03972	4.5
175.07565	4.0
177.05508	5.0
178.02682	3.8
187.07646	15.6
189.05580	15.3
190.05922	1.5
191.07095	5.3
193.05048	15.8
195.06656	6.4
199.07741	1.8
201.05565	19.1
203.03482	3.7
205.05026	5.7
219.06616	13.6
221.04567	9.2
235.05934	1.3
261.07703	3.7
263.05569	18.2
264.05905	1.8
279.08633	5.0
283.69598	1.3
309.30511	1.2
323.07712	100.0
324.07925	4.9
341.10242	5.6
343.92651	1.2
383.09726	1.9
389.12347	3.2
399.09259	1.3
485.12793	4.3
521.10577	34.3
522.11060	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	520.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76958	4.1
61.98832	100.0
65.05355	4.5
68.84765	5.5
70.08206	4.2
71.48045	4.7
72.18178	4.2
73.87553	4.6
112.95483	4.7
117.41872	4.6
119.46040	4.5
123.23172	4.7
138.16818	4.8
144.90250	4.2
166.69421	4.9
182.89584	5.2
201.65730	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	520.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.45661	73.4
82.90955	11.3
85.24821	9.0
98.20586	16.9
125.15376	10.1
250.73306	9.7
500.93851	9.5
501.30859	9.3
535.54047	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	520.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	13.6
61.98825	74.7
67.01240	6.9
72.61060	7.1
72.79639	6.9
78.95905	74.9
96.96044	7.1
96.96951	7.0
99.92593	32.9
110.98512	11.6
115.92062	12.1
116.92854	27.8
141.88841	6.9
178.88445	19.7
179.89201	35.3
180.90038	22.2
193.90759	59.5
194.91515	22.1
196.89505	92.8
210.91060	9.3
215.86981	6.3
248.92422	7.9
250.94212	18.3
266.93680	8.1
272.34650	7.1
503.15375	7.6
521.16150	100.0
521.33148	23.8
532.88361	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	520.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81209	0.8
56.95951	0.7
60.82833	0.8
61.98830	100.0
69.29239	9.2
96.96033	1.3
116.25771	0.8
118.37817	0.8
152.25751	0.9
194.88002	0.8
428.10339	0.9
478.95450	0.8
509.64093	1.0
531.92535	0.9
536.04517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30282	0.4
59.01365	1.2
60.48385	0.4
61.98828	0.4
70.99946	0.6
78.43222	0.3
78.95903	45.2
96.96964	6.1
134.03697	0.4
144.87054	0.4
150.98016	1.9
152.99586	100.0
153.99921	1.2
171.00630	3.8
178.02704	0.4
183.34660	0.4
200.45830	0.4
205.08566	0.4
227.53514	0.4
248.28958	0.4
279.23297	1.1
345.17184	0.7
385.88159	0.4
398.39520	0.4
433.23572	23.6
434.23947	2.6
497.60663	0.4
520.26581	3.8
520.33185	0.4
549.48889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04765	1.9
59.01384	100.0
61.98827	5.3
78.95901	6.7
95.60064	1.7
144.88417	1.7
150.56082	1.7
152.99596	13.2
203.14975	1.9
340.25629	2.6
340.85559	1.9
519.32410	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	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
58.57536	0.5
59.01381	39.2
60.01717	0.5
61.98830	100.0
62.99798	0.5
69.58664	3.3
71.01386	3.7
73.02950	1.1
81.73076	0.5
83.01421	0.7
85.02962	1.0
87.00884	2.1
89.02449	1.7
95.01399	0.6
98.20644	0.5
101.02466	2.2
103.00406	0.8
108.02216	0.6
112.98787	0.6
113.02477	1.8
119.03516	0.6
130.08759	0.5
135.04562	1.3
149.00934	1.7
150.03377	0.6
151.00404	0.5
161.04619	1.7
179.05702	0.5
187.04106	1.7
203.03622	1.0
203.05542	0.6
204.03798	0.6
215.12959	1.0
219.03195	0.5
270.42398	0.5
272.10809	0.5
283.13559	0.7
301.14651	0.9
311.13171	0.7
327.16199	1.4
345.17047	6.1
371.20602	0.9
388.24402	0.9
389.16385	1.3
389.25488	7.8
437.21741	0.5
500.21289	0.5
521.26080	0.7
534.30524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95145	0.6
55.01891	1.0
57.03443	1.2
58.02971	1.0
58.23106	0.6
59.01381	22.9
61.98830	100.0
69.03452	0.7
69.46862	4.4
71.01382	13.5
72.99314	2.1
73.02949	10.4
74.02473	2.0
83.01390	4.0
85.02949	5.7
87.00876	5.1
89.02444	4.2
95.01415	1.0
97.02983	1.1
99.00928	1.6
99.04524	0.5
99.05653	1.0
101.02442	15.1
103.00390	1.0
108.02179	8.9
109.02965	8.0
111.00945	0.7
112.98808	2.2
113.02444	6.9
119.03510	2.2
121.02941	5.6
123.00881	0.9
125.02442	0.8
128.03534	2.9
130.99878	1.0
131.03528	1.1
133.02960	1.0
134.03755	1.2
135.04515	3.0
136.04860	0.9
137.02493	0.9
143.03517	1.4
143.04640	4.4
143.10800	1.2
149.00879	3.3
149.04576	1.7
152.01158	17.8
153.01974	2.7
158.03763	0.8
159.03088	0.7
159.04529	0.8
161.02470	1.0
161.04549	4.4
163.04073	1.5
164.03534	1.2
165.12862	0.8
179.03418	1.3
180.03798	0.6
183.13971	1.0
187.03996	7.6
193.05128	1.7
201.05499	0.9
202.06422	1.5
204.07930	0.7
210.08850	0.8
211.07492	0.7
215.07072	0.7
219.03000	0.7
227.12944	2.5
229.12218	0.7
229.18056	1.0
254.07861	1.4
271.02542	1.7
272.02832	2.9
272.08936	2.6
283.13394	2.0
299.02002	2.4
299.16373	0.7
300.02191	3.5
301.03006	1.0
301.14429	2.4
308.07477	0.8
315.05017	1.5
316.05481	2.3
326.08902	0.7
327.15979	4.5
345.17084	16.4
345.20926	0.8
356.61084	0.6
359.28085	2.7
373.25940	1.1
389.16382	2.7
389.25461	5.0
391.19299	0.9
399.09412	8.0
520.11951	3.2
520.23682	5.5
520.31476	1.0
521.12964	22.0
521.25525	0.9
521.33331	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	519.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	95.4
60.01709	1.1
61.98829	5.8
71.01373	5.8
71.49837	1.7
72.99304	1.0
73.02944	1.8
74.67583	0.7
83.01398	1.2
83.87628	0.7
85.02945	2.9
87.00868	5.1
89.02431	2.5
95.01425	0.8
99.00905	1.1
101.02444	3.9
103.00394	1.3
107.01454	1.0
108.02212	1.2
112.98804	1.8
113.02455	5.0
119.05012	1.9
133.02933	1.0
135.04518	3.1
147.93468	0.7
148.01602	1.2
149.00914	14.3
151.00357	0.9
161.02438	1.2
161.04567	1.8
163.04068	0.9
163.65681	0.8
173.06032	0.8
179.03519	0.9
182.14758	0.7
199.03998	0.8
226.02759	1.3
227.03447	1.8
243.02946	7.6
254.02296	1.4
255.02962	17.6
256.03290	1.3
271.02469	42.8
271.05759	1.9
272.02921	4.1
299.01990	7.4
300.02734	89.3
301.03076	6.9
315.05084	100.0
316.05408	9.1
325.14456	1.1
343.15567	3.0
357.26517	0.9
369.13492	1.4
387.14520	1.0
387.23877	3.4
399.19043	1.4
399.23904	14.9
399.28726	0.5
400.24252	1.5
417.24945	3.1
459.25983	2.6
519.11469	5.4
519.24493	2.1
519.31860	3.2
520.10822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36787	0.6
56.89124	0.5
57.03456	0.5
59.01380	100.0
60.01698	0.5
69.34131	3.5
69.34549	1.6
71.01388	8.2
72.99333	0.6
73.02962	1.9
73.80782	0.5
83.01390	1.3
85.02958	2.6
87.00883	1.5
87.04524	0.7
89.02474	2.4
99.00919	0.9
101.02444	4.2
101.06113	1.0
106.43108	0.6
107.50398	0.5
111.79268	0.5
112.98901	0.5
113.02481	4.0
116.91068	0.5
119.03543	1.2
125.02458	0.9
129.46405	0.5
149.00945	1.7
158.00955	0.6
161.04594	1.9
179.05629	0.6
214.06319	0.6
251.44661	0.5
297.20792	1.3
325.14557	2.2
343.15433	3.0
387.14331	0.6
399.23889	9.7
400.24435	1.2
417.24918	9.7
418.25558	0.9
459.26163	2.2
519.25165	0.8
519.32214	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	519.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98813	2.0
75.94451	1.0
78.95894	2.3
96.95996	1.3
98.20660	2.0
99.00861	1.2
144.68909	1.1
152.99568	3.8
181.12372	1.0
183.13922	2.2
207.10234	2.6
225.11270	4.4
243.12395	9.2
285.77069	1.0
488.69794	1.4
519.33075	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98840	1.9
78.95893	2.5
87.98637	1.2
110.98493	1.3
119.77436	1.1
121.73091	1.1
152.99576	2.8
171.10248	2.3
185.96849	1.1
194.90068	2.6
223.96286	1.3
291.19623	1.8
322.68637	1.4
519.16345	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	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.8
59.01379	100.0
60.58850	2.7
61.98840	16.4
61.99099	3.1
70.45599	10.5
71.01389	40.2
72.99314	4.7
73.02955	11.5
81.03459	3.2
83.01360	6.8
83.15984	2.9
85.02947	14.0
87.00876	18.1
89.02444	17.9
95.01423	5.0
97.02969	3.2
99.00880	3.7
101.02452	23.9
110.02612	2.6
112.98825	6.4
113.02444	19.6
119.03500	11.5
133.03003	3.2
135.04555	23.2
136.04897	2.9
143.03563	4.5
147.17552	3.1
149.00960	8.2
151.04019	4.9
161.02420	5.5
161.04593	5.1
163.03981	3.4
170.52025	3.2
179.03471	16.1
179.05634	8.0
183.52531	3.1
219.02972	7.5
223.06071	6.9
224.06450	3.8
225.77824	2.7
238.75395	3.2
271.02551	5.3
293.03064	8.5
299.01938	11.1
300.02548	4.1
315.05038	6.3
357.13574	5.4
387.19974	3.6
387.23953	34.2
388.24216	4.6
415.23340	23.9
416.23492	3.1
433.24374	14.1
519.11230	8.5
519.24133	8.9
519.31805	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	519.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23588	0.4
59.01391	3.9
61.98825	2.6
62.26891	0.4
67.15772	0.4
69.32143	1.5
69.32572	2.5
71.01395	1.0
72.99319	0.5
83.01387	1.5
89.02445	0.8
101.02438	0.5
107.87821	0.4
109.02957	5.5
121.02959	0.9
121.06644	1.0
122.03773	0.5
123.04536	3.1
124.23158	0.5
129.03452	0.5
135.04514	4.2
137.06094	1.2
145.02963	1.3
147.04500	1.5
148.05290	1.5
149.06084	100.0
150.03255	0.6
150.06409	4.1
159.04480	1.0
161.02510	0.8
161.06085	1.8
162.03191	0.8
163.04016	4.5
163.07727	0.8
164.04753	0.9
165.05560	1.4
173.06084	1.6
175.03978	2.5
176.04782	3.7
179.07144	2.3
189.05621	1.0
191.07109	5.1
193.05042	6.8
194.08240	1.1
203.07150	1.6
205.05084	1.9
217.05003	1.1
221.04681	1.0
223.06100	2.6
235.06178	0.8
237.04048	16.4
238.04486	0.8
249.53966	0.5
251.09367	1.2
255.77356	0.5
265.07385	0.5
269.10254	2.6
277.07236	1.2
279.05045	0.7
295.08276	4.6
296.08575	0.4
313.09293	17.3
314.09720	1.2
319.69595	0.4
339.07187	9.4
340.07681	0.5
357.08328	1.2
369.76871	0.4
399.09311	9.2
399.14297	0.7
400.10004	0.8
475.14648	0.9
501.12509	3.3
502.12912	0.6
519.13550	37.5
520.13898	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	519.1144
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01380	3.2
69.50246	1.6
69.50669	2.0
74.69000	0.4
79.04038	0.5
87.00883	1.2
112.98805	1.8
148.01698	1.1
149.00885	1.6
151.00366	2.3
178.11725	0.5
199.03960	1.1
210.06145	0.5
215.03432	0.8
216.04172	0.7
226.02791	0.8
227.03465	2.6
243.02979	6.0
254.02173	1.3
255.02985	17.3
256.03448	1.3
271.02469	39.6
272.02969	3.8
277.03552	1.1
299.01956	8.6
300.02750	96.8
301.03137	6.3
315.05099	100.0
316.05457	8.7
369.13388	1.0
453.54422	0.5
459.09106	2.0
504.08951	1.3
519.11438	20.6
520.11926	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	519.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09811	0.4
57.03454	0.5
59.01379	7.9
60.01714	0.3
61.98841	2.3
67.12537	0.3
67.71149	0.3
69.32687	2.0
69.33095	0.9
71.01377	1.4
72.99294	0.4
73.02962	0.6
77.71841	0.3
83.01425	0.4
85.02927	0.3
87.00904	0.8
89.02431	0.8
98.20827	0.3
99.00854	0.4
101.02448	0.9
103.00387	0.5
107.01372	0.5
108.02192	0.6
112.98842	0.3
113.02454	0.7
119.03564	0.4
130.99809	0.3
133.02971	0.4
134.69392	0.3
135.00890	0.4
135.04494	0.7
136.56781	0.4
148.01691	0.9
149.00874	1.4
151.00372	1.0
161.02391	0.4
163.00351	0.5
164.01106	0.6
179.03482	0.7
199.03964	0.6
226.02672	0.5
227.03445	1.7
243.02988	6.8
244.03400	0.8
254.02251	1.8
255.02977	18.2
256.03372	1.0
271.02472	42.4
272.02975	2.9
299.02002	7.0
300.02747	91.3
301.03076	5.6
314.04169	0.3
315.05090	100.0
316.05438	5.8
333.92175	0.3
343.15634	0.5
374.81659	0.3
387.23709	0.9
399.24097	0.6
519.11438	2.5
519.25146	0.6
519.32074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1143
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
52.86911	0.4
55.01863	0.5
57.03445	1.7
59.01377	16.5
61.98817	2.7
62.29863	0.4
63.02393	1.0
64.89110	0.4
65.00319	3.2
69.29762	4.4
71.01376	8.1
71.05011	0.4
72.99313	1.4
73.02963	3.4
83.01387	3.2
85.02946	3.5
87.00887	3.7
87.04543	0.5
89.02444	4.7
93.03478	0.8
95.01388	0.9
97.06561	0.5
98.19786	1.0
99.00863	1.5
101.02443	5.7
103.00391	0.7
107.01383	6.0
108.02167	0.6
109.02961	1.4
109.06563	0.7
111.00900	0.7
112.98834	2.3
113.02456	4.0
119.03506	1.3
119.05017	5.3
121.02931	0.9
123.00891	0.7
123.04511	0.8
123.08138	0.7
124.01645	0.7
125.02455	1.4
131.03525	1.0
133.02963	2.0
134.03746	2.5
135.04521	7.1
136.01576	0.6
136.04866	0.9
136.41508	0.4
137.02448	1.9
143.03537	0.6
145.02954	1.5
147.04495	0.9
148.01691	1.6
149.00900	3.5
149.02267	1.1
149.04561	1.2
149.06126	1.0
149.13969	0.5
149.99538	0.8
151.00369	15.9
151.03938	0.6
161.02504	2.3
161.04532	2.4
163.04012	2.1
163.11354	0.7
164.01178	2.0
165.01825	0.6
169.01439	0.8
169.95221	0.6
171.04532	0.7
172.05339	0.5
174.03143	0.6
175.03937	1.1
177.01970	1.9
179.03494	3.7
180.03690	0.6
181.05110	0.8
181.12448	0.5
185.06087	0.5
187.04053	0.5
189.12749	0.6
190.02681	0.8
191.03500	1.0
193.05043	1.8
198.03204	0.7
199.04013	1.3
200.04753	1.2
201.01965	1.0
203.03494	3.0
205.05060	0.7
207.13925	1.2
211.03853	0.5
212.04707	0.5
214.02716	1.8
215.03516	1.8
216.04219	0.6
219.02985	2.3
223.06071	0.8
227.03464	3.4
228.04266	2.0
229.01331	0.7
230.02222	2.6
231.02977	2.5
232.03702	6.2
238.02577	0.5
243.02956	4.2
244.03772	1.0
255.03110	1.4
256.03735	2.1
271.02472	23.0
271.06076	8.6
272.03030	3.5
272.06122	0.7
277.03586	0.8
282.01675	1.0
293.03018	1.9
299.01956	18.0
300.02731	77.8
301.03052	5.3
314.04190	0.6
314.11716	0.6
315.05087	100.0
316.05417	7.1
325.14493	0.8
343.15625	0.9
345.87009	0.5
375.27328	0.7
387.10260	0.7
387.14529	1.9
387.19495	1.0
387.20432	0.5
387.24036	4.7
459.09518	1.1
475.12399	2.0
477.10242	1.0
519.11420	41.5
519.24359	7.2
519.31836	4.1
520.11627	4.8
520.32233	0.6
522.82001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
63.73969	1.2
64.82418	1.2
70.29387	3.9
70.29760	2.3
92.98671	1.2
99.44074	1.2
101.15337	1.1
118.39171	1.3
203.25150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1143
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01389	2.3
61.98830	0.4
63.02415	0.6
70.12766	0.5
70.13156	0.5
71.01395	0.6
73.02976	0.3
83.01402	0.4
98.20590	0.3
101.00301	0.2
101.02432	0.5
107.01411	1.0
109.02964	0.9
113.02483	0.3
128.03571	0.3
133.02951	0.9
135.04517	0.6
137.05191	0.2
143.04901	0.5
145.02928	0.3
147.00908	0.3
149.00856	0.4
149.02441	0.3
151.00397	1.5
157.02916	0.3
161.02458	0.3
163.00337	0.6
171.04561	1.5
173.02341	0.3
175.04007	1.1
177.06932	0.3
183.04514	0.4
187.04036	0.6
197.02368	0.3
198.03256	0.4
199.03996	5.1
200.04373	0.3
201.01878	1.6
203.03516	0.3
213.02051	0.2
215.03502	2.4
225.01970	0.4
226.02744	1.7
227.03496	3.5
228.04170	0.4
232.76898	0.2
242.02138	0.5
243.02966	6.3
244.03433	0.3
254.02246	1.3
255.02962	2.0
258.05023	0.3
271.02472	69.8
272.02859	4.4
282.01764	0.5
299.01971	100.0
300.02643	22.3
301.03085	1.1
314.04269	0.7
315.05106	50.8
316.05414	3.1
357.06128	0.9
371.41422	0.3
387.20050	0.6
387.24463	0.3
504.09134	20.7
505.09451	2.6
519.11438	63.9
520.11774	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	518.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
64.36211	7.9
68.09990	7.6
70.37191	18.7
96.96047	8.1
173.73195	7.2
180.53374	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	518.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13485	7.8
61.98831	100.0
67.51291	6.1
70.74765	17.5
70.75141	15.2
84.58276	7.0
96.96004	10.1
121.77689	7.1
129.56253	7.4
241.52237	7.2
265.71307	7.8
414.33502	8.2
430.32516	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	518.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
69.44661	7.6
69.45097	13.1
75.07468	2.5
77.87716	2.3
102.01456	2.6
116.92896	2.4
118.81836	2.7
147.58073	2.2
169.30022	2.7
176.19020	2.1
196.23839	2.2
369.86414	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	518.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88776	0.3
59.01381	0.7
61.98832	100.0
70.90935	0.3
71.01379	0.7
71.62247	0.5
96.83209	0.3
134.03738	1.3
135.04562	0.4
178.02684	0.3
192.04352	0.8
215.91829	0.3
333.55292	0.3
356.15875	1.1
403.17664	0.9
441.23016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.22081	4.9
61.98828	90.2
65.01783	4.6
71.61714	6.0
78.95889	25.3
96.96005	5.9
140.73665	4.5
152.99577	52.2
518.21539	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	518.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
61.98833	8.9
65.69251	0.3
78.95908	44.5
81.93230	0.3
96.96964	6.2
105.13963	0.4
150.98051	1.8
152.99594	100.0
153.99951	1.1
171.00623	3.3
185.02242	0.9
207.10141	0.4
230.87180	0.4
277.21942	0.5
332.45145	0.3
333.24344	10.8
351.25455	3.5
411.19879	0.3
431.22028	19.6
432.22403	1.7
518.25269	3.7
519.27197	3.3
519.36017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.8
58.02969	1.6
59.01377	58.9
60.01716	1.5
60.09680	0.7
61.98830	100.0
70.13258	1.4
70.13663	1.8
71.01379	13.0
72.99284	1.4
73.02945	13.3
74.02485	4.0
82.02975	1.1
83.00935	0.7
83.01388	4.9
85.02951	3.4
86.02464	1.6
87.00860	2.6
87.05617	1.3
89.02438	5.1
95.01393	1.2
98.20521	1.3
99.05648	3.0
101.01852	1.4
101.02444	14.7
109.02932	0.8
109.04037	0.9
112.98795	3.1
113.02459	8.8
119.03500	2.0
119.05016	0.9
123.00841	0.8
125.02454	1.2
128.03557	10.1
131.03458	1.6
133.02908	0.9
135.04562	7.4
135.05530	1.4
136.04848	0.9
137.02448	0.8
137.09718	2.2
141.06662	1.1
141.09157	1.2
143.03520	2.0
143.04593	13.8
146.04584	1.4
149.00896	3.9
149.04527	2.8
160.00711	3.9
161.02458	1.6
161.04547	7.8
163.03957	1.6
166.09877	1.2
175.03929	1.2
177.03355	2.1
179.03419	3.1
179.04668	2.4
180.03836	1.0
189.12798	0.8
191.03506	1.0
207.06697	1.0
210.08817	2.7
219.02913	1.6
221.06619	1.3
223.06142	1.0
254.07831	3.3
255.03006	1.0
271.02481	7.1
272.08838	7.7
285.04089	4.2
288.06595	3.2
293.02972	1.1
299.01993	11.1
300.03043	1.7
300.06406	2.7
306.07654	28.8
307.07867	1.0
315.05081	5.3
315.08728	5.0
324.49847	0.9
325.14523	0.9
327.34952	0.8
343.15494	1.4
376.76489	0.9
387.14728	1.0
387.23846	2.3
504.08835	2.5
518.22620	1.3
519.11261	5.6
519.23663	1.1
519.31763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.188
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.8
58.02969	1.6
59.01377	58.9
60.01716	1.5
60.09680	0.7
61.98830	100.0
70.13258	1.4
70.13663	1.8
71.01379	13.0
72.99284	1.4
73.02945	13.3
74.02485	4.0
82.02975	1.1
83.00935	0.7
83.01388	4.9
85.02951	3.4
86.02464	1.6
87.00860	2.6
87.05617	1.3
89.02438	5.1
95.01393	1.2
98.20521	1.3
99.05648	3.0
101.01852	1.4
101.02444	14.7
109.02932	0.8
109.04037	0.9
112.98795	3.1
113.02459	8.8
119.03500	2.0
119.05016	0.9
123.00841	0.8
125.02454	1.2
128.03557	10.1
131.03458	1.6
133.02908	0.9
135.04562	7.4
135.05530	1.4
136.04848	0.9
137.02448	0.8
137.09718	2.2
141.06662	1.1
141.09157	1.2
143.03520	2.0
143.04593	13.8
146.04584	1.4
149.00896	3.9
149.04527	2.8
160.00711	3.9
161.02458	1.6
161.04547	7.8
163.03957	1.6
166.09877	1.2
175.03929	1.2
177.03355	2.1
179.03419	3.1
179.04668	2.4
180.03836	1.0
189.12798	0.8
191.03506	1.0
207.06697	1.0
210.08817	2.7
219.02913	1.6
221.06619	1.3
223.06142	1.0
254.07831	3.3
255.03006	1.0
271.02481	7.1
272.08838	7.7
285.04089	4.2
288.06595	3.2
293.02972	1.1
299.01993	11.1
300.03043	1.7
300.06406	2.7
306.07654	28.8
307.07867	1.0
315.05081	5.3
315.08728	5.0
324.49847	0.9
325.14523	0.9
327.34952	0.8
343.15494	1.4
376.76489	0.9
387.14728	1.0
387.23846	2.3
504.08835	2.5
518.22620	1.3
519.11261	5.6
519.23663	1.1
519.31763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89692	0.8
59.01097	1.1
59.01378	18.2
61.98830	2.3
62.74861	0.8
71.01383	6.6
71.62093	1.0
73.02950	3.0
83.01390	0.8
85.02942	2.1
86.02473	9.2
87.00871	2.4
88.04033	1.7
89.02463	5.6
90.82944	0.8
95.01403	1.2
99.00884	4.2
101.02444	4.0
107.05009	3.2
108.02135	1.4
109.02957	8.1
112.98805	1.1
113.02439	4.4
117.03474	15.6
117.80013	0.9
119.05015	9.2
121.02959	3.5
122.03754	10.7
123.04524	15.0
134.03723	3.2
135.04523	65.3
136.04848	2.5
137.02432	2.2
138.02002	1.0
145.02945	73.9
146.03313	3.3
148.07680	1.9
149.00894	2.5
149.02440	1.0
149.04582	3.7
149.05965	1.4
150.05656	1.1
154.02669	1.5
159.04524	1.0
161.02379	1.0
161.04541	3.0
163.03999	8.5
163.11327	0.9
164.07124	2.1
179.03493	47.7
180.03850	2.0
191.05681	1.6
193.04999	1.0
207.13756	1.5
210.07703	100.0
211.07985	4.1
233.06496	1.4
235.47655	0.9
254.48695	0.8
281.08392	0.8
295.06335	0.9
307.08209	34.3
308.08615	2.5
312.12268	1.0
354.11777	1.4
356.11264	3.3
357.08957	1.0
372.12952	68.7
373.13351	5.1
387.10849	12.8
492.10547	0.9
518.16595	34.3
518.23309	1.2
519.16937	3.2
519.24438	5.9
534.65942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27668	0.8
59.01381	100.0
60.01728	1.1
61.98831	5.5
71.22028	1.7
78.95889	2.1
92.76691	0.9
94.41958	0.9
118.64050	0.8
125.24912	0.8
126.81136	0.9
152.99565	3.7
157.65903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72646	0.6
59.01379	100.0
60.01698	0.8
62.12000	0.6
63.01963	0.8
70.03949	2.5
70.04302	0.7
71.01389	0.9
78.95922	0.9
86.39607	0.7
87.00884	1.9
88.87418	0.6
98.19806	0.6
101.02526	0.9
103.00360	0.7
112.98785	1.8
172.37596	0.7
176.04784	1.3
218.05183	0.7
231.14142	0.9
248.40373	0.9
273.14987	1.5
277.21777	5.7
278.22012	0.7
283.13562	1.4
283.63522	0.7
291.16190	0.8
294.15686	0.8
301.14523	1.9
301.68481	0.9
327.16162	1.2
330.56183	0.6
345.17169	1.9
347.84149	0.7
363.18323	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14235	0.9
59.01381	100.0
60.01697	1.2
61.94734	1.0
61.98830	2.9
71.17736	1.9
78.95911	3.6
87.00894	1.0
114.07484	1.0
117.55824	1.0
149.00906	1.1
152.99611	3.3
178.40225	1.0
277.21771	1.7
281.24484	1.0
401.45923	1.0
407.29260	1.0
470.95712	0.9
517.31580	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	517.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21195	0.9
59.01382	100.0
61.71853	0.7
61.98823	1.4
70.24203	3.4
71.01388	3.9
89.02468	2.3
101.02438	2.9
113.02416	1.9
117.02586	0.7
160.81662	0.8
161.04572	1.3
216.42754	0.8
235.08121	1.1
253.09322	9.2
281.24863	78.6
282.25296	5.4
490.07144	0.9
525.49359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29463	1.4
53.02358	1.2
56.23087	1.5
58.66670	1.5
59.01381	100.0
61.98836	4.5
62.87084	1.4
71.17101	2.4
72.99309	2.6
78.95914	6.1
80.66283	1.4
82.64780	1.3
85.94853	1.6
87.00888	5.9
98.66488	1.5
103.00386	4.1
103.19648	1.4
112.98833	1.6
141.06139	1.5
142.41040	1.5
149.00900	2.8
152.99634	1.7
184.37659	1.5
184.81047	1.4
188.01227	1.6
189.93123	1.9
196.06882	1.5
258.36139	1.7
279.23270	5.7
280.23639	8.1
325.14487	3.7
517.31683	4.8
518.31097	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86906	0.4
57.03450	0.6
58.00580	0.6
59.01380	49.9
60.01726	0.4
69.34950	3.8
71.01380	1.6
71.05034	0.5
71.96697	0.4
72.99299	0.8
73.02940	1.4
85.02959	0.7
87.00876	10.3
87.04487	0.6
89.02438	0.6
90.47017	0.4
93.69729	0.4
94.00677	0.3
99.00883	0.4
99.04491	0.6
101.02431	1.3
103.00364	3.3
112.98823	1.7
117.48906	0.4
121.02934	0.7
130.99826	1.2
134.03793	0.5
135.04509	1.6
139.11310	0.7
149.00932	0.5
157.12350	0.9
161.02437	0.6
163.04007	0.6
169.12300	1.1
179.03493	0.6
185.11858	1.2
196.71643	0.4
215.12865	1.1
265.94263	0.4
305.24905	1.6
323.25845	2.8
339.25372	1.0
341.26993	9.8
342.27136	0.7
349.23911	1.5
355.15500	0.8
355.24829	0.7
367.24854	5.8
385.25949	100.0
386.26288	9.9
517.25830	5.5
527.82373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
61.93641	0.4
61.98817	0.6
68.09895	0.4
69.26965	4.2
71.01376	0.9
77.27337	0.4
78.61681	0.4
78.95940	0.4
83.01366	0.4
83.05029	0.4
101.02474	0.6
108.02175	0.8
109.02963	1.2
117.91512	0.4
121.02960	2.3
123.00911	0.9
124.01669	2.6
125.02448	0.6
134.03754	4.2
135.04546	2.9
135.05435	0.5
136.01660	0.5
137.02496	0.8
138.03239	1.2
139.03990	1.5
146.37558	0.4
147.03482	0.4
147.04517	2.3
147.08173	0.8
148.05333	3.7
149.02443	2.1
150.03227	18.5
151.04063	2.4
152.04829	0.5
160.05286	1.3
161.02429	0.5
161.05995	0.6
162.03241	0.5
163.04015	2.7
164.04808	1.0
165.05569	11.0
173.06049	0.6
175.07623	1.4
177.05556	0.8
177.09216	13.3
178.09581	0.6
179.03441	0.4
187.07625	1.7
188.08415	1.7
189.09193	11.3
190.09816	0.5
193.20364	0.4
201.09207	1.0
203.10777	41.4
204.11159	1.8
215.10771	1.0
217.12251	0.7
227.07040	0.6
253.05211	0.5
256.03857	0.8
258.41415	0.5
271.06122	3.3
271.68344	0.5
286.08560	2.5
297.07642	1.6
323.12827	1.5
325.10925	0.8
339.12512	0.5
340.13126	3.7
354.63260	0.4
355.15509	100.0
356.15826	9.8
444.60034	0.5
517.20776	10.9
517.32703	0.9
518.21082	1.8
528.94867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.3
58.00587	2.9
59.01381	73.4
60.01738	1.0
61.98819	1.4
63.21007	0.8
65.75776	0.7
69.03455	1.2
71.01385	54.4
71.61901	1.4
72.99313	3.9
73.02949	14.8
75.00868	0.9
83.01406	1.5
85.02946	6.4
85.39576	0.7
85.92620	0.8
87.00893	2.3
89.02447	100.0
90.02765	1.5
97.02953	1.7
99.00890	29.7
99.71013	0.8
100.01229	0.9
101.02444	40.9
108.02157	1.2
109.02969	1.4
111.00858	0.9
112.98843	1.3
113.02444	9.6
115.04042	1.0
119.03503	2.6
125.02432	4.2
128.03525	1.1
131.03516	16.6
133.02930	1.3
134.03732	5.5
135.04504	3.7
141.99841	0.8
143.03502	5.1
145.02911	1.2
149.00966	1.7
149.04558	71.3
150.04938	1.2
152.01180	3.5
160.01689	2.9
161.02432	1.1
161.04579	5.1
162.27353	0.9
163.03885	0.9
163.65579	0.8
164.04741	1.0
175.03973	3.2
178.02721	2.6
179.03519	1.7
191.05618	18.5
191.07306	1.2
192.99715	1.1
193.05057	8.3
221.04741	0.9
221.06566	4.9
223.06139	1.2
235.06076	1.0
237.06111	1.2
251.07706	3.3
293.08804	2.2
311.09848	2.6
385.09482	1.7
409.21466	0.8
430.26361	0.8
517.15381	8.0
517.21893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
60.30845	0.8
62.54657	0.7
69.91957	2.1
69.92371	2.0
71.01369	1.4
72.00912	20.0
80.01564	0.8
85.02962	1.0
89.03571	100.0
101.02445	1.7
111.92539	0.8
113.02403	1.1
115.01489	6.7
116.84250	0.8
131.08269	0.9
132.04155	76.1
135.04623	0.9
138.76616	0.9
149.06071	1.5
158.01961	1.1
161.02432	1.8
175.04721	38.1
223.06094	1.3
235.01721	0.9
236.21541	0.9
517.15845	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
61.98832	23.3
62.01064	0.5
69.55955	2.0
69.56365	0.9
71.01386	0.9
99.33858	0.4
101.02451	0.6
107.05006	0.7
108.02206	0.7
109.02924	1.4
121.02968	2.8
123.00862	1.0
124.01671	2.5
125.02458	1.0
130.73958	0.5
133.02998	0.5
134.03738	3.8
135.04561	2.4
136.01657	1.2
137.02420	0.8
138.03236	0.6
139.04002	2.2
147.04521	1.9
147.08159	0.9
148.05313	3.4
149.02444	2.0
150.03229	20.8
151.04054	2.1
159.04436	0.7
160.05232	0.7
161.02617	0.5
161.06096	0.7
162.03207	0.6
163.04004	2.6
164.04782	0.7
165.05569	10.6
173.06087	0.8
175.04033	0.5
175.07613	1.6
177.05661	0.9
177.07652	0.6
177.09207	13.1
178.09488	0.6
179.03418	0.5
187.07687	1.6
188.08409	1.6
189.09213	10.2
190.09662	0.8
201.09135	0.9
203.10770	40.8
204.11179	2.4
215.10773	1.3
217.12396	0.9
241.05057	0.4
271.06039	2.7
285.07568	0.7
286.08493	2.4
296.06281	0.5
297.07791	1.6
323.12943	0.8
325.10806	1.2
340.13272	3.5
355.15512	100.0
356.15900	9.2
517.20667	12.9
518.21014	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	517.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25265	0.8
65.09527	0.7
69.74866	2.7
69.75294	2.5
72.00910	18.6
89.03566	100.0
98.19905	0.8
115.01498	5.9
117.61761	0.8
131.08215	1.1
132.04150	78.2
135.56523	0.8
146.55487	1.0
158.02104	1.2
175.04723	42.2
175.05994	1.6
251.13229	0.9
261.95847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31679	0.8
59.01379	10.7
61.98814	1.9
69.32032	3.6
69.32461	4.0
71.01385	4.6
72.99317	0.8
73.02940	1.7
82.28912	0.7
85.02974	1.7
87.00873	10.3
89.02428	2.8
92.89344	0.9
96.96018	1.3
96.96986	0.8
98.19900	1.4
99.00852	0.8
101.02435	3.5
103.00374	1.9
109.02946	1.9
110.98466	0.8
112.98843	1.5
113.02430	1.4
116.92873	0.8
119.03500	1.6
119.05020	2.9
121.02908	2.2
124.29874	0.8
125.02461	1.5
132.02144	1.3
133.02966	4.4
134.03740	18.5
135.04558	6.9
136.04840	1.2
137.02423	3.0
149.01021	1.3
149.02435	19.2
149.06068	12.5
150.06410	0.9
151.04025	1.2
152.01147	7.2
153.05515	0.9
160.01666	4.6
160.04019	1.6
161.02451	14.2
163.03995	6.0
164.04800	20.4
164.06931	1.2
169.05055	2.4
175.03960	6.0
176.04486	0.9
177.05547	2.0
178.02684	7.1
179.03375	1.2
179.05649	1.3
179.07115	9.9
191.03584	0.9
193.01430	11.5
193.05058	33.8
208.03758	34.9
209.04079	1.2
221.04724	1.0
223.06116	100.0
224.06425	6.2
233.04475	1.0
235.06122	2.6
265.07269	1.4
288.12109	0.9
295.08325	1.4
312.08038	1.0
313.08926	1.9
337.05621	1.2
355.10266	2.8
385.11420	30.7
386.11578	3.0
517.15784	16.0
518.15637	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1562
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
59.01094	1.0
59.01380	15.3
66.18990	0.9
71.01387	11.3
72.95951	0.9
73.02945	1.4
83.01412	1.2
85.02934	3.2
87.00873	7.8
89.02438	9.6
89.03967	1.1
95.01379	1.8
99.00868	0.8
101.02440	5.9
102.31999	0.6
108.02183	1.4
113.02471	6.4
117.03477	3.6
119.03564	1.7
125.02421	1.2
130.45331	0.7
132.02180	15.6
133.02911	2.3
134.03741	62.2
135.04211	1.5
137.02461	1.3
147.04503	1.2
148.05260	0.9
149.00819	0.8
149.04935	1.1
149.06062	8.7
152.01143	3.1
160.01656	75.0
161.02049	3.2
161.04539	1.6
162.15941	0.7
175.03999	100.0
176.04572	8.3
177.01950	0.8
178.02615	4.2
179.03516	2.2
179.05540	0.9
191.07115	8.8
193.05049	88.5
194.05397	3.9
207.06618	2.9
217.05040	1.7
235.06097	29.1
265.07114	8.6
295.08212	10.8
323.09857	1.6
337.09430	5.2
341.10858	1.3
355.10083	4.0
517.15576	61.3
518.15802	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	517.0986
Annotation	Apigenin 5-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.04280	1.2
58.00595	1.3
59.01377	39.0
61.98816	1.5
68.99826	4.0
69.56318	2.5
69.56723	5.5
69.76211	1.2
71.01385	3.2
72.99326	5.8
73.02946	1.5
87.00875	20.0
89.02441	2.6
101.02402	2.8
103.00359	6.5
107.05004	1.6
109.02937	8.3
111.00889	1.8
112.98804	18.1
117.03486	1.7
121.02982	2.9
127.00378	8.9
128.03529	1.6
130.99869	4.0
133.02957	15.2
134.03737	6.6
135.04523	100.0
136.04880	2.8
137.02452	9.1
139.00348	7.4
145.02937	2.3
147.04546	3.1
149.00955	4.2
149.02437	15.4
149.06027	1.7
151.03979	1.8
152.01093	2.2
154.99863	2.0
159.04512	1.9
161.02444	33.7
161.04503	1.8
162.02779	2.3
163.04005	15.9
164.04802	12.2
173.02435	2.4
175.00420	2.4
177.01956	3.5
177.05568	4.6
179.03493	67.7
179.07018	6.2
180.03888	2.6
181.05110	1.6
187.04070	1.6
190.02682	6.7
191.03488	16.0
192.04262	2.2
193.01418	2.6
199.98001	1.0
201.02017	1.4
205.01541	2.7
205.05045	8.4
207.06668	2.6
208.03801	8.2
219.02983	49.2
220.03555	5.1
221.04379	1.6
223.06102	49.9
224.06445	1.5
231.03001	9.1
232.03847	1.3
235.06233	2.6
245.00966	1.2
260.03320	2.6
263.05585	17.2
275.01981	5.2
293.03043	45.3
294.03348	2.9
306.07678	3.1
319.04486	2.7
337.05618	20.1
338.06000	1.8
355.06668	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	517.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	16.6
58.00594	1.7
59.01381	69.4
61.98829	6.4
65.25960	0.8
68.99815	1.6
70.14948	0.8
70.15266	3.1
71.01388	7.5
72.99294	2.9
73.02953	5.0
79.80383	0.9
83.01392	1.9
85.02959	2.5
87.00880	17.6
89.02441	4.0
95.01395	1.0
99.04524	13.9
101.02434	8.1
103.00380	11.7
107.05022	1.3
109.02951	4.5
111.00845	1.4
111.04518	1.0
112.98799	5.6
113.02437	3.2
119.03481	1.8
119.04989	1.1
121.02962	2.3
123.04517	2.0
125.02431	3.6
127.00356	4.9
130.99863	7.7
132.02150	0.9
133.02998	7.2
134.03720	3.2
135.04530	51.2
136.04832	1.6
137.02438	4.9
139.00365	3.7
141.09203	3.5
143.03432	0.9
145.02943	1.1
147.04489	1.3
149.00912	16.8
149.02428	18.6
149.04474	1.2
149.05988	1.2
151.03990	1.3
152.01173	2.9
161.02437	16.2
161.04555	2.2
163.04022	8.9
164.04790	14.9
169.05113	1.3
173.02478	1.2
175.04077	1.0
177.01964	1.8
177.05608	1.8
179.03497	24.5
179.07092	5.8
187.03922	0.9
189.09076	1.0
190.02756	1.6
191.03476	6.8
193.01392	6.5
193.05077	0.9
205.04997	1.9
208.03760	21.2
219.02991	21.7
220.03592	2.3
221.04379	1.1
223.06114	100.0
224.06387	5.3
231.02946	3.5
252.41685	1.0
263.05548	3.6
275.01953	3.6
293.03046	22.8
294.03235	1.6
311.04047	2.9
311.12863	1.7
337.05643	7.8
347.45560	0.8
355.06647	13.0
375.89294	0.8
387.27350	0.9
415.23413	1.1
517.30243	1.2
523.37030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.2
55.83419	0.1
57.03461	0.1
58.00621	0.2
59.01380	5.6
69.03471	0.1
69.42001	0.4
69.42408	0.2
71.01386	4.6
72.01746	0.1
72.99333	0.3
73.02945	0.9
75.00905	0.1
75.75524	0.1
76.02163	0.1
78.95943	0.2
83.01388	0.4
85.02954	0.9
87.00886	0.6
89.02447	3.4
91.04032	0.2
95.01388	0.4
97.02953	0.1
99.00911	0.3
101.02447	4.7
113.02462	1.9
113.03231	0.1
115.03992	0.1
119.03502	1.1
119.04282	0.1
125.02534	0.2
131.03516	0.1
133.05115	0.2
143.03491	0.5
149.04605	0.1
151.84109	0.1
152.99608	0.4
157.05034	0.1
161.04567	1.5
175.84824	0.1
179.05615	0.5
222.35217	0.1
235.08269	0.9
253.09288	14.2
254.09607	0.6
261.22263	0.3
279.23279	100.0
280.23627	8.4
342.77997	0.1
404.09091	0.1
523.75897	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25662	0.3
70.29243	1.3
98.20642	0.4
106.04227	1.1
107.05022	1.1
108.02195	0.5
114.52486	0.4
119.58138	0.3
121.02956	0.5
129.19656	0.3
163.11287	35.9
164.11612	1.6
175.11230	2.1
176.12050	1.3
177.09251	0.6
177.12871	4.2
190.10017	1.0
207.10283	0.8
208.11089	3.5
267.13876	0.6
270.66147	0.3
281.15457	1.6
282.16220	4.2
283.17026	6.9
293.15521	1.8
294.16177	0.6
295.16980	0.7
339.23260	100.0
340.23593	9.6
349.21573	0.5
351.23267	7.3
352.23492	0.6
515.35284	81.3
516.35583	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	515.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31972	0.7
55.51918	0.7
59.01381	100.0
60.94016	0.6
61.98820	2.6
63.31676	0.6
64.70610	0.6
68.42306	0.6
71.61443	1.0
74.76783	0.6
78.95934	1.0
87.00895	2.7
91.55864	0.7
103.00430	1.2
121.36164	0.8
152.99625	2.9
173.06125	0.8
231.30087	0.7
277.21881	2.5
278.22177	2.3
279.22543	2.0
295.52795	0.7
325.14648	2.9
482.12421	0.8
515.29315	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	516.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93982	0.4
59.01371	0.7
61.98835	100.0
62.34784	0.4
66.97183	0.4
69.31241	3.9
76.77347	0.4
98.20572	0.9
106.43488	0.4
124.01679	0.6
134.03793	1.3
135.04568	1.1
140.67424	0.5
147.04532	0.6
148.05305	0.5
150.03246	4.1
151.04050	0.5
161.06039	0.5
163.03989	0.6
165.05518	2.3
175.07724	0.7
177.09204	3.0
187.07674	0.7
189.07735	0.6
189.09210	3.1
203.10768	11.9
271.06314	0.7
340.13382	0.8
355.15536	24.8
427.40698	0.5
517.20447	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	516.333
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
101.26814	4.6
134.80539	4.2
141.32231	3.9
175.28847	3.9
229.29161	5.6
465.14883	4.2
516.24725	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	517.0989
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.93327	0.8
57.03452	1.4
58.07552	0.8
58.89279	0.8
59.01379	44.7
61.98824	2.3
69.03448	1.1
69.30952	7.9
69.31353	1.6
71.01387	10.6
72.99292	2.5
73.02950	3.2
75.00867	3.2
85.02946	2.8
87.00869	4.1
88.98808	0.9
89.02444	4.5
89.40146	0.9
91.01896	3.4
95.01367	0.9
98.19920	1.7
98.57492	0.8
99.00893	1.5
101.02438	4.3
103.00383	1.8
108.02168	3.4
109.02946	2.5
112.98788	4.8
113.02442	3.6
115.00363	2.1
117.03432	0.8
117.05563	2.0
119.03481	1.2
123.04498	1.2
125.02437	1.6
131.03511	1.7
132.02193	1.9
133.02965	18.0
134.03737	2.4
135.00879	7.6
135.04527	12.5
136.01627	1.0
137.02455	1.7
143.03441	0.9
145.02936	1.3
147.04480	1.1
149.00902	3.3
149.02380	2.2
149.04550	1.7
149.06059	1.6
152.01198	6.1
153.01929	2.4
159.04591	1.0
160.01648	2.0
160.03992	1.2
161.02391	3.3
161.04565	2.8
163.03975	2.0
164.04828	2.6
175.04021	1.8
179.03494	8.4
179.05032	1.0
179.05588	0.9
179.07039	1.0
180.03944	1.1
181.08704	16.9
193.05019	1.0
197.04543	1.9
205.05040	1.0
213.05511	1.1
218.51726	0.9
219.02968	2.5
223.06029	4.5
223.13358	1.0
225.05730	2.2
235.06110	1.1
240.04256	2.3
242.05820	2.5
257.08185	2.4
263.05563	1.0
268.03772	16.8
269.04535	100.0
270.04910	6.3
293.03210	1.7
300.33105	1.0
337.05548	1.1
341.10449	1.4
359.10083	1.1
385.09250	3.1
385.22260	3.7
399.09296	2.7
473.10889	41.7
474.11084	3.7
475.18332	2.6
517.15588	9.5
517.22699	4.0
518.15656	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17557	0.1
55.01886	0.2
57.03466	0.1
57.39198	0.1
58.00611	0.2
59.01378	4.9
61.21243	0.1
70.18925	0.2
71.01381	4.2
72.99332	0.3
73.02953	0.8
75.00893	0.1
78.95905	0.2
79.70888	0.1
81.03504	0.1
83.01384	0.5
85.02946	1.0
87.00864	0.7
89.02441	3.5
91.04016	0.2
94.20544	0.1
95.01398	0.4
96.96017	0.1
97.02973	0.1
99.00904	0.2
99.04510	0.1
101.02444	4.2
103.04050	0.2
113.02448	1.9
115.04030	0.1
119.03506	0.9
125.02493	0.1
129.01910	0.1
131.03477	0.2
133.05090	0.2
143.03485	0.3
143.81311	0.1
145.05124	0.1
149.04514	0.1
152.99632	0.2
157.05098	0.1
161.04567	1.4
179.05606	0.6
217.07204	0.1
225.11324	0.1
235.08240	1.0
253.09276	14.0
254.09641	0.6
261.22253	0.3
264.87021	0.1
279.23270	100.0
280.23611	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	515.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.6
61.98824	0.9
66.15665	0.3
68.99816	1.7
71.01379	2.0
72.01697	0.3
73.02943	0.5
74.83405	0.3
78.95894	0.3
85.02927	0.7
87.00870	0.9
87.23604	0.3
89.02448	1.4
99.00896	2.7
101.02432	0.9
109.02951	1.1
112.98788	1.1
113.02425	0.9
119.05032	0.8
123.00906	0.6
124.01673	3.0
130.04227	1.1
133.02950	4.4
135.04517	0.9
136.01666	0.6
137.02411	0.5
138.03262	1.8
139.04034	4.5
146.03712	1.8
149.02446	2.8
149.04608	0.3
149.06007	0.9
150.03232	23.7
151.03619	1.1
159.04520	28.3
160.04849	0.9
161.02513	0.4
163.04044	0.8
165.05573	20.6
177.05522	0.6
178.02693	2.3
179.03467	0.6
261.05576	0.4
267.06738	0.4
279.06665	2.8
279.19656	0.9
281.04614	4.8
282.05075	0.4
294.05359	0.8
295.06158	2.3
296.06906	13.1
297.07220	1.2
311.09244	100.0
312.09558	7.3
338.11545	0.7
353.13962	1.7
383.24380	1.8
396.50974	0.3
415.23053	0.5
455.13449	0.6
473.14398	0.6
515.15381	7.2
515.28564	1.2
516.15997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.5
59.01384	14.2
61.98566	0.3
61.98836	3.5
66.51266	0.4
71.01380	3.3
71.05028	0.4
72.99311	1.4
73.02967	2.1
75.00864	0.4
76.42814	0.3
83.01385	0.8
83.05039	0.5
85.02950	1.1
87.00885	9.6
89.02467	1.1
95.01411	0.5
97.02971	0.5
97.06609	0.4
99.00883	0.7
101.02453	1.4
103.00383	2.9
109.02964	0.4
109.06602	0.7
111.08237	0.4
112.98841	3.0
113.02454	1.3
114.26701	0.4
119.05028	1.0
122.78481	0.3
123.08163	0.8
125.02367	0.3
125.09715	1.2
127.11228	0.4
130.99887	1.3
134.03754	1.3
135.04553	2.1
137.02434	0.4
137.09755	0.8
139.11290	0.6
143.03476	0.4
145.02966	0.7
149.00932	0.7
149.06149	0.4
161.02489	0.6
163.04021	1.0
163.11227	0.5
165.12839	1.5
167.14439	0.5
171.10228	3.6
175.03967	0.5
178.02635	0.4
179.03485	1.1
181.12346	0.4
183.13895	0.7
185.11833	0.8
193.04990	0.4
194.32811	0.3
195.13928	0.8
207.10321	0.5
209.19194	0.4
211.13470	0.4
219.02998	0.5
227.12833	0.7
227.83835	0.3
237.32367	0.4
239.12892	1.4
243.48830	0.3
251.16655	0.5
256.73138	0.4
265.05106	0.8
293.21246	0.6
303.23392	0.8
308.10480	1.1
311.22424	0.5
321.24252	2.1
323.13205	0.4
337.23831	0.7
338.11636	1.3
339.25391	4.0
347.22336	0.7
353.13959	4.7
365.13956	0.4
365.23434	2.6
366.23532	0.4
383.24402	100.0
384.24744	8.8
455.26474	0.6
462.58179	0.4
473.27686	0.8
515.25238	2.1
515.31830	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	515.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11259	1.0
59.01379	51.7
71.01374	3.1
78.59659	0.9
84.65907	1.1
85.02956	2.2
95.01392	1.1
101.02434	2.1
109.06542	1.1
113.02472	2.9
121.10229	8.2
125.69992	0.9
127.72797	1.0
152.75343	1.2
152.99712	1.0
161.04565	1.0
163.03934	1.1
166.06703	1.1
171.10260	15.9
195.13901	2.2
218.86118	1.1
223.13387	1.2
275.20142	32.6
276.20486	3.3
293.21228	100.0
294.21561	7.4
315.45300	1.2
389.89944	1.1
515.30048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01380	9.2
59.86770	0.4
61.98818	0.8
70.77051	0.9
70.77406	0.6
71.01373	2.4
72.99318	0.5
73.02948	1.2
83.05024	0.4
85.02930	0.7
87.00879	1.2
89.02489	0.5
95.01382	0.8
96.95983	0.4
101.02425	1.3
103.05563	0.6
109.02968	1.4
109.06568	0.7
112.98808	1.2
113.02451	0.9
119.05005	1.1
121.02910	0.6
123.04468	0.7
124.01638	2.7
130.04208	1.6
133.02962	4.3
135.04509	1.0
136.01669	0.7
137.02493	0.6
138.03265	2.0
139.04001	4.9
145.02971	1.0
146.03786	1.9
147.04611	0.4
149.00938	0.5
149.02428	3.2
149.06067	1.0
150.03226	24.4
151.03667	1.0
159.04514	29.7
160.04849	1.2
162.03220	0.6
163.04010	1.2
165.05563	21.4
166.05890	0.5
177.05576	0.8
178.02667	2.2
179.03508	0.8
183.13914	0.4
207.10176	0.9
279.06659	2.9
281.04550	5.1
291.23206	0.4
294.05127	0.5
295.06073	1.3
296.06891	13.1
297.07343	1.0
309.24356	3.2
311.09244	100.0
312.09564	7.6
353.23236	2.8
367.43091	0.5
383.24384	1.1
515.15588	5.8
515.27747	3.1
516.15948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67392	0.5
59.01380	7.4
61.98824	1.0
69.03478	0.6
69.30834	0.8
69.31234	5.7
71.01389	3.7
72.99338	0.9
73.02961	1.1
76.08505	0.7
83.01395	0.7
85.02946	1.4
87.00889	0.9
89.02451	1.7
98.20650	1.4
99.00867	0.6
101.02469	2.2
107.04996	0.8
108.02206	1.1
109.02955	15.2
111.00866	4.6
113.02448	0.8
114.29642	0.7
119.05022	1.3
121.02962	2.6
121.06622	1.7
123.04536	1.1
128.07187	0.8
131.05011	2.0
133.02989	1.2
133.06679	0.9
134.03743	1.4
135.04524	31.5
136.04869	1.1
137.06082	1.6
139.04037	1.7
147.04535	4.2
147.06706	0.6
148.05280	1.8
149.01004	0.7
149.02431	1.9
149.04877	0.9
149.06076	19.3
151.04002	1.1
159.04503	4.3
161.02403	1.5
162.03246	12.6
163.04008	6.4
164.04736	2.1
165.05579	5.1
174.03230	0.8
175.03973	3.8
176.04764	1.2
177.05573	100.0
178.05925	3.5
179.03487	3.3
179.07193	0.9
181.05011	1.3
188.04730	0.8
189.05598	2.1
190.02707	1.6
191.03522	2.6
193.05101	1.2
194.15628	0.5
195.06622	0.9
195.08620	0.6
201.05653	1.8
203.03506	1.5
207.06581	3.2
219.03036	1.8
219.06584	3.1
221.04553	57.7
222.04874	3.1
231.06659	2.3
233.04523	0.8
239.05681	4.2
249.07698	4.2
250.79398	0.8
267.08722	7.4
285.78391	0.6
293.06641	2.1
311.07730	92.8
312.08023	6.3
353.08945	3.1
356.49194	0.7
365.08841	2.3
365.21939	0.6
365.40640	0.7
383.09818	1.8
395.15698	1.8
423.15219	1.1
425.10843	9.4
426.10846	1.1
455.11920	1.0
515.14075	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07359	0.9
57.03437	1.1
59.01378	9.0
61.98830	4.6
69.03462	0.8
71.01394	3.9
71.61361	0.9
72.99300	2.6
73.02946	1.7
83.01398	3.1
85.02946	2.6
87.00874	2.7
88.04089	0.7
89.02423	1.9
92.67175	0.7
93.03471	1.0
94.17119	0.6
96.95992	0.8
97.02950	0.8
99.00870	1.7
101.02438	1.8
108.02150	5.5
109.02956	38.5
110.03282	1.0
111.00881	19.6
111.04535	0.9
112.98810	0.6
113.02429	1.8
115.03999	1.4
116.92860	1.4
119.05038	1.2
119.45695	0.7
121.02939	2.4
122.03751	0.9
123.04510	3.4
125.02417	1.5
128.07184	2.3
128.90164	1.2
129.01872	1.5
129.05603	1.1
133.02988	1.4
134.03734	1.9
135.04526	40.0
136.04880	1.7
137.02425	1.6
137.06136	0.9
138.05582	1.0
139.04027	2.3
145.02948	2.2
146.03741	5.8
147.04518	3.1
147.97269	0.7
149.01047	1.0
149.02449	3.6
149.06064	7.9
151.04007	1.6
152.01160	9.3
153.01944	1.8
153.79274	0.7
159.04517	4.2
159.05620	0.7
160.01695	1.4
161.02460	3.7
161.06099	3.3
162.03229	5.3
163.03995	6.2
164.04774	5.3
165.05559	2.9
167.03702	1.0
174.03047	1.1
175.03996	6.5
176.04721	2.0
177.01924	1.2
177.05569	35.5
178.05978	1.1
179.03578	5.7
179.07140	15.1
188.07176	1.4
189.05557	2.6
190.02641	1.1
191.03537	4.3
193.04977	2.4
194.23907	0.7
197.04561	2.5
201.05583	1.2
203.03514	3.8
204.04436	0.8
205.05089	1.9
219.03122	6.3
219.06596	14.2
221.04544	81.7
222.04852	5.2
231.06644	3.9
231.38808	0.7
245.04456	0.9
249.07727	1.7
263.05557	4.9
263.22534	0.7
267.08746	1.8
275.05667	1.3
275.13986	1.6
293.06668	5.6
311.07718	100.0
312.08026	6.7
328.99362	0.7
353.08661	2.0
359.09787	1.8
365.08627	0.9
386.98511	0.8
399.09271	2.9
401.14682	1.1
417.10315	1.8
423.13260	2.2
425.10922	4.0
467.11639	0.9
473.16925	1.7
515.13025	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	515.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.9
61.98823	3.0
66.92505	0.7
67.01865	0.7
69.03460	2.0
71.01395	4.0
71.34691	0.6
71.61140	0.8
72.99319	1.4
73.02950	1.8
74.02501	0.7
75.00881	2.3
78.95897	0.7
81.03453	0.7
83.01401	1.7
85.02962	1.8
87.00889	1.6
89.02431	1.1
93.03438	1.2
95.01387	0.6
96.95995	0.9
97.02953	2.6
99.00882	1.6
101.02446	1.6
105.07118	0.8
107.05040	1.6
108.02170	1.6
109.02953	20.0
111.00872	3.0
111.04527	0.8
113.02446	1.7
116.92877	1.4
119.04996	1.2
121.02951	1.6
121.06595	1.3
122.97224	0.6
123.04519	1.7
125.02430	0.7
131.05011	1.9
133.02959	2.0
134.03734	3.4
135.04524	54.9
136.04855	2.1
137.02490	0.9
137.06096	1.5
139.03984	1.4
143.05028	2.0
145.02950	0.8
145.06528	0.8
146.03731	1.6
147.04527	4.0
148.05338	4.3
149.00922	1.3
149.02441	1.0
149.06085	36.7
150.03226	0.8
150.06429	1.5
151.03992	0.7
151.07712	1.3
153.01936	0.9
157.01396	0.7
158.08093	0.6
159.04483	3.9
160.05316	1.3
161.02487	3.9
161.04735	1.2
161.06049	7.4
162.03230	7.0
162.06839	0.7
163.04039	3.1
163.07623	1.3
164.04779	2.7
165.05585	2.8
171.04504	3.4
172.05292	0.8
173.06068	3.4
174.03223	2.5
175.02612	0.9
175.04010	2.9
175.07703	1.0
176.04729	1.9
177.05571	100.0
178.05824	3.7
179.03459	4.8
179.04866	0.6
179.05528	0.5
179.07083	1.5
185.05978	0.8
187.03926	1.8
188.04765	3.4
189.05569	27.3
190.02754	1.3
190.06268	0.9
191.03516	1.9
191.07167	3.1
193.05109	1.4
195.06487	0.8
201.05603	3.5
202.06322	1.3
203.03496	1.2
203.07143	2.3
204.04243	1.0
205.05045	1.7
205.08784	0.8
207.06609	11.8
216.04308	1.0
217.08644	1.9
219.03119	1.0
219.06610	7.2
221.04541	40.0
221.08124	2.3
222.04796	1.4
231.06610	10.2
233.04587	1.1
235.06133	7.4
239.05638	3.2
249.07698	8.7
251.05646	2.3
263.05667	1.3
267.08691	2.8
291.08530	1.6
293.06854	3.7
293.09872	1.1
302.35663	0.6
311.07724	57.7
312.08066	4.5
313.09363	0.7
333.09488	0.8
339.10699	1.9
351.10855	1.9
353.08743	5.8
353.12576	1.8
365.08649	3.4
383.09799	2.4
393.11923	1.6
411.13016	1.9
425.10938	9.0
443.11932	3.0
453.14447	0.9
455.11966	4.5
455.21243	1.4
457.13483	1.6
485.13101	1.8
515.14117	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	515.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.0
61.98816	0.9
67.01888	0.5
69.03447	0.5
70.74373	1.1
71.01380	1.5
71.65705	0.4
73.02953	0.9
75.00868	5.3
81.03452	0.4
85.02960	1.5
87.00891	0.7
89.02468	0.6
95.01404	0.8
97.02951	1.9
99.04514	2.0
101.02455	0.5
107.05027	1.0
108.02197	0.9
109.02951	24.3
110.03287	0.4
111.00859	1.2
113.02473	0.7
121.02943	1.4
123.08193	0.5
133.02965	1.5
134.03752	2.3
135.04523	100.0
136.04886	3.1
137.02449	1.0
139.03989	1.2
143.05045	1.3
145.02834	0.5
146.03673	1.1
147.04521	1.4
148.05322	2.3
149.06078	39.6
150.06429	1.6
151.04015	0.8
151.07635	2.6
159.04475	2.2
161.02458	3.3
161.06070	7.6
162.03271	0.6
163.04044	1.3
163.07664	1.5
165.05602	1.5
171.04509	1.7
172.05099	0.7
173.06082	7.6
174.03253	2.5
175.04016	5.2
175.07666	0.8
177.05574	6.5
178.02730	0.4
179.03485	4.8
179.07065	0.7
185.06075	0.6
187.04178	0.8
187.07704	0.6
188.04753	1.3
189.03946	0.9
189.05577	14.7
190.06018	0.8
191.03505	0.7
191.07129	7.3
192.07542	0.8
193.05043	2.1
195.06615	3.1
201.05605	1.3
203.03529	0.6
203.07130	3.5
205.05067	1.1
205.08704	0.9
207.04659	0.6
207.06615	11.9
208.06900	0.4
213.05443	0.8
219.06593	5.5
221.04544	21.5
221.07974	0.9
222.04977	1.5
223.06189	0.5
231.06619	16.7
232.07013	0.8
235.06102	18.1
236.06483	1.8
239.05608	12.9
239.08084	0.6
240.05940	0.5
249.07663	9.7
250.08098	0.7
253.07190	2.9
263.05704	0.9
265.07028	0.5
281.06717	1.7
293.06735	0.9
311.07724	4.9
313.09494	0.9
339.10913	3.8
353.12439	3.0
379.10367	0.8
383.10019	1.1
386.98026	0.5
391.48196	0.4
411.13062	1.9
425.10840	3.9
427.12717	0.6
435.12946	0.6
439.12482	2.4
443.12006	8.6
444.12592	0.9
453.13855	2.9
455.11942	4.7
457.13391	4.4
485.13083	5.4
486.13443	0.4
497.13232	2.2
515.13977	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	514.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41275	0.1
59.01377	0.7
61.98832	100.0
62.98539	0.1
69.43135	0.3
69.43546	0.5
84.84391	0.1
85.55727	0.1
88.39309	0.1
98.20571	0.2
152.43478	0.1
179.07166	0.2
200.23747	0.1
214.10971	0.1
219.84920	0.1
273.91632	0.2
335.19324	0.1
454.33731	0.1
514.32458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88559	1.1
53.44577	1.3
55.01886	1.6
57.03446	4.0
57.06441	1.3
58.00600	1.6
58.02972	1.7
59.01384	73.7
61.98830	5.5
65.00326	1.9
68.99826	3.4
69.03454	3.1
69.81037	3.5
69.81433	3.0
71.01391	20.5
71.05026	1.7
72.99313	13.4
73.02956	8.5
74.02473	2.2
75.00918	1.3
75.73547	1.3
77.49597	1.4
79.95732	2.1
80.96532	9.2
83.01385	3.0
83.05033	1.7
84.99310	8.7
85.02934	7.9
87.00880	14.5
89.02458	7.6
89.03953	2.1
94.98118	1.9
95.01366	2.5
96.96014	7.9
99.00884	3.8
99.04513	3.0
101.02450	13.2
103.00358	2.3
107.42268	1.3
108.94186	1.2
109.02951	2.4
111.00869	1.7
112.98814	100.0
113.02462	8.3
117.03453	6.5
119.03488	3.1
119.05017	12.6
121.02972	2.1
123.04514	1.9
125.02418	3.0
127.00371	5.8
128.03546	5.3
130.99863	1.8
132.02136	2.6
133.02933	4.1
134.03743	68.8
135.04567	10.2
137.02457	3.4
141.09291	1.6
143.03629	1.8
143.04623	6.2
145.02953	8.9
147.04491	6.5
149.00905	4.2
149.06078	19.4
150.03223	2.0
151.04041	2.0
154.99760	1.5
158.03789	1.5
159.04514	2.1
160.01659	11.1
160.04042	1.9
161.02487	8.0
161.04597	2.0
161.06050	1.3
162.03217	13.5
163.04015	9.9
164.04637	1.8
164.98627	1.9
165.05582	1.7
175.04019	18.5
176.04732	2.3
177.01904	1.7
177.05579	4.4
178.02754	10.0
179.03418	3.9
189.05624	1.6
190.02734	8.0
191.03354	1.3
191.07115	3.0
193.05063	53.8
194.05310	2.6
201.05461	2.1
202.02672	4.6
203.03436	7.2
204.04129	1.5
205.04985	9.5
205.08701	1.9
206.05713	1.9
207.06622	12.5
208.06888	1.5
209.02792	2.5
210.08815	2.9
218.02162	2.6
219.06458	2.4
221.08409	1.7
225.00760	1.8
230.02191	5.5
233.04564	37.3
234.04875	2.8
235.06056	2.3
245.04573	4.7
249.07626	3.5
254.07706	2.2
263.05557	1.4
272.09143	1.8
277.03476	6.7
289.03564	5.0
289.07013	1.5
295.02740	2.2
295.06052	2.0
307.04614	48.4
308.04984	3.3
311.09024	1.7
321.24197	1.6
353.13885	4.8
353.23334	6.4
383.24408	10.5
471.33478	2.3
514.33173	1.4
514.70203	1.9
515.20624	3.0
515.28381	43.3
516.29077	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	515.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
58.00581	1.2
59.01381	47.0
61.01837	1.2
61.98834	15.0
65.00324	1.9
68.67878	1.0
68.99811	3.7
69.33986	5.7
69.34403	3.5
69.79186	1.1
71.01378	9.1
71.40831	1.0
72.99313	10.9
73.02946	4.1
76.41054	1.4
80.70215	1.0
83.01385	3.5
84.99313	8.6
85.02956	4.5
87.00867	14.3
89.02447	3.3
93.03455	2.9
95.01393	1.9
97.02919	1.0
98.20609	2.4
99.00879	3.2
99.04521	2.0
101.02428	6.1
103.00346	2.8
109.02966	3.1
111.00893	2.0
112.98814	98.7
113.02399	5.8
113.99174	1.2
117.03458	8.8
119.05025	100.0
120.05391	2.4
121.02940	6.7
122.03308	1.4
123.04550	1.4
127.00373	6.5
129.03421	3.2
130.99886	1.4
131.05084	1.1
133.02968	3.5
134.03734	4.8
135.04524	7.5
139.28795	1.1
143.05023	5.5
145.02950	41.8
147.04532	22.1
149.00922	2.0
149.06058	2.4
154.99805	1.8
159.04532	1.6
161.02422	2.1
161.06061	3.7
163.04013	68.2
164.04362	3.2
171.04539	2.3
173.06096	1.2
175.04001	17.7
176.04771	1.2
177.01929	1.3
177.05618	1.9
177.91191	1.1
179.03499	3.6
179.07132	2.1
183.04160	1.2
185.11832	1.3
187.03958	1.1
189.05556	4.3
193.04990	2.5
201.43091	1.0
203.03499	66.7
204.03877	2.8
205.05051	4.3
205.08528	1.0
215.03487	14.0
217.08788	1.3
231.02919	1.6
233.04492	3.9
235.09779	1.6
237.07646	11.4
259.02444	8.9
277.03534	62.0
278.03802	3.4
279.08691	1.2
309.24365	5.8
325.20212	1.7
338.12137	1.2
353.23309	7.1
383.24451	8.6
384.24615	1.2
515.20233	2.1
515.28589	9.9
540.46051	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.1
56.73315	0.1
57.03461	0.1
59.01382	6.9
59.11837	0.1
61.98823	0.4
66.00945	0.1
68.02537	25.4
69.02231	0.1
69.02869	0.3
71.01379	1.7
71.05007	0.2
72.99286	0.2
73.02954	1.9
83.01402	0.4
83.05048	0.1
85.02950	0.5
87.00894	0.3
89.02446	0.3
91.01913	0.2
95.01460	0.1
97.40045	0.1
99.00863	0.1
101.02434	1.1
112.98808	0.2
113.02463	0.7
126.99570	100.0
127.99918	2.4
135.04544	0.4
143.03580	0.2
151.07600	0.1
151.99086	0.4
161.04584	0.4
208.02876	0.4
263.11472	0.2
263.20120	0.1
275.11288	0.2
277.21814	0.1
309.24301	0.4
353.23322	2.0
385.10635	0.2
467.07648	0.1
471.22116	0.7
472.26282	0.2
514.26953	0.3
515.29480	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81241	0.1
55.01882	0.5
55.86024	0.1
57.03464	0.2
58.00603	0.2
59.01379	6.6
70.04494	0.1
70.22642	0.1
70.23032	0.2
71.01382	5.2
71.50389	0.1
72.99296	0.3
73.02948	1.2
75.00854	0.1
83.01389	0.7
83.05035	0.1
85.02950	1.4
85.03439	0.1
85.29214	0.1
87.00871	0.6
89.02446	4.3
91.04016	0.2
95.01405	0.4
97.02975	0.2
99.00890	0.2
99.04550	0.1
101.02444	4.9
102.02776	0.1
111.00857	0.1
113.02449	2.1
113.06076	0.1
114.02840	0.1
115.03997	0.1
119.03499	1.1
125.02457	0.2
127.07636	0.2
131.03540	0.1
133.05064	0.3
143.03482	0.5
149.04565	0.1
157.05035	0.1
161.04561	1.8
179.05583	0.7
182.13065	0.1
205.19630	0.1
217.07141	0.1
233.22842	0.4
235.08202	1.1
246.82315	0.1
253.09277	16.0
254.09674	0.6
259.20535	0.5
275.20120	0.4
277.21704	100.0
278.22058	8.1
539.15491	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03458	0.2
58.00602	0.4
59.01378	8.3
60.01737	0.1
70.38208	0.3
71.01380	5.5
72.99310	0.4
73.02944	1.2
78.35578	0.1
83.01404	0.6
83.05043	0.2
85.02946	1.3
87.00866	0.5
89.02444	4.6
91.04008	0.3
95.01389	0.5
97.02959	0.2
99.00883	0.2
99.04535	0.1
101.02441	5.5
103.03987	0.2
113.02451	2.6
119.03497	1.1
127.07659	0.2
131.03519	0.2
133.05058	0.3
143.03528	0.5
161.04572	2.0
161.21045	0.1
179.05621	0.9
185.31190	0.1
205.19693	0.1
233.22713	0.4
235.08185	1.0
253.09274	17.8
254.09637	0.7
259.20648	0.3
261.12427	0.1
275.20096	0.4
277.21701	100.0
278.22055	8.7
378.77380	0.1
445.82016	0.1
507.69360	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	513.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33459	0.7
59.01383	70.8
61.98837	0.9
69.03476	0.8
71.01390	11.8
71.62565	1.2
72.99326	1.6
73.02949	4.4
75.00874	1.6
76.09801	0.8
83.01394	1.0
84.05515	0.8
85.02959	5.6
87.00886	1.6
89.02460	6.9
95.01403	1.2
99.00874	2.3
101.02457	9.0
112.98855	1.1
113.02450	10.4
114.99277	0.7
119.03511	1.8
121.02938	1.4
131.03513	1.8
143.03468	1.6
149.04552	1.9
150.10410	0.8
161.04590	3.5
165.12840	14.6
170.75003	0.7
171.10191	0.8
171.65508	0.7
191.05626	1.0
247.20651	7.3
261.40060	0.7
273.18619	3.5
287.20255	1.0
291.19678	100.0
292.20062	6.0
305.21225	3.4
305.35458	0.8
315.19806	0.9
333.20767	5.5
345.20584	1.1
355.10986	0.7
381.22739	1.8
440.23773	1.2
462.25565	2.5
462.75668	2.0
513.26959	15.1
513.77148	3.6
514.27441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3044
Annotation	Kermadecin G
Peak:m/z	Relative Intensity
51.28860	0.9
57.03468	1.0
57.74341	1.0
59.02282	0.8
70.94846	2.1
78.95908	20.8
85.02940	2.7
96.96973	1.8
98.42391	1.0
114.00039	0.9
152.99588	32.6
171.00693	0.9
227.03268	4.8
283.26434	100.0
284.26807	7.3
314.16666	0.9
381.92914	0.9
511.30438	58.0
512.30695	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	513.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01374	6.3
61.98828	6.0
63.35323	0.7
68.99816	2.8
69.03439	1.2
69.32894	0.7
71.01383	6.5
71.05015	1.1
71.62110	1.0
72.99307	1.2
73.02932	1.4
75.00874	1.3
83.01388	2.8
85.02941	7.8
87.00867	6.2
88.04039	3.0
89.02444	0.9
93.03481	0.8
95.01390	1.5
99.00877	7.2
99.04486	0.9
101.02431	4.3
109.02933	2.0
111.00877	3.2
112.03985	0.8
112.98787	3.8
113.02426	8.3
113.99599	17.5
115.00365	9.7
117.03427	2.0
119.04966	0.9
125.02430	1.7
127.00375	4.1
129.01970	3.8
133.02954	1.8
133.61716	0.7
134.03741	20.1
135.04544	5.4
136.04926	1.0
137.02434	1.3
139.00342	1.7
141.01955	1.1
143.04555	1.0
146.08186	3.3
147.04543	0.9
148.01701	0.7
149.00905	1.7
149.02399	1.4
149.06061	2.0
151.04028	0.7
157.01387	5.2
160.01724	1.3
161.02399	2.0
163.04005	1.5
169.01439	1.7
174.01694	18.6
175.02428	2.8
175.03908	1.4
176.01144	1.2
177.01930	17.7
178.02550	1.3
179.03510	2.8
180.03818	0.9
188.87003	0.8
191.03732	0.8
192.03972	0.7
193.05049	11.0
215.62630	0.8
217.34334	0.8
218.10318	3.7
219.03020	2.5
219.10686	2.2
220.03314	1.9
256.57877	0.7
277.05630	37.8
278.05945	2.2
293.02969	2.2
294.03360	2.9
296.05872	0.8
337.07745	81.9
338.07986	5.3
350.10980	1.1
351.11069	2.3
400.78094	0.7
453.10324	3.6
513.12427	100.0
514.12805	12.8
514.19562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2547
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
57.03454	3.2
58.00593	0.7
59.01382	13.4
69.03465	0.4
69.42680	2.7
71.01385	7.1
72.99295	0.5
73.00958	0.4
83.01372	0.6
83.05025	0.9
85.02940	1.6
85.06634	0.3
87.00873	0.6
88.30318	0.3
89.02449	5.4
95.01408	0.5
98.19907	0.6
101.02449	3.6
112.98801	0.6
113.02448	2.4
119.03515	1.0
124.01675	0.4
131.14575	0.3
135.04524	0.9
161.04506	0.3
171.11246	0.3
173.13371	2.8
179.03395	0.3
182.73657	0.3
187.14854	0.4
189.16539	0.7
219.17577	0.6
233.19397	0.3
243.17574	1.3
250.37410	0.4
259.20651	14.3
260.21033	1.3
261.22226	23.8
262.22589	2.2
280.16461	0.3
287.20224	1.4
289.21747	1.3
291.23419	1.1
301.21796	0.5
303.19632	2.6
304.20026	0.3
305.21228	8.0
306.21671	0.7
331.19156	14.7
332.19531	1.8
335.22357	0.5
345.20758	0.4
349.20187	100.0
350.20544	11.2
350.23938	0.2
391.21274	11.4
392.21588	1.5
421.22385	0.5
451.23337	1.2
492.72614	0.3
511.25473	43.8
512.25751	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	511.2548
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
55.01880	2.7
57.03447	4.1
58.00567	0.9
59.01097	0.8
59.01382	15.6
61.98821	2.1
67.01870	0.6
69.03446	1.2
69.37653	4.5
71.01384	36.8
72.01697	0.6
72.99304	2.1
73.02949	12.1
75.00861	0.9
81.03453	0.6
81.75452	0.5
83.01387	5.1
83.05026	0.7
85.02426	1.1
85.02953	21.5
87.00881	3.4
89.02450	3.8
93.03455	1.0
95.01389	3.5
97.02933	1.4
97.06546	0.7
98.19856	1.2
99.00900	5.5
99.04504	0.8
101.02448	22.1
102.02760	0.6
103.00358	0.5
107.04983	0.5
109.02953	0.7
112.98814	5.3
113.01684	1.1
113.02451	15.8
114.02789	0.8
119.03469	1.1
119.04983	1.5
121.02958	2.1
122.02455	0.7
125.02466	1.0
129.01959	0.9
130.99887	0.7
133.02914	0.9
135.04533	3.9
137.02429	1.4
139.04050	3.3
143.03500	0.8
149.00838	1.1
155.10814	0.8
159.02989	2.1
161.02399	1.2
161.04529	7.5
163.03972	1.9
165.12833	0.8
167.03569	0.6
179.03481	2.3
183.13885	0.6
187.07640	1.0
213.09177	1.4
219.03032	0.8
222.75197	0.6
231.10124	0.9
259.20428	0.7
261.22226	32.5
262.22586	2.5
275.09232	2.3
293.14078	0.7
305.21225	24.4
306.21552	2.8
347.32419	0.6
349.20154	7.0
350.20657	0.9
371.17163	0.7
467.26389	28.3
468.26523	3.0
511.25430	100.0
512.25854	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	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40409	0.3
57.03446	0.7
59.01374	0.4
59.52962	0.3
61.98827	0.7
71.61374	0.6
83.05023	0.6
97.06582	0.7
101.18906	0.4
111.08140	2.2
137.09763	0.4
163.11243	0.5
165.12840	22.4
166.13184	0.6
171.90984	0.4
183.13892	100.0
184.14227	4.9
209.11800	4.8
227.12883	16.3
228.13123	0.5
283.15414	1.2
301.16559	17.2
302.16870	0.8
331.26422	0.7
372.70428	0.4
375.25500	0.5
449.29156	0.9
467.30081	1.6
493.28256	1.6
511.29086	32.6
512.29474	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	509.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	1.0
69.59333	3.2
74.86161	0.5
78.95903	22.0
96.96971	2.2
146.97014	0.5
150.98015	0.6
152.99582	33.3
158.69939	0.5
171.00674	2.6
195.17677	0.5
227.03293	4.4
245.04236	6.2
281.24854	100.0
282.25223	9.0
306.85626	0.6
417.23837	1.0
441.05249	0.6
473.36227	2.2
474.96609	0.5
509.28836	60.0
510.29160	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	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63896	1.2
59.01378	18.5
61.98830	15.2
71.01393	6.5
72.99297	1.5
73.02942	3.5
75.00897	6.1
76.01195	1.3
78.95923	1.6
82.53237	1.1
83.01401	2.4
87.00867	5.8
89.02449	3.3
93.27009	1.2
96.96021	1.5
98.20580	2.6
99.00897	2.0
101.02415	3.1
103.00393	2.4
107.01424	1.3
109.02925	1.7
112.04041	3.3
112.98800	4.5
113.02428	2.8
113.28551	1.4
119.05029	3.1
119.69895	1.2
121.02959	1.6
123.04553	1.2
123.67194	1.2
133.02988	5.5
133.74342	1.3
133.89441	1.1
134.03735	3.6
135.04524	12.2
136.04842	1.7
137.02409	1.6
145.02934	2.0
149.00917	5.5
149.02293	1.2
149.06129	1.5
151.00314	2.2
160.01663	3.5
161.02411	8.2
161.04576	1.7
163.03995	2.4
175.02596	1.9
175.04012	5.0
179.03506	7.1
187.71472	1.2
193.05136	1.9
215.09279	2.8
216.09566	2.9
235.06052	1.7
256.03738	1.8
284.03256	41.7
285.04047	94.6
286.04404	5.3
302.03284	1.3
347.09686	2.2
348.09824	1.8
397.11304	3.6
447.09317	100.0
448.09659	12.9
451.21692	3.8
509.27606	1.7
509.33130	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	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44246	1.5
65.13261	1.4
69.26595	5.7
69.27029	9.4
74.76974	1.4
78.95904	45.1
81.71816	1.4
82.57378	1.3
83.16465	1.4
96.96983	3.3
143.79744	1.7
152.99588	59.5
171.00627	18.5
212.16425	1.6
215.30505	1.6
241.10300	1.3
245.04298	100.0
246.04663	4.0
281.24841	54.2
282.25247	2.8
406.96997	1.7
473.36343	5.5
509.21765	2.2
509.28860	36.0
510.29211	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	507.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74937	0.4
58.43899	0.3
59.01378	1.9
61.98831	0.4
65.33242	0.4
69.33516	2.9
71.01399	0.7
89.02470	0.5
91.04018	0.9
93.34312	0.3
116.84278	0.4
117.03468	21.3
119.05030	31.9
120.05379	1.1
121.02972	3.5
123.04533	1.0
133.02966	0.7
145.02956	100.0
146.03284	3.7
162.03242	0.9
163.04013	21.4
164.04305	0.6
195.00406	0.4
198.08133	0.3
216.31923	0.4
269.21146	1.7
287.22272	8.6
347.25894	0.4
415.24896	14.1
416.25085	2.2
433.25967	18.9
434.26154	2.2
507.29617	68.8
508.29956	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	508.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79744	0.4
57.03462	0.4
57.41443	0.4
59.01383	6.2
60.01711	0.5
61.98829	100.0
63.99273	0.4
69.46837	3.3
71.01379	3.5
73.02951	1.0
75.00871	1.3
85.02970	0.9
85.99071	0.4
87.00884	1.3
89.02438	2.8
101.02464	1.5
113.02480	1.3
116.92876	1.0
119.03503	1.0
119.05027	0.6
120.01250	2.2
125.02469	0.7
134.03677	0.5
135.04515	3.2
146.39409	0.4
149.00896	1.4
151.00342	0.6
151.04015	1.4
152.04395	0.7
155.05417	0.4
160.04057	1.3
161.02451	1.0
161.04553	0.9
163.04080	0.4
165.05579	0.6
179.03473	4.3
284.11505	0.5
309.49033	0.4
346.11243	1.1
376.11029	0.7
508.14554	0.6
509.29959	1.1
530.06079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98829	6.6
65.00317	2.1
69.28878	8.6
69.29306	9.4
71.01382	20.0
72.99303	2.2
73.02964	9.5
75.00874	2.8
79.95105	1.6
83.01363	3.2
85.02946	6.2
87.00871	7.2
87.59541	1.6
89.02438	14.4
101.02448	12.8
107.01357	2.3
109.02917	2.4
112.98803	2.9
113.02448	8.0
117.03468	5.8
119.03490	6.5
119.05032	4.1
122.06102	2.0
123.04537	2.0
123.08173	4.4
125.02393	3.4
126.78970	1.6
133.02956	6.0
134.03748	2.7
135.04478	11.8
137.02417	2.8
139.61133	1.7
143.03452	2.5
145.02957	25.7
149.00914	5.0
149.04521	2.9
151.00360	4.4
151.03851	2.5
152.00743	2.0
153.00888	2.5
160.01613	2.0
161.02547	3.2
161.04544	6.2
163.11295	2.5
175.03966	5.4
177.02063	2.0
179.03491	6.7
179.05640	5.5
189.12828	6.0
193.04996	1.7
207.13838	7.0
253.57227	2.6
262.10818	12.0
262.13211	1.9
269.99185	1.6
285.04050	2.3
287.04626	3.3
377.18011	2.0
449.23929	9.1
473.16489	4.2
509.29306	4.1
513.09869	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	507.296
Annotation	Siserrone A
Peak:m/z	Relative Intensity
59.01379	1.9
70.88513	0.8
71.01387	0.7
75.87934	0.4
89.02469	0.5
91.04015	1.1
93.03458	0.4
93.19272	0.3
117.03468	22.1
118.03714	0.4
119.05032	31.5
120.05375	1.3
121.02938	3.4
123.04504	1.3
133.02948	1.0
134.03760	0.6
145.02957	100.0
146.03284	3.8
162.03195	0.8
163.04010	19.9
164.04356	0.9
166.70665	0.4
224.10738	0.4
269.21259	1.3
287.22293	8.3
288.22693	0.8
347.25894	0.5
415.24878	16.0
416.25259	1.6
433.25925	19.4
434.26324	2.5
507.29630	70.6
508.29959	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	507.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
58.00558	0.4
59.01385	9.0
62.75788	0.4
69.41620	2.8
71.01392	0.4
72.99287	0.5
82.75632	0.3
87.00875	7.6
87.04531	0.4
97.06571	0.4
103.00346	2.0
112.98810	0.5
123.08205	0.6
130.99872	1.3
135.39375	0.3
139.11316	0.7
144.19754	0.4
149.00909	0.4
157.12329	1.3
169.12311	0.8
179.03490	0.5
185.11803	1.6
211.84558	0.4
215.13097	0.8
224.35063	0.4
329.23373	1.5
357.26370	1.7
373.26001	1.6
374.26318	0.8
375.27493	100.0
376.23318	0.7
376.27866	10.5
507.28360	7.8
508.28745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03507	1.9
58.00636	0.4
59.01112	1.1
59.01440	15.2
61.98881	0.3
69.57146	1.5
70.95076	0.3
71.01456	1.0
71.05086	0.3
71.29654	0.2
72.99392	1.4
73.03001	0.5
85.03014	0.4
85.06675	0.4
87.00880	10.3
88.76603	0.3
89.02522	0.3
95.01482	0.3
101.02507	0.7
103.00377	3.6
109.03017	0.4
112.98904	1.3
115.92148	0.4
116.92963	0.8
119.05119	0.4
125.02559	0.4
130.99828	1.8
135.04546	2.1
137.02525	0.4
145.03047	0.3
149.01006	0.9
150.03345	0.3
161.02545	0.4
163.04097	0.4
164.87411	0.3
168.00749	0.5
171.10349	0.5
173.42848	0.3
179.03508	2.0
183.13911	1.9
201.15030	0.4
213.11322	0.5
214.84749	0.3
243.16212	0.5
293.03104	0.3
329.23303	1.8
345.11838	1.0
357.26495	1.7
373.26147	0.9
374.26419	0.5
375.27505	100.0
376.27850	10.0
376.32715	0.6
387.50897	0.3
465.26987	0.4
507.11115	1.1
507.27957	9.5
508.28430	1.7
524.88550	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.6
69.57484	2.2
78.95905	8.1
96.96936	0.9
116.80668	0.3
116.81449	0.4
136.98956	0.4
152.99593	15.5
171.00648	1.1
200.42546	0.4
227.03296	2.7
245.04335	1.9
279.23285	100.0
280.23663	9.8
410.48813	0.4
498.41934	0.5
507.27258	25.5
508.27570	3.9
530.29297	0.5
531.11230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
58.00596	0.3
59.01382	10.9
69.50045	2.2
71.01376	0.9
72.99301	0.5
73.02951	0.9
73.71186	0.3
74.06961	0.3
74.12036	0.3
76.22536	0.3
78.09925	0.3
85.02972	0.3
87.00877	9.5
87.04533	0.4
89.02425	0.3
97.52494	0.3
101.02457	0.8
103.00376	2.2
109.06508	0.3
112.98849	0.7
113.02444	0.4
115.92068	0.4
116.92855	1.2
123.08189	0.5
130.99854	0.6
135.04515	0.8
139.11307	0.4
141.12846	0.3
147.09566	0.3
149.00980	0.4
151.04005	0.6
157.12383	0.7
162.02496	0.3
169.12352	0.5
179.03535	0.4
185.11850	1.7
215.12875	0.8
251.20082	0.3
293.21399	0.4
303.08810	0.7
311.21976	0.3
327.09030	0.4
329.23410	1.4
355.25247	0.4
357.26563	2.0
373.26013	1.6
374.26016	0.6
375.27505	100.0
376.27826	10.0
507.28030	6.6
508.28357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75548	1.7
57.03442	6.8
58.25762	2.2
59.01380	100.0
61.98842	14.4
64.02110	1.8
65.00319	3.9
69.44186	13.5
69.44605	4.6
71.01389	30.3
72.99304	5.0
73.02950	26.5
75.00891	4.8
81.03458	1.9
83.01386	12.2
85.02962	8.1
86.91163	2.1
87.00877	7.7
89.02451	15.6
95.01369	2.7
97.02966	2.6
101.02443	35.4
107.01395	7.5
109.02976	2.8
110.63209	2.2
110.66814	1.8
112.98809	1.9
113.02465	16.2
116.92854	5.0
119.03506	8.3
119.05049	4.7
120.01260	4.7
123.04507	5.6
124.29384	2.0
125.02464	4.8
125.09740	3.1
132.04578	10.6
133.02980	2.9
133.05333	6.9
134.03745	4.1
135.04591	10.2
137.02525	2.8
137.09586	2.0
143.03462	4.7
149.00906	8.6
149.02087	2.2
149.09718	20.6
150.03224	6.1
151.00395	29.7
151.03978	9.4
161.02472	4.8
161.04549	11.6
163.03976	2.3
165.04291	2.7
167.10786	39.6
179.03488	5.3
179.05649	3.7
179.16165	2.4
193.05061	3.6
209.03104	2.2
217.42828	2.3
225.14934	7.2
243.12354	6.5
257.12927	7.5
283.10876	6.6
284.11197	2.2
285.03918	15.0
285.11810	3.3
301.11957	5.5
331.11688	2.3
345.10873	50.8
345.15512	25.4
346.11569	3.7
375.10913	4.2
387.20117	11.5
394.40805	2.1
405.21161	2.6
447.22174	13.6
507.16010	3.0
507.28271	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16324	0.4
59.01382	100.0
60.01698	0.9
61.98847	0.8
70.83755	0.4
71.01387	2.2
73.02969	1.1
85.02933	0.6
89.02480	0.8
98.19855	1.3
99.04553	0.5
101.02461	1.8
109.02996	1.0
113.02473	1.4
135.04549	1.5
141.09222	0.9
149.01001	0.5
161.04591	1.2
194.02536	0.5
218.47983	0.5
243.16113	1.6
285.07547	0.5
320.20520	0.5
387.20261	3.2
405.21387	1.2
447.22443	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	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36506	1.1
57.03441	2.6
57.34875	1.2
59.01382	100.0
61.98826	1.6
68.81931	1.1
69.62326	7.7
69.96482	1.1
71.01387	20.9
71.05019	1.6
72.99279	1.5
73.02949	5.9
83.01365	2.6
85.02944	4.1
87.00862	2.9
89.02457	8.1
94.50658	1.1
95.01389	2.1
96.85568	1.2
99.00874	1.7
101.02437	12.1
101.06084	4.4
113.02466	18.4
119.03474	2.8
122.92052	1.1
123.08185	2.2
125.02457	1.7
125.05946	1.5
141.09241	12.0
143.03474	4.2
149.00916	1.8
151.04012	3.0
153.09106	1.8
161.04529	4.5
161.05859	1.2
181.05093	2.0
181.12289	2.6
195.13831	2.4
225.14912	2.2
243.16016	18.7
331.04068	1.3
375.10727	1.8
387.20248	70.2
388.20383	5.8
394.22284	1.4
405.21237	25.8
406.21817	1.9
447.22287	11.8
507.15875	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	507.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18678	0.8
50.49649	0.8
53.27046	0.8
57.03435	3.0
58.00597	1.5
59.01380	35.0
60.91453	0.8
61.98827	9.5
65.59026	0.8
69.03447	1.3
71.01381	20.9
72.99300	1.7
73.02952	4.7
75.00880	1.1
81.03429	1.3
83.01402	1.9
85.02943	7.3
87.00870	5.1
89.02450	20.5
97.06551	1.2
99.00855	1.7
101.02444	15.4
103.00338	2.2
111.08155	4.7
112.98809	3.1
113.02470	8.5
115.92104	1.2
116.92832	4.1
119.03517	7.8
121.02949	1.0
131.03502	1.1
135.04494	3.1
135.06635	8.1
137.02391	1.6
143.03470	1.3
149.00908	1.6
159.04431	0.9
161.04526	3.7
161.05968	0.9
163.03909	1.1
163.11292	1.0
165.12845	29.1
166.13150	1.1
167.14403	1.1
179.03401	1.4
179.05614	6.3
181.12370	0.9
183.13899	33.9
184.14236	1.6
185.99733	0.9
191.10713	1.2
197.15475	5.9
207.13913	1.0
209.11760	4.0
225.14880	1.5
227.12903	11.4
241.14297	1.0
251.12811	1.3
297.11908	23.6
298.12122	1.6
375.23242	1.2
375.27484	21.3
376.27750	1.7
507.24283	100.0
508.24661	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56530	0.6
55.01864	0.8
57.03438	2.4
58.00589	1.5
59.01380	30.9
61.98828	4.2
65.56195	0.8
69.03442	2.2
69.38047	7.1
71.01384	18.7
72.99290	2.2
73.02943	5.6
81.03420	1.0
83.01380	1.8
85.02956	7.2
87.00871	4.7
87.04516	1.8
89.02442	11.8
91.99039	0.8
95.01377	0.8
97.02984	1.0
97.06605	1.1
98.19889	1.5
99.00888	1.8
99.04485	0.8
101.02449	10.8
103.00388	1.3
103.04050	0.9
111.08125	2.5
112.98786	1.8
113.02452	6.7
115.92085	1.0
116.92876	3.8
117.05550	1.4
119.03487	4.5
119.04967	0.9
125.02422	0.8
126.99638	1.0
130.99821	1.6
133.02914	0.9
135.04437	2.0
135.06647	9.7
137.02403	0.9
143.03461	1.6
149.00925	1.3
161.02478	1.1
161.04558	3.8
163.04010	0.7
164.35939	0.7
165.12851	19.6
166.13115	1.3
172.76741	0.8
177.84863	0.8
179.03436	0.9
179.05527	2.5
181.12387	0.8
183.13898	60.9
184.14217	2.6
186.93317	0.8
191.10764	0.9
197.15453	10.2
207.13855	0.9
209.11742	2.4
225.14862	1.7
227.12856	7.8
233.53885	0.9
297.11899	11.0
329.15945	0.9
353.61584	0.7
357.26477	1.2
373.25775	1.3
374.26242	1.3
375.27432	38.0
376.27631	2.8
507.24310	100.0
508.24741	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	507.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
56.33859	0.9
57.03455	2.3
57.90219	0.9
58.00603	1.7
59.01380	45.0
61.98827	2.6
68.99782	0.9
71.01382	12.4
71.62057	1.0
72.99310	3.7
73.02954	4.7
75.00906	1.0
78.95895	7.5
83.01395	2.2
84.99310	3.0
85.02939	6.3
87.00872	17.5
88.96489	0.9
89.02460	3.3
93.03426	1.2
99.00883	3.1
101.02446	9.7
103.00372	26.3
107.05038	2.0
109.02940	4.5
111.00917	1.5
112.98814	26.1
113.02479	5.8
117.03468	1.1
117.05620	1.4
119.05021	3.0
121.02950	2.3
127.00388	3.0
130.98941	2.0
130.99864	19.3
131.00742	0.7
133.02975	7.6
134.03763	7.9
135.04527	100.0
136.04890	2.9
137.02457	6.1
137.03383	0.9
139.00375	3.2
145.02939	1.4
145.73938	1.0
147.04520	2.1
149.00883	2.8
149.06044	1.2
150.03348	0.9
151.04025	1.2
156.81947	1.0
159.03169	1.1
159.04550	1.3
161.02449	23.0
161.04562	4.0
161.05838	1.1
163.04021	9.3
173.02319	1.0
177.05580	1.5
179.03497	74.2
180.03835	3.3
183.14005	2.0
187.04050	2.2
191.03499	4.1
193.05035	1.5
195.13934	1.6
211.13428	1.6
213.14981	15.0
219.02997	22.4
231.02939	4.9
244.38065	0.9
275.02042	1.7
293.03027	24.2
294.03366	1.5
331.15350	1.2
333.41977	0.9
345.15494	35.7
345.30002	2.0
346.15961	3.3
375.18121	5.2
375.27551	8.9
506.34738	1.2
507.28113	1.7
507.35327	17.5
508.26822	4.0
508.35385	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.172
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	7.4
59.01382	88.9
61.98813	6.4
69.03452	2.5
70.92293	2.6
70.92619	2.6
71.01385	81.1
72.99320	5.5
73.02943	6.1
81.03455	3.9
82.16479	1.6
83.01339	2.4
85.02962	10.9
86.82236	1.8
87.00880	10.0
89.02446	100.0
95.01390	2.9
96.95999	6.0
97.02966	4.0
99.00904	2.0
101.02448	17.0
109.02991	2.3
111.00870	4.6
113.02440	14.1
115.04083	1.8
119.03490	5.4
121.02954	7.1
122.03754	5.0
123.04517	2.2
125.01587	3.2
125.02438	24.4
131.03517	24.9
135.04449	2.8
141.01945	3.1
143.03580	3.3
149.00903	5.6
149.02452	4.5
149.04549	40.5
150.03230	72.7
151.03979	4.2
153.05521	2.3
161.02469	2.7
162.03252	4.5
163.03973	2.3
164.04732	2.3
165.04135	2.8
165.05568	52.4
166.05092	5.5
177.01961	4.1
180.04320	9.8
181.04762	2.6
191.05627	9.3
195.06627	62.1
233.06648	6.2
293.08795	83.4
294.09213	5.4
351.27536	1.8
387.20297	3.6
447.22604	2.5
459.15027	8.7
465.15961	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	507.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64180	1.2
57.12502	1.1
59.01380	19.8
71.01381	2.4
71.44621	1.9
72.99300	1.9
73.02910	1.4
75.00876	7.7
80.80022	1.2
87.00873	25.9
89.02443	1.9
99.00874	3.1
101.02449	2.5
105.01934	24.7
114.27370	1.2
116.83891	1.3
147.02998	3.5
165.04037	100.0
166.04359	3.4
167.10712	1.3
177.01942	6.6
212.33763	1.3
248.03593	1.3
387.20203	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	506.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	48.9
59.01678	2.4
60.01713	2.0
61.54503	1.1
61.98832	100.0
65.00312	3.3
66.20547	1.0
71.01389	8.3
72.99306	1.5
73.02939	3.1
75.60488	1.0
81.49753	1.3
83.01369	1.6
85.02968	2.6
87.00867	4.4
89.02450	4.4
93.03490	1.1
95.01321	1.1
98.20627	2.6
101.02451	8.0
101.69768	0.9
105.03458	1.1
107.01370	2.0
109.02960	2.7
113.02433	3.8
116.92908	1.3
119.03522	2.5
119.05041	3.4
120.01254	1.6
123.04501	4.0
125.02442	1.9
133.02946	4.5
134.03833	1.2
135.04538	20.6
136.04016	1.2
136.04968	1.7
138.05548	5.7
141.74316	1.2
147.89200	1.1
149.00903	5.4
149.02380	1.6
149.09772	1.3
150.03262	1.6
151.00368	16.0
151.03995	7.9
160.04041	1.1
161.02411	6.5
161.04591	1.2
162.02788	3.0
163.03979	1.9
164.03540	7.9
167.03499	1.4
167.10802	2.4
177.01913	30.3
178.02676	1.1
179.03458	6.2
179.05542	1.7
180.04022	2.3
181.05057	3.2
181.08649	1.2
193.05023	1.8
194.08205	4.0
195.08308	1.1
218.85818	1.1
223.13306	1.4
224.13809	1.2
228.07440	1.4
236.51106	1.3
255.10347	2.2
256.10623	2.7
269.11880	1.2
285.04102	8.2
313.10907	2.3
313.97949	1.1
321.32333	1.3
323.56741	1.2
341.10703	1.3
373.14166	1.4
374.08948	1.5
375.10910	1.7
387.20139	2.5
405.21069	1.1
443.19211	17.9
447.22443	3.8
471.11255	4.9
491.36108	1.2
506.15643	13.9
507.16910	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57476	0.7
59.01094	1.0
59.01384	19.4
60.01699	0.8
61.98833	100.0
70.32003	1.4
70.32356	2.1
71.01382	4.7
73.02956	1.0
87.00894	1.6
89.02449	2.9
98.20548	0.8
101.02467	2.3
113.02446	1.1
117.98981	0.7
119.03542	1.0
119.05019	1.2
131.03581	0.8
133.02957	2.0
135.04530	10.1
149.00905	1.0
151.04004	2.3
161.04576	1.6
163.03944	0.9
167.10747	2.2
177.01927	25.0
179.03406	2.3
181.05077	1.2
194.08186	2.0
201.95752	0.7
243.16101	1.2
253.39943	0.9
360.52039	0.9
374.12491	1.1
387.20309	1.0
439.18375	0.8
443.19220	20.4
444.19525	2.7
447.22147	1.9
471.11438	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	506.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	100.0
71.62166	88.1
96.95952	63.1
99.28320	50.2
118.02193	54.0
143.53732	48.4
147.78539	50.2
348.58188	62.3
432.73434	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1147
Annotation	2''-Acetylcallunin
Peak:m/z	Relative Intensity
56.92028	0.4
57.03452	1.5
59.01379	9.8
61.98833	12.4
63.02398	1.8
63.64089	0.4
65.00326	18.0
68.99782	0.4
69.58529	2.2
71.01371	2.5
72.99300	0.5
73.02916	2.0
75.00877	0.8
81.76779	0.4
82.91327	0.4
83.01385	7.4
85.02946	0.9
86.09572	0.3
87.00883	1.7
89.02466	1.2
93.03484	0.7
94.14434	0.4
95.01407	0.5
99.00901	0.4
99.04535	0.4
101.02460	1.8
105.03436	0.5
107.01392	24.4
108.01710	0.8
109.02950	1.4
112.98842	0.3
113.02437	0.8
116.92867	1.2
117.03456	0.4
119.05028	0.9
121.02948	0.7
122.03726	0.6
122.06169	0.6
123.00913	0.8
123.04537	6.7
124.01659	0.9
124.04831	0.4
125.02454	11.0
132.04562	1.6
133.02968	4.3
133.05347	0.9
134.03738	0.7
134.06174	0.4
135.04529	3.3
136.04861	0.4
137.02449	0.8
139.03979	0.6
145.02979	0.5
147.04521	0.5
149.00919	1.3
149.02376	1.8
149.06093	0.6
150.03230	11.1
151.00374	100.0
151.03984	14.4
152.00874	4.3
153.04031	0.4
159.04538	0.7
160.01639	0.6
161.02426	0.7
163.04024	0.9
165.01990	1.1
165.04279	0.9
166.02710	0.7
169.01428	2.0
171.04524	0.4
173.06071	0.6
174.03326	0.6
175.04007	2.6
176.01183	0.8
177.01942	1.5
178.99869	3.9
179.03424	1.0
180.04242	0.5
181.05032	1.9
185.06056	0.9
187.03979	0.5
189.05569	0.8
193.01456	0.3
193.05128	0.7
195.04677	0.3
195.06564	0.7
198.03203	0.5
199.04015	2.2
201.01961	0.7
201.05733	0.4
205.25832	0.4
213.05504	0.9
215.03491	0.7
215.11858	0.5
217.05028	0.9
219.39871	0.3
225.07655	0.6
229.05104	0.8
229.09729	0.5
240.04221	0.4
241.05054	2.2
243.02998	0.8
257.04547	0.8
257.12888	0.9
258.05304	0.4
259.06058	0.4
267.03094	0.6
283.10910	0.9
285.04041	46.7
286.04358	3.8
295.08310	0.6
301.12061	0.7
302.03851	1.2
303.05151	1.6
341.09427	0.4
345.10831	5.7
355.10217	1.6
356.18512	0.3
381.08224	3.7
382.08615	0.4
387.11530	0.8
444.15875	0.6
459.17261	0.3
463.12460	0.6
481.69434	0.4
489.10550	0.7
507.11154	9.5
507.28235	0.7
508.11774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3018
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.01863	0.8
57.03434	2.6
59.01379	14.4
61.98812	2.6
70.59149	0.9
71.01379	17.4
71.61842	1.1
72.99310	5.8
73.02961	0.9
75.00875	16.6
77.40814	0.7
83.01369	1.2
85.02953	20.7
87.00877	6.7
89.02442	5.3
95.01393	4.4
96.72990	0.8
96.95999	2.0
99.00887	8.6
103.00352	2.8
111.00814	0.9
111.51604	0.9
113.01696	1.6
113.02452	29.1
115.00343	1.5
117.01903	2.5
118.66871	0.9
129.01942	1.6
139.00391	0.9
143.51503	0.9
175.02431	3.6
205.07149	2.6
216.48640	1.0
223.08205	1.1
231.05020	0.9
249.06157	7.0
253.09172	0.8
255.23285	78.1
256.23639	5.5
267.07214	7.5
269.24863	5.8
271.02563	1.8
279.23273	0.9
300.02649	2.4
301.03250	1.2
487.29123	2.6
505.09866	2.0
505.30103	100.0
506.30289	11.8
506.36801	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93888	0.7
59.01098	1.9
59.01380	29.3
61.98523	1.9
61.98832	36.4
65.05272	0.9
69.51184	5.4
71.01384	14.4
73.02945	1.6
83.01375	1.7
83.41157	0.9
85.02959	1.3
87.00858	3.2
89.02438	14.0
93.03450	5.8
93.44115	0.8
99.12206	1.0
101.02441	8.1
109.02946	1.2
110.02489	4.9
112.98791	1.1
113.02469	6.5
119.03497	5.1
119.05008	1.2
120.04562	1.1
121.02967	4.3
122.02451	1.4
123.03279	12.5
123.04556	1.5
135.04509	9.6
136.04025	9.8
138.05609	59.1
139.05914	2.0
143.03499	1.5
143.82130	1.0
146.02409	3.1
149.01132	6.3
149.05913	0.9
151.00348	1.6
151.04024	3.0
154.82063	1.0
160.04085	1.0
161.02380	1.4
161.04547	2.5
163.03986	1.3
164.03535	100.0
165.03915	5.1
167.10614	1.1
171.87579	1.0
177.01953	6.8
179.03506	2.1
179.05603	2.9
182.04558	3.9
193.05081	1.1
194.08189	2.1
206.04584	1.8
224.05600	2.4
254.06628	2.0
284.07678	2.7
323.09671	1.3
326.08682	1.5
341.10867	16.1
342.11124	1.6
344.09885	2.0
428.42160	0.9
441.55850	0.9
443.19193	8.8
447.22348	1.7
469.20901	0.9
502.37869	1.0
506.15103	56.5
507.15674	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	505.2574
Annotation	Amoritin
Peak:m/z	Relative Intensity
58.27624	0.8
58.73452	0.7
59.01371	2.9
61.98822	2.8
70.93702	1.0
70.94028	0.9
74.11175	0.7
74.58562	0.7
78.95901	24.9
86.86230	0.6
96.96968	1.9
101.60420	0.6
111.28883	0.7
133.75511	0.6
152.99590	39.6
171.00645	1.6
227.03262	6.5
245.04321	1.8
271.02502	1.8
277.21713	100.0
278.22076	8.3
300.02774	2.8
301.03647	1.1
302.37140	0.6
413.21204	1.1
505.25723	64.1
506.25967	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2808
Annotation	Mucronine A
Peak:m/z	Relative Intensity
59.01390	2.5
61.98802	0.6
70.18372	1.6
75.26503	0.4
78.95899	3.9
86.39058	0.4
89.02444	0.8
91.04023	0.8
96.96974	0.5
117.03466	23.9
118.03789	0.9
119.05026	33.0
120.05371	0.9
121.02967	4.3
123.04520	1.5
133.02989	0.5
145.02954	100.0
146.03293	3.6
152.99597	7.4
162.03233	1.2
163.04015	19.3
216.63264	0.5
220.14673	0.5
255.03136	0.7
267.19611	1.3
271.02542	1.3
285.20740	8.8
300.02682	2.5
301.03326	1.0
345.24234	0.7
413.23325	14.4
414.23734	2.0
431.24359	17.0
432.24771	2.2
505.28073	67.7
506.28308	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	505.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12475	0.4
52.29197	0.4
58.90222	0.3
58.95281	0.4
59.01377	2.1
61.98827	1.6
69.42046	0.3
69.71861	0.7
69.72272	1.4
72.33750	0.4
72.77076	0.4
78.95905	19.1
89.02437	0.4
91.04009	1.2
94.63053	0.4
96.96970	2.3
117.02623	0.9
117.03474	24.2
119.05030	32.3
120.05360	0.9
121.02962	4.6
123.04522	1.1
133.02968	1.3
145.02960	100.0
146.03302	4.4
152.99596	32.6
153.99908	0.5
162.03239	0.9
163.04021	22.0
164.04332	1.2
171.00667	1.2
182.38066	0.4
243.02847	0.5
255.02943	0.7
267.19638	1.4
271.02588	1.1
285.20706	9.5
286.21011	0.8
300.02652	2.1
301.03506	0.9
345.24301	0.4
413.23352	14.4
414.23779	1.8
431.24365	16.6
432.24615	2.0
505.10059	1.2
505.28082	63.7
506.28342	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	505.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79038	0.6
59.01381	17.5
65.14224	0.6
68.99796	1.4
71.01376	1.7
71.38713	0.9
72.99318	3.1
83.01434	0.6
84.99301	8.6
87.00876	6.4
101.02434	0.6
109.20876	0.6
111.08178	0.7
112.98811	100.0
113.99146	2.1
117.03472	3.1
119.05020	22.7
121.02979	1.3
127.00388	3.2
133.02954	1.8
134.03717	2.0
143.05032	2.0
145.02946	11.2
147.04517	7.7
149.00897	0.9
159.04510	0.8
161.06039	1.2
161.32878	0.7
163.04008	8.7
165.12837	7.7
171.04558	1.5
172.82103	0.6
175.04005	6.6
177.01913	1.1
178.02689	1.6
183.13895	22.9
184.14221	2.0
189.05518	0.8
197.15503	0.9
203.03502	24.7
204.03879	1.5
207.13977	0.9
209.11900	1.4
211.13345	1.8
215.03520	4.5
225.14990	1.0
227.12875	24.6
232.98026	0.8
233.04491	0.9
241.58609	0.6
251.12817	1.4
259.02408	2.8
265.31128	0.7
269.13837	0.9
277.03531	34.3
278.03888	2.6
315.14160	0.8
341.12622	1.0
345.17050	2.2
359.13528	3.7
404.69678	0.7
501.27780	0.8
526.98840	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.4
59.01381	100.0
60.01705	0.8
62.73693	0.3
69.68984	1.4
69.69391	0.5
71.01388	1.8
72.99301	0.4
73.02956	1.6
85.02982	0.7
87.00886	0.9
89.02480	1.0
96.96031	0.5
101.02467	1.4
109.02980	0.6
110.28813	0.3
113.02464	1.0
125.02452	0.4
135.04527	1.8
137.02454	0.4
140.07188	1.8
143.03510	0.4
149.00966	1.5
149.04610	0.6
149.06104	0.4
161.04668	1.2
163.03995	0.4
164.07159	0.3
179.03526	1.1
205.12325	1.2
223.13428	1.6
238.36443	0.3
241.14433	0.4
255.10236	0.5
271.02179	0.5
283.15588	1.1
373.09326	0.9
385.18802	1.0
445.20935	1.5
505.23300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60833	0.5
59.01371	2.0
70.12350	2.2
71.01368	0.4
76.76442	0.4
78.95903	10.2
96.95992	0.4
96.96951	1.0
98.20560	0.6
100.40293	0.5
130.24028	0.4
133.74417	0.4
138.51508	0.4
152.99579	17.2
171.00618	1.3
221.98294	0.5
227.03308	2.9
245.04449	2.1
267.64273	0.4
271.02408	1.3
277.21701	100.0
278.22055	8.5
300.02820	1.2
311.10657	0.4
328.63638	0.5
328.76752	0.4
505.09842	1.0
505.25723	32.9
506.26044	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	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79574	0.2
57.03456	1.3
59.01379	9.8
60.81977	0.2
61.98829	0.6
65.03622	0.3
65.03963	6.4
67.01891	3.2
70.90069	0.5
70.90430	0.3
71.01389	2.5
72.99308	0.8
73.02954	0.6
83.01391	0.7
85.02944	1.4
86.03325	0.2
87.00877	4.4
89.02441	1.0
95.01380	0.3
97.02970	0.3
97.06594	0.5
99.00911	0.8
101.02473	1.5
103.00380	1.1
108.02206	0.6
109.02953	100.0
110.03289	2.6
112.01584	0.2
112.98808	1.2
113.02460	1.4
117.03445	0.3
119.05042	0.6
121.02968	1.7
124.01646	0.3
125.09776	0.3
130.99852	0.8
134.03751	0.5
135.04520	1.5
145.02995	0.8
148.01680	1.6
149.00877	1.0
149.02296	0.4
150.03195	1.0
151.00365	0.6
151.03922	0.3
153.09239	0.3
155.10805	0.2
161.02455	1.1
161.04622	0.5
162.88022	0.2
163.00365	0.6
163.04050	0.6
165.05551	0.4
171.10254	0.3
176.01140	11.3
177.01553	0.5
178.99883	0.3
179.03506	0.9
187.03877	0.3
191.03496	16.8
192.03870	0.8
193.05113	0.6
197.29469	0.3
205.05128	0.3
243.02872	0.4
254.02014	0.3
255.02980	0.8
257.17587	0.8
271.02365	2.0
285.04117	0.3
300.02759	3.5
301.03500	2.1
301.07184	4.6
301.20425	0.3
302.07285	0.4
327.21768	0.3
329.26672	0.3
343.24976	0.8
346.80475	0.3
355.24777	0.6
361.29483	0.6
372.24655	0.5
373.25928	36.2
374.26199	2.8
375.23215	0.3
383.09900	0.3
445.24402	0.3
504.32721	0.9
505.13187	4.1
505.26425	3.5
505.33524	1.3
506.14429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79574	0.2
57.03456	1.3
59.01379	9.8
60.81977	0.2
61.98829	0.6
65.03622	0.3
65.03963	6.4
67.01891	3.2
70.90069	0.5
70.90430	0.3
71.01389	2.5
72.99308	0.8
73.02954	0.6
83.01391	0.7
85.02944	1.4
86.03325	0.2
87.00877	4.4
89.02441	1.0
95.01380	0.3
97.02970	0.3
97.06594	0.5
99.00911	0.8
101.02473	1.5
103.00380	1.1
108.02206	0.6
109.02953	100.0
110.03289	2.6
112.01584	0.2
112.98808	1.2
113.02460	1.4
117.03445	0.3
119.05042	0.6
121.02968	1.7
124.01646	0.3
125.09776	0.3
130.99852	0.8
134.03751	0.5
135.04520	1.5
145.02995	0.8
148.01680	1.6
149.00877	1.0
149.02296	0.4
150.03195	1.0
151.00365	0.6
151.03922	0.3
153.09239	0.3
155.10805	0.2
161.02455	1.1
161.04622	0.5
162.88022	0.2
163.00365	0.6
163.04050	0.6
165.05551	0.4
171.10254	0.3
176.01140	11.3
177.01553	0.5
178.99883	0.3
179.03506	0.9
187.03877	0.3
191.03496	16.8
192.03870	0.8
193.05113	0.6
197.29469	0.3
205.05128	0.3
243.02872	0.4
254.02014	0.3
255.02980	0.8
257.17587	0.8
271.02365	2.0
285.04117	0.3
300.02759	3.5
301.03500	2.1
301.07184	4.6
301.20425	0.3
302.07285	0.4
327.21768	0.3
329.26672	0.3
343.24976	0.8
346.80475	0.3
355.24777	0.6
361.29483	0.6
372.24655	0.5
373.25928	36.2
374.26199	2.8
375.23215	0.3
383.09900	0.3
445.24402	0.3
504.32721	0.9
505.13187	4.1
505.26425	3.5
505.33524	1.3
506.14429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98808	0.6
66.48167	0.3
72.59554	0.3
78.95924	1.5
93.03478	0.4
121.02957	100.0
122.03278	2.7
145.02933	0.9
152.99550	2.8
169.32431	0.4
180.05824	0.5
181.06593	2.5
197.06075	2.8
207.04520	1.5
223.04060	0.7
225.05539	2.1
255.03000	0.6
257.09756	0.7
271.02466	1.5
295.06183	0.4
300.02817	1.9
301.03476	0.8
313.07269	4.3
357.06161	1.2
373.10626	0.4
383.07953	0.9
389.10327	0.6
417.09796	8.5
418.10086	1.4
433.09442	0.4
505.11298	8.4
505.27652	0.7
505.35336	0.6
506.11581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1352
Annotation	Viscumneoside VI
Peak:m/z	Relative Intensity
52.50423	0.7
59.01381	17.6
60.94317	0.7
61.98824	2.3
65.03959	7.0
65.32759	0.6
67.01879	3.1
67.90504	0.7
71.01365	3.2
71.61819	0.8
71.62238	1.1
72.99301	3.3
73.02950	1.1
75.00873	2.0
85.02927	1.1
87.00878	6.3
89.02444	2.1
91.01904	2.6
93.03470	1.4
96.20260	0.6
101.02453	2.2
103.00385	2.2
108.02158	3.2
109.02953	100.0
110.03268	3.2
112.98830	0.7
113.02448	1.3
117.03470	0.7
119.03452	0.7
119.05045	1.7
120.02154	1.0
121.02962	2.4
122.03801	1.0
123.04522	1.7
125.02457	1.2
130.99884	1.0
134.03725	1.3
135.00896	3.2
135.04524	20.0
136.04869	0.9
137.02412	1.7
143.03452	0.7
145.03003	4.1
147.04491	1.2
148.01671	6.7
148.05293	1.4
149.00920	19.0
149.02338	2.3
149.06108	1.2
150.03203	2.0
151.00375	0.8
151.03929	0.9
153.01923	2.0
153.05566	1.3
159.04503	1.3
161.02397	3.5
161.04556	0.6
163.00320	1.6
163.04037	2.6
164.01120	1.2
165.05482	1.0
176.01141	75.3
177.01692	4.6
178.02629	0.7
178.10115	0.6
179.03499	17.1
180.03925	1.2
187.04073	0.9
189.05515	0.8
191.03493	66.6
192.03806	3.9
193.05107	1.1
202.06279	0.6
209.04604	1.8
213.05576	1.2
225.02254	0.9
232.92746	0.8
239.03539	0.8
239.05684	1.1
240.04289	1.0
243.03073	0.8
263.05524	0.9
268.03799	4.3
271.02621	1.8
283.06165	4.9
283.09821	0.7
285.04080	2.6
285.11316	3.0
286.04758	3.0
296.55237	0.7
300.02835	3.3
300.06140	0.6
301.03659	1.8
301.07147	29.0
302.07523	2.1
307.04822	0.9
307.08279	1.8
317.08749	0.7
329.09952	1.5
344.06506	0.7
373.09225	6.3
445.11453	1.3
463.12320	1.1
505.13583	39.4
506.13763	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
50.66124	0.3
59.09383	0.3
63.02386	0.4
65.00318	0.8
71.10085	0.6
82.57838	0.3
83.01390	0.5
100.54700	0.3
107.01395	2.3
108.02177	0.9
109.02915	0.7
121.02968	1.6
135.00896	0.8
137.79176	0.3
148.01660	1.2
149.02446	0.3
151.00374	8.8
152.00804	0.5
161.02551	0.3
163.00404	1.9
164.01137	0.4
169.01416	0.3
175.03822	0.3
178.99854	5.0
183.04478	0.6
191.85379	0.3
199.04047	0.9
201.01852	0.3
211.03932	1.0
215.03471	1.0
216.04202	0.6
226.02710	0.9
227.03491	2.8
229.04994	0.5
243.02972	9.0
244.03517	1.0
245.04488	0.9
254.02260	2.1
255.02983	22.5
256.03265	2.0
271.02463	45.6
272.02921	4.6
273.03955	0.7
283.02402	0.9
299.02084	1.0
300.02740	100.0
301.03458	42.7
302.03870	2.7
302.49081	0.3
343.04626	0.4
414.47556	0.3
463.08826	3.5
505.09882	56.3
506.10168	6.6
526.04364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0989
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
57.03461	0.4
59.01375	4.6
63.02411	0.7
65.00317	1.4
65.08036	0.3
69.36621	0.6
69.37038	1.9
71.01376	1.5
72.99310	5.0
73.02963	0.7
83.01405	1.1
85.02975	1.0
87.00894	1.2
89.02451	0.8
93.03465	0.6
98.19875	0.4
99.00891	0.6
101.02458	1.1
103.00340	0.6
105.67278	0.3
107.01389	2.8
108.02184	1.9
108.61927	0.3
109.02943	2.7
113.02445	0.9
117.03553	0.3
119.01405	0.6
119.05025	0.6
121.02933	2.7
123.04552	2.0
124.01608	0.3
125.02459	1.0
127.05677	0.3
133.06526	0.3
134.03723	0.4
135.00912	1.1
135.04512	3.8
137.02492	0.6
145.02986	1.3
147.04561	0.5
148.01669	2.2
149.00890	0.3
149.02519	0.5
151.00362	12.3
159.04546	0.6
160.01706	1.2
161.02477	0.8
161.04590	0.4
163.00372	2.9
163.04065	0.5
164.01149	0.9
167.05023	0.4
175.03998	1.7
178.99857	6.3
179.03490	3.2
183.04506	0.6
187.03947	0.7
190.99939	0.4
192.00670	0.3
193.19315	0.3
197.04543	6.8
199.03966	1.2
200.05037	0.3
201.05597	0.4
203.03459	0.7
211.03993	1.3
215.03464	0.8
216.04245	0.8
226.02759	1.4
227.03456	3.6
228.03979	0.4
229.05052	1.0
239.03419	0.5
243.02957	11.6
244.03484	1.1
245.04474	1.5
253.08626	2.1
254.02187	1.4
255.02962	28.4
256.03290	2.0
266.02036	0.7
271.02463	59.9
272.02893	4.8
273.03964	1.2
278.81061	0.4
283.02380	1.1
297.07651	0.3
299.02020	3.2
299.05313	0.5
300.02734	100.0
301.03476	48.9
301.06537	0.6
302.03784	3.0
359.09805	6.9
360.09985	0.7
373.10455	0.3
373.18488	0.9
373.25925	1.1
445.07703	2.6
461.14401	1.2
463.08542	1.8
484.53314	0.3
505.09772	57.0
505.25363	1.9
506.10138	7.2
531.23218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3378
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
52.99632	0.2
59.01392	1.1
60.51071	0.2
64.44974	0.2
67.61232	0.2
70.02859	0.2
71.01372	0.4
71.05016	0.2
71.22913	0.4
85.53139	0.2
87.00861	0.4
90.14361	0.2
112.98798	0.5
135.04543	0.4
157.98036	0.2
201.09328	0.3
301.21594	0.4
407.29260	0.3
455.31415	0.3
503.33768	100.0
504.34091	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	505.0989
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.01382	1.4
61.98823	0.4
62.11706	0.4
64.82408	0.5
64.82767	0.4
65.00312	0.9
70.39445	0.9
70.39802	1.3
73.22614	0.4
83.01388	0.7
91.01892	0.6
91.24024	0.4
107.01398	2.4
108.02192	1.5
109.02962	1.2
121.02925	0.7
126.52435	0.5
135.00877	1.0
135.09709	0.4
148.01677	1.7
149.21437	0.4
151.00368	7.0
163.00372	1.7
164.01247	0.5
178.99863	4.0
180.41931	0.4
192.00729	0.5
193.44739	0.4
199.03918	1.2
201.05519	0.6
202.23993	0.5
211.03922	0.9
215.03491	0.8
216.04237	0.6
226.02751	1.8
227.03548	3.2
243.02968	12.4
244.03348	0.9
245.04576	0.8
254.02284	2.4
255.02988	30.0
256.03384	2.1
271.02466	68.8
272.02887	6.3
273.03995	1.0
283.02496	1.0
296.81995	0.5
299.02002	1.8
300.02744	100.0
301.03406	29.8
302.03906	1.8
333.82480	0.4
333.87439	0.4
346.29431	0.5
359.10275	0.4
415.83350	0.5
445.07672	8.6
446.08020	0.6
463.08768	1.2
467.51343	0.5
505.09851	63.4
506.10095	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	503.276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89941	1.6
59.01361	5.6
60.78239	1.8
61.98835	2.6
66.03496	14.9
66.76102	2.0
68.01410	3.4
70.64308	6.0
78.54778	1.8
78.95894	3.0
79.63190	1.8
79.75706	1.8
82.02985	35.5
82.29642	1.9
92.39350	1.9
94.02965	3.8
110.02480	100.0
111.01997	9.8
111.02727	2.7
120.04527	2.4
122.02459	7.4
136.03951	1.8
140.03552	10.0
153.03043	11.5
155.90581	1.8
164.03494	6.9
182.04535	6.7
206.80371	2.0
229.75717	2.1
267.23233	9.2
277.21716	17.3
444.47635	1.8
460.26901	6.5
465.73965	2.1
503.27368	15.0
503.33966	3.0
503.37384	3.1
504.27887	2.5
509.15396	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	503.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.0
58.00578	1.6
59.01380	100.0
59.40933	1.1
60.01712	1.8
60.28111	1.1
65.29623	1.2
69.03438	1.2
71.01379	25.7
71.05003	1.0
72.81554	1.1
72.99296	3.9
73.02945	7.1
83.01379	3.3
85.02959	11.4
87.00872	15.6
89.02444	7.7
89.45943	1.0
93.57632	1.2
95.01360	2.3
97.06612	1.4
99.00865	4.9
101.02454	15.2
101.06100	1.1
103.00368	4.3
112.98806	3.8
113.02441	14.2
119.03477	3.0
119.05042	2.1
125.02452	1.5
130.99797	2.0
133.02991	1.1
135.04489	5.5
137.02411	1.3
145.02931	1.6
148.99950	1.2
149.00923	9.7
149.04584	1.5
159.04536	1.5
161.02489	2.2
161.04570	5.4
163.04070	1.2
165.09285	1.3
177.05637	1.8
178.08507	1.3
179.03537	2.0
183.13908	1.2
186.06853	1.3
187.07625	1.5
201.14877	1.1
203.03505	2.1
209.08035	1.3
214.06287	2.7
215.07184	1.4
229.08643	4.2
270.12265	1.5
327.16211	5.3
359.27872	3.9
371.14978	7.9
371.20175	1.7
371.24420	16.9
399.23770	7.2
417.24918	10.7
441.23599	1.5
459.24390	2.7
471.60461	1.3
478.74539	1.3
503.16602	1.4
503.24829	5.1
503.32230	14.7
504.24753	1.6
504.32077	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
56.04779	1.7
57.03440	9.0
58.00579	1.8
59.01381	100.0
60.07734	1.7
61.98826	2.5
62.63956	1.8
69.03452	2.1
69.90680	2.0
71.01385	37.9
71.05025	2.0
71.06784	1.6
72.01697	2.3
72.99304	6.0
73.02950	8.6
83.01373	10.9
85.02952	21.4
85.06565	1.9
87.00882	21.8
89.02441	12.2
92.23805	2.2
95.01381	4.6
97.06580	8.0
99.00873	9.5
101.02442	20.7
103.00365	6.8
112.98789	8.4
112.99506	1.9
113.02455	30.0
119.05022	6.2
124.01651	2.2
125.02419	3.0
126.67213	1.8
135.04506	5.6
139.04192	2.1
140.92673	1.9
140.98079	1.8
141.84709	1.9
143.03445	2.2
145.02943	4.0
145.26659	1.9
147.11789	2.9
149.00923	12.1
149.04440	2.6
149.06046	2.0
157.12234	2.3
158.50751	1.9
161.02501	2.5
161.04550	7.8
163.03938	4.1
177.01947	2.2
177.73013	1.8
179.03506	3.5
193.05040	2.5
243.19678	3.4
283.13364	2.1
299.01785	2.6
309.15027	5.4
311.12820	4.9
327.15927	8.6
359.27957	7.7
371.15009	15.7
371.24396	40.8
372.24634	5.7
383.06934	1.9
387.23822	2.2
399.23795	9.3
503.25064	8.4
503.32291	42.7
504.32397	5.5
528.93835	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	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
58.00584	0.5
59.01381	20.7
69.45120	3.2
71.01395	2.4
72.99300	2.1
73.02956	0.9
85.02954	1.2
87.00878	18.7
87.01418	0.9
88.01186	0.5
97.06589	1.1
99.00877	1.4
101.02423	1.3
103.00385	2.6
112.98798	3.8
113.02449	1.2
119.05000	0.8
121.02935	0.6
130.99858	1.5
135.04524	1.8
146.03760	0.6
149.00845	2.5
149.04474	0.4
158.03815	0.5
158.07401	0.6
159.04506	1.3
161.02481	0.7
161.06093	1.0
163.04007	0.7
172.05290	1.1
173.06073	1.7
174.03307	0.8
174.06812	1.3
175.03984	0.9
179.03523	0.6
181.15982	0.9
186.06905	2.8
187.07607	2.9
189.05531	0.6
199.03973	0.6
200.04735	3.4
201.05556	3.7
201.09206	2.1
202.06071	0.5
203.07208	1.1
211.07617	1.2
211.13467	0.9
214.06339	4.9
215.07109	4.0
223.13342	0.7
225.14970	1.1
229.08681	11.1
230.09331	2.7
247.09755	0.6
274.08487	2.6
279.23221	1.2
283.13324	1.0
289.15005	0.5
290.15186	0.6
291.23331	2.2
293.21243	1.4
295.22800	3.2
299.02042	0.8
307.22769	1.0
309.14966	1.3
309.24371	3.7
311.12872	0.9
317.21558	0.5
323.22235	2.2
327.16034	1.0
327.25461	1.1
335.22253	2.1
341.23395	2.7
344.16422	0.9
353.23343	8.4
354.23581	0.8
359.28024	0.7
371.14972	5.1
371.24371	100.0
372.24725	9.3
421.38089	0.5
503.17615	0.8
503.24893	5.9
503.32483	2.3
504.25150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.6
59.01381	87.7
60.01702	1.2
65.26351	1.1
69.03461	2.8
71.01385	57.0
72.19958	1.0
72.99323	3.7
73.02951	37.4
75.00893	1.8
81.03471	2.7
82.80647	1.0
82.94062	0.9
83.01403	4.3
85.02951	7.5
87.00867	10.2
89.02446	79.4
90.02749	1.1
97.02958	4.6
99.00883	100.0
100.01219	1.1
101.02451	15.7
103.00385	2.2
111.00931	1.3
112.98840	2.3
113.02441	13.6
119.03555	1.9
125.02453	7.8
127.04002	2.2
131.03508	20.8
135.04547	1.4
136.18871	1.0
143.03506	6.9
149.00903	2.1
149.04556	78.0
150.04910	2.2
155.03511	5.5
161.02429	1.6
161.04581	5.1
161.05804	1.2
163.04027	1.3
167.10782	28.1
172.05215	1.5
173.06010	1.0
186.06937	2.1
191.05611	43.4
191.07355	2.2
191.10687	2.8
192.05925	1.6
200.04723	1.3
203.05621	24.6
209.11833	3.4
214.06381	4.1
215.07014	1.6
221.11848	1.7
229.08679	5.8
230.09537	1.9
233.06686	13.1
251.12846	2.3
279.57892	1.1
309.15060	2.0
311.12924	1.1
327.16055	1.4
335.09763	4.7
353.10782	1.3
371.14920	3.5
371.24405	4.3
503.25391	1.6
503.32788	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01382	12.8
61.98827	1.9
69.03464	0.6
71.01380	7.4
71.10023	0.7
71.10371	0.9
72.99311	1.7
73.02953	1.3
75.00864	1.1
83.01399	0.8
85.02959	3.1
87.00881	1.9
89.02449	4.4
89.76536	0.7
93.38861	0.6
95.01328	1.0
96.96030	1.1
96.96970	1.0
99.00873	0.9
99.92604	0.5
101.02448	2.9
107.04958	0.6
108.02181	14.4
109.02980	4.2
113.02460	3.2
115.92096	2.7
116.92881	0.8
117.03471	0.9
119.03526	1.0
121.02953	0.8
123.00964	0.5
123.04568	0.6
132.02167	1.3
133.02957	28.6
134.03777	2.8
135.04526	41.9
136.04851	2.2
137.02475	2.2
143.03423	0.8
148.05286	0.8
149.00897	1.3
149.06081	2.4
152.01146	26.4
153.01718	0.8
159.04474	0.6
161.02443	100.0
162.02797	4.6
163.04010	1.1
167.03499	0.8
175.03995	1.2
177.02042	0.7
177.05537	5.7
179.03494	37.6
179.05563	1.9
180.03864	2.0
203.03499	2.3
221.04529	9.6
222.04973	0.7
229.31941	0.6
233.04659	0.6
251.05630	8.1
280.06113	0.7
281.06656	12.9
282.07056	1.1
283.09589	0.9
321.13519	0.8
323.07724	9.2
341.08789	12.7
342.09256	1.0
374.79572	0.6
399.09253	3.6
417.10287	0.8
459.11447	22.6
460.11859	1.3
503.14023	70.2
504.14471	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
59.15380	0.4
61.98820	0.5
71.01382	2.5
71.60500	0.6
75.64535	0.4
78.95908	2.3
85.20319	0.4
89.02462	1.3
95.60591	0.4
96.96024	2.4
96.96967	4.5
101.02457	1.6
113.02451	0.4
117.03465	1.4
132.02200	2.2
132.03038	0.4
133.02959	19.5
134.03825	1.0
135.04529	45.8
136.04840	2.5
137.02428	0.4
149.06071	1.4
152.01219	0.7
160.01640	2.9
161.02448	100.0
162.02779	4.5
175.04079	0.6
177.05518	2.7
179.03499	71.6
180.03883	2.5
203.03506	2.3
221.04575	1.7
223.50435	0.4
251.05647	0.6
278.57434	0.4
281.06674	0.9
323.07730	8.2
341.08759	70.7
342.09088	4.7
365.08652	0.6
432.58362	0.5
503.14090	18.8
504.14362	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	503.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
69.56775	1.2
69.57188	0.9
71.01358	0.4
75.17102	0.3
86.63723	0.3
90.66602	0.3
92.68219	0.3
107.05019	0.5
133.02986	0.6
134.02753	0.4
134.03714	2.1
135.04523	84.9
136.04860	3.5
137.02454	0.4
151.61014	0.3
161.02446	0.6
179.03490	100.0
180.03853	4.2
233.91187	0.3
308.03430	0.3
341.08743	54.0
342.09085	3.6
472.25943	0.3
503.13971	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	503.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	4.1
59.01380	100.0
69.58916	4.2
69.59333	8.2
72.99306	7.9
80.08782	2.0
87.00877	44.9
103.00375	41.6
103.53404	1.6
112.98801	8.6
118.02518	1.9
121.02956	2.3
121.33968	1.7
123.32625	1.8
130.99854	16.5
135.04544	2.2
149.00941	13.3
179.03525	2.0
211.07661	2.2
223.07584	3.1
233.05951	2.1
233.35762	1.9
235.07564	2.2
239.07132	5.9
250.06430	1.9
251.07130	11.3
263.07065	5.3
267.06638	19.7
279.06613	18.9
282.08893	10.2
294.05307	7.3
294.08939	6.6
295.05960	7.0
297.11282	3.2
307.06039	2.8
309.07697	9.5
310.08176	2.6
322.08377	7.1
323.05524	17.3
326.07919	7.5
338.07932	17.2
341.10269	55.6
342.10565	6.0
353.10281	92.4
354.10553	10.2
371.11060	2.3
416.18747	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	503.1199
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
54.65433	0.2
54.98394	0.2
57.03447	0.3
59.01379	7.7
60.01705	0.3
60.68293	0.2
67.01884	0.3
68.99793	0.3
69.36202	2.0
71.01392	2.2
72.99285	0.6
73.02960	0.5
83.01416	0.3
85.02943	1.0
87.00879	2.5
89.02446	0.5
93.03448	0.5
94.66683	0.2
95.01375	1.3
95.05007	0.3
97.97826	0.2
98.19888	0.4
99.00893	0.6
100.97215	0.2
101.02450	0.8
103.00381	0.8
105.03449	0.7
108.02190	0.7
109.02953	3.2
112.98798	0.9
113.02444	0.9
117.03434	0.5
119.05085	0.4
121.02940	1.2
123.00096	0.3
123.00901	2.8
124.01660	1.0
125.02427	0.7
130.99812	0.4
132.02151	0.3
133.02934	1.1
135.04535	0.6
136.01628	0.6
137.02423	2.5
143.05019	0.3
145.02966	0.6
147.04532	0.6
149.00948	2.0
149.02379	1.6
155.04939	0.2
157.06587	0.3
159.04430	0.3
160.01704	0.5
161.02446	6.4
161.04510	0.4
162.03177	0.3
163.03986	0.5
167.05025	0.5
169.06503	0.4
171.04442	0.4
172.02017	0.2
172.05321	0.4
173.06059	0.8
174.03210	0.3
175.03960	0.8
179.03458	0.4
180.05833	0.4
181.06635	1.4
182.03658	0.4
183.04585	1.6
185.06071	1.7
186.06889	0.5
187.03929	0.3
187.07607	0.6
195.04425	0.3
196.05254	0.5
197.06065	1.7
198.06587	0.3
199.03937	0.6
199.07651	1.0
200.04724	0.8
201.05516	0.8
201.69576	0.2
207.04482	0.4
208.05170	0.3
209.06044	3.3
211.04010	1.4
212.04691	0.4
213.05547	1.6
214.06288	0.8
215.07114	0.9
223.03949	0.3
224.04716	0.6
225.05569	4.8
226.06128	0.9
227.03535	0.9
227.07071	1.8
228.04156	0.5
229.08670	0.9
235.04018	0.4
237.05533	1.1
239.03519	0.5
240.04108	0.3
241.05028	0.8
242.05856	0.3
243.06586	1.0
251.03381	0.7
252.04231	0.6
253.05054	9.6
254.05457	0.6
255.03008	0.6
255.06479	0.5
256.03735	1.0
269.04456	1.0
270.05322	7.7
271.06094	14.4
272.06482	1.0
279.02872	0.4
281.04593	3.1
282.04974	0.5
284.03220	0.6
297.03976	0.8
298.04785	2.5
299.05591	100.0
300.05911	8.2
309.15109	0.4
327.15985	0.7
359.27948	0.5
371.14804	0.8
371.24371	3.7
459.24228	0.3
503.11996	5.6
503.24960	0.9
503.32281	1.8
504.12204	1.0
512.95007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1197
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
57.92693	0.3
57.94257	0.4
59.01377	6.2
61.98825	1.0
69.45899	1.4
69.46323	1.3
72.99289	0.6
73.02950	0.8
85.02972	0.8
85.31245	0.3
87.00882	1.7
88.98779	0.5
89.02470	1.0
91.01892	4.7
93.03410	0.6
99.00904	0.4
101.02432	0.8
104.02687	0.5
108.02206	0.6
109.02967	1.3
119.05019	0.4
121.03002	0.6
123.00864	0.8
129.03427	0.4
133.02960	0.7
134.03717	0.6
135.00883	10.7
135.04515	2.1
137.02434	0.4
145.02946	1.1
146.03722	1.7
147.00905	0.5
147.04541	4.5
148.01656	4.7
149.00903	2.6
153.01936	2.6
158.03722	1.5
159.04428	0.9
159.14351	0.4
159.75476	0.4
160.01616	0.5
161.02467	1.0
163.00348	1.0
164.04732	0.4
173.06131	0.6
173.42438	0.4
175.03935	0.5
177.01839	0.6
177.86061	0.4
179.03479	0.9
179.07065	0.6
183.04485	1.6
184.05241	0.7
185.02448	1.2
186.03169	0.4
187.04027	2.7
188.04807	0.6
192.00606	0.4
198.03178	0.8
199.04024	1.1
200.04868	1.8
210.03183	0.9
211.03979	3.6
212.04797	2.5
213.01938	1.7
214.02711	3.8
215.03400	1.7
227.03503	5.9
228.04211	1.7
238.02713	1.8
239.03465	3.6
240.04256	6.8
241.04669	0.6
255.02977	24.4
256.03625	5.0
266.02161	2.6
267.02969	1.5
267.06555	0.9
268.07401	1.1
283.02481	14.9
283.09439	1.8
284.03253	92.5
285.03647	6.6
297.04269	0.5
298.04828	0.8
298.08801	0.5
299.05606	100.0
300.05927	7.6
327.08734	1.6
443.09735	1.1
461.10712	1.0
503.11935	51.6
504.12256	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	503.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	33.2
61.98833	4.6
69.06538	2.0
71.01378	14.4
71.61417	3.7
72.99289	6.3
73.02932	3.9
75.00861	7.3
78.95898	2.0
79.76091	1.7
85.02929	8.1
87.00877	2.3
89.02419	9.0
95.42624	1.9
99.92592	1.9
101.02445	3.9
108.02179	51.7
109.02954	13.9
113.02420	2.4
115.92074	4.4
116.92848	2.7
119.05016	3.5
123.04525	2.9
133.02957	27.4
134.03711	6.3
135.04530	56.5
136.07695	2.8
149.00859	4.1
149.06010	3.8
152.01152	100.0
153.01805	4.2
161.02448	96.2
161.04477	4.5
162.02779	4.0
162.05521	3.5
163.03984	4.3
177.05557	7.3
179.03499	52.9
179.05576	15.5
180.03876	3.6
190.20805	1.8
193.05014	2.5
197.04541	3.9
221.04501	7.6
223.06068	2.3
245.37604	2.1
251.05617	7.4
281.06680	16.7
323.07703	9.9
341.08682	14.4
399.09555	12.3
417.10303	4.0
459.11401	84.4
460.11801	11.1
503.13950	81.7
504.14404	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	502.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.1
59.35922	0.3
61.98831	100.0
69.49711	1.7
69.50119	0.7
88.27818	0.3
122.21931	0.4
140.68311	0.4
184.86932	0.4
229.53639	0.3
277.21848	0.5
278.21994	0.5
280.22595	0.3
337.79721	0.3
503.33917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.51198	6.5
71.70136	3.6
77.40158	4.2
81.15969	3.8
210.70601	4.4
213.13593	4.9
274.07254	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	503.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61876	0.9
57.03451	1.0
58.00576	1.7
59.01380	45.4
61.98823	5.7
63.02377	1.6
69.50481	6.1
71.01384	16.1
72.99312	4.8
73.02948	5.8
80.91698	1.1
83.01393	2.5
85.02966	3.8
87.00874	20.4
89.02439	19.7
91.01884	2.3
93.03466	1.3
97.02927	1.0
99.00881	7.4
99.04526	2.2
101.02441	11.4
103.00384	5.1
105.01935	1.5
107.01439	2.2
108.02174	2.5
109.02953	27.4
112.98811	2.3
113.02453	5.3
119.03532	1.7
119.05043	7.7
121.02984	1.9
122.03760	1.3
122.47858	1.0
123.04562	1.6
125.02444	3.1
129.03488	5.4
130.04211	1.3
130.99878	3.3
131.03531	2.7
133.02962	3.1
134.03741	2.1
135.04509	7.7
137.02443	1.7
145.02943	13.4
146.03737	33.5
147.04526	100.0
148.01645	1.3
148.04878	3.8
149.00925	30.7
149.02068	1.0
149.04549	11.1
149.05743	1.7
150.01236	1.0
151.00368	6.6
158.03728	12.9
159.04507	13.6
161.02415	3.8
161.04677	2.1
161.06096	3.3
163.04018	1.9
167.03491	2.9
171.04437	1.1
173.06079	12.1
174.03207	1.3
175.62378	1.0
175.64110	1.1
176.01082	1.1
177.01924	1.5
178.99887	3.8
179.03519	3.7
183.04431	2.1
190.15108	1.1
191.03714	1.0
191.05693	4.1
193.05060	1.1
199.03986	2.4
200.04788	1.2
209.04535	1.9
209.11803	2.6
211.03976	4.5
211.07504	1.3
212.04744	2.0
215.03496	1.8
219.02959	1.2
221.72169	1.0
224.76137	1.1
227.03554	7.2
228.04265	4.9
239.03514	6.4
240.04251	12.5
241.01320	1.3
241.04698	1.4
243.03098	1.4
251.07573	1.3
253.08696	1.1
255.02957	15.7
256.03622	5.7
265.05066	1.2
266.05811	8.8
267.06601	19.2
268.07327	13.5
269.04794	1.8
270.01630	2.2
271.02454	3.8
272.03293	4.0
273.03955	1.8
279.06470	1.6
281.08154	4.3
283.02505	15.7
283.09744	32.1
283.14493	1.7
284.03247	51.2
284.10071	3.5
285.03809	2.9
295.02383	2.5
296.03143	2.8
297.04047	3.0
298.04764	5.8
299.02209	4.6
299.05585	99.5
300.02908	1.4
300.05905	6.8
302.43579	1.1
313.03485	2.1
327.08731	42.3
328.09076	3.6
340.02142	1.8
341.03024	11.1
353.06647	5.9
353.10379	1.6
354.07315	1.4
371.11734	3.7
371.16971	11.1
416.15997	1.5
443.09930	4.1
503.08273	10.3
503.12119	11.3
503.19769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
61.98798	1.0
63.06105	0.6
63.13365	0.6
69.36980	3.6
69.37401	2.1
71.01371	1.8
78.71577	0.6
83.01407	0.7
85.02949	0.6
86.02476	10.7
88.04037	1.8
89.02441	1.9
93.03448	5.8
96.41333	0.6
101.02467	1.1
106.04229	1.5
113.02467	0.7
113.10980	0.6
119.03545	1.0
119.05029	15.3
133.06599	9.9
135.04517	1.4
145.06511	0.7
147.04564	1.0
148.07695	0.7
160.05301	2.0
163.04007	24.2
163.07761	0.6
164.04370	1.2
175.07616	3.3
177.05571	1.9
179.03531	1.4
179.05670	1.7
187.07706	0.7
189.05605	1.2
194.08214	100.0
195.08540	5.2
207.06699	0.8
221.04558	1.5
253.06149	0.6
297.09750	2.2
308.13605	0.6
323.07718	1.4
341.08429	0.9
383.09793	2.2
503.14203	5.8
508.62912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3226
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
54.29294	0.6
55.21424	0.5
59.01377	3.2
61.75991	0.5
61.98817	1.0
71.01401	0.7
71.62386	0.7
78.00163	0.6
82.00589	0.6
100.42283	0.6
132.39119	0.6
140.25241	0.6
266.72748	0.6
272.64389	0.6
274.05023	0.6
425.30630	1.0
453.30154	2.2
471.31140	71.5
472.31564	10.9
501.32233	100.0
502.32559	14.1
529.54071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57090	0.4
52.19172	0.4
61.85200	0.4
70.27318	0.7
70.27705	1.1
76.62243	0.4
134.72510	0.4
149.09726	26.3
150.10094	1.3
156.71561	0.5
163.11290	100.0
164.11600	5.0
202.40131	0.5
321.18616	0.8
325.21722	24.1
326.22095	3.2
337.21722	10.5
338.21939	1.1
474.64679	0.6
501.33752	80.2
502.34088	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	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66386	0.3
59.01380	100.0
60.01700	1.0
69.36659	3.9
70.81149	0.4
71.01381	1.0
73.02951	0.6
85.02930	0.5
87.00892	1.1
89.73026	0.4
101.02464	0.9
101.57552	0.4
111.00891	2.9
112.98833	0.7
119.17130	0.4
119.65183	0.4
141.09270	1.1
157.40883	0.4
173.00923	0.4
219.27763	0.4
369.13666	0.6
369.23065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48711	0.9
59.01381	100.0
66.93280	0.9
68.81881	0.9
69.39201	2.6
69.39614	6.3
70.00479	1.0
70.10835	0.9
71.01381	4.1
73.02939	1.1
85.02950	2.3
89.02437	1.7
101.02422	3.7
113.02473	5.5
117.18722	0.9
119.03488	1.0
161.04521	1.2
214.89934	1.2
279.23285	99.6
280.23618	9.3
293.24829	1.5
321.24445	1.9
508.91818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3222
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
50.40232	0.4
59.01377	1.2
61.98826	0.7
62.77454	0.4
70.06943	0.9
70.07365	1.0
74.25299	0.4
90.11610	0.4
92.52422	0.4
98.19962	0.5
106.56315	0.3
126.84801	0.4
179.26152	0.4
453.30112	0.7
471.31131	10.5
472.31500	1.3
501.32217	100.0
502.25052	0.8
502.32553	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	501.3221
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
57.03439	0.8
58.00588	0.3
59.01382	10.2
61.98835	0.4
70.88861	0.8
71.01376	1.4
72.99291	0.5
73.02950	0.5
78.95914	0.3
83.01380	0.3
83.05027	0.5
85.02957	0.8
85.96107	0.3
87.00880	1.0
87.04511	1.2
89.02467	0.3
101.02435	0.8
103.00393	0.4
107.01424	0.3
112.98814	0.7
113.02499	0.3
126.52367	0.3
128.40897	0.3
133.73872	0.3
134.03705	0.4
134.21054	0.4
135.04546	0.5
137.02489	0.3
149.00977	0.4
151.00392	0.5
179.03528	0.6
187.11241	0.5
200.08517	0.3
227.07103	0.6
307.24200	2.1
325.14511	0.7
339.12335	1.0
339.25299	0.5
369.26523	0.8
373.25241	0.4
375.26917	0.5
387.27002	0.5
389.28610	0.6
393.28021	1.2
395.25302	0.4
399.23923	0.7
405.27887	2.1
407.29614	1.2
423.29077	2.1
455.31561	2.2
501.32233	100.0
502.32562	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	501.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.03443	2.8
58.85469	0.6
59.01381	54.2
61.98821	1.6
65.01138	0.8
67.01890	0.9
68.99796	0.8
71.01383	10.9
71.05018	0.8
72.99309	3.4
73.02961	5.7
83.01404	1.7
83.05022	2.2
85.02957	5.3
87.00873	6.4
87.04510	0.9
89.02452	9.6
92.20963	0.9
93.03453	0.8
95.01381	1.5
97.02951	1.1
97.06597	1.2
99.00890	3.3
99.04498	2.4
101.02443	6.3
101.06079	21.8
103.00395	2.1
106.52920	0.7
107.05055	0.6
108.02180	49.7
109.02305	1.0
109.02975	14.4
111.00901	0.6
112.98820	4.0
113.02456	6.1
115.04036	0.7
119.03524	2.0
119.05008	1.7
121.02940	0.9
123.00893	1.6
123.04474	0.9
125.02440	1.2
125.06086	1.1
128.03577	0.8
131.03445	1.8
133.02950	3.0
134.03784	3.0
135.04533	4.5
137.02444	1.3
143.03558	0.8
145.02945	3.0
146.33037	0.6
147.04529	0.9
149.00952	3.0
149.04555	4.4
149.05829	0.8
151.03992	1.1
151.07637	0.7
152.01155	100.0
153.01778	3.8
160.01602	0.9
161.02452	1.9
161.04594	2.4
163.04062	4.1
163.11237	1.1
165.05544	1.0
167.03485	0.8
169.08754	0.7
175.03923	1.0
177.01938	1.2
179.03529	2.9
179.05586	0.9
191.03662	0.6
191.05632	1.3
203.03627	0.6
207.02969	1.5
207.06743	0.9
207.10382	1.5
211.07547	0.7
219.02896	1.1
222.05353	1.2
233.69337	0.6
235.06056	1.9
237.07677	2.1
251.11378	1.8
263.07605	0.6
277.91541	0.7
285.06113	1.5
297.07928	0.9
297.11447	0.7
325.10852	0.9
325.14417	1.0
369.13199	1.1
369.22800	9.8
370.23135	0.9
399.09357	13.5
400.09668	0.8
441.21375	2.8
500.29501	0.9
501.16214	86.7
501.22806	4.0
501.30469	10.2
502.16635	10.6
502.23666	1.3
502.31387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1251
Annotation	Daphneside
Peak:m/z	Relative Intensity
59.01374	1.9
69.03448	0.9
70.03205	2.3
71.66113	0.4
74.54027	0.5
78.56547	0.5
83.01395	1.2
98.20601	0.6
99.00896	0.8
100.39153	0.5
101.02418	0.6
107.98061	0.5
108.88599	0.5
109.02949	9.1
111.00866	1.1
119.05042	0.6
121.02983	0.7
123.04549	1.1
125.02429	3.9
133.02917	2.8
133.06586	0.7
135.04532	7.3
137.02438	1.0
145.02921	1.6
146.03703	1.9
147.04543	9.4
148.05307	6.2
149.02464	0.8
149.06084	21.1
150.06392	0.9
151.03995	0.6
159.04507	3.4
160.05237	1.1
161.02422	3.8
161.06090	8.4
162.03178	1.1
163.04016	4.0
163.07608	1.2
165.05559	1.1
172.05304	0.6
173.06036	3.5
174.03151	2.4
175.04004	11.9
176.04790	4.4
177.01910	2.1
177.05521	1.7
179.03517	1.1
185.04515	2.2
185.06039	0.5
187.04001	1.3
188.04773	0.9
189.05566	25.3
190.05905	1.3
191.03488	1.7
191.07126	8.0
193.05054	2.5
203.03534	0.6
203.07135	3.9
205.05005	3.5
207.06615	1.2
215.07193	0.6
217.05051	23.1
218.05370	1.1
219.02959	8.0
221.04564	4.6
224.56064	0.5
235.06096	10.4
236.06479	0.7
237.04031	8.0
247.06129	0.8
249.03978	0.6
251.09247	1.8
259.06122	0.8
277.07175	3.6
279.05148	8.3
295.08234	10.7
339.07181	100.0
340.07504	8.8
340.11548	0.7
370.90414	0.5
399.09393	0.6
501.12454	6.1
502.12280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.125
Annotation	Daphneside
Peak:m/z	Relative Intensity
51.22339	1.3
56.39581	1.2
59.01377	8.8
61.98832	18.7
69.03448	1.6
69.84040	1.6
71.01378	7.3
71.59835	2.1
72.99264	1.2
73.02959	2.3
74.88387	1.1
76.08274	1.2
83.01402	7.0
85.02960	2.0
87.00896	5.7
89.02447	2.5
93.03450	3.9
94.57713	1.3
96.96995	2.4
99.00885	41.0
101.02425	4.5
108.02193	2.6
109.02972	6.5
111.00877	3.0
113.02450	1.5
114.05735	1.2
115.00390	7.4
119.03428	1.6
119.05031	4.0
123.04556	1.3
125.02428	15.7
125.03548	4.5
127.00374	1.4
133.06596	20.6
135.04521	14.7
137.02426	1.7
141.01927	2.5
145.02965	1.9
145.06563	1.5
147.04509	4.4
148.05299	1.9
149.06100	6.7
159.03050	6.0
159.04233	1.9
161.02377	1.9
161.06061	3.3
163.03934	6.5
173.02484	1.6
173.06058	3.0
174.01654	4.3
174.03008	1.3
175.02448	10.0
175.03975	3.7
177.05550	6.3
179.03412	1.7
179.05585	1.8
185.04521	5.0
189.05653	6.0
191.03450	8.0
191.07111	5.5
194.08246	1.6
203.07295	1.3
205.05098	1.9
217.00285	2.9
217.05008	5.5
219.02982	66.9
220.03293	4.2
221.04607	10.4
221.06413	2.2
231.02998	1.6
233.08200	3.0
234.05275	1.9
235.06183	1.5
259.06244	1.5
261.04034	5.7
270.39963	1.3
279.05090	29.9
295.08191	2.9
336.63477	1.2
339.07211	23.6
353.08676	1.2
383.09875	10.6
384.10440	1.2
397.11652	1.4
416.22595	1.4
441.10358	8.8
441.15594	1.9
483.11237	4.4
501.12466	100.0
502.12866	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	501.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.0
58.00614	2.0
59.01378	76.6
60.07121	1.2
61.98837	2.0
68.99818	2.7
69.27850	11.1
69.28272	3.6
71.01381	11.3
72.99310	10.4
73.02955	4.4
79.05555	1.6
83.01400	3.2
83.05037	2.3
84.99344	2.0
85.02958	5.8
85.15408	1.6
87.00873	27.5
87.01363	2.4
89.02464	3.6
97.06608	2.9
99.00882	4.3
99.04539	1.5
101.02438	6.6
103.00371	16.7
104.37232	1.3
107.05022	1.9
107.89169	1.4
109.02950	6.6
111.00864	1.8
112.98810	34.9
113.02418	8.1
117.03479	4.0
119.03540	2.2
119.05018	6.6
121.02953	2.2
127.00332	7.8
130.99869	13.3
132.02086	2.3
133.02957	9.7
134.02699	2.4
134.03740	47.6
135.04526	100.0
136.04825	2.6
137.02391	6.9
139.00401	6.1
141.09274	2.4
143.03540	1.9
145.02959	5.6
147.04518	3.0
149.00919	3.9
149.02432	1.7
149.06084	10.9
151.04076	1.9
154.99858	1.5
158.96236	1.8
159.04529	2.8
160.01643	12.5
161.02441	26.5
162.03253	9.1
163.03981	17.0
173.02420	2.2
175.03978	13.8
176.04790	2.2
177.05605	9.0
178.02722	4.4
179.03496	73.2
180.03842	2.6
185.02295	1.7
190.02690	7.1
191.03500	7.3
191.07155	3.3
193.05063	27.1
202.02759	2.4
205.05066	7.6
207.06693	3.9
218.02357	1.7
219.02994	29.1
219.06522	2.5
221.04584	2.4
230.02200	3.9
231.02968	5.4
233.04532	33.3
234.04874	2.6
235.06053	2.8
237.05859	1.7
245.04532	5.1
275.01947	5.5
289.03586	5.0
293.03021	29.5
294.03323	2.0
307.04636	41.2
307.08060	2.7
308.04813	3.1
325.14606	2.3
339.07159	3.9
369.13290	3.9
369.22766	21.5
501.23535	3.2
501.30692	5.1
528.22961	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	501.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82573	1.7
59.01382	30.4
68.99807	6.2
69.44829	10.9
71.01385	4.2
72.99306	20.0
73.79533	1.6
76.88445	2.0
83.01402	1.9
84.99282	5.1
85.02955	2.8
87.00882	19.6
99.00891	2.0
101.02435	3.5
102.30954	1.7
103.00359	2.8
111.00883	2.1
112.98820	38.2
113.02474	2.0
117.03468	2.9
119.05040	3.0
121.02895	1.8
125.45752	1.7
127.00413	10.1
128.56516	2.0
132.02176	5.7
134.03748	58.6
135.04478	2.7
136.01675	3.4
137.02435	2.9
145.02899	2.0
147.04478	3.8
149.02492	1.9
149.06075	24.0
149.67531	1.7
150.03172	1.9
151.03986	3.3
153.73434	1.7
154.99820	1.6
159.04488	2.5
160.01659	24.7
161.02423	12.1
162.03229	22.0
163.03925	2.8
175.04005	34.9
176.04585	3.3
176.71231	1.8
177.05580	9.7
178.02708	8.6
185.02495	2.2
186.03210	1.9
190.02705	14.9
191.07123	6.0
193.05052	30.7
202.02731	8.5
203.03499	3.3
205.05058	16.9
218.02101	3.6
219.06566	2.8
223.06062	2.4
226.12556	1.7
230.02226	8.6
233.04558	88.9
234.04857	4.9
235.06149	5.5
245.04390	11.0
250.01288	2.0
263.05554	4.0
289.03531	14.1
307.04617	100.0
308.04901	4.8
354.07727	1.7
369.09735	4.8
369.22781	9.4
370.97925	1.8
501.23221	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	499.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29797	0.9
59.01381	100.0
61.98828	1.8
69.50854	7.5
71.01377	0.8
78.95906	1.0
98.19820	1.8
102.58871	0.8
125.38535	1.0
131.19128	0.9
180.06390	0.9
188.82788	1.0
199.13385	1.3
217.37848	0.9
241.39151	0.9
277.21570	4.5
291.23303	1.1
306.01978	0.9
319.22842	1.2
365.26926	11.6
366.27661	1.1
383.56204	0.9
477.98532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13884	0.4
59.01381	80.5
60.01701	0.6
61.98833	1.3
64.23728	0.4
69.28741	4.4
69.79411	0.5
72.99329	1.4
75.39037	0.5
90.97154	0.8
102.42153	0.4
125.29179	0.5
132.98201	1.7
157.03549	2.9
159.01486	1.8
174.99242	21.8
201.02553	32.7
202.02699	2.4
217.00299	100.0
218.00621	2.6
275.10568	0.5
292.96246	0.5
335.81433	0.5
343.03821	2.9
359.01471	56.0
360.01694	7.0
435.75656	0.5
451.92010	0.5
454.11093	0.5
522.64050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91501	1.0
57.03444	7.6
58.00594	1.4
59.01382	100.0
60.01713	1.4
61.98828	7.7
65.00325	2.6
68.99834	6.7
69.03480	2.3
71.01385	18.5
71.05020	2.2
72.99311	17.8
73.02950	13.6
75.00854	1.6
76.32559	1.0
83.01389	3.0
83.05029	3.1
84.99320	4.3
85.02950	11.0
87.00882	37.6
87.04517	3.2
89.01997	1.1
89.02447	6.8
91.01898	1.3
93.03471	3.2
95.01410	1.9
95.05040	2.1
96.96028	3.5
97.02922	1.2
97.06591	7.4
98.06911	0.9
98.20703	2.7
99.00865	1.4
99.04534	4.7
101.02438	8.4
103.00388	7.2
108.02190	2.4
109.02933	3.7
109.06580	1.2
111.00861	2.5
111.04539	1.7
111.08176	2.4
112.98819	43.7
113.02450	8.1
113.06081	2.5
115.07664	3.1
117.03474	9.4
119.03597	2.3
119.05030	61.2
120.05370	2.9
121.02966	11.3
121.06551	1.2
123.08156	2.0
124.75009	1.1
125.02464	2.1
125.09826	1.5
127.00415	7.4
129.03542	2.5
130.99878	4.0
131.03517	1.6
131.05080	1.5
133.02988	3.8
133.06624	1.9
134.03769	1.7
135.00879	1.2
135.04539	11.1
137.02460	2.5
137.09760	1.8
139.07669	7.9
141.09229	1.9
143.05003	4.4
145.02954	37.2
145.04109	2.1
146.03282	1.8
147.04524	24.8
149.00967	3.6
149.02438	23.4
149.04475	2.6
149.06059	3.0
151.04041	1.7
151.07701	2.2
152.01198	3.1
153.01953	4.8
153.09265	1.1
154.99873	2.3
157.08693	13.8
159.04471	1.4
161.02455	4.2
161.04556	3.3
161.06061	3.5
163.04031	20.5
163.11319	1.1
164.04808	14.8
165.01871	1.4
165.05647	1.2
167.03531	1.2
169.05043	1.5
171.10265	3.2
173.02446	1.7
175.00323	4.2
175.04004	22.5
176.04515	1.6
177.01926	8.8
177.05513	2.9
179.03505	4.6
179.07144	11.5
181.05064	1.9
183.13924	4.4
189.02020	1.7
189.05573	4.2
190.02715	14.8
191.03471	6.5
191.05309	1.3
192.04288	5.9
193.01385	2.8
193.04971	1.8
196.61125	1.0
201.01904	1.7
203.03500	64.3
204.03952	3.3
205.01424	4.1
205.05025	15.7
206.05658	1.9
207.06616	4.8
207.13878	1.1
208.03741	2.7
215.03497	11.1
216.04071	1.5
219.03008	2.4
220.03761	8.3
221.08205	2.9
223.06085	11.7
223.13271	2.2
232.03781	2.3
233.04514	4.5
235.02466	1.3
235.06096	5.8
248.03290	2.3
249.07607	1.6
251.11365	1.2
259.02509	8.3
260.03226	5.7
263.05600	35.4
264.05972	3.1
265.07184	1.3
265.17999	4.3
275.05530	1.8
277.03537	57.4
278.03964	4.0
280.02133	2.1
297.03995	2.5
297.07666	7.4
301.16455	4.8
317.19595	3.8
319.04602	5.1
325.14529	1.2
325.23880	1.5
337.05627	48.1
338.05807	2.4
351.21460	1.2
359.24405	9.8
369.22812	66.5
370.23102	4.5
397.22168	1.3
417.10449	1.5
424.08716	1.1
439.27087	3.4
457.28098	37.5
458.28265	4.2
483.33347	1.4
500.33310	2.9
501.27567	38.7
501.33878	1.3
502.27112	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	499.3066
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
52.83406	0.6
59.01370	2.7
61.53791	0.7
61.98822	0.8
68.63737	0.6
71.01389	1.8
71.62437	1.0
80.96478	0.7
121.86094	0.6
126.57632	0.7
201.89819	0.7
293.21286	1.9
457.27829	0.9
467.20715	1.6
469.29468	3.8
470.29984	0.9
499.30646	100.0
500.30994	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	499.2914
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
55.01880	1.0
56.46748	0.4
57.03436	1.4
58.00594	1.2
59.01382	49.9
59.97543	0.4
60.01722	0.6
61.98824	0.7
65.26845	0.4
69.03442	1.1
69.53445	1.9
69.53854	0.9
71.01384	32.0
72.01727	0.5
72.99298	2.3
73.02950	21.2
77.34878	0.5
81.03458	0.6
83.01385	7.0
85.02950	6.7
87.00893	2.2
89.02452	8.7
95.01393	1.6
95.87230	0.4
97.02954	0.9
99.00912	2.2
99.01450	0.4
101.02444	19.3
102.02788	0.5
113.02458	7.9
119.03525	2.5
124.01652	0.5
125.02430	1.4
129.72911	0.4
131.03485	1.3
135.04466	0.4
143.03508	1.0
161.04527	1.6
176.74335	0.4
189.12411	0.5
190.58589	0.4
223.17067	3.9
277.21716	13.2
278.22116	1.5
295.22769	7.7
296.23132	0.7
439.26971	13.5
440.27396	2.0
457.28079	31.6
458.28473	3.7
459.93054	0.4
481.27835	0.5
499.29114	100.0
500.29526	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	499.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24785	0.3
52.65216	0.3
59.01381	100.0
60.01709	0.6
61.98836	0.6
63.50906	0.3
68.21600	0.3
69.41287	2.6
71.01384	1.4
72.99301	0.4
73.02961	1.3
76.74823	0.3
81.47823	0.3
85.02503	0.3
85.02973	0.7
87.00891	0.7
89.02470	0.4
98.20658	0.7
99.04499	0.4
101.02460	0.9
103.00393	0.4
108.02155	0.5
111.04592	0.3
113.02468	0.7
121.02973	0.6
144.50471	0.3
145.03006	0.4
148.05315	1.5
151.07684	0.7
152.01183	1.1
161.04607	0.6
162.66425	0.3
163.04065	0.6
163.07672	1.4
235.06134	0.5
270.43887	0.3
311.15271	0.5
367.21304	0.8
499.14297	0.4
499.25531	0.5
499.32687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	66.2
61.98826	2.1
69.50459	6.6
69.50896	4.9
78.95895	10.5
81.45535	1.4
84.67297	1.4
96.96964	2.6
98.19869	2.5
99.41918	1.4
139.31497	1.5
152.99585	12.5
171.00618	2.1
209.12051	1.5
229.17450	1.5
245.04242	6.3
271.22778	100.0
272.23184	9.6
471.25720	1.6
499.26535	28.5
499.33401	2.2
500.27121	4.0
518.60071	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38729	0.5
59.01379	100.0
60.01711	1.1
68.35235	0.5
69.44350	4.3
70.01665	0.5
71.01396	4.2
72.99307	0.6
73.02966	0.7
83.27711	0.6
85.02969	1.9
89.02452	2.3
95.01398	1.0
101.02423	3.1
106.11582	0.6
110.03306	0.5
113.02454	4.9
119.03524	1.1
143.03473	0.9
158.85706	0.5
161.04558	2.3
271.22650	0.6
273.22351	0.6
277.21707	87.0
278.22073	7.2
291.23434	2.8
319.22684	1.5
349.60321	0.6
367.14517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63441	0.3
58.79740	0.3
59.01380	100.0
60.01719	1.4
70.74259	0.9
71.01370	2.8
72.99309	0.5
73.02947	2.0
83.01411	1.1
85.02981	0.7
87.00906	1.0
89.02462	1.2
99.00903	0.9
101.02457	2.5
105.54382	0.3
112.98854	0.7
113.02473	1.5
119.03488	0.4
119.05047	0.4
125.02472	0.4
125.32010	0.3
126.99582	2.8
127.99916	1.0
128.99271	2.4
135.04555	0.9
149.00964	0.4
149.04620	0.4
155.96466	0.4
161.04666	0.9
163.07681	0.4
166.09837	0.5
179.03519	0.5
443.82870	0.4
444.06137	0.3
499.29431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01382	100.0
60.01712	1.1
61.98830	0.4
65.58454	0.3
66.96155	0.4
69.31302	0.7
69.31699	3.1
71.01404	1.7
72.99336	0.4
73.39056	0.3
74.91561	0.3
78.59012	0.3
78.76134	0.3
83.05014	0.5
83.40127	0.3
85.02957	0.5
87.00876	0.7
89.02449	0.8
95.01380	0.3
97.06574	0.4
99.04503	0.8
101.02478	1.1
103.00394	0.6
105.68254	0.4
106.04249	0.3
108.02167	0.4
108.65579	0.3
111.04532	0.9
112.98827	0.8
113.02470	0.9
121.02955	1.7
122.03729	0.4
133.03009	0.6
134.03757	0.4
135.04536	0.9
137.02478	0.4
139.07660	0.3
141.17725	0.4
149.01004	0.6
161.02393	0.5
163.04102	0.5
177.01952	0.5
179.03551	0.7
194.29985	0.3
206.71352	0.4
211.13422	0.3
235.06145	0.7
367.21231	0.5
397.22488	0.5
455.34631	0.7
481.17102	1.6
481.31921	0.9
499.18442	0.5
499.25650	0.4
499.33746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31731	0.8
54.18635	0.8
54.36547	0.8
55.54013	0.7
57.03439	1.5
57.26939	0.7
59.01380	56.0
61.98838	1.0
63.72690	0.9
67.43056	0.8
69.03499	0.9
71.01381	10.3
72.99290	1.1
73.02927	1.5
73.23880	0.8
75.56203	0.7
83.01398	1.1
85.02958	2.8
87.00873	1.4
89.02448	4.3
93.03436	1.9
98.19826	1.7
99.00887	0.8
101.02456	3.9
108.02181	1.3
111.00866	0.8
111.04492	1.1
113.02453	3.6
117.03490	4.7
119.03540	1.8
119.05048	1.8
121.02951	1.6
123.04492	1.3
125.16627	0.9
132.02153	1.2
133.02942	7.7
134.03748	56.8
135.04581	6.5
136.01640	2.5
137.02432	5.6
139.04047	0.9
139.07668	0.8
147.04529	9.0
148.05269	6.1
149.00871	0.9
149.06085	10.5
151.03990	2.9
151.07698	1.4
153.05598	1.3
158.03731	4.5
159.04549	1.0
160.01651	13.1
161.02400	3.5
161.04643	1.0
162.06892	1.2
163.03975	2.8
163.07620	1.2
164.04741	2.0
165.16096	0.9
173.06126	4.6
174.03128	1.2
175.04005	21.4
176.04785	32.2
177.01971	6.8
177.05399	2.5
178.02707	6.7
179.03465	1.0
191.07127	41.0
192.04315	5.7
192.07437	2.3
193.05057	64.1
194.05429	1.9
207.06619	19.5
217.04944	1.2
220.03754	6.0
229.29750	1.1
235.06114	100.0
236.06502	5.0
265.07162	18.1
265.09851	1.6
266.07584	1.6
283.74374	0.9
295.08249	19.5
296.08386	1.3
323.13474	19.3
324.13083	1.3
355.10498	1.3
367.21201	2.7
383.40137	1.0
499.18246	61.6
499.32700	3.5
500.18195	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	499.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01381	69.1
69.03448	2.0
70.66722	1.4
71.01389	17.4
71.61316	1.3
72.99314	2.1
73.02953	6.8
74.31071	1.1
77.69375	1.3
83.01389	2.8
85.02962	5.8
87.00902	6.6
87.04548	1.4
89.01996	1.3
89.02428	7.6
91.48098	1.6
99.00887	4.4
101.02467	9.6
103.00394	2.5
112.98783	2.3
113.02439	11.2
116.07198	2.2
117.03490	3.2
119.03541	1.4
119.05067	3.3
121.02975	3.1
123.04494	1.3
123.52256	1.3
133.02942	7.4
134.03738	43.8
135.04570	7.2
137.02472	4.0
142.03293	1.4
143.03441	2.1
147.04541	7.1
148.05309	95.0
149.00932	1.6
149.06122	11.7
151.03981	2.2
151.07681	1.5
154.23286	1.6
158.03746	2.0
160.01657	14.2
161.02455	3.7
161.04587	6.4
163.04051	4.5
163.07651	100.0
164.04800	1.4
164.07997	5.8
173.06061	3.0
174.03229	1.3
175.04039	18.0
176.04793	20.5
177.01947	5.5
177.05330	1.4
178.02715	5.3
179.03473	2.5
191.05457	2.1
191.07161	32.3
192.04305	3.7
193.05057	51.0
194.05423	2.5
194.61412	1.3
207.06616	11.6
220.03783	5.3
235.06120	72.6
236.06512	4.3
255.54999	1.4
265.07172	13.7
277.08304	1.3
295.08179	15.0
323.13443	13.0
355.10419	1.5
367.21185	4.3
457.17245	15.8
458.18024	1.9
481.17050	2.5
481.31683	2.0
499.18274	67.8
499.25314	3.5
499.33524	7.9
500.18539	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	499.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	0.8
57.03450	13.1
59.01382	3.0
61.98838	0.7
69.50352	1.7
69.50780	1.4
69.55569	0.5
71.01392	1.3
72.22336	0.4
73.72672	0.4
86.94522	0.4
87.00899	0.5
93.03461	1.2
98.19846	0.7
99.04514	4.2
101.02442	4.7
109.02999	0.5
119.05044	0.7
121.02962	1.8
125.02452	2.6
127.15328	0.4
133.02892	1.0
134.03741	38.3
135.04167	1.3
137.02451	10.5
138.02690	0.5
139.04013	1.7
149.00833	0.8
149.06091	13.0
150.03265	0.9
150.06412	0.7
163.04089	0.6
178.02713	28.6
179.03221	1.5
193.05054	100.0
194.05396	5.3
203.03534	0.6
280.13242	0.6
305.13800	0.7
324.12222	0.8
337.09128	0.8
355.10358	9.4
356.10681	0.9
397.11325	3.9
422.81451	0.5
437.14453	0.7
499.14804	3.1
499.23322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	2.7
69.49941	9.1
69.50365	6.6
71.05022	2.4
72.30505	1.9
73.02929	6.4
83.91247	1.6
85.06561	3.5
85.23936	1.8
101.06068	8.0
111.04529	6.2
113.09732	6.6
123.08185	2.4
141.09222	100.0
142.09480	4.7
217.43376	1.8
366.29337	1.8
409.36938	28.2
453.35788	3.8
497.34821	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	498.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07934	1.7
71.61784	2.4
73.04076	14.7
74.02480	42.0
78.25085	1.8
87.05636	4.1
91.22393	1.7
101.76186	1.8
118.05093	6.5
126.09238	2.9
139.08833	1.9
141.10358	2.3
143.11909	26.8
152.07159	5.8
152.99567	1.8
169.09898	8.3
169.13432	4.6
187.10895	8.5
200.14052	42.9
201.14384	1.9
226.15576	2.5
226.21762	41.6
227.22095	2.0
234.57431	1.8
241.66263	1.8
266.21106	2.1
270.20703	4.9
283.23975	21.7
397.30759	5.9
397.90781	1.8
410.33740	3.8
454.32874	100.0
455.33057	14.3
498.28268	2.3
498.35556	44.5
499.36194	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01382	3.1
61.98830	2.5
69.78257	0.9
69.78671	2.0
71.01375	2.7
72.99297	1.5
75.00880	0.9
83.01381	5.2
85.02943	0.6
87.00874	1.5
88.98816	1.3
89.02449	2.4
96.96008	2.2
99.00887	5.3
101.02440	1.6
107.05070	0.8
108.02176	0.8
109.02960	11.4
113.02467	1.4
115.00370	3.8
119.05026	2.0
121.02982	1.1
121.06602	3.1
121.19809	0.5
123.04552	1.1
131.05051	0.7
133.02963	3.6
134.03780	0.8
135.04527	5.0
137.06046	0.7
145.02980	3.5
146.03609	0.7
146.08186	0.7
147.04521	5.6
148.05299	4.2
149.06084	100.0
150.03229	1.2
150.06418	5.5
151.04019	1.2
159.04509	1.6
161.02463	7.9
161.06091	2.9
163.04001	7.0
165.05563	5.5
166.05072	1.0
171.04480	0.6
173.04588	1.1
174.03293	1.3
175.02533	1.3
175.04007	15.7
175.07629	0.6
177.01949	9.9
177.05528	1.2
185.06114	0.9
187.04022	2.7
187.07654	1.0
188.04716	0.6
189.05606	2.7
190.02710	0.6
191.03506	2.3
191.07179	1.4
192.04294	1.0
193.05072	15.8
194.05467	1.3
203.03549	1.1
203.07144	1.2
205.05045	2.9
206.02220	1.6
209.04614	0.9
213.05470	0.9
215.03517	1.3
217.04953	0.7
219.02982	34.5
220.03369	1.8
229.04977	0.9
231.06561	1.9
232.03763	0.6
233.04556	9.4
237.04037	49.1
238.04370	3.0
247.06052	1.4
249.07582	0.9
255.05066	0.7
257.04419	0.8
263.05539	0.9
263.66904	0.6
275.05701	3.1
277.03543	9.5
278.03735	0.7
293.06671	5.7
295.08145	1.6
319.04541	11.3
337.05646	43.4
338.05841	4.1
372.91757	0.6
381.08304	7.8
399.09311	10.2
439.08835	4.2
439.18381	0.8
471.84082	0.6
481.09875	5.7
499.10629	6.9
499.19003	0.9
500.12628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71461	0.4
57.03448	22.8
58.03795	0.5
59.01383	3.3
61.98825	1.1
62.32905	0.4
69.03469	0.6
69.64845	2.9
71.01385	1.6
81.03432	0.7
83.01408	0.6
85.02953	1.6
89.02448	0.9
93.03455	0.5
94.50055	0.4
99.04521	15.1
101.02443	6.7
107.05049	0.5
111.00912	0.6
113.02439	0.5
113.04278	0.5
119.05029	1.6
121.02962	1.4
124.71420	0.4
125.02447	11.8
133.02965	1.2
133.18945	0.5
134.03746	39.1
135.04253	0.9
137.02432	6.5
139.04004	1.6
143.03537	0.5
149.00903	0.5
149.06085	15.0
150.03191	1.3
150.06351	0.8
156.60948	0.5
161.04762	0.5
163.03969	1.0
173.04764	0.4
178.02718	25.7
179.03264	1.3
193.05054	100.0
194.05382	5.7
199.56984	0.4
203.03725	0.5
203.08325	1.4
205.05072	0.8
229.24641	0.5
235.06129	1.7
337.09235	0.8
355.10410	2.2
397.11603	1.5
439.21866	1.5
471.08969	0.6
499.14886	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
58.00610	0.4
59.01379	100.0
60.01728	1.3
61.98830	0.8
71.01389	4.7
71.62807	0.4
72.99319	0.5
73.02950	1.7
78.95896	0.4
79.81447	0.3
83.01392	1.0
85.02934	2.3
87.00897	1.1
89.02448	1.6
101.02436	2.8
112.98801	1.5
113.02452	1.9
119.03524	0.6
119.05022	0.7
125.02500	0.9
133.02948	0.4
135.04520	1.3
137.05988	0.4
147.08281	0.4
149.00943	0.4
152.99603	0.5
161.02455	0.5
161.04576	1.4
161.05986	0.4
163.03976	0.6
171.10342	0.4
179.03505	0.8
201.11418	0.5
275.20145	0.4
293.21176	0.4
437.25647	0.8
455.26572	2.1
456.26862	0.5
479.30246	0.5
497.25818	1.6
497.32144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2759
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01875	1.2
57.03460	2.1
58.00576	1.0
59.01385	100.0
59.20804	1.1
60.01702	1.2
61.98830	5.6
68.39043	0.9
68.99824	1.1
69.76095	4.8
71.01387	29.0
72.99304	3.0
73.02954	10.1
75.00880	1.0
78.95914	19.2
83.01393	2.7
83.05003	1.8
85.02952	9.7
87.00890	5.1
89.02457	8.6
93.67175	1.0
95.01375	2.5
96.96981	2.0
97.02924	1.1
98.19871	1.8
99.00910	5.9
101.02457	19.2
103.00360	2.2
108.79664	0.9
109.02959	1.4
111.04453	1.4
112.98853	5.5
113.02447	11.0
117.03471	1.0
119.03483	4.3
119.04984	3.0
121.02911	1.2
133.02940	2.8
134.03668	1.2
135.03003	1.3
135.04547	6.6
137.09793	1.1
141.09192	1.6
143.03462	1.3
145.02956	0.9
147.04498	0.9
149.00940	2.3
149.49150	1.0
152.99594	28.5
161.02451	2.0
161.04536	5.6
163.04034	3.2
168.92209	0.9
171.00600	1.6
171.10342	1.2
178.02692	1.4
179.03506	3.7
179.05582	1.6
179.07072	1.3
183.55653	0.9
219.03061	1.4
275.20261	3.0
293.21390	1.2
335.22241	2.5
437.25592	2.6
453.32355	2.1
455.26462	4.3
497.27032	27.1
498.27490	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	497.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
55.37056	0.4
57.03443	1.6
58.00603	1.1
59.01381	100.0
60.01714	0.9
61.98843	1.0
69.03468	0.6
69.38236	3.9
71.01385	24.6
72.01748	0.5
72.99320	1.6
73.02952	10.1
75.00878	0.4
76.82920	0.5
83.01402	4.3
83.05035	1.3
85.02957	7.3
87.00876	3.0
89.02451	14.7
95.01402	1.5
97.02967	0.8
97.06632	0.7
99.00890	2.4
99.04523	0.5
101.02444	18.3
101.06129	0.6
102.02779	0.6
103.00398	0.8
110.52052	0.4
111.04522	2.6
112.98839	1.9
113.02453	10.3
115.04003	0.4
116.54292	0.4
117.72030	0.5
119.03511	6.9
119.05032	0.8
121.02940	0.5
122.03709	0.5
124.07484	0.4
125.02456	1.1
130.99872	0.6
131.03528	0.7
133.02945	0.7
134.03752	0.9
135.04587	2.7
137.09732	0.6
138.03236	0.5
143.03508	2.9
149.00972	0.9
149.04611	1.2
149.06029	0.4
151.07780	0.4
155.03470	0.4
159.03099	0.6
161.02505	0.6
161.04568	5.2
163.04036	1.2
167.07118	0.6
179.03546	1.4
179.05574	2.4
194.27663	0.5
201.11392	0.8
205.08510	0.4
209.11879	0.5
211.13461	1.1
231.17542	0.5
242.31607	0.5
273.22195	0.4
275.20313	1.2
301.50644	0.4
329.23578	0.8
335.22275	4.6
336.22922	0.6
365.19653	0.9
385.26077	0.6
437.25558	2.5
453.32953	3.2
454.33261	0.5
455.26544	6.6
456.27243	0.8
465.17889	1.0
479.30533	2.5
497.32092	6.0
498.31998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49075	1.2
59.01384	12.5
61.98814	1.6
71.01378	2.2
71.05019	6.1
78.95892	6.4
83.05035	1.2
89.02443	1.9
96.96980	1.5
99.00905	1.5
112.26989	1.3
121.25346	1.4
124.43463	1.3
151.07668	2.9
152.99567	10.7
171.00586	1.4
171.98322	2.2
197.19099	13.3
216.87831	1.2
223.20679	7.4
225.22234	20.6
245.04288	1.9
251.20126	2.5
269.21216	100.0
270.21518	5.5
435.34738	1.6
497.24188	21.1
497.30630	1.2
498.25491	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	497.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38318	0.4
52.25358	0.4
55.01887	0.6
57.03448	0.7
57.49286	0.4
58.00599	0.9
59.01383	43.8
60.01707	0.5
61.98550	0.4
61.98829	2.6
63.82231	0.4
69.03439	1.2
71.01388	26.4
71.62325	0.4
72.01705	0.5
72.92993	0.4
72.99313	1.8
73.02952	21.4
78.95921	0.6
81.03470	0.5
83.01399	7.0
85.02958	4.5
87.00884	2.5
89.02452	5.7
95.01380	1.4
99.00866	1.0
101.02447	18.6
111.08180	0.9
113.02457	5.6
119.03496	1.4
123.94160	0.4
125.02420	0.4
126.07394	0.4
129.33894	0.4
130.26173	0.4
131.03523	1.2
143.03510	1.2
149.04462	0.5
152.99518	0.8
161.04567	1.3
179.14415	1.1
186.64980	0.4
195.13878	1.1
205.15952	0.5
211.13379	1.7
223.13405	3.2
275.20175	8.0
276.20450	0.7
277.21582	1.2
293.21255	28.8
294.21591	2.6
437.25345	6.4
438.25790	0.8
455.26486	14.2
456.26901	2.0
497.27570	100.0
498.27884	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	497.2761
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01893	1.3
58.00582	2.1
59.01385	85.6
59.34842	0.8
61.98830	3.9
65.54743	0.9
69.03455	2.2
69.39996	4.3
69.40422	4.4
71.01387	59.2
72.01730	1.2
72.99319	3.4
73.02953	55.7
75.42729	1.0
78.41137	1.1
83.01395	20.0
85.02966	7.1
87.00867	3.1
89.02459	10.9
95.01398	1.7
97.02969	1.7
98.20628	1.7
99.00897	3.1
101.02454	44.9
107.05069	1.0
112.98797	1.8
113.02464	12.6
119.03498	3.6
122.36818	1.0
125.02460	2.4
131.03503	4.2
143.03474	3.0
149.04506	2.4
152.99640	1.7
155.03522	1.2
161.04582	7.8
211.13431	2.2
275.20187	32.7
276.20502	3.8
277.21838	1.2
293.21265	19.9
294.21509	2.0
437.25552	8.0
455.26483	19.5
456.26901	2.8
497.27588	100.0
498.27823	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	497.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
56.07167	1.7
57.03444	4.3
59.01097	3.7
59.01381	50.6
61.98827	5.7
68.82249	1.6
71.01383	59.0
71.38374	3.0
72.99294	3.7
73.02951	14.9
80.12981	1.5
83.01389	7.4
85.02953	16.9
87.00872	8.8
89.02458	27.9
95.01358	2.2
97.02963	3.6
99.00883	6.5
101.02443	29.0
111.00897	4.8
111.36504	2.0
113.02451	16.9
115.03969	2.2
119.03493	2.2
125.02460	6.1
128.07170	4.4
129.01846	1.7
131.03511	12.0
132.03746	1.9
135.04524	5.4
138.05623	9.9
143.03481	1.7
143.10896	2.1
145.02962	1.7
149.00919	2.6
149.04530	9.8
161.02441	4.5
161.04539	10.5
175.04004	2.6
179.03502	3.2
191.05606	2.9
233.06682	4.0
233.09140	2.1
244.09798	1.8
287.10400	5.4
293.08878	2.3
305.11386	4.8
305.16049	20.0
437.20288	100.0
438.20593	7.8
459.14551	3.1
497.16721	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	497.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.5
59.01382	69.6
61.98822	6.5
63.54040	2.2
70.20591	9.0
70.59389	2.1
71.01383	71.4
72.01692	2.7
72.99308	4.8
73.02950	16.6
83.01381	9.6
84.88075	2.5
85.02969	18.1
87.00879	10.2
89.02453	58.6
95.01393	4.7
97.02959	6.7
99.00874	6.9
101.02446	41.5
109.02954	2.4
111.00877	5.3
113.02444	18.1
115.67179	2.5
125.02423	10.5
128.07188	29.3
129.65213	2.4
131.03535	19.1
134.03822	2.5
135.04536	7.9
137.02470	3.7
143.03505	4.3
143.10794	4.1
145.02960	2.5
149.00906	6.1
149.04570	22.4
159.03018	3.4
161.02409	2.7
161.04509	8.9
163.04076	2.4
166.05080	3.7
175.04015	2.5
179.03490	6.0
191.05638	6.2
201.11308	6.2
210.03972	3.1
233.06624	5.7
275.09265	3.4
293.08832	10.8
305.15988	16.3
335.11487	3.2
357.14810	2.5
372.09201	5.1
384.39651	2.2
437.20276	100.0
438.20816	11.9
497.22769	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	497.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	27.3
59.31465	1.5
61.98825	6.2
69.52360	12.8
71.01379	12.7
72.99302	3.2
73.02939	3.9
80.05070	7.0
85.02961	3.2
87.00870	2.6
89.02431	9.3
94.06611	9.2
96.08246	2.5
97.01691	2.5
99.00867	2.1
101.02451	7.3
106.02994	2.7
106.06631	4.9
108.04553	4.6
109.05331	3.6
113.02462	6.5
119.05042	1.9
120.04558	14.4
121.05335	5.2
122.06129	28.1
123.04517	2.9
124.07688	34.2
128.07172	17.3
132.92749	2.0
134.06149	1.9
135.04562	8.7
136.04037	10.5
136.04884	1.6
137.02454	2.5
138.05591	3.7
138.97365	1.7
140.07158	3.9
148.04047	74.3
148.05232	3.9
148.07655	4.3
149.00916	3.1
149.04503	4.5
150.05612	25.4
152.03519	1.7
154.08727	1.9
160.01578	1.7
161.02420	4.2
161.04590	2.9
166.05092	17.0
166.86246	2.0
168.06656	10.2
170.31491	1.7
175.03981	3.1
178.34496	1.5
179.03426	5.2
187.12726	2.0
189.12732	2.0
192.02940	1.6
194.04573	3.5
197.07158	6.4
200.09451	8.7
201.11319	18.8
202.02614	2.0
202.11771	1.6
210.04083	7.9
211.08737	2.1
212.09467	11.4
213.06689	1.8
213.10300	5.5
215.11841	24.7
216.12080	2.5
225.06674	26.2
225.11346	4.3
226.07274	4.1
226.11124	6.8
227.11884	33.3
228.08884	2.1
228.12244	2.8
231.11337	7.4
239.08318	2.2
240.09019	30.9
241.09784	5.1
243.11316	17.5
255.11351	55.1
256.11740	4.0
272.11597	4.3
273.12433	85.1
274.12805	7.5
275.09872	1.8
287.10312	6.3
291.13531	12.0
293.12222	2.3
299.10364	20.0
316.10629	8.7
317.11392	100.0
318.11710	7.3
334.11761	4.0
335.12491	38.1
372.09500	8.3
437.15213	3.1
437.20657	3.4
479.16623	68.7
480.17105	9.4
497.17343	17.3
497.22537	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	497.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23681	0.6
57.03440	1.2
57.27636	0.6
59.01381	8.0
61.98830	10.6
69.03447	0.8
69.15829	0.6
71.01374	6.9
71.61039	1.0
72.99311	4.1
73.02943	2.5
75.00870	2.9
83.01393	0.7
85.01025	9.7
85.02950	5.3
87.00880	18.3
88.04031	0.9
89.02447	3.4
90.02767	0.7
91.00382	0.7
96.95986	0.8
99.00870	4.3
101.02445	5.2
105.01933	29.8
109.02962	0.9
113.02451	5.9
115.02077	1.6
115.33722	0.6
117.01970	1.0
119.03463	1.3
119.05043	1.0
120.04628	0.9
122.06127	1.0
124.07679	1.4
125.02434	0.8
127.02094	0.8
135.03023	1.5
135.04561	3.7
136.04044	0.9
143.05255	3.2
145.03145	1.7
147.02991	6.1
148.04018	2.6
149.00949	1.3
149.04520	0.9
150.05585	1.0
157.03168	1.5
161.04613	0.8
165.04039	66.2
166.02776	0.6
166.04416	2.4
169.03033	0.8
175.04028	0.9
177.05545	1.0
179.03535	1.2
187.04214	1.7
187.07805	1.8
189.05608	0.9
191.03525	0.9
199.39162	0.6
201.05595	1.6
205.05148	1.3
227.11824	0.8
231.11476	0.9
245.04526	3.0
255.11440	1.0
273.12527	2.4
275.10342	0.6
293.06790	3.1
317.11441	3.6
317.86719	0.7
333.11090	0.8
335.07953	0.9
335.12241	1.3
349.13104	8.7
350.13364	0.8
365.17285	0.7
437.15643	1.5
442.19135	0.8
479.16815	3.7
497.16910	100.0
498.17178	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	495.26
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
51.17044	0.5
51.80866	0.5
58.00587	0.5
59.01378	8.1
61.98818	1.2
67.65838	0.5
71.01390	3.4
75.68364	0.5
85.02956	1.1
89.02447	3.7
91.04780	0.5
95.01376	0.7
101.02442	1.2
112.98802	0.9
113.02440	3.9
119.03504	1.2
135.04529	1.2
161.02440	0.8
161.04536	1.0
179.03450	0.7
179.05611	1.2
191.86316	0.5
196.30878	0.5
214.52386	0.5
229.31503	0.8
271.20682	4.4
285.03543	1.0
289.21725	77.6
290.22095	6.9
303.23279	1.2
313.21756	0.8
315.19662	5.5
333.20703	100.0
334.21103	9.1
357.20633	1.0
375.21744	4.8
376.21973	0.6
495.19022	0.7
495.25824	6.8
495.32870	0.9
496.26678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04964	1.0
61.98843	1.3
71.10174	1.5
71.10495	1.9
78.95908	41.8
89.73609	1.1
96.96957	2.7
100.06658	1.2
111.04544	1.3
125.02509	1.0
125.06106	1.1
125.61569	1.2
152.99596	55.8
171.00641	17.1
183.13931	1.1
227.03278	2.9
228.95294	1.3
244.83005	1.2
245.04315	100.0
246.04636	2.5
267.23288	62.1
268.23694	7.2
282.67648	1.3
338.83124	1.3
344.43304	1.3
443.83020	1.2
495.27264	36.8
495.33554	1.7
496.27789	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	496.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.5
61.98831	100.0
62.03523	0.2
69.49812	1.6
71.01427	0.4
72.99317	0.6
75.00878	0.5
87.00881	0.4
89.02433	0.3
96.96030	0.4
119.05035	0.3
121.02937	0.4
122.03645	0.2
135.04558	1.0
137.02504	0.5
139.04018	4.1
146.06125	0.3
160.04076	0.4
160.67917	0.2
162.05562	0.3
176.07233	0.3
179.03474	0.3
184.06041	0.2
204.06717	0.7
220.06166	0.4
247.53772	0.2
272.17786	0.3
293.08871	0.4
327.13409	0.3
371.12692	0.6
389.13712	0.3
407.14890	0.5
428.87112	0.3
433.13327	1.4
479.17151	0.3
497.18161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36842	2.8
54.71657	2.9
59.01365	3.6
61.98833	100.0
70.83825	2.7
71.61381	3.7
71.61734	3.1
83.86207	3.1
93.74038	2.9
109.99791	3.1
145.02933	5.2
159.24619	2.7
198.68600	3.1
207.98648	2.6
256.08438	2.6
351.47012	2.9
362.52942	3.0
433.26035	5.7
497.29614	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	493.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36909	46.3
54.98865	48.7
71.24842	83.0
82.06627	71.5
96.95974	56.8
104.78188	52.3
112.65443	63.3
156.46893	51.1
274.66196	54.4
320.04758	71.2
457.36795	100.0
481.04764	64.3
489.54044	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	493.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81913	11.3
61.44077	11.1
61.98833	33.8
63.56297	10.8
70.68587	13.7
70.68919	26.2
83.05003	14.3
94.56036	11.8
133.05063	100.0
352.67773	11.6
443.35062	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	494.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61343	2.4
58.73963	2.1
59.01369	3.6
61.98825	6.2
71.62186	2.9
78.95902	54.3
84.80078	2.1
96.96967	7.3
106.42333	2.4
108.23070	2.1
152.98335	5.2
152.99582	100.0
171.00478	5.6
183.51917	2.3
197.89160	2.3
303.38766	2.7
431.21954	18.8
493.39008	17.5
494.39630	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	495.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55186	1.0
57.97491	1.0
59.01378	9.3
61.98829	4.1
69.44628	1.1
71.01389	13.1
71.16370	2.2
72.99329	1.7
73.02956	2.2
73.33784	1.1
75.00874	2.7
76.49459	1.3
78.73547	1.0
83.01409	1.6
85.02951	2.1
87.00884	2.6
89.02444	2.7
93.03472	3.6
100.08157	1.0
101.02435	3.3
101.34755	1.1
103.58997	1.1
106.04248	3.5
107.05044	19.6
108.02187	2.1
109.02944	2.2
111.00885	10.6
113.02450	2.2
117.03469	32.0
119.05006	2.2
119.44609	1.1
121.02940	3.7
124.94974	1.1
130.04237	1.7
131.05038	5.3
133.02933	1.4
133.06612	22.9
134.03767	6.8
134.06923	2.4
135.04503	4.4
137.02454	2.6
149.00873	2.1
149.06087	54.3
150.06471	2.7
158.03743	3.2
159.04518	42.0
160.01671	11.2
160.04848	1.4
161.04523	2.6
163.03934	1.1
163.13908	1.0
175.04022	13.4
177.05571	54.2
178.05884	2.8
179.03500	17.2
192.77847	1.0
193.05038	4.4
203.03506	100.0
204.03784	7.0
221.04567	30.6
222.04794	2.6
292.11960	3.1
363.10822	1.8
459.15146	14.8
460.15298	1.8
495.20294	1.5
495.31668	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	495.2602
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
57.03482	0.8
58.00626	1.5
59.00961	1.3
59.01381	42.3
60.01750	0.7
61.98865	1.1
69.03490	0.6
71.00202	0.8
71.01386	21.1
72.99356	1.5
73.02947	5.2
78.95953	0.6
83.01399	2.4
85.02955	4.9
87.00924	1.5
89.02445	18.1
90.02822	0.4
95.01373	1.7
97.02984	0.4
99.00927	0.5
101.02446	10.4
103.00410	0.4
106.32345	0.3
109.03025	0.4
112.98879	0.7
113.02449	11.9
119.03503	6.4
119.04266	0.4
121.03007	0.5
131.03578	0.9
135.04576	1.4
137.02480	0.3
143.03542	1.7
149.01024	0.3
149.04620	0.8
149.06120	0.6
151.07643	1.9
152.08482	2.2
152.99602	0.4
161.02502	0.9
161.04515	3.6
163.04131	0.5
179.03581	1.2
179.05664	6.7
179.07132	0.7
180.44064	0.3
194.05824	0.4
203.10818	1.0
209.08232	1.1
217.12343	0.9
218.13068	0.5
227.12924	0.4
243.21292	1.0
250.38820	0.4
271.20651	4.8
272.21143	0.6
273.18683	1.1
285.22241	0.5
287.09189	0.5
289.21725	67.6
290.22070	6.6
291.19647	1.1
303.23254	1.0
313.21777	0.7
315.19644	12.8
316.19934	1.2
331.23022	0.4
333.20703	100.0
334.21030	10.6
357.20697	1.5
375.21783	7.9
376.22015	0.8
417.22681	0.4
419.66974	0.4
435.23837	7.2
436.24203	0.9
453.24872	5.1
454.25345	0.7
495.25784	13.7
496.26547	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40739	0.5
57.03435	0.8
59.01379	100.0
60.01717	1.0
61.98842	1.3
65.83645	0.6
69.59823	2.3
69.60233	1.1
71.01378	11.3
72.99322	0.5
73.02960	2.3
75.00883	3.2
83.01373	0.9
85.02950	3.3
87.00902	1.3
89.02439	10.8
95.01369	1.0
97.84478	0.5
99.00877	1.0
101.02439	8.9
103.00346	1.0
110.99736	0.6
112.98856	0.7
113.02453	5.6
119.03492	5.7
119.04955	0.5
125.02442	0.7
130.61467	0.6
134.03671	0.6
135.04550	1.3
143.03545	1.6
150.03221	1.0
152.73549	0.6
159.10338	1.1
161.04565	4.7
163.04019	0.8
164.53506	0.5
165.05569	1.0
167.91890	0.5
178.59364	0.7
179.03441	0.8
179.05637	4.3
180.10350	0.5
229.61533	0.5
271.19257	1.6
321.15695	1.4
361.18835	3.8
363.20422	0.9
365.56982	0.6
373.22568	1.7
391.23422	2.7
433.24438	15.7
434.25113	1.5
448.80124	0.6
493.19110	2.4
493.30185	4.4
494.30679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3376
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
56.36811	1.0
59.01375	2.1
66.92039	0.9
71.40536	0.9
78.95898	1.4
93.07104	0.9
96.96016	1.7
104.11300	0.8
121.06595	50.8
122.06935	1.5
136.05296	2.1
136.88046	0.9
149.06084	94.8
150.06424	3.9
152.99515	1.5
162.06882	1.6
162.74254	0.9
165.05408	1.1
167.07162	2.0
175.07607	2.3
193.05052	30.1
194.05441	1.6
219.84290	1.0
231.47456	0.9
240.33485	0.8
257.03210	1.0
258.17618	0.9
285.69797	0.9
418.16687	1.0
432.32596	6.0
447.34793	2.1
491.33746	100.0
492.34055	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	492.2731
Annotation	Epoxycytochalasin H
Peak:m/z	Relative Intensity
53.31589	0.7
58.48771	0.8
59.01376	2.4
61.98811	1.5
63.09806	0.7
71.61750	1.2
78.95907	100.0
87.00896	0.8
90.29813	0.7
96.96970	9.1
133.90700	0.9
135.04555	1.3
149.00880	0.9
150.97961	1.0
152.99588	17.6
154.71837	0.7
171.00661	16.6
179.03505	1.2
214.04805	1.2
278.42538	0.7
295.22794	3.8
316.23904	0.8
320.70511	0.9
331.04727	0.8
359.01801	0.7
367.03897	1.0
418.23727	2.4
492.27335	69.1
493.27762	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	493.1141
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
59.01375	7.4
61.98836	1.1
63.02413	0.9
65.00321	1.8
68.71278	0.8
71.61888	1.1
78.95906	1.5
83.01403	1.4
87.00880	1.9
105.24541	0.7
107.01361	4.4
112.98800	1.7
121.02959	2.2
125.02412	1.4
131.25987	0.8
132.02184	1.3
133.02940	12.0
134.03783	0.9
135.04530	3.0
142.15497	0.7
149.02434	2.7
151.00388	10.1
153.89333	0.8
159.04482	1.2
161.02455	1.9
163.03885	1.1
171.10283	1.7
175.03989	3.5
177.19855	0.8
179.03450	0.9
183.04570	2.0
188.04944	0.8
198.03294	0.9
199.03983	3.2
201.01933	1.6
206.46783	0.8
211.03989	1.4
217.05048	2.4
227.03531	2.5
241.04999	1.5
255.02972	57.0
256.03729	36.2
257.04202	3.5
283.02481	77.4
283.99881	1.2
284.03232	95.0
285.04013	100.0
286.04306	7.8
288.11578	0.9
361.16547	1.3
475.10144	1.9
493.11459	12.2
493.32321	1.1
494.11594	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2292
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
51.81787	0.7
57.03448	2.3
58.00595	1.2
59.01380	34.4
61.98832	2.6
67.91277	0.7
68.91403	0.7
69.03459	1.1
71.01385	22.7
72.99306	2.5
73.02960	4.3
75.00868	1.3
83.01391	2.3
85.02958	6.2
87.00890	4.4
89.02444	15.8
95.01393	1.4
99.00908	1.2
100.05604	0.9
101.02446	20.0
103.00381	1.8
103.97816	0.6
109.02991	1.3
111.08148	3.8
112.61113	0.8
112.98812	3.0
113.02451	9.0
117.03459	1.3
119.03515	5.6
119.04997	1.4
121.02921	1.3
121.05076	10.4
124.01661	1.7
125.02454	1.0
127.70397	0.8
131.03517	1.2
135.04555	6.4
136.04863	1.4
143.03499	1.3
149.00983	0.9
150.03189	2.8
153.09109	0.8
155.10742	1.6
161.02446	5.7
161.04527	4.3
163.04091	1.6
165.05533	2.6
165.12852	25.1
166.13173	1.7
179.03520	4.7
179.05632	1.8
183.13898	49.4
184.14256	3.3
197.15465	7.6
199.09758	2.5
207.13994	0.8
209.11829	3.3
225.14941	1.5
227.12888	11.4
229.62297	0.7
230.05980	0.8
256.80423	0.7
265.09235	0.9
283.10352	23.6
283.97070	0.8
287.09241	2.8
288.09579	2.4
289.09854	2.5
313.07190	5.4
314.07806	1.3
331.08121	16.5
332.08652	1.6
361.26035	0.9
433.27985	3.1
451.28970	1.5
493.14322	3.1
493.22922	100.0
494.23370	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	491.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29747	0.1
53.63468	0.1
53.86412	0.1
55.01872	0.2
56.44292	0.1
57.03448	0.1
58.00607	0.2
59.01377	4.7
61.98833	0.2
63.06450	0.1
63.55890	0.1
69.67266	0.7
70.15038	0.1
71.01382	4.1
72.99299	0.3
73.02939	1.0
83.01382	0.5
85.02946	0.7
87.00875	0.7
89.02441	3.1
95.01395	0.3
96.95999	0.2
97.02959	0.2
99.00885	0.2
101.02442	3.8
101.03086	0.3
102.02757	0.2
103.04018	0.3
106.97606	0.1
113.02454	1.6
115.04020	0.1
119.03484	0.9
125.02468	0.2
133.05066	0.6
143.03493	0.4
148.86423	0.1
161.04529	1.3
179.05595	0.4
219.44780	0.1
235.08260	1.6
253.09286	12.7
254.09608	0.8
255.23282	100.0
256.23615	8.3
491.37399	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.329
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	7.3
69.96928	31.1
96.96014	24.1
98.20628	8.2
100.09209	5.6
159.54593	5.4
165.05582	22.6
285.11630	6.2
455.35303	100.0
456.35785	16.3
491.33636	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	491.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	21.1
69.40688	100.0
69.41100	25.3
76.14066	14.4
86.36099	12.9
96.96005	37.4
144.70061	12.8
165.05548	30.0
179.32956	14.2
185.50871	14.6
413.14505	13.5
455.35333	54.7
491.33707	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	491.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76862	7.7
59.01370	31.5
61.98831	13.4
65.99298	8.3
71.01397	8.0
71.62479	12.3
78.95906	23.2
96.95966	6.6
110.25631	7.1
116.44964	7.0
135.04530	9.9
149.00877	7.7
175.26630	7.1
179.03609	8.5
188.28485	7.3
275.20215	18.6
293.21268	100.0
491.26602	12.6
492.26709	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	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55787	0.3
56.67883	0.3
59.01379	100.0
60.01706	1.3
61.98829	1.3
69.44783	2.4
71.01388	1.8
73.02950	1.1
83.01408	0.4
85.02954	0.7
87.00883	0.5
89.02461	1.4
98.20728	0.3
101.02457	1.4
101.39525	0.3
113.02486	1.2
119.03531	0.4
135.04561	1.0
138.18156	0.3
141.43434	0.3
150.36838	0.3
161.04585	0.6
179.03548	0.3
209.15523	0.3
227.16580	0.7
232.75331	0.3
256.39685	0.3
259.76898	0.3
334.00116	0.3
371.20917	1.3
389.21768	2.5
429.48486	0.3
431.22528	2.2
432.22720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84502	0.3
55.83508	0.3
59.01381	100.0
60.01724	1.1
62.90095	0.3
65.36264	0.3
69.61245	1.8
71.01366	1.9
73.02949	0.9
85.02971	0.3
89.02435	1.5
101.02451	1.0
105.95251	0.3
113.02480	0.9
119.03617	0.3
119.05025	0.6
135.04544	1.3
149.06091	0.4
151.00414	0.8
161.04588	0.8
173.76839	0.3
180.11584	0.3
203.03531	0.6
227.16539	0.6
274.27029	0.3
287.05710	0.8
308.56360	0.3
371.20786	2.0
389.22015	1.9
431.22644	1.7
472.24805	0.3
488.50012	0.3
491.12027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
58.00585	0.6
59.01380	19.5
63.83820	0.3
64.30869	0.2
69.03439	0.4
69.29487	0.5
69.29887	2.1
71.01374	0.6
72.99302	1.0
73.02950	0.3
77.23669	0.2
83.48135	0.2
87.00876	12.4
93.87726	0.2
101.02408	0.3
103.00382	6.6
104.00680	0.3
112.98804	0.8
130.99866	2.8
135.04538	0.4
149.00928	0.6
168.19351	0.2
227.16519	0.9
287.22220	0.7
295.22946	0.3
311.25977	0.7
313.23825	3.7
314.24112	0.4
323.26172	0.4
341.26938	1.1
359.28021	100.0
360.28381	10.2
449.27832	0.7
491.28671	8.2
492.28897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93521	0.3
52.28234	0.2
57.03436	1.2
58.00593	0.6
59.01381	18.6
61.98839	0.3
66.58822	0.2
69.29649	2.2
71.01373	1.1
72.99299	1.1
78.45612	0.3
80.67802	0.2
85.02956	0.3
86.75329	0.2
87.00875	11.9
89.92242	0.2
101.02444	0.6
103.00376	5.5
108.02196	0.3
112.98801	1.4
113.02432	0.5
119.05093	0.3
121.02938	0.4
130.99860	3.1
135.04480	0.9
149.00923	0.7
163.03986	0.3
183.17429	0.3
184.99640	0.3
211.13428	0.4
227.16461	0.7
287.22076	0.3
311.25806	0.4
313.23831	4.4
314.23917	0.4
325.23602	0.3
341.26904	1.0
359.28012	100.0
360.28369	10.8
360.32965	0.3
385.58078	0.3
491.28610	8.2
492.28946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76389	0.5
57.03446	0.8
59.01379	100.0
60.01726	1.1
61.98838	1.9
69.31639	2.0
69.32051	3.4
71.01385	9.9
72.99303	1.7
73.02943	7.2
78.95937	0.6
83.01398	2.0
85.02960	2.5
87.00890	4.5
87.32095	0.5
89.02444	7.2
91.01910	5.8
95.01388	0.7
97.06659	0.7
99.00883	1.4
99.04525	0.6
101.02449	8.1
101.55589	0.5
103.00386	2.4
109.02968	3.5
112.98813	1.3
113.02449	4.8
119.03537	3.3
119.05013	3.5
119.60889	0.8
120.01228	0.9
121.02965	1.7
122.03739	0.9
123.00900	1.7
123.04539	3.5
125.02473	0.9
131.03528	0.9
133.02954	4.1
134.03748	1.3
135.00876	9.4
135.01790	0.9
135.04523	11.6
137.02477	1.1
138.05640	2.1
143.03571	0.8
147.04547	1.3
148.04909	0.7
149.00958	3.5
149.02457	2.0
149.04593	0.8
150.03238	5.4
151.04007	6.3
153.01952	5.6
153.05615	0.8
153.09258	1.0
161.02396	1.0
161.04503	3.2
163.00371	8.1
163.01637	0.7
163.04066	2.7
165.05592	1.5
179.03474	4.1
179.05664	1.4
181.12320	0.6
195.06816	0.7
197.04535	0.9
197.06262	0.7
197.08147	0.7
201.05753	0.6
205.92796	0.6
207.13957	0.9
225.05521	1.2
225.15050	1.0
227.03561	0.7
238.60139	0.6
241.05069	1.0
243.16023	1.2
251.03528	0.9
252.07977	1.4
259.06149	1.0
269.04535	17.7
270.04987	1.3
271.09576	0.9
287.05692	4.6
293.03061	0.7
305.11438	0.7
311.09338	1.1
315.08493	0.6
348.09436	0.6
352.33401	0.6
355.10437	0.9
359.07544	1.1
359.11575	3.0
371.21048	1.2
387.20151	2.9
389.21841	0.7
405.21426	2.4
431.22760	6.1
432.23553	1.1
447.22327	5.2
449.23752	0.8
491.12125	3.5
491.17587	0.8
491.19510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.9
59.01379	100.0
60.01689	2.0
61.98827	14.3
71.01382	20.6
72.99306	4.7
73.02953	12.6
83.01383	3.5
85.02934	6.8
87.00872	11.8
88.98807	7.4
89.02441	15.4
93.03463	2.6
101.02438	16.3
103.00355	4.8
109.02932	5.5
112.98854	2.6
113.02453	8.5
117.03510	1.5
119.03486	4.0
119.05026	7.5
123.04546	2.2
133.02968	3.5
134.03703	6.5
135.00932	1.7
135.04527	41.0
137.02411	3.9
145.02907	2.6
147.04510	4.1
149.00916	18.8
149.09665	5.1
150.03221	2.7
151.03983	3.0
153.09233	10.9
161.02362	4.5
161.04549	6.2
161.05951	1.6
163.03978	4.4
165.05598	2.0
167.10789	9.5
177.01874	1.9
179.03523	11.5
179.05540	4.0
181.08687	3.1
193.05038	3.6
197.04523	3.0
197.08209	12.4
204.24971	1.8
225.14752	1.6
237.09230	1.5
242.63110	1.5
243.16037	2.7
269.04532	6.3
271.09509	3.5
282.58423	1.8
287.05670	1.8
291.06931	2.0
293.02878	2.1
307.86932	1.5
315.08813	7.9
329.05109	2.8
331.81754	1.6
359.07663	6.4
359.13303	5.5
387.20184	3.6
431.22968	11.4
447.22449	3.4
491.15234	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	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30167	1.5
57.03444	1.7
58.00585	1.7
59.01381	100.0
61.98839	7.9
69.37659	1.8
69.87889	6.8
69.88316	3.2
71.01389	21.0
72.53912	1.7
72.99316	3.4
73.02942	10.7
73.38921	1.7
83.01402	3.8
85.02946	8.6
87.00874	11.7
88.98814	5.2
89.02447	16.0
93.03472	3.3
97.02941	1.6
99.04510	1.9
101.02440	14.7
102.43025	1.8
103.00372	3.6
108.02203	3.0
109.02943	11.1
112.98861	2.0
113.02443	14.0
119.03507	6.8
119.05041	6.5
123.04524	5.1
131.03499	1.7
133.02950	3.2
134.03758	4.8
135.00917	3.8
135.04523	25.0
137.02425	4.0
138.01973	7.4
141.09209	3.3
143.03526	2.6
145.02936	5.4
146.03484	1.7
147.04549	4.1
149.00888	12.3
149.06033	9.7
150.03163	2.5
151.03996	2.5
153.01952	2.9
153.09178	3.9
160.04057	2.4
161.02463	2.9
161.04524	11.4
161.06006	3.3
163.00404	2.1
163.04001	7.4
165.05560	2.6
179.03519	7.5
179.05611	5.0
193.05043	3.9
194.05705	3.6
209.08188	4.1
220.68738	2.1
243.16077	2.8
253.08882	2.1
269.04498	5.8
271.09796	10.6
287.05618	2.0
315.08585	8.9
359.07614	5.5
359.11404	3.3
387.20224	9.9
405.21191	4.7
431.22797	18.3
491.17471	4.8
492.16782	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	491.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31644	1.5
57.03454	2.8
59.01381	100.0
61.98833	4.9
68.89304	1.3
71.01379	22.6
71.61924	1.7
72.99300	5.5
73.02947	9.0
78.38473	1.4
83.01404	3.1
85.02960	6.4
86.26807	1.3
87.00881	26.1
88.00392	3.9
88.98811	2.6
89.02446	12.1
89.47397	1.4
91.01945	1.7
91.88445	1.3
93.03442	3.4
95.01433	2.1
99.00866	2.1
101.02442	16.0
103.00364	4.6
107.04987	1.4
107.98011	1.6
108.02192	1.7
109.02940	7.2
112.98811	1.4
113.02453	8.0
119.03552	2.5
119.05030	11.4
120.01319	1.6
120.05366	3.2
121.02931	3.0
123.00877	1.5
123.04525	5.7
125.02427	1.8
130.99867	3.0
133.02953	2.2
134.03763	4.4
135.00870	1.9
135.04538	32.1
136.04884	2.6
137.02444	3.6
143.03537	2.2
147.04527	3.4
149.00922	23.0
149.06082	3.5
149.09724	3.1
151.04030	3.8
153.09206	4.6
159.04507	2.3
161.02451	2.1
161.04564	11.7
161.05962	2.3
163.04022	5.8
164.04295	2.0
165.05612	1.7
167.03519	4.5
167.10783	5.0
177.01805	1.6
179.03526	9.7
179.05641	3.2
193.05060	4.8
197.04501	2.3
197.08250	3.4
207.13858	2.8
209.04488	4.6
211.07632	5.7
212.07932	2.7
212.52814	1.5
213.08316	1.7
225.15047	1.6
225.68529	1.4
243.16022	1.7
269.04379	2.8
269.06836	1.9
269.17542	2.2
271.09821	4.0
293.03070	1.9
315.08679	6.5
359.07535	6.9
359.11600	2.7
363.16843	1.7
387.20279	2.8
431.22827	9.9
452.17715	1.9
452.25394	1.4
485.59567	1.4
491.14301	9.6
492.15399	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75882	1.5
55.01883	3.7
57.03442	1.9
58.00588	4.3
59.01379	100.0
61.11766	1.6
61.98833	6.0
69.03452	5.0
69.31969	14.6
71.01383	82.7
72.99314	11.7
73.02952	9.8
81.03465	3.1
83.01403	5.1
85.02954	10.9
87.00880	27.4
88.98822	2.4
89.02444	97.0
93.03473	4.3
95.01394	2.3
97.02967	7.7
99.00881	1.5
101.02448	22.6
103.00343	4.5
105.60674	1.4
107.05029	1.8
108.61273	1.7
109.02965	10.1
111.00874	7.0
112.98829	2.9
113.02459	17.3
118.32150	1.6
119.03504	7.2
119.04994	3.5
121.02950	15.1
123.04529	6.4
125.02438	24.4
130.99883	2.2
131.03508	25.4
133.02966	2.1
134.03751	5.8
135.04526	54.2
136.01662	2.7
136.04892	3.3
137.02501	3.1
143.03519	3.5
147.04489	2.8
149.00916	26.0
149.02435	7.8
149.04552	32.3
149.06012	5.6
150.03200	2.3
151.03972	4.9
153.05611	1.7
153.09180	2.7
159.04474	1.5
161.02434	3.4
161.04585	3.4
161.06009	1.9
163.00266	1.8
163.04013	12.4
164.04790	90.4
165.05310	4.8
167.03473	2.6
178.02812	1.9
178.06355	1.7
179.03543	13.1
179.07126	61.0
180.07487	4.1
182.51826	1.6
188.75056	1.5
191.03494	1.3
191.04025	1.7
191.05580	10.0
193.05055	4.8
195.06728	2.3
197.04480	2.4
197.08214	3.4
207.01704	1.5
219.02945	2.1
227.10698	2.1
233.06686	4.6
250.77089	1.5
253.08820	2.4
268.14636	1.5
271.09705	6.1
293.03348	3.1
293.08835	21.3
311.09134	1.6
315.08710	5.9
315.14145	1.9
329.05225	4.3
359.07660	12.4
359.11710	2.5
431.23090	8.9
473.16653	7.3
491.13602	2.4
491.16885	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57164	0.5
57.03463	0.5
58.00595	1.3
59.01382	100.0
60.01714	3.1
61.01807	1.7
61.98843	1.2
71.01390	6.8
71.60941	0.5
72.99313	1.8
73.02956	2.7
75.00891	0.5
80.96554	0.5
83.01418	0.9
85.02961	1.8
87.00882	5.9
89.02438	2.7
89.89099	0.4
91.01897	3.1
93.03479	1.4
95.01427	0.8
99.00889	1.1
101.02444	4.3
103.00381	1.1
105.01974	0.9
105.03452	0.5
107.05047	1.9
107.36880	0.5
108.02183	1.3
109.02958	5.9
111.00880	0.7
113.02457	2.5
113.57850	0.5
115.00381	0.8
116.92832	0.7
117.03520	0.5
119.03546	1.0
119.05035	2.7
121.03005	0.8
122.06142	0.6
123.00900	1.3
123.04550	2.8
124.07716	0.9
125.02457	0.9
130.99925	0.7
133.02977	1.8
134.03743	3.5
135.00905	6.3
135.03419	0.8
135.04530	20.7
135.65103	0.4
136.04886	0.6
137.02432	1.3
143.03502	0.6
146.06136	2.7
147.04512	1.5
147.06914	0.7
148.05226	0.8
148.07719	0.8
149.00914	9.8
149.02415	1.3
149.06059	3.0
150.03232	2.6
150.05618	0.7
151.04021	3.5
152.07216	0.5
153.01912	3.2
158.06157	0.7
161.02454	1.1
161.04587	2.1
161.06046	0.6
163.00369	3.6
163.04027	1.7
165.02025	0.8
165.05608	2.0
166.05104	0.7
167.03503	0.6
167.05948	0.7
174.05603	1.8
175.02538	0.8
175.06390	0.8
178.02736	0.5
179.03510	8.0
179.05754	1.3
180.03928	0.5
188.07225	0.6
189.07893	0.5
191.05794	0.6
193.05052	3.5
195.06616	0.6
199.06395	0.5
203.05885	0.8
204.06706	1.2
207.05402	1.1
207.13943	0.6
214.08551	0.5
221.06926	0.7
225.05653	0.8
237.06505	0.8
241.05043	0.7
241.09901	0.5
251.03523	1.0
259.06082	1.1
267.11292	0.6
269.04587	10.1
269.13034	0.6
270.05072	0.8
271.09775	4.5
271.14560	2.1
283.14578	0.8
286.04715	0.6
287.05811	2.6
293.03119	0.7
297.12561	0.7
299.13943	2.8
311.09982	0.5
313.15643	1.0
315.08743	8.9
315.12436	0.6
316.09012	0.9
325.11630	0.6
327.13544	0.9
329.15015	2.2
343.13043	4.1
344.13367	0.6
353.11343	0.6
357.14685	1.4
359.07581	3.4
359.11441	5.3
371.12479	5.0
371.20602	0.7
373.14063	3.4
389.13715	0.7
389.21750	0.7
415.11560	0.9
427.26108	0.7
429.16516	0.6
431.22675	4.7
447.14041	1.5
473.16220	0.7
491.16824	30.5
492.17215	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	491.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01381	8.2
65.03973	0.7
67.01878	0.3
70.12378	1.1
71.01395	1.2
72.99303	0.3
73.02950	0.5
75.00890	0.3
85.02949	0.5
87.00886	1.6
91.05530	4.0
93.03464	1.1
95.01359	0.3
98.20674	0.3
99.00855	0.3
101.02461	0.6
103.00372	0.8
108.02189	0.5
109.02953	13.1
110.03301	0.7
112.98805	0.9
113.02435	0.4
119.05017	0.4
121.02956	11.0
122.03285	0.3
123.00882	1.1
124.01693	1.6
130.99887	0.5
133.02965	0.5
135.04523	45.6
136.01659	1.6
136.04878	1.9
137.02452	0.4
138.03207	0.7
139.04024	1.6
142.99828	0.4
147.04529	1.5
148.77382	0.3
149.00912	0.6
149.02454	1.4
149.06052	0.5
150.03221	20.2
151.03630	0.8
162.03215	0.9
163.04018	3.3
164.04361	0.3
165.05563	12.3
166.05884	0.5
174.01697	0.4
175.03954	0.3
177.05569	1.4
179.03537	0.5
183.14041	0.4
202.06384	0.6
215.07005	0.3
227.07130	0.3
254.05759	0.7
255.06607	1.6
257.04553	2.7
269.08224	0.3
270.05423	0.7
271.06155	1.3
272.03995	0.6
272.06891	11.1
273.07217	0.9
285.07578	0.3
286.08478	0.4
287.09235	100.0
288.09558	7.5
359.23965	0.5
359.28070	6.2
360.28555	0.4
431.13339	0.9
449.14227	0.3
491.15622	6.7
491.27417	1.5
492.16330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92119	0.6
59.01376	3.2
62.15667	0.6
69.52184	5.0
69.52592	1.1
71.01390	4.8
73.02956	4.6
75.00870	1.4
79.03178	0.6
80.17535	0.7
87.00887	2.1
89.02448	24.0
100.75349	0.7
103.04011	2.0
131.03537	5.8
135.04520	2.9
149.04558	100.0
150.04903	2.1
177.05598	1.2
282.56790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57164	0.5
57.03463	0.5
58.00595	1.3
59.01382	100.0
60.01714	3.1
61.01807	1.7
61.98843	1.2
71.01390	6.8
71.60941	0.5
72.99313	1.8
73.02956	2.7
75.00891	0.5
80.96554	0.5
83.01418	0.9
85.02961	1.8
87.00882	5.9
89.02438	2.7
89.89099	0.4
91.01897	3.1
93.03479	1.4
95.01427	0.8
99.00889	1.1
101.02444	4.3
103.00381	1.1
105.01974	0.9
105.03452	0.5
107.05047	1.9
107.36880	0.5
108.02183	1.3
109.02958	5.9
111.00880	0.7
113.02457	2.5
113.57850	0.5
115.00381	0.8
116.92832	0.7
117.03520	0.5
119.03546	1.0
119.05035	2.7
121.03005	0.8
122.06142	0.6
123.00900	1.3
123.04550	2.8
124.07716	0.9
125.02457	0.9
130.99925	0.7
133.02977	1.8
134.03743	3.5
135.00905	6.3
135.03419	0.8
135.04530	20.7
135.65103	0.4
136.04886	0.6
137.02432	1.3
143.03502	0.6
146.06136	2.7
147.04512	1.5
147.06914	0.7
148.05226	0.8
148.07719	0.8
149.00914	9.8
149.02415	1.3
149.06059	3.0
150.03232	2.6
150.05618	0.7
151.04021	3.5
152.07216	0.5
153.01912	3.2
158.06157	0.7
161.02454	1.1
161.04587	2.1
161.06046	0.6
163.00369	3.6
163.04027	1.7
165.02025	0.8
165.05608	2.0
166.05104	0.7
167.03503	0.6
167.05948	0.7
174.05603	1.8
175.02538	0.8
175.06390	0.8
178.02736	0.5
179.03510	8.0
179.05754	1.3
180.03928	0.5
188.07225	0.6
189.07893	0.5
191.05794	0.6
193.05052	3.5
195.06616	0.6
199.06395	0.5
203.05885	0.8
204.06706	1.2
207.05402	1.1
207.13943	0.6
214.08551	0.5
221.06926	0.7
225.05653	0.8
237.06505	0.8
241.05043	0.7
241.09901	0.5
251.03523	1.0
259.06082	1.1
267.11292	0.6
269.04587	10.1
269.13034	0.6
270.05072	0.8
271.09775	4.5
271.14560	2.1
283.14578	0.8
286.04715	0.6
287.05811	2.6
293.03119	0.7
297.12561	0.7
299.13943	2.8
311.09982	0.5
313.15643	1.0
315.08743	8.9
315.12436	0.6
316.09012	0.9
325.11630	0.6
327.13544	0.9
329.15015	2.2
343.13043	4.1
344.13367	0.6
353.11343	0.6
357.14685	1.4
359.07581	3.4
359.11441	5.3
371.12479	5.0
371.20602	0.7
373.14063	3.4
389.13715	0.7
389.21750	0.7
415.11560	0.9
427.26108	0.7
429.16516	0.6
431.22675	4.7
447.14041	1.5
473.16220	0.7
491.16824	30.5
492.17215	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	491.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
58.00568	0.8
59.01094	1.6
59.01381	27.3
61.98816	1.9
68.88969	0.7
68.99812	2.5
69.03441	1.1
69.87695	2.8
69.88097	1.5
71.01388	4.7
72.31376	0.7
72.99309	5.6
73.02948	1.3
77.51549	0.7
84.99314	8.6
85.02948	2.4
87.00880	8.9
89.02442	1.4
89.03950	2.1
93.03465	1.2
101.02445	2.9
103.00369	3.1
108.02210	0.8
109.02961	1.7
111.08170	0.9
112.98814	100.0
113.02467	2.5
113.99133	1.8
116.92863	1.3
117.03468	5.4
119.05055	1.8
125.02406	1.2
127.00368	2.6
130.99872	1.6
131.03468	0.9
132.02150	1.2
132.03024	4.7
133.02986	1.5
134.03743	72.9
135.04622	6.2
136.01723	0.8
137.02466	2.8
137.06059	1.1
138.21907	0.8
139.11281	1.1
145.02928	1.3
149.00935	3.2
149.06084	13.3
151.04008	1.3
152.01103	0.9
154.99854	0.9
155.07114	1.2
159.04442	1.0
160.01656	5.4
161.02477	4.8
161.04596	0.8
162.03233	4.1
163.03995	2.9
165.12906	1.8
166.43465	0.8
175.04001	10.2
176.04721	1.6
177.05553	1.7
178.02715	8.6
179.03491	3.0
183.10287	5.0
183.13902	1.2
190.02704	3.5
191.07085	1.7
193.05054	69.8
194.05426	3.2
197.11816	1.9
202.02737	2.0
203.03357	0.9
205.05070	3.1
207.06726	1.0
211.13377	0.9
217.05077	0.8
218.02235	1.4
219.02968	1.3
219.06648	1.7
225.11363	3.0
230.02228	1.9
233.04543	22.3
234.05052	0.9
235.06136	1.0
245.04597	2.0
247.45979	0.8
250.01352	0.9
263.05630	1.7
268.72910	0.7
287.09213	1.3
287.22296	3.7
289.03549	2.6
293.03043	0.7
305.64349	0.7
307.04578	33.0
308.04898	1.8
359.15063	1.0
359.28104	5.5
436.30215	0.9
449.27588	2.9
491.28406	9.2
492.18402	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	491.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
64.11003	0.3
65.03965	0.9
69.03436	0.4
71.01382	1.0
71.39783	0.3
71.40101	0.3
73.02964	0.6
83.01427	0.3
83.19207	0.3
85.02950	0.5
87.00893	1.3
91.05530	4.4
93.03456	1.0
95.01383	0.3
101.02468	0.5
103.00359	0.3
109.02956	12.1
110.03326	0.4
112.64255	0.3
112.98807	1.5
113.02486	0.5
121.02959	12.2
122.03299	0.4
123.00879	1.3
123.04526	0.4
124.01667	1.3
125.02442	0.4
130.99892	0.3
135.04527	48.5
136.01665	1.6
136.04822	1.8
137.02406	0.7
138.03242	0.9
139.03981	1.5
147.04491	1.7
149.00914	0.4
149.02448	1.8
149.06100	0.8
150.03223	18.8
151.03749	1.0
153.09193	1.7
159.76367	0.3
161.02435	0.7
162.03267	1.3
163.04007	3.1
165.05563	12.0
166.05894	0.6
177.05550	1.4
179.03476	0.7
188.04890	0.3
189.05568	0.4
197.08185	2.1
202.06407	0.8
208.00415	0.3
213.05591	0.4
214.48738	0.3
219.03029	0.6
254.05861	0.7
255.06615	1.2
257.04495	2.2
258.04816	0.4
271.06174	1.8
272.06885	12.4
273.07315	0.8
287.09241	100.0
287.22314	1.4
288.09555	8.4
329.08777	2.1
406.38025	0.3
431.13995	0.4
431.26468	0.9
449.27457	2.0
491.15707	6.0
491.28369	5.2
492.15955	1.0
492.29056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03442	1.2
58.00571	1.1
59.01379	100.0
60.01720	1.9
60.99304	6.2
61.98831	22.9
69.63145	0.9
70.93427	1.6
70.93754	1.3
71.01380	20.9
72.99311	4.4
73.02950	7.0
75.00873	2.3
83.01389	4.3
85.02955	7.3
86.06492	0.9
87.00879	18.8
88.98805	40.0
89.02444	17.9
91.01880	1.3
93.03421	1.4
95.05056	1.1
97.02940	1.3
99.00893	1.5
101.02444	14.1
103.00361	5.6
105.01941	3.1
107.05037	1.9
107.82593	1.0
109.02949	6.5
109.06626	1.2
111.00917	1.2
112.98781	4.9
113.02455	10.3
119.03487	3.5
119.05018	5.4
120.01201	1.5
121.02962	1.3
123.04523	4.2
125.02488	1.4
130.99828	2.8
133.02924	2.3
133.10205	1.2
134.03725	7.8
135.00893	2.2
135.04529	66.8
135.08153	2.5
136.04855	2.6
137.02446	6.5
143.03525	1.5
145.02957	2.7
147.04533	3.6
148.04953	1.9
149.00926	14.4
149.02246	1.3
149.06094	3.3
150.03253	2.2
151.03975	3.3
151.06003	1.0
153.01990	2.0
153.05614	5.6
153.09201	26.4
154.09573	1.5
160.01674	4.2
160.03976	1.1
161.02490	7.5
161.04550	9.1
161.05920	2.0
163.00294	1.2
163.04033	5.5
165.05553	3.0
167.03493	1.1
175.03918	5.1
176.04308	2.2
177.05698	1.8
178.02725	0.9
179.03499	12.2
179.05588	2.6
189.05608	1.4
191.03514	1.8
193.05054	5.9
194.05386	2.5
197.04500	2.9
197.08185	47.2
198.08498	2.9
209.04492	1.8
219.02991	3.8
221.08199	1.5
228.10237	1.3
236.21587	1.0
239.05353	1.1
239.09274	2.5
259.05942	1.1
269.04590	3.1
269.17447	1.5
271.09732	3.8
287.05707	2.0
293.02899	5.7
315.08786	4.1
329.05258	7.5
329.08899	1.7
339.21658	1.1
359.07123	1.7
359.13843	13.7
359.20432	1.2
360.14044	1.9
413.21820	2.7
429.13977	2.2
431.22849	15.8
432.23358	1.1
473.15695	1.2
491.16891	8.5
492.14838	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Okanin 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.49232	0.3
54.26067	0.3
54.63642	0.3
57.03438	0.6
59.01382	14.1
61.98836	0.8
63.02400	1.2
65.00325	12.0
69.03461	0.3
71.01382	2.1
71.61266	0.3
72.99305	0.5
73.02955	0.7
75.00891	0.6
83.01392	4.9
85.02941	0.7
87.00868	1.7
89.02437	0.8
95.01337	0.3
101.02461	1.0
103.00387	0.6
107.01392	18.5
108.02227	0.5
109.02972	1.7
112.98798	0.9
113.02477	0.9
117.03462	0.4
118.98044	0.3
119.05043	1.4
121.02927	0.4
125.02445	4.8
133.02942	0.4
134.03763	1.8
135.04527	78.4
136.01686	0.5
136.04875	3.3
137.02440	0.6
145.02977	0.4
148.88853	0.3
149.00912	0.9
151.00374	100.0
152.00694	3.5
152.57295	0.3
159.04532	0.6
161.02432	1.1
161.04504	0.6
163.04030	1.0
164.01143	0.4
165.01907	0.7
169.01421	1.3
177.01938	0.9
179.03517	1.1
193.05070	0.6
215.03415	0.4
269.04593	0.6
269.63300	0.4
285.03989	0.6
286.04642	0.4
287.05606	69.5
288.05972	5.7
307.07944	0.3
311.22437	0.6
311.92886	0.4
315.15945	0.6
339.10803	1.6
359.24420	0.6
373.25806	0.9
389.22250	0.5
431.09695	0.9
431.26837	0.5
449.10883	0.9
482.68320	0.4
491.11929	22.9
491.28015	2.0
492.12338	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	489.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84392	0.2
53.76653	0.2
58.00578	0.9
59.01379	20.6
60.01709	0.3
65.94149	0.2
70.03944	1.0
71.01373	0.8
72.99306	1.4
73.02960	0.4
80.73144	0.2
85.02969	0.7
87.00879	12.3
88.01224	0.3
89.02419	0.4
93.07092	1.4
95.01385	0.2
97.06604	0.3
101.02457	0.4
103.00376	5.5
109.06578	0.2
112.98811	1.5
113.02443	0.6
119.05028	0.3
123.08186	0.3
125.90841	0.2
130.99855	2.2
133.02983	0.3
135.04526	0.9
149.00934	0.4
167.42516	0.2
179.03468	0.4
208.39491	0.2
209.11855	0.3
227.16527	7.0
228.16855	0.5
277.12234	0.3
293.02780	0.3
297.24167	1.0
327.25369	7.7
328.25748	0.6
339.25436	1.1
345.30057	0.5
357.26453	100.0
358.26791	10.9
489.27130	5.5
489.34659	0.6
490.27502	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30928	0.5
58.00599	1.0
59.01380	29.7
60.01707	0.7
61.98832	27.5
65.44070	0.5
70.15904	1.1
70.16308	0.8
71.01385	5.1
72.99309	2.3
73.02953	2.3
75.00875	1.2
83.01424	0.8
85.02975	1.5
87.00872	13.0
88.98822	1.0
89.02465	3.6
91.01902	0.8
93.03474	0.9
95.01367	0.7
99.00887	0.8
100.16507	0.5
101.02455	4.0
103.00370	5.4
107.05049	1.4
108.02158	0.8
109.02942	4.2
112.98801	3.1
113.02431	2.6
117.03472	0.6
119.03493	1.0
119.05022	3.6
119.05751	0.6
121.02944	1.1
123.04536	1.3
125.02411	0.6
127.00362	1.1
130.99840	3.7
133.02945	3.4
134.03769	4.9
135.00894	1.5
135.04527	100.0
136.04897	3.7
137.02441	8.3
139.00397	1.5
141.26686	0.5
145.02960	1.4
147.04510	1.1
148.05222	0.7
149.00914	15.1
149.02396	1.7
149.06084	4.9
150.03210	1.6
151.04002	1.5
153.05565	2.0
153.09221	3.3
159.04536	0.8
160.01688	1.1
161.02463	9.1
161.04581	1.7
161.06059	0.9
163.00345	0.9
163.04010	5.6
165.05583	2.5
171.04559	0.7
173.75526	0.5
175.04019	1.6
177.05605	2.1
178.02689	1.5
179.03484	12.0
179.05287	0.6
179.05727	0.6
180.03883	0.6
187.04105	0.5
189.05585	2.4
191.03531	2.2
193.05054	6.3
197.04547	1.3
197.08180	5.9
205.05051	0.7
207.06639	1.0
219.02951	7.9
221.04546	1.2
231.02951	1.9
235.07907	0.8
239.05522	2.7
269.04550	2.8
270.05133	0.6
275.01877	0.7
287.05637	0.7
293.03055	11.8
294.03366	0.7
311.04175	1.2
311.09348	3.4
312.09885	0.5
315.08762	1.6
329.05139	16.4
330.05557	1.1
359.11612	1.8
359.13269	1.7
377.07721	0.5
383.46826	0.5
387.20410	0.6
429.13995	2.6
431.22885	4.7
469.16840	0.6
491.12006	0.9
492.13785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	58.6
61.98824	19.4
68.44138	6.4
70.30415	21.5
71.01385	23.4
89.02436	25.3
100.38577	5.9
101.02461	7.0
113.02399	8.4
133.03000	12.8
135.04570	8.7
175.60776	5.9
177.02045	5.9
192.04300	31.5
197.11801	20.2
207.06607	33.3
209.24089	6.3
236.67355	5.8
285.03799	10.5
294.79449	6.0
309.20596	29.5
480.53583	7.6
485.55624	6.7
489.36090	100.0
490.36047	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	489.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.6
57.88927	0.5
58.00546	0.6
59.01381	23.8
61.98797	1.0
62.37287	0.5
71.01385	3.2
71.61668	0.6
72.99329	2.4
73.02904	1.1
83.04977	0.5
85.02914	1.9
87.00881	13.3
89.02396	1.2
95.01374	1.0
95.04961	0.8
97.06052	0.5
97.06581	6.7
99.00798	0.6
101.02405	1.5
103.00381	5.3
109.02946	0.5
111.08039	0.7
112.98803	3.1
113.02381	1.4
119.04963	1.3
123.04488	1.0
129.10359	2.6
130.08710	2.0
130.99796	2.3
133.02917	1.0
134.03662	0.6
135.04543	5.5
141.10321	0.9
143.11842	0.7
149.00806	1.0
161.02386	2.1
161.05904	0.5
162.06836	1.0
163.03911	1.3
171.11366	2.3
171.28342	0.6
177.01974	0.8
179.03532	2.8
186.05521	0.8
186.99870	0.6
187.07674	0.6
187.10786	0.9
201.11253	1.0
219.02916	0.6
227.16438	1.4
229.08716	1.0
241.18100	11.2
242.18417	1.0
253.08907	0.5
255.19565	0.6
267.19650	0.8
273.16125	1.0
284.03149	1.5
285.04041	1.3
291.19656	1.9
297.24341	1.0
309.20752	7.9
309.24146	1.1
310.20862	0.5
327.25354	6.6
328.74454	0.6
339.25162	0.8
357.26453	100.0
358.26797	11.6
401.30801	1.5
445.29471	6.1
458.50427	0.5
489.10999	1.1
489.27225	19.0
489.34302	1.9
490.27734	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	489.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.00574	1.1
59.01381	17.6
61.78666	0.3
69.03432	0.4
70.38409	0.8
71.01376	1.2
72.99303	1.1
83.01392	0.6
85.02943	0.8
87.00876	11.0
93.07098	1.5
98.20517	0.6
103.00375	4.5
112.98791	1.2
113.02444	0.9
124.55643	0.4
125.02373	0.4
130.99870	2.6
135.04539	0.5
149.00911	0.7
157.46838	0.4
226.12256	0.4
227.16521	7.2
241.18089	0.6
297.24277	0.7
299.25748	0.4
311.22043	0.5
327.25351	7.1
328.25763	0.5
339.25427	1.3
345.29971	1.1
357.26443	100.0
358.26813	11.8
489.27008	4.8
489.34265	3.1
490.34552	0.5
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
50.03697	1.8
57.03440	3.3
59.01382	100.0
61.98830	3.7
68.52045	2.0
70.13265	1.9
71.01389	20.5
71.29679	2.7
72.99316	6.4
73.02946	7.3
83.01395	2.4
83.41858	1.8
85.02975	4.7
87.00869	16.8
89.02447	13.9
93.03472	10.6
99.23141	1.7
101.02434	14.5
103.00385	3.9
108.02170	4.7
109.02973	18.3
113.02460	9.2
117.03465	7.2
117.33615	1.9
119.03501	5.8
119.05026	37.7
120.05334	3.8
121.02962	6.1
123.04517	4.4
125.02441	2.2
129.03464	7.3
130.99860	2.3
133.02969	5.1
133.06573	2.3
134.03728	12.1
135.04538	14.4
137.02425	4.0
143.03423	2.5
143.04988	4.6
145.02939	26.0
146.03587	7.4
147.04530	98.9
148.04832	4.8
149.00911	22.6
149.06093	3.6
151.03990	3.5
152.01132	3.0
153.05594	2.1
159.04512	17.7
160.01643	3.4
161.02461	2.6
161.04575	6.0
161.05919	3.4
163.04022	22.9
175.03999	6.5
177.05490	2.5
179.03514	3.9
179.05565	5.0
193.05035	6.0
203.03558	2.8
205.05069	2.7
205.12318	2.7
211.05980	2.3
211.07671	12.6
214.05011	2.9
223.07642	8.5
223.13359	4.5
229.01494	3.1
237.09239	8.6
239.10863	2.4
250.06313	2.4
251.07355	1.9
253.08841	2.4
265.08731	5.1
267.06683	2.7
269.08182	37.4
270.08563	2.4
283.09778	3.1
285.04044	2.6
295.06079	2.2
313.07190	29.8
313.10593	2.9
314.07611	2.4
314.13889	4.3
327.08725	18.4
331.02100	2.1
339.05057	6.2
353.81647	2.2
357.05942	3.2
357.09793	29.0
358.13129	5.4
369.09805	3.8
429.21268	3.5
445.21164	2.5
489.06790	4.0
489.15149	25.1
490.16721	2.6
511.27182	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26652	0.6
52.08465	0.6
59.01379	100.0
60.01714	1.8
63.95353	0.7
69.55544	5.2
70.10950	0.6
71.01391	1.7
73.02973	0.9
81.04559	0.6
87.00890	3.5
101.02450	1.9
103.00378	1.1
109.02949	7.5
111.50813	0.7
113.02454	1.2
119.03519	0.8
119.05026	2.5
121.02975	1.3
129.03413	4.2
130.99907	1.1
145.02959	3.4
146.03761	2.0
147.04523	45.5
148.04906	2.2
149.00897	3.6
156.63899	0.8
159.04520	5.4
229.01459	1.3
269.08173	14.4
270.08435	1.2
277.05487	0.8
313.07123	15.3
313.10324	1.0
314.07510	2.4
339.05222	2.0
489.06848	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	489.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	1.0
61.98809	0.6
63.02415	1.4
65.00324	0.9
67.43634	0.5
73.02950	1.5
83.01405	1.8
85.02981	0.9
87.00888	1.0
89.02478	0.8
89.42304	0.5
101.02464	1.6
105.42802	0.4
107.01411	2.7
109.02948	0.9
113.02438	1.1
133.02951	4.6
134.03734	1.6
135.04524	1.0
149.02499	1.0
149.04398	0.6
151.00360	4.9
152.03511	0.8
153.03886	0.4
161.04536	0.9
162.76088	0.4
175.04033	1.4
177.01933	0.5
198.03067	0.5
199.04004	1.7
200.04814	0.8
201.02043	0.5
211.04037	1.3
212.19113	0.5
213.05611	0.5
215.03481	0.8
217.05022	0.5
227.03546	1.9
241.04971	0.5
255.03036	1.6
256.03751	4.5
257.04434	0.7
283.02420	1.1
284.03265	69.5
285.04028	84.3
286.04395	7.0
297.04077	0.6
327.04868	0.8
363.95700	0.5
387.20230	0.9
429.21188	1.2
489.10367	75.7
490.10712	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	489.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01384	3.2
60.39625	0.6
61.98832	1.0
63.82820	0.7
70.34047	0.5
70.57875	2.1
78.95906	8.4
83.05029	0.6
84.99305	8.4
87.00880	2.1
89.19049	0.6
96.96963	0.6
101.12737	0.6
109.06596	0.6
111.08173	1.3
112.98814	100.0
113.99165	2.8
131.05045	0.6
133.06602	0.9
147.04518	5.2
152.99606	1.8
165.11551	1.0
165.12854	11.8
166.13170	1.1
171.00636	2.3
183.13898	41.3
184.14288	3.0
197.15471	1.2
209.11769	1.1
225.15091	0.8
227.12877	47.2
228.13158	3.4
269.14157	0.8
285.04330	0.8
405.65311	0.7
489.36383	1.0
490.25797	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	489.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06131	0.8
51.52818	0.8
57.03447	1.6
58.00599	1.3
59.01382	100.0
60.01717	0.9
61.98839	1.4
69.03465	1.1
71.01386	30.7
71.29932	1.5
72.99324	3.5
73.02951	11.1
75.00906	0.9
78.51190	0.7
81.03455	1.0
83.01390	3.7
85.02948	8.4
85.03368	0.7
87.00886	9.1
89.02449	22.2
89.37914	0.7
93.03475	4.3
93.83154	0.7
95.01400	2.2
96.99336	1.4
97.02948	1.6
99.00900	3.0
99.04504	1.1
101.02448	28.6
103.00410	1.2
108.02226	1.2
109.02948	8.6
111.00884	0.7
111.08175	1.1
112.98853	1.2
113.02444	10.4
115.04024	0.9
115.92119	1.1
117.03475	3.1
119.03522	4.9
119.05032	7.2
121.02975	2.5
123.04526	4.3
125.02486	2.6
129.03508	2.9
130.04269	1.3
130.99896	1.4
131.03503	4.9
131.05092	1.7
132.02180	6.5
133.02963	4.3
134.03743	19.8
134.04684	1.4
135.04567	5.0
137.02477	2.3
139.07695	5.3
143.03506	1.6
143.05075	4.4
145.02948	5.9
146.03734	3.8
147.04529	45.8
148.04922	1.5
149.00945	11.3
149.04558	7.4
149.06042	3.5
151.04012	1.4
151.06163	2.8
158.03775	1.5
159.03195	1.3
159.04515	8.4
160.01662	32.7
161.02321	2.7
161.04556	10.2
162.74652	0.7
163.04008	4.1
163.11276	0.8
173.06104	0.9
175.04004	37.8
176.04662	5.2
177.01968	2.2
178.02782	2.6
179.03499	3.6
179.05603	2.3
190.96144	0.8
191.05602	2.0
191.07207	5.8
192.04269	1.0
193.05074	26.1
194.05444	1.4
195.06769	0.8
195.10292	1.5
207.06770	2.6
207.13956	0.9
210.07059	1.2
211.07643	14.3
212.07996	1.6
217.05135	0.8
220.03793	1.0
221.06770	1.1
226.06529	1.1
229.01585	1.4
233.06725	2.5
235.06091	23.1
236.06468	0.9
237.09402	1.5
241.08759	1.0
251.07217	2.6
252.08015	1.1
253.08751	1.4
254.09528	0.8
261.48248	0.9
265.07266	3.8
265.09351	1.2
267.06705	1.6
267.16031	4.8
269.08185	14.7
270.05524	2.0
270.08420	0.8
280.07550	2.3
283.09689	0.9
285.07584	1.4
293.08920	2.9
295.08047	4.2
309.07721	1.3
313.07175	12.6
313.10794	1.8
314.07632	1.7
327.08719	12.5
337.09482	1.8
339.05255	2.1
355.10406	1.8
357.05646	1.3
357.09836	25.1
357.15527	3.1
358.10239	2.8
369.09549	1.1
429.21582	2.0
445.20438	0.9
489.06244	1.0
489.08084	1.7
489.16321	19.5
489.20563	11.1
490.16125	1.5
490.21384	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96244	1.2
55.01877	1.4
57.21307	1.6
59.01382	86.8
60.01701	1.9
61.98839	2.2
69.49068	10.7
71.01385	28.1
71.01759	1.8
72.99314	3.7
73.02956	7.3
75.00885	5.6
83.01408	3.3
85.02962	9.5
87.00877	17.5
88.00462	1.6
89.02449	21.4
93.03463	3.0
95.01385	2.6
97.02951	3.3
99.00898	5.1
101.02442	21.2
103.00404	2.1
105.03471	1.5
109.02960	10.9
112.22556	1.3
113.02458	12.5
115.04005	2.4
117.03477	4.2
119.03563	3.1
119.05016	12.6
121.02995	2.1
123.04552	7.6
125.02420	4.5
129.03508	2.8
130.99835	1.7
131.03510	2.3
132.02168	18.2
133.02956	7.1
134.03745	54.2
135.04602	7.9
137.02432	3.4
139.00349	1.5
139.07651	8.5
143.05017	3.7
145.02946	3.8
146.03738	2.3
147.04536	36.7
148.05019	2.1
149.00899	11.5
149.04591	2.4
149.06090	7.1
151.04045	2.1
151.06120	6.5
159.04512	7.2
160.01666	87.1
161.02252	6.6
161.04578	9.2
161.05852	2.0
163.03986	5.5
165.05594	1.6
173.06033	2.3
175.04012	100.0
176.04619	10.9
177.01871	2.1
177.55983	1.4
178.02666	2.9
179.03549	2.3
179.05605	2.0
191.07153	12.2
193.05074	73.8
194.05428	4.7
195.10265	2.6
207.06651	6.3
211.07692	8.2
223.07715	3.0
233.06708	2.8
235.06108	37.7
236.06427	3.0
237.09258	3.8
253.08780	2.0
265.06848	7.9
269.08163	13.1
271.26971	1.6
280.07562	1.7
284.02942	1.6
293.08667	1.7
295.08112	7.6
313.07208	11.6
313.10950	3.7
327.08914	7.3
337.09341	1.9
339.05222	2.0
355.10358	3.2
357.09845	23.9
357.15164	2.2
358.09976	3.7
369.09967	1.8
392.44745	1.6
475.44681	1.5
489.15512	73.4
490.15781	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	489.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55222	1.6
55.01857	2.2
57.03425	1.9
58.00573	1.8
59.01380	49.9
71.01055	1.9
71.01386	26.0
71.61094	2.0
72.99300	3.7
73.02929	3.3
74.09302	1.4
83.01366	1.9
85.02924	6.2
87.00870	8.6
89.02444	21.6
92.22855	1.4
93.03458	17.7
95.01378	2.1
97.02912	1.8
101.02460	16.6
108.02167	3.6
109.02961	12.1
113.02466	8.9
115.00378	2.0
117.03466	2.1
119.03461	10.3
119.05029	95.1
120.05318	2.6
121.02946	3.5
123.04489	5.9
129.03439	4.2
130.99792	2.2
131.04953	2.5
132.05734	5.1
133.02933	3.1
133.06557	2.1
134.03702	7.1
135.04524	7.7
137.02419	3.3
143.03464	3.6
143.05005	2.4
145.02922	6.3
145.06549	4.2
146.03732	2.5
147.04527	46.7
148.05313	19.3
149.00932	13.4
149.04477	1.7
149.05960	2.4
151.04018	23.1
156.53381	1.4
159.04501	9.3
161.02477	2.1
161.04500	4.0
161.05984	2.7
162.03168	2.3
163.04010	52.2
163.07663	16.9
171.04459	1.8
173.05904	1.7
174.03151	1.6
175.03996	2.6
177.05586	15.0
179.03404	1.6
179.05501	5.7
187.03963	2.6
190.06281	4.1
193.04958	3.2
195.06630	13.9
202.06383	3.5
205.08574	5.2
210.06856	16.8
211.07648	100.0
212.08006	8.4
214.06255	4.4
217.08725	3.7
223.07547	5.4
229.01366	1.6
237.09344	9.6
239.10768	20.7
247.09792	13.2
253.08595	2.3
269.08182	19.3
270.08557	2.0
283.09683	9.2
291.08743	2.5
296.08960	1.6
309.09689	6.9
313.07227	16.4
313.10516	3.2
314.07419	2.1
327.08063	10.3
339.05026	2.4
357.05862	2.4
357.09763	22.1
358.09641	2.3
373.12732	4.4
429.20819	1.9
471.14856	2.9
489.14331	90.6
490.14645	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	489.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.5
58.00599	3.0
59.01379	100.0
61.98831	3.3
69.03456	3.8
69.68202	10.2
71.01385	61.0
72.99325	7.3
73.02949	5.1
75.00887	2.4
83.01396	5.4
85.02956	15.4
85.75973	1.7
87.00871	10.0
89.02448	76.1
93.03465	3.2
95.01388	3.9
97.02957	7.2
98.20553	3.7
101.02441	51.0
108.02221	5.8
109.02975	8.0
113.02446	21.5
119.03510	39.3
119.04990	19.6
120.05331	2.1
121.02962	2.9
122.34745	1.8
123.04523	10.8
131.03499	2.4
133.02922	2.8
134.03740	9.2
135.04543	10.1
137.02477	2.9
143.03506	6.3
145.02968	7.3
147.04539	15.7
148.05312	93.4
148.22899	1.9
149.00917	8.2
149.02455	2.0
149.04539	4.0
149.05946	5.0
150.03307	2.3
151.03986	2.2
159.04506	11.4
160.05255	3.4
161.02477	5.6
161.04558	6.6
161.06047	4.6
162.03241	3.1
163.04005	14.6
163.07648	81.4
164.08009	4.2
165.05569	5.6
172.05287	4.1
173.06078	3.7
174.03178	2.1
175.03938	5.0
175.07634	2.9
176.04744	2.7
177.05554	7.2
178.06369	2.6
179.03955	3.6
179.05576	22.9
185.06097	3.1
186.06870	5.5
187.04010	8.1
187.07631	2.8
189.05580	7.4
190.06241	6.0
191.07072	4.1
195.06624	6.9
201.05557	4.7
202.06377	13.6
203.03436	3.0
203.07050	2.3
204.04240	3.7
205.05112	4.5
205.08702	9.6
210.06844	3.1
211.07562	13.7
213.05637	4.2
214.06380	17.7
215.06650	3.0
217.08662	16.5
219.06676	2.6
219.10167	2.9
229.08717	9.9
232.07385	7.2
235.09760	7.6
237.09299	5.2
239.10783	3.6
243.45567	2.1
247.09753	72.8
248.10197	4.6
265.10931	5.3
269.08188	6.4
279.08658	6.7
291.08685	11.9
309.09766	19.3
313.07419	4.1
327.10706	8.2
357.09863	16.4
489.16125	65.4
490.15991	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	489.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15497	1.1
59.01380	26.4
68.93745	0.9
69.67284	6.9
71.01385	17.2
72.99316	2.5
73.02944	1.9
75.00827	1.2
77.44303	1.0
82.71507	1.4
83.01356	2.0
85.02931	3.4
87.00871	5.7
89.02457	12.3
93.03455	19.0
95.01361	2.0
101.02444	9.0
108.02141	3.2
109.02957	9.7
113.02433	4.7
115.00343	1.2
117.03445	2.7
119.03526	3.6
119.05025	96.1
120.01259	1.4
120.05341	3.9
121.02916	2.3
123.04507	4.1
125.02406	1.2
129.03464	3.3
131.03421	1.3
131.04965	2.0
132.05786	3.8
133.02914	3.0
133.06561	2.7
134.03748	6.6
135.04526	7.5
137.02412	1.7
138.05562	1.1
143.03394	1.6
143.04976	2.2
145.02922	5.0
145.06563	4.1
146.03711	1.9
147.04526	31.7
148.05316	9.7
149.00900	8.0
149.06007	2.2
151.02846	2.2
151.03999	28.9
153.05664	1.2
158.25591	1.2
159.04535	6.1
161.02362	2.1
161.04535	2.4
161.05988	1.8
162.03072	1.1
163.04004	50.8
163.07701	6.2
164.04288	1.8
166.05083	1.4
175.03920	1.4
177.05556	18.0
179.03429	3.2
179.05624	2.6
187.03900	2.1
195.06625	12.6
196.11256	1.3
202.06329	2.2
205.04985	1.5
210.06844	18.7
211.07642	100.0
212.08043	5.7
223.07605	1.9
237.09261	7.2
239.10765	19.1
247.09689	4.6
253.08728	2.5
265.08679	2.8
269.08185	12.3
283.09689	11.3
309.09680	2.6
313.07162	10.9
313.10471	2.5
315.13281	1.2
327.08371	5.4
339.04834	2.6
356.62393	1.1
357.05948	1.3
357.09827	16.0
373.12799	4.0
429.21255	1.5
489.14084	93.1
490.14389	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	489.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.6
59.01382	22.5
62.82100	2.2
69.54086	14.6
69.54502	4.1
71.01381	92.0
72.99307	29.6
73.83485	2.3
85.02937	3.4
87.00886	29.9
89.02450	16.5
93.03461	4.5
93.23331	2.8
101.02447	9.6
101.76669	2.1
102.05617	7.6
109.02959	3.9
112.36248	2.6
113.02440	4.1
115.00372	37.4
115.01559	3.4
119.03525	5.6
119.05027	25.6
123.04511	3.1
128.03539	8.9
129.01935	18.1
129.03909	3.9
133.01448	2.5
135.04521	9.2
145.06140	12.7
146.04597	23.2
147.02998	100.0
147.04865	7.8
147.06636	36.6
147.69296	2.2
148.03349	3.8
148.05145	2.6
149.00908	5.0
151.04021	3.0
163.03990	17.8
163.07718	2.7
165.04120	3.1
177.01959	2.2
179.05634	8.1
185.20255	2.3
187.32932	2.8
191.05609	3.2
210.06931	3.7
211.07584	23.4
237.09186	13.9
239.10736	6.9
265.08624	2.4
269.08264	4.2
341.10867	28.9
357.09854	3.4
376.37717	2.5
489.13922	41.5
490.14355	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	489.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25049	0.1
57.03411	0.2
58.57146	0.1
59.01382	2.5
62.06841	0.2
65.23962	0.1
65.58506	0.1
71.01357	0.4
85.02921	0.2
87.00843	0.5
89.02409	0.3
95.01368	0.7
99.00863	0.2
101.02414	0.2
103.00355	0.2
105.03444	0.5
108.02153	0.6
109.02928	1.5
111.00759	0.1
112.98784	0.3
113.02440	0.3
119.05019	0.2
121.02934	0.3
123.00893	0.7
123.04482	0.4
124.01609	0.4
132.02190	0.8
133.02940	1.0
134.03722	0.2
135.04472	0.2
136.01657	3.2
137.02406	0.6
145.02943	0.2
146.03659	0.2
147.04526	0.3
148.01677	0.2
149.00929	0.2
149.02347	0.2
160.01654	2.0
161.02441	17.6
162.02765	0.8
169.06592	0.3
171.04526	0.3
172.05263	0.4
173.06023	0.3
174.03165	0.2
177.01950	0.2
179.03496	0.3
180.05823	0.2
181.06535	0.2
183.04453	0.3
184.05255	0.2
185.06117	1.0
186.06822	0.5
187.03952	0.3
196.05252	0.6
197.06013	0.5
198.03168	0.6
198.06709	0.2
199.03989	1.4
199.60539	0.2
200.04736	0.4
201.05511	0.5
202.06133	0.2
211.03970	0.6
213.01935	0.6
213.05566	1.8
213.09109	0.2
214.06311	0.9
214.17427	0.2
219.03032	0.2
223.04080	0.3
223.07639	0.7
224.04788	1.9
225.05539	1.6
226.02704	0.2
226.06358	0.8
227.03453	1.6
228.04170	0.4
235.04071	0.2
239.07108	0.4
241.05042	1.8
242.05779	0.8
251.03415	0.5
252.04285	1.8
253.05067	2.6
254.02130	0.3
254.05328	0.1
255.02985	1.9
267.06671	1.1
268.03894	0.3
269.04541	4.1
270.05313	68.6
271.05676	5.7
271.07794	0.1
283.06082	0.5
284.06888	1.5
285.07669	100.0
286.08017	8.4
327.08871	0.2
357.26437	0.9
358.27155	0.1
429.11884	0.2
489.14075	5.7
490.14322	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42191	0.4
55.41226	0.4
59.01380	29.2
60.01749	0.4
61.98819	1.1
69.44319	1.2
69.44743	1.7
71.01374	1.6
72.99320	0.6
73.02941	1.2
85.02955	0.7
87.00867	1.5
89.02440	1.1
93.03466	0.5
95.01403	0.7
101.02439	1.6
103.00378	0.6
107.01373	0.6
108.02173	0.8
109.02952	2.2
112.98846	0.5
113.02428	0.6
117.03455	0.5
119.05023	0.8
121.02950	1.0
123.00871	1.5
124.01657	2.0
132.02139	0.4
133.02951	5.5
134.03738	0.7
135.04553	2.3
136.01653	2.2
136.04895	0.8
137.02470	2.3
145.02965	1.3
146.03784	0.5
147.04529	0.6
148.01649	1.3
149.00935	0.9
149.02383	0.6
151.00342	1.8
160.01668	0.4
161.02472	3.3
161.19527	0.4
163.04025	1.2
171.04434	0.6
175.04019	1.2
176.01161	0.6
177.01912	0.8
179.03513	1.6
183.04463	0.5
185.06110	0.8
186.06819	0.5
192.32211	0.4
193.05037	0.9
197.06067	0.7
198.03055	0.5
199.04004	1.9
200.04732	0.7
202.06413	0.7
211.03999	1.7
213.01932	0.5
213.05481	1.9
214.06270	1.3
217.05019	0.6
219.02988	0.5
221.03181	0.4
224.04649	0.7
224.29851	0.4
225.05602	2.1
226.06340	1.9
227.03464	2.7
239.03647	0.4
239.10931	0.6
241.05072	4.3
242.05649	0.8
252.04236	1.0
253.05074	2.2
254.02074	0.4
255.03008	5.9
256.03711	0.6
267.06564	0.5
268.03729	1.1
269.04523	8.6
270.05319	96.1
271.05621	6.5
283.02435	0.5
283.06226	0.7
284.03296	5.5
284.06549	0.7
285.04071	43.0
285.07666	100.0
286.04395	2.8
286.08014	8.5
293.03036	0.5
429.12061	3.6
429.21017	0.6
430.12549	0.5
489.14035	5.7
490.14423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1041
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.63586	0.2
51.53505	0.2
57.03458	0.2
59.01381	31.3
60.01717	0.6
61.98830	2.0
63.02407	0.8
65.00341	0.7
68.99827	0.2
71.62108	0.5
71.96759	0.2
72.99321	0.8
73.02954	1.0
75.00877	0.2
78.81693	0.2
80.91676	0.2
81.03495	0.2
83.01389	1.0
85.02943	1.2
87.00874	1.8
89.02448	1.2
91.01914	0.3
93.03455	1.1
95.01375	0.4
99.00891	0.5
100.95866	0.2
101.02449	1.7
103.00383	0.7
105.03444	0.2
107.01384	2.2
108.02194	0.4
109.02969	1.0
112.98789	0.9
113.02453	1.8
117.03486	0.6
119.03532	0.3
119.05004	1.7
121.02966	0.6
123.00921	0.3
123.04514	0.3
125.02450	0.5
130.99858	0.3
131.05032	0.4
132.02147	1.3
133.01399	0.2
133.02966	2.7
134.03763	1.8
135.00873	2.2
135.04509	2.2
136.04858	0.2
137.02420	0.6
137.09662	0.2
138.05713	0.2
141.07176	0.2
143.03596	0.2
143.05035	0.5
145.02974	0.5
145.40594	0.2
147.04543	0.7
149.00903	0.7
149.02466	0.3
149.06078	0.7
150.03229	0.2
151.00371	2.2
152.01146	0.5
153.01930	0.6
154.04298	0.2
157.06593	0.5
158.03714	0.2
159.04489	1.1
161.02446	0.6
161.04568	0.8
161.05884	0.2
163.00389	1.9
163.04041	1.3
164.01099	0.4
165.01907	0.3
167.04984	0.6
169.01491	0.3
169.06589	0.5
171.04524	0.7
173.02429	0.2
175.04007	0.9
177.01939	3.3
178.02739	0.4
179.03496	1.3
183.04512	0.6
185.02426	0.4
185.06062	1.5
186.03287	0.3
187.04001	2.4
189.05606	0.8
189.34808	0.2
190.99881	0.3
193.05083	1.2
195.04559	0.7
197.06091	0.8
198.03114	0.2
199.04022	1.5
200.04710	0.6
201.05482	0.4
210.03149	0.2
211.03973	2.5
212.04680	0.3
213.01900	0.3
213.05534	1.3
215.03560	0.2
217.05029	0.3
219.02946	0.2
221.04497	0.3
223.03999	0.2
227.03499	23.6
228.03868	2.0
229.05060	7.1
230.05385	0.6
239.03484	1.3
239.10696	0.3
240.04169	0.6
241.05057	1.3
242.05711	0.4
243.02962	0.5
255.02980	51.5
256.03555	6.8
257.04544	4.2
267.02957	0.7
267.16031	0.4
268.03537	0.3
270.05225	0.3
283.02417	0.7
284.03256	80.6
285.04016	100.0
286.04379	7.6
286.07690	0.3
293.03244	0.4
297.03687	0.2
327.01630	0.3
327.05063	0.8
327.08527	0.3
339.08624	0.2
357.09863	1.1
387.20233	0.4
403.23251	0.2
429.21240	0.7
447.09265	0.5
447.26086	0.4
488.29181	0.3
489.10367	48.0
489.23059	1.6
490.10651	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	489.1039
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
52.53379	0.5
57.03443	0.8
58.00597	0.7
59.01378	22.9
61.98827	2.4
63.02402	0.8
65.00352	1.0
69.35597	3.1
69.36019	2.0
70.29221	0.5
71.01379	3.9
72.99306	1.7
73.02950	1.9
83.01402	1.4
83.96368	0.5
85.02956	0.6
87.00889	4.1
89.02458	1.2
90.85332	0.6
91.01904	0.7
93.03448	0.7
99.00896	0.6
101.02431	2.9
103.00379	2.1
107.01399	4.7
108.02180	2.3
109.02982	3.3
112.98805	4.7
113.02453	1.8
117.03416	0.6
119.05051	1.0
121.02941	4.0
125.02386	0.6
130.99873	0.9
131.04762	0.5
133.02975	1.6
134.03772	1.0
135.00908	1.6
135.04521	6.1
137.02419	1.5
145.02950	0.7
147.04488	1.4
148.01651	2.6
149.00896	1.6
149.02414	0.8
151.00359	15.8
151.03978	0.6
152.01071	0.9
159.02898	0.6
159.04503	1.2
161.02443	2.2
161.04509	0.6
163.00389	4.7
163.04033	3.7
164.01134	1.1
169.01454	1.1
174.03151	0.7
175.04008	3.3
177.01994	0.7
178.99863	7.2
179.03528	1.7
183.04604	0.7
187.04033	1.0
191.01804	0.9
191.03429	0.6
192.99669	3.4
193.01196	0.6
199.04018	1.1
201.05577	0.7
203.03528	0.7
209.02776	8.7
210.03053	0.7
211.03859	1.3
215.03580	0.6
216.04198	0.7
219.22858	0.7
224.71307	0.7
225.14984	1.1
226.02675	1.5
227.03511	5.5
229.05049	0.8
235.00705	0.6
239.03561	0.8
243.02980	12.0
244.03418	1.2
245.04533	1.8
253.01758	3.7
254.02252	2.2
255.02983	27.8
256.03409	2.0
266.02161	0.6
271.02481	53.1
272.02881	5.7
273.04037	1.7
283.02518	2.3
284.03198	1.4
285.04016	2.4
291.19788	0.6
293.03033	1.0
295.02786	7.2
299.01913	1.7
300.02744	100.0
301.03476	55.6
302.03903	3.2
304.21167	0.6
309.20663	0.7
356.25436	0.8
357.26337	2.2
378.44833	0.7
427.33090	0.6
447.09183	3.2
448.10001	0.6
489.10333	60.1
489.26147	5.9
490.10635	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	488.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.8
60.31434	1.0
66.03194	1.3
69.47814	3.8
69.48235	4.1
71.01401	3.1
74.02483	2.1
89.02442	2.1
100.04037	1.4
101.02488	1.8
102.05611	41.5
115.00378	3.7
127.05138	3.2
128.03542	31.2
135.04536	1.7
141.06500	1.3
145.06187	20.1
146.04597	100.0
146.06508	7.3
146.08252	2.7
147.03023	5.9
147.04930	1.9
154.88060	1.2
191.05563	1.5
191.64867	1.2
194.05508	1.7
219.63188	1.3
329.65311	1.2
331.08917	1.2
341.11081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.2
61.98832	100.0
69.84943	1.4
71.01391	1.6
72.99307	0.3
73.02962	1.1
77.37525	0.3
85.02962	0.4
85.54089	0.3
87.00891	0.6
89.02473	0.6
93.03478	0.4
99.00900	0.6
101.02469	1.6
109.02985	0.5
112.98782	0.4
113.02449	0.9
119.03504	0.5
119.05049	0.6
121.02999	0.3
134.03732	0.6
135.04533	1.4
145.02945	0.6
149.00943	0.9
149.02313	0.3
152.03539	0.5
161.02495	0.6
161.04637	0.5
163.03957	0.4
171.04501	0.3
177.01851	0.3
179.03546	0.9
207.06772	0.3
207.13951	0.5
208.06967	0.3
225.11285	0.4
304.43704	0.3
359.12982	0.3
369.19385	0.4
429.21414	0.4
470.38690	0.4
489.23395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67003	1.0
59.01388	6.3
60.97974	1.2
61.61733	1.1
61.98830	12.9
69.00990	0.9
71.01386	12.5
72.52912	1.0
72.99303	1.4
73.02946	1.4
73.44102	1.2
75.00856	1.9
76.76696	1.2
84.94564	1.2
86.02493	11.0
87.00857	8.5
88.04047	2.9
89.02456	14.1
91.05558	1.1
93.03423	2.2
96.95963	1.4
96.96945	1.2
101.02413	2.7
107.05006	4.7
108.02155	1.4
109.02952	9.2
113.02431	3.0
117.03474	2.3
118.03764	1.5
119.03626	1.2
119.04243	1.6
119.05036	30.0
120.01291	1.1
120.05372	11.3
121.02909	2.5
122.03749	8.7
123.04539	13.4
123.64878	1.2
124.01637	1.9
125.02399	1.8
128.03494	1.3
133.05075	56.7
134.03708	3.8
134.05386	2.1
135.04524	73.7
136.04872	2.7
137.02446	3.4
145.02943	11.8
146.03281	9.4
147.04521	2.6
148.07634	2.4
149.00972	1.8
149.02499	1.7
149.06149	1.2
150.05537	1.4
151.03923	3.1
154.02681	2.4
159.04427	1.5
162.06361	1.3
163.04019	21.8
164.04340	13.4
164.07153	3.2
165.04170	2.3
165.05568	1.7
177.01892	1.9
177.05438	1.5
179.03493	48.2
180.03949	2.7
193.05103	1.4
195.06612	3.0
203.85930	1.3
205.05048	2.5
206.05377	1.8
210.07712	100.0
211.07915	7.0
237.03955	1.3
239.10756	1.2
269.08206	2.0
325.09235	2.6
326.09772	5.2
354.11859	20.1
355.12250	1.3
357.09586	3.9
372.12991	31.4
373.13281	3.5
399.09210	1.3
444.15100	8.5
449.17532	1.3
488.17990	22.2
489.12592	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	487.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98856	1.0
57.03449	4.0
58.00586	4.0
59.01378	100.0
60.01698	1.1
60.23230	0.9
61.98829	22.6
63.97688	0.8
64.13334	1.2
65.23652	0.8
68.99824	3.0
69.03450	2.2
69.45103	7.7
70.84586	1.0
71.01378	9.5
71.05013	3.1
71.31766	0.9
72.99301	8.4
73.02943	4.1
77.76718	0.9
83.05047	1.0
84.99300	1.0
85.02944	3.4
85.06593	4.7
87.00874	39.7
89.02421	5.1
97.02898	1.2
97.06583	4.3
99.00887	10.0
99.04498	1.1
101.02451	4.8
103.00371	44.6
107.04952	1.3
109.02945	1.8
112.98820	8.2
113.02448	2.9
117.03448	1.3
119.05030	3.9
121.02937	1.7
123.08170	2.5
125.02417	2.2
125.09713	1.1
129.09245	6.6
130.80196	0.9
130.98938	1.7
130.99869	22.4
131.01378	1.0
132.02122	1.2
133.02953	1.5
134.03719	4.1
135.04530	11.4
137.02460	1.8
141.09190	2.8
143.10864	1.3
145.02959	3.3
147.04549	1.2
148.60204	1.0
149.00928	4.5
149.06111	2.2
161.02438	3.3
163.04068	5.4
165.75444	1.0
167.04909	1.0
177.05630	1.8
178.02737	1.6
179.03502	7.9
179.07169	1.1
193.05098	5.1
203.03427	1.0
209.15540	1.0
211.17004	10.1
212.04774	2.0
219.03024	2.6
223.03920	2.3
223.20648	1.1
224.04776	8.6
233.06508	1.7
234.09442	1.0
239.03516	2.3
240.04176	1.7
256.03714	1.6
265.69116	1.1
267.02850	2.4
268.03754	20.6
283.06104	67.9
284.06500	5.4
293.03107	1.9
293.24780	1.2
307.08182	1.9
311.25861	3.0
355.24860	98.1
356.25305	10.7
387.20065	1.5
487.15521	1.9
487.25143	13.3
488.25778	1.4
496.98517	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.35384	0.2
54.40357	0.2
59.01376	0.5
70.09721	0.8
86.96912	0.2
87.06605	0.2
95.16053	0.2
103.97110	0.2
112.98782	0.2
134.03731	0.3
135.04524	0.4
149.36261	0.2
161.02393	0.2
168.20587	0.2
178.02626	0.2
179.03435	0.3
205.00726	0.2
220.06558	0.2
244.50284	0.2
258.03577	0.2
293.03094	0.3
340.49863	0.2
379.30295	0.3
391.30237	0.3
402.58203	0.2
409.31140	0.8
421.31412	0.2
432.56580	0.2
461.89151	0.2
487.34280	100.0
488.34622	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	487.3431
Annotation	2-Epitormentic acid
Peak:m/z	Relative Intensity
59.01389	2.3
61.22984	0.8
61.98826	4.1
69.89866	1.4
69.90276	3.6
71.01353	1.2
85.65152	0.8
88.99353	0.8
90.28920	0.8
135.04541	1.0
193.05148	1.3
244.67155	0.9
246.59224	1.0
252.66481	0.9
265.21671	1.2
379.29932	1.1
392.54129	0.9
409.31122	4.8
410.31305	1.1
425.34262	21.3
426.34647	2.7
443.35349	7.2
453.29959	1.0
469.33212	4.9
487.34305	100.0
488.34753	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	487.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43209	1.1
57.03442	3.4
58.00584	3.4
59.01382	88.7
60.01712	1.4
61.98825	7.5
71.01385	5.1
71.05032	6.7
72.99324	5.7
73.02958	2.5
82.44220	1.0
83.05027	2.7
84.99284	1.2
85.02955	3.3
85.06586	15.0
87.00875	40.0
89.02464	2.3
95.05013	1.2
96.95967	1.6
98.20621	3.9
99.00873	2.9
101.02400	2.8
102.99693	2.2
103.00377	32.4
109.02953	1.8
112.98808	10.2
113.02449	2.5
117.03464	1.1
119.05038	3.6
125.02405	1.1
130.99873	15.0
133.02951	2.3
134.03731	2.6
135.04541	14.0
135.05518	1.8
137.02379	1.7
139.11295	3.5
143.10762	3.0
144.65767	1.0
145.03011	1.8
149.00923	2.4
149.06107	1.6
150.03145	1.2
151.03964	1.4
151.11322	1.8
153.12852	4.2
154.45943	1.0
161.02454	3.4
161.04599	1.7
163.03984	5.3
177.05641	1.3
179.03491	7.8
191.03426	1.2
193.05061	2.9
193.06618	1.5
204.00273	1.1
218.38461	1.1
219.03017	3.0
221.19272	1.7
293.03134	2.4
311.26089	5.9
355.24896	100.0
356.25253	10.8
373.25690	1.9
487.16824	1.2
487.25470	10.3
487.32202	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	487.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72510	2.5
59.01393	22.1
61.98838	30.7
64.11819	2.5
66.99299	2.4
71.01391	27.4
71.17421	6.0
89.02450	31.8
97.06588	2.5
101.02459	4.8
113.02445	6.4
119.03462	2.7
135.04510	2.9
179.05623	5.7
181.46675	2.4
209.11867	9.5
244.51726	3.0
245.19095	3.5
256.73813	2.9
285.47421	3.2
289.18164	9.0
307.19138	5.2
393.68927	2.7
409.31412	4.3
425.34485	15.9
443.35736	6.3
469.33179	3.3
487.34372	100.0
488.34784	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52981	0.8
53.54798	0.9
57.03450	16.4
58.00592	2.5
59.01382	100.0
61.98839	3.7
69.03465	1.9
69.51445	6.4
71.01370	4.1
72.99310	6.1
73.02961	1.2
75.00891	0.9
81.07110	1.9
82.00539	0.9
83.05043	0.9
85.02968	1.6
87.00875	37.9
88.01183	0.9
89.02458	1.2
90.44374	0.9
99.00928	1.2
101.02464	1.5
103.00376	47.8
109.02944	1.4
112.98803	7.2
113.02384	0.9
119.05031	3.3
125.09726	2.8
130.99867	24.4
132.02144	1.0
133.02953	1.4
134.03754	3.7
135.04530	17.9
137.02531	1.0
139.00369	0.9
139.71431	1.1
145.02902	1.6
147.04546	1.3
149.00926	3.3
149.02441	0.8
150.03214	1.3
151.04012	1.0
161.02391	2.5
163.03979	4.3
178.02725	1.3
179.03513	10.5
180.03912	1.1
191.03502	1.2
193.05083	3.6
196.05046	0.8
211.17026	12.3
212.04738	0.9
212.17256	1.1
219.02983	1.9
224.04727	1.9
229.62263	0.8
240.04272	0.9
250.81310	0.9
267.03015	1.0
268.03720	7.5
269.08344	1.2
282.05280	1.4
283.06128	23.7
284.06403	1.6
293.03131	2.3
300.02582	0.9
307.04727	1.2
309.24249	0.9
314.76797	1.0
355.24890	73.3
356.25192	7.8
384.39124	0.9
389.51303	0.9
427.10309	3.0
470.73248	1.1
486.75113	2.2
487.12509	1.4
487.25262	14.0
488.25610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.3
61.98830	1.8
70.92494	1.3
71.01379	7.7
72.99303	1.2
73.02950	0.9
75.00863	0.6
83.01405	0.6
85.02949	2.1
87.00874	4.7
88.14684	0.4
89.02436	5.3
93.03468	0.8
95.01366	0.5
97.43687	0.4
101.02460	3.6
103.00279	0.5
104.56124	0.5
111.35502	0.5
113.02447	3.3
117.03465	22.8
118.03799	0.7
119.03587	1.1
119.05026	34.8
120.05326	1.1
121.02964	0.9
133.06570	2.5
134.03722	2.5
135.04535	1.1
137.02470	0.7
143.03479	0.7
145.02951	100.0
146.03299	3.9
149.00912	3.1
149.06039	1.4
151.04062	0.5
159.04449	0.6
161.02472	0.6
161.04584	1.2
161.06073	5.4
163.04008	51.8
164.04344	1.8
177.05544	2.4
178.02692	1.4
179.03493	0.9
179.05586	0.7
187.04012	1.1
193.05058	2.7
205.05081	7.5
206.05405	0.8
217.05003	0.6
222.07756	0.5
235.06058	4.7
265.07169	10.2
266.07709	0.8
307.08191	5.7
325.09308	3.5
487.14566	49.9
488.15018	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	487.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.3
59.08308	0.5
61.98825	5.4
65.64874	0.6
69.52003	1.7
69.52431	3.1
69.99030	0.5
71.01382	9.0
72.99313	0.9
73.02952	1.7
83.01402	0.9
85.02966	2.7
87.00867	5.3
89.02440	5.6
93.03455	1.1
95.01392	1.0
99.00871	0.7
101.02453	5.3
103.81915	0.7
109.02931	1.3
111.00853	0.7
112.98799	0.6
113.02465	4.2
117.02622	1.2
117.03469	24.1
118.03865	1.4
119.05028	38.9
120.04583	0.7
120.05372	2.0
121.03008	0.8
122.38658	0.7
133.02963	1.3
133.06599	2.1
134.03757	2.3
135.04552	4.2
137.02443	0.8
143.03517	0.7
145.02953	100.0
145.69746	0.7
146.03297	5.9
149.00945	1.9
149.06042	1.1
151.04019	1.2
152.01152	1.4
159.04498	0.7
161.02449	1.8
161.04585	1.8
161.06082	6.5
163.04008	51.4
164.04332	2.3
167.03423	1.4
175.03914	1.1
177.01944	1.1
177.05617	3.0
178.02681	0.6
179.03494	3.6
187.03932	1.4
189.05496	0.7
193.05049	1.8
196.25876	0.8
205.05037	9.2
210.21213	0.7
227.14212	0.6
235.06128	5.6
239.09172	0.7
265.07150	12.6
266.07471	1.3
267.06598	1.3
307.08109	4.5
325.09012	3.0
428.44119	0.9
487.14566	51.0
487.20544	3.1
488.14810	6.7
488.20981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
61.98832	0.9
70.99240	1.2
70.99565	0.9
71.01405	1.2
72.99301	1.1
87.00890	2.7
89.02437	1.0
99.92563	1.5
103.00402	1.6
115.92110	1.0
116.92840	3.9
117.03460	0.9
119.05030	89.5
120.05357	3.8
133.05025	1.0
134.03740	10.0
137.02443	1.7
145.02957	7.4
149.06056	3.3
161.04486	1.0
161.06088	1.0
163.04012	100.0
164.04359	4.3
178.02718	5.8
193.01413	1.3
193.05061	23.9
194.05432	1.1
205.05040	1.4
208.45081	1.0
293.44351	0.8
325.09235	12.5
355.10339	4.3
441.62344	1.0
457.17398	0.9
487.14365	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	487.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51102	0.5
51.80061	0.4
54.25393	0.5
58.02977	0.6
59.01369	3.4
59.79932	0.5
64.23614	0.5
71.01386	2.4
71.59794	0.7
72.00907	0.8
72.99308	1.4
73.63384	0.5
74.02472	1.9
75.00860	0.7
78.88401	0.5
82.02974	1.2
84.04562	3.3
85.02930	0.8
87.00860	1.3
89.02451	2.6
89.03578	0.5
97.42023	0.5
98.02484	0.9
100.98852	0.5
101.02460	1.4
101.07233	1.2
102.05609	9.6
103.92097	0.5
109.04058	4.1
113.02432	1.4
119.03519	1.1
119.05027	8.6
120.05373	0.5
125.03594	2.8
127.05138	17.6
128.03557	11.6
131.04674	0.6
134.03712	0.8
135.04546	2.5
144.03061	1.0
144.06703	0.7
145.06189	100.0
146.04601	21.1
146.06514	2.1
149.00934	2.2
163.04002	6.1
164.04364	0.9
165.04128	0.6
171.68910	0.5
179.03508	2.8
179.05602	1.5
193.05072	1.4
231.49808	0.5
232.09067	0.5
245.93161	0.5
267.06699	0.7
341.10965	4.8
342.11276	1.7
412.05026	0.6
487.14597	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	487.1246
Annotation	Acacetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03461	0.4
59.01379	8.1
61.98841	0.9
65.36897	0.2
68.99815	0.3
69.03461	0.4
71.01396	0.9
72.02317	0.2
72.99327	0.7
87.00865	2.0
89.02472	0.3
90.10664	0.2
97.06619	0.3
99.00896	0.3
101.02457	0.4
103.00352	2.5
112.98830	0.6
113.02505	0.5
117.03481	0.5
117.27853	0.2
119.05058	0.9
123.08186	0.6
130.99852	1.1
131.01437	0.6
132.02153	1.5
133.02965	0.4
134.03781	0.6
135.04529	2.1
136.01711	0.2
137.02428	0.3
141.09259	0.8
145.02966	0.8
149.00902	0.4
149.02403	0.3
149.06107	0.5
150.03241	0.4
159.04520	0.3
159.61116	0.2
161.02493	0.7
163.04008	0.7
167.05067	0.7
175.00372	1.3
179.03493	1.5
183.04442	0.4
184.05322	0.8
184.33022	0.2
191.03328	0.3
193.05107	0.5
195.04468	1.7
196.05272	1.1
203.03485	0.4
211.03975	1.1
212.04782	3.0
213.05325	0.3
219.03047	0.4
223.04042	2.5
224.04774	10.9
225.05197	0.6
227.03545	0.7
235.09810	0.3
239.03496	3.8
239.07042	0.5
240.04285	2.9
244.16356	0.2
251.03554	0.6
256.03778	1.8
260.32224	0.2
267.03000	3.6
268.03763	31.6
269.04144	2.5
282.05383	0.6
283.06116	100.0
284.06461	8.2
284.09607	0.5
293.03183	0.4
307.08380	0.3
354.23941	0.2
355.24841	4.3
356.25287	0.2
387.14313	0.4
487.12018	2.4
487.25748	0.7
488.12769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1249
Annotation	Acacetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.22519	0.2
59.01380	4.9
61.98818	0.6
62.99003	0.2
64.48934	0.2
71.01387	0.6
72.99303	0.2
73.02933	0.3
83.05047	0.2
85.02954	0.3
87.00875	0.7
101.02452	0.3
103.00377	0.2
108.02176	0.5
109.02929	0.2
112.98833	0.5
117.03425	0.3
119.04996	0.4
128.03535	0.4
130.08864	0.2
131.01393	0.5
132.02176	2.1
133.02945	0.2
134.03717	0.5
135.04512	1.8
137.02402	0.2
145.02940	0.2
149.00916	0.5
149.02409	0.4
161.02437	0.4
163.04016	0.4
167.05055	1.0
171.04607	0.2
174.37579	0.2
175.00372	1.3
178.02631	0.4
179.03474	0.7
183.04504	0.6
184.05251	0.5
193.05049	0.8
195.04517	2.2
196.05280	1.1
211.04002	1.8
212.04807	3.0
213.05283	0.2
219.02972	0.5
223.04015	3.1
224.04774	11.5
225.05124	0.5
227.03581	0.5
228.04076	0.2
237.71100	0.2
239.03473	5.9
239.07188	0.5
240.04262	3.2
251.03462	0.7
255.06580	0.4
256.03799	1.7
267.02963	6.6
268.03751	31.7
269.04086	2.3
282.05338	4.9
283.06107	100.0
284.06448	8.8
293.03088	0.5
307.08392	0.3
386.07428	0.2
427.10266	2.8
428.10513	0.3
445.11325	0.3
487.12442	10.9
488.12857	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
58.00616	1.2
59.01381	82.2
60.01714	1.0
61.98809	1.5
69.60438	4.5
71.01385	10.3
72.10204	0.6
72.99308	11.9
73.02956	4.1
75.00865	1.7
78.95895	0.8
79.95757	1.8
80.96514	9.0
83.01394	1.4
85.02975	3.9
87.00876	28.7
88.56331	0.7
89.02440	3.4
94.98080	2.0
97.03001	0.8
98.19882	1.5
99.00871	1.8
101.02439	8.8
103.00380	13.0
105.01925	1.9
106.21147	0.6
108.02154	3.4
108.75240	0.7
109.02981	4.4
112.98777	1.8
113.02489	3.4
113.79710	0.7
115.92111	1.3
116.51482	0.8
117.03459	0.9
119.03500	1.4
119.05035	1.9
121.02961	1.3
122.97549	0.9
123.04507	3.7
125.02483	0.8
128.03473	1.0
130.99852	5.1
133.02942	1.3
134.03761	5.9
135.04526	7.2
136.04926	0.8
143.03513	0.8
143.05078	0.8
145.02965	9.7
147.04520	1.2
149.00919	100.0
149.06107	2.8
150.01144	1.3
151.04050	1.4
152.01147	2.4
152.98589	1.1
159.04488	0.8
161.02441	2.5
161.04565	4.0
163.04016	2.5
164.98602	2.1
167.03479	2.2
169.66142	0.8
175.04016	1.7
178.02748	2.4
179.03468	4.8
190.02753	1.9
193.05064	7.9
205.05130	1.7
219.02853	1.0
225.00757	2.5
227.07104	0.9
235.06198	2.3
237.05676	1.0
267.06631	6.6
269.07986	0.9
269.10339	4.7
276.43506	0.8
281.04559	1.1
307.08276	2.1
311.05939	1.5
311.11758	5.7
323.69421	0.7
355.08096	10.1
356.08463	0.9
365.00009	0.8
452.21140	0.9
487.14859	22.6
487.24530	1.3
488.15561	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70107	0.8
57.03441	1.0
57.26599	0.7
58.00587	1.1
58.98554	0.7
59.01379	83.2
60.01724	1.3
61.98813	1.8
64.55683	0.8
69.76040	4.4
70.51805	0.8
71.01382	9.2
72.99308	13.8
73.02940	4.6
75.00867	2.0
78.90582	0.8
79.95738	1.4
80.96516	9.7
83.01387	1.7
83.04973	1.0
85.02941	4.0
87.00875	26.4
89.02447	3.7
94.98077	2.4
95.01377	0.9
98.20525	1.1
99.00892	1.5
101.02450	7.5
103.00374	10.6
105.01944	2.0
108.02173	2.9
109.02920	2.1
112.98828	2.2
113.02442	5.0
115.92062	1.2
119.03594	1.0
119.05002	2.7
120.33237	0.8
121.02933	0.9
123.04501	4.8
125.02467	1.0
128.03532	1.8
130.99872	4.8
131.03485	1.0
133.02945	1.5
134.03752	4.4
135.04538	5.1
137.02458	1.1
140.39973	0.8
143.04984	1.0
145.02963	7.4
149.00912	100.0
149.06064	1.6
150.01291	2.1
151.03975	1.0
152.01140	2.7
159.02895	1.0
160.01680	0.9
161.02422	1.6
161.04562	3.2
162.05667	0.9
163.03954	2.3
164.98637	1.9
167.03491	2.7
171.10190	0.8
175.03967	1.5
176.04706	1.0
178.02641	1.4
179.03493	4.2
181.05017	1.0
190.02696	1.8
193.05052	6.2
203.03394	1.1
205.05045	1.4
218.05826	0.9
225.00717	3.7
235.06163	1.3
250.06223	0.9
265.07104	1.2
267.06583	5.3
269.10489	4.3
303.31012	0.8
307.08218	2.1
311.11688	6.8
355.08224	7.2
445.66113	0.8
487.14746	20.4
487.24661	1.8
488.15503	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	487.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92960	1.0
58.00594	1.4
59.01381	25.4
70.45268	3.7
72.99315	2.6
87.00886	16.4
89.07143	1.0
103.00370	12.7
109.02953	4.6
112.98814	5.8
117.03454	1.8
119.05078	1.3
127.00371	5.5
130.61298	0.9
130.99860	9.0
133.02945	6.7
134.03754	34.5
135.04535	45.7
136.04843	1.5
137.02446	6.8
139.00392	2.4
139.03995	1.6
145.02957	2.0
149.00914	12.6
149.06091	12.0
150.03232	1.5
151.03992	1.0
154.99858	1.3
159.04518	1.4
160.01640	1.7
161.02460	18.4
162.03004	1.1
163.03992	8.7
173.02556	1.3
175.03999	2.6
175.29945	0.9
177.05618	2.6
178.02727	16.4
179.03494	25.1
180.03842	1.2
187.04083	0.9
190.02715	1.4
191.03477	4.2
193.05057	100.0
194.05386	5.5
205.05081	1.0
208.41451	0.9
219.02995	23.3
220.03175	1.4
231.02962	5.2
233.04570	3.6
233.08768	1.0
240.55669	1.1
275.01965	2.7
293.02994	21.0
294.03448	2.5
307.04599	6.2
311.04190	2.9
325.05646	17.8
349.18622	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.5
62.40173	1.7
68.99848	2.0
70.14532	7.0
71.52948	1.8
72.99311	4.4
81.32220	1.8
84.99277	2.5
85.33353	1.6
86.18766	1.7
87.00871	18.4
103.00381	5.9
107.05073	2.1
108.28436	2.1
109.02949	7.7
111.00906	1.8
112.98811	16.6
127.00368	9.8
130.99849	6.2
133.02950	12.7
134.03746	23.3
135.04523	100.0
136.04874	4.4
137.02455	9.8
139.00385	8.2
145.02936	2.3
147.04549	3.1
149.00923	3.6
149.02299	1.8
149.06068	6.9
151.03972	2.8
155.53615	2.0
160.01665	8.0
161.02437	36.5
162.03131	6.5
163.03998	16.1
173.02473	2.1
174.03258	2.0
175.04042	9.3
177.05577	5.0
178.02708	7.8
179.03497	58.5
180.03825	2.5
190.02744	2.7
191.03477	12.2
191.58311	2.1
193.05057	43.7
194.05396	2.1
202.02771	2.3
205.05107	3.7
219.02988	38.9
220.03387	2.7
231.02913	7.9
233.04549	17.1
274.99023	1.8
275.01993	6.2
293.03021	37.0
294.03271	4.3
307.04565	19.0
311.14990	1.8
325.05518	5.8
350.93896	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	485.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62928	1.1
57.03434	2.2
58.00588	2.4
58.02974	0.9
59.01380	62.7
59.69457	0.9
61.98827	3.1
63.98758	0.9
69.31566	0.9
69.87133	1.9
69.87550	4.3
70.68953	0.9
71.01395	3.0
71.05025	13.1
72.99297	3.9
73.02935	1.7
73.79477	0.8
83.05034	12.6
85.02964	1.5
85.06594	15.7
87.00880	28.3
89.02435	1.3
97.06554	2.0
99.04503	1.9
101.02446	1.3
102.99703	1.3
103.00377	23.8
111.08160	1.5
111.67548	0.9
112.98820	3.7
115.19542	1.0
125.02483	1.1
128.03505	3.2
129.09187	5.1
130.99843	7.8
133.88240	1.0
135.04521	2.7
141.09271	1.3
143.04582	4.2
143.10744	3.5
147.04507	1.3
149.00848	1.9
153.12808	3.2
160.00752	1.2
161.02357	1.2
163.03934	1.4
179.03416	1.3
209.15468	1.3
211.17018	1.5
272.08945	1.1
306.07568	2.3
307.08115	2.0
308.07629	1.0
309.24371	7.6
310.24503	1.0
353.23325	100.0
354.23608	13.4
359.24496	1.0
397.29840	1.5
441.28448	2.4
485.23651	3.1
485.27899	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	485.327
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
59.01371	0.5
61.98838	0.4
69.47423	1.8
71.01390	0.4
73.02943	0.4
75.54241	0.2
83.05019	0.2
86.78040	0.3
87.00893	0.3
96.88805	0.2
100.00435	0.4
103.00385	0.2
112.98809	0.3
134.06171	0.2
142.09108	0.2
154.30273	0.2
205.16594	0.2
209.18697	0.2
241.19661	0.4
407.29614	0.7
419.72891	0.3
471.31415	0.3
473.32996	0.3
475.12161	0.2
485.32712	100.0
486.33084	17.2
502.31219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3273
Annotation	CHEBI:67946
Peak:m/z	Relative Intensity
59.01377	3.4
59.37830	0.9
61.98826	3.2
62.13433	0.9
64.07322	0.9
64.27536	0.8
65.98911	1.0
78.95921	1.4
79.31853	0.9
192.31990	1.1
216.45650	1.0
378.65701	1.0
437.30688	3.2
444.38837	1.1
446.59109	1.3
446.65387	1.2
455.26627	1.2
455.31625	73.3
456.32050	11.1
485.32721	100.0
486.33096	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	486.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07719	0.3
57.52186	0.4
59.01380	0.4
60.60773	0.4
61.98861	0.5
69.91019	1.3
69.91431	0.9
75.73469	0.4
83.35667	0.4
88.04048	54.9
89.04446	0.5
90.68208	0.4
98.20507	0.7
147.08157	2.4
149.09723	1.5
152.99367	0.4
160.08910	0.5
161.09737	1.2
163.11310	3.1
164.11598	0.6
187.11322	2.8
187.12759	0.4
265.12399	0.6
279.13956	1.2
280.14703	1.3
297.65094	0.4
301.44583	0.3
307.17020	1.1
309.22278	2.1
320.76251	0.4
322.19217	0.5
337.21738	100.0
338.22064	12.0
486.26962	12.1
486.33313	1.0
487.27347	1.9
487.34409	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72394	0.5
55.75517	0.6
56.03945	0.6
59.01377	0.9
61.98851	1.3
68.99558	0.8
69.36381	5.2
75.63335	0.7
86.02481	9.6
88.04041	1.1
93.03461	3.3
106.04264	0.8
107.04968	0.6
119.05029	16.2
120.05399	1.1
122.04373	0.7
135.04507	0.7
148.07677	0.7
148.29201	0.6
149.00989	0.7
163.04008	22.5
176.07135	0.9
179.03429	0.7
194.08221	100.0
195.08562	5.2
234.83719	0.6
274.50192	0.6
325.92288	0.7
330.96597	0.7
364.08987	0.6
485.12308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64024	0.6
57.03434	1.6
58.00575	0.8
59.01380	52.7
60.01704	0.6
61.98838	1.8
69.27357	0.9
69.27758	5.7
71.01385	8.2
72.99310	1.5
73.02940	3.3
83.01379	1.8
85.02953	7.9
87.00889	2.8
87.34092	0.6
89.02445	3.1
93.31218	0.7
95.01371	0.8
96.00927	0.8
96.96048	0.7
97.94464	0.6
98.20572	1.6
99.00854	0.8
101.02445	5.7
103.00378	1.4
107.05014	1.2
109.02938	1.1
109.06609	0.9
111.04524	0.9
112.98782	0.7
113.02452	6.5
117.03456	0.8
119.03496	1.6
119.04977	1.5
123.04528	0.9
125.02460	0.8
125.06078	2.8
129.01866	0.6
133.02957	2.0
134.03746	1.2
135.04504	4.2
135.08211	0.7
136.05287	2.3
137.02423	1.2
139.07603	1.4
140.91936	0.6
143.03300	0.6
145.02972	2.0
147.02945	0.8
147.04568	1.0
148.05243	0.9
149.00941	1.5
149.06050	1.4
151.07642	2.5
152.01187	1.2
152.08392	1.9
161.02452	3.3
161.04616	2.0
161.09682	0.9
163.03960	0.8
163.07622	1.3
169.43100	0.6
175.03973	1.5
177.05518	0.6
179.03506	2.8
179.07188	0.7
185.09776	1.0
189.05611	1.1
191.01956	1.6
193.05081	1.0
201.12849	9.1
203.10799	4.0
204.11534	18.0
219.13885	20.1
220.14290	1.6
243.13980	1.1
245.11766	3.4
263.12866	100.0
264.13232	7.4
287.12924	5.3
305.13895	5.7
309.11829	1.1
317.45779	0.7
383.13461	3.1
384.13898	0.7
443.15497	1.4
485.17047	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	485.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89850	1.0
57.03452	5.2
58.00589	2.7
59.01381	67.0
61.98830	6.8
69.06298	0.9
71.01385	4.1
71.05013	1.0
72.02161	1.2
72.99316	4.7
73.02958	2.4
83.01397	1.6
85.02953	3.2
87.00880	28.3
87.04510	23.0
89.02457	1.3
94.98103	3.4
99.04536	1.4
101.02454	2.3
103.00368	27.0
111.08188	1.3
112.21445	1.1
112.98831	4.2
113.02482	1.6
130.99855	10.2
135.04492	2.9
137.09702	7.6
141.00334	1.0
149.00911	2.5
153.12827	1.2
155.10800	3.6
158.03670	1.5
163.04013	2.1
164.39737	1.0
165.05580	1.4
166.39978	1.2
169.12352	1.8
179.03442	1.5
217.05104	1.5
353.23331	100.0
354.23618	12.1
397.29596	2.2
441.28311	3.3
485.24063	5.8
486.24411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.0
58.00598	1.6
59.01381	42.3
61.98832	2.6
69.60281	4.5
69.60700	2.3
71.01382	23.9
72.99296	2.4
73.02949	4.3
83.01376	2.4
85.02951	9.7
87.00855	2.7
89.02448	25.3
95.01358	1.7
96.95994	1.1
97.02891	1.1
97.07137	0.9
98.19770	0.8
99.00835	1.1
101.02441	15.7
108.02159	1.5
109.02932	2.2
113.02435	10.1
117.03382	1.2
119.03510	10.0
131.03476	1.0
133.02954	13.6
134.03781	6.3
135.04526	68.3
136.04828	2.6
137.02454	4.3
143.03513	1.4
147.04594	1.2
148.05280	2.7
149.00896	1.1
149.04701	1.7
149.06071	13.6
161.02443	62.1
161.04570	1.9
162.02820	3.2
175.04021	2.5
177.05573	22.1
178.02765	1.5
178.05943	1.7
179.03500	66.6
180.03828	3.6
189.05559	1.1
191.01912	1.7
193.08617	1.0
198.68803	0.9
203.03539	2.0
205.05093	1.0
219.10243	1.1
221.04541	31.5
222.04955	1.2
233.04442	1.6
247.86316	0.9
251.05606	15.2
252.06006	0.9
265.35242	0.9
281.06680	25.0
282.06870	1.3
309.11832	2.5
323.13461	71.1
324.13702	5.9
341.08823	8.8
485.16641	100.0
486.16998	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	485.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.1
58.00600	1.9
59.01383	53.1
61.98835	3.9
68.99832	1.7
69.36728	11.8
71.01395	7.4
71.05022	2.7
72.99314	11.1
73.02944	3.7
80.90234	1.4
83.01373	1.8
83.05017	2.2
84.99295	7.2
85.02960	4.8
87.00873	24.1
89.02458	4.9
89.38973	1.3
91.50222	1.2
93.03439	1.7
95.01418	1.3
97.02932	1.8
99.00854	1.6
99.04529	1.5
101.02466	6.9
103.00380	14.1
109.02955	1.7
112.98817	100.0
113.02415	6.1
113.99081	1.5
115.05568	2.2
117.03486	2.2
119.05006	6.6
121.02942	10.0
127.00375	2.2
130.99866	5.7
131.05057	4.1
133.06612	5.7
134.03754	3.7
135.04561	8.0
137.02455	1.5
143.04787	1.6
145.02969	2.5
147.04544	17.8
149.00946	7.5
149.02446	48.3
149.04399	2.4
150.02917	1.9
152.01158	3.5
161.02475	2.7
161.04622	1.8
161.06056	4.4
163.03990	9.1
164.04791	32.4
165.05428	1.6
165.12892	1.4
169.12411	1.3
171.04483	2.7
171.10277	1.4
173.02470	2.7
175.00458	3.2
175.04024	1.6
177.01933	8.0
179.03590	3.3
179.07170	12.1
181.05145	2.9
187.07545	1.4
189.01860	1.6
189.05600	10.5
190.02699	12.5
191.03467	5.0
191.05571	1.6
191.14423	1.2
192.04274	4.8
193.01419	5.2
193.05060	1.9
201.01953	1.7
203.03563	2.0
205.01440	3.8
205.05098	13.7
206.06035	1.8
207.06589	3.5
208.03783	8.3
219.03053	2.9
220.03813	6.5
221.08197	2.6
223.06126	48.6
235.06052	4.9
248.03383	1.3
249.07791	1.6
255.10127	1.4
260.03217	4.4
260.98947	1.5
263.05591	36.7
264.05902	3.0
265.07181	2.0
273.22336	1.6
275.05661	4.3
280.02267	2.4
291.23184	1.4
293.06894	1.7
309.15042	1.4
309.24432	2.4
310.25150	1.4
312.24600	1.4
319.04517	6.3
335.22333	3.5
337.05606	44.0
338.05994	2.7
342.92514	1.4
352.22186	1.6
353.23337	40.6
354.23553	4.0
437.47748	1.4
467.18668	2.2
485.23880	5.5
485.31180	6.3
494.05933	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.8
61.98828	7.7
66.69825	0.9
69.03465	1.9
69.97489	0.8
70.09495	3.1
71.01388	5.3
72.74092	0.8
74.26879	0.8
75.00867	0.9
83.01385	2.8
83.97780	0.9
85.02937	2.2
89.02464	1.5
93.03468	15.0
93.61362	0.7
95.78777	0.7
96.96000	1.3
97.35845	0.7
97.70971	0.9
99.00871	11.5
101.02460	2.0
103.43209	0.8
108.02174	1.7
111.00924	1.5
117.03465	6.4
119.05034	13.2
123.04539	1.5
130.04250	3.6
131.05026	8.3
132.05830	12.0
133.02988	3.1
133.06609	13.7
134.03775	1.6
135.04504	3.2
137.02434	1.8
143.05042	6.4
145.02954	4.1
145.06599	15.9
147.04529	33.8
147.08205	1.1
148.04878	1.4
149.06078	3.9
156.05870	2.4
157.06570	9.2
158.03752	2.0
159.03183	1.4
159.04526	5.3
160.05257	5.0
161.06091	9.3
162.12000	0.9
163.03993	3.7
163.07629	3.2
166.05058	1.0
169.06560	8.6
171.04518	2.7
172.05247	2.5
173.06070	17.8
174.06378	1.3
175.03983	10.1
175.07645	8.5
177.05576	7.8
183.72244	0.9
187.04019	1.4
187.07648	30.1
188.07968	1.6
189.05565	35.4
190.05856	1.2
191.07170	8.7
193.04990	1.4
199.07666	3.0
201.05569	40.6
202.05894	2.7
203.03459	8.5
205.05051	16.5
206.05440	0.9
217.05023	0.9
219.06602	26.5
220.07161	2.0
221.04549	22.1
222.04839	1.8
231.06628	2.6
235.06102	2.8
235.09462	1.0
243.06708	1.4
261.07727	9.9
262.07892	1.2
263.05606	48.4
264.03442	0.8
264.05908	4.2
279.08707	9.3
323.07712	100.0
324.08020	9.7
383.09872	2.9
485.12796	3.4
485.19229	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	484.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36012	1.2
57.03444	1.8
57.95154	1.3
58.02975	10.9
59.01381	49.2
61.40561	1.3
61.98832	2.1
63.79771	1.2
66.03511	1.6
69.03457	1.8
69.31725	4.6
69.32154	8.1
71.01389	6.3
72.00867	1.4
72.99308	4.2
73.02956	3.3
74.02473	23.8
78.95916	4.4
81.04559	1.4
82.02989	3.0
85.02959	3.2
86.02471	8.2
86.99104	2.1
87.00886	16.5
87.04535	2.4
87.05631	6.3
89.02461	1.9
90.00201	2.1
97.04080	4.4
98.19830	3.1
99.00892	1.4
99.05647	24.0
100.04067	1.2
101.02454	3.1
101.07214	3.2
102.05607	2.8
103.00389	19.9
107.06142	1.5
109.04078	3.8
109.06577	2.4
111.05607	2.4
112.04010	2.3
112.98794	5.4
113.02444	4.0
116.01756	2.7
119.03519	2.0
119.05000	1.9
123.05654	2.9
123.08154	3.4
124.04110	1.3
125.03558	2.0
127.05137	4.7
127.07647	2.4
128.03543	58.0
130.99879	7.3
133.02960	2.8
134.03741	1.7
135.04518	7.1
135.05635	6.4
137.07214	1.6
141.06720	3.4
143.04620	80.3
144.04877	2.5
145.06197	4.0
146.04608	7.6
149.00926	4.1
152.45674	1.4
152.99533	3.7
153.06721	5.1
160.00746	24.7
161.02365	2.0
163.04041	2.6
166.09857	5.3
167.03342	1.4
167.04602	7.1
167.08247	3.4
177.03409	8.9
179.04680	16.7
181.06206	3.3
185.05647	3.3
192.07785	2.5
197.05624	4.0
209.15442	5.8
210.08841	15.4
254.07820	29.3
255.07886	1.6
272.08868	49.4
273.09164	2.1
288.06622	14.7
306.07645	100.0
307.07843	6.0
351.21616	2.0
352.21960	6.8
353.23322	47.2
414.82910	1.5
441.23224	1.5
456.64069	1.7
483.32861	1.7
484.21759	5.3
484.33633	2.9
485.24133	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	484.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	32.4
61.98832	100.0
65.79741	1.7
66.28889	1.8
70.96989	1.8
71.01379	1.8
71.61780	2.0
78.95918	1.6
87.00873	2.4
92.31009	1.6
92.40573	1.8
97.87580	1.7
104.85232	1.7
112.58157	2.5
112.98843	1.7
165.12813	2.4
183.13895	9.1
193.23529	1.7
199.99606	1.7
227.12949	13.2
301.59955	1.6
305.60645	1.8
345.22968	1.8
403.24844	4.3
421.26001	13.2
473.02789	1.8
485.32697	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86111	1.4
57.03431	2.7
58.02970	13.3
59.01380	53.4
61.98816	2.2
63.47630	1.5
69.52847	11.6
71.01373	5.3
72.00905	1.8
72.99292	4.5
73.02947	3.1
74.02468	24.7
77.66592	1.3
78.95909	3.2
81.04560	2.0
82.02994	1.8
83.04997	1.8
84.04539	2.1
85.02940	4.3
86.02493	10.9
86.99084	3.4
87.00877	21.7
87.05640	5.0
89.02455	2.3
90.00191	1.9
97.04072	1.8
99.04548	2.3
99.05647	20.9
101.02408	4.0
101.07201	2.0
102.05598	3.2
103.00349	16.7
109.02943	3.5
109.04081	2.7
109.06620	2.6
109.07762	1.6
112.04077	2.8
112.98792	5.8
113.02423	3.7
113.03570	1.6
116.01775	3.2
119.04961	2.4
122.03720	1.5
123.05658	2.0
123.08177	2.5
124.04018	2.2
125.03519	3.1
127.05122	4.8
127.07623	3.9
128.03535	69.4
130.99850	9.0
133.02943	2.0
134.03745	1.8
135.04498	7.1
135.05620	6.7
136.04878	2.5
137.07169	1.5
141.06680	6.7
143.04623	92.2
144.04910	2.4
145.06183	4.0
146.04594	9.7
149.00899	3.6
149.09700	1.4
149.49791	1.5
152.99622	3.3
153.06712	7.8
159.99443	2.5
160.00726	30.4
161.01097	1.6
161.02409	3.6
163.03922	2.1
164.20125	1.6
166.09909	2.6
167.04593	5.8
167.08192	5.7
170.03279	1.6
171.04129	1.6
176.75290	1.4
177.03381	10.2
179.03436	2.2
179.04639	18.3
181.06381	1.6
185.05679	4.7
192.07822	2.2
197.05623	3.1
209.15445	5.4
210.08801	19.7
242.07796	2.5
254.07809	32.6
255.08061	1.8
272.08905	45.8
273.09381	2.7
282.24426	1.3
288.06537	14.2
306.07651	100.0
307.07846	6.0
352.22009	6.3
353.23312	52.4
466.18158	2.9
483.33304	2.6
484.22278	4.6
485.22635	7.9
506.56430	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	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36095	3.5
73.59726	0.3
78.95908	5.7
92.67927	0.3
96.96967	0.4
133.93954	0.3
134.01648	0.3
144.96193	0.4
150.97919	0.4
152.99594	14.8
171.00615	1.5
181.14641	0.3
193.41098	0.4
219.55547	0.3
227.03249	2.7
245.04268	1.5
255.23289	100.0
256.23633	8.5
474.58582	0.4
483.27310	25.8
484.27631	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
55.15249	0.9
57.03438	2.9
58.00603	1.1
58.20795	0.9
59.01381	100.0
60.01695	1.5
61.37592	1.0
61.98523	1.6
61.98831	27.5
69.03454	1.8
69.38955	3.8
69.39384	4.4
71.01385	45.9
72.99298	3.8
73.02950	40.1
75.00895	1.3
83.01390	13.7
85.02950	15.7
87.00874	5.9
89.02448	50.3
90.02779	1.2
93.03410	1.1
95.01377	3.0
95.05045	1.5
97.02941	1.6
99.00857	2.6
101.02444	40.5
102.02768	1.6
103.00359	1.1
109.02947	1.7
111.00877	1.0
111.72253	1.0
112.98798	4.4
113.02451	17.9
119.03491	2.9
125.02433	2.4
130.06618	2.3
131.03473	2.7
133.02950	5.8
134.03688	2.8
135.04553	6.9
137.02441	1.3
143.03468	4.0
146.09717	2.6
149.04544	4.2
151.07620	2.3
152.01137	1.0
155.03484	1.2
159.02980	1.9
160.26691	1.0
161.02361	3.1
161.04568	12.0
163.03972	2.4
177.01917	3.9
179.03468	3.0
189.32986	1.1
190.08826	1.1
191.01874	1.2
221.06596	1.6
233.04298	0.9
307.04758	1.8
352.13773	1.4
370.15094	1.6
394.14709	1.4
411.51706	1.0
412.16125	12.8
442.17139	2.0
483.33496	1.4
484.18130	66.2
484.33328	2.2
485.12051	1.4
485.18399	9.4
485.24194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29638	0.4
57.03458	1.0
59.01383	13.7
61.17941	0.5
61.98833	100.0
66.31604	0.5
66.65645	0.5
71.01379	3.0
71.61625	0.7
72.99306	1.2
73.02954	0.9
85.02969	1.2
87.00874	3.6
89.02469	1.1
93.67837	0.5
96.96032	0.6
97.02925	0.5
99.04530	0.8
101.02461	2.0
103.00391	2.4
109.02951	0.6
112.98840	1.1
113.02462	1.3
117.03479	0.6
119.05012	1.1
120.05354	0.6
123.04449	0.6
123.08215	0.5
128.32689	0.5
130.99904	0.7
133.02994	0.6
135.04521	2.8
135.08221	0.6
137.02490	0.5
145.03023	0.7
149.00922	2.1
159.36687	0.5
161.02466	1.1
163.04034	1.1
179.03514	1.8
193.05109	0.7
263.12845	0.6
279.62741	0.5
291.18314	0.6
292.18454	0.9
309.23169	0.5
351.22025	0.6
352.22128	2.7
353.23248	4.4
366.42813	0.5
484.23209	1.8
485.23346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29638	0.4
57.03458	1.0
59.01383	13.7
61.17941	0.5
61.98833	100.0
66.31604	0.5
66.65645	0.5
71.01379	3.0
71.61625	0.7
72.99306	1.2
73.02954	0.9
85.02969	1.2
87.00874	3.6
89.02469	1.1
93.67837	0.5
96.96032	0.6
97.02925	0.5
99.04530	0.8
101.02461	2.0
103.00391	2.4
109.02951	0.6
112.98840	1.1
113.02462	1.3
117.03479	0.6
119.05012	1.1
120.05354	0.6
123.04449	0.6
123.08215	0.5
128.32689	0.5
130.99904	0.7
133.02994	0.6
135.04521	2.8
135.08221	0.6
137.02490	0.5
145.03023	0.7
149.00922	2.1
159.36687	0.5
161.02466	1.1
163.04034	1.1
179.03514	1.8
193.05109	0.7
263.12845	0.6
279.62741	0.5
291.18314	0.6
292.18454	0.9
309.23169	0.5
351.22025	0.6
352.22128	2.7
353.23248	4.4
366.42813	0.5
484.23209	1.8
485.23346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01725	1.4
61.98836	1.0
71.22832	1.3
73.35835	0.5
75.00877	5.2
79.63896	0.5
83.79672	0.6
87.52472	0.5
89.02491	0.9
99.00861	0.6
111.00893	0.8
121.98417	0.6
135.03027	5.1
161.16548	0.5
197.95966	0.5
215.59364	0.5
223.13560	0.8
275.20187	1.3
293.21237	16.4
294.21634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01723	0.8
61.98824	0.9
63.11773	0.4
69.26810	2.9
69.27235	1.9
75.00858	0.6
93.73328	0.4
94.20127	0.4
97.61578	0.4
98.19813	0.9
106.50191	0.5
215.27586	0.5
265.80286	0.5
273.98376	0.5
275.20184	0.6
293.21368	1.2
295.89590	0.5
483.29208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04389	0.4
70.92591	0.8
73.37840	0.4
78.95905	18.1
83.35403	0.4
96.96958	1.5
97.34388	0.4
100.10687	0.5
150.97983	0.7
152.99599	29.6
171.00624	1.5
227.03232	4.6
245.04269	0.7
255.23294	100.0
256.23639	6.7
391.22827	0.5
483.27289	52.0
484.27557	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	483.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
55.88202	1.3
57.03436	2.5
58.00563	2.0
59.01383	70.4
61.98810	2.4
63.71845	1.3
71.01379	41.7
71.05063	1.3
72.99313	3.1
73.02943	10.0
81.03437	1.5
82.30703	1.4
83.01392	7.5
85.02955	18.9
87.00883	8.8
89.02453	16.1
95.01362	1.5
96.96004	1.6
97.02924	1.9
97.82176	1.3
98.20658	3.2
99.00875	3.9
99.04525	1.7
101.02444	30.8
103.00359	6.1
111.00883	3.9
112.98809	3.7
113.02437	13.7
119.08615	1.3
125.02483	2.1
130.99818	1.9
131.03473	10.7
135.04517	6.5
143.03543	1.7
145.02937	1.5
149.04544	4.9
161.04575	10.0
163.03949	1.9
179.03413	1.8
233.06743	3.1
291.18112	33.2
292.18338	2.2
351.14639	2.0
351.21756	13.1
407.57150	1.4
423.22333	100.0
424.22714	11.0
465.17657	2.5
483.32977	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	483.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74325	0.9
59.01387	25.2
61.98812	1.2
69.36945	7.6
71.01388	2.2
72.99320	2.7
75.00880	36.5
78.47035	0.9
78.95897	1.1
85.50032	1.0
89.01994	0.9
89.02438	4.6
90.72607	0.8
97.02469	0.9
99.00919	1.2
117.01978	1.2
135.03011	36.7
136.03297	1.1
148.49074	0.8
171.10272	1.3
195.13916	5.8
223.13362	5.0
275.20187	4.3
284.89874	1.0
293.21243	100.0
294.21542	9.8
322.85583	1.0
383.48224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03430	3.6
58.00576	2.8
59.01381	65.1
61.57127	1.1
63.85120	1.0
64.29736	1.3
69.03462	1.9
69.56573	8.6
71.01382	10.0
71.05000	1.7
72.99309	6.0
73.02938	4.0
78.95890	3.2
81.07124	2.0
83.01388	1.6
83.05020	2.9
85.02958	6.0
87.00876	38.8
89.02427	3.4
90.64649	1.2
95.05031	7.1
97.06573	2.6
99.04514	5.3
100.37905	1.2
101.02450	8.2
103.00374	30.7
112.98816	5.1
113.02429	4.4
113.06061	5.0
115.03996	4.6
119.04977	2.8
119.08667	2.4
121.02959	1.9
122.03719	2.7
123.04457	1.2
123.08107	1.4
130.93123	1.2
130.99866	16.1
131.00784	2.2
131.03447	2.0
134.01186	1.2
134.03748	2.6
135.04543	11.4
137.02434	1.5
137.09721	9.9
139.03966	1.6
147.04515	1.7
148.05222	1.4
149.00845	4.1
149.04559	2.2
151.03911	1.3
151.07672	1.9
152.99562	2.6
161.04549	1.6
163.03952	2.7
167.10730	1.3
179.03485	2.2
181.08731	3.4
211.13364	4.3
212.94731	1.3
219.17505	2.0
227.76871	1.3
291.18246	5.9
297.63687	1.2
306.07401	1.2
329.23471	1.5
351.21747	100.0
352.22113	13.5
405.15399	1.2
423.22397	15.6
424.22559	1.5
465.17773	13.3
465.32410	1.6
483.23071	11.6
483.32968	8.4
484.23306	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	483.1163
Annotation	SCHEMBL2576454
Peak:m/z	Relative Intensity
55.01868	1.4
58.21222	0.6
59.01386	6.3
61.98834	11.5
68.99824	2.1
71.01388	5.0
71.25725	0.6
72.99304	5.5
73.02966	1.0
75.00874	15.5
75.02589	1.3
83.01380	3.9
84.99329	1.4
85.01012	1.7
87.00865	2.3
88.04027	0.8
89.02446	1.8
96.95998	1.1
99.00879	4.2
100.98835	0.9
101.02444	2.6
103.00375	8.0
111.00854	1.4
111.20613	0.7
112.98814	17.1
113.02459	1.0
114.98425	0.8
115.00350	2.0
115.02061	1.7
117.01945	2.1
124.98793	1.7
127.00356	1.4
127.01985	0.7
129.01918	1.6
129.03598	1.1
131.03564	0.8
142.05058	0.6
142.99860	1.8
143.01556	1.7
145.01433	11.4
146.01721	0.7
149.00932	0.8
154.99931	1.0
157.01454	1.4
157.03056	0.8
171.01077	4.0
173.00880	0.8
194.08220	1.8
199.00534	0.8
201.12430	1.5
227.46320	0.8
231.03220	1.8
263.05783	19.0
264.06287	1.1
321.10995	0.6
335.04269	4.7
335.07864	1.4
347.07895	0.8
363.07532	1.2
391.06845	6.6
451.09232	5.5
483.11636	100.0
484.12143	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	483.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	0.7
59.01384	100.0
60.01716	1.5
61.98826	0.8
69.57880	3.5
71.01371	4.7
71.05032	1.7
72.99323	0.6
73.02956	0.6
75.00856	0.5
78.95929	1.1
83.01424	0.6
83.05049	2.0
83.13085	0.5
85.02969	1.7
85.06606	0.8
87.00887	2.9
89.02478	0.9
101.02480	1.8
103.00385	2.5
109.02960	0.5
111.04555	1.1
112.98837	1.7
113.02442	1.4
121.02995	0.9
123.04530	0.8
130.99896	1.3
133.02983	1.0
134.03737	0.7
135.04523	1.1
141.09274	0.8
149.00952	1.1
152.99548	1.3
161.02419	0.7
163.04204	0.6
177.01921	0.8
178.02672	1.3
179.03586	0.9
195.26659	0.5
197.11850	0.9
207.10439	0.6
209.11885	1.0
211.13472	0.8
289.21698	2.7
291.08896	1.1
346.16922	0.5
351.21671	9.2
352.22241	0.9
483.22687	2.3
483.29703	2.6
484.23520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03428	1.2
61.98811	2.0
63.06535	0.9
67.31358	1.0
69.01526	1.0
69.38528	4.7
69.38949	3.6
70.75510	0.9
83.05005	3.3
85.02947	2.2
95.05017	2.9
97.06596	1.6
107.05048	1.1
109.02940	4.3
109.06608	6.3
111.04511	3.2
113.06080	2.8
121.06617	2.2
122.03729	4.2
123.07327	1.7
123.08160	17.0
123.26855	1.1
125.06081	3.8
125.09681	1.2
133.06561	2.9
136.04303	1.8
136.05299	26.9
137.06081	1.5
138.03200	2.4
141.09157	1.2
150.03209	4.4
151.07651	100.0
152.07953	3.4
162.26933	1.0
169.08716	3.0
179.09990	1.0
207.84213	1.1
219.87158	1.0
419.35291	11.6
420.35519	2.8
437.36102	7.7
481.34958	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	482.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.6
61.98833	6.1
71.01383	4.3
71.05036	1.0
71.60667	0.9
73.02937	0.8
75.00873	0.9
78.91905	0.8
84.66988	0.4
85.02972	1.0
87.00872	2.4
87.87987	0.4
89.02454	2.3
93.32498	0.4
99.00900	0.5
99.04504	0.5
101.02444	1.8
109.02962	1.2
113.02469	1.2
115.07928	0.4
116.05058	3.0
119.05020	0.9
122.06126	0.6
123.04498	0.7
130.08720	0.9
133.05070	6.6
135.04485	2.4
146.08237	2.6
146.42969	0.4
149.00929	1.4
149.04543	0.9
149.06154	0.5
151.03981	0.7
159.03273	1.3
160.04039	100.0
161.02460	1.8
161.04378	5.7
163.03993	1.1
167.66275	0.5
169.11530	0.5
169.13437	0.7
174.01857	0.7
174.05637	0.8
179.03496	0.8
197.45581	0.5
202.05054	0.7
204.02980	7.7
208.99078	1.0
218.10448	0.6
257.71310	0.5
265.71738	0.5
278.10275	1.4
304.08197	1.1
322.09314	0.7
337.07449	0.8
348.06967	2.9
366.08246	2.0
419.20651	0.7
422.21255	0.6
482.12924	26.2
483.13181	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	483.1141
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
52.69554	1.0
57.34095	1.0
57.93086	1.1
59.01379	9.5
61.98820	3.4
66.59087	1.0
68.99804	3.2
70.21479	4.0
70.62673	1.2
71.01379	8.1
72.99284	2.0
73.02947	2.6
75.00871	2.2
83.01386	2.7
85.02968	7.3
87.00889	5.8
89.02413	3.1
95.01392	1.7
97.02921	1.4
99.00883	8.5
101.02417	4.4
111.00832	2.6
112.98790	1.8
113.02443	9.1
113.99580	15.3
115.00390	9.6
119.05042	11.1
121.02939	1.7
123.04498	1.8
125.02499	1.5
127.00351	3.3
129.01898	3.1
135.04507	8.8
139.00336	1.5
141.01854	1.2
145.02888	2.3
149.00911	2.2
149.05998	1.8
157.01373	5.5
163.04005	13.4
165.05435	1.2
165.14436	1.2
166.05110	1.4
168.71823	1.1
169.01405	1.2
174.01707	15.6
175.02423	1.9
175.03958	2.2
177.50368	1.0
179.03441	3.8
250.04701	1.5
277.02713	1.9
277.05673	36.9
278.06006	1.3
283.15442	1.8
300.02655	1.3
311.75577	1.3
337.07751	100.0
338.08057	5.5
423.09140	1.7
428.74106	1.3
432.31079	1.4
483.11237	60.2
483.26736	1.8
484.11591	9.2
484.27795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85339	0.5
56.02293	0.4
57.12418	0.4
59.01380	100.0
60.01699	0.9
61.98830	46.5
62.98533	0.6
63.99280	0.7
70.14510	0.4
71.01384	1.7
71.61492	0.4
72.99311	0.5
73.02969	0.5
78.95901	0.5
79.81371	0.4
83.01375	0.7
85.02967	1.0
87.00877	0.7
89.02474	0.7
99.00894	1.0
99.92600	0.4
101.02442	2.4
113.02484	0.8
118.36237	0.4
134.03752	0.5
135.04533	1.1
137.02562	0.4
151.04025	0.5
152.99664	0.5
156.89380	0.5
160.29771	0.4
161.02457	0.7
161.04582	0.6
161.78662	0.4
163.03879	0.6
178.02898	0.4
179.03606	0.6
205.98233	0.4
319.21460	0.9
481.26828	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48385	0.9
70.08819	2.4
70.09206	2.8
78.95908	47.4
96.96970	4.1
152.99603	59.6
171.00645	17.3
227.03224	3.5
245.04312	100.0
246.04698	3.6
253.21724	59.5
254.22174	6.9
442.19141	1.3
481.25717	35.6
482.26190	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59817	4.7
69.60242	3.8
78.95905	61.8
84.09789	1.1
87.21101	1.3
91.47363	1.1
96.96966	4.3
98.19949	2.3
150.98048	1.2
152.99586	94.3
153.99921	1.8
171.00648	15.1
172.82130	1.1
187.22870	1.2
192.41029	1.3
227.03229	7.9
245.04315	79.6
246.04628	3.8
253.21735	60.3
254.21968	4.2
417.04868	1.3
481.25702	100.0
482.25961	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	481.2809
Annotation	CHEBI:68085
Peak:m/z	Relative Intensity
54.86996	0.5
55.01878	0.9
57.03433	1.9
58.00599	2.4
59.01379	49.0
60.51479	0.5
61.98836	1.0
66.33653	0.5
71.01381	33.1
71.62000	0.7
72.01720	0.7
72.99308	3.4
73.02966	2.5
82.15089	0.5
83.01369	3.0
84.02123	0.5
85.02948	9.4
86.96837	0.5
87.00879	4.1
89.02441	29.8
89.61309	0.5
93.03417	0.7
95.01381	2.6
97.02968	0.5
99.00854	1.2
99.74539	0.5
101.02441	27.2
103.00379	1.6
107.86013	0.5
108.52476	0.5
112.98792	1.7
113.01686	0.9
113.02451	14.3
119.03498	11.8
119.04961	1.0
121.02942	0.9
123.04483	0.6
130.99809	0.8
131.03522	0.8
133.02921	0.9
135.04498	2.3
139.03929	0.5
143.03500	1.2
149.04527	0.8
152.99503	0.7
161.02525	0.6
161.04501	1.4
163.03957	0.8
177.01910	0.6
179.03453	1.7
179.05594	1.2
262.54208	0.5
301.21576	0.8
349.20087	1.9
359.32184	0.5
463.30991	0.7
481.27975	100.0
482.28259	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	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.1
57.03449	3.4
59.01381	71.9
60.05968	1.8
61.98829	19.3
71.01385	44.9
71.61291	2.6
72.99316	10.4
73.02951	16.4
75.00868	3.2
82.94588	1.8
83.01399	6.8
84.15355	1.8
85.02960	24.4
87.00880	11.4
89.02451	23.6
90.07539	1.8
96.96006	5.9
97.02945	2.7
99.00897	6.4
101.02451	38.5
103.00353	3.5
106.06579	2.3
107.05060	2.4
108.02158	3.2
109.02970	12.6
111.00903	5.0
112.98811	6.8
113.02461	19.1
119.05025	10.0
121.02958	3.1
123.04524	3.6
125.02441	4.7
131.03508	10.7
133.03011	1.9
134.03731	6.4
134.06136	6.4
135.04550	13.1
136.01634	8.4
137.02408	5.5
140.07137	2.6
145.02950	4.8
149.00896	4.8
149.04530	5.7
149.06091	2.1
150.03229	2.3
151.03989	5.7
151.07648	2.9
153.01945	4.3
161.02444	3.7
161.04564	7.7
163.03995	8.2
178.05040	4.0
179.03465	6.8
180.06734	1.8
191.05537	2.6
211.13371	6.8
289.16574	29.3
305.13977	3.8
375.27582	2.5
421.20801	100.0
422.21109	14.6
439.19641	3.4
463.15466	2.5
481.10101	2.3
481.17163	8.2
481.31885	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.6
58.00605	2.3
59.01379	72.7
59.36231	1.4
60.01695	1.8
61.98835	8.2
69.69764	3.3
69.70178	7.9
70.81061	1.5
71.01385	37.8
71.05024	1.6
72.99306	4.8
73.02939	4.0
75.00874	22.4
81.03462	4.3
83.01400	3.0
85.02968	8.4
87.00858	4.4
89.02448	34.9
91.47200	2.0
95.01414	2.1
99.04514	5.9
101.02441	25.7
106.84194	1.5
113.02451	16.7
119.03510	14.3
119.05026	3.5
121.06585	2.9
123.08163	1.9
125.02404	2.1
134.64131	1.7
135.04527	2.5
136.04070	1.9
138.06853	2.4
139.07637	6.7
141.09207	3.7
143.03526	2.4
149.00897	2.1
151.03986	2.9
153.09216	12.0
159.02864	1.6
161.02451	2.2
161.04530	10.3
161.09750	1.8
163.03993	4.1
164.07143	2.0
164.74231	1.7
165.09193	5.1
166.52237	1.5
179.05672	10.2
183.10405	1.8
197.11839	9.0
205.12328	7.3
209.11801	2.2
223.13341	3.2
241.14426	5.2
259.15503	29.8
260.02481	1.7
260.15829	2.9
283.10757	1.9
349.14993	2.3
421.20801	100.0
422.21271	11.2
481.17798	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53400	0.9
55.00084	1.0
56.13176	1.0
57.03435	2.1
58.00594	3.2
59.01380	100.0
60.01709	1.1
61.98830	20.0
69.38091	8.6
71.01382	44.0
72.01684	1.0
72.99303	3.3
73.02935	2.7
75.00858	1.6
75.89101	0.9
78.95947	1.1
83.01404	1.6
85.02974	6.5
87.00855	3.7
88.04041	1.8
88.62185	0.9
88.98791	1.0
89.02445	69.3
95.01374	2.1
95.38582	0.9
96.95996	1.1
98.19778	2.0
99.04515	1.0
101.02444	25.2
111.04563	0.9
113.02448	19.6
115.03982	1.4
116.92879	3.3
117.92901	1.5
119.03510	26.4
119.04993	2.0
120.24300	1.1
122.02473	3.2
131.03513	5.6
131.04340	1.0
135.04515	1.6
140.07176	2.2
143.03503	7.8
146.08234	1.7
147.04547	2.2
149.00905	2.2
149.04538	3.6
161.04539	9.5
163.03984	1.8
164.07205	6.0
179.05608	54.4
180.05861	2.0
203.08307	2.9
218.10300	2.7
223.03943	1.0
223.06168	1.0
241.05042	4.6
256.07401	3.9
271.09644	6.6
319.12000	1.4
332.13062	1.1
345.89450	1.0
361.15186	1.3
373.14127	1.5
385.13803	1.3
398.67657	1.0
421.20880	6.0
445.06354	1.4
463.17368	2.1
465.51926	1.0
481.09695	2.1
481.17661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41219	0.4
55.49152	0.5
59.01382	5.5
61.98830	5.2
64.28078	0.5
69.50004	3.8
71.01385	3.8
72.99312	1.0
73.02932	0.5
75.00874	7.4
76.27319	0.5
81.11118	0.5
85.02953	0.7
87.00871	1.5
89.02441	2.9
92.40019	0.4
93.03455	0.6
96.95984	0.7
98.19855	1.0
99.92579	0.8
100.04943	0.5
101.02444	1.8
103.43531	0.4
104.57603	0.4
109.02956	1.3
111.17429	0.5
113.02441	1.4
116.92808	0.8
119.03496	0.9
119.05011	1.7
129.63766	0.5
134.03712	0.6
135.04514	0.8
136.01645	2.4
137.02434	0.8
139.00447	0.9
149.00899	1.0
151.04015	2.0
159.04433	0.5
160.04045	1.8
160.12508	0.5
161.02419	1.1
161.04535	0.6
163.03987	1.1
165.01958	0.7
179.05591	0.7
185.06067	1.5
195.04538	1.2
197.06049	0.7
208.00636	0.9
212.04764	1.2
213.05585	9.9
216.09779	0.5
223.03960	2.3
224.04677	1.2
240.04312	0.9
241.05058	58.4
242.05362	4.0
245.74200	0.5
256.07407	50.0
257.07721	3.5
259.02271	2.5
259.15399	1.3
271.09747	100.0
272.10089	9.7
319.11844	15.4
320.12170	1.3
349.06836	0.9
421.20792	4.2
481.09848	3.9
481.16431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96301	0.7
52.74743	0.7
53.14946	0.7
83.05030	25.2
87.00885	13.7
96.96046	1.2
97.06599	6.9
99.04510	1.5
107.05020	1.2
110.03748	0.8
111.04525	100.0
112.04854	2.3
123.08171	2.3
125.06084	10.5
149.93771	0.7
155.03609	0.8
167.01080	1.3
171.18718	0.7
178.94986	0.7
183.04887	0.8
198.30135	0.8
229.26013	1.3
281.28720	1.1
311.29611	6.5
373.34912	1.0
375.32434	1.0
391.35947	5.3
417.33881	1.6
426.37057	0.8
430.44632	0.8
435.34830	18.2
436.35123	2.3
479.33865	6.1
480.33707	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3378
Annotation	SCHEMBL10014310
Peak:m/z	Relative Intensity
50.14099	1.5
55.13188	1.4
59.54104	1.6
61.98818	1.8
70.85286	5.4
83.05029	56.9
83.21281	1.4
87.00867	10.5
97.06585	11.5
99.04517	6.9
107.05020	2.3
111.04525	100.0
112.04819	2.1
112.67759	1.6
116.10303	1.8
121.06537	1.5
125.06085	13.3
126.03230	1.7
127.04018	52.4
138.03127	1.8
151.04056	1.5
175.65393	1.6
288.65045	1.6
311.29529	4.6
351.29141	13.7
391.35696	6.3
417.33771	5.0
435.34860	8.9
461.51221	1.6
479.33786	94.2
480.34219	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	479.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39789	1.0
57.03452	1.4
59.01375	4.4
61.98817	1.1
62.92299	0.9
69.31733	9.7
71.01382	3.8
78.95899	15.6
80.98458	0.9
83.05059	1.1
87.00885	15.0
96.96021	1.3
98.20579	2.1
98.60369	0.9
99.08150	1.8
107.04997	1.3
109.06569	2.3
110.98521	12.2
113.09702	3.2
121.02966	6.8
122.03710	4.0
127.79340	1.0
129.09192	6.5
130.99867	5.1
135.04549	1.7
137.02443	1.7
137.22668	1.1
147.04492	4.1
149.19038	1.0
151.11389	1.1
152.99548	3.3
162.03061	1.1
163.04028	1.8
163.45576	1.0
167.01160	7.6
169.12317	3.5
170.46309	0.9
171.10291	2.9
179.07153	1.2
181.12329	4.6
183.13818	1.6
185.02151	7.7
193.12373	4.6
197.11827	9.6
199.13371	4.4
201.11299	2.2
207.10196	3.2
211.13382	16.0
225.11378	5.2
225.14882	1.5
254.04265	4.5
265.21576	1.2
293.21213	14.2
311.22269	100.0
312.22607	11.0
358.14758	2.4
385.59000	1.1
452.02518	1.2
479.18939	7.3
479.24628	41.5
480.24777	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	479.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72456	1.3
57.03458	1.7
58.68966	1.4
59.01380	100.0
61.98827	5.6
69.97359	6.4
71.01393	12.5
71.89809	1.3
72.99304	1.5
73.02931	3.9
78.95910	3.3
83.01419	2.5
83.05041	1.4
85.02959	4.4
85.42876	1.4
87.00884	13.0
89.02437	4.4
99.00900	1.5
100.98170	1.3
101.02456	7.0
103.00359	1.4
112.98792	5.4
113.02443	6.8
119.03499	2.0
119.05033	2.9
121.02948	1.6
122.03752	2.1
125.06095	1.3
130.99860	4.4
135.04530	8.8
135.08054	1.4
137.02408	3.6
147.04562	1.8
150.03197	2.6
152.99591	2.8
159.04492	2.8
161.02423	2.7
161.04559	1.8
163.04030	3.0
165.05499	1.6
177.05389	1.3
179.03462	4.7
194.29683	1.4
203.03471	2.7
219.02943	1.7
219.10373	1.5
256.03571	1.7
311.22134	1.6
371.14719	2.5
395.28632	1.4
461.29138	2.2
479.19446	6.0
479.30432	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	479.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39761	0.9
56.39353	1.0
57.03456	1.3
59.01375	6.9
61.98829	2.8
66.97355	1.1
69.19287	1.0
71.01402	2.0
71.62560	2.2
78.95908	11.0
83.05014	1.5
87.00875	3.1
99.08176	3.4
109.13764	1.3
110.98528	10.6
113.09756	2.5
121.02946	2.9
121.97454	1.1
122.03776	1.2
129.09264	5.0
133.02948	2.2
133.38326	1.0
135.04535	2.7
136.05278	1.3
137.18140	0.9
139.11331	1.8
146.98911	1.1
147.04509	2.7
149.09698	1.0
152.99619	2.2
157.79694	1.0
163.03970	1.5
163.11252	1.7
166.53529	1.1
167.01143	3.4
169.12329	3.7
171.10254	4.0
175.71675	1.1
177.01996	1.0
179.03534	1.5
181.12361	4.8
183.13914	2.0
185.02187	10.2
193.12337	2.2
193.49878	1.0
197.11816	11.5
199.10077	1.1
199.13397	6.6
207.10214	1.0
211.13419	16.1
211.27081	1.0
225.11328	3.0
225.14870	1.3
253.09138	1.4
254.04456	1.2
275.20306	1.0
293.21271	15.7
294.21494	1.3
302.90594	1.0
311.22287	100.0
312.22546	11.6
403.12753	1.2
479.24524	30.1
479.30344	1.9
480.24792	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
57.03429	1.3
59.01380	13.2
60.59341	0.6
61.98829	5.5
71.01376	7.7
71.04999	1.1
71.22237	0.7
71.61211	1.1
72.99292	1.3
73.02937	1.8
81.03456	0.6
83.01403	1.3
85.02951	2.5
87.00871	2.9
89.02442	4.9
95.04980	0.6
97.02938	1.5
99.00875	7.5
101.02443	6.5
103.00356	1.1
103.82237	0.6
108.02180	0.6
109.06646	0.7
110.03705	0.6
112.98779	1.0
113.02454	2.4
119.03490	1.1
119.04993	1.5
120.01270	1.0
121.02901	0.6
123.08117	0.7
124.01696	0.7
125.02448	1.3
125.09723	3.0
127.11305	1.1
127.21463	0.6
134.03696	1.4
135.04546	4.1
136.01636	0.8
136.07602	0.8
137.02438	1.8
145.02931	0.8
149.00906	1.8
150.03215	1.7
151.00375	1.3
151.03955	1.0
152.01115	1.1
161.02446	1.4
161.04567	1.6
163.04010	1.6
163.11282	4.4
165.05644	1.3
165.82994	0.6
171.10233	0.7
171.51491	0.6
171.94135	0.6
175.04010	0.6
178.99953	0.9
179.03479	2.5
181.12352	14.1
182.12651	0.7
193.05045	1.0
197.11812	2.3
199.13390	35.0
200.13705	2.3
207.10263	22.6
208.10561	1.3
225.11320	47.9
226.11650	2.7
227.03595	0.7
243.12366	15.4
244.12785	0.9
253.09288	2.7
299.02036	1.0
299.18600	0.8
303.12201	0.8
317.10391	3.4
317.15979	1.4
347.24347	4.0
362.90271	0.7
461.20261	8.2
462.20343	0.9
479.21283	100.0
479.32361	4.1
480.21674	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	479.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.2
61.98819	3.3
68.99809	9.3
69.30245	1.5
69.30643	7.6
71.01385	4.8
72.99309	3.4
73.02950	1.5
78.95889	1.2
83.04996	1.3
84.99321	5.6
85.02950	3.3
87.00875	34.9
89.02437	1.2
93.03458	49.7
94.03801	1.7
97.76128	0.8
101.02429	2.6
103.00365	4.0
108.02202	1.6
111.56345	0.8
112.98813	100.0
113.02414	1.3
113.99138	2.7
117.03449	1.4
119.05024	3.9
121.02987	4.5
123.04520	1.4
130.99858	8.2
133.02870	2.3
134.03670	0.9
135.04550	7.7
137.02446	75.6
138.02768	3.3
145.02940	3.3
149.00919	2.3
149.02354	1.8
151.03963	1.0
161.02422	2.7
161.04501	1.0
163.04005	15.6
164.04285	1.3
165.05472	0.9
165.12845	6.8
177.01907	7.2
178.02643	1.4
179.03523	6.4
183.13882	20.3
184.14334	1.4
187.03880	0.9
197.15514	1.2
199.58839	0.9
203.03523	1.2
207.02977	2.7
209.11830	1.4
219.03052	1.2
225.14963	1.1
227.12894	25.9
228.13165	1.8
251.01941	27.6
251.12752	1.2
252.02200	0.9
267.19711	4.9
269.03079	1.0
269.13992	1.7
283.06134	1.5
293.02948	2.3
293.17392	2.1
311.18588	3.4
359.13629	5.2
461.28845	1.1
471.95874	1.0
479.20340	5.7
479.30096	6.0
480.58252	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24718	2.0
51.34544	1.8
56.39171	1.8
58.00586	2.1
59.01376	25.9
60.99313	16.3
61.98824	5.8
71.01370	7.5
72.99315	4.3
73.02905	2.8
78.95904	7.1
84.99300	1.7
85.02963	4.3
87.00879	10.1
88.98810	100.0
89.02454	1.8
91.62996	1.8
91.96259	2.0
96.96970	3.7
101.02428	4.8
103.00391	11.6
109.02930	2.9
112.98803	13.7
113.02451	2.5
130.99855	6.0
133.02989	3.8
134.03809	3.8
135.04530	44.8
136.01697	2.4
136.04782	2.4
137.02431	8.0
139.00368	2.0
139.04048	2.4
147.02446	1.8
148.90968	2.1
149.00941	3.8
149.06044	2.4
150.03246	15.5
161.02429	10.0
163.04016	3.7
165.05562	14.3
170.02882	1.6
177.05646	2.5
179.03499	38.5
180.03937	3.1
183.13858	4.4
185.11815	4.4
191.03481	2.2
197.95216	1.8
203.03516	2.8
211.13351	3.2
219.03000	11.8
227.12906	8.9
247.45673	2.1
287.05371	1.8
293.03049	11.1
302.07883	2.1
317.10272	16.2
317.13034	4.2
321.18472	1.9
417.15320	2.6
461.14615	2.7
479.14728	9.4
479.21429	2.2
479.30768	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	479.1559
Annotation	Paeonin B
Peak:m/z	Relative Intensity
57.03432	1.0
59.01141	0.7
59.01385	10.0
61.98832	5.5
71.01377	3.4
71.62638	0.8
72.99309	1.8
73.02939	1.6
75.00894	0.7
78.95911	2.1
83.01424	0.7
83.05012	0.8
85.02954	1.9
87.00874	4.2
89.02450	1.1
93.03488	0.6
99.00857	1.3
101.02440	1.5
103.00366	2.6
108.02225	0.9
109.02955	2.3
109.24770	0.6
112.98811	2.4
113.02467	1.0
119.05039	1.4
121.02896	0.8
123.00893	3.1
124.01665	7.1
125.02460	5.3
130.99832	1.0
134.03740	0.8
135.04526	4.8
135.52235	0.5
136.01666	16.5
137.02452	14.7
138.03197	0.6
139.02937	0.8
139.03999	5.5
145.02985	1.0
149.00951	2.0
149.02458	4.7
150.03230	58.8
151.04044	6.8
152.01289	0.8
152.99593	0.6
158.03754	0.6
161.02411	1.5
161.04575	0.6
162.03235	2.1
163.04010	3.5
165.05573	40.7
165.12941	0.6
166.05876	1.9
175.04013	1.5
177.05595	1.6
178.29716	0.6
179.03442	3.1
183.13898	2.4
201.05388	0.7
203.03465	0.9
209.11855	0.7
211.13489	0.7
215.07225	0.7
227.12779	2.8
241.05096	1.1
269.04568	2.1
270.05298	1.4
271.06168	0.8
274.16064	0.6
284.06888	0.8
287.05676	6.7
302.07938	19.2
303.08212	1.8
317.10291	100.0
318.10623	8.9
347.24384	8.1
348.24622	1.1
359.16754	0.9
417.15286	1.4
431.35706	0.6
435.16516	1.1
461.14468	1.0
479.15424	13.8
479.31610	1.4
480.16037	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	479.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23676	0.7
56.30754	0.7
57.03441	1.1
59.01384	10.1
61.98833	8.8
68.76128	0.7
69.38933	4.9
69.39341	1.6
71.01396	4.3
72.99301	2.4
73.02932	2.0
78.95904	3.2
83.01358	0.8
85.02979	1.9
87.00886	5.3
89.02442	2.2
99.00884	0.8
101.02448	3.7
103.00377	2.6
108.02161	0.7
109.02930	2.4
112.98786	2.1
113.02459	2.3
119.04981	1.7
123.00880	2.5
123.04542	0.8
124.01676	5.5
125.02456	6.3
130.27722	0.7
130.99863	1.3
133.02957	1.0
134.03764	1.0
135.04549	6.5
136.01663	12.3
137.01425	1.3
137.02452	20.6
139.04021	4.8
145.02937	1.7
147.04520	0.8
149.00945	4.2
149.02422	5.2
150.03232	55.1
151.04066	6.4
159.04448	0.7
161.02415	2.3
161.04578	1.1
162.03252	1.8
163.03970	4.3
165.05569	37.8
165.12863	1.6
166.05850	2.3
174.70941	0.8
175.04002	1.3
176.08299	0.7
177.05484	1.5
177.09177	1.8
179.03450	4.3
183.13853	4.3
184.14125	0.8
188.49071	0.7
189.05496	0.8
191.03412	0.8
193.05064	1.0
201.05533	1.2
203.03606	1.4
207.00549	0.8
211.13358	1.3
213.05544	1.1
216.07765	0.7
219.02832	0.9
223.13434	1.0
227.12726	4.3
243.06711	0.8
269.04550	1.6
270.05261	1.4
272.03397	0.8
274.15915	1.0
275.16495	0.9
275.87494	0.8
287.05594	6.1
302.07935	20.9
303.08142	1.5
317.10284	100.0
318.10635	9.1
347.14905	1.0
347.24329	3.8
373.16751	1.0
417.15680	1.4
435.16418	1.2
461.14313	1.3
479.15231	14.1
479.31012	1.7
480.15671	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	3.0
69.53560	8.6
69.53964	3.8
71.01383	9.9
71.05027	23.2
78.95914	2.0
88.04039	16.6
93.08891	1.7
96.96030	1.8
98.02455	1.9
98.03051	1.5
98.20594	2.5
106.60928	1.8
108.36432	1.5
126.09258	9.8
128.07179	82.6
129.07538	1.9
132.71657	1.5
144.03001	4.9
146.08257	8.8
163.11238	2.9
166.00755	1.9
185.02133	2.3
200.09282	100.0
201.09569	6.7
218.10318	13.6
253.21698	1.9
277.21710	92.9
278.22052	8.9
311.43076	1.8
478.31702	49.0
479.31842	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	479.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60915	3.1
59.01381	77.4
61.98834	57.2
63.26737	3.4
68.26188	4.1
71.01389	59.9
72.99315	5.3
73.02925	9.3
75.00884	5.9
81.93006	2.8
83.01369	4.8
85.02954	10.6
86.00340	3.2
87.00869	12.7
89.02448	64.0
90.88601	3.3
96.96027	14.0
96.96944	3.8
97.02967	11.7
99.00865	10.4
99.92609	6.4
101.02446	19.1
101.34064	3.6
108.08762	3.2
110.02425	3.8
112.04032	8.7
113.02448	13.1
115.04050	5.0
115.92116	4.3
116.92855	12.8
119.03471	11.2
119.04987	11.8
119.95621	3.0
120.04551	4.0
122.06063	4.5
123.04464	4.7
124.04000	4.9
124.37799	3.3
125.02453	28.3
131.03461	8.9
135.04550	6.1
138.05528	3.7
140.07234	3.3
143.03496	3.8
148.04016	21.2
149.04521	10.2
150.05672	6.1
151.06075	5.2
161.04549	8.1
163.03993	5.9
166.05093	100.0
179.05609	6.1
179.56853	3.2
184.06183	19.5
185.02242	15.8
185.37418	3.1
191.05612	5.0
204.06480	4.7
212.30321	3.4
228.10280	12.8
233.06746	23.0
241.06296	4.2
252.11592	3.9
256.08569	7.5
269.13263	6.4
271.10898	54.6
273.12451	3.9
293.08804	44.4
297.08743	8.5
297.12097	3.9
313.11404	8.0
315.09827	51.2
316.10455	4.7
317.11435	8.2
327.13510	8.6
345.14542	5.4
371.12402	11.9
381.15765	5.3
389.13525	6.9
444.06354	4.3
451.90100	4.5
461.15854	5.5
479.16382	16.7
480.16925	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	478.2938
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
62.96410	0.3
78.95905	100.0
79.07643	0.2
96.96968	7.9
104.21898	0.4
140.01212	0.4
152.99586	17.3
171.00641	18.9
172.00955	0.3
223.99898	0.3
256.74362	0.3
296.54465	0.4
347.06033	0.3
404.25763	1.6
427.20969	0.3
478.29385	62.5
479.29739	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	478.2945
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
59.42661	0.8
61.98838	1.3
62.20848	0.9
71.61875	1.3
78.76394	0.8
78.95907	47.2
80.07384	0.8
90.30294	1.0
95.19765	0.9
96.96971	4.7
124.21508	0.9
140.01189	2.8
145.02946	1.1
152.99597	9.2
170.21568	0.9
171.00659	9.5
196.03709	1.6
214.04828	4.1
251.20168	2.4
276.74265	0.9
281.24878	100.0
282.25198	9.9
314.05115	0.8
337.12924	0.9
404.25549	1.1
478.29376	35.0
479.29678	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01662	0.9
57.03455	1.7
59.01382	83.7
60.95740	1.4
61.98833	14.1
70.10327	1.0
71.01384	14.4
71.61822	1.2
71.69559	1.1
72.00920	1.5
72.99303	2.1
73.02959	4.7
74.02479	1.0
75.00877	13.2
81.02209	1.4
82.02990	4.7
82.06644	1.4
83.01427	1.3
83.02511	14.9
84.00919	9.5
85.02953	4.7
87.00893	6.0
88.98800	1.9
89.02453	13.1
89.03580	3.3
93.03477	1.6
96.00922	7.0
97.02939	1.2
98.02485	12.8
99.00907	2.0
99.05614	6.4
101.02447	9.6
103.00373	1.1
109.02946	3.5
110.02473	12.1
112.04050	5.7
113.02441	6.8
119.03529	2.8
119.05031	2.5
121.02933	2.3
125.02487	1.3
130.08739	45.9
131.03467	1.6
131.09030	1.3
132.04214	1.4
135.04546	6.2
136.04044	1.3
137.02431	1.0
138.09253	16.4
139.08675	1.6
143.11888	1.2
147.04900	1.4
147.05946	7.4
149.00935	8.3
149.04614	2.5
149.06081	1.7
150.01337	1.3
154.01479	4.5
159.04512	1.3
161.04567	8.0
163.04002	2.6
169.09792	8.1
179.03482	3.5
179.11877	2.4
180.05411	3.2
184.06134	2.3
187.05415	13.8
187.10886	3.2
190.05075	1.4
191.05600	1.5
195.11398	1.4
197.09814	2.4
203.03699	1.1
205.09827	4.9
219.02974	1.2
223.10902	10.8
231.13463	1.9
257.11740	1.8
267.09857	100.0
268.10162	6.0
284.07111	3.8
291.89758	1.1
293.11453	2.2
301.10968	4.9
302.08133	1.2
311.12448	12.1
312.12848	2.0
327.13452	6.6
345.09799	2.5
345.15375	2.0
357.10968	2.0
389.12732	3.3
415.16556	56.6
416.16965	6.5
417.25015	8.6
459.19153	23.6
460.19769	2.3
477.14481	4.2
477.20267	3.0
484.73175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66053	64.7
61.98815	100.0
63.88192	61.6
64.03475	74.9
71.47084	95.7
71.47434	69.3
78.27901	87.2
87.54249	65.6
93.63819	70.0
108.06339	72.9
201.95772	97.7
245.80048	72.2
402.53073	68.9
431.86093	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.6
61.98832	100.0
67.60296	0.4
71.00199	0.8
71.01380	5.1
73.02950	8.4
83.01380	2.1
101.02452	4.8
103.73919	0.4
112.98835	0.4
113.02479	1.2
118.29665	0.4
122.03896	0.4
125.02479	1.1
135.04550	0.5
143.03526	1.2
155.03519	0.8
167.10774	9.6
168.11166	0.6
171.10362	0.6
181.12318	0.5
191.10826	3.0
209.11870	2.4
210.12247	0.4
221.11905	0.6
229.48039	0.4
338.57794	0.4
357.46793	0.4
383.82584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.2
59.01091	1.9
59.01380	31.2
61.98828	3.3
64.33685	0.9
66.30923	0.8
70.38054	1.0
70.38395	3.6
71.01385	16.8
72.99304	6.1
73.02941	3.0
75.00878	11.0
77.05093	0.8
83.01379	1.6
85.02950	19.3
87.00893	8.9
89.02435	6.5
93.03472	1.2
95.01370	5.1
99.00859	8.1
101.02437	2.7
103.00359	5.6
107.23366	0.9
109.02945	1.3
112.98808	5.9
113.02450	19.4
115.00332	2.4
117.01935	2.9
129.01971	1.2
130.99870	2.8
133.02992	1.8
134.03728	1.9
135.04518	15.8
137.02444	1.8
143.04791	0.9
145.90591	1.2
157.01398	1.1
160.84610	0.9
161.02457	3.2
163.04021	1.6
165.12859	8.2
167.52940	0.9
175.02493	2.9
179.03491	14.7
181.12570	0.8
183.13895	77.5
184.14281	4.2
205.07103	2.2
209.11859	1.7
219.02998	2.0
227.12888	4.1
249.06142	4.0
255.27094	0.9
267.07196	3.6
271.02521	1.0
279.97903	0.9
293.02979	3.1
300.02640	2.2
301.16562	5.4
315.05127	2.8
315.10876	2.3
392.90112	1.2
415.19708	7.2
416.19809	1.1
435.25375	1.0
459.18726	2.6
477.19757	100.0
478.20123	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	477.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.1
59.01381	74.7
61.98827	13.1
71.00191	1.7
71.00544	1.5
71.01375	13.0
72.00903	1.6
72.99300	2.6
73.02946	5.0
75.00869	9.8
82.02979	2.2
82.06589	1.2
82.35860	1.2
83.01408	3.1
83.02509	15.1
84.00904	11.7
85.02944	4.3
87.00871	5.0
89.02442	12.4
89.03560	2.7
94.51252	1.2
96.00909	6.7
98.02493	10.7
99.00894	3.4
99.05647	7.6
101.02454	10.1
103.00336	1.7
109.02967	2.4
110.02477	12.9
112.04052	6.5
112.98841	1.3
113.02480	7.0
113.03125	1.2
119.03496	2.9
119.04996	2.9
121.02939	1.7
122.06151	1.4
130.08739	45.9
131.09073	2.1
132.04108	1.7
133.02930	1.4
134.03772	1.3
135.04510	5.1
138.05632	1.9
138.09253	18.6
139.08749	1.2
147.04518	1.4
147.05945	5.7
149.00943	9.2
149.04527	4.4
149.06096	1.8
154.01428	5.1
159.04333	1.3
161.04562	8.9
163.03995	1.7
165.05630	1.4
166.08759	1.6
169.09818	8.0
177.10321	1.8
179.03452	2.7
179.05629	2.3
179.11853	3.8
180.05350	2.9
187.03912	1.7
187.05466	17.1
187.10875	3.9
190.70161	1.2
191.03468	1.2
195.11375	1.3
197.09720	2.3
204.06590	1.3
205.09807	4.0
222.18985	1.2
223.10976	8.3
231.13451	2.0
257.11612	1.9
267.09848	100.0
268.10114	6.9
271.02670	2.0
274.38489	1.3
284.07159	2.5
293.11163	1.3
301.10828	4.9
311.12512	12.6
315.08862	1.3
327.13443	4.3
331.70941	1.1
343.12842	2.7
345.09525	2.2
345.15567	3.3
389.12924	2.4
411.26141	1.2
415.16568	56.9
416.16693	4.6
417.25317	6.9
459.19196	23.5
460.19464	3.2
477.14572	3.8
477.20374	2.9
477.27161	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1401
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
57.88033	0.6
58.00603	0.9
59.01380	35.4
60.01715	0.7
61.98824	2.1
68.99843	0.8
71.01365	3.1
72.99306	2.1
73.02940	0.8
75.00880	3.1
83.01391	0.8
84.99320	2.3
85.02959	1.7
87.00874	15.6
89.02473	0.9
91.07124	0.6
98.20644	1.8
99.00922	0.9
101.02455	1.5
103.00376	15.7
107.05026	2.1
109.02967	3.9
111.00854	1.2
112.98817	21.2
113.02480	1.5
117.03481	1.2
119.05056	1.5
127.00387	3.0
130.99866	15.0
133.02953	5.3
134.03752	7.6
135.04527	100.0
136.04825	3.5
137.02440	3.6
139.00391	3.4
145.02953	1.3
147.04510	1.0
149.06065	1.2
151.04005	0.8
159.04506	1.5
161.02449	17.6
161.04485	1.1
163.04002	7.5
173.02422	1.0
177.05568	1.5
179.03500	82.9
180.03868	4.7
183.10252	1.7
183.14043	0.7
187.04079	0.9
190.02756	0.9
191.03520	4.1
205.04997	1.0
211.32986	0.6
219.02980	20.2
220.03206	1.1
221.04562	1.0
223.71045	0.6
231.02927	2.6
255.02925	1.0
269.17838	0.9
271.02457	1.9
275.01892	1.7
293.03024	19.7
294.03436	1.8
299.01978	0.7
300.02728	4.8
301.03421	0.7
315.05194	4.3
315.10864	16.8
316.11337	1.4
345.22668	0.9
345.26450	1.2
448.96182	0.6
477.10086	1.5
477.30792	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	477.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15154	0.9
58.00580	1.5
59.01380	57.8
61.98836	5.9
68.19880	0.9
69.41782	6.8
71.01381	6.0
72.99318	3.7
73.02962	2.3
74.89051	0.8
83.01370	0.9
84.99319	1.9
85.02939	1.9
87.00878	20.4
89.02443	3.1
95.35312	0.8
96.95995	2.0
98.20774	0.9
99.00874	1.2
101.02443	3.8
103.00375	28.9
103.01049	1.8
107.05034	2.3
109.02956	5.3
112.07813	0.9
112.98813	21.3
113.02474	2.2
119.05045	2.9
121.02943	1.6
123.04495	1.4
127.00398	4.9
128.03462	0.9
130.99866	19.8
133.02962	7.1
134.03728	7.9
135.04529	100.0
136.04889	3.9
137.02458	6.7
139.00352	3.8
139.03036	0.9
145.02982	1.8
147.04572	1.3
149.00937	1.8
149.06085	1.3
161.02449	17.7
161.04517	1.5
163.03992	9.1
179.03500	72.1
180.03836	2.9
183.10272	5.0
191.03468	3.4
198.51895	1.0
205.05136	1.2
219.02989	19.8
220.03252	1.2
221.04572	1.2
225.11096	0.9
231.02956	3.5
249.04091	1.0
271.02612	1.3
271.10938	1.2
275.01962	1.7
293.03030	21.9
294.03281	1.8
300.02631	1.8
315.05255	1.5
315.10843	36.0
316.11270	2.6
338.98401	0.8
345.13455	3.5
345.22717	1.4
345.26404	1.3
374.23242	0.8
378.18579	1.0
417.24905	2.8
477.14038	1.5
477.29584	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	477.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62102	0.5
57.03453	5.2
57.13107	0.5
59.01380	22.9
61.98831	6.2
63.02390	0.6
65.00330	7.1
69.03468	0.6
69.43880	0.9
69.44280	3.4
71.01384	6.6
72.99311	1.7
73.02950	1.4
74.99127	0.6
75.00868	4.0
79.01880	0.7
81.03466	2.7
83.01386	13.6
85.02953	1.2
87.00877	2.9
88.04042	0.5
89.02442	4.6
93.03465	2.1
95.01403	0.9
96.95998	1.0
97.02951	1.7
99.00890	0.8
101.02445	3.6
107.01394	13.3
109.02957	2.3
112.98824	0.5
113.02453	2.5
116.71459	0.5
116.92862	1.4
118.98084	0.8
119.03517	1.8
119.05035	2.1
121.02985	2.5
123.04532	1.8
123.22638	0.5
124.01652	2.0
125.02448	43.3
126.02785	1.8
127.03963	0.6
128.03557	0.6
131.01399	1.0
133.03015	0.5
135.00853	0.6
135.04527	3.3
136.04050	1.4
136.07703	0.5
137.02448	2.0
137.06035	0.6
138.05605	6.0
139.04024	1.4
144.85747	0.5
146.08211	0.5
149.00917	2.5
149.02419	1.6
149.04514	0.5
149.99506	0.6
150.03194	0.6
151.00371	69.6
152.00734	2.1
153.01939	3.4
153.05542	0.7
161.02444	0.6
161.04558	1.6
161.60507	0.5
163.04062	1.1
164.03529	8.1
165.01927	1.0
166.05101	0.9
167.03493	2.0
168.00623	2.0
169.01431	21.1
170.01762	1.2
175.00363	6.7
179.03531	1.8
179.05611	1.8
181.05145	0.6
189.05518	0.8
193.01414	6.5
197.04620	0.7
203.57478	0.5
204.06601	0.6
211.02490	1.4
211.06165	0.6
213.09143	0.6
223.02499	0.7
237.09213	2.2
241.08635	0.6
267.10318	1.1
301.10898	1.5
315.12241	0.6
315.15839	0.6
315.77087	0.6
327.13324	1.0
345.09674	3.7
346.09726	0.7
459.11578	0.7
477.12445	100.0
478.12482	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	477.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.8
59.01381	9.6
60.16511	0.6
61.98830	16.2
63.02400	0.8
65.00327	5.7
69.51622	2.0
69.52049	1.9
70.02970	0.6
71.01389	2.8
72.99315	0.7
73.02960	0.5
73.84576	0.4
75.00871	0.9
78.07322	0.5
78.39235	0.5
78.95889	0.5
81.03456	1.5
83.01393	12.8
85.02950	0.7
89.02468	1.4
96.96004	1.4
97.02949	1.4
98.19904	1.2
99.00852	0.8
101.02448	1.1
107.01388	10.3
108.02222	0.6
109.02973	2.8
113.02452	1.0
119.05048	1.0
121.02917	1.8
122.06120	0.7
124.01652	1.5
125.02451	38.5
126.02808	1.1
131.01358	1.0
134.04736	1.5
135.04512	2.0
137.02422	1.3
138.05573	2.5
139.03998	1.2
142.93750	0.5
149.00951	0.6
149.02429	1.9
151.00372	60.5
152.00760	2.1
153.01961	2.3
163.03995	0.8
165.01909	0.7
165.05534	0.7
166.05103	2.6
167.03525	2.3
168.00648	2.1
169.01434	19.3
175.00368	5.4
179.03497	1.0
191.03333	0.7
193.01428	5.7
195.02983	1.6
205.01410	1.1
211.00102	0.9
211.02460	2.0
211.55754	0.5
217.01573	0.7
223.02313	0.6
224.22067	0.5
230.87027	0.5
249.44751	0.5
255.05095	1.7
256.08298	7.4
257.10962	0.7
272.42764	0.5
283.09708	0.6
300.39029	0.5
315.07227	1.8
345.09662	1.6
407.72897	0.5
417.10205	0.7
418.90237	0.6
477.12476	100.0
478.12787	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	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.0
61.98824	1.2
69.30798	4.5
71.01380	1.5
79.81842	0.4
81.10315	0.5
83.01410	0.9
85.02951	1.1
87.00878	0.8
89.02451	1.2
98.19900	0.8
103.00356	0.4
107.01377	0.9
109.02966	0.6
113.02452	1.0
133.02980	0.8
135.00879	0.5
135.04509	3.7
136.04781	0.7
145.02995	0.5
151.00397	1.6
163.00320	0.8
171.04424	0.8
175.03963	0.9
187.04094	1.1
197.11856	1.1
199.04024	4.4
201.01851	1.2
203.03441	0.6
215.03447	2.5
226.02644	2.3
227.03477	3.5
242.02090	0.6
243.02975	7.4
244.03409	0.7
254.02139	1.5
255.02939	2.8
271.02472	73.4
272.02875	6.8
282.01715	0.5
299.01965	100.0
300.02628	32.7
301.03131	2.2
313.03363	0.7
314.04272	1.8
315.05090	71.3
316.05399	5.9
345.09842	0.6
345.22690	0.9
357.06097	1.4
417.24637	0.7
462.08035	17.6
463.08252	2.5
472.88373	0.5
477.10370	65.1
478.10684	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	476.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.01033	5.9
70.89225	18.0
84.14536	6.5
87.58466	6.0
96.96017	11.7
121.13821	7.2
150.02168	6.3
201.18372	6.7
224.56512	7.8
282.25159	7.9
476.29871	8.5
476.37762	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.9
60.12820	0.2
61.98819	0.9
71.01392	1.5
73.02920	0.7
83.01395	0.3
85.02941	0.5
87.00874	0.8
89.02428	0.9
98.24728	0.3
101.02438	1.0
103.00384	0.3
107.01383	0.7
108.02169	0.8
110.37055	0.2
110.77547	0.2
112.98794	0.4
113.02437	0.8
118.71761	0.3
118.98034	0.3
135.00842	0.3
135.04541	1.6
148.01659	0.7
149.00917	0.3
149.04610	0.4
151.00410	1.5
158.05113	0.3
159.04614	0.3
161.02486	0.4
161.04620	0.6
163.00381	0.5
163.04059	0.5
179.03493	1.0
183.04475	0.4
187.03941	0.3
194.41039	0.3
199.03941	1.2
215.03464	0.5
216.04257	0.5
217.38573	0.3
226.02766	0.8
227.03477	2.3
243.02966	7.1
244.03471	0.8
254.02242	1.8
255.02971	17.5
256.03357	1.4
268.73767	0.3
271.02466	39.0
272.02872	4.0
273.03510	0.4
299.01959	9.6
300.02740	100.0
300.99622	0.4
301.03094	9.5
315.05093	90.1
316.05399	7.5
345.22650	1.5
362.92020	0.3
391.23199	0.4
417.24844	0.5
462.07767	1.8
477.10388	30.7
478.10623	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	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
58.00613	1.3
59.01379	100.0
60.01719	2.0
61.01796	1.1
61.98828	11.2
68.79353	0.9
69.03461	1.2
69.70836	1.8
69.71249	4.9
71.01389	12.8
72.01701	1.3
72.99307	11.4
73.02939	6.0
74.02465	1.1
75.00872	1.8
78.04164	0.8
82.51760	0.8
83.01402	2.5
83.05013	1.5
85.02955	4.4
85.10897	0.9
87.00877	33.3
89.02448	7.0
93.03473	3.4
97.02980	1.2
99.00908	1.4
101.02462	7.2
103.00390	8.5
105.01917	2.9
108.02171	1.8
109.02975	2.4
112.98791	2.0
113.02447	5.8
115.00373	1.1
119.03508	2.4
119.05020	5.4
120.01228	1.7
121.02905	1.5
125.02432	2.1
130.99858	4.3
133.02953	2.4
134.03734	2.1
135.04530	17.9
137.02431	1.3
138.05658	1.0
139.04013	1.3
142.50778	0.9
143.03484	1.1
145.02956	1.8
149.00922	89.4
149.06088	4.5
150.01268	1.8
151.03983	1.0
160.01683	1.9
161.02379	2.1
161.04575	3.6
163.03993	1.4
171.10272	1.4
175.02513	1.4
175.03975	1.8
176.04291	1.1
179.03487	3.6
182.07390	7.7
195.08153	2.0
197.09741	45.9
197.11761	6.3
198.10039	4.4
201.11159	1.8
211.11285	5.8
211.13031	1.0
213.12878	10.8
222.95236	1.0
227.10750	3.0
229.14467	1.7
245.11774	1.9
253.18039	1.1
257.11798	11.0
258.12109	1.2
271.02405	1.8
272.03201	2.2
293.03009	1.0
300.02719	2.6
301.10803	82.4
302.11151	8.6
315.05139	2.6
315.08737	2.6
345.09802	24.7
345.22763	23.4
346.10043	2.7
346.23163	1.6
417.24905	4.0
433.28152	2.0
477.09592	4.7
477.19693	3.1
477.30746	4.1
478.26785	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89586	0.4
59.01357	0.4
59.57502	0.3
61.88055	0.4
61.98835	0.6
71.59647	0.4
83.88640	0.3
86.02483	8.6
87.44883	0.3
88.04044	0.7
90.37311	0.3
93.03461	2.7
101.02415	0.5
106.04232	1.1
113.36039	0.4
119.05026	12.7
120.05367	0.5
138.35295	0.4
147.98865	0.4
148.07730	0.6
161.04585	0.5
163.04012	21.7
164.04330	1.0
194.08221	100.0
195.08591	6.1
270.74438	0.5
280.05197	0.5
349.08569	0.5
446.21594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74440	0.3
63.36414	0.3
63.74899	0.3
69.44494	0.3
70.94057	0.4
70.94371	0.7
78.95905	100.0
86.50872	0.3
96.96973	8.2
152.99594	17.2
171.00644	19.3
217.96693	0.3
226.30087	0.4
402.24246	2.2
412.60352	0.3
420.30969	0.3
476.27823	62.9
477.28180	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	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.5
68.36572	0.3
73.72315	0.3
78.95905	52.1
96.96970	4.2
140.01186	2.3
152.99585	8.7
163.40984	0.3
171.00641	9.4
196.03799	1.5
214.04863	2.9
214.64191	0.3
230.50616	0.3
232.06346	0.3
239.20329	0.5
240.20593	0.4
261.22272	0.5
279.23279	100.0
280.20590	0.5
280.23633	9.3
355.64481	0.4
402.24033	1.0
424.81149	0.4
476.27814	36.4
477.28162	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	476.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01381	22.7
60.01704	0.5
61.98836	6.9
70.83982	0.4
71.01388	4.1
72.99294	1.1
73.02942	1.4
75.00862	0.9
83.01382	0.6
85.02960	1.2
86.02480	8.0
87.00880	4.7
88.04018	2.1
88.98800	3.4
89.02456	3.5
91.05544	1.6
93.03447	1.8
95.01396	0.5
99.00886	0.5
101.02455	2.7
103.00376	0.8
103.81353	0.5
105.18150	0.5
107.05043	3.9
108.02176	0.8
109.02953	7.1
111.00862	0.6
112.98799	0.8
113.02443	1.2
117.03471	0.6
119.03478	0.7
119.05032	2.0
121.02978	3.9
122.03764	7.9
123.04535	11.5
124.01662	0.8
134.03743	2.7
135.04527	58.0
136.04897	2.3
137.02420	1.9
145.02950	0.8
148.07687	1.4
149.00896	7.4
149.04622	0.8
149.06004	0.4
150.05592	1.1
151.07610	0.9
153.02072	0.4
153.05591	0.6
154.02696	1.4
161.02357	1.0
161.04579	1.8
161.05907	0.4
163.03976	1.3
164.07147	1.8
166.05092	0.6
175.03976	0.9
176.04379	0.7
179.03493	37.8
179.10747	0.5
180.03888	2.8
197.09697	1.9
200.49744	0.5
202.02740	1.0
210.07712	100.0
211.08052	5.8
213.11229	0.8
217.20335	0.5
219.02841	0.5
229.52789	0.6
241.08713	0.7
241.14545	0.7
256.10544	0.5
257.11862	1.1
278.03656	0.5
278.08176	0.6
279.12433	1.7
300.02814	0.7
300.09457	0.7
301.10733	3.5
315.05081	0.8
329.11420	0.8
345.09778	1.3
345.15652	1.4
354.11957	2.0
369.33987	0.5
415.23410	0.7
416.23666	1.7
442.81741	0.5
476.15652	14.9
476.26346	0.9
477.15683	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01714	1.1
69.67182	2.8
71.01387	2.5
73.02950	0.4
85.02961	0.5
87.00857	0.5
89.02467	1.5
89.40556	0.4
99.98485	0.4
100.80974	0.3
101.02448	2.4
104.70496	0.4
112.98838	1.1
113.02480	1.4
119.03531	0.6
119.05000	0.5
122.31561	0.4
135.04530	0.9
161.04637	0.8
195.13893	4.7
196.14220	0.4
239.13010	0.6
343.25153	0.8
355.21509	1.3
373.22217	3.7
415.23196	3.1
416.23682	0.4
475.21613	3.4
475.27786	0.5
484.95633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3791
Annotation	Fasciculol A
Peak:m/z	Relative Intensity
59.01372	1.4
61.98836	0.5
67.93880	0.5
68.36017	0.6
70.14186	1.4
70.14599	1.1
78.95905	1.1
96.96125	0.5
98.19930	0.7
117.03445	0.8
171.13390	0.6
303.81912	0.7
358.80643	0.6
417.33743	19.2
418.34143	3.1
475.37994	100.0
476.38300	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	475.3795
Annotation	Fasciculol A
Peak:m/z	Relative Intensity
57.03461	0.6
57.29606	0.4
59.01386	0.9
71.61676	0.7
78.95907	0.7
119.05041	0.6
145.03011	0.7
179.46152	0.5
273.79132	0.5
279.23282	1.0
399.32700	0.7
402.17038	0.5
417.33774	19.1
418.34091	3.1
475.37997	100.0
476.38287	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	476.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14865	0.5
57.03734	0.5
59.01382	2.9
61.98828	1.5
61.99156	0.5
63.38890	0.5
69.49137	4.4
71.01382	1.1
73.02972	0.6
80.98747	0.6
83.01398	0.6
85.02955	0.5
89.02439	0.9
98.20598	0.8
109.02987	0.9
119.05062	0.8
121.02948	0.8
125.00607	0.6
125.02455	1.3
130.06935	0.7
135.04544	2.0
136.01682	0.9
136.04861	0.7
139.99377	1.4
141.00171	9.1
145.42706	0.6
149.00925	1.5
149.02461	0.6
151.00433	1.4
151.99393	4.0
153.00209	2.6
155.01700	0.7
167.01793	3.3
168.99669	10.3
170.00446	75.3
171.01237	25.8
172.01656	0.6
179.03615	0.8
179.05563	0.6
181.04997	0.8
183.01187	4.4
185.02789	100.0
186.03122	4.9
197.02850	0.6
199.00786	0.7
213.02336	1.5
214.02979	1.6
227.07053	0.6
245.04889	0.7
255.10379	0.8
256.10489	0.7
257.11719	0.6
286.22598	0.6
287.06021	0.8
301.10449	1.0
314.07019	1.6
331.05042	0.8
332.05667	9.0
333.06018	0.6
345.09818	0.9
347.08047	84.2
348.08414	7.2
476.12134	4.1
477.12396	3.3
477.49103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01379	100.0
60.01710	1.3
61.32077	0.3
61.98831	1.1
64.18815	0.3
70.01155	1.4
71.01383	1.9
72.99304	0.4
73.02945	1.0
83.01374	0.3
85.02952	0.9
87.00852	0.5
87.54884	0.3
89.02448	0.7
93.03477	0.4
94.58079	0.3
98.19909	0.4
99.00922	0.5
101.02475	1.1
103.00405	0.3
112.98798	0.5
113.02450	0.9
119.03490	0.4
134.03793	0.3
135.04517	1.5
147.04541	0.7
147.52811	0.3
161.04572	0.4
176.33009	0.4
177.12738	0.4
179.03490	0.6
266.42447	0.4
271.09650	0.8
298.05020	0.3
327.21750	0.6
343.25018	0.6
373.22290	0.5
415.23291	1.5
433.20566	0.5
475.26093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58105	0.4
59.01382	100.0
60.01711	2.0
69.37318	3.7
71.01386	5.7
73.02955	3.2
83.01402	0.9
84.42351	0.4
84.42863	0.4
85.02975	1.9
87.00894	1.3
89.02444	3.0
93.03477	0.6
95.01378	0.5
95.79437	0.4
98.20635	0.9
99.00901	0.6
101.02447	4.3
112.98830	0.4
113.02489	2.8
119.03544	1.3
125.02466	0.5
129.47992	0.4
132.53397	0.4
135.04500	0.9
137.02495	1.2
137.52673	0.4
149.00925	0.5
158.79556	0.4
161.02370	0.6
161.04588	1.6
163.04102	0.5
179.03613	0.6
179.05727	0.5
415.23474	2.3
415.28754	0.6
433.24536	0.7
476.68018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03449	0.8
59.01377	100.0
60.01710	1.2
69.03456	0.6
70.57529	0.6
70.92906	1.6
71.01382	22.5
72.58276	0.6
72.99306	0.9
73.02943	17.5
75.00881	0.6
81.03453	0.7
83.01386	5.6
85.02940	6.0
87.00877	3.3
87.04535	1.4
89.02452	10.5
95.01402	2.2
99.00890	1.2
99.04539	0.7
101.02442	20.2
101.06076	1.3
113.02444	14.8
119.03496	4.4
119.05026	0.7
125.02480	1.6
131.03517	1.8
135.04588	0.6
143.03510	3.6
149.04501	1.4
152.99393	0.6
161.04538	6.0
167.03569	0.8
179.05641	2.9
271.19095	1.6
295.19379	0.8
301.20392	0.6
327.18188	0.7
353.32529	0.6
357.13641	0.9
369.13760	1.0
369.38449	0.6
415.23242	7.5
416.23682	1.3
433.24371	5.0
441.36563	0.6
475.29486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68549	0.3
55.01881	0.6
56.37179	0.3
57.03451	0.9
57.39788	0.3
57.73410	0.3
58.00600	1.0
59.01380	100.0
60.01715	1.1
61.98831	0.8
63.05201	0.3
64.32653	0.3
68.99818	0.3
69.03474	0.6
69.53426	2.0
70.28065	0.3
71.01382	19.2
71.05038	0.5
72.99316	1.1
73.02949	7.9
73.03343	0.5
74.83767	0.3
75.00856	0.3
78.16075	0.3
83.01389	2.6
83.05032	0.3
83.96068	0.3
85.02948	5.4
86.02255	0.3
87.00878	2.6
87.04510	2.2
89.02447	11.0
90.02789	0.4
93.03484	0.5
95.01399	1.2
97.02951	0.5
99.00895	1.4
99.04506	0.6
101.02443	12.5
101.06105	1.2
103.00387	0.6
107.01393	0.6
107.05067	0.4
107.98991	0.3
109.02975	1.1
111.00871	0.6
112.98830	0.4
113.02445	9.6
114.02861	0.3
117.03466	0.8
119.03502	3.6
119.04987	2.1
120.01280	0.4
121.02982	0.8
123.04561	0.9
125.02435	0.7
125.06144	0.5
131.03496	0.6
133.03024	0.4
134.03764	0.5
135.04518	2.2
136.04849	0.6
137.02434	0.5
143.03499	1.8
143.04503	0.3
145.02945	3.4
149.00925	1.8
149.02034	0.3
149.04581	0.4
150.01279	0.4
151.00372	1.7
151.01430	0.4
159.02878	0.4
159.10263	2.5
161.02499	0.5
161.04565	4.4
163.04102	0.5
178.04723	0.4
179.03487	1.3
179.05630	3.2
180.03822	0.7
183.10301	0.6
183.13878	0.6
201.14986	0.9
225.15118	0.4
243.16072	0.4
253.18037	0.4
271.06079	3.2
271.19095	2.6
303.14478	3.1
307.08292	0.4
313.07260	0.9
321.15518	0.7
327.18124	1.6
337.18774	0.3
343.21353	0.5
345.19211	2.4
346.19876	0.4
363.20450	0.6
388.30997	0.4
397.22473	0.4
415.23315	6.9
415.28433	0.4
416.23923	1.0
431.13678	1.0
433.24396	7.5
433.29816	0.6
434.24899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30105	0.2
57.03456	0.2
59.01377	6.2
61.86802	0.2
61.98841	0.5
64.69275	0.2
69.03453	0.4
69.88689	0.7
69.89096	0.5
71.01381	4.6
72.99316	0.5
73.02946	0.7
83.01382	0.3
85.02965	0.6
87.00864	2.0
89.01905	0.5
89.02443	7.4
92.28613	0.3
92.74041	0.2
93.03452	0.7
97.02954	0.8
98.19955	0.5
99.00879	1.5
101.02443	1.3
104.85271	0.3
108.02161	0.9
109.02913	0.7
110.52573	0.2
111.04542	0.3
113.02453	1.1
115.04036	0.5
119.03501	0.6
119.05010	0.7
121.02940	0.9
122.03741	9.4
123.04037	0.5
124.01635	0.4
125.02447	3.9
131.03482	0.9
135.04468	1.5
137.02455	1.1
137.06087	1.7
143.03540	0.3
147.04530	0.4
149.00906	2.5
149.04561	1.6
149.06084	0.2
154.02715	1.1
161.02472	0.3
161.04552	0.4
161.06050	0.3
163.03932	0.4
163.07619	0.6
179.03496	1.1
179.07082	0.3
181.08698	100.0
182.09035	5.3
191.05569	1.2
233.06647	4.0
237.09180	0.8
249.11526	0.3
255.10301	0.7
258.28754	0.3
293.08786	8.5
294.09015	0.6
299.09189	0.8
343.07907	0.7
475.18448	3.7
476.18423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07773	8.3
59.01376	29.2
70.64444	28.0
78.95908	68.4
91.02621	9.5
102.15528	8.8
109.17245	9.7
152.99579	10.2
153.99875	9.8
171.00612	9.6
248.71582	8.7
250.93422	9.1
277.21667	100.0
278.22009	10.9
395.14297	9.9
475.27277	18.8
475.38058	83.9
476.27625	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03449	1.6
58.00598	0.8
59.01382	100.0
60.01692	1.2
61.98842	1.1
69.03484	1.1
69.34679	1.9
69.35101	4.8
71.00990	1.4
71.01385	28.8
72.99284	1.4
73.02951	11.6
75.00910	0.7
83.01393	6.5
85.02955	7.0
87.00884	5.2
87.04542	2.0
89.02450	19.1
93.03466	3.3
95.01403	2.1
96.50054	0.6
97.03032	0.7
97.06666	0.6
99.00890	3.6
99.04585	0.8
101.01776	1.1
101.02448	19.8
101.06071	2.3
107.01410	2.9
112.98821	0.7
113.02448	18.2
119.03538	7.5
119.05030	10.5
121.46030	0.6
125.02499	2.0
131.03510	0.7
131.91263	0.6
135.04597	1.5
143.03523	3.2
149.00914	0.9
149.04581	1.5
151.00374	10.8
161.02365	0.7
161.04530	8.1
163.04079	0.9
167.03525	0.8
168.00740	0.6
177.01964	1.7
178.04791	0.9
179.03546	1.0
179.05592	5.5
225.14917	1.0
227.49652	0.7
255.03049	1.2
271.02823	2.2
271.06110	25.5
272.06573	2.3
290.41360	0.8
300.02774	3.2
313.07452	1.2
327.18286	2.7
343.21417	0.7
414.80640	0.8
415.23441	11.3
415.28610	1.1
416.23853	1.5
433.24487	4.1
475.09100	1.5
475.18619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03455	1.1
57.22259	0.4
58.00588	0.6
58.36953	0.4
59.01380	100.0
60.01717	1.2
61.43194	0.5
61.98823	0.6
70.13673	0.9
70.14079	1.4
70.73582	0.4
71.01384	16.3
71.01759	0.9
71.51003	0.5
72.99312	1.5
73.02957	7.3
74.47732	0.4
79.45302	0.4
83.01392	2.9
85.02953	4.2
87.00880	5.5
87.04519	2.0
88.01296	0.4
88.95614	0.4
89.02449	9.8
89.03001	0.7
93.03476	0.6
95.01382	1.0
97.02952	0.5
99.00886	1.2
101.01779	0.8
101.02446	11.4
101.06107	1.4
103.00396	1.2
105.01980	0.4
109.02959	1.1
112.98809	0.6
113.02448	9.1
119.03505	4.0
119.05006	2.7
120.01237	0.8
121.06565	0.5
125.02463	0.8
130.99907	0.5
131.03568	0.7
133.02979	1.0
135.04527	9.6
136.04839	3.2
137.02455	0.6
137.05164	1.2
143.03513	1.6
147.04562	0.7
149.00926	13.5
150.01254	3.4
151.01332	4.3
159.10323	2.4
161.02484	1.2
161.04555	5.0
163.04031	2.1
165.05661	0.4
167.03516	0.4
171.19914	0.4
179.03511	8.2
179.05576	2.2
180.03847	4.5
181.04034	2.3
183.10298	0.6
191.03488	0.6
219.03064	1.3
220.03503	0.5
221.03610	0.8
223.13634	0.5
225.15292	0.5
255.09801	0.5
271.19095	2.1
293.03116	0.9
294.03488	0.6
295.03574	1.2
299.09238	1.1
303.14496	2.5
311.04355	0.5
312.04514	1.1
313.04510	2.2
321.15646	0.7
327.14142	0.6
327.18121	1.0
343.08398	0.5
343.21341	1.0
345.19104	3.2
392.60611	0.5
415.23465	4.8
416.24045	0.6
433.24368	5.3
434.24799	0.7
463.08997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08533	1.8
55.30112	1.7
56.98295	2.0
57.03443	3.2
59.01379	70.3
69.31583	18.5
69.34050	1.8
71.01370	6.9
71.35961	1.7
73.02939	6.9
85.02914	2.3
87.00884	7.0
89.02443	4.2
97.06589	2.0
98.58881	1.9
101.02443	6.4
107.81543	1.9
109.02908	2.3
112.98795	13.9
113.02426	5.1
117.03420	1.8
119.05019	4.6
135.04523	5.7
137.02480	2.0
143.03523	2.3
145.03009	2.7
161.04492	3.0
163.03987	2.9
163.32280	2.0
165.12857	27.0
179.03450	4.8
179.05640	2.0
183.13899	77.7
184.14218	5.2
195.13904	41.3
203.03481	3.4
209.11757	5.5
217.29326	1.9
227.12869	100.0
228.13245	5.4
239.12743	3.4
253.09303	3.1
273.32492	2.0
343.24698	7.2
415.23077	2.7
475.21561	28.1
476.22055	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44939	0.4
68.42999	0.3
71.28999	0.4
78.95906	100.0
96.96971	8.1
99.56709	0.3
116.79832	0.4
140.01195	0.5
152.99588	16.7
153.99908	0.5
158.54204	0.3
159.47736	0.3
160.82233	0.3
166.16649	0.3
171.00639	18.2
196.03761	0.9
214.18700	0.3
277.21704	6.1
278.22086	0.5
371.09366	0.3
400.22565	1.7
474.26254	56.3
475.26599	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	475.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68494	0.6
59.01384	7.8
61.01385	0.6
61.98832	0.6
64.67078	0.6
64.75154	0.5
70.92663	1.4
71.01380	2.3
72.99297	1.7
75.00891	0.7
80.29185	0.5
85.02959	1.1
87.00875	8.6
88.69521	0.6
89.02460	2.2
93.03469	2.8
96.96050	1.1
101.02447	1.0
103.00366	1.0
107.05048	0.8
108.02189	1.3
109.02958	13.2
110.03302	0.6
112.98792	0.7
113.02445	1.3
117.03477	0.7
119.05035	20.6
119.05898	1.0
120.05380	1.0
121.02979	1.9
122.03736	1.2
123.04528	0.8
124.01728	0.6
130.99847	0.9
133.02951	6.9
133.06602	1.6
134.03719	1.8
135.04532	100.0
136.04840	3.8
137.02454	0.6
137.06140	0.7
139.03996	2.0
145.03026	0.8
147.04619	0.6
149.00911	8.8
149.06073	1.9
151.04004	0.6
161.02458	20.1
161.06097	2.0
162.02824	1.0
163.04013	17.0
177.05611	0.8
179.03508	66.3
180.03940	3.4
181.05110	0.9
221.04567	1.5
226.06316	0.9
227.07143	1.9
231.59341	0.7
237.09169	0.9
239.07230	3.2
241.04947	0.9
253.08582	0.9
255.10263	48.8
256.10599	4.4
270.34525	0.6
283.06192	3.1
299.09241	10.4
300.09607	1.1
343.08203	33.3
344.08539	3.0
379.36429	0.6
475.08621	1.4
475.14517	16.8
475.20880	0.9
476.15009	2.1
480.33243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47478	6.1
59.01377	24.7
60.77987	6.3
69.64077	38.2
71.01381	22.1
72.99303	19.5
73.02946	12.3
87.00889	10.2
89.02432	18.0
97.55607	7.2
101.02470	11.6
109.02924	11.5
113.03539	8.8
114.01941	8.0
115.00370	50.4
119.05016	25.1
121.02934	13.0
131.04604	27.6
132.03003	17.7
133.01425	100.0
133.05043	54.5
134.03674	7.0
135.04509	43.8
136.04832	8.3
146.03703	6.2
149.06088	46.6
163.04065	6.9
179.03458	24.9
179.05603	9.5
179.07039	8.7
180.03766	9.3
181.05101	15.5
193.04875	9.8
193.75478	7.1
194.08131	10.7
223.06128	25.8
269.72198	7.8
312.32928	7.2
313.09109	7.4
343.09256	6.8
347.07977	8.8
385.11099	17.0
401.83392	7.6
407.94769	7.4
415.13995	14.6
475.10614	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	473.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32110	0.7
58.54169	0.7
58.67817	0.6
59.01380	2.0
61.24398	0.7
61.98823	1.7
71.61594	1.2
74.65884	0.8
78.43021	0.6
84.02167	0.8
96.96056	0.6
104.32294	0.7
106.09280	0.7
135.04509	1.4
141.58945	0.7
149.00906	1.5
179.03508	1.8
234.87546	0.6
272.43427	0.8
277.63809	0.6
289.26996	0.7
304.01340	0.6
399.33206	0.9
455.35516	3.2
473.36383	100.0
474.36734	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	473.3637
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
55.49120	0.3
57.03444	1.0
59.01380	1.4
61.98834	0.6
69.39532	2.6
78.95903	0.4
93.47472	0.3
133.01083	0.3
135.04507	0.5
144.75737	0.3
179.03511	0.6
254.66820	0.3
427.35950	0.9
455.35672	0.5
473.36371	100.0
474.36713	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	473.3634
Annotation	Bryodulcosigenin
Peak:m/z	Relative Intensity
52.33651	0.6
57.03466	5.1
58.45514	0.7
59.01372	2.0
61.98856	0.8
71.01389	1.2
71.26015	1.3
102.17667	0.7
107.05029	4.6
111.60055	0.8
136.25381	0.7
139.38000	0.7
163.11310	5.3
177.09224	8.1
178.09671	0.7
228.99745	0.7
278.60300	0.9
283.17001	5.5
305.24966	1.2
379.30154	0.9
397.31116	11.2
398.31305	1.6
415.32352	5.3
418.89648	0.8
438.10513	0.8
455.35538	1.8
462.75110	0.7
473.27057	7.9
473.36374	100.0
474.27032	1.4
474.36746	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3641
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
53.00434	0.3
57.03450	7.9
58.03791	0.4
59.01374	0.8
71.01348	0.3
78.95905	0.3
97.68334	0.3
101.86103	0.3
124.96009	0.3
160.01709	0.3
168.35576	0.2
169.01556	0.3
169.60661	0.2
172.77597	0.2
204.06209	0.3
233.87125	0.3
245.00124	0.3
305.24905	2.4
337.25583	0.3
381.28009	0.4
397.31113	0.4
413.34097	0.7
415.32108	2.2
433.33337	0.4
446.31274	0.3
455.35376	0.5
473.36365	100.0
474.36719	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	473.3636
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
50.91223	0.6
59.01366	0.9
69.38794	4.5
69.39205	0.7
73.02924	0.9
73.48235	0.6
74.70403	0.5
83.90453	0.6
87.04481	1.3
92.08846	0.6
161.56931	0.7
196.76903	0.7
205.15962	7.2
234.92886	0.9
279.23264	0.6
285.18588	1.2
308.58344	0.7
381.31482	0.7
397.30966	2.2
409.34671	1.8
411.32443	0.9
413.34167	1.7
427.35806	1.5
455.35022	1.0
457.24960	2.6
473.28259	26.5
473.36234	100.0
474.28668	4.3
474.36606	20.7
491.37454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
59.26479	0.6
78.95905	50.8
96.96965	3.0
118.36390	0.5
140.01176	2.5
152.99590	7.3
171.00636	8.8
195.52328	0.5
196.03799	1.7
214.04854	3.6
227.65578	0.5
229.27631	0.5
233.22720	0.6
234.49721	0.5
277.21716	100.0
278.22052	10.5
354.88760	0.5
400.22229	0.9
474.26273	29.8
474.36862	1.8
475.26630	3.5
475.37671	0.8
493.94000	0.6
494.02069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3634
Annotation	Sipholenone E
Peak:m/z	Relative Intensity
57.03453	5.6
59.01374	1.1
61.98813	0.5
70.59560	0.6
70.59961	0.5
71.01382	0.7
78.95899	0.9
87.92062	0.2
88.88126	0.3
89.02449	0.7
97.06572	0.3
97.23253	0.3
135.04570	0.4
149.00854	0.3
152.99612	0.4
167.56883	0.3
219.85219	0.2
275.19958	0.4
293.21225	0.6
322.82465	0.3
337.88678	0.3
349.54715	0.3
397.31097	0.7
413.33749	0.3
415.32196	2.9
416.32672	0.4
455.35217	0.7
473.36362	100.0
474.26077	0.7
474.36697	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	473.3634
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
53.05309	0.5
59.01374	1.6
71.61621	0.9
85.18443	0.5
96.93856	0.6
135.04541	1.4
149.01015	1.3
171.92384	0.6
179.03487	1.0
257.67709	0.6
321.36609	0.5
327.48792	0.6
410.13763	0.6
427.35782	20.5
428.36166	2.9
455.35410	1.3
473.36365	100.0
474.36716	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	473.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32110	0.7
58.54169	0.7
58.67817	0.6
59.01380	2.0
61.24398	0.7
61.98823	1.7
71.61594	1.2
74.65884	0.8
78.43021	0.6
84.02167	0.8
96.96056	0.6
104.32294	0.7
106.09280	0.7
135.04509	1.4
141.58945	0.7
149.00906	1.5
179.03508	1.8
234.87546	0.6
272.43427	0.8
277.63809	0.6
289.26996	0.7
304.01340	0.6
399.33206	0.9
455.35516	3.2
473.36383	100.0
474.36734	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	473.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.7
58.00606	3.4
59.01091	5.5
59.01382	74.4
61.98830	9.3
68.99803	4.2
69.03458	2.8
71.01378	35.6
72.99311	7.4
73.02959	3.2
77.13491	2.9
81.18213	2.6
83.01387	2.7
85.02973	6.6
87.00890	11.5
89.02439	21.1
99.00883	17.1
101.02454	14.3
103.00388	7.9
112.98816	8.8
113.02493	13.5
119.03507	11.9
121.02969	4.7
125.09731	3.1
130.99873	4.0
133.02960	3.5
134.03671	3.4
135.04535	27.6
136.04887	4.7
136.67569	3.0
137.02414	3.5
145.86992	2.7
149.00916	22.2
163.04037	6.0
171.10277	10.9
179.03448	22.9
179.05798	3.4
183.13930	6.6
199.07690	8.5
201.11336	7.0
235.08125	3.4
275.20261	8.7
293.02994	5.3
293.21359	16.7
311.22296	8.9
341.14078	12.7
366.98730	3.3
372.94653	2.9
373.22354	4.8
473.27643	100.0
473.33801	6.3
473.69165	3.0
474.27762	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.4
63.81198	0.7
67.18481	0.6
69.40672	0.7
73.02921	0.7
84.92626	0.6
121.06603	12.1
133.06598	2.4
139.14331	0.7
149.09723	100.0
150.10057	4.9
163.11270	3.8
163.46947	0.7
205.15962	4.0
233.12709	0.7
248.12645	0.7
293.15506	0.8
297.18597	6.3
311.20190	26.9
312.20621	3.2
323.20169	20.7
323.24039	0.9
324.20804	2.1
457.25302	2.4
458.24179	0.9
473.30673	85.9
473.36697	8.9
474.31024	13.4
474.36990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54913	1.7
59.01376	6.2
59.47620	1.7
61.98823	2.8
71.62412	2.5
76.74332	1.8
114.77588	1.9
129.99078	2.0
149.00932	2.3
193.07098	2.1
203.69183	1.9
205.15977	9.7
279.23300	100.0
280.23517	10.2
411.32632	2.0
457.25064	5.7
473.19843	8.6
473.28116	43.0
473.36124	34.1
474.20255	2.4
474.28531	5.4
474.36835	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	473.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55259	0.2
59.01355	0.3
61.89031	0.1
61.98835	1.6
66.02750	0.2
71.60870	0.2
71.61218	0.3
78.57325	0.2
80.07603	0.1
82.52673	0.2
82.98152	0.1
85.92805	0.2
91.42826	0.1
95.12032	0.2
102.27543	0.2
111.55936	0.2
118.46030	0.2
149.00839	0.3
161.58327	0.2
179.03435	0.3
326.90079	0.2
473.36340	100.0
474.36676	17.6
491.37463	1.5
492.37286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16581	0.8
59.01382	100.0
60.01712	1.2
61.98823	2.4
69.82189	3.2
69.82609	1.1
83.63527	0.9
98.19913	1.2
121.02911	0.9
135.04489	2.0
149.00903	3.0
166.96986	0.7
179.03450	3.3
181.53102	0.8
190.51682	0.7
473.36786	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01725	1.0
62.00227	0.3
70.93693	0.8
71.01398	1.5
73.02948	1.4
87.00873	2.4
89.02431	0.9
101.02457	1.4
102.89149	0.3
103.00392	2.1
113.02482	1.0
119.03531	0.5
121.02993	0.4
130.99887	0.7
133.02945	0.4
135.04529	2.3
149.00926	1.6
152.03938	0.4
161.02528	0.7
175.03908	0.5
179.03592	1.2
205.05040	0.5
251.07201	1.0
252.07959	1.5
264.07883	0.9
268.03745	0.4
279.06714	1.2
279.09677	0.5
308.07001	0.7
311.09320	3.4
321.45795	0.4
323.09134	2.7
341.10266	2.1
431.55844	0.4
439.01126	0.4
473.24268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03458	0.6
58.44576	0.2
59.01381	100.0
59.36361	0.2
60.01440	0.3
60.01714	1.4
61.98832	0.6
62.40001	0.2
69.03421	0.2
70.38733	0.7
71.01389	3.0
72.99297	0.5
73.02946	1.7
80.64437	0.2
83.01395	0.7
84.33825	0.2
85.02966	1.0
87.00889	1.7
89.02436	1.3
92.06992	0.2
94.10190	0.3
97.06602	0.3
99.00900	0.9
99.04546	0.3
99.92590	0.4
101.02443	2.7
103.00380	0.2
107.05066	0.2
109.02966	0.8
109.30299	0.2
112.98814	0.5
113.02438	1.5
115.07716	0.3
115.92112	0.4
119.03534	0.8
119.05024	0.6
123.04550	0.3
125.02444	0.4
125.06100	0.3
133.02936	0.5
134.03751	1.5
134.43851	0.2
135.04523	7.7
137.02409	0.3
141.09280	0.5
143.03578	0.3
145.03001	0.4
147.04613	0.2
149.00922	2.8
149.06165	0.3
161.02475	0.4
161.04619	1.2
163.04010	0.8
178.02660	0.3
179.03502	3.8
179.05006	0.3
179.05768	0.3
225.63126	0.3
238.10074	0.3
253.08723	0.5
269.08337	0.4
291.97638	0.2
293.03094	0.3
297.07587	0.4
311.04434	0.3
311.09314	0.8
341.10306	1.7
353.11948	0.3
353.19656	0.5
371.20731	0.9
395.21030	0.3
413.21844	1.0
429.16370	0.3
429.28564	1.7
431.22791	0.6
473.14307	0.3
473.28210	1.8
475.07419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.74929	0.3
56.11772	0.3
57.03452	0.9
59.01381	100.0
60.01720	1.2
61.98824	0.8
63.37788	0.3
63.63892	0.3
65.26099	0.3
71.01384	6.8
71.48831	0.3
71.62061	0.5
72.99314	1.8
73.02943	2.3
83.01403	1.6
85.02954	3.4
87.00878	3.4
89.02440	3.1
95.01393	0.6
96.96012	0.8
97.02998	0.4
99.00861	1.7
101.02441	4.4
103.00375	2.3
109.02957	0.6
112.98833	1.5
113.02444	3.8
119.03551	1.6
119.05066	0.8
121.02965	0.6
130.99805	0.8
131.49007	0.3
133.02962	0.9
134.03798	0.6
135.04523	5.5
135.05478	0.5
137.02412	0.7
143.03517	0.6
147.04596	0.4
149.00912	6.2
149.02054	0.5
149.04601	0.5
149.05846	0.3
161.02434	0.6
161.04594	1.1
163.04034	1.1
178.02765	0.5
179.03502	4.4
180.03937	0.3
209.15440	0.4
227.13004	1.4
251.16675	1.6
261.05728	0.5
269.08334	0.5
287.15036	1.9
288.15430	0.4
293.03152	0.7
311.04199	0.7
311.22308	0.5
341.23477	0.6
371.21054	0.4
395.20648	3.8
396.21069	0.4
413.21762	7.0
414.22372	1.1
431.27203	0.4
455.23331	1.2
473.24124	3.7
473.29214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44859	0.8
53.90508	0.7
58.00603	1.0
58.32518	0.7
59.01381	49.1
62.25507	0.9
69.78586	1.3
69.78995	3.2
71.01384	13.8
72.99306	4.7
73.02937	3.7
81.03490	1.1
83.01392	2.0
85.02955	5.9
87.00882	12.9
89.02440	10.4
91.01901	2.0
93.03476	1.5
95.01365	1.4
98.20643	0.8
99.00851	1.1
101.02449	8.2
103.00372	3.6
105.01939	0.9
107.04962	0.8
109.02966	6.7
112.98747	1.0
113.02444	6.3
117.03461	2.3
119.03518	4.2
119.05029	1.3
127.00426	1.1
129.03458	1.4
130.99858	2.6
131.03503	1.2
131.05054	1.3
132.02182	16.5
133.02972	7.6
134.03748	31.2
135.00908	2.1
135.04530	50.6
135.06647	3.3
136.04863	2.4
137.02441	3.7
139.00330	1.5
143.05017	3.7
145.02968	1.9
146.03709	3.2
147.03479	1.3
147.04532	11.7
149.00922	59.7
149.06102	5.4
150.01320	1.3
158.03731	1.2
159.04486	1.1
160.01663	84.7
161.02332	6.8
161.04579	2.3
162.03265	0.9
163.03981	2.8
173.06090	1.2
175.04001	100.0
176.04477	7.2
177.05531	1.6
178.02692	1.2
179.03503	56.3
180.03819	3.0
191.03447	1.3
191.07158	7.0
193.05061	46.7
194.05394	2.2
194.08253	2.0
203.03546	0.9
205.04947	1.0
207.06540	1.9
219.03014	6.4
225.19763	1.0
235.06033	18.1
236.06377	1.9
240.04056	1.0
241.05063	1.1
246.61234	0.8
251.07185	1.7
253.08667	15.0
254.09047	1.5
265.07144	3.6
268.03778	5.6
269.04532	32.5
270.04834	2.6
271.79587	0.9
275.01880	1.1
293.02939	5.3
295.08344	4.0
297.07666	6.1
311.00836	1.3
311.04102	11.7
312.04468	1.5
328.58173	0.8
337.09265	2.9
341.08734	3.0
355.10489	1.1
413.21765	1.8
473.10889	5.6
473.16632	76.6
474.11090	1.7
474.16934	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	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03450	1.2
59.01379	100.0
69.74590	7.1
70.62606	1.3
71.01385	12.9
72.99309	6.0
73.02939	5.7
75.00884	1.4
80.96558	1.4
83.01394	2.2
85.02969	3.8
87.00868	21.5
89.02439	5.6
100.76191	1.2
101.02451	7.0
103.00350	7.2
105.01900	2.3
109.02962	15.4
112.98817	2.8
113.02417	4.1
117.03507	2.1
119.03452	1.3
119.05023	1.9
121.02924	3.8
123.08181	2.1
125.02438	1.9
127.00307	2.0
130.99855	3.9
132.02229	6.1
133.02957	4.6
134.03740	12.0
135.04532	73.6
136.04814	2.2
137.02354	2.6
138.01944	1.6
143.04990	2.3
145.02982	8.0
146.03667	3.0
147.04530	20.8
149.00919	90.4
149.06108	2.8
150.01299	1.7
160.01649	26.0
161.02472	10.8
161.04562	3.6
161.06055	1.9
163.04010	2.6
167.10886	1.3
174.03244	3.0
175.04007	48.5
176.04347	3.4
179.03497	74.6
180.03790	5.2
187.03929	1.9
189.12830	5.1
191.03465	3.6
193.05060	15.0
203.05579	1.7
203.44298	1.3
204.38197	1.1
207.13902	4.9
219.03014	8.7
231.03008	2.2
235.05887	2.1
240.04082	1.5
251.07162	1.7
253.08688	13.1
255.06587	20.8
256.07050	1.8
268.03897	1.9
269.04733	6.4
269.55896	1.4
293.03040	7.8
295.06110	42.9
296.06400	3.7
297.04352	2.6
297.07669	43.4
298.07889	3.6
310.46530	1.5
311.04068	16.7
341.06619	2.0
400.15115	1.4
466.74042	1.3
473.16299	29.1
474.16684	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	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33487	1.2
54.33577	1.1
57.03442	2.3
59.01382	100.0
60.01712	1.5
62.47805	1.0
69.58665	6.8
71.01389	12.7
72.71383	0.9
72.99312	8.2
73.02947	5.7
80.96519	1.1
82.96121	1.7
83.01398	2.5
85.02960	3.1
87.00875	19.5
89.02448	6.0
92.99058	1.2
93.03452	1.3
94.45750	1.3
98.35682	1.0
101.02444	8.1
103.00368	6.1
109.02953	9.6
112.98845	2.3
113.02460	4.9
117.03423	1.6
119.03564	2.4
119.05074	2.9
121.02998	2.8
123.08183	3.1
125.02429	2.0
127.00384	2.0
128.03629	1.2
128.09787	1.0
130.99872	4.6
132.02180	3.2
133.02960	5.4
134.03749	9.3
135.04532	77.6
136.04880	4.1
137.02399	3.2
138.01994	2.2
138.05536	1.1
139.00339	2.0
143.05048	2.6
145.02968	3.8
146.03737	4.0
147.04541	17.2
147.11247	1.1
149.00920	89.0
149.06088	2.5
149.09676	1.8
150.01303	2.5
151.04071	1.4
154.33429	1.1
159.04491	1.1
160.01654	18.8
161.02483	9.0
161.04533	4.4
161.05896	1.2
163.04013	3.2
163.11363	2.3
167.10802	1.8
174.03055	1.5
175.04016	29.5
178.14163	1.1
178.96785	1.1
179.03496	80.5
180.03812	3.7
189.12830	4.2
191.03519	1.9
191.07326	1.2
193.05057	11.1
205.05066	1.5
207.13908	5.4
216.33464	1.2
217.67731	1.2
219.02980	9.3
235.05913	2.6
248.25638	1.1
251.07201	1.8
253.08653	10.9
255.06595	8.3
268.03775	4.0
269.04550	13.0
270.04895	1.5
275.02106	1.3
293.03046	11.5
294.18613	1.3
295.06091	17.2
296.06662	1.7
297.07669	19.2
298.08102	1.6
311.04080	20.7
312.13644	1.2
373.19000	1.1
413.08694	2.3
413.21948	2.2
473.10791	2.5
473.16458	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.0
70.47404	1.7
70.47735	1.6
71.01402	1.6
71.87793	0.9
72.09917	0.8
73.02951	1.1
75.00877	4.3
85.02994	1.2
86.36008	0.8
87.00867	1.9
92.05059	0.9
94.98782	1.0
97.02953	1.9
99.04533	0.9
101.02457	1.1
102.11599	0.9
107.05034	1.1
109.02956	23.3
111.00894	2.0
118.95731	0.8
120.98335	0.7
121.02970	0.9
128.03543	2.4
133.02959	1.6
134.03732	1.8
135.04527	100.0
136.04881	3.6
137.02469	1.1
139.04066	1.3
142.14189	0.7
146.03699	1.2
147.04488	0.9
148.05298	2.2
149.00906	3.8
149.06088	29.7
150.06422	1.4
151.04019	1.0
151.07668	2.0
159.04512	2.3
161.02460	3.9
161.06088	5.9
162.03232	0.9
163.04015	1.2
163.07668	1.4
171.04501	1.6
173.06126	4.5
175.03947	3.9
176.04823	1.3
177.01907	1.6
177.05568	12.1
178.02562	1.0
178.06059	0.9
179.03511	31.0
180.03784	1.6
188.04799	1.1
189.05577	15.6
190.05830	0.9
191.07178	5.2
193.05070	1.2
195.06604	1.5
201.05502	1.3
203.07118	1.9
205.08601	1.2
207.06618	9.1
219.06682	3.9
221.04541	20.2
221.06554	1.5
222.04785	1.1
231.06627	14.0
232.06992	1.4
234.09694	1.0
235.06117	13.4
236.06487	0.8
239.05615	9.9
249.07695	7.8
253.07149	2.3
260.99606	0.8
267.08801	0.9
281.06815	1.1
293.06699	1.2
297.09879	1.2
300.11188	0.9
301.11325	3.7
311.07706	11.4
311.11426	3.3
341.08920	11.6
369.12167	0.9
383.09784	3.4
386.16275	1.1
393.11569	1.1
397.11279	1.2
401.10883	6.9
405.16003	3.3
406.15634	1.2
411.12872	2.7
413.10861	3.1
415.12555	3.7
443.11932	4.6
455.11411	1.4
473.13174	5.3
474.13571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
59.01381	24.4
61.98818	0.7
62.68134	0.6
69.76255	1.8
69.76662	1.8
71.01379	7.7
72.99310	2.0
73.02958	3.1
75.00866	0.6
80.96542	1.6
82.96115	0.9
83.01398	1.5
85.02951	3.1
87.00878	8.3
89.02445	5.8
93.03459	1.0
94.24717	0.6
97.02925	0.7
101.02442	6.8
103.00381	2.0
107.05030	1.0
108.02161	0.7
109.02939	5.1
110.00488	0.7
112.98845	1.5
113.02477	3.7
114.83694	0.6
117.03452	2.8
119.03518	1.9
119.05007	0.8
121.02972	1.9
124.36777	0.6
130.99864	1.2
132.02173	18.7
133.02965	3.6
134.03745	30.2
135.04538	24.6
135.06657	2.1
136.04868	1.2
137.02448	2.3
143.03516	0.9
143.05040	1.2
145.03008	1.6
145.56320	0.6
146.03751	1.1
147.04530	5.8
149.00922	28.4
149.06038	3.5
150.01215	1.1
153.05467	0.8
154.83920	0.7
160.01660	84.5
161.02197	5.0
161.04448	0.8
163.03957	1.0
175.04002	100.0
176.04375	6.5
177.05583	0.9
178.02771	0.8
179.03505	28.7
180.03836	1.6
187.04028	0.9
191.03432	0.8
191.07164	2.3
193.05061	41.8
194.05412	2.4
211.76756	0.7
219.02986	3.8
235.06012	6.6
251.07162	1.4
253.08688	4.7
255.06636	2.0
263.85019	0.6
265.07254	1.5
269.04608	1.1
277.07401	0.8
278.72861	0.8
293.03046	3.1
295.05743	3.1
297.07715	5.1
311.04086	6.0
337.09164	1.5
341.06314	3.0
352.99161	0.7
413.21793	1.0
431.15759	1.1
473.16608	75.3
474.16852	9.0
474.26898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0724
Annotation	Chicoric acid
Peak:m/z	Relative Intensity
59.01373	10.6
69.67785	5.0
69.68202	2.1
72.99296	4.0
87.00880	18.1
103.00351	5.9
105.01940	2.0
108.75018	1.0
109.02936	2.6
112.98793	2.0
117.03522	1.1
130.99840	3.7
133.02937	3.3
134.03725	2.7
135.04529	81.0
136.04816	3.0
137.02538	1.4
139.00378	2.0
149.00919	100.0
150.01271	2.2
161.02408	7.8
163.03986	4.3
169.25140	1.0
177.05618	1.9
179.03502	90.3
180.03780	3.9
191.03494	2.9
191.14616	1.1
195.55003	1.0
197.40167	1.2
199.46561	1.0
205.72162	1.1
219.02991	12.6
231.02946	2.0
253.08740	1.1
275.01987	1.3
293.03110	9.0
299.62683	1.1
311.04141	15.5
312.04468	1.3
352.72891	1.2
367.42065	1.1
454.09180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.6
67.34607	0.4
69.53336	0.6
69.53741	2.8
71.01368	0.8
72.99299	5.3
73.02946	0.7
75.00898	0.5
78.82169	0.4
79.47656	0.4
82.64120	0.5
85.02944	0.7
87.00870	18.6
97.72478	0.4
101.02469	0.9
103.00366	6.1
105.01945	1.4
107.05028	0.9
109.02953	2.1
112.98824	1.2
113.02427	0.6
123.04556	0.4
127.00388	1.2
128.81903	0.5
130.99866	3.0
133.02925	2.3
134.03752	1.3
135.04524	51.2
136.04854	3.0
137.02397	2.1
139.00366	1.8
145.02927	0.9
147.04530	0.5
149.00912	100.0
150.01256	3.1
159.04562	0.7
161.02438	6.2
161.04529	0.9
163.04030	3.2
169.51503	0.4
179.03493	52.9
180.03821	3.5
187.04057	0.5
191.03484	2.2
207.71097	0.5
219.02969	8.7
220.03476	0.7
231.03001	1.3
253.08875	0.6
268.13657	0.6
275.01971	0.5
293.03012	8.4
294.03433	0.7
311.04077	16.9
312.04407	2.0
335.64737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80651	0.5
59.01384	4.5
61.98832	1.6
69.26120	4.1
69.26530	1.0
71.01389	1.8
72.99309	0.6
87.00881	2.4
87.04602	0.6
89.02438	0.7
93.03466	0.8
101.02454	0.5
104.93375	0.5
107.04990	1.0
109.02957	7.9
111.00890	1.0
113.02421	0.5
117.03465	0.7
119.04999	1.0
120.01263	0.6
123.04428	0.5
132.34976	0.5
133.03009	0.9
134.03731	3.3
135.04527	100.0
136.04848	5.1
137.02528	0.6
143.05037	0.6
145.02945	2.8
146.03746	0.6
147.04535	1.0
149.00948	2.5
149.02600	0.5
149.06075	3.6
151.04068	0.6
159.04486	0.9
160.01648	1.2
161.02420	1.5
161.04948	0.4
161.06076	2.9
163.04022	1.4
175.03987	2.2
177.02069	0.5
177.05547	2.2
179.03496	97.0
180.03882	5.1
183.04845	0.7
187.04019	0.6
193.05096	0.8
205.05017	1.0
219.02876	0.5
219.06490	0.6
221.04584	5.2
235.96072	0.4
237.05608	0.6
253.08669	1.4
255.06615	1.2
267.03394	0.5
281.04544	1.9
295.06067	0.9
297.07651	2.9
311.07721	5.2
312.08417	0.7
323.05338	0.6
327.09235	1.1
341.06607	11.1
342.07138	1.1
381.11484	0.5
473.12909	17.5
474.13318	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	473.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92823	0.8
52.39251	0.6
53.50755	0.7
56.38556	0.7
59.01381	1.6
67.97111	0.7
69.52800	0.6
69.81902	0.7
70.11340	1.8
70.11739	1.2
71.01378	1.1
71.15123	0.6
75.00846	1.2
76.70067	0.6
81.03418	0.8
83.01387	1.2
83.80997	0.7
87.00835	0.8
89.02422	0.9
92.18482	0.6
99.00850	1.0
102.04587	0.6
107.05030	1.0
108.02142	1.1
109.02948	21.5
111.00874	7.9
111.44147	0.7
113.02422	0.9
121.02943	1.1
121.79850	0.7
122.43866	0.7
123.04536	0.9
130.16550	0.8
131.05000	1.4
133.02943	0.8
134.03741	1.1
135.04518	32.5
136.04831	1.3
137.06128	0.8
139.04002	0.9
143.05067	1.0
146.14557	0.7
147.04477	4.0
148.05286	1.1
149.01007	0.6
149.02415	1.6
149.06075	17.5
151.03995	0.9
159.04510	4.4
161.02429	1.7
161.06079	5.0
162.03223	5.7
163.04022	4.4
164.04759	3.2
165.05548	4.1
171.04483	1.2
174.03203	1.6
175.03973	3.3
176.04675	1.1
177.05566	79.2
178.05907	4.8
179.03503	11.4
180.03990	0.8
181.05092	1.2
187.03963	0.9
188.04700	0.9
189.05571	24.0
190.02702	0.9
190.05914	1.0
191.03456	1.4
193.05000	1.1
201.05562	1.8
203.03502	2.2
207.06621	6.7
219.02933	1.0
219.06635	2.6
221.04549	46.9
222.04860	2.8
231.06653	3.2
235.06015	0.9
237.60132	0.7
239.05609	2.0
249.07776	4.2
263.05505	0.7
267.08670	6.9
283.19592	0.7
311.07706	100.0
312.08066	8.3
312.11398	1.2
341.08859	1.6
351.11020	1.3
383.09799	2.9
395.09711	0.9
473.13010	14.5
474.13385	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	472.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13800	1.3
57.68124	1.3
59.01392	4.4
67.03017	6.2
68.02554	2.8
70.72855	3.5
75.00857	1.6
85.02965	3.0
87.00864	4.1
92.05063	19.4
94.04134	1.3
102.05611	7.2
106.04143	6.8
107.14210	1.4
109.02943	14.5
109.04090	3.5
111.00912	2.8
111.03128	2.2
117.04578	2.5
120.04575	2.8
126.06740	8.8
128.03551	46.9
129.86343	1.4
130.50636	1.6
133.02989	4.1
134.03833	1.3
135.04539	95.9
135.05609	8.4
136.04053	8.7
143.05083	1.8
146.04596	7.7
147.04590	2.5
147.05638	8.9
148.04068	17.0
149.00969	3.4
149.04796	3.1
149.06073	19.3
151.03912	1.7
151.06215	2.6
160.55484	1.6
161.02443	4.3
161.06107	5.3
163.04094	1.8
163.06250	10.4
173.06052	3.1
175.04051	1.8
177.01918	19.9
177.05574	14.2
177.10312	10.5
178.02278	16.0
179.03508	49.3
187.86183	1.5
189.05544	16.3
189.10385	6.5
191.07135	3.3
201.05550	1.9
203.08488	2.2
207.06613	6.7
214.09947	2.5
219.06693	2.3
221.04584	21.8
221.09285	13.1
221.95807	1.6
231.06595	8.3
233.09308	26.6
234.09705	3.6
235.06165	9.8
239.05597	6.9
249.07761	4.4
256.12064	1.9
258.08841	2.6
275.11493	8.7
297.09955	2.3
300.11026	50.8
301.11444	5.0
311.07748	20.7
311.11212	2.8
341.08875	29.7
343.11197	9.0
360.16638	4.1
383.09869	1.5
385.16287	17.7
386.16296	1.7
401.10791	4.4
404.15750	55.3
405.16205	6.3
411.14294	7.0
412.14514	1.7
413.10941	4.0
415.12717	2.1
429.15240	18.7
430.15985	2.8
443.11932	3.8
454.14835	6.2
472.15979	100.0
473.17239	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	472.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56899	1.1
56.12970	1.1
57.01627	1.4
59.01374	1.6
61.98835	100.0
70.36879	1.3
71.62360	1.9
78.95935	1.5
96.95982	1.1
125.78748	1.2
135.04462	1.7
140.62720	1.3
152.99614	3.4
194.96550	1.4
252.82826	1.2
305.24899	2.7
323.01111	1.2
438.00647	1.3
471.34961	6.8
471.41092	1.1
472.35373	8.1
473.36194	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02446	0.8
59.01381	9.8
60.06812	0.7
65.00320	2.1
65.44579	0.7
69.42105	6.8
69.75996	0.7
71.01405	1.5
72.99319	3.2
73.02943	0.7
87.00876	12.5
89.02454	1.8
91.01915	5.7
93.03468	3.3
101.02500	1.7
103.00381	2.6
108.02170	1.0
109.02954	40.4
110.03280	1.0
112.98849	1.5
116.04165	0.9
119.05053	1.1
121.02955	2.0
129.03436	2.1
130.99872	3.5
131.05011	3.5
133.02911	1.2
134.03787	0.9
135.04523	18.2
137.02489	0.8
143.05025	28.1
144.05356	1.7
145.02928	3.7
146.03734	8.2
147.04529	20.8
149.00914	32.8
150.01228	0.8
153.01855	0.8
159.04514	2.3
161.02405	1.9
161.04620	1.0
163.04028	0.9
179.03513	24.2
180.03844	1.3
180.36543	0.9
183.89342	0.8
196.05254	1.0
207.08199	0.9
208.85115	0.7
209.06090	1.6
211.07675	2.1
219.03004	3.7
229.04697	0.8
235.07649	16.5
236.08134	1.6
251.07127	10.4
252.07675	2.0
253.08684	100.0
254.09073	10.0
293.03079	3.4
297.07672	44.0
298.08041	4.4
311.04016	4.6
323.05603	3.8
341.06613	0.8
441.95749	0.9
473.07086	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	471.348
Annotation	Odoratone
Peak:m/z	Relative Intensity
57.03447	0.2
59.01374	0.5
61.98806	0.6
63.48035	0.2
71.01376	0.5
71.16618	0.5
93.90991	0.2
97.06567	0.2
115.77305	0.2
133.02922	0.3
149.20802	0.3
177.01900	0.7
206.72125	0.2
269.20636	0.2
311.39066	0.3
362.21112	0.3
413.30444	0.6
453.33472	0.6
471.34778	100.0
472.35117	18.1
489.35855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	Sumaresinol
Peak:m/z	Relative Intensity
55.52854	0.6
59.01385	1.1
65.54334	0.5
70.64313	2.0
71.01381	1.5
83.05019	1.1
98.38025	0.6
198.53954	0.6
256.14685	0.5
303.36542	0.6
331.85599	0.7
353.28464	0.9
365.28433	3.3
381.31573	8.8
382.32047	1.3
411.32645	8.1
412.33154	1.3
415.55447	0.7
427.36050	4.2
428.35910	1.0
430.05725	0.7
453.33728	8.5
454.34134	1.2
466.35574	0.7
471.34805	100.0
472.35144	18.2
489.35965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03218	0.4
57.03453	4.0
59.01352	0.7
61.98825	0.7
68.28629	0.3
70.18655	1.6
71.01382	6.6
82.64637	0.3
95.09859	0.3
97.06593	0.8
121.33643	0.4
162.83879	0.5
234.26083	0.3
385.31219	0.5
389.28235	0.4
391.30106	0.9
395.29529	1.7
396.29568	0.4
405.31747	1.1
407.33264	1.8
408.32837	0.4
410.98877	0.4
413.30594	10.5
413.35831	0.7
414.31171	1.6
423.28821	0.4
441.33774	0.6
451.32205	2.1
452.32773	0.4
453.33737	10.4
454.34058	2.1
471.34790	100.0
472.35123	16.5
487.54276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.2
61.98819	0.3
69.32430	2.4
70.00433	0.2
82.07078	0.2
86.40575	0.2
98.19811	0.5
100.64579	0.2
263.30667	0.2
283.03802	0.2
471.34784	100.0
472.35150	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	471.3476
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
51.93594	0.2
57.83608	0.3
59.01377	0.5
69.97068	1.1
71.01373	1.7
98.19987	0.4
123.79108	0.3
141.82257	0.3
172.71057	0.3
205.96422	0.3
214.04422	0.2
225.48837	0.3
256.69455	0.3
333.85803	0.2
342.30606	0.3
409.34781	0.5
453.33847	0.8
469.33041	0.3
471.34772	100.0
472.35101	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	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29270	0.3
59.01382	0.8
61.98828	0.9
62.67153	0.3
70.12337	1.2
71.01384	0.6
89.02444	0.6
102.50392	0.3
122.28340	0.3
147.47675	0.3
235.49994	0.4
291.19470	0.5
353.86307	0.3
471.34818	100.0
472.35184	16.9
484.30765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01372	0.7
61.98831	1.6
69.32009	3.4
71.01393	0.5
75.86411	0.3
78.95910	0.5
80.41493	0.3
85.97773	0.3
98.19832	0.7
121.20055	0.4
125.26713	0.3
180.20935	0.3
182.14519	0.3
286.07846	0.3
389.09909	0.3
425.33575	0.3
427.35995	0.8
453.33777	0.6
471.34802	100.0
472.35165	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	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
60.48593	0.3
69.31293	2.1
72.98975	0.2
76.56027	0.3
83.05033	1.6
85.72226	0.2
91.95919	0.3
93.61740	0.2
98.20602	0.5
126.48655	0.3
165.88394	0.3
269.18118	0.3
315.26874	0.7
350.72675	0.3
411.32169	0.4
471.34799	100.0
472.35129	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	471.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48681	2.1
59.01387	3.7
61.99557	2.2
68.02782	2.1
71.01374	3.1
74.88623	1.8
86.79231	1.9
143.84253	2.0
188.37735	2.1
275.63165	1.9
335.33191	100.0
336.33481	11.7
379.32111	43.7
380.32773	6.3
397.33224	97.2
397.38651	3.0
398.33539	14.5
413.30664	7.0
465.03400	2.1
471.36353	76.3
472.36649	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	471.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
64.69870	1.4
83.68337	1.2
84.77992	1.3
98.20741	2.7
125.27502	1.3
147.70329	1.2
186.07034	1.4
229.39967	2.2
277.21732	100.0
278.22052	11.5
453.34131	1.8
471.34888	62.5
472.35269	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	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74480	0.2
52.08544	0.2
59.01381	0.4
61.40100	0.2
61.98826	0.2
63.34928	0.2
64.90714	0.2
85.85152	0.2
98.19862	0.7
160.84367	0.2
393.31482	0.4
423.32816	0.9
471.34805	100.0
472.35162	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	471.348
Annotation	3-epimaslinic acid
Peak:m/z	Relative Intensity
52.50488	0.2
64.32229	0.2
81.38978	0.2
98.20666	0.4
123.08157	1.4
135.08206	0.2
317.27640	0.3
339.43024	0.3
377.28464	3.9
391.29944	0.4
393.31631	16.4
394.27515	0.3
394.32031	2.9
409.34756	25.7
410.30075	0.5
410.35126	4.7
427.35825	9.2
428.36145	1.0
453.33725	5.8
454.33917	0.9
471.34790	100.0
472.35132	19.2
472.42133	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	3-epimaslinic acid
Peak:m/z	Relative Intensity
52.53979	0.5
61.98845	0.5
69.45154	2.8
69.45557	0.9
69.47007	0.6
77.50445	0.5
77.61167	0.6
98.19909	1.0
123.08241	0.5
196.34326	0.6
220.61534	0.5
336.85626	0.5
393.31613	17.6
393.36755	1.1
394.32053	3.1
409.34744	19.7
409.40161	1.0
410.35175	3.5
427.35773	8.3
428.36096	1.2
453.33804	4.7
454.34402	0.7
471.34781	100.0
472.35138	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.6
57.18164	2.5
59.01382	100.0
60.56261	2.7
61.98838	3.9
69.38957	19.5
69.39361	4.4
71.01385	27.2
72.99294	4.0
73.02951	11.3
74.92857	2.4
80.96510	19.8
82.05534	2.2
83.01390	5.4
84.11784	2.0
85.02957	8.8
87.00884	9.5
89.02449	8.0
90.78645	2.6
94.98128	5.8
97.02987	2.8
101.02441	12.7
113.02438	12.1
117.03453	4.0
117.53320	3.0
119.05035	15.0
133.01433	2.7
133.02925	5.8
133.06511	3.1
135.04494	9.2
138.06882	6.2
145.02963	12.8
149.00935	3.3
151.07648	6.1
152.08452	17.9
153.09216	38.4
154.18100	2.6
159.03244	4.0
160.01527	2.7
160.03986	8.5
161.02466	5.6
161.04504	14.1
161.06070	10.1
163.03979	16.9
165.09201	3.5
175.03958	3.7
177.01973	2.8
177.05534	6.4
179.03445	6.9
205.05069	14.0
205.12381	14.5
219.02895	3.0
223.13438	5.8
225.00829	4.8
235.06180	4.5
265.07178	7.5
305.90591	2.6
325.11401	3.2
339.05090	4.6
367.17618	18.9
385.18738	3.8
427.19318	3.6
469.04507	2.5
471.09482	3.8
471.15393	55.5
472.15695	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	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62847	0.3
59.01380	100.0
60.01716	1.4
61.98840	0.4
69.41940	2.0
69.83648	0.3
71.01387	4.0
72.99305	0.4
73.02948	3.6
83.01380	1.4
85.02966	1.0
87.00893	0.7
89.02462	1.5
98.19865	0.4
99.04519	0.5
101.02447	4.0
109.02992	0.4
110.56526	0.3
112.98837	0.8
113.02444	2.1
117.10157	0.3
119.03525	0.9
119.05048	1.2
131.03517	0.5
133.03017	0.3
134.03735	0.5
135.04553	1.9
137.02495	0.4
137.09802	0.7
143.03505	0.4
145.02994	0.8
149.04590	0.8
161.02490	0.5
161.04613	1.2
161.06116	0.4
163.04059	1.6
169.59837	0.3
170.76904	0.3
177.01947	0.4
177.05589	0.5
179.03624	0.6
179.05632	0.4
205.05173	0.4
219.02899	0.3
249.14987	0.4
262.45450	0.3
293.02994	0.5
325.14105	0.3
389.93826	0.2
471.22653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68412	0.7
52.29208	0.9
56.68694	0.8
57.84826	0.8
58.00600	5.7
59.01382	100.0
65.56860	1.2
69.72810	2.9
69.73222	2.6
71.01389	2.6
72.99313	9.1
81.07088	2.1
82.55495	1.1
83.05026	1.4
87.00880	45.5
88.01205	1.3
88.70036	0.9
91.49520	1.0
98.20537	1.7
99.00862	2.2
103.00378	64.0
107.05003	1.0
107.09788	1.0
109.06588	1.0
111.08143	3.0
112.98821	6.3
119.05012	1.3
120.93034	1.0
125.02425	1.1
129.93352	0.8
130.99873	32.0
132.00122	1.2
135.04535	2.1
149.00912	2.9
163.03935	1.3
163.11397	1.2
165.83797	1.1
193.07314	0.9
195.17543	8.4
197.11823	9.0
209.11855	5.6
239.16548	5.5
291.19568	2.4
309.20731	9.7
339.25385	68.1
340.25668	6.2
378.52625	1.0
422.71231	0.9
441.73535	0.9
471.26059	12.8
472.26297	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	471.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
57.03439	0.8
58.00599	2.0
59.01382	30.8
60.11012	0.4
69.03483	0.4
69.31236	3.0
69.31641	0.8
71.01382	20.4
72.99316	2.3
73.02947	1.7
75.00891	0.4
83.01389	1.5
84.02206	0.5
85.02946	4.5
87.00896	1.2
89.02449	18.4
95.01402	1.1
97.02982	0.5
98.19910	0.8
99.00878	0.6
101.02446	9.7
111.08164	0.9
113.02454	7.4
114.02739	0.5
119.03510	6.0
125.02472	0.7
131.03540	0.6
143.03513	1.3
149.04597	0.6
161.04605	1.0
163.11372	0.4
165.12848	8.6
166.13179	0.5
167.14453	1.0
170.46712	0.4
179.05664	2.4
183.13898	100.0
184.14241	6.2
195.13875	1.0
197.15468	18.1
198.15860	1.6
207.13887	1.0
209.11845	4.0
225.14963	4.8
227.12857	4.6
241.14548	1.2
255.16151	0.5
277.38306	0.5
287.37558	0.5
362.37192	0.5
440.12186	0.5
453.25446	1.1
471.25992	68.2
471.34271	3.9
472.26334	10.7
472.33578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60431	0.2
58.50295	0.2
60.04766	0.2
70.37070	0.2
71.35197	0.2
76.91853	0.2
77.03945	0.2
81.03483	0.4
89.03959	1.9
94.54401	0.2
95.05045	0.3
100.07710	0.2
104.02677	0.3
105.03458	3.2
105.04144	0.2
115.57688	0.2
117.95121	0.2
129.47585	0.2
133.02959	8.0
134.03294	0.4
148.01717	0.5
149.02432	1.1
149.06076	0.2
168.23756	0.2
176.01158	1.0
177.01921	100.0
178.02260	5.0
219.02866	0.2
471.11426	13.8
472.11792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72826	0.1
71.19672	0.3
72.65610	0.2
73.85337	0.2
80.97068	0.2
81.03462	0.3
81.84071	0.2
87.39576	0.2
88.39632	0.2
89.03975	1.9
93.03474	0.2
94.23434	0.1
95.05096	0.2
96.38345	0.2
105.03462	3.5
107.01380	0.2
109.02927	0.2
133.02960	9.2
134.03293	0.3
148.98059	0.2
149.02425	1.3
160.04066	0.2
177.01932	100.0
178.02269	5.7
246.71233	0.1
471.11298	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3319
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
61.98825	3.5
66.15900	0.5
76.08508	0.6
76.79017	0.8
78.40681	0.7
83.05022	1.9
98.20614	1.8
102.60150	0.6
160.84232	1.9
175.41136	0.6
208.92909	0.6
238.78267	0.7
260.20407	0.7
380.39606	0.7
441.29596	0.7
469.33206	100.0
470.33591	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56631	3.8
59.01387	14.0
65.00304	4.3
68.99825	11.6
72.99297	24.2
84.99287	6.3
85.17443	4.0
87.00877	29.7
90.19820	3.3
112.98802	69.0
117.03486	18.1
119.05022	97.9
120.05379	6.0
127.00381	13.3
130.99887	4.8
132.02159	6.3
134.03741	51.5
135.04562	6.6
143.05016	4.9
145.02960	67.3
147.04523	43.6
149.06065	21.5
151.04001	4.4
160.01666	25.4
160.24713	4.4
161.02379	11.8
161.06044	6.9
162.03270	23.7
163.03999	33.8
164.04407	4.9
175.04002	56.6
176.04549	5.2
177.05530	10.0
178.02713	8.1
189.05678	5.2
190.02718	9.8
191.07132	7.4
193.05110	24.0
202.02718	7.1
203.03516	95.8
204.03740	4.9
205.05081	20.1
215.03503	22.5
218.02225	5.4
219.06659	4.4
229.16678	5.4
230.02226	3.7
233.04541	81.6
234.04901	5.6
245.04506	12.9
259.02454	15.8
275.04678	3.8
277.03506	100.0
278.03970	7.0
289.03491	13.7
307.04611	86.1
307.08087	6.3
308.05017	8.3
358.37320	4.2
397.13904	4.9
461.17569	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	471.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55917	1.2
57.03450	1.4
59.01380	67.3
61.98820	3.8
65.00323	2.4
68.02536	22.1
68.99799	4.3
69.58815	3.0
69.59227	7.8
71.01384	6.5
72.99301	15.5
73.02928	2.4
83.01371	1.9
83.05032	1.2
85.02968	2.7
87.00868	26.9
89.02458	3.3
96.95972	1.3
99.00883	1.6
101.02460	5.8
103.00379	15.3
111.00885	2.0
112.98828	13.0
113.02453	4.3
117.03478	8.4
119.05024	58.3
120.05367	2.1
121.02948	3.5
126.99572	100.0
127.00391	7.6
130.99873	12.2
131.05055	1.4
132.02147	2.0
133.03006	2.4
134.03743	31.0
135.04500	3.6
137.02414	2.5
143.04991	4.1
145.02956	32.1
147.04527	19.4
148.04834	2.0
149.00978	6.2
149.06068	12.7
151.03976	1.6
154.99838	2.7
159.04517	2.3
160.01653	9.9
161.02458	6.5
161.06093	3.0
162.03281	7.9
163.04007	29.3
164.04333	2.5
171.04520	1.8
175.04005	32.5
176.04552	2.9
177.05505	2.7
178.02663	8.5
190.02748	7.6
192.02449	1.3
193.05054	48.6
194.05348	3.0
199.06113	1.9
202.02730	2.7
203.03491	53.5
204.03880	2.6
205.05023	9.0
207.10239	1.9
209.34932	1.5
215.03479	11.2
218.02226	2.0
223.13411	8.2
230.02261	2.9
233.02298	2.3
233.04533	34.8
234.04897	2.6
235.06111	2.1
245.04445	4.1
259.02460	9.6
263.05582	1.5
267.12320	5.8
277.03525	40.3
278.03903	3.1
289.03488	5.1
295.04684	2.3
307.04581	43.2
308.04895	4.5
325.05502	7.0
471.26099	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.8
59.01373	6.4
61.98798	1.2
69.90725	6.0
71.01385	8.1
73.02966	1.6
78.98594	5.0
79.95744	8.2
80.96515	50.2
83.01409	1.9
85.02933	2.9
87.00882	3.5
94.98080	14.1
96.96008	1.9
101.02442	3.3
106.98104	2.2
121.02960	3.7
122.97583	5.1
125.02454	3.1
125.03295	1.5
134.97583	3.8
135.04504	5.0
136.99211	1.6
139.00372	1.9
145.02885	1.8
148.99165	4.3
149.02448	20.3
152.01157	5.2
152.98654	6.5
163.04062	4.1
164.04785	13.4
164.98636	9.5
171.10225	3.5
179.07167	5.7
182.99750	2.9
192.95633	1.5
193.01387	13.3
206.99695	2.7
208.03769	24.5
218.81204	1.4
223.06102	65.9
224.06474	3.5
225.00711	15.4
471.15414	100.0
472.15646	11.6
497.77151	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51717	3.0
51.83641	3.3
52.04662	2.9
55.01871	5.1
57.03444	6.2
59.01380	18.7
66.20489	3.1
67.47487	3.6
68.99813	10.0
70.45938	10.9
71.01380	37.8
72.99306	15.6
73.02936	3.9
75.00881	4.1
75.02575	7.5
83.01393	29.7
84.01729	3.9
85.01034	7.9
85.02954	9.5
87.00867	9.3
88.98815	3.6
89.02481	3.6
89.32552	3.0
96.96034	11.2
96.96964	5.4
99.00900	31.5
100.98830	6.1
101.02448	8.0
103.00393	3.6
109.16911	3.3
111.00871	37.7
112.98813	97.7
113.99139	4.6
115.00362	13.5
116.00807	3.8
117.01922	8.4
127.00381	3.6
128.03511	14.9
129.01955	18.2
135.04517	11.1
142.99864	13.9
143.01590	5.3
143.03516	7.4
145.01436	83.1
154.99899	4.2
157.01439	4.5
161.04460	3.8
171.01086	13.3
173.00888	23.1
179.03517	5.6
187.02502	5.7
199.00490	5.4
203.03714	4.2
205.03479	6.6
208.10905	3.2
210.07683	8.2
231.03230	23.5
245.04735	6.6
263.05817	64.1
372.13281	7.4
409.08215	5.4
419.05865	3.5
451.09070	13.0
469.10001	100.0
470.10373	11.3
481.11423	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	469.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	1.4
59.01376	20.3
60.97129	0.8
61.98830	5.2
66.47092	0.9
69.53069	0.7
70.38242	0.8
70.38583	3.0
71.01383	13.2
72.08136	0.8
72.99309	1.3
73.02943	2.6
75.00868	1.0
83.01397	1.5
85.02940	2.9
87.00882	2.4
89.02448	9.9
93.03435	4.5
97.02935	1.1
99.00883	1.0
99.04520	1.3
101.02453	8.9
103.00339	0.9
108.02171	1.5
112.98804	2.7
113.02441	6.2
117.03462	9.9
119.03532	3.0
119.05027	77.0
120.05345	3.2
121.02963	5.2
123.04458	1.7
125.02463	0.9
131.05009	2.8
132.05801	5.9
133.02948	3.1
133.06595	29.5
134.03752	2.0
134.06975	1.4
135.04520	2.3
137.02420	1.4
145.02956	62.6
145.39949	1.0
146.03314	2.5
147.04492	3.6
148.05368	1.0
149.00893	1.2
149.06078	1.3
159.04485	2.3
161.06081	70.2
162.03195	2.3
162.06392	3.8
163.04008	93.4
164.04320	5.3
175.03940	0.9
177.05580	37.3
178.05905	1.6
179.03470	1.0
187.03981	3.4
205.05045	78.6
206.05432	4.7
207.45895	0.9
217.92873	0.9
235.06097	24.7
236.06422	2.5
265.07169	43.8
266.07504	2.9
307.11908	1.0
323.13443	37.0
324.13766	3.5
325.09317	2.9
469.17081	100.0
470.17416	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	469.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.0
59.01381	7.5
66.49188	1.7
68.99827	4.2
69.03451	8.1
71.01378	12.0
71.62356	2.5
72.99319	8.2
73.03934	1.6
76.27813	1.5
78.95900	2.9
83.01392	3.9
85.02947	33.7
87.00879	12.9
87.04514	4.4
97.02943	13.7
99.00887	7.8
111.00887	4.3
111.89012	1.6
113.02425	2.1
115.03999	7.0
129.01935	25.2
141.01939	9.7
144.15480	1.7
153.45593	1.6
159.02992	5.5
191.05597	24.5
196.89363	1.9
198.07101	1.7
209.06642	4.0
245.42104	1.9
277.21704	100.0
278.22055	11.3
318.48007	2.1
328.45947	1.7
345.24319	5.8
391.19104	1.9
419.24362	2.8
469.27963	87.0
469.33289	7.8
470.28406	13.4
470.34039	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	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
57.54036	0.3
59.01376	6.4
61.01814	0.4
61.98831	100.0
63.12132	0.4
64.62022	0.4
64.95248	0.4
66.21670	0.4
68.61239	0.3
69.72552	2.4
71.01383	7.1
71.05025	1.4
73.02947	0.8
73.83027	0.4
78.07256	0.4
83.53735	0.5
85.02950	1.2
87.00892	1.2
88.04052	1.2
89.02456	1.7
99.04544	0.7
101.02448	1.7
109.02963	1.2
110.02476	0.4
113.02452	1.0
119.03499	0.5
119.05080	0.6
121.02998	1.6
126.05614	4.1
135.04558	1.0
137.02467	0.4
146.08247	7.3
149.00935	0.7
161.02443	0.4
161.04570	0.9
163.04033	0.5
165.01932	0.7
179.07108	2.2
180.04277	0.7
184.09711	0.5
195.06683	2.2
218.10394	1.0
225.07690	0.6
267.10934	1.4
306.13416	4.4
307.55698	0.4
309.09598	0.6
321.11850	0.7
468.19098	3.2
469.19196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38835	0.3
54.70861	0.4
57.18207	0.4
59.01380	2.7
61.98832	100.0
63.25746	0.3
63.81034	0.3
63.99263	0.4
70.83142	0.7
71.01392	1.5
78.95928	0.4
85.02975	0.9
87.00926	0.5
89.02461	1.2
101.02479	0.8
110.06097	0.4
111.00893	0.6
113.02428	0.5
119.03493	0.4
137.02478	1.2
149.00938	0.5
163.04018	0.6
165.01935	5.6
169.94908	0.3
177.02014	0.5
179.03545	0.8
180.04318	3.8
195.06633	7.2
210.05318	0.4
225.07677	2.4
361.13043	0.3
421.15173	0.8
427.18213	0.7
469.18875	0.4
470.81082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06226	0.4
59.01091	0.7
59.01379	8.1
60.01705	0.8
61.01813	0.5
61.98831	100.0
69.87283	0.4
70.05604	1.5
71.01370	2.5
72.99303	0.4
76.86741	0.4
78.95930	0.5
83.01376	0.4
85.02969	0.9
87.00870	0.8
89.02454	2.3
98.20618	0.5
99.00883	0.6
101.02441	1.5
104.04450	0.4
113.02471	1.2
119.03534	0.9
119.05024	0.5
132.91409	0.4
133.24316	0.4
134.03709	0.4
135.04539	0.7
137.02457	1.6
144.33130	0.4
148.05251	1.1
149.00963	0.6
161.04633	0.6
163.07687	1.0
164.01147	0.5
165.01927	10.0
165.03233	0.8
179.03531	2.4
179.05641	0.4
180.04277	6.7
181.04964	0.4
188.04874	0.7
195.06621	15.0
210.05406	0.5
221.08205	1.1
225.07687	4.9
265.07358	0.5
333.07864	0.4
361.12933	1.0
408.22943	0.9
421.15027	2.2
425.14780	0.6
450.38272	0.4
450.44949	0.5
468.16583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	2.0
59.01374	3.6
61.98832	100.0
69.81662	1.2
70.74364	2.9
78.95892	1.6
101.07249	1.2
116.35488	1.1
127.05149	10.4
128.03554	1.8
137.10231	1.0
145.06204	9.8
152.99564	2.2
222.23329	1.1
239.20209	5.3
240.20515	9.0
245.04344	1.3
248.41783	1.1
250.31287	1.0
343.27448	3.4
405.27594	42.3
406.27682	5.0
427.82471	1.2
446.78833	1.1
468.24530	4.2
469.32980	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	467.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61761	0.6
52.90655	0.5
59.01384	3.5
60.70531	0.6
61.98824	5.5
64.62031	0.6
70.63444	1.0
70.63848	1.2
78.95905	10.8
82.58221	0.5
83.20289	0.5
85.02255	0.7
96.96928	0.8
112.86509	0.6
130.30937	0.7
152.99576	19.9
171.00644	2.1
221.19128	0.8
227.03227	2.6
235.54478	0.6
239.20152	100.0
240.20496	9.4
245.04283	6.1
255.12877	0.7
257.28214	0.6
298.31882	0.6
467.24103	30.5
468.24518	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	467.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83254	2.0
59.01363	4.3
61.98841	3.6
78.95464	3.5
78.95901	50.6
96.95961	3.2
96.96949	4.1
152.99593	75.9
171.00633	19.3
227.03249	6.6
239.20169	82.4
240.20430	6.5
245.04303	100.0
246.04587	2.6
277.21854	2.5
467.24054	49.7
467.30511	2.4
468.24249	9.7
483.37259	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53793	0.5
57.03453	8.4
59.01364	0.7
64.31046	0.6
70.29587	2.2
71.05025	15.7
76.21130	0.5
85.02943	0.6
94.10704	0.5
97.95964	0.5
99.04520	100.0
100.04843	2.1
100.83239	0.7
111.08161	11.3
115.42525	0.6
143.03503	6.3
166.45892	0.6
198.54430	0.5
201.04085	0.6
356.42163	0.6
363.32718	1.4
423.34839	1.2
467.33585	3.8
481.19324	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
60.01735	0.6
61.01812	0.8
61.98833	100.0
70.98781	0.8
71.01387	1.1
74.02477	0.4
89.02467	1.4
90.96812	0.5
101.02464	0.6
131.03471	0.4
143.80594	0.5
144.70909	0.4
149.00821	0.5
149.04607	0.8
161.97751	0.5
195.06619	0.6
209.06033	0.4
232.21384	0.6
296.69287	0.4
398.32925	0.4
456.49124	0.5
468.18860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.5
61.98832	100.0
62.94483	0.4
63.16875	0.5
69.57684	2.4
71.01379	1.1
87.00924	0.4
88.88141	0.4
89.02493	0.6
101.02433	0.7
109.02927	0.4
119.03525	0.5
121.03008	0.4
126.05598	0.8
146.08252	0.5
160.61360	0.4
165.01909	0.7
179.07106	1.1
182.97336	0.4
195.06750	1.0
214.51775	0.5
306.13467	0.9
408.22098	0.8
457.14978	0.4
468.19400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99793	1.0
57.01708	1.1
57.03438	2.1
58.00592	4.2
59.01380	100.0
60.01749	1.1
61.07895	1.1
61.85154	1.2
66.28126	1.0
69.03465	2.6
69.59515	6.0
71.01393	1.1
72.99310	4.7
74.65147	1.0
83.04988	1.5
87.00879	56.1
88.01200	1.4
88.27818	1.0
91.08101	1.2
99.04506	6.9
103.00375	55.8
109.02916	1.0
110.61432	1.2
112.98807	4.7
130.99876	30.8
131.00864	2.0
132.00175	1.2
134.03770	2.1
189.42892	1.1
223.13361	3.1
247.17017	11.4
248.17340	1.4
256.04636	1.0
265.18106	4.4
266.18304	1.1
286.64508	1.0
326.54834	1.1
335.22269	75.7
336.22595	10.8
467.22977	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	467.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32283	0.6
57.03447	1.1
58.00597	0.6
59.01380	100.0
60.01725	1.2
61.98827	1.8
63.82779	0.5
69.03480	1.0
69.33369	4.9
71.01384	22.0
72.99319	1.9
73.02948	29.0
75.00888	0.8
76.32368	0.5
76.68867	0.5
77.58742	0.5
81.03462	0.6
83.01390	9.2
85.02965	4.5
87.00892	2.6
89.02436	4.1
93.54515	0.5
95.01394	0.8
96.95995	0.7
97.02967	0.7
98.20655	0.9
99.00915	0.8
101.02441	26.2
102.02856	0.6
103.00365	1.7
108.02192	1.4
109.02965	0.9
112.98852	1.4
113.02444	8.2
114.02786	0.6
119.03488	1.7
119.05041	1.3
119.10823	0.5
121.02966	0.8
125.02476	1.2
131.03535	2.0
133.02896	0.6
134.03738	1.6
135.04506	3.4
137.02484	0.5
143.03531	2.3
145.02931	0.6
149.00940	1.2
149.04523	2.5
151.07619	0.7
152.01198	1.4
155.03511	0.9
161.02457	0.8
161.04538	5.8
163.04056	1.8
178.02768	0.6
179.03531	1.8
180.71382	0.6
185.13385	0.8
191.02048	0.6
201.16478	31.3
202.15170	0.5
202.16756	2.5
221.06712	0.6
245.15564	2.1
270.88846	0.6
280.60556	0.6
291.16003	1.3
373.26065	2.2
467.17319	0.8
467.23004	7.1
467.28409	0.6
468.23523	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71814	0.4
57.03438	1.3
57.71836	0.5
58.00588	0.7
59.01378	21.8
60.01707	1.8
61.98829	100.0
70.57643	1.5
71.01003	0.8
71.01380	8.3
72.01740	0.4
72.99302	1.2
73.02959	1.6
73.63391	0.5
75.00899	0.7
75.16609	0.5
76.10783	0.5
78.95914	1.5
82.02975	5.5
83.01411	0.6
84.18438	0.4
85.02957	3.4
87.00871	2.6
88.04040	0.6
89.02441	6.3
101.02442	4.6
103.04032	0.8
109.02995	0.6
111.00851	0.6
112.98779	1.0
113.02454	2.8
116.07162	2.6
117.03490	1.3
119.03527	2.3
119.05094	0.8
120.01276	0.9
121.02969	0.5
122.06122	1.2
123.04480	0.8
125.02504	0.8
130.99841	0.8
131.03575	0.6
133.02997	0.6
134.03780	0.6
135.04556	3.5
138.05608	7.5
140.07175	0.8
143.03543	0.8
145.02951	15.0
146.08243	1.4
146.65129	0.6
149.00911	2.5
161.02441	0.8
161.04605	2.1
163.04004	1.3
176.07172	0.6
179.03500	1.4
179.05608	1.2
181.05135	0.8
193.05063	0.8
194.28958	0.6
203.03488	0.5
204.06754	1.5
218.10468	0.6
225.15233	0.5
233.09233	3.1
244.09747	0.7
244.16264	0.6
245.09383	2.8
245.17754	0.9
247.05481	1.1
261.07782	0.6
261.12595	0.7
262.10806	8.4
265.09259	0.6
272.09232	0.7
285.12393	1.5
286.12756	4.8
287.10349	6.9
287.13208	0.9
305.11371	2.7
311.82217	0.5
323.13470	1.2
379.18552	0.6
405.21307	0.9
406.21725	3.5
407.22968	2.0
466.18719	2.2
467.16541	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	467.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03192	1.3
57.03453	24.6
58.00578	2.6
59.01382	100.0
60.01699	1.2
61.98833	43.8
63.99255	1.2
69.03458	2.0
69.89604	2.8
69.90018	4.2
70.91512	1.2
71.01385	45.2
71.05025	1.5
72.01727	2.1
72.99323	7.0
73.02950	39.0
75.00863	4.6
78.95903	2.4
79.05515	3.0
80.91687	9.0
81.03450	1.6
83.01389	12.3
83.47921	1.1
85.02956	15.8
87.00880	7.3
89.02449	28.6
89.49963	1.3
91.17761	1.3
93.03465	1.4
93.38997	1.1
95.01395	2.6
97.02928	1.4
97.06612	1.5
98.20581	2.6
99.00871	1.9
99.04523	17.1
101.02448	49.3
102.02753	1.4
103.00385	2.7
105.01981	1.5
108.02135	1.3
109.02994	1.8
113.02450	18.6
113.06106	3.1
116.07136	1.4
117.03479	2.2
119.03516	12.5
119.04987	6.0
123.04535	12.6
125.02431	6.0
131.03506	3.9
134.03772	1.4
135.04543	13.1
137.02446	1.9
138.05615	2.4
141.05571	3.5
143.03479	4.3
145.02963	16.0
146.03323	5.8
149.00941	12.4
149.04555	2.8
161.02460	2.1
161.04550	16.1
163.04022	5.0
173.08203	1.6
176.01755	2.5
179.03506	4.4
179.05585	4.8
189.14931	1.3
191.01964	2.2
193.49648	1.2
195.06636	2.8
204.04918	2.0
245.17557	2.5
247.05490	5.7
262.10757	2.8
263.07587	2.7
263.11099	5.4
269.81296	1.4
277.81055	1.4
287.10303	1.4
291.04395	2.6
305.11661	1.8
319.21317	3.0
323.10043	2.9
323.13461	65.6
323.16772	2.9
324.13785	5.2
335.03693	3.0
365.14520	42.2
366.14859	4.8
399.26718	1.2
405.17697	8.3
407.22858	27.8
408.23126	2.4
429.14124	5.0
467.17657	50.6
467.28937	2.8
468.18036	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.1
59.01381	100.0
61.98841	2.2
70.08958	3.6
71.01389	17.8
73.02947	2.7
78.92898	0.9
83.01390	1.5
85.02936	4.4
89.02446	25.7
92.22797	1.0
99.00857	1.8
101.02451	12.6
108.93016	0.8
113.02453	11.4
119.03503	11.3
134.07367	1.8
139.07672	1.8
143.03500	3.1
149.04578	2.0
149.09720	15.1
150.10095	1.4
153.09213	8.8
157.75523	0.9
161.04564	9.0
167.10768	30.0
168.11096	1.8
179.05615	7.2
225.14989	8.1
243.15979	10.2
339.48224	1.0
405.21301	33.8
406.21341	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
57.26287	0.5
58.00598	0.7
59.01379	100.0
60.01717	1.5
61.98820	4.0
69.52155	1.7
69.52585	2.2
71.01379	12.3
71.31866	0.6
73.02947	3.1
81.03469	0.9
83.01382	1.0
85.02950	3.4
87.00881	0.7
89.02439	6.0
95.01404	0.8
98.03754	0.9
99.00892	1.1
99.04526	0.8
101.02445	6.7
113.02457	6.0
119.03512	1.9
133.43394	0.5
135.04533	0.7
141.09242	3.5
143.03534	1.6
153.09305	1.2
155.64255	0.6
159.03027	2.2
161.04558	11.8
165.09167	2.7
179.05629	1.9
197.86177	0.5
205.12553	0.6
207.13943	1.5
223.13536	0.7
225.14978	0.6
243.16008	12.7
243.32681	0.5
244.16476	1.0
347.06711	0.7
364.18814	0.6
381.84354	0.5
405.21283	17.4
406.21759	1.1
445.86890	0.6
465.23749	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.9
58.93098	0.8
59.01381	100.0
61.98828	1.6
69.68639	5.5
71.01383	13.1
83.01382	1.4
85.02963	2.4
89.02443	19.6
95.43784	0.8
101.02452	9.1
113.02419	6.9
116.92846	0.9
119.03500	8.4
131.03514	1.5
135.04524	2.8
140.07162	2.6
143.03476	3.0
149.01004	0.7
149.09706	7.6
153.09189	2.5
161.04561	6.3
167.10770	14.8
170.11548	0.8
179.05615	8.0
225.14948	3.1
243.16043	3.4
251.13365	0.8
359.98224	0.8
405.21259	16.1
465.23270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23682	0.4
57.12380	0.5
59.01386	7.4
61.98830	100.0
67.03286	0.5
70.32641	0.5
70.78155	0.4
71.01396	1.8
71.20682	1.3
89.02440	0.9
98.03144	0.5
99.62643	0.5
101.02464	1.3
113.02458	0.6
140.71788	0.5
145.02953	1.0
161.04524	0.6
169.65607	0.6
179.05766	0.7
185.37405	0.4
196.24619	0.5
229.92648	0.5
286.12839	0.9
406.21609	1.0
467.25412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40672	1.0
58.00586	3.0
58.03777	0.9
59.01383	64.1
60.01720	1.2
61.98819	1.4
69.29552	3.8
69.29980	6.1
72.99322	4.8
78.95908	19.9
87.00875	35.7
96.96030	2.1
96.96987	1.7
98.20574	2.3
102.99700	2.1
103.00375	37.2
107.18966	0.9
112.75455	1.1
112.98811	8.4
127.05267	1.0
130.99869	20.0
135.04530	1.7
149.00902	1.9
152.99583	35.0
153.99768	1.2
163.03920	1.2
169.59673	1.0
171.00584	1.6
179.03311	1.4
183.13954	1.1
271.20746	1.5
289.21735	70.8
290.22034	8.9
333.20703	100.0
334.21008	10.6
342.91895	1.1
401.66138	1.1
451.60989	1.3
465.21387	28.7
466.21732	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79250	1.3
57.03436	3.7
58.00600	2.2
59.01381	100.0
60.01714	1.3
61.98838	7.2
69.46726	5.7
69.47137	3.3
71.01380	40.4
72.99305	4.4
73.02945	4.6
75.00873	2.5
82.36624	1.0
82.74778	1.1
83.01385	2.1
84.21881	1.1
85.02944	6.5
87.00878	4.3
89.02445	58.5
90.02756	1.5
95.01377	2.5
99.00879	2.9
99.04532	1.1
101.02449	25.0
103.00396	1.7
106.06482	1.2
109.02959	2.1
112.98817	1.7
113.02436	17.4
119.03505	24.4
119.05021	3.7
123.04542	1.6
125.02425	1.3
131.03482	3.0
135.04549	7.8
136.01584	1.1
137.02423	1.9
138.05638	1.4
139.03987	4.1
143.03471	6.0
145.02974	5.9
148.01646	2.0
149.00902	2.8
149.04535	4.9
151.00345	2.7
152.01175	1.6
161.02466	1.8
161.04575	7.9
163.04001	1.6
165.15604	1.1
171.06612	3.5
179.03452	3.0
179.05592	20.9
183.13913	4.0
197.15474	4.5
232.23149	1.1
234.08595	1.2
243.15993	94.5
244.16417	5.7
257.17639	1.1
258.05246	2.0
262.10843	3.6
273.07678	8.5
285.04083	1.7
285.07742	2.4
285.12527	2.1
303.08722	2.3
304.11835	1.3
403.15356	2.0
405.21164	2.8
465.19687	3.6
465.26404	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36533	0.5
52.50394	0.5
57.03446	1.0
57.33962	0.6
59.01381	100.0
60.01713	0.6
61.69198	0.6
61.98837	0.9
66.81969	0.5
69.51010	3.7
71.01388	10.7
72.99323	0.6
73.02953	0.6
73.97609	0.6
83.01401	0.7
85.02933	1.4
89.02446	15.7
95.01423	0.8
101.02444	6.4
113.02436	5.0
119.03513	7.8
125.02425	0.5
131.03520	1.0
143.03546	1.5
149.09723	1.8
153.09279	1.0
158.33188	0.5
161.04584	3.7
167.10753	3.8
179.05580	6.5
243.16127	0.9
252.47801	0.6
405.21323	11.5
405.26218	0.9
406.21933	0.9
459.01529	0.6
465.24139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01378	5.0
61.98836	3.4
71.01377	1.2
71.62624	0.5
72.99330	0.7
78.95906	1.6
85.02926	0.6
87.00877	100.0
88.01213	1.5
96.96008	0.6
101.02459	1.0
103.00354	1.8
109.02936	0.5
112.98825	1.3
113.02478	0.5
121.02944	0.9
122.03742	1.3
127.04222	0.4
130.99864	52.5
132.00206	1.4
133.02972	0.9
134.03738	1.1
135.04501	3.3
136.05310	0.7
137.02408	2.0
146.03732	1.1
147.04538	1.3
149.00891	2.6
149.02376	0.6
152.99602	2.6
161.02415	0.6
161.06094	0.4
162.03275	0.7
163.04018	1.2
172.05286	0.4
173.06102	0.5
175.03995	0.4
177.01938	0.7
178.02704	1.4
179.03548	2.4
179.26506	0.4
187.03954	0.5
189.05446	0.4
191.03372	0.4
192.04277	0.6
199.07623	0.3
211.13435	1.4
218.09407	0.4
254.04308	45.9
255.04634	2.9
259.13174	0.4
271.13321	0.5
287.16537	1.4
293.02881	0.5
297.15042	2.0
315.15988	2.0
323.16675	0.5
333.13428	0.7
333.17111	0.8
333.20660	0.8
341.17343	0.6
343.15466	0.8
361.16330	0.5
375.18146	0.5
385.16492	0.7
387.14456	0.5
405.15527	0.5
429.15475	1.1
447.16605	2.7
447.30853	0.4
448.17120	0.5
465.17575	19.5
465.31845	1.1
466.17950	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
61.98825	2.5
69.28068	1.0
69.28479	4.8
71.01385	1.3
78.95917	2.0
87.00878	100.0
88.01222	1.9
98.90028	0.6
101.02425	0.7
103.00354	0.9
108.02142	0.6
109.02953	0.6
112.98816	1.6
113.02492	0.9
113.88987	0.6
121.02941	1.5
122.03723	3.1
130.99864	59.5
132.00171	0.6
134.03761	1.5
135.04564	3.4
137.02466	3.5
147.04477	1.0
149.00883	2.2
151.31505	0.6
152.99553	2.1
159.69679	0.6
163.04088	0.9
178.02739	0.9
179.03505	1.5
211.13391	1.8
222.37164	0.6
254.04314	48.2
255.04704	3.5
287.16537	0.7
297.14877	1.5
315.15994	2.0
333.13571	0.9
404.10214	0.8
447.16733	1.4
465.17639	16.8
465.32434	1.4
466.18054	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1036
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03455	1.5
59.01380	8.6
60.67536	0.7
61.98833	4.8
63.02389	2.2
64.67215	0.7
64.99998	0.6
65.00320	16.0
70.92705	0.9
70.93050	1.3
71.01391	4.2
72.99313	1.0
73.02952	0.8
73.71202	0.8
83.01378	5.9
84.34808	0.7
87.00880	1.8
89.02435	2.9
94.87131	0.7
99.00869	0.7
101.02444	2.4
105.03467	0.8
107.01393	23.9
108.04525	0.7
109.02914	0.9
113.02450	1.3
119.03497	0.8
119.05038	1.4
121.02985	0.6
122.03743	0.8
123.04515	8.6
124.01656	0.9
125.02441	11.2
133.02962	3.7
135.04504	4.6
137.02397	0.9
145.02957	6.8
147.04489	0.6
149.00891	0.8
149.02451	1.8
150.02115	1.2
150.03221	11.5
151.00369	100.0
151.04001	21.5
152.01001	6.3
153.01939	0.8
161.02461	0.9
163.04048	0.7
165.05573	0.8
169.01385	1.7
175.04012	2.0
176.74602	0.7
177.01868	1.0
178.99904	5.9
179.03477	1.0
183.61531	0.6
185.06136	1.1
198.03073	1.0
199.04036	2.1
201.02007	0.9
209.11758	1.0
210.12094	0.8
217.04988	1.2
241.05020	2.2
257.04459	0.8
262.10864	3.3
267.02881	0.9
285.04041	55.7
286.04388	4.5
302.04431	0.9
303.05029	2.3
303.13507	0.9
313.09296	2.3
319.82022	0.8
339.07111	3.5
340.18790	0.7
405.21231	1.7
465.10373	13.9
466.10599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
50.93008	0.9
57.03445	13.2
59.01091	1.6
59.01378	28.1
61.98838	11.3
65.00336	8.9
66.84359	0.8
71.01392	8.5
71.61562	1.5
71.61943	1.3
72.99284	1.9
73.02950	2.0
75.00877	2.8
83.01389	7.2
83.05088	1.1
85.02943	4.7
87.00865	6.1
89.02441	6.1
93.03446	2.0
95.01405	4.9
95.69147	1.1
99.00851	2.3
101.02463	6.0
103.00357	1.7
107.01405	9.0
109.02939	4.7
111.00906	2.4
112.98815	2.9
113.02448	4.1
116.92844	3.0
119.03506	1.7
119.05038	5.1
121.02933	2.2
122.06110	1.5
123.00852	2.7
123.04549	7.4
124.01678	7.6
125.02448	100.0
126.02761	3.0
131.28676	1.1
133.02928	4.5
133.03889	1.0
134.03711	1.2
135.04535	9.9
136.07690	1.2
137.02434	3.7
139.00383	1.3
139.03983	3.0
139.05965	1.1
145.02902	2.1
147.04510	3.3
148.75876	1.1
149.00928	3.3
149.02411	5.0
149.04553	1.6
149.06081	1.4
150.03239	6.3
151.00368	48.3
151.03993	11.7
152.01195	13.8
152.04340	1.2
153.01973	6.5
159.04413	1.4
160.01614	1.6
161.02432	2.9
161.04524	1.9
161.06029	1.4
163.00327	1.7
163.03998	4.4
165.05577	1.3
167.03514	1.1
169.01431	1.1
173.06091	2.3
174.03235	2.2
175.03995	8.4
176.01103	2.7
177.01860	3.9
178.99869	10.3
179.03476	5.1
180.06665	1.1
181.01463	1.5
185.11821	4.7
188.04762	1.8
189.05556	6.1
191.03477	1.9
193.05051	3.2
199.03952	3.8
203.07341	1.2
213.05573	1.0
215.03549	1.2
215.07179	1.8
215.11911	1.6
217.05032	11.2
218.05586	1.1
219.02974	2.3
231.06660	1.9
241.05072	2.6
241.10065	1.9
241.24925	1.1
257.04532	1.5
259.06116	16.0
260.06497	1.3
274.04883	2.3
275.05573	6.9
285.04041	48.1
285.12173	1.2
286.04355	4.0
303.05133	10.3
303.21692	3.9
339.07190	1.6
421.11490	1.7
437.10852	18.0
438.11343	1.3
447.09247	8.3
465.10284	73.6
465.20111	3.0
465.27081	7.4
466.10663	9.0
466.27023	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47325	0.4
59.01377	2.4
61.98829	100.0
69.50182	1.2
69.50589	1.4
71.01376	0.9
72.99338	0.4
73.02954	0.5
82.29269	0.4
87.00896	0.3
89.02488	0.9
98.19881	0.6
101.02461	0.6
113.02460	0.6
128.03505	0.4
135.04578	0.5
138.05685	0.7
145.02951	0.9
149.00885	0.7
159.52473	0.4
161.04836	1.2
162.44659	0.4
163.04034	0.5
193.03819	0.5
240.08980	0.4
251.88104	0.4
275.75714	0.3
283.10837	0.9
284.11298	2.6
301.90915	0.4
330.15762	0.4
339.96219	0.4
373.14139	0.7
374.14584	1.3
405.21786	0.4
424.96628	0.4
429.14334	0.6
464.17340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	58.3
60.01729	1.2
61.98828	22.2
69.59082	8.4
71.01383	14.4
72.99303	3.2
73.02969	2.9
75.17529	1.0
83.01379	1.6
85.02950	5.0
87.00887	1.8
87.96026	1.2
89.02444	13.0
93.03448	2.1
95.01373	2.8
96.96018	1.6
101.02458	8.4
107.04966	1.2
108.02171	5.0
109.02947	3.5
113.02425	6.7
115.43573	1.1
119.03523	6.0
119.05058	1.4
121.02953	6.0
122.03758	3.9
123.04541	24.8
125.02444	3.2
134.35846	1.2
135.04515	8.0
136.01668	3.0
143.03569	1.8
147.04443	1.3
149.02448	29.5
150.03113	2.6
151.00316	1.6
151.03996	21.2
152.04395	1.6
159.04507	1.7
160.04027	2.6
161.04581	5.3
163.00435	1.3
163.04033	7.8
165.05560	2.8
166.05066	2.2
173.06117	2.8
174.03203	2.0
175.04012	4.7
179.05588	3.6
181.05124	2.4
185.06094	1.5
186.06866	2.3
187.03923	2.2
188.04816	1.7
189.05547	2.3
199.03986	1.6
199.07584	3.5
201.05603	2.3
201.09047	1.7
212.04797	3.8
213.05652	2.3
213.70172	1.4
214.02606	1.2
216.04169	1.5
217.05080	1.9
217.08623	1.7
225.05577	2.9
226.06021	1.9
227.03426	1.3
227.07091	4.2
228.04251	3.6
229.05023	4.3
230.05830	17.7
231.06464	3.1
241.05077	1.8
242.05789	2.0
243.06470	2.2
243.16022	2.8
245.08145	17.7
246.08405	1.5
255.06671	1.7
257.04483	3.5
257.08160	2.5
258.05310	6.0
259.06113	4.3
269.04651	1.4
271.06122	5.2
271.09140	1.3
272.09326	1.8
273.07687	9.6
283.06238	1.9
285.04190	2.8
285.07773	3.6
285.12424	1.7
295.98740	1.3
301.07172	100.0
302.07431	9.7
303.04980	1.6
303.09576	2.3
313.07269	7.1
314.07516	1.9
331.08188	20.9
332.08459	1.8
338.37018	1.2
343.08011	2.4
345.06165	13.0
346.06363	1.5
375.06891	1.7
405.21210	11.9
421.11478	6.6
465.09741	14.5
465.15948	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64130	0.3
57.03437	1.2
58.00599	0.6
59.01382	28.1
60.01681	0.4
60.92850	0.3
61.98832	0.9
62.86297	0.4
65.43417	0.4
69.03439	0.5
70.06030	0.3
71.01378	2.2
71.28944	0.7
71.53287	0.4
72.99307	3.1
73.02958	2.2
79.21586	0.4
83.01389	0.4
83.05029	0.8
84.99348	0.5
85.02964	0.8
87.00882	17.6
87.01422	0.9
88.01238	0.5
89.02448	1.2
93.03492	0.7
95.05022	0.5
97.02910	0.4
99.00864	0.6
99.92608	0.7
101.02435	1.2
101.06063	0.4
103.00371	8.3
105.03481	1.8
109.02953	0.9
112.98804	2.5
113.02467	0.7
115.92089	1.7
116.92872	0.4
119.05036	1.2
121.02981	1.3
123.04479	0.4
129.52710	0.4
130.99866	4.8
133.02954	12.6
134.03769	7.3
135.04535	3.8
137.02457	3.7
139.03990	1.1
144.04547	3.1
145.02916	0.7
147.04430	0.8
149.00943	2.1
149.02391	0.5
150.03191	0.6
151.00385	1.1
159.04510	0.6
161.02444	0.8
161.04552	0.5
161.06046	0.4
163.04007	1.6
163.28986	0.4
168.97299	0.6
173.06100	0.7
175.03979	1.0
177.01938	11.9
178.02724	14.5
178.99796	0.4
179.03416	2.0
180.06610	0.5
183.13887	0.8
187.03857	0.4
193.08699	0.6
199.06105	0.7
199.13364	0.6
203.03442	0.4
205.12338	0.5
209.11832	2.3
211.04047	0.4
211.13359	1.9
215.07106	1.1
216.07948	0.4
219.02888	0.4
223.13364	1.8
227.03474	0.4
227.16481	1.6
243.02936	0.7
253.09279	0.6
255.02977	1.7
257.12878	1.6
257.21252	0.8
267.12341	1.5
271.02475	3.5
300.02744	6.1
301.03464	3.6
301.11978	1.4
309.14819	0.4
311.22232	0.7
313.23907	2.1
327.16125	0.8
329.23325	3.5
331.24896	100.0
332.25226	10.9
345.17117	0.8
433.09613	1.3
434.10391	0.5
463.08868	4.4
463.15952	1.9
463.20688	0.3
463.25552	5.9
463.31223	0.4
464.16461	0.6
464.25974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02213	0.9
57.03437	1.0
57.50117	0.8
58.51242	0.9
59.01380	5.5
61.15683	0.8
61.98821	1.6
63.02410	0.9
64.79601	0.8
67.21886	0.9
67.25163	0.8
71.61465	2.2
72.73190	0.8
78.95905	23.6
97.86393	0.8
100.29567	1.1
110.97816	1.4
110.98532	16.8
113.09721	1.6
143.89702	0.9
149.00072	1.6
151.00311	1.1
167.01134	14.8
171.10229	2.7
182.69858	0.9
185.02213	5.6
194.98824	4.8
195.00351	1.0
195.13907	15.8
205.81371	0.9
209.11797	1.8
243.02914	1.1
255.03003	2.5
264.90213	1.0
271.02472	7.4
277.21710	16.6
278.21979	1.4
280.64203	0.9
291.47717	1.0
295.22775	100.0
296.23111	12.3
300.02777	9.5
301.03540	5.8
463.09515	7.2
463.24646	46.5
464.24786	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	463.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76321	0.5
55.19885	0.6
57.03445	1.1
59.01366	2.4
61.98819	1.2
69.85368	1.5
69.85781	1.8
78.95907	6.4
96.96008	0.9
98.19952	1.1
110.98544	6.0
113.09742	1.8
145.09276	0.5
152.99529	0.7
167.01187	3.2
179.14380	0.8
181.12294	0.8
185.02220	4.9
191.49001	0.6
195.13910	13.7
196.14275	0.9
201.93456	0.7
255.02948	0.8
271.02448	2.2
277.21704	14.1
278.22015	1.3
295.22791	100.0
296.23132	12.4
300.02823	4.5
301.03506	1.5
463.08865	3.2
463.24658	15.9
464.24890	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15019	0.5
57.03452	2.1
59.01380	100.0
60.01722	1.4
61.98828	2.2
68.32005	0.5
69.40562	1.2
69.40973	2.9
71.01381	7.6
71.05009	0.5
73.02956	1.4
83.05047	1.7
85.02964	2.3
89.02448	7.7
98.19916	1.2
101.02428	4.8
113.02439	3.8
116.27799	0.5
119.03531	2.6
135.08157	1.1
140.07152	3.3
143.03519	1.3
153.09250	0.7
161.04593	4.4
163.11319	1.0
165.09271	0.7
169.68210	0.6
170.64258	0.5
175.07657	1.8
179.05620	4.5
187.11282	0.6
189.09183	0.9
205.12347	7.2
206.12605	0.8
223.13403	6.4
228.04654	0.6
241.14360	0.8
297.57666	0.6
370.87222	0.6
403.19745	1.8
463.22171	1.8
464.17224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03467	0.8
58.00599	0.5
59.01380	11.7
61.98858	0.5
69.49772	1.6
69.50184	0.5
71.01382	8.0
71.01756	0.5
72.99335	0.8
73.02934	2.1
75.00888	1.1
76.15763	0.3
80.02651	1.3
81.03479	1.2
83.01402	1.0
83.05026	5.2
84.02193	1.5
85.02951	2.1
87.00877	2.5
87.01286	0.2
89.02449	5.0
92.60757	0.3
93.03493	0.4
95.01402	0.6
95.05055	0.8
99.00875	1.6
99.04523	0.5
101.02444	5.4
103.00387	0.6
107.01366	0.4
108.02212	0.4
108.94741	0.3
109.02975	0.7
111.00885	0.4
112.98794	0.5
113.02468	3.3
119.03499	0.7
119.05087	0.6
121.02974	0.5
125.02473	1.0
125.06104	0.8
131.03520	0.8
135.00941	0.4
135.04524	1.6
135.08107	0.6
137.02519	0.4
143.03549	0.4
147.04518	0.4
149.00928	0.8
149.02567	0.4
149.04579	0.5
151.00363	2.4
161.02443	0.7
161.04544	2.8
161.49828	0.3
163.03967	0.7
163.11282	3.7
165.12822	2.3
178.99881	0.9
179.03529	1.1
179.05525	0.4
181.12427	0.5
191.10771	1.1
199.13365	0.4
209.11826	100.0
210.12157	6.2
227.03465	0.7
227.12880	17.2
228.13206	1.2
235.08147	0.6
243.02980	2.5
253.09290	13.2
254.02135	0.5
254.09546	0.6
255.03001	5.3
256.03519	0.5
271.02472	12.9
272.02875	1.2
299.02133	0.4
300.02759	19.4
301.03491	10.1
302.03802	0.9
327.15967	0.4
331.17593	1.1
419.13370	0.3
419.29898	0.3
420.33170	0.3
434.15479	0.3
463.08676	13.9
463.21326	3.4
463.29373	0.5
464.08832	1.5
464.22122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
59.01384	5.0
61.82807	0.3
71.01389	3.6
71.90562	0.2
71.94136	0.3
73.02951	1.2
76.31483	0.3
83.01382	0.6
83.56885	0.3
85.02946	1.1
87.00875	0.9
89.02445	2.4
101.02445	3.2
104.26451	0.3
111.08154	1.0
112.98790	0.4
113.02442	1.2
119.03471	0.7
125.52663	0.3
133.02946	0.9
133.05032	0.3
134.03735	0.4
143.03482	0.4
161.04559	1.3
165.12840	8.3
166.13252	0.6
177.01967	0.5
178.02718	0.7
179.05675	0.5
183.13895	100.0
184.14227	6.4
200.92458	0.3
209.11812	1.3
213.39812	0.3
227.12877	10.3
228.13182	0.7
235.08217	0.9
253.09261	5.1
254.09550	0.3
264.05438	0.3
300.02838	0.4
445.20706	0.6
463.21838	61.6
464.22159	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47308	0.9
55.01880	0.9
57.03430	2.3
58.00591	1.0
58.22382	1.0
59.01378	100.0
60.01723	1.2
61.00015	1.0
61.98825	4.8
69.58485	6.7
69.58897	2.0
71.01380	16.6
73.02942	5.9
83.01376	2.8
85.02943	5.7
87.00863	1.6
89.02444	15.0
98.19875	1.8
99.00883	2.9
99.04488	1.1
101.02435	12.0
109.02956	1.0
109.23916	1.0
112.14117	0.9
113.02467	4.8
113.06136	1.1
119.03491	6.7
121.18752	1.0
131.03424	1.2
135.04495	2.0
138.05586	3.2
139.05937	1.7
141.09138	1.2
143.03516	1.3
149.04526	1.9
152.29080	1.1
159.03008	1.2
161.04565	7.2
163.11266	1.6
165.09230	1.4
179.03476	1.1
179.05548	5.2
197.23248	1.1
205.12292	2.6
209.11888	1.5
223.13390	9.5
241.14354	3.0
247.93286	1.2
276.74393	1.2
403.19650	18.5
404.19995	2.6
406.83746	1.0
463.16455	1.7
463.21957	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66465	0.1
55.01883	0.5
57.03462	0.5
58.00586	0.5
59.01380	8.3
60.01701	0.2
61.98819	0.2
69.03443	0.1
71.01381	6.1
71.05009	0.1
71.62888	0.1
72.99313	0.5
73.02951	1.2
73.36905	0.1
75.00873	0.1
81.03435	0.1
83.01385	0.8
83.05042	0.2
85.02956	2.1
87.00871	1.4
87.01359	0.1
89.02446	5.0
91.01898	0.2
91.04015	0.3
93.03476	0.1
95.01392	0.5
95.05036	0.2
97.02944	0.2
97.06600	0.4
97.51453	0.1
99.00912	0.4
101.02446	6.4
102.02789	0.1
103.00404	0.2
103.04004	0.2
109.02950	0.1
109.06612	0.1
111.04525	0.1
111.08156	0.8
112.98837	0.1
113.02454	3.3
114.02761	0.1
115.04000	0.2
117.58628	0.1
119.03527	1.3
121.02959	0.2
125.02451	0.3
130.99875	0.1
131.03514	0.2
133.02928	0.6
133.05074	0.3
134.03764	0.4
135.04530	0.5
137.02449	0.1
139.04004	0.2
143.03549	0.5
147.11816	0.1
149.00922	0.3
149.04549	0.2
157.05040	0.2
161.02516	0.1
161.04558	1.8
163.03999	0.1
163.11305	0.1
165.12846	8.2
166.13155	0.6
177.01897	0.5
178.02730	0.4
178.99887	0.3
179.03516	0.2
179.05638	0.5
183.13893	100.0
184.14227	6.5
209.11803	2.0
227.12880	8.9
228.13086	0.6
235.08220	1.3
236.08601	0.1
246.15092	0.1
253.09276	7.9
254.09558	0.6
255.02870	0.2
271.02563	0.5
286.41605	0.1
300.02713	0.9
301.03622	0.4
301.06879	0.1
301.16541	0.3
303.62064	0.1
362.73108	0.1
416.70889	0.1
445.20880	0.6
463.21817	58.2
464.22171	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
58.67772	0.4
59.01381	100.0
60.01725	1.6
61.98843	0.4
65.74110	0.4
69.62402	2.4
71.01383	5.2
73.02962	0.6
76.84900	0.4
83.05025	0.6
85.02979	1.3
89.02451	6.7
95.01492	0.4
97.06596	0.5
98.20576	0.9
99.00877	0.4
101.02448	3.6
113.02467	3.5
113.06103	0.6
119.03497	3.6
137.09787	0.7
139.07693	0.6
143.03529	1.0
149.94818	0.4
153.09232	1.0
159.02930	0.5
161.04550	2.9
162.41243	0.4
163.11305	0.6
165.09172	0.6
179.05605	4.8
187.11261	0.8
205.12415	1.6
205.53383	0.4
223.13405	6.6
226.43820	0.4
241.14548	1.4
273.04080	0.4
302.28268	0.4
403.19583	2.5
463.22018	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	463.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	15.7
58.46642	1.1
59.01381	13.7
61.98822	1.5
66.57573	1.2
69.41045	9.9
71.01376	7.8
73.02949	2.7
75.00869	11.9
75.27971	1.2
78.28368	1.2
85.02964	1.8
87.00884	1.4
89.02438	3.9
101.02430	3.5
113.02444	1.5
124.07696	3.4
132.04527	3.3
135.04514	1.2
136.01656	1.3
137.02576	1.2
137.04858	1.3
146.06128	11.0
148.07660	7.8
150.05652	2.4
160.04053	1.7
161.04802	18.4
162.05553	4.4
165.04274	2.2
165.05586	1.6
167.05894	7.2
167.10831	1.7
168.06667	1.6
169.08499	1.2
174.05606	5.2
175.02721	1.2
175.06297	1.4
176.07130	2.1
178.06308	1.1
179.05867	2.8
191.05849	2.0
192.03058	1.4
193.03821	8.9
204.06651	11.6
205.07353	4.8
207.05350	1.6
209.11800	11.6
213.42764	1.1
216.06564	1.1
217.07376	2.3
227.12793	3.3
228.13974	2.6
229.13403	1.8
237.06319	6.2
241.09837	1.8
243.11394	1.6
249.06390	1.9
253.09473	1.7
255.11450	1.6
257.13083	1.2
269.12909	2.3
271.14532	14.5
283.10855	50.3
284.11172	4.2
285.62860	1.3
297.12497	2.4
299.13959	4.7
301.11865	1.2
313.11774	1.7
329.15073	22.1
330.15536	1.8
343.12943	7.6
355.12918	3.7
373.14005	100.0
374.14328	17.0
385.14059	7.4
403.15054	9.2
403.19485	1.6
409.14020	3.2
427.14932	4.2
445.16010	2.0
463.17163	45.7
464.17163	7.5
469.73706	1.2
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
55.01860	0.6
57.03450	1.0
58.00594	0.3
59.01380	14.5
61.98832	0.9
65.00341	0.4
69.03465	0.6
71.00111	0.7
71.01381	8.8
72.99308	0.9
73.02961	2.1
76.13905	0.4
78.65061	0.3
80.02681	1.3
81.03464	1.1
82.66430	0.3
83.01397	1.9
83.05018	4.3
84.02177	1.1
85.02950	2.1
85.99989	0.4
87.00887	2.4
87.61400	0.3
89.02443	6.1
90.53132	0.3
93.03465	0.7
95.01381	0.4
95.05024	0.6
97.02950	0.3
97.06580	0.4
99.00890	1.2
99.04505	0.4
101.02440	6.8
101.06005	0.3
103.00362	0.5
107.01446	0.5
108.02184	0.4
109.02969	1.0
111.00903	0.3
112.98811	0.7
113.02460	3.2
119.03501	1.3
119.05038	0.7
121.02998	0.5
121.78812	0.3
125.02449	1.5
125.06081	0.5
126.10025	0.4
131.03494	1.4
133.02911	0.5
134.03778	0.5
135.00824	0.4
135.04539	2.3
135.08206	0.5
137.02397	0.6
139.07672	0.3
143.03503	0.6
145.02969	0.7
148.01605	0.7
149.00877	0.8
149.04539	1.3
151.00371	3.2
153.09145	0.4
159.03134	0.4
159.04536	0.4
160.04001	0.6
161.02432	0.8
161.04578	2.7
163.00386	1.1
163.04004	1.0
163.09969	0.5
163.11266	3.5
165.12863	2.0
171.48726	0.3
178.99818	1.8
179.03490	1.0
179.05574	0.7
179.07291	0.3
181.12276	0.7
187.04022	0.5
191.05432	0.3
191.10805	1.2
199.13364	1.4
201.05582	0.4
209.11819	100.0
210.10239	0.7
210.12148	7.8
226.02782	0.5
227.03455	1.2
227.12888	18.8
228.13164	1.2
235.08394	0.5
243.03008	3.2
244.03258	0.4
245.04478	0.5
253.09291	12.9
254.02052	0.7
254.09608	1.0
255.02963	6.9
271.02472	15.0
272.02872	1.5
283.02496	0.6
283.13409	0.4
293.09015	0.5
300.02740	24.7
301.03467	13.0
302.03821	1.1
327.16006	0.6
331.17697	1.1
419.29800	0.3
463.08746	19.3
463.21677	5.7
463.29068	1.1
464.09039	2.1
464.22321	0.4
485.01480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.0
61.98829	2.8
70.50645	1.7
70.50974	0.7
71.01389	2.1
72.76044	0.7
72.99303	0.8
73.02966	1.3
76.52771	0.6
78.95905	2.4
84.99325	6.9
87.00903	4.3
89.02485	1.0
103.00381	0.7
111.08173	0.9
112.98823	100.0
113.99139	1.9
121.02969	13.1
122.03288	0.7
134.03734	0.7
135.04529	3.0
139.28955	0.6
149.00887	0.6
151.00435	1.5
152.99603	1.2
156.29315	0.8
163.04048	3.2
165.12856	13.8
166.13138	0.8
176.43848	0.6
179.03508	0.9
183.13913	48.0
184.14291	3.1
187.02638	0.6
193.84853	0.7
197.15533	1.2
209.11911	4.0
225.14914	1.5
227.12910	62.2
228.13196	6.0
243.03023	1.6
253.09261	0.7
255.03015	2.7
269.13971	1.2
271.02469	8.1
286.24380	0.7
300.02756	9.6
301.03558	4.6
311.09491	0.7
313.75754	0.6
463.08835	8.4
463.21271	0.8
463.30957	1.9
464.09457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00207	1.0
57.03432	1.1
58.00597	8.7
59.01380	26.4
59.55100	0.9
61.98826	4.6
69.21083	0.9
69.31290	5.7
69.31720	3.5
71.01385	9.3
72.99322	1.8
73.02949	4.0
75.00860	1.7
77.59344	0.9
81.03475	1.0
82.23811	0.9
83.01408	1.5
83.05004	2.1
85.02945	2.3
87.00878	3.7
89.02459	6.5
94.31030	1.1
94.31625	1.1
98.19865	2.3
99.00899	1.0
99.04496	1.2
101.02438	6.9
101.24425	0.9
113.02445	3.9
117.03463	1.3
119.03493	2.0
119.05038	1.4
124.07701	2.4
132.04561	1.8
133.05219	0.9
135.04515	3.2
141.76476	1.0
144.04546	1.2
145.02945	1.8
146.06110	9.2
148.07730	4.6
149.00943	1.4
150.03136	1.1
150.05580	1.7
150.57986	0.9
161.04646	4.2
163.11299	1.3
165.04308	1.6
167.05859	3.1
168.06633	1.4
172.08771	1.3
174.05597	3.7
175.06371	1.6
176.07161	1.6
179.03500	1.6
179.05824	2.0
191.05788	1.5
198.06708	10.2
199.06856	1.3
204.06714	7.2
205.07320	2.4
207.05374	1.5
209.11824	42.2
210.12161	2.7
214.09929	1.2
218.08080	1.1
227.08263	1.1
227.12880	6.8
228.13573	1.0
237.06383	2.9
241.07304	68.0
241.14366	1.4
242.07922	21.7
243.08838	8.8
249.06493	1.8
253.09395	5.2
255.02943	1.6
255.11391	1.4
256.09637	2.4
257.10437	3.2
269.13004	1.1
271.02542	1.6
271.14551	8.4
283.10843	2.3
285.09946	9.2
297.12317	1.4
299.11157	2.1
299.14029	3.1
300.02780	1.4
301.03250	1.2
311.11322	1.9
314.71985	1.0
329.15033	12.3
330.15366	1.2
331.17554	2.0
337.11838	1.4
343.12927	5.6
353.12213	1.5
355.12943	1.7
359.13620	1.2
373.14020	59.2
374.14285	6.1
376.13959	2.8
377.14783	5.8
378.14999	1.7
385.14041	6.4
386.14444	1.1
401.14621	5.0
403.14914	5.4
403.19806	8.6
409.13885	2.4
419.15707	100.0
420.15918	14.5
427.15097	2.8
445.16306	1.8
456.29556	0.9
462.49493	1.1
463.08890	3.0
463.17117	24.1
463.21988	3.9
464.17612	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	461.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
57.11137	1.6
59.01381	10.4
60.94198	1.2
61.98823	5.8
62.61724	1.4
70.03927	1.2
71.01379	2.2
71.62289	1.7
75.00892	1.7
78.95910	34.4
81.03500	1.4
88.79633	1.1
97.06542	1.4
101.02461	2.3
109.06584	8.6
110.98540	24.4
113.02486	1.7
118.42465	1.3
152.99562	1.5
163.11264	5.2
167.01149	20.7
171.10231	1.4
179.03542	1.3
181.12309	1.7
185.02254	6.8
186.31534	1.2
195.13918	10.9
207.10258	25.4
208.10701	2.6
223.13425	8.8
225.11288	16.3
226.11690	1.4
253.09361	7.4
256.13129	1.9
270.01639	2.2
275.20267	6.2
275.22913	1.5
293.21246	100.0
294.21555	10.4
298.01053	1.4
299.02048	1.6
367.89359	1.3
461.08029	1.4
461.23520	46.4
462.23688	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.8
59.01381	2.9
61.98827	1.3
71.21938	0.7
72.36331	0.6
78.95904	7.3
83.05022	0.9
84.72047	0.7
87.00835	0.7
96.96033	0.9
97.06575	0.7
99.70105	0.7
109.06590	1.5
110.98537	5.7
113.09725	16.3
114.10059	0.7
135.11784	0.7
139.11270	1.6
146.35727	0.5
147.45831	0.6
148.77467	0.6
167.01155	2.4
167.10750	2.0
171.10339	1.1
177.12944	0.6
179.10776	1.6
185.02194	6.1
195.13899	2.4
207.10262	1.5
225.11244	1.0
241.01443	0.6
249.22227	1.8
270.01801	0.8
275.20166	2.0
285.04147	0.8
293.21234	100.0
294.21555	11.1
299.01859	0.7
459.92865	0.7
461.07339	0.8
461.23206	12.8
461.28915	0.9
462.23404	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05368	0.3
54.62799	0.3
59.01385	1.7
63.02404	0.5
65.00325	1.1
71.01373	0.5
83.01378	1.1
89.02464	0.4
93.03452	0.3
107.01381	2.9
108.02170	1.3
109.02946	1.1
121.02940	1.9
134.75662	0.3
135.00890	0.8
135.04520	0.6
136.03540	0.3
147.32260	0.3
148.01668	1.3
149.00888	0.4
151.00377	10.5
152.00925	0.5
159.04471	0.4
161.04582	0.3
163.00380	2.5
164.01154	0.8
169.01488	0.4
175.04025	0.4
178.99857	5.2
183.04585	0.4
187.03983	0.8
190.99907	0.3
192.00629	0.6
199.03983	0.9
203.03447	0.5
209.11809	0.4
211.03998	1.3
215.03455	0.9
216.04208	0.6
226.02751	2.0
227.03484	3.3
228.03992	0.5
229.05025	0.5
243.02962	12.1
244.03381	1.1
245.04465	0.8
254.02170	2.5
255.02975	26.1
256.03342	2.1
271.02469	60.6
272.02939	5.4
273.04016	1.4
283.02457	1.1
299.01974	1.0
300.02740	100.0
301.03448	46.3
302.03879	3.6
337.98642	0.3
343.04645	0.6
463.08801	71.7
464.09161	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11740	0.4
57.18812	0.5
65.00329	1.1
83.01397	1.0
107.01397	3.6
108.02161	1.9
109.02970	1.4
121.02960	2.2
135.00838	0.9
140.07733	0.5
147.99756	0.5
148.01665	2.0
150.99162	0.7
151.00372	11.6
152.00826	0.6
163.00378	3.0
164.01105	1.0
166.12737	0.5
169.01465	0.7
178.99857	6.4
183.04495	0.8
187.03947	0.6
187.41417	0.6
190.94142	0.7
199.03893	1.0
211.03975	1.6
215.03482	0.8
226.02686	1.5
227.03459	3.3
229.05034	0.8
243.02963	10.9
244.03497	0.8
245.04510	1.3
254.02281	2.9
255.02965	28.3
256.03314	2.8
271.02454	60.9
272.02841	7.8
273.04016	1.1
283.02576	1.1
299.02011	1.3
300.02740	100.0
301.03461	59.0
302.03809	4.6
384.97891	0.6
463.08804	65.8
464.09113	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07554	2.2
55.01861	2.1
57.01948	1.7
57.03452	2.9
58.00610	3.2
59.01382	100.0
61.98830	23.0
69.03458	2.1
71.01386	27.8
72.93896	1.7
72.99304	11.0
73.02948	7.0
75.00894	3.3
83.01410	5.0
83.05025	2.0
85.02973	13.6
87.00887	23.3
88.05711	2.4
89.02455	10.8
91.03999	3.1
95.01410	2.1
97.02959	3.5
97.06575	1.9
98.20613	7.6
99.00886	3.0
101.02458	14.9
103.00377	15.8
112.98829	20.3
113.02436	12.3
119.03498	2.5
119.05029	11.1
121.02957	6.4
125.02442	5.1
130.99849	6.4
133.02962	8.3
134.03769	2.7
134.47632	2.0
135.04524	15.2
137.02405	2.1
137.09666	2.7
143.03514	2.9
145.03024	2.5
146.99368	2.3
147.04539	5.6
149.00941	10.0
161.02477	3.9
161.04578	3.6
161.05995	2.7
163.04004	9.4
163.11307	2.7
166.97527	2.4
167.10742	5.3
171.10257	3.1
175.04007	5.7
178.02750	2.9
179.03508	7.0
182.15947	1.9
187.03976	3.9
187.07614	3.8
193.05058	1.9
195.13930	2.7
197.11832	3.6
201.05522	2.9
203.03490	8.7
206.01007	1.9
207.10275	8.0
211.13387	4.0
215.07077	4.3
217.08580	2.3
219.03030	3.6
219.36148	2.1
222.83290	2.5
225.11273	7.4
231.06648	2.9
232.07346	2.4
241.01385	2.4
270.01730	3.8
275.09247	2.4
293.03000	2.5
293.08575	2.2
299.02060	4.3
299.05475	2.9
317.27039	5.6
320.08917	3.5
327.21680	13.7
329.23312	46.2
330.23633	5.1
375.20181	4.7
417.15598	9.8
417.21332	16.4
461.06686	2.5
461.14590	15.1
461.20303	5.6
461.30981	9.5
462.15146	2.7
462.23492	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	461.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03375	0.4
59.01290	1.8
61.98764	0.7
69.45541	4.1
78.95804	8.8
78.96301	0.8
81.03401	0.5
89.02348	0.6
89.67189	0.5
93.03381	0.6
96.95960	0.5
101.02386	0.6
109.06476	1.8
110.98544	7.4
124.54893	0.5
152.99507	0.7
163.11218	1.1
167.01138	3.9
179.14268	0.8
181.12297	0.8
185.02206	7.2
195.12279	0.6
195.13902	8.2
196.14229	0.6
205.12228	0.9
205.15819	0.5
207.10271	6.4
208.10388	0.6
219.67996	0.5
223.11371	0.4
223.13403	6.8
224.13785	0.8
225.11305	4.1
228.13501	0.6
231.21130	0.5
235.28889	0.5
253.09296	1.7
256.13116	2.3
270.01596	0.5
275.20123	6.1
276.20340	0.8
293.21243	100.0
294.21570	10.4
294.24582	0.3
298.01242	0.5
395.24701	0.5
461.07498	0.6
461.23331	21.2
462.23608	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.8
59.01374	24.3
64.70794	4.0
65.13831	3.9
69.74463	16.1
71.01385	45.2
73.02945	13.6
75.00883	12.4
83.01411	8.3
85.02961	20.5
89.02455	12.4
98.19877	8.0
99.00870	7.3
101.02444	35.7
113.02476	18.1
128.56708	3.6
134.93951	4.2
138.05600	28.1
161.04517	21.8
269.10361	30.8
290.97232	3.3
300.11053	3.9
329.09396	5.4
371.07813	4.0
373.24512	4.2
401.14481	100.0
402.14902	10.0
440.52039	4.6
462.70239	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03465	1.5
59.01382	100.0
60.01723	1.5
61.98842	2.0
66.05913	0.6
69.03482	0.9
71.01382	18.5
71.62613	0.8
72.99310	2.6
73.02957	7.5
75.00881	0.8
81.06063	0.7
83.01390	1.7
85.02953	7.4
87.00882	7.5
87.60708	0.6
89.02448	22.3
95.01413	2.2
97.02933	1.0
97.06604	0.8
99.00883	16.0
101.02451	8.3
101.71928	0.7
103.00396	4.7
109.06590	0.8
111.00813	0.8
111.08172	0.8
112.98808	3.6
113.02460	11.2
119.03546	1.5
119.05035	2.7
121.03030	1.0
125.02473	1.7
130.99869	2.2
131.03474	4.3
133.02960	1.6
135.04515	4.0
137.02448	0.9
143.03677	0.7
145.03012	0.9
145.75465	0.7
146.03812	1.3
147.04585	0.7
149.00928	3.1
149.04555	21.6
153.12840	7.2
161.02414	1.3
161.04550	3.7
161.05885	0.6
162.04991	0.8
163.04036	2.8
166.97556	1.8
167.10793	6.3
171.10301	1.4
175.03940	1.4
179.03496	2.4
179.10843	2.6
183.13908	0.8
185.06056	0.8
189.05583	0.9
191.05585	5.7
191.07030	0.6
191.10805	1.3
191.13731	0.7
197.11838	14.1
197.13512	1.2
198.12331	1.0
203.03516	3.5
203.07103	0.9
205.05077	1.1
207.10342	1.9
209.11920	0.9
218.97346	0.7
221.11899	1.7
225.11325	1.8
229.14224	0.7
231.06670	1.1
232.07458	1.8
233.06682	3.9
241.01523	1.1
265.38608	1.0
270.01746	1.1
275.09253	1.3
277.03732	0.9
293.08908	1.9
309.20609	0.8
317.26984	1.4
327.21701	4.9
329.23172	5.0
401.25177	1.3
417.15521	4.9
419.26572	1.3
461.08075	1.0
461.14661	6.1
461.20166	1.7
461.31042	5.2
462.14893	1.0
462.27063	0.9
475.75195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	2.2
59.01379	87.2
60.01722	2.3
61.98824	5.5
66.79736	1.2
68.99826	3.0
69.03451	2.3
69.49104	11.5
71.01384	15.6
71.05022	1.3
72.99309	6.9
73.02933	3.4
83.01385	3.5
84.99304	3.8
85.02966	9.0
87.00869	24.3
87.04480	2.0
89.02448	9.5
93.03441	1.6
94.17549	1.4
98.20595	3.0
99.00887	3.5
101.02441	5.8
103.00380	25.4
108.02191	1.6
110.23729	1.5
112.98814	54.0
113.02451	4.7
117.03450	3.5
119.05025	100.0
120.05358	3.9
121.02924	8.6
125.02430	2.0
130.99850	19.0
133.02924	5.3
135.04514	9.8
143.03477	1.7
143.05011	3.4
145.02982	19.8
147.04518	12.5
149.00893	4.8
149.04524	1.8
152.01143	5.3
161.02444	2.1
161.04521	2.8
161.06023	1.9
163.03999	77.2
164.04366	4.0
166.97499	3.2
167.10733	4.9
168.00537	1.4
173.06012	1.8
174.03207	1.9
175.03986	11.8
179.03476	3.1
183.10236	6.5
187.04030	2.4
189.05554	1.9
203.03494	32.3
203.06985	1.4
204.03810	2.1
205.05139	2.2
207.10294	3.5
215.03464	6.9
225.11317	3.7
229.04932	1.4
231.06627	2.0
232.07253	2.6
241.01505	2.3
241.18890	1.8
242.02089	1.4
251.07664	1.6
259.02502	4.5
270.01730	1.9
275.09128	1.9
277.03561	27.7
299.01706	1.4
299.05560	3.5
315.10864	23.4
316.11139	2.1
317.26865	4.7
320.08771	1.6
327.21814	1.5
329.23239	9.3
401.25467	2.1
417.15421	7.7
461.07855	2.8
461.14322	9.0
461.31113	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	461.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40576	1.6
55.01893	2.0
57.03429	2.8
59.01093	3.8
59.01378	59.1
69.84750	3.6
69.85164	6.8
71.01390	47.8
72.99311	3.3
73.02953	13.9
83.01378	8.8
85.02947	22.5
86.79947	1.7
87.00882	4.0
89.02441	27.9
99.00863	7.3
101.02449	38.6
111.00880	5.8
112.53397	1.8
113.02448	18.8
119.03493	4.7
125.02426	4.4
131.03508	9.8
135.23216	1.9
138.05611	27.5
143.03505	3.6
149.04527	7.9
161.04552	16.1
165.54639	2.0
191.05617	2.6
208.70082	2.0
211.03990	5.4
220.71043	2.0
233.06642	3.6
269.10303	29.1
283.02515	2.2
293.08661	2.0
298.04834	2.4
300.10818	5.2
323.09818	2.4
329.09283	3.8
401.14508	100.0
402.14917	14.2
446.08972	2.0
461.10800	13.3
462.10632	2.8
462.16269	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	461.1455
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
57.03458	1.1
59.01379	29.8
60.01717	1.8
61.01776	1.2
61.98828	2.3
68.99815	3.8
69.03455	1.2
69.59636	7.5
71.01391	4.1
72.99319	5.9
73.02950	2.2
83.01393	1.2
84.99312	8.5
85.02976	1.4
87.00857	9.6
89.02474	1.4
93.03442	1.0
98.12155	1.1
99.00803	1.3
101.02426	1.6
103.00385	1.4
109.02888	1.4
111.00851	1.8
111.08194	1.2
112.98811	97.2
113.02481	1.9
113.99126	3.3
117.03454	5.3
119.05024	100.0
119.23971	1.1
120.05364	5.1
121.02965	1.6
123.00890	1.1
123.04565	1.4
127.00376	3.0
130.99841	2.0
133.02959	2.3
134.03732	1.6
135.04544	5.1
137.02475	1.3
138.03197	1.1
143.05011	2.7
145.02945	19.4
146.03374	0.9
147.04501	9.7
149.00862	2.5
149.06042	1.4
150.03218	1.1
161.02388	1.9
161.04665	1.2
161.06039	2.5
163.04004	95.4
164.04347	5.2
166.97498	1.3
169.81255	1.0
175.04012	9.2
177.05478	2.0
179.03499	2.3
183.10283	3.5
189.05502	2.0
197.11784	1.0
203.03499	35.0
204.03937	2.0
205.05080	2.2
207.10184	2.1
215.03491	6.8
225.11221	3.2
231.06601	1.2
241.01318	1.6
257.08270	1.6
259.02454	4.4
270.01611	1.1
277.03522	45.3
278.03986	3.5
299.05548	8.9
329.23337	3.8
346.95676	1.0
416.45322	1.1
417.15552	3.0
437.88535	1.1
461.14508	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	459.348
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
57.03440	0.7
59.01365	1.3
61.98837	0.6
64.39592	0.4
69.39867	2.8
69.40277	0.9
103.00383	0.4
121.02930	0.8
131.22174	0.4
133.48886	0.5
134.36722	0.4
161.04498	0.5
322.06534	0.4
327.08789	0.6
402.75562	0.5
452.59000	0.5
459.34781	100.0
460.35153	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	459.3844
Annotation	Protopanaxadiol
Peak:m/z	Relative Intensity
56.42444	0.2
59.01360	0.3
70.85321	0.3
70.85651	0.4
79.30706	0.2
90.41188	0.2
94.87707	0.2
137.15068	0.2
172.33374	0.2
248.64952	0.2
274.98312	0.2
283.17136	0.2
287.56863	0.2
459.38437	100.0
460.38791	18.0
477.39545	2.4
478.39859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
60.86749	0.2
61.98822	0.2
66.91411	0.2
69.34135	1.2
69.34556	0.7
83.59032	0.2
93.31052	0.2
107.05035	3.1
107.44253	0.2
149.91977	0.2
163.11287	9.9
164.11595	0.5
229.40482	0.2
272.09793	0.2
283.17010	2.6
295.17056	1.2
438.51489	0.2
459.29282	7.5
459.38428	100.0
460.29712	1.3
460.38779	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
57.03431	1.5
59.01377	41.6
61.98819	3.4
63.45318	0.9
65.19804	1.1
65.25097	1.0
70.96535	1.2
70.96854	1.4
71.01377	11.3
71.87541	1.0
72.99290	3.5
73.02948	7.3
74.02451	2.0
75.00853	5.3
83.01393	1.9
85.02950	4.3
87.00864	5.3
89.02444	10.2
91.01878	5.3
93.03456	2.5
97.02934	1.0
101.02445	7.2
103.00347	1.8
105.30106	1.0
107.05026	1.3
108.02153	2.0
108.74443	1.2
109.02934	2.9
109.06592	2.5
109.75307	1.0
110.00102	0.9
110.06032	1.3
111.00822	1.1
112.98807	2.5
113.02445	5.6
115.67968	0.9
119.03538	2.1
119.05016	4.2
121.02932	2.2
123.04515	2.1
125.02444	6.0
126.25266	1.0
128.03531	1.8
131.03419	1.3
134.03726	1.2
135.00883	10.4
135.04527	8.8
137.02367	1.4
143.03581	1.8
143.04648	1.1
148.01634	4.0
149.00890	2.8
149.02347	1.2
149.04520	2.5
149.06013	1.1
150.03242	1.8
150.05547	1.4
152.01146	1.9
153.01910	3.5
161.02356	1.6
161.04477	2.2
163.00378	1.9
163.04004	1.4
163.11255	1.8
165.01828	1.0
165.05548	1.8
167.03471	6.8
175.04010	2.1
179.03468	6.0
184.99316	1.1
187.03949	3.0
187.07741	1.1
194.02058	2.6
195.08188	1.2
200.04665	1.5
204.06587	1.3
207.10251	6.9
209.04527	2.3
211.03949	3.5
212.04633	1.5
213.01895	1.6
214.02609	3.6
215.03387	1.7
221.08061	1.5
224.06726	1.4
225.11331	9.0
227.03398	5.9
228.04204	2.0
238.02673	1.3
239.03360	4.2
240.04277	7.4
253.09192	1.7
255.02966	20.2
256.03714	5.4
266.02148	1.9
273.09241	1.4
283.02463	9.2
284.03241	89.9
285.03699	9.0
285.06851	1.4
293.08746	2.2
299.05588	100.0
300.05820	8.7
306.07526	1.3
329.09851	2.9
330.09546	1.1
405.34476	1.3
430.08859	1.3
461.10767	55.4
461.20300	7.3
462.11365	6.2
462.19754	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85967	0.3
55.01865	0.5
55.39682	0.3
57.03448	0.6
59.01380	100.0
60.01717	1.2
62.28037	0.3
63.12290	0.4
69.29073	3.4
71.01384	7.7
73.02952	1.6
80.20665	0.3
83.01404	0.7
85.02947	4.4
87.00894	1.4
87.04487	0.6
89.02435	1.9
95.01408	1.1
99.00881	0.8
101.02454	3.1
103.00405	0.7
103.38720	0.4
108.88174	0.3
113.02451	7.0
119.05028	0.4
125.02512	0.4
130.99864	0.5
133.02972	0.6
135.04515	0.7
136.01605	0.4
149.00847	0.3
159.03004	0.8
161.04538	3.4
179.03473	0.6
216.02965	0.3
219.47266	0.4
239.39705	0.4
319.05655	0.4
327.08981	0.4
327.21765	2.6
355.68649	0.4
399.23862	5.9
400.24066	0.8
417.25137	2.4
418.25256	0.7
459.22336	0.5
472.75720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01887	0.5
57.03466	0.3
58.00596	0.3
59.01381	100.0
60.01708	1.6
66.04040	0.3
69.03493	0.4
70.93053	0.3
70.93402	0.8
71.01387	6.3
72.99324	0.7
73.02940	2.1
83.01396	1.2
85.02955	2.6
87.00877	1.6
87.04549	0.5
89.02439	2.9
89.75785	0.2
95.01402	0.9
99.00902	0.6
101.02448	4.5
101.06107	0.8
103.00397	0.3
108.02190	0.3
112.98827	0.7
113.02442	2.9
119.03529	0.9
119.04990	0.6
124.01685	0.3
125.02410	0.6
135.04541	0.6
143.03563	0.9
150.92363	0.3
152.01091	0.4
161.02507	0.4
161.04593	1.8
165.05905	0.3
179.03514	0.6
179.05579	0.6
182.66154	0.3
219.03072	0.4
255.19667	0.7
297.20560	0.4
321.50711	0.3
327.21649	1.3
367.21942	0.3
381.22778	0.4
399.23907	2.7
417.24988	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03454	0.5
58.00589	0.5
59.01380	100.0
60.01721	1.3
65.80626	0.3
69.37986	2.5
71.01387	7.9
73.02946	2.7
76.79713	0.3
80.47654	0.3
83.01389	1.1
85.02955	2.9
87.00879	0.4
87.04543	0.7
87.84315	0.3
89.02443	3.6
89.34219	0.3
92.23750	0.3
95.01392	0.8
99.00914	0.7
101.02443	5.3
101.06092	1.6
112.98828	0.5
113.02456	4.2
119.03517	1.4
133.12367	0.3
140.80104	0.4
143.03520	0.7
159.03076	0.4
161.04550	2.4
161.29784	0.3
164.90994	0.3
179.05632	1.1
190.57927	0.3
191.89828	0.3
255.19691	0.7
297.20782	1.2
309.41620	0.4
399.23929	4.6
400.24207	0.7
417.24930	6.4
418.25439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2907
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
50.99752	0.2
51.76673	0.2
53.67377	0.2
60.82557	0.2
68.89520	0.2
69.94935	0.2
70.85403	0.3
70.85726	0.2
78.86349	0.2
79.18141	0.2
101.79790	0.2
107.05031	30.2
108.05347	1.3
111.01884	0.2
139.45074	0.2
147.08185	0.4
163.11287	100.0
164.11618	5.9
181.46602	0.2
196.33214	0.2
238.09917	0.3
262.01135	0.2
280.14676	0.6
283.17035	25.4
284.17392	2.8
295.17017	14.3
296.17377	1.8
361.89893	0.2
409.27039	0.2
436.07593	0.2
459.29041	73.3
460.29382	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	459.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54425	0.3
57.03450	1.0
58.00599	0.7
59.01379	55.4
60.01715	0.8
61.79201	0.3
61.98832	1.8
69.03448	2.2
71.01379	7.9
71.05035	0.9
72.64149	0.3
72.99314	1.4
73.02959	2.5
81.03438	0.5
83.01413	1.3
85.02947	2.8
85.06594	0.5
85.29255	0.3
85.79135	0.3
87.00875	5.5
87.01368	0.5
89.02443	6.6
92.65681	0.3
93.03459	0.4
95.01404	0.7
95.05038	0.9
97.06573	0.6
99.00909	0.6
101.02447	7.5
103.00390	4.1
106.65877	0.3
109.02966	0.6
109.06625	0.7
112.98802	1.6
113.02441	4.5
114.02833	0.3
119.03493	2.3
119.05057	0.8
119.08661	0.3
125.02425	0.5
125.09731	0.6
129.01996	0.3
130.99857	1.5
131.03535	0.5
133.02887	0.3
135.04532	1.0
139.26622	0.3
143.03545	0.6
149.00926	0.7
149.09744	0.4
149.73917	0.3
152.01180	0.5
153.09233	0.4
161.02510	0.4
161.04572	2.7
161.05969	0.5
161.13342	0.6
163.04021	0.5
167.10748	3.1
171.10243	0.9
179.03387	0.7
179.05597	0.9
179.10794	0.8
179.14401	3.3
183.13901	0.5
187.11296	0.4
195.13882	10.6
196.14282	0.7
205.12326	9.6
206.12698	0.9
209.11867	0.4
211.13435	2.0
223.13380	100.0
224.13705	7.4
229.14459	1.3
235.08266	0.8
253.09274	21.3
254.09644	1.2
255.06583	0.8
327.08737	1.2
327.21753	18.0
328.22299	1.8
399.23911	1.6
400.24002	0.4
459.11139	0.3
459.22348	4.7
459.28204	1.0
460.22510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01380	100.0
60.01727	1.4
61.01779	0.5
61.98825	0.7
63.17943	0.4
70.54959	0.8
71.01378	4.7
72.99305	0.8
73.02961	1.2
83.01396	0.4
85.02965	1.6
87.00872	3.9
89.02463	1.7
93.03458	0.8
95.05039	0.4
97.02986	0.5
98.19914	0.6
99.00892	0.6
101.02461	2.7
103.00383	0.8
108.02199	0.8
109.02969	0.8
111.08176	0.6
112.98837	1.7
113.02467	2.2
119.03586	0.5
119.05006	1.8
121.02975	0.4
123.04551	0.7
130.99936	0.5
133.03006	2.7
134.03760	0.6
135.04532	2.8
136.01712	0.4
137.02473	0.5
139.07637	2.7
145.02921	0.6
147.04559	0.5
149.00928	5.0
150.05618	0.5
152.01070	0.8
153.01903	0.5
154.01491	0.4
161.02428	1.2
161.04582	1.6
163.04091	1.3
163.11385	0.6
169.25945	0.4
174.01776	0.5
175.03998	0.5
177.01926	1.2
177.05592	0.5
178.02768	0.6
179.03476	2.0
195.10292	0.5
225.67542	0.4
239.10754	0.6
247.36710	0.5
271.02567	0.4
283.09879	0.7
297.07614	0.5
299.02008	0.4
300.02618	0.7
309.15060	0.5
327.08670	3.7
328.08615	1.2
339.14563	0.9
357.15677	1.5
399.16455	2.9
459.10953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25562	0.5
57.03461	0.7
59.01380	100.0
60.01714	1.7
61.98837	0.9
71.01385	5.8
71.61547	0.5
71.61962	0.6
72.99333	1.8
73.02969	1.4
78.95924	1.9
80.39146	0.5
83.01418	1.2
85.02963	1.7
87.00883	4.2
89.02464	2.3
93.03475	1.7
95.01404	0.5
96.96001	3.5
99.00888	0.9
101.02470	3.6
103.00410	1.3
108.02197	1.1
109.02987	1.3
111.00951	0.7
111.08189	0.7
112.98841	1.0
113.02447	1.7
119.05023	3.8
119.92537	0.4
121.02950	1.0
126.13433	0.5
130.99895	0.7
133.02997	1.3
134.03741	0.6
135.04524	3.8
137.02486	1.0
139.02837	0.5
139.07678	4.8
145.02959	1.0
149.00923	9.0
149.02063	0.9
152.01201	1.6
153.01942	1.1
159.02956	0.6
160.04033	4.7
161.02483	3.6
161.04591	3.0
161.09731	0.6
163.03979	2.6
179.03580	1.3
195.03064	0.7
209.11890	0.6
237.09285	1.1
239.10818	1.8
265.09012	1.0
270.76700	0.5
283.09833	1.1
297.13480	0.8
311.13065	0.8
323.07843	0.6
327.08679	8.2
328.09045	1.2
339.14655	1.2
357.15735	2.4
399.16553	3.6
415.12143	0.6
415.94946	0.7
459.19733	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	459.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30473	0.3
57.03424	0.4
59.01381	100.0
60.01705	1.7
69.34974	0.4
69.37874	0.8
69.38270	3.6
71.01374	4.6
71.62714	0.4
72.01725	0.5
72.99324	1.0
73.02950	1.7
74.02483	0.6
83.01400	0.8
85.02967	2.2
87.00867	3.1
89.02458	1.3
93.03439	0.7
95.01421	0.5
99.00900	0.5
101.02429	2.5
103.00407	0.5
108.02191	0.6
109.02946	1.0
111.08158	1.0
112.07750	0.5
112.98845	0.6
113.02461	1.4
115.04023	0.7
115.08815	0.8
115.92184	0.4
119.05036	2.3
124.70913	0.4
130.08752	0.6
130.99838	0.7
133.06628	0.9
134.03725	0.9
135.04539	1.4
139.07657	7.0
139.08702	0.6
149.00926	8.4
152.01161	0.9
153.01984	1.2
155.11922	0.6
157.09824	1.2
161.04515	2.7
163.04048	0.9
164.04842	0.5
165.09142	0.5
185.40088	0.4
187.11024	0.5
195.02998	1.6
195.10295	1.1
203.05611	0.8
209.11882	0.7
212.14023	0.5
237.09270	0.8
239.10854	1.4
253.09146	0.6
255.05157	1.7
267.06741	1.3
283.09860	0.5
323.13107	0.6
327.08774	3.7
328.09354	0.5
339.14523	0.9
357.15387	2.6
361.81070	0.5
385.21054	0.9
398.27505	0.5
399.16629	3.6
415.22018	2.3
418.49823	0.5
459.14905	1.5
459.24561	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65573	0.6
59.01381	15.3
63.41563	0.7
63.50801	0.7
69.46951	5.2
71.01385	8.9
72.99298	1.7
73.02939	1.8
83.01372	1.0
85.02955	2.0
87.00870	2.3
88.70421	0.7
89.02443	7.2
93.03449	7.2
99.00885	1.1
101.02446	6.8
103.00372	0.6
106.24785	0.6
109.02921	0.7
113.02448	2.4
117.03459	2.7
119.03471	1.6
119.05022	6.1
120.05389	1.0
121.02943	1.0
121.05025	3.4
123.04517	0.9
131.04977	1.3
132.02171	18.9
133.02959	2.3
134.03745	30.5
135.04201	1.2
136.61935	0.6
137.02432	1.6
143.05040	5.7
147.04497	1.4
149.00931	4.4
149.06113	3.7
160.01657	88.8
161.02013	5.0
161.04562	0.9
163.04092	3.2
164.04430	0.8
171.04489	0.7
175.04001	100.0
176.04318	6.5
178.02664	1.5
179.03447	0.8
191.07104	3.1
193.05052	42.1
194.05318	1.9
207.06676	1.1
211.07562	1.3
235.05981	6.8
237.09174	1.9
239.10776	1.7
265.08911	6.2
266.09012	0.9
283.09811	1.9
295.08197	1.9
299.92807	0.8
302.12183	0.7
309.07700	1.7
327.08704	26.2
328.09009	2.7
337.09363	1.0
459.15067	71.6
460.15485	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	459.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96120	1.1
55.01863	2.3
58.00582	2.3
59.01380	63.9
69.03448	2.7
69.39307	4.1
69.39725	6.9
71.00993	2.0
71.01383	36.9
72.99306	3.8
73.02959	2.9
77.26887	1.2
83.01398	4.9
85.02952	8.8
87.00883	8.0
89.02445	49.4
90.02787	1.6
93.03455	14.0
95.01357	2.8
97.02967	4.5
101.02445	31.3
101.39216	1.3
107.06888	1.2
108.02180	1.3
113.02445	18.1
117.03490	1.7
119.03519	19.0
119.05008	17.6
120.03966	1.2
121.41119	1.4
131.03481	1.4
131.05029	1.4
132.05760	2.0
133.06596	100.0
134.06949	6.1
135.04533	3.7
143.03473	4.8
143.05095	3.3
145.06598	4.4
147.04561	4.2
149.00932	1.6
157.06573	2.0
157.79655	1.3
159.08133	1.6
160.05290	3.1
161.04552	5.0
161.06071	4.5
163.04019	9.8
163.07756	1.9
164.04234	3.3
165.05643	1.6
169.06526	1.6
171.04587	2.2
171.08150	3.3
172.05327	8.7
175.03966	1.5
175.07626	9.3
179.05614	15.9
184.05336	3.3
187.07654	17.6
188.07983	3.1
189.09196	2.4
199.07642	12.1
205.08693	3.6
217.08679	41.0
218.09082	2.7
235.09755	4.9
237.09218	2.2
249.07675	3.5
261.07626	6.1
279.08710	7.3
283.09726	6.4
297.09750	4.3
327.08698	32.4
328.09067	3.3
350.04404	1.4
386.50159	1.5
397.15005	1.7
459.15115	52.2
460.15585	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	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21484	0.9
55.01874	1.7
56.52781	0.9
57.03453	1.6
58.00584	2.3
59.01384	44.0
60.01705	1.0
61.98832	8.5
69.03434	1.0
71.00989	1.8
71.01382	29.2
72.99301	3.1
73.02917	1.5
83.01373	5.5
85.02962	7.2
87.00877	12.0
88.79982	1.1
89.02447	31.4
93.03455	14.8
95.01392	2.5
97.02953	1.9
101.02449	27.7
103.00355	1.8
107.05009	1.8
109.02966	1.2
113.02440	8.9
116.92859	1.6
117.03452	2.1
119.03522	14.0
119.05015	25.0
121.06593	1.5
123.04575	1.1
130.99837	1.5
131.05014	2.1
132.05815	2.0
133.02957	1.8
133.06602	55.6
134.03702	2.6
134.06897	3.0
135.04549	7.6
143.03479	3.1
143.05011	6.1
145.02948	1.3
145.06583	4.3
147.04523	6.5
149.00908	12.6
149.04523	2.0
157.06561	3.0
160.05309	4.1
161.02449	2.5
161.04527	5.5
161.05925	2.1
163.04019	9.7
163.07713	2.1
165.01923	1.4
165.05600	2.0
169.06551	3.4
171.04510	2.6
171.08133	2.4
172.05263	4.6
173.06061	1.9
175.03941	1.6
175.07643	7.4
177.05554	1.2
177.09177	1.5
179.05618	9.9
184.05353	1.2
187.07608	9.3
195.04529	1.7
199.07640	8.3
207.06718	2.6
209.06004	1.2
211.07770	1.9
217.08688	20.7
223.07649	1.3
235.07726	1.3
235.09779	2.8
237.09219	10.0
239.10703	2.9
261.07593	2.7
265.08691	4.0
279.08777	7.1
283.09744	16.2
284.10132	2.4
297.09967	7.5
309.07861	1.8
327.08740	100.0
328.09000	11.8
441.13745	1.8
449.51596	1.3
459.15076	51.6
460.15451	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	459.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56400	0.7
53.71501	0.7
59.01143	0.7
59.01376	9.6
69.73732	3.0
69.74139	1.3
71.01381	1.7
72.99307	5.0
75.00890	0.8
83.03252	0.7
87.00871	12.7
89.02428	1.1
91.00487	0.8
92.17175	0.7
93.03456	17.1
94.54296	0.8
96.99320	5.0
98.19846	0.8
101.02448	1.4
103.00367	2.5
113.02441	1.2
117.03447	2.7
119.05026	17.0
121.02941	1.2
123.04506	2.3
130.04242	1.1
130.99896	1.2
131.05005	3.1
133.02919	2.9
135.04486	1.5
143.05026	16.4
145.02954	5.9
149.00919	36.1
159.04411	1.0
160.01657	1.1
161.02466	2.1
163.04025	11.6
171.04529	1.6
175.03972	2.5
177.05487	1.0
179.03362	0.7
192.99525	0.8
193.05080	0.9
203.03494	0.9
211.07562	5.5
221.09645	0.8
223.03891	1.1
223.07622	1.0
235.07593	3.1
237.09171	4.7
239.10672	1.3
264.07751	0.7
265.08725	17.2
266.09039	1.4
267.06384	1.0
283.09729	2.4
295.10352	1.1
309.07712	4.2
315.20993	0.9
327.08710	100.0
328.09073	14.4
459.14801	4.2
460.14850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.9
69.41043	1.5
70.26318	6.5
71.01377	21.2
71.17915	1.5
72.00889	2.2
72.99293	2.0
73.02944	54.4
75.00857	2.3
75.08582	1.5
76.23170	1.7
85.02955	4.4
87.00880	6.3
89.02448	24.9
93.03475	3.8
95.32908	1.7
99.00889	5.6
101.02452	12.5
109.02927	2.7
113.02455	9.5
116.92863	10.2
116.97209	1.7
117.01941	100.0
118.05081	3.9
119.03527	9.4
119.05038	6.9
120.05393	2.2
133.06601	13.9
134.03793	2.1
135.04521	3.2
142.45573	1.8
143.03546	3.5
149.00897	4.0
152.01186	3.4
161.04593	2.4
161.06070	1.9
163.04037	3.7
179.05637	10.4
187.07648	2.2
199.07545	2.7
217.08681	6.5
281.01675	1.8
283.09848	4.6
323.13309	2.9
327.08673	16.3
328.08908	2.3
341.10837	23.4
342.11154	2.8
349.00662	1.9
417.83279	1.9
459.15305	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	4.5
61.98835	3.5
69.31026	1.3
70.69640	1.3
71.01379	8.8
71.22831	2.6
72.99306	4.9
73.02955	3.1
83.01398	1.8
85.02960	4.3
87.00879	11.4
89.02454	3.7
101.02456	5.7
102.02853	1.5
103.00378	4.7
106.06628	1.4
108.02206	1.9
108.02958	1.6
109.02947	3.6
112.98854	7.1
113.02468	4.8
119.05042	6.1
120.05309	1.8
123.04489	1.4
126.40897	1.8
130.99878	2.1
132.04549	6.6
133.02997	7.7
134.03735	4.2
134.06125	10.3
135.04518	14.6
137.02516	2.0
149.00934	21.2
152.01161	2.5
153.01950	1.9
157.09569	1.4
159.04604	2.0
161.02469	4.8
163.03992	4.8
174.00311	1.5
174.01666	7.8
175.04018	1.5
177.01944	5.4
178.02666	3.0
179.03493	6.7
191.03494	4.3
195.10208	1.6
208.89738	1.4
211.13292	3.5
213.34975	1.5
219.02916	2.3
239.10666	3.4
251.11935	4.5
279.11438	6.2
281.35989	1.5
283.09625	3.0
295.11084	1.7
297.07715	1.8
299.02133	1.7
323.10370	5.8
327.08670	8.9
327.21683	8.7
355.12943	24.8
366.78625	1.6
383.12537	3.4
415.15021	6.4
459.22314	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.5
69.66335	1.9
69.66762	1.8
71.01371	2.8
72.99301	0.7
85.02950	0.9
87.00880	9.1
89.02452	2.2
93.03463	5.7
101.02456	1.0
103.00375	2.1
108.02174	1.2
109.02921	0.6
110.61511	0.5
112.98808	1.1
114.29672	0.5
117.03471	5.1
119.05031	32.2
120.05373	1.3
121.02982	1.1
125.02398	0.7
130.99817	1.1
131.04994	0.6
132.05794	1.6
133.02988	1.2
133.06593	1.2
142.50169	0.6
143.05035	2.9
145.02956	21.4
145.04105	1.2
145.06577	2.1
146.03273	0.9
149.00920	5.2
152.01144	1.9
161.02466	4.0
161.06125	3.1
163.04008	18.8
164.04346	0.8
177.05547	1.7
182.14973	0.6
205.05046	2.6
209.06116	1.0
211.07646	0.8
221.09676	0.6
222.06860	1.1
235.06044	1.5
237.09210	7.6
238.09889	1.2
239.10771	3.7
265.07138	2.1
265.09186	0.8
283.09753	14.4
284.10135	1.2
309.07785	0.6
327.08731	100.0
328.09079	13.1
332.95966	0.7
459.15302	12.6
460.15372	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75335	0.4
58.83195	0.4
59.01387	2.3
69.97384	2.5
71.01385	1.0
75.54240	0.5
87.00874	6.1
89.02436	0.9
90.83115	0.5
93.03484	2.9
95.03849	0.4
111.67934	0.5
113.02537	0.5
117.03461	0.8
119.05026	15.3
120.05357	0.7
121.02928	1.3
131.04996	0.9
133.02892	0.5
143.05011	1.7
145.02959	2.2
145.06587	1.9
149.00909	1.7
154.41078	0.5
161.02457	3.9
163.04015	7.6
165.09117	0.4
169.16728	0.5
181.06619	0.5
195.04523	1.7
209.06169	0.8
211.07690	0.6
222.06943	0.7
223.07657	0.8
237.09216	9.4
238.09615	1.0
239.10753	4.3
265.08780	0.8
267.09900	0.6
283.09766	18.2
284.10141	2.0
327.08725	100.0
328.09079	12.3
459.15048	2.5
460.15115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35549	0.7
59.01381	9.0
69.39709	6.5
71.01370	2.5
72.99319	1.8
73.02941	2.3
87.00873	13.0
89.02435	3.8
93.03466	5.1
101.02431	1.6
103.00362	3.4
108.02183	1.5
112.98835	1.3
113.02453	1.6
116.92844	3.8
117.01933	3.3
118.05128	1.2
119.05032	28.6
120.05335	1.3
121.02933	1.2
130.99825	0.8
135.04503	1.0
143.05000	3.4
145.06593	1.7
149.00906	7.7
152.01123	2.7
163.04013	12.3
164.04295	1.0
179.05615	0.8
195.04497	1.2
209.06026	1.5
223.07599	1.8
237.09276	9.1
238.09492	0.8
239.10732	3.8
265.08664	1.9
266.08490	0.9
283.09778	14.8
284.10025	1.2
327.08719	100.0
328.08987	12.8
341.10724	2.4
430.94620	0.8
459.11298	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	459.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33837	1.1
57.03463	1.2
59.01382	36.1
60.01717	1.3
61.98816	1.3
65.67390	1.0
69.27279	11.9
71.01376	12.2
72.99315	12.7
73.02943	2.6
75.00877	1.7
81.84589	1.1
83.01379	1.3
85.02951	3.8
87.00885	22.3
88.01234	1.6
89.02452	7.6
91.86159	1.2
93.03453	28.2
94.03779	2.1
96.96059	1.2
96.99288	2.8
99.00869	1.3
101.02460	6.9
103.00377	8.8
105.01898	1.8
109.02973	1.3
113.02442	2.3
117.03449	1.7
119.03562	2.4
119.05028	26.6
121.02947	16.6
121.05025	1.2
123.04528	2.9
130.99867	3.7
131.04997	3.3
132.02158	4.4
133.02969	15.7
134.03761	8.7
135.04535	9.8
137.02478	2.9
143.03906	1.4
143.05022	11.4
145.02977	4.1
145.06583	4.6
147.04526	2.5
149.00919	64.4
149.06142	1.5
150.01248	1.9
152.01144	3.0
160.01662	18.3
161.02444	46.1
161.04498	2.4
162.02774	2.1
163.03995	16.9
165.05623	3.1
175.04007	26.4
176.04617	1.7
179.03514	6.3
181.45850	1.2
188.35617	1.1
193.05081	10.3
193.06862	1.9
194.05269	1.1
205.08810	1.4
211.07625	4.4
223.07674	4.6
225.11380	1.2
234.02478	1.2
235.07796	2.6
237.09212	8.1
239.10744	12.7
265.08701	14.2
266.09109	1.4
281.11868	1.2
283.09711	11.0
297.07645	3.7
307.58768	1.2
309.07657	2.9
314.43741	1.4
327.08682	100.0
328.09024	11.9
371.08853	1.7
459.15070	49.7
459.22226	5.6
460.15323	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	457.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38630	0.2
58.61482	0.2
59.54351	0.2
62.02995	0.2
70.38457	0.5
70.38822	0.4
75.93432	0.2
77.64236	0.2
83.35968	0.2
92.33285	0.2
101.76386	0.2
103.52510	0.2
152.91331	0.2
186.22421	0.2
213.42065	0.2
240.78966	0.2
244.84941	0.2
265.85703	0.2
277.21985	0.3
309.55316	0.2
325.34641	0.2
393.31400	0.4
404.87747	0.2
407.29572	0.3
423.32504	0.4
439.35803	2.7
440.36230	0.4
457.36871	100.0
458.37207	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3686
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
51.77345	0.5
52.07964	0.4
69.85125	2.5
81.51247	0.5
98.19929	0.5
104.31949	0.5
108.10371	0.5
158.56781	0.6
186.41463	0.6
240.12291	0.5
300.11066	0.5
361.98459	0.5
379.30157	0.7
399.70200	0.6
407.29581	0.8
439.35645	2.9
457.36853	100.0
458.37231	18.4
475.37851	11.4
476.38242	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	457.3692
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
50.23667	0.7
57.03452	8.0
70.17294	0.5
71.61408	1.1
81.94358	0.6
83.09715	0.6
90.22664	0.7
113.72440	0.7
137.96355	0.6
339.04111	0.7
399.32578	3.4
457.36862	100.0
458.37234	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	457.3688
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
52.65137	0.5
57.03450	8.6
62.60904	0.5
70.03723	1.8
399.32617	1.9
414.31888	0.6
457.36859	100.0
458.37177	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	459.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.1
61.98822	0.7
65.96212	0.7
71.01388	3.8
71.20363	1.5
72.99314	3.4
73.02930	0.9
75.00855	1.1
79.53249	0.6
85.02954	1.0
85.87276	0.6
87.00871	16.8
89.02457	1.9
93.03465	5.0
97.48013	0.7
101.02450	2.0
103.00382	3.6
108.02194	1.1
109.02957	1.0
112.98792	1.4
113.02444	0.8
117.03461	2.2
119.03574	1.0
119.05025	26.9
120.05338	1.4
121.02945	4.6
130.99860	1.4
131.05025	1.3
132.05794	1.2
133.02962	13.3
135.04535	5.5
137.02425	0.7
143.04999	4.2
145.02957	7.1
145.06572	1.5
149.00920	15.5
150.03207	1.6
152.01181	0.7
161.02441	42.8
161.06042	1.1
162.02800	1.9
163.04008	13.5
165.05540	2.5
165.42160	0.8
174.26778	0.8
177.05615	0.9
179.03456	2.6
195.04504	1.8
197.09518	0.8
209.06158	1.2
211.07620	1.8
223.07561	1.5
224.08351	1.0
235.07761	1.2
237.09248	8.2
238.09586	1.1
239.10689	4.3
240.11041	0.9
265.08704	3.1
283.09753	16.4
284.10129	1.1
287.99179	0.6
294.08124	0.7
309.07803	1.0
327.08731	100.0
328.09097	12.4
371.09015	0.9
416.05072	1.0
434.06171	0.8
435.07556	1.3
435.17212	0.7
459.15045	34.6
460.15292	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	457.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.0
59.01094	1.0
59.01383	18.4
59.95171	0.5
61.98811	0.6
70.72985	0.6
70.73335	1.0
72.99293	1.5
85.66656	0.4
87.00876	14.3
89.02432	0.5
103.00375	8.6
109.02993	0.6
112.98824	5.6
119.05028	81.3
120.05334	3.1
130.99890	4.1
135.04529	0.7
149.00833	0.6
149.06006	0.7
161.06053	1.4
163.04010	100.0
164.04358	4.4
173.06017	0.7
191.07133	1.2
205.04965	0.7
215.36533	0.4
295.08255	1.4
325.09265	21.0
326.09576	1.7
380.73370	0.5
429.16431	0.5
457.09796	8.0
458.10031	0.8
460.89496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72912	0.4
55.01876	0.4
57.03472	0.6
58.00579	0.6
59.01381	100.0
60.01709	1.3
68.89513	0.4
70.59215	1.2
71.01380	7.5
73.02945	7.2
83.01374	2.3
85.02971	1.7
86.98071	0.4
89.02449	2.8
95.01390	0.5
97.02960	0.5
99.00906	0.5
101.02444	7.8
109.02969	0.4
112.98790	0.8
113.02454	4.6
119.03512	0.8
119.05015	2.3
131.03445	0.6
134.03769	0.5
135.04568	1.4
143.03540	1.0
145.02936	0.5
147.04501	0.6
149.04640	0.4
161.02477	0.6
161.04587	1.9
163.04037	2.7
175.15814	0.5
178.06389	0.7
179.03510	0.9
179.05759	0.5
190.61101	0.4
193.08762	1.6
220.10286	0.4
253.08780	1.0
342.02997	0.5
397.22504	1.2
415.23584	1.9
439.13882	0.8
457.14951	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84279	0.1
55.03705	0.2
59.95143	0.2
69.97713	0.4
69.98104	0.3
79.95731	0.1
86.03227	0.1
96.77146	0.1
98.20583	0.2
99.92576	5.2
100.92686	0.2
100.93359	3.6
101.93375	0.1
113.92649	0.4
115.92078	100.0
116.92081	5.9
116.92867	5.3
117.92587	0.2
124.95376	0.1
126.20569	0.1
132.92351	1.3
133.92395	0.2
142.94431	0.3
155.95180	0.2
172.95470	4.9
173.95526	0.4
283.26431	0.8
331.94647	0.1
383.18829	0.7
409.20502	0.8
439.21146	0.3
457.22620	4.3
457.36444	1.1
458.22565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
61.98832	0.9
65.04314	0.8
67.46840	0.8
70.63274	2.2
79.59250	0.8
79.92116	0.8
88.59126	0.8
132.63019	1.0
183.23393	0.7
234.52031	0.8
277.21695	2.1
321.04395	0.8
369.28122	2.4
396.24255	0.9
431.49869	0.9
457.36929	100.0
458.37317	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	457.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43225	0.5
59.01366	0.7
61.18087	0.5
70.65013	0.5
85.25203	0.4
93.16440	0.5
95.77088	0.4
121.70608	0.5
121.71435	0.4
128.44073	0.5
191.67467	0.5
245.79752	0.5
248.21895	0.4
267.05841	0.5
277.21820	0.8
336.45255	0.5
369.27777	1.0
407.14294	0.5
427.35715	14.8
428.36011	2.5
457.36880	100.0
458.37201	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	457.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80275	0.5
61.56831	0.6
69.56373	0.8
69.56715	4.0
76.18171	0.5
84.53069	0.5
98.93694	0.5
105.57786	0.5
162.41165	0.7
194.16580	0.6
395.33276	1.2
439.36554	0.8
457.36987	100.0
458.37326	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3686
Annotation	3alpha,20-Dihydroxy-3beta,25-epoxylupane
Peak:m/z	Relative Intensity
58.85758	0.4
64.25196	0.4
69.47361	1.8
69.47794	1.5
173.98663	0.4
205.86600	0.4
347.32764	0.4
457.36868	100.0
458.37244	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	457.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31787	0.2
64.08821	0.2
70.11145	0.8
104.90633	0.2
119.04933	0.2
146.92270	0.2
263.20145	0.5
304.22961	0.2
358.18930	0.2
457.36862	100.0
458.37228	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	457.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56781	0.6
57.03435	0.9
58.00592	1.5
59.01381	89.2
60.01722	0.8
61.98837	3.0
69.03458	0.7
69.44629	1.4
69.45036	3.4
71.01388	5.0
72.99308	5.2
73.02943	2.3
83.01395	1.3
84.99329	0.7
85.02965	1.7
87.00878	27.0
88.01240	1.1
88.98820	1.1
89.02445	2.6
93.03461	29.7
94.03790	0.7
96.96008	2.1
97.06596	0.8
97.78175	0.6
99.00863	1.3
101.02441	4.1
103.00379	13.8
103.98016	0.5
104.84330	0.6
109.02940	1.6
111.61945	0.5
112.98824	8.4
113.02449	3.6
116.92857	1.3
117.03477	1.7
117.92849	0.8
119.05026	83.9
120.05355	3.7
121.02938	1.1
124.14825	0.5
130.99876	6.2
131.05029	0.6
133.02954	2.2
133.06548	0.7
134.03749	8.8
135.04543	7.7
136.01660	1.8
137.02440	3.5
143.04999	1.3
145.02950	29.6
146.03528	0.9
147.04506	1.1
148.99698	1.0
149.00906	20.9
149.02184	1.0
149.06107	1.1
151.03975	0.6
159.04523	9.7
160.04832	1.7
161.02449	2.6
161.04561	1.7
161.06073	2.4
163.04010	100.0
164.01202	1.2
164.04379	5.8
173.06097	0.7
175.04027	1.5
177.05557	0.9
179.03497	4.6
181.08699	0.9
187.03995	3.7
187.07585	2.9
193.05093	1.5
194.05824	1.1
202.06337	1.4
205.05043	2.3
219.02997	0.8
222.06790	1.1
231.03000	1.4
231.10275	3.9
235.07707	3.1
237.09169	3.4
238.06413	1.0
239.07115	5.6
240.07289	0.6
251.07091	0.9
253.08731	21.8
254.09027	2.3
263.07108	2.4
263.12823	1.7
277.44113	0.5
279.06723	0.7
281.08237	8.1
282.08762	0.7
283.06104	1.0
294.42828	0.7
297.07529	1.0
307.06039	2.1
307.11798	1.9
325.06781	60.7
325.13068	2.8
326.07043	6.0
327.08643	1.1
335.11456	0.9
341.05923	0.6
397.22125	1.8
415.23541	3.1
454.84018	0.6
457.09647	4.6
457.17255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	57.4
68.99819	3.4
70.13726	7.7
70.14117	6.0
71.23897	2.4
72.99300	10.0
84.99315	4.7
87.00874	21.6
101.02438	3.0
103.00377	9.1
109.02947	12.3
112.98795	22.5
117.03461	3.8
119.05032	49.1
120.05337	2.9
127.00373	12.5
130.99901	9.2
133.02991	14.0
134.03728	5.1
135.04527	100.0
136.04860	5.5
137.02434	9.4
139.00377	9.1
145.02925	22.7
147.04506	10.7
149.00893	9.1
161.02429	33.0
163.04004	84.6
164.04417	3.4
175.03990	9.6
177.05521	4.4
179.03491	65.1
184.50821	4.0
191.03461	13.5
203.03476	33.5
215.03456	5.1
219.02965	49.3
220.03203	3.7
231.02956	9.0
259.02548	3.5
275.01938	7.3
277.03525	27.7
293.03040	42.2
295.04614	9.7
399.75043	3.5
415.23413	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	457.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24033	0.8
58.00577	1.1
59.01382	49.8
68.99804	1.8
70.12321	3.8
70.12734	2.2
71.01388	2.2
72.99312	4.3
73.02931	1.3
87.00375	1.7
87.00871	19.1
89.02464	1.1
93.03458	1.6
101.02447	1.5
103.00371	11.5
105.01920	1.5
109.02971	3.1
112.98815	6.7
113.02438	1.3
117.03420	2.0
119.05032	54.4
120.05352	3.7
127.00345	4.5
130.08713	1.1
130.99879	9.3
133.02950	3.8
134.03723	2.8
135.04533	43.2
136.04861	1.6
137.02440	5.1
139.00365	4.7
145.02968	4.8
147.04544	5.2
149.00922	26.1
149.06097	1.2
159.04488	2.1
161.02451	15.8
161.06070	0.9
162.02811	1.0
163.04008	100.0
164.04303	4.4
173.02415	1.0
175.04013	2.8
177.05617	1.4
179.02037	1.9
179.03494	27.3
185.41792	1.1
187.03972	1.4
191.03481	6.2
203.03493	11.2
204.03836	1.0
215.03523	1.6
219.02972	23.7
220.03487	1.1
231.02905	3.3
275.01901	3.9
277.03516	10.0
278.40866	1.2
293.03040	19.7
294.03302	1.6
295.04575	16.6
296.04794	1.8
300.88086	0.9
311.03989	2.9
351.66293	1.0
413.23834	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	455.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20098	0.4
70.18279	1.7
71.01381	2.1
83.05022	1.9
109.06585	1.5
110.98004	0.4
120.25095	0.4
123.11742	0.4
137.09705	0.8
146.41597	0.4
156.95007	0.4
165.12827	1.8
175.14931	0.7
193.16008	0.6
237.14984	0.5
290.98688	0.5
411.37341	0.6
419.33270	1.4
437.34210	23.7
438.34576	5.0
455.35294	100.0
456.35617	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47094	0.3
59.01377	1.9
61.98815	0.3
70.06574	1.0
71.45789	0.2
72.25385	0.3
77.87273	0.3
89.86803	0.4
98.20001	0.4
192.95140	0.3
228.63626	0.3
455.35306	100.0
456.35648	19.5
456.42279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59342	0.6
77.63933	0.6
100.48354	0.6
123.29494	0.6
130.48807	0.7
163.63202	0.6
164.78688	0.7
168.89088	0.6
173.53241	0.6
234.76547	0.6
235.34724	0.6
305.31491	0.7
356.69547	0.6
455.35294	100.0
456.35657	18.1
456.42151	0.9
473.36288	1.7
474.37021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87720	1.4
58.00578	3.2
59.01380	50.1
68.99735	1.2
71.01385	39.6
72.01785	1.3
72.99326	2.1
85.02957	4.5
87.00887	2.3
89.02448	58.0
95.01400	2.4
97.47845	1.4
101.02450	19.6
101.49470	1.2
113.02443	15.4
114.05601	21.5
115.00368	13.9
119.03500	20.9
119.04965	2.8
131.03481	4.0
134.28490	1.4
143.03529	2.7
148.84515	1.3
158.04570	4.4
161.04536	7.1
163.03996	4.7
179.05621	24.1
180.08099	1.3
333.39688	1.7
341.10889	100.0
342.11215	6.4
345.59464	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43258	0.2
59.01345	0.3
59.11425	0.2
63.00797	0.2
70.24327	0.9
98.19903	0.3
119.54487	0.2
152.60544	0.2
170.92960	0.3
209.09201	0.2
289.61719	0.2
310.13141	0.3
455.35303	100.0
456.35666	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57827	0.1
53.16703	0.1
53.52023	0.1
65.14558	0.1
70.39970	0.3
71.01369	0.2
98.20540	0.2
261.46509	0.2
268.00067	0.2
350.25244	0.2
437.34088	0.2
455.35291	100.0
456.35645	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	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57830	0.5
57.90664	0.5
62.22538	0.4
70.03523	2.1
85.02944	1.5
141.09229	0.9
142.09581	0.9
188.64116	0.5
232.46001	0.5
405.28308	0.6
437.34067	2.7
455.35312	100.0
456.35645	19.8
456.42123	0.7
473.36362	11.4
474.36850	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	455.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
58.00619	0.4
59.01379	100.0
60.01720	1.7
60.02049	0.3
61.98840	0.5
69.54230	2.3
71.01383	4.2
72.99335	0.7
73.02965	1.3
83.01371	0.9
85.02966	1.4
87.00869	1.7
89.02450	2.9
95.01400	0.4
96.48743	0.4
96.96003	2.2
99.00899	0.5
101.02422	2.2
103.00378	1.1
108.02174	0.4
109.02978	0.5
112.01665	0.8
112.98840	1.2
113.02444	2.0
114.07076	0.3
119.03548	1.0
119.05032	0.8
121.02968	0.5
133.02985	1.4
133.85466	0.4
134.03751	1.9
135.04530	4.1
136.04858	0.5
136.81180	0.3
137.02449	0.9
143.03520	0.5
145.02988	0.4
149.00911	1.5
149.02444	0.6
150.03232	1.5
160.01682	0.4
160.04057	0.6
161.02483	1.8
161.04582	1.0
161.06015	0.4
163.04016	1.3
165.05573	1.2
175.03996	0.7
177.01933	0.7
178.02734	1.2
179.02126	0.6
179.03462	2.3
191.66887	0.3
193.05055	0.7
195.06775	0.4
201.09146	0.4
205.05223	0.4
208.03842	0.5
213.70636	0.4
219.02953	0.9
221.46288	0.3
233.15419	0.3
269.08313	0.5
293.03101	0.6
293.10446	0.8
298.98495	0.4
344.38144	0.4
371.27026	0.3
395.21262	0.5
412.48499	0.4
413.22083	0.4
455.22842	1.0
455.30457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
61.77545	0.2
61.98813	0.6
71.10782	0.6
78.95908	7.4
78.96368	0.4
84.47512	0.2
89.47548	0.3
96.96992	0.8
152.99594	14.2
153.12877	0.4
165.12901	0.3
171.00629	1.1
177.09258	0.4
181.12372	2.1
190.36949	0.3
199.13385	1.1
202.61713	0.3
227.03293	3.5
227.20169	100.0
228.20512	8.3
228.22844	0.3
245.04323	1.2
320.02377	0.4
363.25293	0.6
409.09879	0.3
410.64594	0.3
420.07629	0.3
424.12070	0.4
455.24167	21.8
455.35117	0.8
456.24548	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	455.3531
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
50.14176	0.4
64.09258	0.4
73.55901	0.4
96.96055	0.4
168.99559	0.4
222.77904	0.5
299.19666	0.4
402.17896	0.4
455.35284	100.0
456.35626	18.3
456.42261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3533
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
54.70788	0.3
59.01372	0.3
61.98832	0.3
69.91058	0.5
69.91476	0.9
98.20596	0.3
108.54820	0.3
119.71388	0.3
170.41235	0.3
174.86894	0.3
193.87218	0.3
355.92920	0.3
377.79413	0.3
390.90463	0.3
421.31097	0.4
426.46353	0.3
437.29758	0.4
437.34344	3.4
438.34378	0.6
455.35318	100.0
456.35660	19.9
456.42242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.3
61.98832	4.5
69.56880	2.4
71.01389	2.9
72.99315	0.9
73.02946	0.9
75.00884	0.9
78.91911	0.8
78.95909	0.5
81.15136	0.4
85.02954	0.8
87.00877	1.7
89.02441	2.7
96.28948	0.4
96.96003	1.5
96.96937	0.5
101.02441	2.2
103.00384	0.6
109.02956	0.9
112.98840	0.4
113.02455	1.3
116.71672	0.4
116.92857	0.5
117.87350	0.4
119.03491	0.7
119.05077	0.4
125.99078	0.4
131.03508	0.4
131.63109	0.4
133.06665	0.4
133.73833	0.5
134.06151	0.5
135.04488	1.4
137.02510	0.6
138.05573	3.5
143.03915	0.5
143.05025	4.4
146.03752	1.5
147.04520	0.9
149.00899	1.6
149.06062	0.6
158.03735	1.5
159.04517	3.2
161.02461	0.5
161.04568	2.9
161.06078	5.8
163.04082	1.0
164.04652	0.4
164.07172	1.2
171.04524	3.8
172.05315	0.9
174.03221	1.2
175.03986	0.4
175.07640	1.2
179.03487	0.6
187.04065	1.2
188.04788	2.3
189.05565	100.0
190.05905	6.3
201.05550	1.7
202.37747	0.4
203.07234	2.0
204.04286	0.5
205.01834	0.4
205.04947	0.5
231.06509	1.1
233.04538	22.5
234.04890	1.6
245.04497	2.7
247.09796	0.8
261.46091	0.4
277.08264	0.5
291.08408	0.5
293.06662	20.3
294.06992	1.8
335.12192	0.7
341.10852	0.8
359.34561	0.5
395.09787	0.8
395.15295	0.9
455.11923	8.1
455.17270	0.7
456.12173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.6
59.01382	63.2
60.01691	1.0
61.98822	1.3
69.03452	1.1
71.01382	16.1
72.99304	3.3
73.02946	13.0
73.24120	0.9
75.00882	1.6
78.95902	45.0
83.01391	4.6
85.02948	3.9
87.00874	2.8
89.02440	8.1
96.96965	3.9
97.06613	1.3
98.20631	2.9
99.00901	1.1
101.02439	20.4
103.00377	1.2
109.02967	2.1
111.08155	1.5
112.98794	2.5
113.02457	5.3
119.03500	2.2
119.05039	1.9
125.02470	1.2
131.03448	0.9
133.02957	3.1
134.03734	3.0
135.04530	14.3
137.02425	2.6
143.03467	1.4
149.00929	2.0
152.99585	52.1
158.03726	0.9
160.04059	0.9
160.21906	0.9
161.02391	1.9
161.04539	3.1
161.05939	0.9
163.04041	1.1
165.12830	24.6
166.13141	2.2
171.00653	7.3
175.50937	1.1
177.01947	1.5
178.02762	2.1
179.03517	7.5
179.05060	1.3
183.13890	93.2
184.14217	6.5
193.32748	1.0
209.11794	2.7
213.23898	1.0
219.02997	3.4
227.03297	4.8
227.12872	39.6
228.13165	3.0
233.15469	1.9
245.04317	2.6
251.16530	1.8
269.08185	1.2
275.09290	1.2
291.08640	1.1
293.37161	0.9
335.73190	1.1
363.12183	2.8
381.08551	1.2
381.13257	1.3
395.20657	1.5
413.21780	2.6
437.15729	2.9
455.16910	100.0
455.22867	13.1
455.30197	6.3
456.17203	13.9
456.22922	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49833	0.4
55.01884	1.3
57.03460	1.1
58.00598	1.5
59.01381	100.0
60.01717	0.7
61.98840	0.4
68.02545	0.4
69.03462	1.2
70.84085	0.8
70.84461	0.8
71.01384	37.8
71.51064	0.4
72.01727	0.7
72.54425	0.4
72.99312	2.6
73.02949	25.2
75.00881	0.9
81.03489	0.5
83.01387	8.1
83.05018	0.5
85.02953	8.2
85.03441	0.5
87.00877	3.4
87.04464	0.3
89.02450	20.9
95.01399	2.1
97.02959	0.9
97.06567	0.3
99.00901	1.2
99.04537	1.4
101.02445	30.6
102.02813	0.6
103.00422	0.7
109.02998	0.8
110.91890	0.4
111.00928	0.4
112.98834	1.7
113.02450	12.7
119.03505	8.0
119.05038	1.1
121.03011	0.4
125.02457	1.7
128.03577	0.4
131.03494	1.7
133.02950	0.8
134.03731	2.2
135.04524	7.7
137.02454	0.6
143.03540	2.0
147.04549	0.7
148.05289	0.4
149.00897	1.1
149.04559	1.7
152.97443	0.4
155.03528	0.8
158.02242	0.3
161.02495	0.8
161.04565	5.0
163.04033	1.1
177.01863	0.6
178.02704	1.3
179.03497	6.1
179.05574	2.0
180.03822	0.5
189.16457	5.3
190.17004	0.4
193.05011	0.6
194.08253	1.2
203.05540	0.5
219.03107	0.6
233.15462	1.9
235.17027	1.0
238.67279	0.4
251.16510	0.6
254.63072	0.4
269.08188	1.0
275.09402	0.5
293.03061	0.4
293.10559	0.6
307.15790	0.4
321.32654	0.4
395.20813	5.0
395.25604	0.6
413.21844	8.5
414.22299	1.4
455.22891	44.9
455.29721	4.1
456.23254	7.2
456.29498	0.6
484.05884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	33.5
61.98811	2.9
68.99812	4.4
69.35707	13.1
69.36141	9.3
71.01385	8.8
72.99316	14.3
73.02947	5.4
81.54208	2.5
83.01394	3.0
84.99323	16.1
85.02965	5.3
87.00873	13.5
89.02446	7.0
91.90926	2.4
96.96074	2.8
101.02441	6.6
103.00361	3.0
112.98822	100.0
113.02456	4.5
117.03477	4.7
124.47185	2.4
126.99569	8.0
127.00381	2.6
127.11211	2.6
132.02179	2.4
133.06592	6.7
134.03748	81.0
135.04544	12.7
137.02473	2.6
147.04568	19.1
149.00967	2.8
149.06110	21.0
151.03981	2.9
159.04602	2.9
160.01634	14.1
161.02412	8.7
161.06050	4.9
162.03198	11.7
163.04045	2.8
171.10204	3.5
175.04015	21.6
177.05484	4.0
178.02727	7.6
179.03458	4.7
185.49748	2.5
189.05594	9.4
190.02707	7.1
191.07111	2.9
193.05087	52.8
202.02711	3.2
205.05005	5.6
218.02216	3.3
227.12848	3.1
230.02043	4.3
233.04543	39.6
245.04422	3.0
251.16498	5.4
289.03461	5.4
307.04596	45.8
308.04996	4.1
309.31143	2.9
370.81540	2.5
398.92618	2.6
411.27631	5.3
454.28931	2.7
455.22714	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	454.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55848	0.4
59.01379	15.1
60.01718	0.7
61.01810	0.6
61.98829	100.0
68.47995	0.4
69.36414	3.8
71.01395	2.3
72.99306	0.6
73.02937	0.8
85.02949	0.8
87.00885	2.1
89.02470	0.7
96.96017	2.8
99.00880	0.5
101.02441	1.5
103.00364	0.6
109.02963	0.8
113.02474	0.5
119.05013	3.1
124.01714	0.5
129.21696	0.5
135.04507	2.7
137.02484	0.9
145.02994	1.4
149.00954	1.5
161.02481	1.1
161.04514	0.6
163.03979	3.6
174.03110	0.5
175.04042	0.6
179.03568	0.6
187.07663	0.7
205.08765	0.6
209.31418	0.4
211.41060	0.4
229.08827	0.5
230.04543	0.7
232.06264	0.5
248.09329	1.2
254.09923	0.5
275.09247	0.6
279.12506	0.8
282.71194	0.5
291.07681	0.6
305.15997	0.5
316.33273	0.5
323.11230	0.6
325.09631	0.5
365.65750	0.5
394.24118	1.0
454.13348	4.6
455.13568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40029	0.5
59.01382	2.1
59.74044	0.6
61.98832	100.0
66.98669	0.6
71.61562	0.7
77.33527	0.5
113.10070	0.6
163.04068	0.7
170.04099	0.6
171.10222	1.4
179.03534	0.7
196.29591	0.5
209.11760	0.6
211.13435	0.6
272.57083	0.6
291.64545	0.6
293.03046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	23.1
58.00603	1.5
59.01383	40.2
61.98826	3.8
69.45712	12.3
71.01396	7.7
72.99329	8.1
73.02977	1.5
78.95919	1.6
79.95717	1.7
84.99318	1.5
85.02951	1.8
87.00879	29.5
89.02458	6.8
95.05019	2.6
96.96014	5.5
96.96979	2.7
99.04517	39.3
101.02436	20.5
103.00367	11.3
107.05049	1.5
109.02957	7.3
112.98811	14.9
113.02469	3.9
116.92846	1.8
117.03530	1.5
119.05032	4.4
121.02979	3.4
122.03732	8.9
123.04517	1.9
125.02428	2.6
127.00361	4.0
128.03534	1.7
130.99902	7.2
131.92519	1.5
133.02957	3.8
134.03764	3.3
135.04547	30.6
136.04962	1.7
137.02458	9.1
137.06097	4.6
139.00401	3.2
139.07675	3.7
145.02956	2.9
146.03748	5.1
147.04535	2.3
149.00917	46.5
149.06076	2.8
150.01279	1.6
159.04530	2.5
160.01663	4.9
161.02550	18.1
161.04558	100.0
162.04912	3.5
163.04022	11.1
174.03223	4.7
175.04002	12.3
175.07603	8.8
176.04329	6.6
177.05586	3.1
179.03485	20.6
187.04001	2.1
187.07658	3.9
187.11240	6.4
188.04741	3.0
189.05515	2.3
191.03456	5.4
201.09247	1.6
203.07129	17.0
205.12344	4.1
219.02988	20.4
221.04523	2.4
221.78880	1.5
229.08731	4.3
231.02982	5.0
231.10173	4.8
235.09837	3.5
247.09717	5.7
249.11221	2.7
261.11362	3.6
269.08084	1.4
275.26276	1.4
277.08548	1.9
279.12369	4.3
291.08841	2.8
292.11819	4.6
293.02399	19.9
293.05338	13.0
293.09848	17.3
323.11307	3.0
367.15417	1.6
381.08115	2.0
455.09753	2.9
455.15485	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	455.0973
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
54.09479	0.3
59.01380	3.4
61.16130	0.3
61.98812	0.6
65.40519	0.3
69.47392	2.4
71.01376	1.1
72.99313	0.7
77.36644	0.3
78.95903	80.6
80.39429	0.3
82.03594	0.3
85.02931	0.4
87.00867	2.7
89.02483	0.5
96.96961	100.0
99.04545	0.4
99.92616	0.4
101.02439	1.0
103.00374	1.0
107.07536	0.4
109.02913	0.7
112.98798	0.5
113.02451	0.5
115.92052	0.4
116.92862	5.9
117.92842	0.4
119.05009	0.7
124.01631	0.4
130.99892	0.6
135.04532	2.0
137.02452	0.8
138.98022	3.6
141.96555	0.4
144.08197	0.4
145.03056	0.6
145.09840	1.6
146.03732	0.8
149.00909	2.5
149.02202	0.4
149.06122	0.6
159.04460	0.4
161.02441	1.1
161.04532	1.3
161.06007	0.7
163.03964	1.0
167.03499	0.3
174.03203	1.1
175.04007	1.1
175.07629	1.0
179.03525	1.5
179.04994	0.3
184.08794	0.7
189.05548	1.1
198.06721	1.2
199.00140	12.3
203.07133	2.8
211.07631	1.2
212.08287	5.0
213.01694	10.8
213.08670	0.5
219.02962	0.6
225.08807	0.5
229.08704	0.8
233.04576	0.6
236.10614	0.3
241.07286	4.6
242.07582	0.5
243.09355	0.4
247.09842	1.7
249.07668	0.5
251.05638	0.6
255.08853	5.5
256.09134	0.7
261.11246	1.0
279.12180	0.8
291.08636	0.8
293.02994	0.8
305.10638	0.3
323.11374	0.8
357.11993	0.5
437.08545	0.7
452.78345	0.3
453.28177	0.4
455.09686	23.8
455.16672	0.8
456.09891	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	454.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57408	0.7
55.58263	0.7
57.03427	1.0
59.01381	36.8
61.98831	13.2
69.40088	3.9
69.40518	3.1
71.01385	8.1
72.53957	0.8
72.99297	2.1
73.02943	4.2
78.95923	1.2
81.03465	1.2
83.01371	2.1
85.02957	3.5
87.00869	4.9
89.02454	3.5
90.78912	0.8
92.63132	0.7
96.96021	6.4
97.06581	1.0
98.02450	1.4
98.19924	2.1
99.00877	1.1
101.02439	7.0
101.95907	0.8
103.00386	2.0
107.82518	0.8
109.02931	2.1
109.05318	2.3
110.06119	1.8
112.98824	2.7
113.02457	5.0
118.06652	4.2
119.05055	1.9
121.02966	1.5
121.05343	8.9
122.06095	5.3
123.06894	3.6
130.29071	0.8
130.99826	1.4
131.03485	1.3
133.02968	1.8
134.03725	3.4
134.06137	0.8
135.01022	0.8
135.04538	19.7
136.04840	1.5
137.02446	1.5
139.06404	2.2
140.11311	0.7
145.02959	2.6
146.06117	20.1
147.06584	1.5
149.00908	7.6
149.02399	2.2
149.04648	0.9
149.05963	1.3
150.03282	1.4
152.01175	1.0
153.01837	1.0
156.06624	2.4
159.04503	1.1
161.02435	3.2
161.04607	1.7
163.04045	2.6
164.04778	1.2
164.06999	0.8
177.05446	1.4
179.03516	4.3
179.05774	2.3
187.07684	0.9
190.07497	1.2
191.03494	0.9
193.05014	0.8
201.09178	3.3
209.15152	0.8
212.10765	2.3
213.10503	1.4
214.09514	0.9
219.02988	2.1
226.07469	2.0
226.12332	1.9
227.08237	16.5
228.08536	1.3
233.11818	3.3
240.08908	1.1
241.09814	21.9
242.10513	6.7
253.09720	1.2
255.11354	16.2
256.11935	2.4
263.14999	3.3
267.11411	2.3
268.12155	3.8
269.08176	1.1
269.12927	7.9
270.13583	3.4
285.12445	1.3
286.13174	3.0
288.11102	1.6
292.12015	2.6
293.03122	1.5
297.10129	0.8
300.11179	5.3
302.12579	4.0
314.12756	3.1
318.12097	1.5
323.11371	2.0
380.19632	3.5
391.26761	1.3
392.19888	8.6
393.19418	1.1
395.19235	9.4
410.20844	3.2
436.18680	6.8
454.19861	100.0
455.14844	1.4
455.20108	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16330	0.4
57.47900	0.4
58.25937	0.4
59.01379	15.1
60.01717	0.9
61.01810	1.0
61.98832	100.0
63.41539	0.4
69.82536	1.7
71.01391	1.9
72.99328	0.9
73.02959	0.8
75.62971	0.4
85.02984	0.9
87.00882	1.3
89.02463	0.7
90.97310	0.4
96.96006	2.3
98.20535	0.7
101.02457	1.7
103.00407	0.7
109.02956	0.5
113.02471	0.9
116.90498	0.4
119.03539	0.7
119.05019	2.0
125.02435	0.4
135.04555	2.7
137.02499	0.9
142.14885	0.4
145.02977	1.5
149.00934	1.5
159.04536	0.5
161.02444	1.2
163.04010	3.8
175.07706	0.5
177.49222	0.4
179.03503	0.9
179.05792	0.6
187.07660	0.8
190.18784	0.4
203.07112	0.7
205.08672	0.6
211.07764	0.5
212.18564	0.4
219.02992	0.7
229.08711	0.8
230.04552	0.7
237.05110	0.5
248.09366	1.1
273.06256	0.5
275.09381	0.6
279.12408	0.7
291.07388	1.0
292.12091	0.7
305.16028	0.5
323.11368	0.7
393.24124	0.6
394.24271	1.8
454.13339	3.6
454.70767	0.5
455.09622	0.8
455.15390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.213
Annotation	Hypoloside A
Peak:m/z	Relative Intensity
55.01863	1.9
57.03440	1.0
58.00594	1.5
59.01381	100.0
60.01710	0.9
61.98818	2.4
64.56112	0.9
65.49348	0.8
69.03465	1.3
71.01389	45.4
71.62027	1.2
72.99300	3.8
73.02950	48.6
74.03286	1.2
75.00846	0.9
82.50903	0.8
83.01386	15.7
85.02956	7.7
87.00880	3.1
89.02447	12.0
95.01373	2.1
97.02939	1.5
99.00851	2.5
101.02444	46.7
102.02802	1.6
103.00353	1.2
112.98801	2.5
113.02449	14.9
119.03479	3.9
119.05000	1.4
125.02399	2.2
131.03488	3.1
135.04520	3.8
137.29512	1.0
141.12364	0.8
143.03465	4.5
147.04485	0.8
149.00974	1.0
149.04553	3.0
153.60056	0.9
155.03496	1.2
158.02275	1.0
161.02393	1.5
161.04529	8.5
163.03984	1.3
177.01825	1.1
178.02718	1.1
179.03404	2.2
183.13947	1.5
185.13289	1.9
203.05594	1.2
221.06615	1.3
222.01694	1.1
227.41560	0.9
231.13893	43.0
232.14211	4.1
249.15077	1.5
259.24200	0.9
393.19177	1.9
411.20035	2.4
453.21301	19.0
453.28494	4.3
454.21527	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	453.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34526	0.7
59.01406	0.9
71.60825	1.2
72.74207	0.7
74.02551	0.7
78.95902	44.1
88.86664	0.7
96.96036	0.9
96.96996	2.1
142.93748	0.7
152.99586	57.8
154.00005	1.1
171.00647	18.6
202.67285	0.8
225.18588	63.4
226.18938	5.1
227.03284	3.6
245.04298	100.0
246.04608	3.0
435.34406	0.8
453.22415	34.2
454.22672	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	453.3374
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
71.61359	0.7
72.78931	0.5
90.75623	0.5
95.59338	0.5
99.04498	1.2
132.39667	0.5
154.79642	0.6
163.52988	0.6
174.84908	0.6
231.17587	1.2
271.20557	1.3
334.51276	0.5
393.31717	0.8
409.34680	7.7
410.35269	1.5
453.33737	100.0
454.34033	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	454.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97043	0.5
57.03449	0.7
57.19187	0.6
59.01094	1.0
59.01381	19.3
61.98834	4.9
69.49595	3.8
69.59727	0.5
71.01380	3.0
72.99303	1.2
73.02946	1.7
75.00888	0.5
79.95735	0.5
83.01410	0.7
85.02946	1.4
87.00869	2.4
89.02457	1.6
90.43305	0.5
96.96008	5.6
98.02428	0.5
98.20687	0.9
98.95600	0.8
99.00884	0.6
101.02468	3.0
103.00369	1.5
103.25507	0.5
108.02135	0.7
108.04629	0.5
109.02935	1.5
109.05364	2.3
110.06102	1.7
112.98798	1.8
113.02431	1.4
118.06621	4.6
119.03522	0.6
119.05022	1.2
121.05334	8.4
122.06139	4.0
123.06927	3.2
124.07696	0.9
133.02919	1.2
134.03777	1.2
135.04536	5.7
137.02480	0.8
139.00328	0.5
139.06409	1.6
142.39771	0.4
145.02994	0.7
146.06114	21.3
147.04552	0.8
147.06487	0.8
148.04050	0.9
149.00908	5.4
149.02420	0.9
150.01277	1.0
150.03168	1.0
152.01183	0.7
159.04527	0.7
160.03987	1.0
161.02438	2.7
161.04535	1.2
162.05556	1.3
163.04059	1.7
164.04739	0.7
167.03476	0.8
168.06654	0.9
172.05229	0.6
175.03938	0.5
177.05511	0.6
179.03477	2.4
179.05766	1.0
183.04526	0.7
184.04881	0.6
193.03688	0.8
193.05196	0.7
198.09154	0.5
201.09283	1.6
203.03404	0.7
207.02979	0.7
208.03745	1.2
212.10835	3.3
213.10551	1.2
214.09444	1.6
219.03012	1.0
226.07518	2.0
226.12308	1.8
227.08264	17.6
227.11739	1.1
228.08606	2.0
233.11827	4.1
239.08214	0.6
240.08955	1.0
241.09816	23.2
242.10487	7.0
243.11003	0.7
253.09758	1.2
254.10518	1.1
255.11397	14.9
256.11923	1.6
261.11288	0.5
267.11319	1.7
268.12195	2.7
269.12906	8.1
270.13611	4.0
285.12399	1.8
286.13269	3.0
288.11191	2.3
290.11169	1.6
293.02856	0.8
295.10965	0.6
299.10117	0.5
300.11172	5.8
301.11496	0.9
302.12680	4.6
304.08002	0.6
313.11917	0.6
314.12668	1.8
318.12186	2.2
322.13702	0.8
323.11322	0.7
329.11450	1.8
380.19809	3.3
392.19769	9.0
393.20047	1.5
410.20966	3.4
413.21982	0.7
418.17386	0.6
424.18634	1.6
436.18735	8.3
437.19104	1.1
454.19824	100.0
455.14874	0.7
455.20084	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01384	13.8
59.47654	0.6
60.01722	1.7
61.01814	1.2
61.98833	100.0
71.01383	3.1
71.36739	0.6
72.99310	0.8
73.02956	1.1
75.00872	0.6
83.01414	1.0
85.02962	1.0
87.00887	1.3
89.02464	2.8
93.03474	0.8
98.19878	1.1
101.02459	2.5
103.00399	0.7
112.93017	0.6
113.02473	0.9
115.26067	0.7
119.03510	1.1
119.05051	1.5
121.81189	0.6
135.04541	2.6
137.02518	1.0
138.05612	0.7
143.33403	0.6
147.38316	0.6
149.00945	1.7
159.04572	0.8
160.01779	0.9
161.02469	0.9
161.04622	1.1
165.01955	2.4
175.04066	0.7
177.01955	1.0
179.03577	1.9
180.04303	2.4
195.05026	0.7
195.06679	2.3
195.28395	0.7
210.05251	0.7
225.07813	1.5
283.62531	0.6
452.18848	1.1
452.25632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57663	0.4
59.01377	0.4
61.30228	0.3
61.97310	0.3
62.96428	0.4
70.81432	0.3
70.81751	0.8
74.38966	0.3
78.95904	100.0
95.29997	0.4
96.96963	8.6
109.02859	0.4
132.20000	0.3
140.01233	0.5
150.97963	0.4
152.99586	16.8
153.99918	0.5
157.66937	0.3
171.00642	20.2
172.01001	0.3
255.23271	2.9
263.98447	0.3
294.02600	0.4
367.31750	0.5
378.24173	1.8
396.51077	0.3
452.27811	54.2
453.27966	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	452.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98827	0.5
77.14810	0.3
78.95905	36.4
96.96939	1.5
118.97955	0.4
122.00133	0.6
125.19117	0.3
127.49121	0.3
130.99823	0.4
134.98492	0.4
140.01198	5.7
143.06706	0.4
149.71498	0.4
152.99602	4.4
166.02858	0.4
171.00665	3.9
196.03790	9.6
214.04893	2.1
229.14381	0.4
255.23291	100.0
256.23639	10.2
276.45325	0.4
329.51093	0.4
452.27847	32.8
452.34177	1.6
453.27917	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	453.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61951	0.4
55.36898	0.5
59.01376	1.4
63.56465	0.5
68.55920	0.5
69.48392	3.6
70.19398	0.5
71.01385	1.1
72.99281	0.5
73.66157	0.6
75.00881	0.6
78.95906	100.0
80.26513	0.5
89.02460	0.5
96.96010	0.9
96.96970	3.3
98.19901	1.0
101.02455	0.7
110.89941	3.9
110.98534	96.7
111.98857	0.9
112.98823	1.3
115.00367	0.6
129.01945	0.7
145.01396	2.2
149.01003	0.5
166.70963	0.5
255.06624	0.5
341.11118	0.7
361.76974	0.5
415.14508	1.4
421.07986	0.8
453.10611	5.9
454.11490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61951	0.4
55.36898	0.5
59.01376	1.4
63.56465	0.5
68.55920	0.5
69.48392	3.6
70.19398	0.5
71.01385	1.1
72.99281	0.5
73.66157	0.6
75.00881	0.6
78.95906	100.0
80.26513	0.5
89.02460	0.5
96.96010	0.9
96.96970	3.3
98.19901	1.0
101.02455	0.7
110.89941	3.9
110.98534	96.7
111.98857	0.9
112.98823	1.3
115.00367	0.6
129.01945	0.7
145.01396	2.2
149.01003	0.5
166.70963	0.5
255.06624	0.5
341.11118	0.7
361.76974	0.5
415.14508	1.4
421.07986	0.8
453.10611	5.9
454.11490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82757	0.5
57.03438	2.4
59.01378	11.9
60.01706	0.7
61.98828	14.6
64.18544	0.5
66.87103	0.4
71.01385	6.1
71.61041	0.7
72.01729	0.6
72.99304	1.5
73.02953	1.9
73.11214	0.5
74.02446	0.6
75.00867	0.9
77.83279	0.5
78.95929	0.8
81.03426	0.6
81.93346	0.5
83.01406	0.8
85.02951	1.6
87.00888	2.7
87.04543	0.6
89.02435	6.3
96.04569	0.5
96.96972	2.0
99.00891	0.5
99.04529	1.7
101.01171	0.5
101.02444	5.0
103.00376	0.8
109.02917	1.0
111.00936	0.7
113.02432	2.9
116.05065	4.2
116.92875	0.6
119.03517	2.6
119.05035	2.0
120.01256	1.9
120.99672	0.7
121.02953	0.9
123.04488	0.7
125.02441	1.6
126.02766	0.7
131.03520	0.8
135.04497	1.8
138.05620	1.3
143.03511	1.5
149.00879	2.5
149.04565	1.4
159.03230	0.8
160.04042	100.0
161.04448	7.4
163.03990	0.6
165.01956	1.8
175.03972	0.6
177.01897	1.1
179.03496	1.3
179.05602	2.0
180.04367	1.0
180.05913	0.7
195.06607	1.2
202.05078	1.2
203.03513	0.6
203.07344	0.7
204.02954	5.2
204.07564	0.7
225.07672	1.3
229.03596	0.6
249.07651	0.6
322.44897	0.6
366.08206	3.4
405.15292	0.6
408.09354	13.9
409.09561	2.0
453.15115	0.6
453.20227	0.7
474.87024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.1
60.08620	1.0
61.98832	100.0
69.59784	4.6
71.01387	1.8
72.99323	0.9
76.21690	0.8
85.02953	1.3
87.00856	1.3
87.71921	0.7
89.02451	1.1
89.98106	0.8
91.94508	0.8
96.86993	0.9
103.00376	0.7
111.90632	0.9
112.98799	2.1
113.02422	1.5
135.04524	3.7
144.75134	0.9
161.02475	1.2
165.12856	6.8
174.13388	0.9
179.03499	2.2
183.12366	1.7
183.13899	21.4
184.14226	2.1
227.12869	46.6
228.13251	2.7
267.96088	1.2
339.06631	0.8
389.18195	6.0
453.28378	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96407	0.5
59.01382	13.0
60.01709	1.5
61.01806	1.4
61.98831	100.0
63.99258	1.0
65.78070	0.6
69.46441	4.7
71.01384	2.6
72.01724	0.9
72.99340	1.1
73.02935	1.3
83.00668	0.5
85.02987	0.8
87.00890	1.8
89.02467	2.7
90.02811	0.6
94.45319	0.6
98.20669	1.2
99.00893	0.7
101.02457	2.5
102.02832	0.7
104.71709	0.5
109.02970	0.8
109.89371	0.5
112.98824	0.6
113.02450	1.5
113.51376	0.5
119.03533	0.8
119.05052	0.8
120.01178	0.7
121.02984	0.6
123.04558	0.8
125.02407	0.7
135.04564	2.0
146.08208	1.0
149.00914	1.3
157.08705	0.7
161.04622	0.9
165.01941	2.0
175.04070	1.0
177.02017	0.9
179.03503	2.5
179.05676	0.6
180.04332	1.0
189.71413	0.6
191.00101	0.6
195.06653	2.7
198.84969	0.6
209.08253	0.7
217.08720	0.6
225.07726	1.1
230.92482	0.6
247.84819	0.6
249.77605	0.6
290.10443	0.6
297.92398	0.6
399.43048	0.6
405.15796	1.2
452.18372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03448	1.4
59.01380	100.0
60.01717	0.8
61.61240	0.5
61.98834	3.6
69.96880	2.5
71.01382	13.9
71.01759	0.8
72.99318	0.8
73.02951	5.1
75.00888	0.7
81.96461	0.5
83.01395	2.7
85.02950	7.5
87.00885	1.1
89.02445	2.7
95.01414	1.0
97.02959	0.7
99.00883	2.7
101.02448	14.1
101.39145	0.5
111.00906	0.5
112.98862	1.2
113.02441	7.4
119.03535	0.7
119.05031	0.9
122.21964	0.6
127.56357	0.4
129.01974	0.6
135.04530	1.2
143.03487	0.6
159.02980	2.6
161.02499	0.8
161.04553	14.0
161.05841	0.9
162.04910	0.6
163.04007	0.5
173.19762	0.6
175.03963	0.7
179.03467	0.8
229.18036	2.3
391.23355	43.7
392.23691	5.3
451.25235	1.4
457.50073	0.5
478.69736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81962	0.3
64.73878	0.4
68.30611	0.3
70.03426	1.7
78.95911	13.9
85.06673	0.3
88.47653	0.4
104.97475	0.5
110.98537	11.0
137.00145	0.5
167.01149	11.3
167.43506	0.4
185.02197	2.9
270.25702	0.4
283.26428	100.0
284.26782	10.7
338.92245	0.4
352.96167	0.3
451.28317	19.9
452.28693	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	451.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12465	1.4
77.35016	0.3
78.95905	15.3
83.05019	0.6
83.07618	0.3
90.20694	0.3
104.97479	0.7
110.98537	10.5
121.06684	0.3
135.49509	0.3
139.07607	0.3
167.01143	12.3
168.01445	0.4
179.60323	0.3
185.02213	2.8
189.88637	0.3
195.03479	0.3
268.34863	0.3
283.26413	100.0
284.26749	11.5
284.29938	0.3
285.09485	0.3
451.28299	21.5
452.28644	3.2
469.01749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	0.4
59.01379	1.6
61.98832	0.8
71.01379	0.4
72.99325	0.1
75.00871	0.5
78.72879	0.1
80.05073	0.3
81.03457	9.1
82.03780	0.2
82.06621	0.1
83.05024	26.5
84.04569	0.2
84.05358	0.5
85.02979	0.2
87.00874	0.4
89.02431	0.3
96.96015	0.2
100.07668	0.2
101.02460	0.3
103.00376	0.2
107.06157	1.0
108.04551	1.0
112.98790	0.4
113.02459	0.2
115.00317	0.1
125.07207	3.5
126.05601	0.4
126.07536	0.2
133.02989	0.2
135.04539	0.4
143.08255	1.8
149.00896	0.2
163.03957	0.2
179.03450	0.2
189.01875	0.2
203.23474	0.1
204.35422	0.1
207.15034	3.2
208.13365	0.2
208.15271	0.3
219.02959	0.1
224.17683	4.4
225.16081	12.7
225.17931	0.5
226.16382	0.8
242.18755	1.6
243.18964	0.1
247.05513	0.2
248.00343	0.2
250.15671	0.3
256.27246	0.1
268.16611	0.4
289.20331	0.1
290.22479	0.3
296.36426	0.1
306.21982	0.2
307.23895	0.3
309.21841	0.5
319.21109	0.2
324.22815	0.2
324.26523	2.0
325.26651	0.2
333.22958	4.2
334.23508	0.6
339.27542	0.4
351.23926	0.9
367.27112	1.2
385.28256	0.3
406.30817	0.2
433.31796	5.7
434.32175	1.1
451.32877	100.0
452.33185	16.9
452.39740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
70.92598	0.6
78.95901	6.3
87.07689	0.3
90.18467	0.3
96.95994	0.5
110.98533	3.9
152.99507	0.3
167.01138	2.8
185.02177	2.9
254.17854	0.3
269.02240	0.3
281.24844	100.0
282.25211	10.4
293.83698	0.3
362.12567	0.4
449.26727	7.1
450.27060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20068	0.4
53.68010	0.4
59.01375	0.6
69.82264	0.4
71.61329	0.4
78.95911	4.5
89.17455	0.4
95.10554	0.4
96.96007	1.5
101.45303	0.4
110.98553	2.8
116.19282	0.3
118.00893	0.4
129.10504	0.4
135.17421	0.4
167.01173	1.3
178.65886	0.4
185.02203	2.8
185.68285	0.4
279.23361	0.5
281.24863	100.0
282.25220	10.7
294.14316	0.5
449.26559	6.2
450.26978	1.1
462.43146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33141	0.8
59.01380	29.0
60.01706	3.6
61.01802	3.0
61.44182	0.9
61.98830	100.0
69.34538	7.5
71.01390	6.3
72.99285	1.0
73.02946	1.6
75.04081	0.7
83.01389	1.2
85.02954	2.5
86.64530	0.8
87.00880	1.5
89.02452	4.9
89.75223	0.7
93.03472	1.1
99.00858	1.7
101.02439	3.5
109.02967	1.7
110.35097	0.8
112.98814	3.1
113.02457	2.6
119.03493	1.8
119.05000	2.2
120.01293	0.9
121.02947	2.3
122.06171	0.9
123.04590	0.8
125.02491	1.7
125.03445	0.9
127.05201	1.0
128.03525	1.5
133.02908	0.8
134.03748	1.1
135.04515	2.7
137.02481	1.1
146.08229	0.8
149.00917	1.7
151.00348	0.9
151.03983	1.0
161.04530	1.5
163.03987	2.0
165.01851	0.9
166.05072	0.8
179.05618	1.1
211.07539	1.0
218.79324	0.9
288.05881	1.1
327.08661	2.4
387.16650	1.6
390.22061	1.5
409.16489	1.3
450.11322	1.1
450.18948	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66428	0.8
59.01089	1.5
59.01376	19.3
60.01702	2.9
61.01797	1.6
61.98829	100.0
69.57477	3.6
69.57891	2.0
71.01362	2.1
73.02943	1.3
84.12165	0.8
89.02445	1.1
97.18327	0.9
101.02433	1.8
107.64872	0.7
108.07829	0.8
111.32209	0.8
113.02459	1.4
115.36264	0.8
125.02523	1.3
136.32559	0.8
141.74326	0.9
151.00412	0.9
154.07936	0.8
161.02730	0.8
161.04619	1.1
228.16783	0.7
260.06439	1.0
261.85471	0.8
269.04260	1.5
270.36548	0.8
288.06006	1.1
390.22070	1.4
450.11398	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	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73393	0.2
57.92351	0.2
59.01378	7.9
60.01714	0.6
60.60151	0.2
61.98830	100.0
71.01395	1.4
71.08540	0.3
71.08875	0.4
73.02947	0.4
75.00875	0.2
79.93423	0.3
85.02970	0.5
87.00903	0.6
89.02461	0.9
89.80893	0.3
96.88456	0.2
96.96029	0.3
101.02434	0.9
112.98802	0.5
113.02485	0.4
119.03520	0.4
119.05029	0.5
120.01381	0.2
126.02845	0.3
128.28825	0.3
135.04572	0.6
137.02411	0.3
145.02989	0.3
145.15282	0.3
149.00957	0.6
161.04576	0.5
163.04030	0.3
179.03502	0.6
184.03435	0.3
211.07697	0.4
277.03696	0.3
288.62802	0.3
319.21341	1.2
390.21896	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.9
59.01091	1.0
59.01376	13.4
61.74182	0.8
61.98821	2.8
69.95132	3.3
71.01374	3.1
72.99293	1.2
73.02950	1.3
87.00858	5.1
89.02460	1.5
96.96012	0.8
98.19983	1.1
99.00812	0.9
101.02463	1.5
103.00380	3.6
103.03970	0.9
107.51645	0.7
109.02914	1.1
112.98802	5.5
113.02455	1.2
115.27505	0.7
119.03496	0.8
119.05021	0.9
127.00390	1.1
130.99835	3.2
133.02953	1.6
134.03748	1.3
135.04521	23.8
137.02441	1.6
145.02917	2.0
147.04491	0.7
149.00938	2.2
158.03720	14.8
159.04503	7.3
161.02386	3.0
163.03987	1.8
171.04530	2.1
173.02399	0.9
179.03491	16.6
191.03441	1.3
201.05528	3.0
202.02711	100.0
203.03191	10.3
213.05522	2.8
219.02921	4.9
220.03535	0.8
231.02982	1.2
243.06558	0.8
245.04454	0.8
265.07156	0.8
275.05600	1.8
289.09195	4.5
293.02942	3.6
319.12073	1.0
365.08566	1.4
407.09811	52.9
408.10092	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	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43784	0.5
57.03455	1.1
59.01381	100.0
60.01730	0.7
61.98832	7.2
69.50414	4.3
71.01384	13.7
72.99326	0.8
73.02948	2.1
81.03310	0.5
83.01395	1.5
85.02956	4.6
87.00874	1.7
89.02445	11.7
91.25204	0.6
94.18511	0.5
95.01357	0.7
95.86552	0.5
98.19865	1.1
99.00893	1.1
101.02439	10.0
103.00363	0.7
110.46992	0.5
112.98854	0.9
113.02471	6.0
119.03504	4.6
135.04510	1.1
139.94382	0.5
143.03482	1.1
149.00919	1.0
149.04617	0.6
158.45222	0.6
159.03029	1.2
161.04539	6.4
179.05537	3.1
213.09500	0.7
226.95097	0.6
269.13937	0.8
287.05542	0.8
317.19626	0.7
321.44174	0.6
389.21829	24.9
390.22238	3.5
449.10370	1.2
449.23862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03441	1.1
58.00588	0.4
59.01382	16.8
61.98817	1.4
69.03461	0.5
69.77499	0.4
71.01385	10.2
72.99310	1.7
73.02937	2.2
83.01392	1.8
85.02965	4.4
87.00871	3.2
89.02449	5.1
93.03465	0.7
94.06606	0.7
95.01352	1.2
95.03773	0.5
96.00925	1.2
96.08189	1.8
96.96053	0.4
97.01701	4.5
97.02937	2.0
97.45251	0.4
98.02458	0.6
98.06110	1.4
99.00881	0.9
100.04035	0.4
101.02446	9.2
103.00359	1.2
106.06612	0.6
108.04542	1.0
109.01689	0.5
109.02953	0.4
109.05332	1.7
110.06113	0.8
112.98815	3.5
113.02456	5.5
118.06648	2.2
118.96568	0.4
119.03494	1.1
119.05023	1.1
120.08124	0.4
121.02997	0.5
122.06127	0.9
123.04514	0.5
124.07683	29.9
125.02465	5.7
125.07994	1.2
126.05596	0.8
130.99829	0.6
131.03500	0.5
133.02962	1.2
134.03717	1.4
134.06122	3.3
135.04512	4.1
136.01596	0.4
136.04016	0.5
136.07681	0.6
137.02480	1.0
137.04823	1.0
138.05624	2.0
138.09186	0.5
138.46942	0.5
143.03511	1.2
145.02856	0.5
147.04485	0.5
149.00934	2.3
150.03215	0.5
150.05630	1.8
159.03030	0.5
161.02422	1.7
161.04559	3.5
162.05618	8.5
163.03987	1.6
163.06406	4.7
166.05038	0.9
176.07185	0.9
178.02708	0.7
178.05103	7.2
179.03491	1.4
179.05464	0.4
192.06586	1.0
193.05022	1.5
194.04565	1.0
195.05174	0.5
200.14432	1.6
203.11064	0.4
211.13371	0.7
213.14079	0.7
219.03052	1.1
220.03725	0.5
220.05992	0.4
221.06639	2.3
243.15033	5.2
255.13774	1.0
268.12399	0.4
273.14917	0.8
283.14471	0.8
287.14011	100.0
287.22324	1.8
288.14337	10.4
293.03064	0.5
301.15634	2.4
317.14053	0.8
322.52054	0.4
323.09766	0.5
329.15060	16.3
330.15448	1.7
379.74408	0.5
434.22391	0.4
449.13385	1.4
449.19394	3.2
449.27597	5.7
450.19803	0.9
450.27991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43687	0.2
58.50297	0.2
59.01371	0.7
62.96379	0.4
63.18845	0.2
65.99438	0.3
78.95904	51.5
87.00832	0.4
96.96960	5.7
107.78236	0.2
133.02998	0.2
150.98024	1.8
152.99591	100.0
153.99945	1.6
171.00635	4.0
178.02797	0.4
195.13892	0.4
226.78528	0.2
230.11725	0.4
255.78639	0.2
295.22687	0.4
444.65289	0.3
449.23065	10.7
450.23376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74456	0.4
58.00605	0.4
58.67659	0.3
59.01381	100.0
60.01714	1.5
60.98610	0.4
61.98831	18.4
69.29702	1.8
69.30135	2.0
71.01383	10.4
72.99336	0.6
73.02953	2.8
73.94996	0.3
83.01402	1.2
85.02961	3.1
87.00893	1.5
89.02441	10.3
91.01897	2.7
93.49107	0.3
95.01411	0.8
99.00913	0.8
101.02440	9.2
109.02974	1.4
113.02464	4.9
119.03493	5.6
119.04977	0.4
123.00897	1.1
123.04525	1.6
125.02460	0.7
131.03554	0.9
133.02986	1.5
135.00879	4.5
135.04509	0.7
138.05508	0.4
143.03535	1.9
146.04599	0.4
149.00945	0.5
149.02400	0.7
149.04623	0.6
150.03238	1.2
151.03995	3.7
153.01953	2.0
159.03012	0.6
161.04547	6.6
163.00356	4.7
163.01436	0.4
169.87053	0.5
179.05626	4.4
209.15509	0.5
225.05548	1.0
227.16603	1.7
269.04559	8.1
287.05594	3.0
310.85693	0.4
313.09360	0.6
317.19598	0.4
389.21805	8.2
390.22110	1.1
414.75128	0.4
449.10672	2.0
449.24026	0.6
459.29672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74456	0.4
58.00605	0.4
58.67659	0.3
59.01381	100.0
60.01714	1.5
60.98610	0.4
61.98831	18.4
69.29702	1.8
69.30135	2.0
71.01383	10.4
72.99336	0.6
73.02953	2.8
73.94996	0.3
83.01402	1.2
85.02961	3.1
87.00893	1.5
89.02441	10.3
91.01897	2.7
93.49107	0.3
95.01411	0.8
99.00913	0.8
101.02440	9.2
109.02974	1.4
113.02464	4.9
119.03493	5.6
119.04977	0.4
123.00897	1.1
123.04525	1.6
125.02460	0.7
131.03554	0.9
133.02986	1.5
135.00879	4.5
135.04509	0.7
138.05508	0.4
143.03535	1.9
146.04599	0.4
149.00945	0.5
149.02400	0.7
149.04623	0.6
150.03238	1.2
151.03995	3.7
153.01953	2.0
159.03012	0.6
161.04547	6.6
163.00356	4.7
163.01436	0.4
169.87053	0.5
179.05626	4.4
209.15509	0.5
225.05548	1.0
227.16603	1.7
269.04559	8.1
287.05594	3.0
310.85693	0.4
313.09360	0.6
317.19598	0.4
389.21805	8.2
390.22110	1.1
414.75128	0.4
449.10672	2.0
449.24026	0.6
459.29672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94452	0.5
57.03471	0.7
59.01384	35.2
60.01708	2.9
60.60327	0.4
61.98834	100.0
62.49127	0.4
69.03482	0.4
69.89851	1.7
69.90280	0.6
71.01394	5.0
72.01752	0.5
73.02952	2.1
80.55157	0.5
83.01385	0.7
85.02973	0.9
87.00921	0.6
89.02460	3.6
90.02805	0.5
101.02440	3.9
102.02833	0.8
113.02437	2.1
114.02805	0.7
114.71776	0.4
119.03533	1.9
121.02945	0.5
125.02446	6.3
143.03548	0.6
146.04655	0.4
149.02521	0.8
151.00360	1.0
153.09198	0.5
161.04584	1.5
162.04898	0.6
165.01936	0.5
178.99910	1.1
179.03410	0.4
179.05685	1.2
207.14006	0.6
208.14285	0.5
243.06560	0.5
244.16298	0.7
259.06116	4.4
269.04550	5.2
287.05612	3.7
388.20743	1.5
389.21829	0.8
406.21930	1.4
448.22870	1.1
449.10864	3.7
449.24207	0.7
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
53.82262	0.5
55.01883	0.7
57.03448	1.1
59.01380	70.3
60.01716	5.6
61.01817	0.8
61.98832	100.0
66.74363	0.5
69.79158	1.4
69.79565	2.3
71.01389	8.1
72.01717	0.7
73.02953	3.2
83.01389	1.1
85.02964	2.4
87.00888	0.7
89.02443	5.4
89.97771	0.6
95.01366	0.6
98.20570	0.7
99.00858	0.8
101.02435	6.6
105.36567	0.7
113.02455	3.5
113.15229	0.6
114.02777	0.9
119.03526	1.7
135.04524	0.8
143.03468	0.8
149.00912	1.1
150.10118	0.6
161.04521	4.4
162.04948	1.3
167.10802	1.7
168.11226	1.2
179.05687	2.1
180.06082	0.6
208.03503	0.6
226.15318	0.8
272.28375	0.7
287.05865	0.9
353.30795	0.6
388.20633	1.8
389.21875	0.9
448.23233	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.0
60.18651	1.7
61.98834	40.6
70.64079	2.6
70.64426	3.9
78.95908	59.8
87.00846	2.7
96.96965	6.2
99.92559	2.3
116.92870	2.8
128.98933	1.7
131.77193	1.8
138.11441	1.8
152.99588	100.0
153.99956	2.6
156.89436	3.3
171.00616	5.2
178.02699	4.3
211.13419	1.6
437.14841	1.8
448.31985	2.4
449.23105	12.0
449.32724	4.7
467.92767	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	448.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.5
60.96233	1.6
61.98833	37.3
63.00357	1.4
70.63061	1.9
70.63412	5.1
78.95902	61.1
96.96043	2.6
96.96964	6.1
97.94352	1.9
97.95016	1.5
98.86311	1.7
116.92894	1.8
133.02969	2.0
134.03732	3.3
152.99591	100.0
153.99928	2.6
162.10965	2.0
171.00648	4.4
172.29907	1.5
177.01860	2.5
178.02679	3.1
183.17267	1.6
232.48944	1.7
317.13913	2.2
449.22861	13.5
449.32565	3.9
466.81870	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	449.1503
Annotation	Suvorexant
Peak:m/z	Relative Intensity
53.11693	0.5
59.01380	2.8
62.96414	25.0
64.47086	0.4
70.64370	1.5
78.95911	57.7
79.72108	0.5
80.97474	31.5
87.00881	1.3
103.00388	1.5
133.02907	0.8
134.03745	2.2
139.58197	0.5
140.26158	0.5
149.00104	14.7
151.00493	0.5
152.99599	1.8
178.02794	0.7
178.10760	0.5
179.01208	1.5
180.45421	0.5
186.13225	0.4
205.15987	7.4
206.16360	1.0
234.34692	0.4
242.98280	5.2
248.76961	0.6
281.21179	0.6
285.12579	1.7
286.87952	0.6
317.13919	2.9
355.16837	16.9
356.17227	2.4
385.17868	20.9
386.18027	2.5
420.55328	0.5
449.14951	100.0
450.15289	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03443	0.8
58.00585	0.5
59.01382	100.0
60.01728	0.7
61.98829	0.8
65.22705	0.5
69.26897	4.0
69.27300	1.3
71.01383	14.4
72.01719	0.5
72.99313	0.6
73.02947	4.8
75.00867	0.6
83.01379	1.4
85.02962	4.5
87.00896	2.1
89.02448	7.0
95.01424	0.7
97.02908	0.6
99.00883	1.5
101.02448	9.3
109.02980	0.6
112.98792	0.9
113.02443	5.8
113.03121	0.6
119.03533	2.8
125.02447	0.6
130.99907	0.6
135.04530	1.2
135.34396	0.5
137.09755	0.5
141.09317	0.6
141.54907	0.5
143.03548	1.3
144.42584	0.6
145.02957	1.2
153.01967	0.6
159.03069	1.5
161.02512	0.9
161.04576	15.7
162.04958	0.9
179.03517	1.0
179.05609	1.4
186.06276	0.5
207.13960	0.7
211.13428	2.8
226.08766	0.8
255.02928	0.8
270.05408	1.9
271.02692	0.7
284.03409	2.1
285.04132	5.2
285.07776	3.1
300.02954	0.8
301.03510	0.7
315.12686	0.8
387.20236	7.7
388.20615	0.7
410.17569	0.7
447.09619	1.7
447.26590	5.7
448.26300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2386
Annotation	Ugaferin
Peak:m/z	Relative Intensity
52.81741	0.5
59.01385	6.7
61.98827	1.0
71.01392	0.9
71.16653	1.0
76.91846	0.5
78.95908	2.6
89.02436	0.7
93.03461	0.8
96.96043	0.6
105.03447	0.5
116.92838	2.4
117.01930	0.6
117.03485	1.5
132.02118	0.6
133.02957	20.9
134.03770	4.3
135.04529	29.8
136.04839	1.0
137.02409	2.9
139.04027	1.2
152.99596	2.2
156.89482	1.3
161.02444	100.0
162.02765	4.4
171.10245	0.6
174.83835	0.5
178.02731	0.9
179.03500	10.5
201.98251	0.5
211.13397	1.5
267.19699	0.7
271.02579	0.5
285.03946	0.8
285.20706	9.8
286.21033	0.9
429.22357	2.6
447.23843	53.3
448.24246	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89622	0.4
56.44085	0.3
68.00230	0.4
70.23317	1.1
70.23712	0.9
74.50013	0.4
78.95908	6.3
96.84908	0.4
98.20528	0.6
110.98531	4.4
167.01169	2.5
185.02191	4.3
261.22144	0.5
279.23276	100.0
280.23627	10.4
323.09406	0.4
446.93808	0.4
447.25143	5.8
448.25522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46071	0.7
57.03442	0.9
59.01381	22.0
60.01714	1.4
71.01392	3.0
71.59459	0.8
71.59863	0.8
72.99318	4.2
73.02933	1.1
87.00880	9.6
89.02457	1.0
101.02460	1.5
103.00371	3.1
104.03542	2.7
105.01936	6.0
106.02303	1.2
109.02979	1.4
109.75351	0.7
113.02412	1.4
116.66027	0.7
119.05013	1.8
124.04092	1.1
130.99860	1.6
134.03746	2.9
135.04532	76.6
136.04871	4.5
149.00926	74.7
149.09721	0.8
150.01266	2.1
153.09200	1.0
163.04051	1.3
164.03494	0.8
167.10771	1.3
168.11124	0.8
179.03508	100.0
180.03879	5.8
187.11211	0.7
190.71657	0.7
193.56845	0.9
194.08246	5.8
214.80905	0.6
243.16132	1.1
252.21585	0.9
311.04132	14.1
312.04657	1.7
336.53458	0.8
375.14529	0.8
388.20627	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50559	0.4
59.01380	38.6
60.01714	0.8
61.98831	100.0
71.01385	4.0
71.34357	0.6
73.02934	0.9
75.25070	0.3
78.47568	0.3
85.02957	1.2
87.00874	0.4
89.02444	4.0
93.64295	0.4
101.02449	3.0
113.02438	1.9
114.65533	0.4
119.03509	1.6
137.06892	0.4
143.03525	0.4
146.04576	0.6
161.04501	2.3
179.05566	1.9
388.20468	0.6
389.21805	3.1
457.96149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51879	0.4
56.43976	0.5
56.80129	0.4
57.03463	3.8
59.01381	100.0
60.01721	1.2
65.36104	0.4
65.80716	0.4
69.03474	0.7
69.40771	3.4
69.41177	0.8
70.82665	0.5
71.01383	11.4
73.02950	12.3
77.89237	0.4
81.35853	0.5
83.01395	2.4
83.05027	0.6
85.02959	3.5
87.00890	0.6
89.02454	4.2
95.01413	0.7
99.00883	0.7
101.02439	8.4
112.05317	0.5
113.02444	5.9
114.02744	0.5
119.03536	1.7
125.02407	0.4
125.06114	0.5
128.96281	0.5
131.03506	0.9
134.07350	1.2
135.08162	0.8
137.09756	0.9
139.07664	1.7
143.03479	0.9
149.09723	10.7
150.10056	0.6
151.04028	1.0
153.04576	0.5
153.09219	7.6
154.09564	1.1
160.06264	0.5
161.04576	2.2
167.10773	20.3
168.11127	1.0
179.05688	0.5
207.13937	0.9
209.11852	0.7
225.14984	1.8
243.15977	5.0
244.16270	0.7
290.14182	0.5
347.49393	0.5
387.20322	3.8
388.20728	0.7
405.21387	1.3
447.15259	1.4
447.22318	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
56.61457	0.3
56.97538	0.3
59.01379	100.0
60.01711	2.0
61.01814	0.6
69.31725	3.1
71.01383	6.2
71.01759	0.4
73.02948	0.5
85.02956	1.0
85.85168	0.3
87.00900	0.5
89.02446	10.0
90.02792	0.3
90.48000	0.3
95.01423	0.4
98.19875	0.6
101.02438	3.0
104.85838	0.3
106.67936	0.3
113.02451	2.8
119.03499	4.2
121.02945	0.6
123.04581	0.4
131.03505	0.4
138.24808	0.3
140.80809	0.3
143.03529	1.2
154.01518	0.4
161.04575	1.5
167.03586	0.4
167.10844	0.5
179.05617	4.8
191.86842	0.3
209.04533	0.4
387.20172	1.6
447.22794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
59.01381	100.0
60.01718	1.1
61.98826	2.8
69.85360	0.3
70.12526	0.4
70.12943	1.1
71.01382	9.6
72.99316	0.5
73.02951	7.3
83.01375	1.9
83.77106	0.4
85.02946	2.2
89.02454	5.2
95.01419	0.8
98.75629	0.4
101.02450	7.3
109.85390	0.4
111.13873	0.3
112.05347	0.5
113.02459	6.0
119.03525	1.8
123.04557	0.5
131.03484	0.8
134.07442	0.6
135.08173	0.5
135.78265	0.3
137.09712	0.8
139.07666	1.1
143.03558	0.8
145.06224	0.5
146.04601	0.4
149.00996	0.3
149.04588	0.6
149.09721	8.3
153.09222	4.6
154.01472	2.3
156.59679	0.3
156.97862	0.4
161.04526	1.9
167.03577	0.4
167.10773	13.7
168.11168	1.0
179.05676	1.4
207.13876	0.3
209.11963	0.6
213.25119	0.4
216.92561	0.4
225.15015	2.2
243.15973	2.2
387.20142	3.0
388.21133	0.5
405.21347	0.8
447.15274	0.4
447.22485	1.1
448.22147	0.4
467.68060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76105	0.5
59.01380	100.0
60.01712	1.5
61.98829	0.8
62.78781	0.4
68.67282	0.4
69.97367	1.2
69.97762	1.3
71.01373	5.4
73.02955	1.7
77.61900	0.5
81.62565	0.5
85.02950	2.8
89.02437	3.2
98.19970	1.0
101.02432	4.2
113.02464	3.4
119.03526	1.2
123.08198	1.0
137.09680	0.6
143.03459	0.8
159.02968	0.9
161.04573	7.3
179.05666	1.2
189.12906	2.1
207.13864	3.0
225.15002	1.1
284.45499	0.5
387.20294	1.4
405.26242	0.6
430.40936	0.6
447.22293	0.8
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
57.03453	1.5
59.01381	100.0
60.01704	1.6
61.98829	18.8
63.84694	0.5
69.03458	0.6
69.62231	3.3
71.01384	11.2
73.02943	5.3
80.23515	0.6
83.01391	1.3
85.02954	3.3
85.11636	0.6
86.56897	0.6
89.02444	7.8
91.11422	0.5
92.05334	0.5
95.01411	0.7
99.00895	0.9
101.02445	7.3
106.44312	0.5
108.37504	0.5
108.62438	0.6
113.02454	5.5
116.99347	0.6
119.03536	2.9
143.03502	1.2
149.09734	2.3
150.47821	0.7
161.04561	7.7
167.10771	3.4
179.05673	2.2
225.15034	1.2
387.20300	2.3
445.87457	0.5
447.22696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
58.00600	0.5
59.01382	100.0
60.01715	1.3
62.89710	0.4
68.83761	0.4
69.37798	3.7
71.01384	6.6
73.02953	2.1
81.01485	0.5
83.01415	0.6
85.02966	2.2
89.02443	3.7
95.01415	0.7
101.02431	4.0
113.02460	2.6
119.03539	1.3
123.08178	2.9
128.84175	0.6
159.03012	0.8
161.04547	4.1
163.11337	2.1
179.05615	2.8
189.12840	2.4
189.39398	0.5
192.68845	0.5
207.13930	4.6
278.56464	0.6
387.20316	1.7
398.99048	0.6
447.22504	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
59.01381	100.0
61.98823	4.5
66.08468	1.2
71.01386	18.0
71.04996	1.8
72.99335	1.3
73.02601	1.4
73.02946	6.8
83.01382	1.8
85.02944	5.8
87.00874	2.7
87.04507	1.6
89.02450	7.9
89.55810	1.0
94.78616	1.1
95.01371	2.1
99.00874	2.6
101.02430	10.5
103.00422	1.5
103.53315	1.0
108.38883	1.0
109.02983	2.2
111.11477	1.1
112.80379	1.0
113.02445	10.9
119.03551	3.3
119.05043	1.2
122.06108	7.5
132.53658	1.2
135.04559	2.6
136.00383	1.0
143.03461	1.3
144.04520	1.9
145.05331	4.8
146.06078	2.5
149.00899	3.1
153.01935	1.2
154.25954	1.0
159.03069	1.6
160.04059	14.2
161.04625	16.3
162.05540	1.5
176.03563	3.0
177.04245	1.9
179.05659	1.7
189.04308	24.4
189.06046	1.3
189.41180	1.1
190.04700	2.0
193.03812	4.4
207.13918	2.0
211.13411	2.6
221.03314	6.1
221.06796	5.7
225.14938	3.3
243.11334	3.1
253.05930	2.9
267.11365	15.1
268.11719	1.4
283.10901	2.2
285.04120	2.6
285.17114	3.3
311.10376	18.6
312.10733	1.9
315.18118	3.7
343.12979	66.8
344.13330	8.9
387.20340	12.5
388.20578	2.1
407.52563	1.1
447.22229	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04401	0.4
54.66512	0.3
55.40483	0.4
57.03447	0.3
59.01126	0.5
59.01384	4.3
61.98832	2.5
71.01387	0.8
76.76694	0.3
78.95904	57.4
96.96019	0.5
96.96980	6.3
112.11638	0.3
124.66378	0.4
150.98068	1.7
152.84657	0.3
152.99586	100.0
153.99928	2.0
154.01060	0.4
161.02428	1.0
171.00641	4.5
211.13445	0.8
267.54193	0.4
285.04099	0.5
293.21002	0.5
300.02606	0.4
394.81653	0.3
436.23077	0.4
447.09558	0.4
447.21460	8.5
447.31253	1.3
448.21899	1.1
448.60889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62733	0.2
53.97314	0.2
54.10085	0.3
59.01385	4.6
61.98818	0.4
62.96389	0.3
70.62112	0.3
70.62466	0.8
71.01379	0.3
73.02956	0.3
78.95905	54.9
89.02437	0.5
96.96966	6.8
99.04514	0.7
101.02412	0.5
112.98757	0.3
132.56255	0.3
134.03703	0.3
135.76294	0.3
149.00082	1.0
150.98015	1.9
152.99590	100.0
153.99924	1.6
158.99687	0.3
161.04616	0.3
171.00641	4.4
179.03568	0.4
190.50188	0.3
194.03539	0.3
211.13408	1.2
293.21304	0.4
311.42050	0.3
447.07776	0.4
447.13513	6.5
447.21579	10.9
447.31329	0.8
448.14355	0.7
448.21988	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92118	0.5
55.01876	0.9
57.03450	2.2
58.00610	1.0
59.01380	100.0
60.01709	1.1
69.81024	0.5
70.12456	1.9
70.52416	0.5
71.01385	26.1
71.05032	1.5
72.01709	0.7
72.99313	1.0
73.02947	8.4
80.97759	0.6
81.03471	0.7
83.01409	2.7
84.02220	0.7
85.02959	9.7
87.00888	2.5
89.02452	11.0
90.02776	0.7
95.01402	2.6
97.02950	0.8
98.19893	0.6
99.00895	1.9
99.04543	2.0
101.02444	13.4
101.06078	4.8
112.58862	0.5
113.02448	22.4
113.03236	1.1
114.02753	0.7
119.03530	4.0
123.04554	0.7
123.08175	4.7
125.02476	1.5
125.06131	1.5
131.03513	0.7
138.06882	1.2
139.07701	1.8
141.09216	19.0
141.10278	1.0
143.03545	3.2
146.99222	0.6
149.04620	0.6
149.09746	1.1
151.11339	0.9
153.09232	2.1
153.12830	0.7
153.92204	0.5
154.61784	0.6
161.04533	5.4
167.03600	1.8
167.10779	1.4
179.05673	2.2
181.12347	3.2
195.13924	1.3
197.10068	0.6
205.12381	0.9
207.13965	1.2
209.04550	1.0
215.45528	0.6
225.14966	3.5
243.15999	24.6
244.16525	1.4
250.67392	0.6
387.20261	35.2
388.20706	4.1
405.21298	15.9
406.21896	1.8
438.09927	0.7
447.22583	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
61.66239	0.3
62.96402	1.0
64.75847	0.3
70.52769	0.7
70.53098	0.3
73.86081	0.3
78.95905	37.7
96.96967	2.9
106.26425	0.3
107.20238	0.3
132.51225	0.3
149.00092	18.4
152.99507	0.3
158.92551	1.9
159.07692	0.3
179.01158	2.9
205.15958	1.1
222.22455	0.3
347.08292	0.8
417.12439	1.3
431.10236	2.4
432.10757	0.4
447.13406	100.0
448.13760	13.5
464.10040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
59.01380	100.0
61.98830	29.9
68.62798	1.0
69.30121	6.2
69.30529	2.1
71.01382	15.5
72.99316	1.0
73.02940	3.9
79.95788	0.8
81.96230	0.9
83.01402	2.8
85.02959	5.6
87.00859	2.5
89.02452	7.8
93.03486	0.9
95.01379	2.2
99.00890	0.9
101.02447	11.2
107.01378	1.6
108.02148	1.0
113.02429	6.7
119.03487	3.0
122.06143	4.9
131.01324	0.9
133.02937	1.4
134.03702	1.0
143.03467	1.4
145.05396	2.7
146.06183	2.0
149.00868	0.9
149.02470	1.2
151.00362	2.0
152.01106	1.1
159.03073	1.5
160.04037	9.8
161.04642	15.7
176.03484	3.3
177.04271	1.3
179.03522	1.0
188.03398	1.2
189.04295	13.7
190.04829	1.3
193.03734	3.6
211.13458	2.7
221.03236	3.3
221.06853	4.8
225.14996	2.4
227.03609	1.1
243.11420	3.0
253.05780	2.4
256.03687	2.6
267.11356	10.0
283.10703	1.6
284.03238	27.9
285.04016	55.3
286.04349	4.8
311.10291	11.3
312.10681	2.4
315.18015	1.3
343.12970	53.5
344.13287	6.7
387.20190	17.0
388.20532	2.3
447.09271	34.0
447.22043	1.4
448.09583	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	447.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79186	0.4
55.01881	0.8
57.03461	1.9
58.00601	1.2
59.01381	100.0
60.01718	2.2
61.98827	3.3
64.22112	0.4
65.03967	3.6
67.01901	1.7
69.03465	1.8
71.01385	25.2
72.99316	1.9
73.02950	7.6
75.00893	1.1
81.03471	1.1
83.01383	2.9
83.05016	0.9
85.02957	5.6
87.00887	3.5
89.02446	18.3
90.02753	0.6
91.01886	1.0
93.03463	1.7
95.01405	1.4
96.96008	0.9
97.02964	1.9
99.00903	2.6
99.04532	3.5
101.02448	13.9
101.06096	0.8
105.01936	0.5
108.02178	0.6
109.02956	36.7
109.06541	0.5
110.02477	0.5
110.03255	0.7
111.00870	0.8
111.04573	0.6
113.02450	9.5
115.03999	1.1
119.03511	4.5
119.05041	0.9
120.01299	1.1
121.02995	0.8
122.02470	0.6
123.04563	2.6
123.08170	1.2
124.39749	0.5
125.02428	4.3
125.06068	0.7
126.60862	0.5
128.03537	1.3
129.03992	0.5
131.03502	1.5
135.00912	6.2
135.04530	2.0
136.04021	0.9
137.02451	2.4
137.09793	0.5
138.05621	2.7
139.07669	0.6
141.09203	2.0
143.03499	1.5
145.02896	0.8
147.04546	1.0
149.00929	1.7
149.04568	2.0
149.05981	0.7
149.09738	3.4
149.51016	0.5
150.01985	1.0
151.00414	0.6
151.03978	0.9
152.01126	0.8
153.01942	77.5
153.09273	2.4
154.02307	4.5
161.04576	4.1
163.04057	1.0
164.03526	9.0
165.02040	0.6
167.03494	4.2
167.10759	6.5
179.03474	1.1
179.05670	2.5
180.04280	0.5
183.06630	0.8
191.05565	0.8
195.06592	1.0
207.06581	0.6
209.04581	0.8
225.07600	1.6
225.14838	1.2
233.06650	2.6
243.16051	4.2
253.08725	1.3
271.09509	1.2
283.10138	0.6
285.03958	2.0
285.17065	1.1
293.08685	1.5
315.08649	1.5
357.25803	0.5
359.09515	0.8
387.15759	0.6
387.20276	6.0
388.20401	0.7
403.12186	1.2
405.15796	2.2
405.21161	3.0
447.11118	23.8
447.22214	2.2
448.10873	2.8
448.13876	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	447.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.2
59.01382	23.5
61.98830	2.1
63.02390	1.1
65.00316	1.9
65.63405	0.6
67.09492	0.6
69.37656	0.5
69.39541	5.0
71.01382	4.2
72.99307	0.8
73.02946	1.6
73.24704	0.5
75.89544	0.5
83.01393	2.1
85.02959	1.4
87.00871	2.1
88.98807	4.1
89.02450	2.2
93.03448	1.2
99.00864	1.1
101.02441	2.3
107.01414	4.8
108.02178	1.1
109.02969	4.6
112.98804	1.0
113.02451	1.8
119.01400	0.9
119.05048	0.9
121.02962	4.5
122.06097	0.7
135.00873	1.2
135.04510	2.4
145.02946	0.8
145.06090	0.6
147.04466	0.7
148.01622	1.3
149.00986	0.7
149.02464	1.0
151.00366	19.3
152.00876	0.5
159.04448	0.9
161.02422	1.6
161.04555	1.1
163.00368	3.8
163.03955	1.0
164.01152	0.6
171.04480	0.7
175.03932	0.8
178.99857	8.3
179.03508	1.1
183.04460	1.0
185.06158	0.8
187.03957	1.4
190.99922	0.7
198.03369	0.6
199.03990	0.8
201.05542	0.9
207.13869	0.6
211.04004	1.9
211.13388	5.4
219.03223	0.6
226.02652	1.3
227.03435	3.1
229.05058	1.7
239.03441	1.1
241.08641	1.2
243.03026	5.8
244.03368	0.7
245.04465	3.6
254.02275	1.8
255.02979	14.4
256.03482	1.7
257.04443	0.7
270.05228	1.1
271.02472	32.5
272.02811	3.8
273.04001	2.3
282.99554	0.6
283.02469	3.4
283.05597	0.6
284.03122	0.9
285.04077	2.1
285.07239	1.2
299.02005	0.7
300.02756	37.0
301.03516	100.0
302.03864	10.2
315.12350	1.3
377.12497	0.6
387.20370	0.8
389.10913	0.6
447.09293	39.1
447.26242	4.8
448.09418	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61585	0.5
59.01380	33.1
61.98817	2.8
65.00314	0.8
69.76671	0.5
70.22852	1.9
71.01377	6.1
72.99261	0.6
73.02934	1.7
83.01379	1.2
85.02910	1.6
87.00854	2.0
89.02429	3.0
95.01383	0.7
99.00874	0.7
99.92585	1.3
101.02443	3.0
103.00360	0.8
107.01360	1.9
108.02165	1.2
109.02924	1.8
112.98769	1.8
113.02451	3.0
113.03099	0.6
115.92089	4.0
116.92068	1.0
116.92860	14.3
117.92837	1.1
118.97618	0.6
119.03477	1.2
121.02939	1.6
124.01585	0.6
125.02520	0.5
135.00851	0.9
135.04498	1.9
136.01653	1.5
143.03477	0.7
145.02946	1.0
148.01614	1.3
149.00923	0.9
149.02428	0.9
151.00372	6.8
151.03972	2.2
152.01120	0.6
161.04533	1.3
163.00348	2.3
163.04030	0.9
172.05449	0.6
175.04057	0.8
178.99889	2.8
192.00412	0.6
193.04971	0.6
198.54778	0.6
199.03999	1.4
203.03474	0.6
207.13728	0.6
209.11758	1.0
210.12083	0.7
211.04094	1.3
211.05977	0.8
211.13361	3.0
215.03481	0.9
216.04228	0.9
226.02711	2.9
227.03506	4.6
243.02983	12.7
243.06573	1.2
244.03397	1.2
245.04456	1.1
254.02240	3.2
255.02982	26.3
256.03336	2.2
257.04550	0.9
271.02472	61.9
272.02872	7.4
273.03638	0.7
283.02362	1.1
284.03226	3.0
285.04071	12.2
286.04449	1.2
299.01910	1.3
300.02734	100.0
301.03394	29.4
302.03851	2.1
303.21664	1.4
315.12527	0.9
387.20193	1.9
405.21268	1.0
423.53113	0.7
431.87543	0.5
447.09332	71.9
447.26056	7.1
448.09637	9.7
448.26324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01381	41.0
61.31990	0.5
61.98834	3.2
65.65348	0.6
69.31129	5.2
71.01391	5.2
72.99290	0.8
73.02939	2.2
81.03474	0.9
83.01395	0.9
85.02930	2.2
87.00869	2.2
89.02429	2.7
93.03447	0.6
95.01309	0.7
98.20656	1.3
101.02447	3.1
101.03003	0.6
103.00343	1.0
107.01372	1.1
107.50697	0.5
108.02185	1.0
109.02956	3.1
112.98795	1.9
113.02450	1.7
119.03495	0.9
121.02972	0.6
123.04529	1.5
125.02460	0.8
133.02943	0.9
135.04515	6.3
137.02428	1.3
139.00314	0.6
145.02911	0.8
149.00874	1.3
149.06168	0.6
151.00343	2.4
153.01949	5.2
161.02431	1.6
161.04575	2.0
163.00323	0.8
163.03926	0.8
169.06546	0.6
175.03908	0.7
179.03436	2.1
183.04477	1.7
187.04045	0.6
209.11897	1.6
210.12099	1.2
211.04004	1.7
211.13396	4.3
219.02983	1.7
225.14819	0.8
226.72121	0.6
227.03491	68.9
228.03831	6.5
229.05045	2.3
229.31952	0.5
255.02975	83.0
256.03500	14.1
257.04419	2.0
271.02283	1.2
271.09351	0.6
284.03253	66.1
285.03961	36.1
286.04471	3.1
293.03165	1.1
297.16986	0.8
299.18616	0.6
300.02786	1.3
315.18143	1.3
327.04907	1.0
387.20154	2.4
447.09305	100.0
447.26279	2.0
448.09680	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
58.00598	0.7
59.01380	88.5
60.01716	0.8
61.29900	0.6
61.98824	1.9
69.37023	0.8
71.01379	12.8
71.05023	0.7
71.61712	1.4
72.99306	1.1
73.02964	5.2
83.01401	1.9
85.02956	3.5
85.39133	0.7
85.75749	0.7
87.00858	3.5
89.02455	10.2
93.03489	0.9
95.01341	0.9
97.39458	0.8
97.84033	0.7
99.66707	0.8
101.02453	8.2
102.37318	0.7
103.00378	0.8
107.01420	1.0
108.02154	1.7
109.02975	1.8
112.98799	1.6
113.02472	7.6
117.03446	0.8
119.03527	4.0
119.05006	0.9
121.06422	0.7
123.04540	1.2
125.02444	1.2
126.83859	0.8
131.03528	0.7
133.02966	1.7
134.03761	1.0
135.04533	3.9
137.02435	2.2
143.03474	0.8
145.02997	0.9
149.00943	2.5
151.00352	2.5
153.01996	3.9
159.02998	0.8
161.04559	4.8
163.04106	0.8
169.06682	1.5
175.03946	0.8
179.03513	1.6
179.05583	3.4
181.09859	1.1
181.12492	0.8
183.10292	1.8
207.13937	2.4
211.04037	1.9
211.13467	4.8
213.05573	0.9
219.02960	0.8
225.14954	0.8
227.03494	58.9
228.03831	5.8
229.05046	1.4
239.03500	0.9
240.04082	1.1
241.07378	1.7
243.16029	1.2
253.09261	1.0
255.02983	76.2
256.03564	12.2
257.04425	2.0
271.06152	0.9
271.10013	0.8
284.03262	68.6
285.03983	35.2
285.07043	0.7
286.04391	2.4
296.12488	1.5
303.21634	0.9
315.18121	0.9
327.04993	0.9
387.20291	5.1
399.52194	0.8
405.21143	1.7
447.09308	100.0
447.26749	4.0
448.09628	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01379	36.7
60.01704	0.5
61.98833	6.2
62.27759	0.3
63.02397	1.3
64.74358	0.3
65.00349	0.8
69.50573	1.3
69.50984	0.8
71.01382	4.3
72.99315	0.5
73.02940	1.1
83.01389	1.4
85.02955	1.2
87.00890	0.8
89.02441	3.9
95.01406	0.6
99.00865	0.4
101.02425	2.9
105.03471	0.3
107.01369	2.5
109.02945	0.8
112.98824	0.3
113.02444	2.0
113.03121	0.3
119.03499	1.5
121.02911	0.5
133.02945	4.2
134.03783	1.6
135.04483	0.9
143.03481	0.7
145.02942	0.5
149.00934	0.6
149.02429	1.4
149.04541	0.3
151.00374	4.2
152.01125	0.6
159.04451	0.3
161.02470	0.4
161.04567	2.2
161.05789	0.5
164.03488	0.7
171.04541	0.3
175.04004	1.3
179.03416	0.4
179.05536	0.9
181.12326	0.3
183.04497	0.7
187.03979	0.5
189.04279	0.6
199.04012	1.8
200.04765	0.6
201.01985	0.7
206.60176	0.3
207.13875	0.6
211.04034	0.9
211.07755	0.3
211.13409	1.0
212.04761	0.3
213.05574	0.6
217.05051	1.2
225.09798	0.5
225.14957	0.8
227.03555	1.7
239.03421	0.7
241.05037	0.7
243.02956	0.7
255.03050	1.0
256.03769	3.9
257.04422	0.7
267.03073	0.4
267.11484	0.3
283.02548	0.6
284.03265	56.0
285.04022	100.0
286.04373	9.1
311.10345	0.5
327.04980	0.7
343.12943	1.9
387.20084	2.6
447.09308	68.9
448.09641	9.6
469.32230	0.3
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
50.77589	0.8
59.01383	16.6
60.01712	1.5
61.98832	13.4
70.64249	2.2
71.01373	1.1
77.52246	0.7
78.95907	64.0
87.00847	0.8
96.96960	5.3
116.92875	1.0
123.19257	0.7
147.98280	0.9
149.00082	17.4
149.01180	1.5
152.99594	39.8
156.89503	0.8
158.92532	1.5
161.80791	0.9
171.00609	2.1
172.36111	0.7
179.01184	1.9
205.15947	1.6
211.13374	1.6
246.55472	0.8
312.22601	1.7
417.12500	1.0
431.10294	2.4
446.20660	1.0
447.13434	100.0
447.21158	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	446.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98861	2.0
59.01380	29.8
61.01829	2.4
61.98830	100.0
69.35958	17.4
69.36378	3.9
71.96807	2.4
78.95925	11.6
87.00884	12.3
89.02443	2.8
96.96037	2.5
103.00375	3.1
106.03085	2.1
112.98815	6.4
130.99893	3.4
133.02950	10.2
134.03754	15.3
135.04547	5.5
152.99590	10.0
171.47026	2.7
177.01869	3.1
178.02733	14.9
179.03490	5.5
211.13483	5.2
315.12411	14.3
349.19156	3.5
387.20322	2.8
446.21402	2.4
447.13434	6.5
447.31009	7.1
474.58401	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	0.7
59.01379	10.7
59.62951	0.3
61.53170	0.4
63.02390	0.8
65.00333	0.7
69.30740	4.3
71.01375	1.5
73.02921	0.6
83.01396	0.8
87.00883	0.8
89.02442	1.0
93.03439	0.5
101.02440	1.0
107.01392	2.2
108.02180	1.3
109.02965	1.8
113.02482	0.9
119.03459	0.5
121.02956	1.6
125.02405	0.6
135.00853	1.1
135.04507	0.8
148.01678	1.1
149.02386	0.5
151.00378	9.1
153.01930	0.6
159.04424	0.6
161.02495	0.7
161.04478	0.5
163.00400	2.4
169.01434	0.7
175.03796	0.4
178.99832	4.6
183.04486	0.6
187.04053	0.8
188.25037	0.4
190.99825	0.6
199.03954	1.7
201.05528	0.6
203.03419	0.8
207.13841	0.5
211.04013	1.2
211.13307	1.0
215.03546	1.1
216.04282	0.7
226.02711	3.4
227.03522	4.8
228.04071	0.4
229.04976	0.9
243.02968	14.6
244.03429	1.0
245.04456	1.1
254.02234	3.8
255.02977	24.6
256.03458	2.5
270.05255	2.3
271.02466	69.1
272.02914	7.8
273.03836	0.9
283.02386	0.9
285.04324	0.9
285.07721	2.1
286.08313	0.5
299.01849	1.5
300.02747	100.0
301.03445	45.5
302.03867	3.1
376.78503	0.4
387.20535	0.4
447.09302	74.5
447.26074	1.3
448.09702	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	446.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.9
60.01727	1.6
61.98832	33.7
71.01388	2.1
73.02950	1.6
78.95906	48.9
85.02943	1.5
87.00915	2.5
96.95947	1.7
96.96955	6.5
101.02380	1.8
112.98805	2.1
113.02336	1.6
130.08723	5.6
134.03671	2.0
152.99594	100.0
171.00629	4.2
178.02728	2.0
179.03421	2.4
211.13493	2.4
219.31854	1.5
229.27466	1.8
256.47778	1.4
300.52097	1.5
447.09067	1.8
447.21313	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	445.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01721	0.9
61.98824	0.8
70.14213	0.7
71.39215	1.2
73.48718	0.6
114.89917	0.6
116.93084	0.7
209.11894	0.9
250.77437	0.7
311.22324	9.2
312.22598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72682	0.7
59.01381	100.0
61.40799	0.5
61.98827	1.1
67.48128	0.5
69.43825	4.6
78.95921	0.6
89.02485	1.0
91.04007	4.1
137.55011	0.7
140.70998	0.6
152.99632	1.1
193.99541	0.6
197.11819	0.7
211.13477	1.8
293.21252	1.1
311.22290	18.4
312.22797	2.0
407.42255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79182	0.3
53.77896	0.3
59.01383	5.9
61.98829	100.0
67.79684	0.3
68.35117	0.3
71.01392	1.1
71.59509	0.5
73.02936	0.3
85.02959	0.3
89.02463	0.9
89.03564	0.7
96.96992	0.4
101.02372	0.4
108.02202	0.5
109.02969	1.1
113.02454	0.7
113.03595	0.5
120.01286	0.6
123.04515	0.4
130.08734	2.6
132.04176	0.5
135.00877	0.6
135.04494	0.4
136.86522	0.3
142.58134	0.3
149.00938	0.3
151.04004	0.4
151.96342	0.3
152.01253	0.4
153.01866	1.5
167.10832	0.4
179.03488	0.4
236.60843	0.3
243.15886	0.4
260.95148	0.3
327.17111	0.4
373.34183	0.3
387.20407	0.7
442.42459	0.3
447.11145	1.8
447.21313	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78675	0.4
59.01389	1.6
61.64908	0.5
66.14701	0.5
70.09794	2.0
73.02946	0.5
76.19273	0.5
78.95905	22.5
98.19869	0.8
98.80159	0.4
104.97483	0.7
105.34025	0.5
110.98533	14.6
113.41581	0.5
142.00858	0.4
167.01138	15.0
179.85216	0.4
185.02226	3.6
277.21722	100.0
278.22073	10.7
395.94785	0.6
445.17270	1.0
445.23557	18.7
446.23849	2.9
455.89478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
59.77963	0.4
62.78698	0.3
65.19466	0.4
72.81627	0.4
78.95902	6.4
83.05051	0.3
90.64827	0.4
91.85316	0.4
110.98534	4.6
115.73548	0.3
137.00026	0.4
137.07497	0.4
145.74419	0.4
159.68681	0.4
167.01141	2.4
185.02214	3.8
197.95155	0.4
259.20703	0.5
260.30566	0.4
261.71872	0.4
277.21729	100.0
278.22079	10.8
341.47739	0.4
445.23660	6.4
446.23895	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96694	0.9
59.01381	100.0
60.01700	1.1
67.63358	0.8
69.63215	6.5
71.01382	14.6
73.02932	1.5
83.05009	1.8
85.02957	2.5
87.00883	1.1
89.02448	30.7
90.79835	0.8
95.01408	2.1
101.02440	8.4
101.57256	0.8
113.02460	6.9
119.03511	11.2
131.03468	1.1
143.03534	3.5
144.08408	0.8
149.04462	0.9
159.30128	1.0
161.04535	3.2
164.04819	0.9
173.54546	0.9
179.05612	12.7
183.58632	0.9
376.18958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88683	0.8
53.13275	1.0
57.10799	1.1
59.01384	100.0
63.59628	1.0
69.55285	6.7
69.55671	1.4
71.01389	27.0
72.99304	1.4
73.02939	3.6
77.31847	0.9
83.01369	1.3
84.29295	0.8
85.02961	8.3
87.00861	2.9
89.02451	21.2
95.01390	2.0
97.02967	1.0
99.00911	2.2
100.71476	0.9
100.86925	0.9
101.02444	14.1
111.15470	1.0
113.02459	12.6
119.03485	6.9
121.02969	8.6
134.03766	1.2
135.04535	1.4
136.10912	1.2
138.06873	6.1
139.07658	1.8
143.03532	2.5
145.03006	2.3
147.86488	0.9
151.03970	2.0
151.07666	5.8
152.08450	12.5
153.09225	32.9
154.09416	1.2
154.55946	1.0
159.03021	1.4
161.04565	13.6
167.07155	1.2
179.05640	4.4
205.12300	12.7
209.11894	2.8
223.13405	12.3
224.13689	1.9
233.10721	1.2
235.52188	0.9
313.11829	1.5
385.18683	25.1
386.19012	3.3
403.19690	1.2
445.16226	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	445.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.21589	1.5
61.98817	4.4
63.55155	1.6
69.42100	8.2
69.42518	3.8
71.01384	1.7
74.90033	1.5
78.95919	4.4
96.96043	2.0
98.20663	3.0
102.63480	1.4
111.04503	2.0
148.27856	1.5
149.00098	7.2
164.31644	1.8
177.03389	2.6
205.16084	1.8
289.65707	1.8
290.41089	1.9
341.58618	1.8
342.91718	1.5
355.16855	20.4
356.17184	3.0
385.17728	13.5
445.19971	3.3
445.25232	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	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01749	0.3
59.01381	100.0
60.01717	1.4
69.53001	0.7
69.53413	1.6
71.01385	1.3
73.02971	1.1
74.23613	0.3
75.38152	0.3
85.02966	0.3
89.02464	0.7
95.88525	0.3
97.48086	0.3
98.19785	0.6
101.02451	1.1
110.63406	0.3
113.02478	1.1
148.50864	0.4
161.04601	0.5
167.65089	0.3
199.48087	0.3
207.09204	0.4
223.13455	1.0
241.14601	0.4
249.11467	0.4
251.11809	0.5
281.09464	0.4
300.18839	0.3
324.36154	0.4
344.23419	0.3
445.20737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1352
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
50.47201	0.3
59.01383	12.3
62.92392	0.2
64.49371	0.2
64.71149	0.2
66.91727	0.2
69.58026	1.5
71.01387	1.7
71.81381	0.2
73.02937	0.5
76.09399	0.2
83.01369	0.3
85.03001	0.5
87.00877	0.5
89.02465	1.1
92.86478	0.2
98.19893	0.4
99.00893	0.2
101.02468	0.7
108.02181	0.4
109.02962	3.3
110.58631	0.2
111.00925	0.3
111.40711	0.2
113.02488	0.5
121.02965	0.3
123.00896	0.9
124.01672	0.8
128.03546	0.4
133.02951	0.9
135.04509	0.5
139.04007	0.8
149.00960	0.5
150.03229	0.7
151.04007	100.0
152.04343	5.2
161.02429	2.5
161.04524	0.5
195.02946	0.2
205.08800	0.2
205.12341	0.8
209.11848	0.3
218.44278	0.2
223.13327	1.3
241.14384	0.7
249.11293	0.3
250.11569	0.3
274.84354	0.2
325.28806	0.3
343.28677	0.2
398.01776	0.3
445.13507	16.1
446.13760	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	445.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47201	0.3
59.01383	12.3
62.92392	0.2
64.49371	0.2
64.71149	0.2
66.91727	0.2
69.58026	1.5
71.01387	1.7
71.81381	0.2
73.02937	0.5
76.09399	0.2
83.01369	0.3
85.03001	0.5
87.00877	0.5
89.02465	1.1
92.86478	0.2
98.19893	0.4
99.00893	0.2
101.02468	0.7
108.02181	0.4
109.02962	3.3
110.58631	0.2
111.00925	0.3
111.40711	0.2
113.02488	0.5
121.02965	0.3
123.00896	0.9
124.01672	0.8
128.03546	0.4
133.02951	0.9
135.04509	0.5
139.04007	0.8
149.00960	0.5
150.03229	0.7
151.04007	100.0
152.04343	5.2
161.02429	2.5
161.04524	0.5
195.02946	0.2
205.08800	0.2
205.12341	0.8
209.11848	0.3
218.44278	0.2
223.13327	1.3
241.14384	0.7
249.11293	0.3
250.11569	0.3
274.84354	0.2
325.28806	0.3
343.28677	0.2
398.01776	0.3
445.13507	16.1
446.13760	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	445.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.0
57.79736	0.5
59.01380	14.5
60.01699	0.9
61.01808	0.8
61.98822	1.5
62.65335	0.6
68.99826	1.5
69.03440	2.1
71.01387	2.6
71.04993	0.8
72.99323	1.2
84.99308	7.1
85.02957	1.5
87.00874	7.5
89.02463	0.9
96.95998	0.7
97.56435	0.6
98.20657	1.3
101.02412	0.6
101.79345	0.6
103.00363	1.2
111.08140	1.1
112.98810	100.0
113.02424	1.7
113.99167	3.0
119.05020	1.0
121.02983	1.2
125.02438	1.4
127.07623	1.7
130.99846	2.1
131.05019	1.8
133.02951	1.3
133.06622	2.9
135.04527	1.2
137.06105	1.9
139.11296	2.3
145.06592	1.3
147.04523	57.3
148.04869	3.8
149.00917	0.8
155.07207	0.8
159.04546	0.9
161.06050	5.2
165.09297	0.6
171.04535	0.7
173.06035	0.9
174.06819	0.7
175.04041	0.9
175.07674	1.7
179.03458	1.4
181.06721	0.8
183.10269	12.0
189.05566	7.2
197.06122	0.7
197.11838	2.4
199.07707	0.7
209.11865	1.9
211.09258	0.8
215.07310	0.9
216.07874	1.0
217.05098	1.8
217.08670	1.5
225.11320	2.6
260.10574	1.0
301.27347	1.1
308.47565	0.6
313.23788	4.0
348.08636	1.8
422.82205	0.9
445.15155	1.4
445.25354	0.9
445.31055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01726	1.4
61.98824	0.9
70.18609	1.8
70.18988	0.9
80.00129	0.5
89.02506	0.7
91.03971	1.0
98.30466	0.5
111.08176	0.8
117.61899	0.6
148.04015	0.6
153.42140	0.6
159.14403	0.6
197.11897	2.7
207.10197	0.8
211.13461	0.7
291.19482	3.1
309.20743	6.7
310.21088	1.1
441.58627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01721	1.3
61.98837	0.9
68.66566	0.7
68.80949	0.7
71.61666	0.8
78.91918	1.6
89.02470	1.1
91.03999	5.7
103.00409	0.9
109.06638	1.8
111.08189	2.3
124.58597	0.7
133.69443	0.7
133.88387	0.7
136.01636	0.9
138.49825	0.6
161.04352	0.7
163.11348	1.2
174.13441	0.7
197.11800	8.3
207.10327	2.9
211.13525	0.9
291.19702	4.4
309.20718	13.5
310.21191	1.6
311.11804	0.8
432.49072	0.7
438.62527	0.8
444.32794	1.1
453.20673	0.7
469.60965	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07376	1.1
59.01380	100.0
60.01733	1.5
61.98819	2.3
69.68507	2.3
69.68916	6.9
85.55908	1.2
127.07318	1.5
134.03754	3.1
209.11880	1.7
226.07077	1.4
291.19693	5.5
309.20657	4.4
311.11099	1.6
415.45728	1.5
431.55240	1.3
432.14703	1.4
443.27637	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47989	0.4
59.01378	100.0
60.01709	1.1
61.98841	0.7
63.80305	0.4
69.44350	0.4
73.42699	0.4
83.79175	0.4
93.47672	0.4
98.19832	0.8
129.91557	0.4
144.26901	0.4
266.54315	0.5
291.19733	1.9
309.20746	3.5
321.06741	0.4
443.27295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01708	0.8
61.98822	1.5
71.01389	3.9
71.23325	0.3
72.99334	0.3
73.02963	0.6
83.01406	0.8
85.02960	2.0
87.00909	1.1
89.02442	2.4
101.02468	2.4
103.00391	0.5
112.98797	0.5
113.02460	2.5
119.03526	0.8
134.03751	0.9
135.04533	0.7
161.02496	0.4
161.04584	0.5
179.03560	0.3
179.05699	0.5
181.08910	0.3
199.09848	0.5
207.10287	0.3
223.73358	0.3
311.22260	0.5
312.22919	0.3
327.21967	0.4
339.72086	0.3
365.43845	0.3
401.25674	1.4
418.79144	0.3
443.30408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3528
Annotation	Topsentisterol A2
Peak:m/z	Relative Intensity
50.64824	0.6
59.01368	1.8
61.98819	0.8
78.36639	0.6
98.95589	0.8
179.33163	0.6
179.64919	0.7
187.31053	0.6
220.62030	0.7
279.08704	0.7
307.30072	9.5
308.30405	1.2
325.39523	0.8
345.33325	0.7
351.29031	4.4
351.33270	0.7
352.29611	1.0
369.30038	10.8
370.30624	1.5
443.35300	100.0
444.35645	20.6
456.31293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17078	3.1
57.86454	3.2
59.01381	100.0
61.31221	3.0
61.98829	80.7
70.58833	11.4
70.59180	3.1
78.07435	3.3
87.00866	4.5
88.34286	3.5
91.04026	7.4
96.96020	10.2
109.06604	3.9
121.02961	5.6
208.10664	4.9
311.22342	26.6
357.09924	3.5
441.60107	3.9
445.25415	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	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86250	0.5
55.01872	2.7
57.03459	1.3
58.00583	1.8
59.01380	41.0
63.76442	0.5
69.50171	0.7
69.50391	1.1
69.50798	2.8
71.01384	25.4
72.99295	1.5
73.02959	4.2
75.00858	0.6
83.01404	3.4
83.05011	0.9
85.02946	8.4
87.00880	2.6
89.02446	16.5
95.01385	2.6
97.02947	0.6
99.00862	1.6
101.01772	1.2
101.02444	20.2
109.05766	0.5
111.04485	1.2
113.02449	10.0
114.02797	0.6
119.03499	6.2
122.18585	0.5
123.08215	0.8
134.60385	0.5
139.40172	0.5
149.00871	1.3
161.04529	1.6
171.11734	0.8
176.04779	1.2
176.84485	0.6
177.09123	0.9
178.64841	0.6
179.05656	0.7
189.12857	1.5
205.08620	1.5
219.13794	0.8
220.01955	1.5
231.10222	1.8
233.08188	1.2
235.04269	0.8
237.14862	1.6
249.11325	3.0
267.12314	1.2
293.10309	1.3
311.11319	1.4
354.49973	0.6
381.11533	0.5
443.19205	100.0
444.10379	0.6
444.19559	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	443.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15372	0.7
53.17676	0.8
53.68701	0.8
55.82395	0.6
71.09834	1.7
76.17951	0.8
106.36430	0.9
126.10166	0.8
154.34129	0.7
159.08444	4.9
161.06419	1.3
277.07449	2.8
316.46124	0.8
330.24869	0.7
345.13687	1.6
357.13885	1.2
359.15338	100.0
360.15536	18.3
377.16492	1.3
425.19925	1.0
427.21606	47.8
428.21777	10.7
430.18469	0.9
443.24805	8.2
444.25150	1.9
466.79861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60555	0.7
59.01382	100.0
60.01730	1.3
61.98838	1.9
63.40671	0.7
71.01378	0.8
72.99313	0.8
80.59441	0.7
84.68980	0.7
87.00884	1.7
89.69302	0.8
91.04012	5.6
96.96025	1.0
97.02962	0.9
98.20672	2.7
99.92589	1.5
109.06612	2.2
112.98874	0.9
115.92116	1.3
116.92892	1.2
121.02977	1.8
134.03735	2.0
163.11253	0.8
171.10326	1.1
177.09346	0.8
181.82588	0.7
195.13902	1.2
207.10268	1.6
291.19781	3.8
309.20712	18.7
309.24097	1.2
310.21188	2.0
318.45779	0.8
443.23679	0.9
443.28842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	0.9
59.01381	16.2
61.98814	1.4
64.92386	0.5
66.34945	0.5
69.31000	5.4
70.64870	0.4
71.01384	5.3
72.99301	0.7
73.02947	1.4
75.06279	0.5
77.49927	0.5
85.02959	1.0
87.00879	6.0
89.02441	3.5
97.06586	1.3
100.36717	0.6
101.02444	2.2
103.00375	0.9
112.98800	1.2
113.02443	1.5
117.03468	26.1
118.03797	1.5
119.03502	0.9
119.04225	0.9
119.05028	12.7
120.05263	0.6
130.99760	0.5
134.03743	25.7
135.04588	3.6
135.06638	1.3
136.01659	10.0
137.02432	2.1
145.02953	100.0
146.03304	5.0
149.00943	5.8
161.02466	1.4
161.06099	1.5
163.04005	20.0
164.04359	1.0
176.04764	3.4
177.09212	5.1
182.41685	0.6
187.07610	1.2
190.06404	1.0
205.05095	2.3
205.08682	6.6
206.09007	0.7
231.10229	8.8
233.08185	2.1
249.11311	9.4
250.11572	1.1
265.07123	1.1
267.12396	5.9
293.10281	2.8
307.08435	0.6
311.11374	18.2
312.11652	1.2
423.76868	0.5
427.13959	0.5
443.15637	42.5
444.16153	5.1
452.97842	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01883	3.0
56.48941	0.6
57.03434	1.3
58.00585	2.1
59.01381	42.7
69.43359	2.9
69.43777	1.3
71.01382	29.3
72.99300	2.0
73.02950	4.0
78.86671	0.5
83.01377	3.2
85.02952	10.7
86.00118	0.5
87.00874	1.9
89.02445	19.3
95.01379	2.1
97.02938	0.5
99.00890	1.1
101.02444	21.1
102.02805	0.6
106.60297	0.6
111.04517	1.1
113.02448	10.6
114.02767	0.7
119.03498	7.8
121.06562	0.6
123.08117	0.8
158.94615	0.5
161.04518	1.8
171.11760	1.0
176.04784	0.7
179.05685	0.6
189.12819	1.8
205.08765	1.5
219.13756	0.6
220.69527	0.5
231.10355	1.0
237.14816	1.1
249.11259	1.5
267.12363	0.8
311.11398	1.1
336.53436	0.6
402.64438	0.6
434.06802	0.6
443.19220	100.0
444.13452	0.9
444.19553	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	443.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20881	0.4
59.01376	17.5
59.01674	0.9
61.98830	0.9
68.16559	0.4
71.01380	5.3
71.53561	0.7
72.99298	1.2
73.02932	1.3
83.01402	0.5
85.02950	1.3
87.00870	6.4
89.02439	3.0
97.06589	0.7
101.02454	2.3
103.00336	0.9
103.04018	0.6
108.02125	0.7
112.98816	1.0
113.02445	1.7
117.03465	26.5
118.03787	1.4
119.03473	0.7
119.05017	12.5
120.55511	0.4
121.02964	1.1
130.99950	0.4
133.02937	0.6
133.06570	0.6
134.03738	24.6
135.04575	5.0
135.06624	1.4
136.01649	10.2
137.02477	2.6
145.02948	100.0
146.03276	4.8
149.00912	5.7
156.09714	0.5
161.02501	0.8
161.06059	1.5
163.04004	20.2
163.05388	1.0
164.04404	1.1
176.04825	2.9
177.05582	1.0
177.09189	5.3
179.05594	0.5
187.07605	1.4
190.06308	0.6
205.05045	2.4
205.08705	6.5
231.10246	7.6
232.10527	0.7
233.08211	1.5
235.06000	1.5
247.06047	0.5
249.11322	9.7
250.11609	0.6
250.86424	0.5
265.07202	1.3
267.12335	5.6
268.12473	0.6
293.10327	2.5
307.08429	0.6
311.11349	15.4
312.11670	1.3
443.15640	40.2
444.16034	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	443.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40081	0.5
52.26047	0.4
54.17632	0.4
56.39093	0.4
57.03450	0.6
59.01091	0.9
59.01381	15.7
59.81984	0.5
59.99052	0.5
65.03960	0.6
69.26765	3.9
71.01366	2.2
72.99303	1.6
73.02940	0.7
82.61005	0.4
85.02961	0.8
86.88231	0.4
87.00874	9.8
89.02482	0.9
93.03436	2.4
94.03689	0.5
101.02460	1.6
103.00366	0.8
105.01921	1.1
109.02962	1.3
112.98862	0.7
113.02441	0.8
117.03488	0.8
119.05029	8.4
120.05434	0.6
121.02954	1.3
133.02919	1.3
134.03743	3.7
135.04510	3.6
136.04842	0.8
137.02338	0.7
137.85725	0.4
142.56934	0.5
143.05031	0.6
145.02939	1.0
145.06570	1.2
146.60083	0.5
147.04550	2.3
149.00891	2.2
151.03947	0.7
153.01907	0.6
157.06578	1.0
161.02449	2.7
163.04001	3.7
179.03453	1.7
187.07628	1.8
190.85870	0.5
193.04988	1.3
193.06602	0.7
195.06561	0.6
197.95380	0.5
202.06308	0.9
207.08080	1.0
212.36182	0.5
219.08115	0.9
221.09738	9.6
222.10202	0.8
223.11269	5.9
231.10242	3.0
237.09132	1.0
267.10242	21.7
268.10684	2.3
293.03091	0.5
311.09222	100.0
312.09598	11.6
313.92676	0.5
443.19348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	29.0
61.87699	0.8
67.33801	0.9
69.68085	1.4
69.68495	3.4
71.01393	1.9
72.99318	4.4
87.00875	11.5
97.06601	2.7
103.00373	3.3
107.05020	1.5
108.02195	2.1
109.02955	29.9
110.03285	1.2
112.98830	2.1
119.04976	1.0
121.02948	2.2
123.04496	1.0
130.99881	1.8
133.02959	1.3
134.03740	100.0
135.04573	19.3
136.01671	21.6
136.04915	1.0
137.02464	9.2
149.00900	22.1
150.01335	1.1
151.04007	14.6
160.01633	7.4
160.08664	0.9
175.04021	6.9
185.43774	0.9
187.07605	1.4
193.05003	2.3
195.02975	6.4
196.40532	0.9
205.08551	1.0
231.10236	25.8
232.10547	3.1
233.08113	3.0
269.10184	1.0
281.10294	1.4
293.10312	14.0
294.10535	1.2
311.11353	56.8
312.11612	7.5
350.77063	0.9
401.14404	1.7
443.15991	6.3
444.16022	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01716	1.0
66.73176	0.3
70.12123	0.4
71.01391	1.7
73.02943	0.9
83.01404	0.4
87.00887	1.3
89.02464	0.7
97.25648	0.4
99.60872	0.4
101.02454	1.2
103.00388	1.1
112.98822	1.2
113.02473	0.5
119.05093	0.8
121.19839	0.4
130.99881	0.6
134.03731	0.5
135.04559	1.7
145.02939	0.5
147.04567	0.4
149.00937	0.9
161.02483	0.7
163.04066	0.7
179.03548	0.8
180.98714	0.3
237.15103	0.4
254.09032	0.5
309.20844	1.6
441.14929	1.1
441.21875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40974	0.7
67.55659	0.7
69.30257	2.8
69.30679	4.1
69.76128	0.7
91.55276	0.8
96.96030	2.1
146.59755	0.7
263.61411	0.8
267.07822	0.8
375.93951	0.7
421.06885	0.8
423.36639	1.3
424.37143	0.8
441.25076	2.2
441.37720	100.0
442.38049	19.3
442.43735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3738
Annotation	Cerin
Peak:m/z	Relative Intensity
57.55118	0.3
63.96142	0.3
98.19794	0.4
99.85890	0.3
331.36307	0.3
359.95776	0.3
441.37369	100.0
442.37720	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	443.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85623	0.4
53.79093	0.4
58.00631	0.4
59.01379	24.1
63.05960	0.4
65.03957	1.2
66.12650	0.6
69.32388	4.1
71.01397	2.5
72.99308	1.2
73.02934	0.8
83.01374	0.4
85.02959	0.6
87.00881	9.5
89.02434	1.1
93.03468	2.9
99.67504	0.5
101.02439	1.0
103.00367	0.7
107.05038	0.7
108.02204	0.6
108.37476	0.4
109.02953	0.9
109.06585	0.6
112.98772	0.8
113.02430	0.6
119.05029	10.4
120.05384	0.7
121.02930	1.2
131.05045	0.5
133.02950	0.5
134.03737	1.8
135.04500	1.9
137.02432	0.7
143.04927	0.6
145.02922	0.7
145.06610	1.0
147.04510	2.5
149.00931	6.3
161.02502	0.7
163.04008	4.3
179.03540	0.8
193.06529	1.1
198.54784	0.4
206.07504	0.6
207.08127	1.0
209.41919	0.4
219.08093	1.0
220.08803	0.5
221.09726	8.6
222.10132	1.5
223.11299	5.2
224.11501	0.5
231.10223	0.8
237.09201	1.1
249.09172	0.8
267.10248	21.9
268.10638	2.1
311.09247	100.0
312.09607	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	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01719	1.2
60.10081	0.5
65.82535	0.5
66.31097	0.5
71.21057	0.4
71.39021	1.0
80.95505	0.5
87.00846	0.5
132.58894	0.5
164.62740	0.5
171.10358	0.6
245.19069	0.7
289.18121	3.0
307.19177	3.0
401.43893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26114	0.5
54.00959	0.5
54.54130	0.6
59.01382	100.0
60.01701	0.7
61.98817	1.0
63.89333	0.5
71.62298	0.7
78.95871	0.6
79.09758	0.6
87.00909	0.5
88.72566	0.5
96.83898	0.6
96.95998	1.1
113.01069	0.6
119.05011	0.8
289.15143	0.6
289.17975	2.9
300.84470	0.7
307.19147	3.2
321.06091	0.5
356.17355	0.8
441.26184	0.9
441.37756	1.6
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
52.57976	0.7
58.00580	1.1
59.01379	100.0
60.01713	0.9
70.99875	1.7
71.01379	18.7
72.99327	1.1
73.02950	10.9
73.03345	1.1
81.74763	0.6
83.01400	3.3
85.02967	4.3
87.00891	1.0
87.04537	0.7
89.02447	13.9
99.00906	1.4
101.02444	15.4
101.06097	1.0
102.02767	0.9
104.56687	0.7
113.02450	7.0
119.03503	5.2
131.03494	0.7
143.03531	2.0
161.04591	2.6
179.05656	2.8
226.83008	0.7
263.14053	0.7
372.26343	0.8
399.23904	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48400	0.3
56.64086	0.3
57.03444	0.3
59.01381	100.0
60.01717	1.5
60.45673	0.3
69.43944	2.6
71.01378	3.6
73.02953	1.5
83.01378	0.4
85.02966	1.4
87.00905	0.9
89.02455	1.2
98.19910	0.7
101.02438	2.7
103.00407	0.8
109.44300	0.4
112.98807	0.9
113.02465	1.4
119.03490	0.5
119.05029	0.7
134.03761	0.5
135.04541	1.6
145.02943	0.3
149.00894	0.7
159.92714	0.3
161.02449	0.4
161.04518	0.6
163.04057	0.7
170.54021	0.3
179.03526	1.2
203.03369	0.5
270.11282	0.3
350.83298	0.4
415.77322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04481	0.2
59.01380	100.0
60.01717	1.7
60.99330	0.3
69.34763	0.6
69.35173	1.7
70.18880	0.3
71.01383	1.9
72.99296	0.5
73.02956	0.8
83.01380	0.4
84.99310	0.3
85.02972	1.0
87.00873	0.7
89.02448	0.3
90.75626	0.2
93.03497	0.3
98.19958	0.5
99.00873	0.3
101.02457	1.2
103.00404	0.5
112.98817	3.4
113.02470	0.7
119.05028	4.3
119.05802	0.4
120.05367	0.4
127.00304	0.3
130.99884	0.3
135.04544	0.8
145.02989	1.1
145.06569	0.3
147.04488	0.6
149.00992	0.6
161.04549	0.6
161.06046	0.3
163.04018	4.4
164.04396	0.4
175.04068	0.5
176.17557	0.3
176.19098	0.3
177.01964	0.3
179.03499	0.5
203.03516	1.4
215.03450	0.3
277.03540	1.6
327.08850	0.4
338.68741	0.3
358.33987	0.3
385.47836	0.3
399.24005	0.9
413.13940	0.3
427.07346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23412	1.2
54.04375	1.4
59.01382	46.1
67.35025	1.3
68.99825	5.7
69.70033	6.9
71.01379	3.9
72.99318	12.9
73.02972	1.9
74.14132	1.2
75.11460	1.2
80.57522	1.3
80.59756	1.3
82.70779	1.1
84.99379	1.6
85.02953	1.8
87.00868	21.4
93.03485	2.2
101.02434	2.4
103.00372	8.4
111.00873	2.0
112.98804	15.3
117.03463	10.5
119.05032	100.0
120.05355	6.6
121.02962	6.3
127.00351	6.6
129.03468	3.2
130.99876	5.9
133.02966	3.2
133.06535	1.5
135.04529	1.9
140.39566	1.3
143.05009	7.3
145.02950	57.9
146.03290	2.9
147.04521	30.0
148.04852	1.5
149.00891	8.1
154.99899	1.8
161.06090	5.5
163.04010	75.9
164.04375	5.9
171.04539	1.8
175.03996	23.5
176.04341	1.7
189.05484	4.5
203.03505	89.0
204.03864	4.3
205.05095	2.3
211.07663	2.3
215.03477	15.8
233.04492	3.0
251.11293	2.1
259.02441	12.5
277.03543	64.0
278.03802	4.9
293.12659	1.5
295.04504	8.0
300.76794	1.4
309.07874	1.7
311.10257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	43.6
68.12671	1.6
68.99852	2.0
69.29654	2.9
69.30060	16.3
84.81263	1.8
84.99328	5.4
87.00869	14.7
103.00381	11.9
109.02966	9.0
112.98822	26.0
127.00394	5.4
130.42110	1.6
130.99867	10.3
132.07088	1.8
133.02980	9.5
134.03752	8.2
135.04523	100.0
136.04858	5.3
137.02431	6.4
139.00366	4.2
141.92329	1.8
147.04506	7.6
155.40508	1.7
159.04506	2.2
161.02438	22.6
161.06105	2.0
163.04010	13.6
171.73167	1.7
173.62083	1.8
175.76692	1.8
179.03502	79.3
180.03844	3.3
181.50511	1.8
181.67549	1.8
187.03935	2.3
191.03568	10.0
205.05026	2.4
219.02986	35.1
220.03363	3.2
231.02997	5.4
257.56802	1.9
275.02121	4.7
279.05096	6.6
293.03049	23.0
309.20703	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	441.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.2
59.01381	100.0
60.01704	1.7
66.96689	0.9
71.01376	0.9
71.31790	1.5
72.99316	2.7
82.58297	0.7
84.43784	0.8
87.00380	1.4
87.00871	15.2
90.35102	0.7
93.03419	1.2
99.00869	1.0
101.02464	1.3
103.00375	24.8
104.00715	0.9
109.02929	2.0
111.00854	1.1
112.98797	8.0
119.05031	1.4
127.00387	2.5
130.99867	17.5
133.02940	2.7
134.03755	2.0
135.04529	31.3
136.04843	1.4
137.02449	2.7
139.00377	1.8
139.06252	0.8
142.61884	0.8
145.02927	1.9
147.04532	12.4
149.00842	1.0
159.04446	0.8
161.02469	6.7
163.03990	5.6
167.06102	3.7
177.05669	1.3
179.03502	19.8
191.03506	3.3
203.03447	0.9
209.07138	2.4
219.02992	14.1
220.03203	0.9
231.02998	2.4
275.01926	1.3
279.02225	1.2
279.05115	15.6
280.05377	2.0
283.73459	0.8
293.03046	13.5
309.20712	8.3
310.15482	2.2
310.21136	1.3
320.14017	3.3
382.14188	9.3
441.22202	1.1
441.28781	1.3
462.85202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3581
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.44675	0.2
62.95009	0.2
71.01398	0.3
91.33812	0.2
115.74348	0.2
201.13986	0.3
375.65176	0.3
439.35785	100.0
440.36130	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	439.358
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
51.05783	0.3
70.17764	0.5
70.18117	1.2
76.97210	0.3
90.14056	0.3
97.96226	0.3
109.80383	0.4
118.47385	0.3
127.12617	0.3
130.59830	0.3
342.69101	0.4
358.17978	0.3
395.77753	0.3
405.31729	0.8
421.34753	2.3
439.35788	100.0
440.36142	21.4
449.07791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	80.4
60.01713	1.3
65.00342	1.8
68.99810	6.9
69.38374	4.0
69.38784	5.6
71.01371	4.4
72.99306	15.0
73.02927	3.3
83.01397	1.8
84.99314	4.4
87.00878	16.7
89.02457	2.4
93.03470	2.8
98.72259	1.0
101.02429	3.4
101.59995	1.2
103.00375	1.9
104.35328	1.3
111.00929	1.8
112.15112	1.1
112.98049	2.6
112.98807	32.3
113.02385	1.6
113.99139	1.3
116.81351	1.2
117.03461	13.8
119.05027	82.8
120.05390	3.9
121.02970	5.4
123.04504	1.9
127.00410	7.2
129.03471	4.1
133.02942	3.1
133.06525	1.5
134.03745	2.3
135.04521	3.1
143.05043	6.9
145.02951	58.4
146.03310	2.1
147.04526	28.4
148.04845	2.8
149.00836	1.9
154.99828	1.9
161.06082	5.1
163.04008	30.0
164.04277	1.8
171.04538	3.3
175.04002	27.3
176.04416	1.5
189.05583	4.0
203.03500	100.0
204.03799	7.3
205.05042	3.8
211.07637	1.9
215.03484	19.3
216.03914	1.5
233.04570	3.5
259.02414	12.0
277.03522	80.6
278.03879	7.8
441.21414	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	439.2485
Annotation	Scopadulin
Peak:m/z	Relative Intensity
59.01377	1.3
73.88919	0.3
75.43059	0.3
85.02975	0.4
98.20663	0.8
104.90057	0.4
111.08141	0.4
121.02957	100.0
122.03281	4.7
123.45226	0.3
161.06218	0.3
185.02185	0.4
229.93939	0.4
249.14961	8.5
250.15280	0.8
252.85913	0.3
271.22757	2.2
272.23087	0.5
317.21216	2.4
318.21686	0.4
343.03271	0.3
345.36212	0.4
347.26102	0.6
439.24881	15.7
439.34521	0.9
440.25204	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	439.2491
Annotation	Scopadulin
Peak:m/z	Relative Intensity
61.98830	3.9
69.40898	6.9
69.41306	18.6
71.92725	2.7
98.20581	5.9
121.02962	100.0
122.03330	5.2
236.76071	2.5
249.14905	14.5
282.59201	2.8
293.54449	2.8
439.24750	17.0
440.25052	3.1
462.92844	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	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19587	1.3
59.01378	9.7
61.98819	2.3
63.68684	1.3
70.75974	1.3
71.01390	6.9
71.10636	2.7
72.78735	1.3
73.02944	3.2
77.62676	1.2
85.02947	3.2
89.02466	1.9
91.97215	1.3
101.02437	2.6
108.40611	1.3
113.02438	5.0
113.06113	6.5
121.02953	100.0
122.03297	3.5
137.06087	2.8
139.84738	1.3
153.13759	1.4
211.53931	1.2
213.97964	1.3
271.22827	5.2
277.21741	22.5
278.22061	2.2
291.23346	5.6
317.21228	13.7
319.22757	2.8
331.22787	3.5
439.24887	1.9
439.34277	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	439.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	26.1
61.17689	3.6
61.98819	7.1
69.57445	27.8
71.01389	26.0
72.99316	4.3
73.02938	6.5
75.00857	4.1
83.01374	6.0
85.02919	8.5
87.00871	10.0
89.02431	9.3
91.58942	3.5
96.96027	6.1
96.96965	5.9
99.00877	5.6
101.02422	19.1
111.00871	6.0
113.02444	9.6
121.02951	4.9
122.03751	6.0
123.04510	4.9
137.02440	6.1
149.00926	18.0
149.02415	14.6
150.03238	54.2
159.04510	6.0
161.02379	6.1
161.04514	9.6
164.04781	5.0
165.01933	33.3
165.05579	57.1
175.95233	4.0
178.36554	3.6
180.04248	26.8
187.07599	13.0
195.06622	100.0
202.06378	4.2
231.10248	15.7
243.08731	6.3
263.09354	4.0
275.09167	27.6
278.10342	5.0
307.11737	6.0
331.11871	7.8
379.16061	24.5
391.14038	16.6
397.17285	7.3
439.12457	3.6
439.17770	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	439.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87467	0.5
52.69225	0.5
57.03450	1.0
59.01381	100.0
60.01739	1.0
61.98831	18.6
67.46024	0.6
68.78893	0.5
69.59072	0.8
69.59474	2.7
71.01041	0.6
71.01383	3.1
72.99311	2.0
73.02943	2.0
83.01389	0.9
83.05034	0.7
85.02966	1.8
87.00887	2.5
89.02460	1.5
93.03464	3.9
96.96024	1.3
96.99311	1.0
97.06595	1.1
101.02441	3.2
103.00381	1.2
108.02206	1.2
109.02950	1.8
112.98831	1.3
113.02429	1.2
117.03535	0.6
119.03553	0.6
119.05025	7.9
121.02981	1.5
123.08164	0.9
133.02979	2.8
134.03746	4.9
135.04558	4.3
137.02434	1.3
143.05020	1.3
145.02965	2.4
147.04539	1.9
149.00890	1.7
150.03343	0.8
150.43042	0.6
158.03717	0.6
159.04546	1.1
160.66927	0.6
161.02455	1.2
162.03163	0.8
163.04028	5.6
164.07198	0.7
175.07642	0.8
177.01903	1.0
178.02681	4.7
179.03474	1.1
187.07486	0.6
207.08260	0.6
226.06474	1.0
231.10355	1.1
235.13422	0.7
237.09218	0.8
251.07149	2.6
252.07860	0.9
253.08679	8.0
254.09355	2.2
263.07062	1.0
275.09265	1.2
279.06595	2.2
376.20508	1.6
377.13892	0.6
395.14938	1.0
397.22256	0.8
400.30453	0.7
421.13031	1.1
439.13977	19.7
439.20029	1.2
439.26422	0.7
440.14331	3.1
446.18961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01382	10.1
61.98823	0.9
63.21756	1.0
64.82137	0.8
69.25458	6.6
69.25873	2.0
71.01375	3.4
72.99309	1.4
73.02958	0.9
74.92439	0.8
75.00873	0.9
85.02961	1.6
87.00873	4.0
89.02438	2.3
93.03449	2.1
96.96017	1.8
96.96986	1.2
101.02448	2.6
103.00407	1.6
109.02997	1.1
113.02451	2.3
119.03475	1.0
119.05013	1.7
121.02970	3.7
122.03757	6.2
123.04548	1.6
129.36247	0.8
133.02946	2.3
135.04523	2.3
137.02472	4.9
145.02943	1.0
148.79628	0.8
149.00934	6.6
149.02444	20.0
150.03232	50.7
151.03647	3.3
158.03790	0.8
159.04514	2.0
161.02425	2.5
161.04695	2.0
161.78069	0.8
163.32503	0.9
164.04790	5.5
165.01938	30.4
165.05565	55.8
166.02321	1.1
166.05945	3.2
173.06119	1.2
174.03232	0.8
179.05630	2.0
180.04297	24.7
181.04898	2.0
187.07658	3.7
195.06627	100.0
196.06993	5.8
202.06381	2.9
213.09242	1.9
231.10291	6.4
243.08742	2.8
245.08244	1.4
275.09277	6.2
278.10281	1.9
301.07129	2.9
307.08368	0.9
307.11896	2.0
316.09592	1.7
331.11807	9.2
332.12137	1.3
379.16095	3.7
384.68103	1.1
386.80737	1.0
391.13974	14.5
392.14230	1.9
439.16782	3.5
453.84488	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87528	0.5
53.36537	0.5
56.35250	0.5
58.00599	3.3
59.01379	100.0
60.01713	1.8
64.56599	0.5
64.88710	0.5
70.17924	2.3
71.01399	2.2
72.99303	5.2
73.02954	1.6
87.00877	32.6
89.02528	0.5
93.03430	1.2
94.15662	0.7
97.06592	1.1
101.02451	1.3
103.00372	47.8
106.38403	0.5
112.98833	2.2
113.02452	0.9
119.05027	3.0
121.02985	1.4
130.41084	0.5
130.99861	20.4
133.02956	4.2
134.03748	14.5
134.04703	1.0
135.04518	2.3
137.02477	2.3
139.04033	0.9
143.05074	0.7
147.04594	0.8
148.56902	0.6
149.00960	0.7
161.02443	0.8
162.03281	1.0
163.04030	1.8
174.57950	0.5
177.01921	4.6
178.02708	17.9
179.03378	2.3
231.10330	1.9
251.07219	1.3
253.08743	3.3
254.09184	0.7
275.09241	5.7
279.06738	1.7
284.86563	0.6
307.11896	2.3
346.98093	0.6
395.14865	0.6
439.14084	10.1
439.20691	3.1
440.14285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.5
59.01386	19.4
67.64942	0.9
69.34554	4.2
69.34982	4.5
72.99323	1.1
82.56163	1.3
85.55203	1.0
87.00876	19.2
87.01418	1.2
96.36490	0.9
96.96013	3.4
97.06588	5.9
103.00378	9.8
105.03420	1.2
112.98807	19.8
119.05051	1.1
125.22458	0.9
130.99847	3.1
133.02979	4.7
134.03743	100.0
135.03072	1.0
135.04456	12.0
136.16492	1.1
137.02429	2.2
149.00897	2.4
177.01947	6.7
178.02725	21.8
179.03394	3.4
225.74263	1.0
231.10248	5.3
275.09280	13.2
276.09695	1.7
297.96793	0.9
307.11859	81.2
308.12158	6.5
425.79645	1.1
434.94623	1.0
439.12003	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33395	1.0
58.00592	3.0
59.01380	100.0
60.01702	1.9
72.91798	1.4
72.99309	4.6
80.03387	1.1
84.92861	1.3
87.00877	35.2
92.77346	1.0
96.96040	1.8
97.06595	3.1
103.00377	49.7
106.60981	1.2
112.98805	9.0
121.02855	1.2
122.10054	1.2
130.99867	22.0
133.02937	6.7
134.03741	45.9
135.04414	4.2
137.02458	5.6
139.04008	1.9
177.01915	11.1
178.02708	38.9
179.03395	3.3
231.10248	3.3
246.67029	1.4
275.09250	20.1
276.09686	1.8
307.11813	16.3
308.12112	1.8
439.13638	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	439.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68943	0.8
59.01378	8.5
65.96923	0.7
69.55776	1.8
69.56180	2.8
71.01384	1.4
72.98602	0.6
72.99304	1.1
79.95737	61.3
80.96534	0.9
84.95376	0.6
87.00862	7.5
95.95230	15.8
96.96011	100.0
97.06585	1.7
98.20596	0.9
103.00378	4.9
108.02205	1.1
110.97588	6.0
112.98807	8.6
119.05008	2.4
123.04473	0.8
130.99854	1.2
133.02971	1.5
134.03743	37.5
135.04480	6.2
137.02434	2.9
141.95750	1.6
147.04526	0.7
149.00911	2.3
149.02184	0.6
149.99905	1.7
150.03249	1.4
160.01785	0.7
160.05196	0.9
161.02390	1.1
163.04028	2.3
164.04762	0.7
175.04034	1.1
175.07686	1.1
177.01944	2.0
177.05466	0.9
178.02690	8.2
179.03459	1.1
193.05069	0.8
231.10207	2.2
253.08524	0.8
259.02829	2.1
275.09229	5.6
307.11862	31.8
308.12167	3.0
315.38821	0.9
329.13712	0.8
372.56339	0.7
424.08276	2.7
439.10641	89.3
440.10974	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52719	0.8
58.00588	3.4
59.01379	100.0
60.01697	0.8
61.98840	1.1
66.35594	0.8
70.34663	2.4
71.01384	2.4
72.99317	5.9
73.02936	1.2
83.05029	1.7
87.00877	30.2
88.01215	0.9
93.03458	4.8
96.00941	2.3
96.95995	1.4
97.06596	1.2
101.02443	1.7
103.00374	39.3
104.00721	1.6
108.02208	1.5
109.02962	1.8
112.98792	2.7
117.03473	1.2
119.05024	10.7
121.02951	2.8
130.08733	1.3
130.99857	17.9
133.02934	4.5
134.03749	18.6
135.04546	8.0
137.02451	2.7
143.04971	2.0
145.02986	1.7
147.04550	1.8
149.00899	2.1
159.04503	2.8
161.02434	1.1
162.03186	2.0
163.03996	6.2
177.01942	5.2
178.02693	16.2
179.03413	4.7
203.12775	1.0
223.07497	1.1
231.10287	2.4
233.06059	1.1
237.09119	1.1
241.09793	1.0
247.09912	0.9
251.07251	1.7
253.08640	8.9
254.09344	1.6
267.09985	2.8
275.09225	6.9
279.06635	3.1
307.11795	2.4
395.15060	1.4
439.13992	27.3
439.20673	3.3
440.14444	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	439.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.7
59.01379	17.8
70.36628	0.4
71.01396	0.9
71.35957	0.4
71.70328	0.4
72.99315	1.8
79.95739	10.3
79.96179	0.5
84.99326	1.5
85.02971	0.5
87.00877	17.2
89.02453	0.5
95.95238	3.2
96.96010	19.5
97.06590	6.7
101.02460	0.6
103.00370	9.5
105.03500	0.7
106.04224	0.5
109.02918	0.5
110.97585	0.9
111.51543	0.5
112.98811	19.9
119.05060	2.3
121.02953	1.1
130.99881	1.9
132.02133	0.5
133.02950	3.8
134.03741	100.0
135.04581	16.4
136.04890	0.7
137.02444	2.0
139.04102	0.6
141.95851	0.5
149.00879	1.5
150.03281	0.5
160.01682	2.3
161.02397	0.9
162.03061	0.4
163.04001	1.4
165.05579	0.7
175.04004	2.5
177.01913	4.4
178.02708	17.2
179.03470	4.7
180.03802	0.5
187.07567	0.6
193.05060	1.2
213.09097	0.4
219.02985	0.4
231.10280	3.7
253.08864	0.6
275.09241	11.1
276.09546	0.9
299.78085	0.4
307.11865	76.1
308.12256	8.6
439.10541	18.8
439.26291	0.4
440.11063	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	438.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32299	0.6
59.01382	36.0
61.98833	100.0
71.01394	3.2
72.99306	1.4
73.02950	1.4
78.34504	0.7
78.95903	0.6
79.95708	0.6
85.02956	1.4
87.00884	2.4
88.09036	0.6
89.02456	1.4
93.03490	1.3
96.96021	2.4
96.99331	0.7
99.00915	0.8
101.02470	1.8
101.96241	0.6
104.54043	0.6
108.02148	0.7
109.02971	2.2
112.98829	2.2
113.02441	1.3
119.05038	5.1
133.02980	1.2
134.03732	2.9
135.04535	3.8
135.33850	0.6
136.04907	0.8
137.02467	1.2
145.02980	1.7
147.04523	0.9
149.00969	1.2
152.01202	0.8
159.04483	0.9
161.02492	1.2
163.03992	3.6
178.02640	1.8
179.03546	2.3
213.56723	0.7
216.23714	0.6
231.10286	0.8
251.07013	0.9
253.08653	4.2
254.09450	0.7
275.09262	1.3
279.06760	1.3
375.20270	6.9
376.20709	0.9
438.20602	1.4
439.13992	11.2
439.19928	1.1
439.31094	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91181	1.3
59.01381	100.0
61.98829	13.2
71.01386	9.0
72.99322	3.6
73.02944	5.0
74.21829	1.5
75.00865	1.5
78.95906	1.5
79.70239	1.6
79.95739	1.7
83.01374	1.6
84.99368	1.5
85.02941	3.8
87.00858	7.4
89.02446	3.6
93.03443	5.6
96.95998	16.4
96.99275	2.2
98.19813	3.1
98.62336	1.6
100.48254	1.6
101.02444	5.8
103.00349	4.7
106.14298	1.6
108.02154	1.6
109.02959	5.0
112.98788	8.4
113.02454	4.1
117.03461	2.6
118.06633	7.0
119.03536	1.7
119.05035	19.2
121.02944	4.2
123.06882	12.7
125.02441	2.9
130.99884	2.9
131.05042	2.1
132.02121	1.8
132.05737	2.5
133.02921	7.1
134.03804	12.1
135.04555	14.0
137.02423	4.7
143.05019	3.8
145.02943	5.4
146.06119	30.9
146.07272	1.3
147.04489	5.8
147.06543	2.1
149.00896	4.6
149.02457	1.7
149.06111	2.0
150.05531	1.6
158.03679	2.9
159.04491	3.3
160.01639	2.1
161.02400	3.6
161.04591	3.3
161.05966	2.6
162.03142	3.7
163.04047	8.4
175.07486	1.7
177.01918	3.8
178.02690	5.5
179.03455	6.0
179.05653	3.7
182.20770	1.5
196.84769	1.7
212.10796	3.0
226.06322	1.8
227.08316	16.6
227.12006	1.8
231.10297	3.4
232.10753	1.7
241.09827	21.9
242.10474	7.2
251.07065	5.8
253.08667	17.9
254.09525	2.4
255.11516	11.2
256.74603	1.6
269.12915	6.9
270.13721	9.2
275.09409	4.3
276.09555	6.3
279.06525	6.9
287.48837	1.7
293.03088	2.3
296.06448	1.6
299.77902	1.9
302.12680	10.3
303.13019	1.7
323.16211	2.2
351.15860	2.6
394.21295	16.9
420.19205	2.1
438.09634	6.4
438.20313	88.7
439.13916	50.7
439.20471	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	439.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97084	0.1
57.03457	0.2
59.01373	0.6
68.99827	0.2
69.40416	0.6
69.40842	0.6
71.01392	0.8
72.99309	0.4
78.95905	17.2
79.95743	2.2
80.47643	0.1
83.01398	0.2
85.02969	0.2
87.00889	0.3
87.92518	1.2
96.96024	100.0
96.96957	35.0
97.95940	0.5
98.20676	0.3
99.00898	0.4
103.92032	1.5
104.92822	0.3
105.93602	0.4
106.85390	0.1
110.02421	0.2
111.00912	0.5
112.98795	1.1
113.63927	0.2
115.00363	0.4
116.84254	0.1
117.02013	0.2
119.05060	0.3
119.83579	0.2
120.01257	1.1
123.94657	0.4
138.05562	0.2
142.05083	0.8
142.99873	0.4
145.01445	0.7
145.96732	0.4
149.00970	0.2
157.01390	0.2
161.96199	0.5
175.02469	0.2
187.07668	0.3
192.86969	0.2
194.08241	0.3
199.94077	0.9
231.10252	0.2
233.04836	0.2
235.89873	0.1
243.06401	0.1
244.06670	0.2
263.05823	0.7
275.09171	0.6
294.56427	0.2
307.11908	0.3
384.98090	0.2
395.50082	0.2
439.08438	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.9
60.21630	0.3
63.07730	0.4
63.27655	0.3
71.01368	1.3
71.59822	0.5
78.95908	47.1
79.95705	0.5
85.02949	0.6
85.35830	0.4
96.96040	19.2
96.96965	100.0
99.00850	0.6
111.00902	0.6
112.98824	1.4
113.91371	0.3
115.00361	1.0
129.01913	0.4
142.99867	1.0
145.01427	1.5
171.01039	0.5
174.29109	0.3
214.42950	0.4
263.05777	1.5
293.87408	0.3
341.10434	0.4
439.08212	3.6
440.10635	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20686	0.3
59.01373	0.5
65.36960	0.3
67.20315	0.3
71.01385	0.5
71.09622	0.6
72.99310	0.3
78.95903	50.1
79.95724	1.0
87.00876	0.4
87.92496	0.4
96.96010	41.7
96.96958	100.0
103.92021	0.5
110.68153	0.3
112.19392	0.3
112.98806	0.5
145.01427	0.6
149.00975	0.3
161.96136	0.4
249.70454	0.3
298.76242	0.3
329.56885	0.3
341.11267	0.5
341.98700	0.3
358.76276	0.3
439.07797	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80411	0.3
57.41893	0.4
59.01378	1.6
60.76183	0.4
61.98829	100.0
69.76183	1.9
71.01379	0.6
71.73655	0.4
74.97924	0.4
78.95908	2.1
81.72868	0.4
89.02494	0.4
96.96028	2.2
96.96952	4.0
149.00912	0.8
157.12602	0.5
236.00243	0.5
275.09140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20246	0.3
59.01387	1.7
61.44718	0.4
61.98833	100.0
64.87139	0.3
69.64333	2.1
71.01382	1.2
78.95894	2.2
85.02989	0.4
86.14744	0.3
87.00888	0.4
89.02451	0.6
96.96027	1.5
96.96382	0.4
96.96964	5.5
98.02486	0.5
99.00861	0.4
108.75471	0.4
111.00864	0.4
114.05619	0.5
119.05014	0.5
124.07001	0.4
133.06636	0.4
140.05844	0.3
142.05133	0.6
149.00972	0.6
189.70570	0.4
194.08124	0.6
275.09210	0.8
296.41284	0.3
438.09848	0.5
439.09097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63302	3.1
57.03459	6.3
59.01374	15.5
65.03958	5.9
67.32737	3.9
69.03458	7.6
71.01396	4.4
71.62159	3.8
82.78766	3.2
83.05035	13.0
86.76630	3.0
91.05518	4.5
93.03474	6.9
95.05000	11.2
96.96008	6.2
97.06572	7.8
102.96070	4.1
105.07113	8.3
106.04243	4.0
107.05053	4.1
107.08636	5.9
109.06597	9.9
119.05036	3.9
121.02944	4.9
123.08110	6.0
125.09720	32.1
127.11237	3.6
133.06564	4.5
135.08145	6.0
136.81505	3.5
149.09692	12.4
153.09210	3.9
159.04543	4.5
163.11261	13.6
171.10265	100.0
172.10512	4.5
185.11792	8.0
187.14931	16.3
188.15207	3.6
189.12872	11.5
197.11804	5.2
203.14445	21.9
207.10263	24.5
209.11848	18.5
211.13422	8.5
213.44852	3.2
219.13869	4.7
223.13219	3.7
225.11340	8.3
229.12373	4.8
229.14432	18.7
231.13896	45.6
232.14166	5.5
233.15443	4.3
237.14929	11.2
247.13390	14.8
249.14949	14.2
252.07939	4.3
263.12863	5.0
293.95023	3.5
329.24786	9.8
339.22964	7.1
355.22266	3.6
357.24313	11.6
373.23740	13.4
383.22281	13.6
391.24875	10.5
392.25064	5.3
401.23315	42.9
402.23630	9.5
409.25662	7.1
419.24185	15.4
437.25323	20.1
445.69583	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90552	0.2
59.01372	0.5
69.38474	1.6
79.95737	6.2
82.78846	0.2
87.59114	0.2
96.96010	100.0
98.19872	0.3
108.77553	0.2
110.92003	0.2
110.97566	0.8
121.02985	0.5
133.02925	0.2
135.04520	0.3
136.08173	0.2
137.02435	0.4
142.12859	0.2
151.03999	0.4
175.03967	0.4
177.05606	0.2
212.39021	0.2
239.61533	0.2
251.07138	0.3
251.77632	0.2
264.61148	0.2
267.06744	0.3
269.08154	0.3
279.06635	0.2
297.07642	1.4
305.10559	0.2
312.10086	1.2
313.10562	0.4
327.12302	0.3
344.20612	0.2
437.09097	31.8
438.09424	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	437.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63187	0.3
54.10310	0.3
55.12299	0.2
57.84935	0.3
59.01379	8.9
60.01679	0.3
61.98831	7.9
69.34987	0.7
69.35408	1.6
71.01379	0.5
72.99305	0.8
75.00833	0.3
79.60181	0.3
79.95738	6.5
80.96518	0.4
87.00883	1.4
87.66553	0.2
89.02454	0.3
93.03432	0.4
95.95257	0.3
96.96011	100.0
97.95962	0.5
101.02470	0.6
103.00390	0.8
107.22449	0.3
109.02969	0.4
110.97578	0.8
112.98798	1.0
117.03413	0.4
119.05065	0.6
121.02969	0.4
132.02206	0.5
133.02966	0.8
134.03755	1.1
135.04515	1.8
136.68559	0.3
137.02451	1.3
147.04544	0.3
149.00909	0.7
149.02399	0.3
149.06050	0.3
156.38814	0.4
159.04582	0.4
160.01672	0.6
161.02437	0.6
161.04529	0.4
163.04022	0.6
164.04851	0.4
175.04028	0.3
177.01875	0.5
178.02693	0.5
179.03467	1.1
179.05676	0.3
215.07239	0.3
219.02921	0.3
229.08521	0.4
231.10223	1.1
237.85632	0.3
250.06644	0.4
275.09091	1.6
297.07605	1.0
305.10233	1.3
306.10648	0.3
312.10199	1.3
313.10388	0.4
340.07983	0.3
437.09088	29.3
438.09448	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	436.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62402	1.5
58.02979	9.8
58.99604	3.7
59.01369	4.4
61.98836	3.0
71.01392	2.1
71.16521	3.1
71.58669	1.5
72.00909	2.4
73.38086	1.4
74.02476	26.1
82.02989	3.4
84.04535	1.5
86.02477	10.9
86.99075	1.8
87.05668	7.5
90.00204	1.9
95.02537	1.6
96.96004	3.2
97.04077	2.9
99.05646	22.4
100.00401	2.0
100.05959	1.6
101.07243	3.5
102.05605	4.8
109.04064	4.0
111.05620	1.8
112.04031	2.8
120.01232	1.3
123.05624	1.4
125.03548	3.1
127.05135	3.6
128.03545	60.8
129.03882	2.8
135.05656	5.6
137.07170	1.5
141.06702	4.2
143.04631	91.9
143.60774	1.5
144.04977	2.8
145.06178	5.7
146.04597	6.3
148.03709	1.4
153.06699	3.2
160.00735	18.0
166.09805	3.1
167.04585	5.5
167.08269	3.6
177.03389	7.3
179.04610	17.5
181.06198	2.3
185.05762	3.3
192.07806	1.9
197.05724	2.7
210.08852	19.5
242.07733	2.1
254.07822	24.3
255.08228	1.7
271.93393	1.5
272.08859	29.9
273.09128	1.9
288.06476	7.9
306.07651	100.0
307.07959	8.4
332.09027	4.4
436.13635	9.6
444.65799	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	436.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.4
62.68997	0.8
69.93876	1.8
69.94269	1.9
72.00913	3.8
79.95737	12.8
80.96501	2.3
87.00881	0.8
93.03471	1.6
96.95972	0.7
100.00408	9.8
107.05010	4.9
113.56336	0.8
119.05023	30.9
120.05350	1.3
132.02145	2.9
134.03738	37.1
134.06085	9.8
135.04475	3.8
142.37518	0.7
147.04440	0.8
148.05284	8.8
149.00839	0.8
149.04872	1.4
149.06078	22.5
149.41408	0.8
150.03275	0.7
150.06441	0.9
160.01654	21.2
161.02255	2.1
163.03999	23.7
164.04344	1.2
175.03993	29.2
177.05551	0.7
178.05077	4.3
179.03444	0.9
180.06660	5.6
190.05086	2.6
199.00732	1.0
201.11362	1.0
206.04565	31.5
207.04938	2.0
214.01796	8.7
250.07033	0.7
254.09590	0.9
261.07672	0.8
297.10016	2.0
312.12424	9.0
356.11343	18.7
357.11749	2.7
361.26047	0.7
392.08157	4.2
435.62155	0.8
436.07040	100.0
437.07388	14.8
437.13617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2514
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
56.42395	0.2
59.01376	0.3
68.87570	0.2
71.51589	0.4
77.15741	0.2
78.95901	50.9
88.32970	0.3
96.96024	0.4
96.96957	5.8
110.98524	0.5
117.79839	0.3
121.98775	0.2
124.93475	0.3
148.86876	0.2
150.98009	1.6
152.99585	100.0
153.99916	2.4
171.00629	4.1
185.02185	1.0
267.23309	2.0
281.24945	1.3
285.72345	0.3
435.25073	6.4
436.25653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.0706
Annotation	Cladoniamide A
Peak:m/z	Relative Intensity
53.69253	0.6
59.01371	0.9
69.95908	0.7
70.90955	1.3
72.00916	3.4
73.96342	0.7
79.95740	20.6
80.96507	4.6
86.78417	0.7
93.03476	1.2
96.95982	0.7
100.00407	8.8
107.04997	3.2
119.05025	23.5
120.05348	1.2
132.02144	1.8
133.05338	1.0
134.03749	37.3
134.06116	10.6
135.04616	4.3
135.06453	1.0
137.02414	0.9
139.06567	0.6
148.05319	10.7
149.06085	21.8
150.06432	1.4
160.01662	19.3
161.02361	2.4
162.03215	1.1
162.05554	0.7
163.04019	18.7
175.04016	23.9
177.05507	1.5
178.05110	7.7
180.04266	0.8
180.06627	5.4
190.05090	3.9
191.05809	1.1
204.06674	0.8
206.04588	18.3
206.08289	1.9
207.04938	1.2
214.01787	8.2
215.00273	1.0
227.09329	0.8
251.72693	0.6
253.08470	0.7
254.09254	1.0
260.02396	0.9
297.09937	3.2
312.12433	11.0
313.12784	1.8
356.11392	5.9
357.12375	0.8
372.37625	0.9
392.08066	9.9
393.08551	1.1
436.07053	100.0
437.07388	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3324
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
54.91135	0.3
59.01332	0.5
61.98793	0.3
62.61664	0.3
70.05896	1.3
75.11970	0.3
78.95909	19.3
92.92194	0.3
96.96966	1.6
111.00855	0.3
132.03624	0.3
150.97920	0.5
152.99593	30.1
153.99881	0.5
171.00526	1.0
237.17868	0.3
276.14764	0.3
279.23041	0.4
350.95874	0.3
415.32083	0.6
433.23499	2.6
433.33212	100.0
434.24026	0.5
434.33569	18.0
451.34283	40.9
452.34604	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	434.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35540	1.4
59.01376	10.1
61.98833	100.0
69.33257	7.3
69.33685	6.4
71.01392	3.1
73.23868	1.4
74.56377	1.8
87.00897	4.5
98.19880	2.5
101.02431	1.5
112.98796	4.8
135.04453	3.0
139.07585	2.4
198.12114	1.4
199.09811	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	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94237	2.7
57.12704	2.7
57.44206	2.6
58.00584	3.2
59.01372	5.2
61.98818	12.3
69.29076	3.1
71.01369	3.5
71.09091	6.1
73.10578	2.2
75.91064	2.3
87.00842	4.4
121.03056	3.4
128.03494	2.8
139.03966	7.8
145.02985	4.0
149.02443	27.3
150.03242	41.7
151.03596	4.2
161.04541	5.0
162.03262	2.8
164.04773	16.0
165.05568	100.0
166.05943	6.3
176.71902	2.4
195.06627	39.5
226.20003	2.5
244.27332	2.7
280.28458	3.3
327.10931	21.4
328.11020	4.5
337.63824	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	435.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86131	0.5
55.68497	0.3
61.74426	0.3
69.77612	0.4
71.60972	0.4
78.95905	59.7
91.12946	0.4
91.37573	0.4
96.95998	1.4
96.96969	7.1
110.98528	1.4
150.98033	1.5
152.99588	100.0
153.99899	2.2
158.84659	1.0
164.74725	0.4
167.01221	0.5
171.00630	4.4
185.02208	1.5
185.12494	0.4
187.99767	0.4
215.85185	0.3
267.23288	5.6
268.23520	0.7
281.24838	1.3
301.09418	0.4
419.45901	0.4
435.25003	7.9
435.34808	1.0
436.06375	0.9
436.25681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98815	0.3
69.38971	1.3
69.39381	0.6
78.95916	0.7
90.27715	0.3
98.20604	0.4
99.08135	0.3
117.03469	16.2
118.03797	0.8
119.05029	25.0
120.05346	1.5
121.02948	1.7
133.02907	0.4
145.02954	100.0
146.03291	5.8
152.99583	0.7
163.04010	18.0
164.04349	0.7
165.24747	0.3
269.21198	1.5
287.22290	8.4
287.25525	0.5
288.22656	0.8
306.04718	0.3
387.28104	0.3
415.24728	0.6
433.25916	33.6
434.26260	5.9
434.31680	0.2
451.34036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50703	3.1
57.03450	6.0
59.01382	100.0
61.98834	7.8
67.75184	3.3
69.64864	20.2
71.01381	30.8
73.02945	5.9
75.00916	3.7
81.06010	3.7
85.02955	10.4
87.00859	9.8
87.79457	3.7
89.02430	16.1
95.04971	4.1
101.02451	21.2
103.00339	5.4
109.02906	3.4
113.02448	16.0
113.03615	3.5
116.92898	6.5
119.03522	6.1
119.04995	5.1
122.03738	5.2
122.06121	22.1
123.04507	5.1
131.04622	12.9
132.02998	4.6
135.04489	17.5
144.04457	8.3
149.00864	6.9
161.04564	13.4
162.05565	6.6
163.04059	4.0
167.10669	3.7
179.03470	6.6
179.05615	3.8
207.13808	5.5
211.09785	5.1
268.11365	4.0
269.12921	8.5
285.12546	20.7
289.63867	3.9
301.09937	3.8
301.16388	4.0
313.12119	7.5
329.11487	3.9
373.14880	7.8
433.11319	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	433.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96388	0.3
69.65997	2.1
71.42282	0.3
75.94945	0.3
78.95902	70.4
81.09738	0.3
90.98042	0.3
96.96960	5.8
150.98012	1.6
151.78557	0.3
152.99586	100.0
153.99898	1.5
171.00616	3.2
279.23288	1.0
400.74429	0.3
433.23560	11.5
434.24036	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	433.2361
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
62.54898	0.2
63.40529	0.3
69.27734	0.2
78.95908	52.8
96.96972	6.8
105.90685	0.3
124.26511	0.2
135.93169	0.2
141.16357	0.2
150.97997	1.6
152.99594	100.0
153.31035	0.3
153.99947	2.1
171.00652	3.9
181.48190	0.3
229.41415	0.3
279.23276	0.9
366.77325	0.2
433.23624	5.2
434.24146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
57.03440	0.6
59.01381	100.0
60.01709	1.3
64.79615	0.2
65.51733	0.2
69.03486	0.3
69.80936	1.2
71.01386	4.1
72.99316	0.3
73.02953	0.9
75.00858	0.3
83.01408	0.8
85.02954	2.3
87.00890	0.4
89.02450	2.2
95.01398	0.5
97.02928	0.3
98.20545	0.4
101.02463	2.9
113.02454	2.9
119.03524	0.5
119.05038	0.9
125.02488	0.4
131.03465	0.2
133.02924	0.3
135.04582	0.5
140.88812	0.3
145.19885	0.2
151.00426	0.3
161.04541	1.2
193.01460	0.4
229.18163	0.3
271.06311	0.2
313.07233	1.9
339.64117	0.3
343.08310	0.4
373.22217	1.5
391.23380	2.1
433.19684	0.3
433.24677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03456	1.1
58.00589	1.4
59.01379	100.0
60.01712	1.4
70.21140	0.7
70.21532	0.9
71.01382	20.2
72.99315	1.5
73.02940	3.0
83.01377	1.7
85.02959	5.0
87.00858	2.0
87.04496	2.1
89.02442	20.3
90.02764	0.4
93.03477	0.6
95.01378	2.2
98.20612	0.5
99.00885	0.8
101.02445	13.0
113.02457	8.1
119.03510	8.4
119.05058	0.4
123.00874	0.7
124.01735	0.5
125.02474	0.9
131.03534	0.9
134.68365	0.3
135.04509	2.7
136.04863	0.4
137.02458	0.5
139.00406	1.5
139.04027	0.9
143.03508	1.6
145.03018	0.7
149.01065	0.4
149.02486	0.7
149.04579	0.8
153.05591	0.5
159.03029	0.5
159.10306	1.2
161.02446	0.6
161.04570	5.2
161.05916	0.6
162.03290	0.5
163.04109	0.4
166.02678	0.5
167.03596	0.5
175.03864	0.4
177.01987	0.6
177.05571	0.6
178.02724	0.6
179.03535	0.7
179.05618	3.6
188.33308	0.4
191.03738	0.5
193.05145	1.2
197.04610	0.5
201.14990	0.7
203.03578	0.5
209.04730	0.4
213.14993	0.5
218.05727	0.7
219.03110	0.5
229.18045	0.8
241.01421	0.4
241.14542	1.2
271.19183	1.5
301.61581	0.4
315.18091	0.7
321.15643	1.2
325.06906	0.4
343.08276	0.6
358.10837	1.5
373.12924	4.7
373.22403	0.8
374.13220	0.6
391.23541	1.7
403.09851	0.5
403.14499	1.0
418.12808	1.1
433.09204	0.3
433.15060	7.1
433.24207	3.7
434.15714	0.9
434.24921	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
61.98832	0.6
70.02103	1.5
72.89378	0.4
78.95905	1.0
80.40662	0.3
88.15238	0.3
93.41917	0.4
96.95993	0.5
117.03464	17.7
118.03808	0.6
119.05025	26.5
120.05344	1.3
121.02970	2.3
123.04511	0.5
133.02971	0.4
145.02951	100.0
146.03279	5.1
152.99582	0.9
161.04736	0.4
163.04004	18.0
164.04324	1.1
206.51636	0.5
269.21136	1.9
287.22278	8.4
288.22562	1.6
391.93933	0.4
415.24725	0.5
433.25894	35.4
434.26175	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	433.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73104	1.6
57.03428	1.7
59.01376	75.9
59.01677	3.8
60.01706	5.0
61.98839	1.4
68.99807	3.2
70.13632	6.4
71.01382	11.6
73.02946	3.5
75.00870	5.4
84.20531	1.7
85.02943	5.7
87.00861	3.6
89.02447	4.7
94.06614	1.9
95.05003	6.4
98.20542	1.6
101.02445	4.9
107.03739	3.4
108.02297	1.6
109.02915	2.1
110.08932	1.6
113.02438	4.2
116.05057	11.2
118.06598	4.0
119.03502	2.1
119.04996	1.7
122.06121	84.2
123.06445	4.5
135.04515	4.2
144.04550	46.3
144.05687	2.0
145.02974	2.7
149.00839	1.9
154.03259	1.8
161.04491	3.5
162.05617	38.8
163.06262	6.1
164.07109	1.8
166.05092	2.3
179.03430	2.0
187.91777	1.4
188.03491	6.4
194.04590	1.6
195.05350	3.4
243.11331	1.8
267.11365	12.5
283.14603	2.5
285.12433	100.0
286.12787	9.2
301.16479	2.9
311.10361	1.6
329.11392	18.1
330.11649	2.6
355.47034	1.5
381.41925	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.135
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
59.01376	2.2
61.98840	0.3
68.14796	0.2
69.03465	0.3
70.54363	0.3
71.01382	2.6
73.02944	0.4
83.01392	0.4
85.02981	0.3
87.00810	0.3
89.02451	3.1
91.65059	0.2
93.03461	6.8
94.03805	0.3
95.01392	0.2
96.96971	0.4
98.20011	0.2
99.00898	0.6
101.02448	0.8
113.02478	0.4
115.04036	0.3
121.02958	7.9
124.00783	0.5
124.01605	0.3
125.02448	1.9
131.03523	0.5
137.02422	0.2
139.04015	100.0
140.04352	4.6
149.04582	0.8
161.04570	0.4
165.01874	0.6
181.08662	0.2
191.05606	0.6
233.06689	1.8
251.55998	0.2
269.95532	0.3
293.08801	3.7
423.60550	0.2
433.13770	3.3
434.14023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16193	0.5
57.03441	0.9
58.00591	0.9
59.01379	49.5
60.01725	0.9
61.98820	1.0
63.02391	2.2
65.00328	7.4
69.03462	0.5
69.61954	1.3
69.62380	2.3
71.01382	11.0
72.99304	3.6
73.02940	2.5
75.00888	0.5
83.01388	4.7
85.02962	4.4
87.00874	7.6
89.02449	10.4
90.60577	0.5
93.03454	9.1
95.01379	1.6
96.95975	0.5
98.75438	0.5
99.00874	0.7
101.02443	6.5
103.00364	1.8
107.01391	14.4
112.98803	1.8
113.02464	5.2
119.03516	3.6
119.05027	41.3
120.05368	1.6
121.02948	1.6
123.00879	0.8
125.02437	2.3
130.99849	1.1
134.03708	0.8
135.04514	2.4
136.01665	0.8
137.02435	1.0
143.03543	1.0
145.02966	0.9
149.00916	21.0
149.06085	0.6
150.01262	0.7
151.00371	42.8
152.00734	1.6
161.02376	0.7
161.04553	1.7
161.05963	0.8
163.03947	0.8
164.01074	0.6
165.01907	2.5
165.05560	0.7
168.00648	1.0
169.01379	1.4
171.08093	0.7
175.00349	1.3
177.01918	6.2
179.03520	0.9
179.05597	2.3
182.07367	0.7
187.03943	0.8
193.01424	0.9
197.09753	6.2
197.11562	0.7
198.10107	0.8
219.02994	0.7
227.07230	0.7
227.10522	0.7
257.11902	0.7
271.06104	100.0
272.06448	11.4
295.06039	1.8
300.02744	1.3
301.03513	0.7
301.10815	13.8
301.20148	2.0
302.11121	1.8
313.07129	2.1
373.22223	1.3
391.23053	0.9
415.23105	0.9
433.10928	1.0
433.23413	3.2
433.28503	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	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80623	0.8
55.01881	1.2
57.03444	1.5
59.01381	100.0
60.01709	1.2
60.66738	0.8
61.98829	3.2
65.00301	1.1
65.07839	0.9
65.48889	0.9
66.78738	0.9
70.23249	3.1
71.01389	11.6
72.01743	0.9
72.99316	10.8
73.02940	5.8
75.00877	1.7
83.01389	2.4
85.02959	6.3
87.00880	36.5
88.01232	1.2
89.02445	5.8
93.03456	3.2
95.01380	1.8
98.19899	0.9
99.00871	1.9
101.02448	8.9
103.00378	9.0
105.01924	2.9
108.02197	1.0
109.02967	1.0
112.98811	1.2
113.02464	5.3
119.03534	1.0
119.05014	4.2
121.02936	1.9
125.02441	1.5
130.99870	4.6
135.04466	1.5
138.09250	0.8
145.02872	1.0
149.00920	97.7
149.06067	5.5
150.01230	2.5
151.00365	3.5
161.04539	2.5
163.03912	1.1
177.09192	8.4
179.03523	1.1
182.07364	5.7
183.13969	6.5
184.14275	1.2
191.03503	1.8
195.08253	1.2
197.09727	41.7
197.11644	2.6
198.10037	4.0
205.05043	1.8
211.11343	5.0
213.12862	1.8
227.07088	1.6
227.10712	3.3
229.18079	3.1
245.11758	3.2
248.47469	0.9
257.11853	4.5
271.06064	5.3
301.10815	82.9
301.15979	7.9
301.19955	1.5
302.11166	9.7
302.16754	1.1
304.72351	0.8
310.23663	1.0
351.13113	0.9
373.22354	7.6
385.47104	0.8
391.23325	18.3
392.23737	2.1
433.11304	2.6
433.23727	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	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	62.3
61.98839	45.8
64.36834	5.2
70.74030	16.9
78.95908	11.6
81.84299	6.2
117.03530	12.9
118.03853	8.8
119.05035	37.6
120.05350	16.0
145.02950	100.0
146.03305	62.2
147.37288	6.2
152.99561	7.7
163.04015	21.8
164.04254	10.1
171.65041	6.5
269.46387	7.7
286.20959	11.4
317.62787	6.3
317.66620	7.2
338.22223	6.1
432.25150	39.3
432.31604	39.4
433.32913	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	433.0776
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
59.01380	31.6
59.56530	0.4
63.02409	0.8
65.00327	1.2
66.84122	0.4
69.71999	2.5
71.01388	4.2
73.02958	0.9
83.01390	1.2
85.02984	1.1
87.00873	0.6
89.02447	4.0
91.01914	1.2
93.03515	0.6
93.30901	0.4
95.01403	0.6
101.02456	2.4
107.01417	2.8
108.02170	2.5
109.02937	2.1
113.02441	2.9
119.01369	0.4
119.03521	1.6
121.02985	2.6
123.00880	0.6
124.01699	0.7
125.02418	0.6
135.00879	2.9
135.04527	4.1
139.03897	0.4
142.27618	0.5
147.00778	0.4
148.01677	2.6
149.02536	0.5
151.00368	12.3
152.00960	0.7
153.01938	1.0
161.02467	0.7
161.04605	0.6
163.00380	3.5
164.01146	0.9
165.01958	0.6
166.92020	0.4
167.04953	0.5
169.01343	0.4
173.05988	0.5
175.03926	0.4
178.99864	6.0
179.05560	0.6
181.05145	0.4
183.04510	0.6
185.06146	0.4
187.03984	0.6
199.03964	1.3
203.03471	1.1
211.03972	1.0
215.03589	1.0
216.04185	0.7
226.02736	2.7
227.03479	4.8
229.05119	1.0
239.03780	0.6
243.02960	14.8
244.03453	1.6
245.04482	1.3
254.02219	3.3
255.02982	27.5
256.03409	3.1
271.02475	68.0
271.19266	0.7
272.02902	8.4
273.03894	1.3
283.02454	1.7
299.01990	1.3
300.02747	100.0
301.03467	65.3
302.03912	5.7
373.12894	0.9
403.09790	0.5
433.07709	66.0
433.23892	1.8
434.08029	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	433.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39252	0.8
58.38210	1.1
59.01378	10.5
61.98819	3.1
66.23917	0.8
69.03452	1.2
70.18175	3.2
71.00804	0.9
71.01371	4.4
71.01714	0.8
72.99304	2.3
73.02932	2.1
75.39405	0.8
83.01395	1.3
85.02943	2.0
87.00870	1.3
88.49809	0.9
89.02438	4.2
89.20085	0.9
95.01402	0.9
96.96980	1.5
97.02950	1.4
99.00884	0.9
101.02435	3.8
108.50117	0.9
113.02435	2.3
119.03497	1.3
121.02963	1.8
123.00903	6.6
124.01666	27.1
125.02446	22.5
128.03563	1.3
133.02858	1.1
137.02405	3.3
139.03976	2.1
139.76811	0.9
149.99574	44.0
151.00185	1.5
151.03973	1.4
153.01868	1.5
161.04512	1.5
164.04802	3.4
165.05588	2.0
167.03487	2.2
168.00632	98.3
169.01166	6.3
179.03563	1.1
179.07149	3.1
250.05371	1.2
301.05630	3.0
346.27786	1.0
373.52466	1.2
415.08884	1.3
433.09790	100.0
434.10004	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	433.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03736	0.9
57.46014	0.8
59.01379	66.1
59.10948	0.8
70.38203	1.4
70.38551	2.9
71.01378	3.6
72.99303	12.1
73.02971	1.7
75.00864	1.4
87.00874	38.2
88.01205	1.3
89.02430	3.3
93.03468	2.2
98.19808	1.1
101.02446	1.9
103.00378	7.5
105.01947	3.0
113.02460	1.8
119.03554	1.4
125.02526	0.9
130.99872	4.2
135.04524	1.2
149.00916	99.9
149.06096	4.6
150.01241	2.6
151.28845	1.0
152.51953	0.9
177.09183	2.7
182.07298	5.5
195.08153	1.6
197.09709	45.8
198.10066	3.8
200.07079	0.9
211.11256	5.9
227.10745	2.6
245.11798	2.1
257.11877	4.4
301.10803	100.0
302.11160	10.1
309.05728	1.0
433.28329	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98833	100.0
64.03170	0.3
65.94978	0.3
71.59915	0.5
78.95936	0.3
87.00877	0.4
96.96977	0.7
125.02382	0.3
130.08755	0.3
137.02478	0.4
194.08286	0.6
453.96823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	53.3
68.98907	1.2
68.99567	2.2
71.33009	1.7
86.02482	9.4
90.53146	1.3
93.03459	3.6
96.51755	1.2
109.02921	1.8
119.05046	13.4
148.07719	1.8
163.04013	22.2
164.04282	2.1
181.05069	2.8
185.72781	1.4
194.08224	100.0
195.08559	5.2
203.09654	1.4
232.78967	1.3
298.09772	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
58.00575	0.3
59.01382	100.0
60.01719	10.7
60.02037	0.4
61.01819	2.0
67.88581	0.2
71.01385	3.5
71.05034	0.4
72.01749	0.8
72.99325	0.4
73.02957	1.3
78.95930	0.9
83.01402	0.4
83.05035	0.3
85.02959	1.1
87.00892	1.0
89.02449	1.9
93.03487	0.4
95.01405	0.3
97.06599	0.3
99.00903	0.4
101.02457	2.0
102.02788	0.4
103.00431	0.4
106.62357	0.2
109.03006	0.3
112.98829	0.3
113.02452	1.7
114.02706	0.4
115.92140	0.4
116.92847	2.8
117.03479	0.6
119.03543	0.5
119.05059	0.8
122.06077	0.4
125.02463	0.6
134.04733	0.3
135.00864	0.3
135.04521	2.2
137.02449	0.3
145.02983	1.5
149.00970	0.5
155.10817	0.7
156.11156	0.6
161.02486	0.4
161.04587	1.0
163.04034	0.6
175.49577	0.3
179.03557	0.4
190.28697	0.3
190.60695	0.3
194.08179	1.4
227.16609	1.4
228.16862	1.8
235.88483	0.3
256.09860	0.5
271.06140	0.6
294.94305	0.3
313.14859	0.4
372.20868	0.6
388.17664	0.6
390.22144	1.2
432.16632	1.0
432.22842	0.5
433.04950	0.3
433.11273	1.0
433.21130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
71.31318	0.6
78.95901	0.4
117.03466	16.6
118.03809	1.1
119.05026	24.7
120.05360	1.3
121.02943	1.7
123.04529	0.4
133.02945	0.4
135.04504	0.4
136.01704	0.3
145.02953	100.0
146.03294	5.9
163.04015	17.9
164.04349	1.3
204.08611	0.3
246.61624	0.3
262.69714	0.3
263.19955	0.3
267.19653	1.5
285.20737	6.9
286.21048	1.0
319.44055	0.3
413.23181	0.5
431.24362	26.4
431.30917	1.0
432.24783	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	431.2439
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
52.36376	0.4
54.21080	0.4
59.01372	2.1
61.98812	0.5
63.47759	0.4
67.72394	0.4
68.54409	0.4
70.17920	1.6
73.17643	0.4
78.95926	0.8
80.60730	0.4
102.01736	0.5
104.88475	0.4
117.03468	19.0
118.03784	0.6
119.05027	26.3
120.05378	1.2
121.02958	1.7
123.04524	0.9
133.02957	0.6
145.02953	100.0
146.03313	5.7
152.99593	1.3
155.80247	0.5
163.04016	20.2
164.04364	0.8
179.26370	0.4
267.19577	1.5
285.20676	9.5
286.20844	0.6
380.54358	0.5
413.23032	0.5
431.24344	26.6
432.24756	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	432.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28510	0.3
55.98220	0.3
56.92985	0.3
57.03455	1.1
57.96480	0.3
59.01382	8.7
60.01708	0.6
61.98832	100.0
71.01392	3.4
71.61438	0.4
72.79105	0.3
72.99310	0.4
73.02950	0.6
75.00902	0.4
83.36125	0.3
85.02954	0.9
87.00874	2.0
89.02446	1.6
90.68207	0.3
95.75362	0.3
99.04544	0.5
101.02470	1.4
103.00426	0.3
109.03017	0.3
111.00873	0.3
113.02450	1.3
115.00390	2.9
119.05077	0.3
122.06147	0.9
123.03306	0.6
123.04496	0.6
125.02462	0.8
126.02792	0.4
134.50439	0.3
135.04524	0.3
137.02429	0.4
138.01936	0.5
138.05609	8.4
149.00957	0.5
149.06085	0.4
161.04555	0.7
162.05652	0.5
167.03531	0.8
175.02484	9.8
176.02837	0.3
179.03540	0.5
194.05878	0.5
209.04477	0.5
209.08209	0.6
210.08548	0.7
219.22937	0.4
264.00955	0.3
269.69214	0.3
285.12527	1.4
300.09662	0.4
408.56439	0.3
432.15472	1.0
433.14148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03449	1.4
59.01381	100.0
60.01715	2.5
61.01796	0.9
61.98834	1.2
65.94317	0.5
69.95596	0.4
70.92400	1.0
70.92731	0.7
71.01384	9.3
72.99311	1.3
73.02956	2.5
83.01402	1.0
85.02941	3.2
87.00875	2.9
89.02452	6.6
92.34776	0.5
93.03471	1.6
99.00912	1.2
101.02448	7.2
103.00361	0.9
109.02999	1.0
112.02509	0.5
112.98844	0.8
113.02455	5.9
118.77650	0.4
119.03518	3.6
119.05106	0.9
121.02951	3.0
125.02496	0.8
135.04562	3.2
137.02463	1.9
138.02029	0.6
143.03528	0.9
149.00989	1.2
153.01955	1.5
159.12016	0.5
161.02551	0.7
161.04565	3.0
163.04092	0.6
165.05635	0.7
169.40598	0.4
173.04532	0.5
179.03525	1.5
179.05681	1.7
194.08290	1.0
209.11722	0.6
209.15549	0.6
242.06128	0.5
246.93771	0.5
255.06880	0.6
269.04816	0.8
269.17520	0.7
279.00806	0.5
371.20859	0.7
385.18936	0.8
388.17834	2.1
389.21832	0.7
431.23154	1.9
432.16858	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
57.03449	0.4
58.00596	0.8
59.01380	100.0
60.01717	1.2
67.23756	0.2
69.58167	0.9
69.58595	0.7
71.01388	10.6
72.99332	0.6
73.02953	3.2
83.01392	1.5
85.02952	2.9
87.00892	0.9
89.02445	6.4
95.01399	0.8
97.02968	0.3
99.00851	0.3
99.06968	0.2
101.01779	0.3
101.02448	6.6
112.98888	0.3
113.02456	4.8
119.03507	2.3
125.02456	0.3
131.03516	0.5
135.04553	0.4
143.03540	0.8
149.04575	0.3
153.09308	0.2
161.02600	0.2
161.04556	2.4
179.03578	0.3
179.05653	0.8
209.15541	0.4
224.66055	0.2
227.16528	1.8
269.14066	0.3
284.03522	0.3
299.18707	0.4
353.19696	0.3
354.53796	0.2
371.20660	2.8
372.21320	0.3
389.21793	4.5
389.26425	0.3
390.22540	0.6
431.09927	0.3
431.22458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75108	0.5
53.50872	0.5
55.01873	0.8
57.03453	1.9
58.00593	0.7
59.01382	100.0
60.01723	1.8
69.03461	0.9
71.01388	25.0
71.05026	0.9
71.32113	0.7
72.99316	1.5
73.02952	26.7
74.03291	0.6
75.00884	1.1
76.88713	0.5
78.95922	0.7
81.03446	0.6
83.01392	6.0
85.02950	5.4
86.32973	0.5
87.00912	1.8
87.04520	10.7
87.05038	0.8
89.02443	9.2
95.01416	1.7
97.02974	0.8
99.00898	1.1
99.04513	1.0
101.02446	24.0
102.02787	0.7
103.00410	1.1
106.11227	0.6
111.08172	1.5
112.98808	1.3
113.02448	11.2
119.03489	4.5
119.05035	1.1
121.91835	0.5
125.02474	1.2
131.03563	1.7
133.02991	1.5
135.04575	2.1
137.02522	0.6
143.03482	2.5
149.04601	2.0
153.09206	8.4
161.02475	0.7
161.04553	6.2
166.89983	0.5
179.03546	1.0
181.12463	0.6
191.14426	0.5
203.05675	0.6
207.17606	0.5
209.15489	7.1
212.38377	0.7
213.67105	0.5
221.06818	0.5
227.16603	1.6
250.20291	0.5
258.00772	0.5
269.17584	16.2
270.18015	2.0
299.18747	0.7
371.20624	5.7
372.21005	0.7
383.81003	0.5
389.21860	2.8
390.22278	1.0
431.22946	3.1
431.27277	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	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01379	100.0
60.01706	1.7
70.78506	1.0
70.78858	0.6
71.01382	4.7
72.99323	1.4
73.02969	1.3
73.43346	0.4
81.57891	0.4
85.02957	2.0
87.00876	1.4
89.02444	4.1
101.02443	3.3
109.02975	2.8
113.02470	2.7
113.39378	0.4
119.03518	1.2
121.02944	0.8
125.02460	0.7
135.04541	1.0
137.02469	0.9
153.01941	2.8
161.04558	1.7
179.05635	1.0
209.11810	0.8
227.16626	0.5
252.26509	0.4
343.72635	0.4
431.23218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33950	0.3
56.35849	0.4
59.01381	100.0
60.01718	1.3
63.49775	0.3
71.01378	1.4
71.39882	0.5
73.02936	2.1
75.00863	0.4
83.01412	0.7
86.20422	0.3
101.02443	1.1
103.04522	0.4
113.02495	0.4
114.68088	0.4
124.83770	0.4
133.02966	1.8
135.04587	0.6
143.47047	0.5
165.67212	0.3
167.10779	10.1
168.11058	0.5
177.01929	1.1
191.10844	1.0
209.11775	0.5
219.73204	0.3
220.03841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41784	0.8
59.01382	100.0
60.01716	2.0
64.60629	0.7
71.01416	1.5
72.74033	0.7
73.02959	1.1
93.57774	0.7
98.19888	1.7
125.09729	1.5
133.02982	3.2
164.85983	0.7
165.12854	4.4
177.01859	1.4
179.03578	1.1
183.13918	5.7
209.11874	1.2
220.03741	2.6
227.12930	7.8
229.26016	0.8
233.12054	0.8
247.10503	0.8
251.12932	1.2
275.12869	1.1
293.13940	6.1
352.74744	0.9
371.17075	1.0
431.22745	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22676	0.2
71.30729	0.4
78.95903	52.8
93.60474	0.3
96.02377	0.3
96.96960	6.2
100.50912	0.2
120.29438	0.3
126.39489	0.3
133.43163	0.3
150.98003	1.9
152.99590	100.0
153.99907	1.9
156.22600	0.2
171.00652	4.4
178.60892	0.3
201.95976	0.2
215.74271	0.3
277.21851	0.6
278.22305	0.3
421.46405	0.3
431.21948	4.9
432.22476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
57.03450	1.0
58.00601	0.6
59.01378	14.1
61.98841	0.3
69.03469	0.7
69.28333	2.3
71.01384	5.5
71.04997	0.3
72.99313	0.2
73.02946	5.0
83.01380	1.0
85.02953	1.7
87.00890	0.4
87.25821	0.2
89.02444	1.3
95.01392	0.4
95.05018	0.3
97.02950	0.4
97.06578	0.7
101.02441	5.0
104.73717	0.2
111.08186	1.9
112.98821	0.4
113.02449	2.8
119.03533	0.3
124.01603	0.2
125.02437	0.6
128.90364	0.2
131.03424	0.3
133.03011	1.1
135.04497	0.9
137.02486	0.3
142.66266	0.2
143.03474	0.7
149.00893	0.3
149.04538	0.4
155.03467	0.4
161.04514	1.1
163.11331	0.3
165.12840	24.5
166.13159	1.6
167.14389	0.4
177.01927	0.4
179.03545	0.5
179.14447	0.4
181.12312	0.3
183.13895	78.2
184.14238	5.7
191.10782	0.5
195.13943	0.7
197.15460	3.4
203.05623	0.6
207.13916	2.4
209.11818	3.5
220.03711	0.7
225.14922	2.4
227.12880	100.0
228.13208	8.3
241.14435	0.5
251.12852	2.4
269.13916	2.3
281.13821	0.3
287.22507	0.3
293.13940	0.5
299.18698	0.3
311.15195	0.3
389.21793	0.5
398.68240	0.2
431.18857	2.1
431.26590	1.5
432.19208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	5.2
59.01379	100.0
59.57538	0.5
60.01701	1.6
61.98831	24.6
65.84885	0.5
69.03454	0.9
69.85029	1.2
69.85439	1.9
71.01382	12.1
72.99337	1.0
73.02942	3.8
81.03471	0.7
83.01411	1.0
85.02946	4.4
87.00873	2.5
89.02446	9.3
89.17663	0.5
93.03498	0.7
97.02973	1.4
98.19907	0.8
99.00897	1.2
99.04542	3.0
101.02447	6.9
103.00435	0.6
105.01932	0.7
107.05037	1.3
108.02190	0.6
109.03004	0.9
113.02450	4.2
115.00390	0.7
119.03507	2.1
119.05031	1.5
121.02977	1.3
123.03288	1.6
123.04484	2.8
125.02446	5.9
131.03563	1.5
135.04529	1.5
137.02484	3.2
137.06076	1.7
138.05617	22.9
143.03531	0.7
149.00946	0.9
149.04588	0.9
149.06082	1.0
151.04019	0.7
152.01178	0.9
152.42482	0.5
161.02454	3.8
161.04532	2.6
165.05545	1.1
167.03464	5.3
171.08154	0.7
175.02504	2.4
175.03934	0.7
176.04803	2.2
179.03534	5.2
179.05611	1.0
190.53096	0.5
191.07187	1.0
193.05147	1.0
194.05809	6.7
209.08194	15.6
210.08636	1.5
247.14250	0.5
255.10260	1.0
259.37317	0.5
266.48792	0.6
269.10379	0.9
281.06757	0.9
293.08923	0.7
299.09128	1.6
308.94302	0.7
325.74918	0.6
341.08740	0.7
357.53384	0.6
431.15701	2.2
431.22705	1.1
432.15161	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10483	0.2
57.03431	0.7
59.01386	2.4
60.99324	0.2
61.98837	2.0
63.71862	0.2
69.40379	1.4
71.01369	1.2
72.99280	0.2
73.02949	0.5
81.03465	0.3
83.01402	0.3
84.80432	0.2
85.02939	0.5
87.00882	0.4
88.98822	1.7
89.02452	1.0
93.03464	1.1
95.01385	0.2
96.96960	0.2
99.04527	0.8
101.02444	1.3
102.93248	0.2
103.00440	0.2
108.02188	0.7
109.02963	1.2
113.02444	0.7
114.01894	0.2
119.03500	0.3
119.05004	0.2
120.01268	0.8
123.00896	0.3
125.02444	0.6
128.03493	0.2
135.04543	0.4
136.01649	1.1
137.02448	100.0
138.02776	4.2
138.05583	0.4
139.66949	0.2
149.00838	0.2
149.06071	2.3
150.03206	0.2
153.05658	0.2
161.02522	0.3
161.04575	0.4
165.05576	0.5
171.08133	0.2
179.03467	0.3
181.04810	0.2
183.04805	0.5
209.04562	0.3
209.08015	0.3
299.09149	0.4
343.08191	0.2
387.19290	0.2
431.11780	2.7
432.13223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98102	0.2
57.03448	2.3
59.01380	2.7
61.98832	0.9
70.99311	0.6
71.01387	0.9
72.99319	0.2
73.02934	0.5
81.03450	0.4
82.40322	0.2
85.02958	0.4
87.00890	0.3
88.98787	0.6
89.02460	0.9
93.03469	0.6
95.01385	0.3
97.02955	0.2
99.04518	2.2
101.02439	1.2
108.02181	0.9
109.02959	0.7
113.02454	0.4
119.01344	0.3
121.02974	0.2
123.82840	0.2
125.02467	0.7
135.04543	0.4
136.01674	2.0
137.02444	100.0
138.02782	4.1
145.02898	0.3
150.03259	0.6
152.01204	0.2
153.05534	0.4
160.36655	0.2
161.02429	0.2
161.04547	0.3
165.04199	0.3
165.05522	1.5
179.03531	0.4
209.08052	0.3
213.07690	0.4
255.10208	0.4
273.38773	0.2
299.09213	0.5
431.11899	17.6
432.12164	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	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29330	0.8
56.18909	0.8
57.03448	35.4
59.01382	26.2
61.98831	9.7
69.03481	1.0
71.01382	9.3
71.61108	1.3
72.99322	2.5
73.02940	4.3
81.03451	2.3
83.01370	1.9
85.02940	2.0
87.00880	3.9
88.98806	5.1
89.02426	5.6
93.03460	5.0
94.63197	0.8
95.98122	0.8
97.02971	1.0
99.04519	29.0
100.04892	1.0
101.01843	1.6
101.02448	13.4
103.00394	1.2
108.02183	3.3
109.02930	2.2
113.02444	3.8
113.17433	0.9
119.03500	2.3
119.05042	1.1
121.02976	2.4
122.02483	2.3
125.02446	10.3
135.04532	2.7
136.01668	2.0
137.02448	100.0
138.02786	3.2
138.05626	1.3
141.00201	1.2
143.03458	1.7
145.02988	0.9
149.00877	2.0
149.02441	1.2
149.06064	2.0
150.03233	10.6
151.04021	1.2
152.01175	2.8
153.05576	4.3
161.04524	1.2
162.03259	1.1
163.04036	1.1
165.05565	23.8
166.05908	1.6
171.08134	1.0
179.03458	2.8
183.02892	0.9
194.05878	1.1
197.05937	0.9
209.08148	5.2
213.07619	4.7
213.09422	1.5
227.09248	1.3
231.27693	0.9
255.10217	2.3
264.32779	0.8
299.09195	2.9
319.08017	0.8
329.12219	1.5
332.09616	0.9
369.15497	0.9
371.13324	1.4
428.59390	1.0
431.11453	15.8
431.20920	1.1
432.12695	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	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	38.3
57.19136	0.7
58.03781	0.8
59.01379	27.1
61.94945	0.7
61.98829	10.5
65.25233	0.8
69.68544	1.2
69.68948	4.0
71.01386	9.0
72.99316	1.0
73.02944	3.3
73.71586	0.8
81.03456	2.8
83.01379	1.5
85.02959	1.6
87.00864	4.1
88.67875	0.8
88.98817	4.0
89.02458	5.1
93.03452	4.2
93.29718	0.9
96.03214	0.8
97.02961	1.1
99.00890	1.2
99.04517	29.3
100.04857	1.4
101.02442	11.7
102.02842	0.9
108.02172	2.3
108.96630	0.9
109.02953	2.3
112.98827	1.0
113.02428	3.5
118.14217	0.7
119.03477	1.9
119.04961	1.3
120.01254	1.0
121.02947	2.4
122.02445	1.9
125.02449	10.8
131.03564	0.9
134.03690	1.0
135.04478	2.2
135.28802	1.0
136.01645	2.1
137.02443	100.0
138.02757	3.8
138.05603	0.8
141.00177	0.8
141.28165	0.8
143.03552	1.7
147.04503	1.1
149.00896	1.5
149.06029	1.9
150.03223	10.4
151.03934	2.1
152.01099	2.0
153.05592	4.9
161.02376	1.2
161.04594	1.9
161.06064	0.9
163.04068	1.4
165.05560	25.6
166.05919	2.2
175.02367	1.0
179.03416	2.7
183.06432	0.8
191.41280	0.7
194.05853	1.3
209.08153	4.5
213.07605	5.8
213.09355	1.2
255.10179	2.6
299.09134	3.0
431.11298	16.4
431.21552	1.3
432.12018	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.3
59.01382	35.1
68.99833	1.3
69.26969	0.6
71.01384	5.4
72.99313	2.4
73.02943	2.1
75.00859	0.9
83.01391	0.8
84.99322	1.6
85.02968	1.6
87.00880	10.6
89.02457	2.0
93.03462	44.5
94.03796	1.3
96.99271	1.0
98.19755	1.7
101.02409	3.8
103.00404	3.8
107.05036	1.1
109.02955	3.5
112.98822	17.8
113.02474	1.9
113.99181	1.0
119.03539	1.2
119.05035	1.6
121.02978	2.8
127.00380	2.2
130.99883	1.4
133.02974	8.7
134.03722	2.6
135.04533	34.7
136.04907	1.0
137.02452	100.0
138.02782	4.7
139.00386	3.3
143.19043	0.7
145.02922	1.4
147.04515	0.9
149.00963	2.5
149.02420	0.8
149.06105	1.4
151.03995	2.2
155.23851	0.7
158.03682	1.1
159.04512	1.5
161.02458	14.9
161.04501	0.9
163.04001	7.5
164.04401	0.7
175.04080	0.9
177.01947	7.7
177.05588	1.8
178.02498	0.8
179.03499	16.8
180.03926	1.5
191.03549	3.7
205.05080	0.9
219.02979	18.1
219.05028	1.3
220.03320	1.4
231.03041	2.9
269.03082	3.2
269.13898	0.9
275.01932	1.8
293.03036	18.3
294.03442	1.3
299.18741	3.2
389.21689	0.8
431.13437	4.7
431.26477	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	431.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12109	0.6
59.01370	2.6
60.99308	14.3
71.01376	1.7
71.60461	0.6
72.73251	0.9
73.57819	0.6
73.93678	0.6
74.54826	0.6
77.16928	0.7
87.00882	3.1
88.98808	100.0
89.02447	4.5
89.99164	0.8
93.03458	2.0
93.05221	0.8
101.02463	0.8
103.00354	1.0
108.02146	0.8
112.98697	0.7
119.05013	4.3
133.01430	2.4
135.04527	2.3
137.02475	4.4
149.00932	8.2
149.06090	2.0
149.90150	0.7
153.01746	0.8
163.04005	5.9
179.03484	3.2
194.08139	0.7
201.49838	0.6
219.03049	0.8
255.10283	1.3
295.04654	0.9
299.09039	1.2
431.11462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99317	0.7
57.03445	1.9
59.01380	100.0
60.01729	1.5
61.98853	1.6
65.76437	0.7
66.13715	0.7
68.99822	8.1
69.29435	4.5
69.29859	2.2
71.01385	13.1
72.99322	3.2
73.02949	5.1
75.00885	0.7
78.16677	0.8
83.01404	2.1
84.99355	0.9
85.02958	4.2
87.00875	26.7
89.02441	8.3
93.03458	35.1
94.03840	1.2
95.01393	1.6
99.00878	1.6
99.04558	1.0
101.02438	10.1
103.00375	6.2
107.05048	1.0
108.02187	1.5
109.02947	5.3
111.00871	1.0
112.98815	8.1
113.02442	5.4
117.03452	1.2
119.03534	3.2
119.05036	2.0
121.02934	3.2
125.02467	2.0
127.00377	2.7
127.04063	0.7
130.99855	8.3
133.02965	6.3
134.03725	2.5
135.04526	54.8
136.04890	2.7
137.02443	65.1
138.01897	1.5
138.02840	1.8
139.00403	2.8
143.03543	0.9
145.02956	1.2
145.09767	0.7
147.04527	0.9
149.00937	3.8
149.02390	1.1
151.04015	1.2
159.04527	1.0
161.02438	15.2
161.04475	3.3
162.02896	0.9
163.03981	12.3
164.04416	1.1
165.12874	1.0
166.02654	1.3
167.03581	0.9
173.02541	0.9
177.01917	4.5
177.05632	1.8
179.03491	37.5
179.05716	1.2
180.03856	2.1
187.04021	1.1
191.03477	3.7
194.08177	3.6
209.15598	0.9
219.02983	18.6
220.03345	1.2
221.04674	1.0
227.16510	2.3
231.02887	3.6
251.01968	6.0
265.09912	0.8
269.02997	8.4
269.17700	1.0
275.02011	2.4
285.04221	1.3
293.03076	13.9
294.03442	0.8
299.18707	0.9
343.12845	1.5
371.20645	1.3
389.21872	2.7
390.41321	0.8
431.23325	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	430.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	76.7
60.01704	10.4
61.98830	73.4
62.94763	9.1
67.26416	9.8
67.82324	9.5
71.61314	13.6
73.26593	10.0
78.95908	11.3
92.88530	9.5
99.92580	23.5
117.03464	15.6
118.89942	16.9
119.05048	28.1
123.80623	11.1
127.09457	9.9
142.17897	9.4
145.02946	100.0
152.99600	10.7
163.04027	31.1
180.12892	10.4
197.23228	10.3
263.59387	9.5
376.59943	11.2
431.24026	22.5
431.31546	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	430.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18403	8.2
53.72979	9.4
55.42502	8.3
57.12039	8.7
59.01385	86.9
60.01701	15.5
61.98837	100.0
64.76892	8.9
69.40218	82.6
71.01367	9.5
99.92593	10.0
106.34875	9.1
110.00641	7.9
133.03029	10.0
139.65210	10.2
145.02986	45.6
152.99617	10.8
163.04068	10.2
216.43929	8.5
234.55794	8.4
245.65004	9.1
299.94958	9.9
312.58563	8.4
389.18011	8.4
431.31744	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
59.01384	7.3
61.98832	100.0
69.65784	2.8
71.01382	3.5
72.99306	0.5
73.02966	1.1
85.02956	0.9
87.00883	1.9
88.98817	1.9
89.02461	2.2
93.03458	8.2
97.02973	0.6
98.02495	0.4
98.99449	0.4
99.04520	1.3
101.02457	2.4
106.68523	0.4
108.02184	3.5
109.02958	0.8
113.02473	0.9
117.03428	0.7
119.03513	0.9
119.05050	0.6
120.01223	0.4
121.02940	0.6
124.81639	0.4
125.02489	2.2
130.08809	0.5
135.04546	1.3
136.04881	0.5
137.02452	17.8
145.02989	2.1
146.03316	1.6
147.04573	0.7
149.00948	0.7
149.06110	0.9
152.01160	5.6
153.01991	0.7
161.02437	0.8
161.04599	1.0
163.04047	0.9
165.05598	0.5
166.00975	1.1
179.03545	0.6
181.03316	1.1
193.05049	0.7
255.10208	0.9
299.09344	1.3
334.47562	0.4
343.08469	1.0
384.89764	0.4
430.14047	2.2
431.11655	5.8
431.22556	0.7
450.87332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50814	0.4
57.03447	1.3
59.01380	100.0
60.01712	1.6
60.08176	0.3
61.01779	0.4
70.50138	1.1
70.56194	0.3
71.01387	5.4
73.02946	3.2
83.01385	0.8
83.81432	0.3
85.02959	1.6
86.50261	0.3
87.00874	0.6
89.02440	2.2
90.89112	0.4
95.01385	0.4
99.00847	0.5
101.02451	3.9
113.02445	3.0
119.03483	0.5
125.02442	0.8
135.04544	0.8
143.03514	0.5
152.08334	0.4
153.09190	0.4
154.09605	0.4
161.04579	1.1
165.09180	0.5
181.08707	0.4
207.14043	0.5
225.14944	1.0
245.76445	0.4
250.71135	0.3
255.51384	0.3
291.16214	0.4
369.19272	1.8
387.20142	0.9
388.20349	0.4
429.21249	0.5
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
55.01868	0.6
57.03448	1.1
59.01380	100.0
60.01716	1.4
61.98823	0.4
62.13610	0.3
69.30330	1.0
69.30754	2.7
71.01388	8.8
72.55701	0.4
72.99307	0.9
73.02948	6.6
81.03445	0.3
83.01394	2.2
85.02950	3.2
85.45482	0.3
87.00873	1.0
89.02446	4.7
95.01402	0.7
98.19892	0.8
99.00902	0.8
101.02446	7.7
101.03077	0.5
102.02788	0.4
103.00368	0.5
112.98798	0.5
113.02448	4.0
119.03504	1.3
123.04585	0.4
126.73151	0.3
131.03493	0.9
135.04549	1.2
143.03503	1.0
151.11241	0.5
161.02467	0.5
161.04562	3.1
163.04045	0.4
163.11314	0.9
164.62320	0.4
175.04004	0.4
179.03491	0.8
179.05623	0.8
181.12384	0.7
189.12894	0.5
192.04297	0.6
205.12408	0.9
207.06670	0.8
207.13927	0.9
215.97350	0.4
223.13524	0.7
225.14999	1.6
302.79028	0.4
350.81036	0.4
359.24390	0.4
366.62796	0.4
369.19263	1.2
387.20221	1.8
429.21579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01706	0.8
70.12862	2.6
71.17907	0.6
91.04017	1.0
106.26402	0.7
112.51115	0.7
113.68154	0.6
200.32146	0.6
249.19406	0.7
277.21988	0.8
295.22748	10.6
295.25784	0.7
296.23108	0.9
429.30182	1.4
430.30334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3007
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
55.81725	0.4
59.01373	2.3
61.98853	0.6
62.75598	0.5
67.02001	0.5
69.86333	0.7
69.86734	1.7
71.45127	0.5
74.77950	0.4
83.45246	0.4
108.30775	0.5
129.09499	0.4
134.09488	0.6
135.44501	0.5
310.45697	0.5
317.24844	2.1
359.91678	0.6
371.59653	0.5
429.30096	100.0
430.30469	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.1
71.01384	0.1
71.42800	0.2
71.43140	0.1
81.04356	0.1
81.55431	0.1
96.65862	0.1
99.00900	0.1
99.92583	5.0
99.93239	0.2
100.92637	0.4
100.93361	3.5
101.13713	0.1
101.72508	0.1
101.93379	0.2
104.81143	0.1
106.21670	0.1
113.92597	0.2
115.92076	100.0
116.92080	6.3
116.92864	6.5
117.92540	0.4
132.92357	1.1
142.94435	0.3
155.95180	0.2
172.95468	4.7
173.95570	0.3
196.65135	0.1
216.42342	0.1
255.23311	0.7
355.04800	0.1
355.15875	0.8
356.16336	0.1
371.15274	0.3
381.17435	1.0
382.17606	0.2
411.18716	0.2
429.19476	3.7
430.19797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21867	0.4
56.33369	0.4
59.01379	100.0
59.68631	0.3
60.01710	1.1
62.80768	0.3
69.38689	0.3
69.39316	2.8
71.01379	2.9
73.02955	1.1
74.00059	0.3
83.01410	0.6
85.02956	1.3
87.00896	0.7
89.02438	1.0
96.96015	0.5
101.02415	2.1
107.04964	0.4
113.02473	1.5
113.80194	0.4
119.03535	0.4
119.05038	1.3
130.99886	0.4
135.04532	1.1
151.03983	0.4
161.04501	0.7
161.09760	0.6
163.04048	1.3
179.03497	0.6
195.72043	0.4
213.54944	0.3
221.58205	0.4
223.13449	2.3
267.12436	2.2
369.19409	0.6
387.20340	1.3
429.21548	0.7
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
53.44208	0.6
59.01379	100.0
60.01715	1.5
69.67789	3.3
69.68129	0.6
71.01377	1.7
73.02949	1.5
74.29002	0.4
89.02428	0.7
98.19881	1.1
101.02458	1.5
161.04604	0.7
180.58611	0.5
200.86522	0.5
207.13936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06895	5.1
51.92951	5.4
52.75580	5.3
54.23208	5.7
54.82380	5.0
59.01376	41.3
61.98820	13.7
68.99817	25.8
71.01365	6.4
73.02944	21.2
75.00896	6.6
77.68730	5.6
85.02939	7.5
91.47641	5.3
99.00883	100.0
101.02449	19.1
112.98838	8.7
113.02450	7.6
125.99587	6.2
141.01924	16.0
167.10764	61.9
172.06137	5.5
195.62755	6.1
247.13109	6.5
261.06186	6.2
276.83939	6.2
311.22278	10.7
325.45636	6.4
334.60562	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03450	1.7
58.00597	0.6
58.67139	0.4
59.01379	100.0
60.01710	1.7
69.03463	0.6
69.53130	3.3
71.01384	11.4
71.01762	0.8
72.99316	1.2
73.02941	5.1
73.03288	0.5
83.01396	2.7
85.02945	4.3
87.00886	3.2
89.02448	6.6
95.01400	0.7
97.06606	1.7
99.00918	0.6
101.02438	8.2
101.37380	0.4
107.05037	3.8
113.02433	6.2
119.03502	2.9
119.05110	0.4
120.05858	0.4
135.04500	3.1
137.99539	0.5
143.03474	0.5
152.04825	0.7
152.99527	0.4
159.03017	0.7
161.04535	3.9
161.09718	3.4
161.13380	1.1
163.11295	1.5
179.05624	1.1
187.11301	4.2
189.09171	1.3
189.12915	1.3
205.12379	2.1
207.10294	1.7
207.13893	3.9
223.13388	20.7
223.15594	1.0
224.13759	2.0
225.14989	1.3
229.12299	0.5
249.11342	2.1
267.12354	17.8
268.12704	2.2
369.19250	0.7
387.20331	2.9
429.17706	1.8
430.17844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03436	4.1
58.00592	1.2
59.01379	100.0
60.01721	2.1
65.03960	1.3
65.05794	0.8
67.01900	1.2
69.41937	8.1
71.01384	12.2
71.05018	1.0
72.99324	1.8
73.02937	3.1
78.56339	0.8
80.45180	0.9
81.29160	0.8
83.01391	2.8
83.04994	1.7
85.02940	5.0
87.00882	7.8
87.48887	0.8
89.02441	12.7
91.01924	1.2
93.03452	1.5
95.01378	0.9
95.05009	1.0
96.53952	1.1
97.06599	6.0
98.20586	1.4
99.04544	0.9
101.02444	5.8
103.00374	1.9
107.05031	13.6
109.02955	13.1
112.98830	1.2
113.02442	8.0
116.29451	0.9
119.03483	2.9
119.05025	15.5
120.05846	1.0
121.03007	0.9
124.37615	0.9
131.72897	0.9
135.00888	6.2
135.04538	6.9
141.05536	1.3
143.03529	1.3
146.07266	0.9
151.11220	1.0
152.04863	1.1
153.01939	38.3
154.02249	1.8
161.02377	1.7
161.04553	2.7
161.09703	9.5
161.13315	3.0
163.04037	11.1
163.11256	1.4
179.03467	2.3
179.05669	1.2
187.11266	12.4
188.11621	1.0
189.09232	4.9
203.10794	1.7
205.12234	4.7
207.10254	3.9
209.61284	1.0
223.13383	65.0
224.13831	5.9
229.12378	1.2
249.11279	7.3
260.32718	1.0
267.12360	68.1
267.15652	2.6
268.12610	5.3
297.16968	2.5
309.13290	1.8
429.10086	1.6
429.17288	9.5
430.17462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.2
68.99807	1.9
69.48362	8.7
71.01363	3.2
72.99307	8.4
73.02950	2.0
84.99319	8.4
85.02969	2.0
87.00873	7.9
101.02460	1.9
104.69780	1.2
111.00861	1.4
112.98810	100.0
113.02426	1.4
113.99108	2.3
117.03441	5.7
119.52652	1.2
119.58579	1.1
121.02958	25.7
126.17033	1.1
127.00319	2.5
132.02185	2.9
133.02922	1.2
134.03741	67.6
135.04617	8.8
137.02489	2.2
140.12033	1.2
147.04547	1.6
149.06084	16.4
151.04042	1.5
158.09573	1.3
160.01660	13.8
161.02434	5.3
162.03188	8.9
163.04010	24.0
175.03975	17.4
177.05557	3.5
178.02713	8.7
190.02707	9.7
191.03325	1.5
191.07118	3.9
193.05049	47.1
194.05339	4.2
202.02724	2.5
205.05048	5.7
219.06555	2.6
230.02190	4.0
233.02303	2.2
233.04549	38.0
234.04814	2.1
235.06107	2.9
245.04572	5.7
289.03506	4.5
307.04568	40.6
308.04922	4.6
429.21011	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	429.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
58.00587	0.4
59.01091	0.9
59.01381	15.7
61.60831	0.4
66.24538	0.4
69.69034	2.0
69.69440	0.6
71.01388	5.1
73.02943	0.9
81.59538	0.4
83.01391	0.8
85.02959	1.8
87.00881	0.6
89.02442	3.6
99.00894	0.4
100.76474	0.5
101.02444	3.3
103.00414	0.6
113.02454	1.9
117.03467	25.6
118.03796	1.2
119.03519	0.8
119.05033	11.8
120.05384	0.9
121.05082	1.9
133.02931	3.8
133.06602	0.6
135.04546	1.1
145.02954	100.0
146.03281	5.6
161.02446	11.3
161.04559	0.6
161.06116	1.3
162.02948	0.7
162.06303	0.5
163.04007	19.9
163.05379	1.0
164.04335	1.1
179.03473	1.1
205.05061	1.8
235.06119	0.9
265.07169	1.3
307.08231	0.7
429.14001	52.4
430.14270	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62885	1.4
59.01381	100.0
60.00736	1.3
61.98831	4.5
71.84495	1.3
80.64928	1.3
96.96008	2.3
99.92567	2.6
118.89970	2.4
120.46761	1.5
120.89708	2.4
133.02992	1.4
194.58279	1.5
237.66226	1.6
293.21262	7.1
428.10446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98830	6.2
62.51907	2.6
71.44877	2.3
75.92382	2.4
98.19788	6.9
135.04530	3.7
169.51677	2.4
206.52715	2.3
275.20224	6.6
293.21082	4.1
427.28937	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01723	1.7
61.98833	1.1
70.74414	1.1
70.74773	1.4
93.78239	0.5
100.99934	0.6
125.02429	0.6
187.04532	0.7
196.35342	0.7
293.21289	5.6
299.30859	0.6
345.48892	0.7
386.49988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09842	0.9
59.01389	6.7
61.98832	11.7
69.49500	2.1
69.49899	7.2
71.01373	3.3
72.00906	1.9
76.03125	0.9
78.95927	1.0
85.02961	2.0
86.02500	5.1
87.00881	4.6
89.02454	3.0
96.95985	1.4
98.02473	1.7
98.20653	2.1
99.00867	2.3
101.02457	2.8
104.03536	38.2
105.03918	1.4
109.02932	3.3
113.02426	1.3
120.01234	2.0
121.02966	1.8
123.04509	1.5
128.03508	1.1
130.01459	56.9
131.25374	1.1
133.02965	11.9
134.03716	1.5
134.04710	0.9
135.04523	85.0
136.04858	3.2
145.02943	1.4
147.04504	3.3
149.00906	2.7
159.04489	1.2
161.02440	100.0
162.02751	6.3
163.03963	1.7
163.07613	1.0
164.07159	5.2
173.06010	2.1
178.05049	3.8
178.06479	1.1
179.03534	2.0
189.05602	1.4
191.07166	4.5
207.11292	1.2
226.01688	1.2
239.65974	1.1
259.10858	1.5
266.06665	86.0
267.06985	5.5
297.06290	1.7
297.09833	1.4
308.07733	2.1
383.15378	2.2
428.11926	78.3
429.12244	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	425.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00792	1.0
55.01842	1.4
59.01365	3.6
61.98822	2.3
68.56001	1.2
69.04982	1.1
69.90319	4.3
87.00866	2.7
99.00883	4.2
102.16364	1.2
116.54494	1.2
130.66722	1.1
134.03752	4.2
138.81572	1.1
149.00894	1.3
176.04770	2.6
190.66585	1.1
202.74635	1.1
205.08777	1.8
217.15976	1.6
231.10237	1.7
245.18967	1.4
249.11299	3.0
289.25421	2.9
293.10330	3.9
309.64886	1.4
315.23019	1.3
333.24341	100.0
334.24683	15.4
351.25375	15.6
381.30087	10.4
382.30316	1.8
425.29193	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06470	2.1
59.01099	2.3
59.01379	30.0
61.98831	100.0
69.69641	10.3
92.50208	2.2
98.20594	3.1
134.05208	2.3
145.71930	2.1
163.80458	2.2
192.44234	2.5
242.89188	2.2
245.70465	2.4
340.25549	2.4
427.28387	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73183	0.6
51.78962	0.5
55.01873	0.7
57.03457	1.0
59.01380	100.0
60.01715	1.6
63.60566	0.5
69.51234	4.0
70.76466	0.5
71.01386	14.9
71.01764	1.0
72.99301	0.7
73.02947	7.6
83.01410	2.8
84.50321	0.5
85.02953	4.3
87.00891	0.9
89.02448	3.5
95.01391	1.5
97.02973	1.3
99.00922	0.9
101.02452	8.2
109.06628	0.6
113.02452	8.6
113.06094	0.5
119.03520	1.6
123.08175	0.9
125.02441	0.8
125.06097	1.1
131.03506	0.7
134.03743	0.8
135.04507	1.0
136.05350	1.4
138.06862	5.0
139.07693	1.3
151.07681	3.1
152.08432	14.8
153.09216	25.8
154.09572	1.6
161.04561	3.6
169.39453	0.6
187.11275	0.7
190.10033	0.9
205.12331	13.0
206.12743	1.1
223.13380	3.7
250.75339	0.5
254.92564	0.6
295.10938	0.8
316.79465	0.5
367.17606	8.4
385.18695	1.4
416.43723	0.5
427.20010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65810	2.7
55.12478	2.8
59.01383	19.4
61.98832	100.0
68.31318	2.4
69.75881	16.4
74.02462	14.6
95.23205	3.0
99.77015	3.1
136.02316	2.8
138.06506	2.8
305.21381	2.8
334.23904	4.6
364.25009	18.1
365.25302	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74936	1.3
54.98268	1.1
59.01379	100.0
61.66100	1.2
61.98820	4.9
70.63334	1.3
70.63667	3.3
70.69944	1.3
79.89777	1.3
83.12844	1.3
84.63667	1.1
91.06203	1.1
93.15068	1.1
96.95998	2.1
99.92572	3.1
113.09669	1.4
118.90041	1.7
120.89693	2.6
138.81551	1.2
171.03061	1.5
196.64037	1.2
275.51843	1.3
293.21112	7.4
424.46417	1.3
427.28879	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08488	0.8
52.65900	0.7
53.90628	0.7
59.01379	100.0
60.01725	2.1
61.98831	0.7
62.71329	0.8
69.89005	1.3
69.89413	2.7
116.99261	0.8
163.14377	0.7
192.56032	0.8
293.21210	5.5
317.15204	0.7
364.39395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52762	0.9
57.03448	1.3
59.01383	6.5
61.98838	5.7
71.01373	0.9
71.01931	0.9
71.61218	1.3
76.45805	1.0
77.43007	1.0
78.95904	1.1
83.04988	1.1
87.00896	3.0
96.96018	1.3
106.92899	1.2
121.02937	1.1
130.99866	1.1
133.02977	0.9
134.03748	7.3
135.04486	1.4
136.01656	1.9
137.02406	1.7
149.00923	2.9
176.04794	1.5
183.13901	11.1
190.80022	1.1
193.12288	2.2
195.13908	24.2
196.14230	1.2
205.08838	1.0
211.13393	34.6
212.13770	2.5
213.15001	8.4
223.13190	1.3
231.10289	2.0
249.11293	3.8
293.10352	5.1
309.27942	1.0
315.27087	2.1
359.25937	3.0
377.26736	3.2
425.29099	100.0
426.29416	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	425.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80440	0.9
59.01378	4.6
64.91113	0.9
66.41857	0.9
67.17180	0.8
70.52944	3.0
71.01362	1.0
71.05063	0.9
83.05013	1.1
87.00893	2.9
103.00319	1.1
134.03752	8.1
135.04483	2.6
136.01657	1.2
137.02423	1.0
149.00929	3.4
151.03989	1.3
176.04767	1.3
177.01639	1.3
177.09210	1.8
178.02751	1.5
179.03600	1.0
183.13863	11.1
186.29987	1.2
187.10715	0.9
193.12286	1.8
195.13905	23.3
196.14252	1.2
205.08623	1.8
211.13391	31.9
212.13721	3.7
213.14977	10.7
231.10149	2.4
249.11220	4.8
275.09378	1.6
293.10196	3.5
315.27042	2.2
356.14105	1.0
359.25961	2.9
377.26859	3.6
407.28033	1.6
425.29077	100.0
426.29449	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90936	0.8
69.91347	1.4
75.76659	0.4
78.95907	13.2
98.19892	0.5
104.97459	1.0
106.24167	0.4
110.98532	9.3
148.48058	0.4
159.10272	0.4
167.01146	12.7
185.02179	2.7
216.38733	0.4
255.23289	100.0
256.23611	11.7
423.25177	16.7
424.25760	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51079	0.4
51.07198	0.4
70.21692	1.8
73.30693	0.4
74.86292	0.3
78.95905	7.5
85.65127	0.4
88.67409	0.4
97.31445	0.4
110.98528	5.9
113.01184	0.4
167.01144	6.8
173.15784	0.5
185.02202	3.4
221.30598	0.6
222.72733	0.4
255.23296	100.0
256.23654	10.1
291.87207	0.4
381.98663	0.4
423.25165	12.7
424.25577	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.9
61.95459	0.3
61.98797	0.3
70.74352	0.5
71.01379	2.0
72.99322	1.8
72.99669	0.3
75.97387	0.3
87.00878	10.9
95.01393	0.5
98.06125	1.2
103.00381	1.5
108.02106	0.3
112.37321	0.3
112.98815	2.3
116.07176	14.8
117.03471	9.0
117.07552	0.3
118.03840	0.4
119.05009	2.1
121.02979	0.5
122.03687	0.3
130.99872	1.0
133.02983	0.6
134.03745	3.0
135.04523	1.1
136.01656	4.7
137.02422	1.4
140.07219	1.6
145.02954	100.0
146.03282	5.9
147.04521	0.9
148.05316	0.7
149.00916	9.9
149.06082	0.5
151.04015	0.5
151.07603	0.7
153.84203	0.3
157.05290	0.3
158.03708	2.2
159.04501	3.2
161.02448	0.7
162.03221	0.3
162.06769	0.3
172.05313	1.0
173.06087	1.8
174.06882	1.1
175.03990	0.9
175.07605	2.2
176.04793	11.5
176.07043	1.9
177.09206	17.8
179.07269	0.4
187.04053	0.9
187.07648	13.5
189.09235	0.4
190.06366	1.5
201.05534	1.3
201.09224	1.6
202.06363	4.6
202.74040	0.3
203.10823	2.6
205.08688	17.8
213.09215	1.3
215.07007	0.4
219.10245	2.0
224.34781	0.3
231.06721	0.5
231.10260	14.7
233.08153	2.1
249.11313	51.2
262.10837	53.2
263.11209	5.1
275.09250	26.1
292.09180	0.3
293.10324	21.6
304.11951	0.9
391.57684	0.4
424.16122	7.7
425.10834	3.5
425.16464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88993	0.5
57.16020	0.4
59.01381	100.0
60.01720	1.1
61.98832	31.5
66.62909	0.4
66.65098	0.5
71.01395	1.4
71.11216	0.9
87.00880	0.8
96.96032	0.9
100.63934	0.4
110.04044	0.4
134.03717	1.0
176.04730	0.5
177.09119	0.6
231.10191	0.8
249.11333	1.1
262.70355	0.5
280.45297	0.4
395.01895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	8.2
69.31373	34.0
72.99306	11.5
78.95896	9.6
84.99357	7.8
87.00877	14.6
93.03413	3.7
96.96971	15.7
99.13985	3.8
112.98816	89.6
117.03452	7.5
119.05029	100.0
120.05340	3.9
124.03558	3.3
127.00383	8.9
134.03682	5.5
135.04552	5.7
143.05087	5.5
145.02971	36.3
147.04527	31.8
149.00885	10.3
161.06102	4.2
163.04021	69.2
164.04358	6.0
175.04015	17.4
189.05489	6.1
203.03523	59.2
215.03537	16.0
233.04495	4.7
259.02435	8.4
277.03543	57.9
278.03720	5.3
293.10324	7.2
341.71027	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82887	0.9
59.01381	8.9
60.11749	1.0
70.92899	1.6
70.93225	1.5
71.01379	3.9
72.99305	2.8
81.57750	0.9
87.00877	19.6
87.01365	1.9
99.87186	1.0
100.35809	1.2
100.58009	1.0
103.00375	2.1
104.03549	0.9
112.98814	4.1
116.07179	2.0
117.03414	1.2
120.72265	1.0
130.99875	1.6
134.03740	4.0
135.04544	1.2
136.01651	3.7
137.02441	1.4
145.02959	13.1
146.03221	7.5
147.04536	2.3
148.05281	1.3
149.00905	13.8
149.06041	1.0
158.03752	4.0
159.04550	5.9
161.02434	2.3
172.05240	1.0
173.06073	2.1
174.06874	2.0
175.03932	2.4
175.07574	2.9
176.04776	24.2
177.05257	1.1
177.09216	39.1
178.09564	2.7
187.04019	1.4
187.07645	24.4
188.07964	1.5
190.06363	2.8
201.05602	2.1
201.09187	1.5
202.06358	9.0
203.06862	1.1
203.10742	4.1
205.08675	31.8
206.09059	3.2
213.09114	2.4
219.10205	1.8
231.10263	23.5
232.10640	2.4
233.08179	2.9
249.11308	100.0
250.11623	10.9
262.10953	4.7
263.11194	9.2
275.09229	40.8
276.09558	4.1
293.10284	28.9
294.10831	2.2
425.10818	4.4
425.16220	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
57.03445	1.4
59.01384	10.0
63.48575	1.0
68.99817	4.4
70.45461	0.9
71.01382	31.7
71.61214	1.7
71.92936	0.9
72.99294	3.0
73.02963	2.1
75.00876	9.8
77.61823	1.3
83.01379	3.8
83.43424	0.9
85.02950	2.7
86.02488	2.6
87.00872	3.7
89.02444	7.1
93.00345	1.0
99.00883	26.0
101.02441	17.8
103.00368	1.3
117.01878	1.7
119.03489	4.5
129.01956	6.9
134.03723	4.2
135.04570	1.3
135.71692	1.1
144.02031	1.1
147.02998	98.8
148.03319	3.2
149.00969	1.0
151.04053	1.1
163.11290	1.6
165.04106	1.9
175.74963	1.0
185.03008	1.1
205.08569	1.1
231.10214	1.4
248.67546	1.1
249.11256	2.3
277.21716	100.0
278.22119	12.2
278.25046	1.9
293.10104	2.2
337.21609	1.1
338.22134	6.4
344.44092	1.1
355.32318	1.2
406.15454	1.0
425.25443	21.2
426.25839	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	423.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58088	21.0
57.90310	21.6
59.01377	70.6
69.73518	100.0
69.73953	35.6
71.01387	28.0
87.00886	57.8
89.02447	21.1
99.37237	21.6
119.52061	25.9
138.05589	38.6
145.02946	26.3
149.00926	74.9
165.05569	41.1
169.79947	21.5
172.78046	21.9
203.07066	35.4
221.03214	23.0
247.09764	53.0
291.08710	80.6
364.40131	25.6
423.17831	49.6
423.26129	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47044	0.6
53.78011	0.5
70.92213	1.4
78.95904	8.1
85.30759	0.6
100.94788	0.5
110.98524	5.2
121.02962	10.6
134.03725	2.0
139.12042	0.6
163.11319	0.8
167.01144	5.0
185.02155	2.5
205.05377	0.5
255.23286	100.0
256.23596	9.2
293.15439	0.5
301.21756	1.4
328.69339	0.6
423.25308	21.5
424.25558	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	421.2595
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03456	1.2
59.01382	2.9
69.03445	2.0
70.15205	3.0
71.05017	1.6
82.66195	1.0
83.05029	5.9
85.06590	3.2
97.06591	2.9
98.20506	1.4
105.07080	1.1
107.05062	1.1
107.08704	1.3
109.06573	1.9
111.08160	3.9
119.05063	1.6
123.08181	1.7
125.09747	11.9
127.05135	2.5
137.09756	1.3
145.06168	2.1
147.50775	1.0
148.74146	1.0
162.83925	1.0
171.10277	24.1
172.10683	1.9
183.13869	1.1
185.11865	1.1
187.14966	1.1
189.16438	1.5
200.88655	0.9
205.15987	4.1
209.11833	3.6
211.13397	6.4
215.14394	2.3
219.10249	1.1
221.15428	2.0
231.13916	3.6
233.15472	32.4
234.15761	3.0
239.16513	1.2
249.14961	12.3
251.16414	2.1
257.17514	2.4
283.19257	1.3
331.26434	2.6
332.26563	1.1
341.24844	1.8
359.25937	1.4
375.25354	1.8
377.27124	1.9
385.23892	6.8
393.26358	1.8
403.24887	58.8
404.25177	8.9
421.26010	100.0
422.26352	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	422.136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04765	0.5
59.01383	3.1
61.98826	1.5
70.08875	2.1
71.01393	1.0
71.02506	1.6
72.00881	1.1
72.99287	0.8
80.02634	0.6
81.02181	0.8
82.02984	1.8
83.02513	2.2
84.00912	2.7
87.00887	1.9
96.00916	6.6
96.96007	0.7
98.02484	5.0
99.01999	6.0
103.00388	0.8
109.04108	1.2
110.02477	5.1
112.04029	1.5
112.98788	1.5
116.05048	1.8
118.06622	2.3
119.05017	1.3
120.04557	20.6
121.04868	1.6
123.03252	1.3
125.03561	1.5
133.02930	1.4
134.03709	0.8
135.04510	2.6
143.05038	2.6
147.04536	8.6
149.00925	1.3
153.03011	1.6
157.06581	3.6
157.81343	0.5
160.04044	1.1
161.02505	0.8
161.92531	0.6
164.05843	1.0
164.07162	17.3
165.03050	0.5
165.07553	0.8
166.03769	0.7
171.08168	1.4
171.10399	0.5
172.07660	1.0
179.03540	1.4
185.06111	0.6
197.06036	1.8
199.06381	5.1
200.07048	1.6
203.08273	2.3
214.08734	6.6
239.08295	1.9
240.06712	1.3
257.03589	0.5
257.09302	9.5
258.09589	1.0
301.08289	100.0
302.08597	12.2
422.13574	14.6
423.13882	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22757	0.5
73.97182	0.5
78.95907	30.2
98.20734	1.0
110.98536	49.9
152.99596	4.5
167.01199	1.7
185.02200	100.0
186.02568	3.0
222.26482	0.6
247.42311	0.5
253.21730	25.3
254.22038	3.2
266.04346	0.6
304.71725	0.6
391.98352	0.6
405.82858	0.7
421.23672	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	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16031	2.1
59.01370	5.9
61.58663	2.5
61.98822	6.2
69.85567	2.4
72.58467	2.1
88.98819	9.2
96.96005	4.8
97.06566	2.1
121.02946	3.8
123.08183	3.0
125.09754	13.6
171.10208	2.6
189.16557	3.0
209.11690	4.4
211.13394	5.6
215.14388	3.8
233.15479	67.3
234.15942	5.2
249.15016	3.2
251.16501	4.6
255.95317	2.2
259.35303	2.2
292.05618	3.0
331.26477	3.9
333.59750	2.7
375.25241	2.6
385.23718	8.1
393.26205	4.2
403.24893	100.0
404.25327	14.5
421.26303	18.6
422.26123	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	421.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26073	0.8
55.01875	7.6
57.03453	6.4
58.00589	1.9
59.01381	46.4
60.01687	0.8
61.98827	1.4
63.54660	0.7
67.01911	0.8
68.99802	1.1
69.03445	2.7
69.37222	6.5
71.01383	100.0
72.01717	2.2
72.99311	6.6
73.02947	37.6
74.03313	1.0
75.00864	2.8
78.68361	0.7
81.03479	1.6
83.01389	13.8
84.02198	1.0
85.02951	42.8
86.00130	0.9
86.03308	0.8
87.00877	6.1
89.02448	25.0
89.65067	0.8
95.01395	8.0
96.95975	0.8
97.02956	5.1
98.19787	1.5
99.00880	21.9
99.04535	1.5
101.02444	67.1
102.02807	2.0
103.00352	1.2
109.02913	0.9
111.00875	1.5
112.98784	1.9
113.02448	37.3
114.02778	1.5
115.04012	3.9
115.29308	0.9
119.03451	1.0
119.05002	1.3
125.02442	8.0
127.11289	3.0
129.01932	2.0
131.03500	5.4
133.02986	1.0
134.03716	1.7
135.04539	7.1
143.03520	4.8
143.04544	1.0
147.04518	1.2
149.00914	2.6
149.04573	2.8
159.03000	8.1
159.04291	1.2
161.02432	1.8
161.04562	40.1
163.04034	1.9
171.04588	1.1
173.04602	0.9
179.03485	4.0
183.13947	2.0
187.07704	0.8
191.05592	2.3
202.76910	0.8
205.03445	2.2
211.13412	0.8
219.03000	1.6
227.12903	1.2
233.06639	7.8
243.03008	1.0
289.16562	60.6
290.16891	4.9
293.02841	1.6
293.08835	2.6
381.90082	0.8
421.20786	80.1
422.21060	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	421.2078
Annotation	1-Octen-3-ol-3-o-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.86215	0.6
55.01878	6.1
56.67530	0.5
57.03440	6.1
57.71151	0.7
58.00594	2.9
58.81312	0.5
59.01381	73.9
60.01706	1.4
69.03458	2.3
71.01383	100.0
71.05010	0.6
71.62525	0.8
72.01724	1.7
72.99309	6.0
73.02949	24.7
74.03941	0.5
75.00869	0.9
81.03464	1.5
83.01391	13.9
85.02952	35.8
86.00091	0.7
86.03306	0.9
87.00879	6.1
89.02447	56.1
89.56850	0.5
90.02772	0.9
95.01389	4.5
96.96067	0.8
97.02966	4.3
99.00882	10.8
99.04493	1.0
101.02444	63.8
102.02832	1.4
103.00403	0.7
109.02950	0.8
111.00881	7.5
112.98783	1.0
113.02451	27.6
114.02817	0.9
115.04028	1.7
119.03488	2.7
119.05044	0.6
124.87565	0.5
125.02454	10.0
127.11314	1.5
129.01939	1.9
131.03503	27.8
132.03839	0.7
135.04549	2.8
141.01921	0.8
143.03508	3.9
147.04494	0.7
149.00905	1.0
149.04552	14.5
150.04799	0.9
159.03032	3.9
161.02521	1.0
161.04550	28.0
162.04922	1.4
164.07253	0.8
173.04565	0.6
179.03418	1.2
187.06091	0.9
187.07747	0.5
191.05672	3.5
191.07118	0.6
200.08459	0.5
203.03621	0.5
215.05576	0.9
219.02950	0.6
233.06630	5.8
249.07466	0.6
289.16568	36.1
290.16962	3.9
293.08859	2.1
377.19019	1.7
421.20773	45.6
422.21149	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70544	4.5
57.03397	7.2
58.57026	4.9
59.01377	100.0
59.55798	5.4
61.98825	20.1
68.14551	4.3
69.52129	40.2
71.01383	32.0
72.02194	4.9
72.99310	10.7
73.02940	8.7
85.02928	9.5
87.00891	17.8
89.02428	10.7
99.04514	5.2
101.02429	22.2
103.00319	6.4
109.85911	5.0
111.00829	9.3
111.89854	5.0
113.02459	10.1
114.13772	5.0
116.92847	6.4
117.93993	4.7
118.96712	5.0
135.04529	62.4
137.02417	6.4
145.03018	5.7
146.08212	15.0
149.00900	18.6
150.03200	5.1
159.91913	5.0
161.02454	11.2
161.04672	7.6
163.04062	13.5
165.05441	5.4
172.08789	11.2
174.03224	6.3
179.03416	11.8
190.05150	5.5
206.04550	6.1
219.02962	6.7
259.15408	8.9
289.07108	15.0
302.37222	6.4
313.77133	6.7
361.14706	6.9
377.18146	29.4
379.15891	7.2
421.11179	11.2
421.16302	92.4
421.20737	8.3
422.05399	11.7
422.16318	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	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98812	28.9
71.01363	30.9
71.53570	13.5
73.02948	10.8
77.43584	7.5
85.02926	12.3
87.00877	16.5
89.02427	21.8
97.05463	7.6
101.02480	16.7
113.02444	13.1
124.83739	9.3
128.51143	7.7
135.04530	54.9
149.00894	22.1
161.04541	9.3
176.17409	7.4
176.54477	7.6
213.09183	14.5
222.72125	7.2
237.99463	8.1
241.07536	7.6
245.08192	9.5
260.09094	8.6
277.77798	9.5
289.10690	11.0
343.89035	9.0
346.11319	8.7
371.02731	8.7
377.18213	31.1
404.18478	9.0
421.16171	41.6
421.20370	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	420.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48948	0.4
52.67984	0.4
54.36477	0.3
55.46834	0.4
57.03429	0.5
58.71078	0.4
59.01378	9.0
60.92181	0.4
61.69230	0.3
61.98829	100.0
71.01395	2.6
73.02956	1.4
85.02961	0.9
85.44622	0.4
87.00887	1.1
89.02448	1.6
99.00858	0.8
101.02426	1.8
103.00383	0.5
109.02966	1.3
112.98780	0.5
113.02444	1.1
119.05019	0.8
130.99942	0.5
133.02968	0.5
134.03729	0.9
135.04518	9.8
136.04871	2.4
137.02466	0.6
138.05620	0.5
139.00372	0.4
143.03526	0.4
147.04552	1.5
149.00935	1.8
149.02411	0.5
149.06226	0.4
150.03278	0.6
151.04021	0.6
153.01933	0.6
159.04585	0.5
161.02477	0.6
161.04539	0.9
163.03897	0.5
165.05547	0.7
179.03531	1.2
195.06624	0.5
199.46584	0.4
201.09265	0.7
216.04242	0.5
223.06079	0.5
225.05602	0.6
226.05969	1.1
245.08490	0.4
269.08224	0.8
288.15387	1.2
289.07309	0.5
325.90335	0.4
339.11035	0.5
348.05975	0.4
361.14322	0.4
379.15985	0.9
383.09668	0.5
384.10342	0.6
420.04105	0.8
420.09430	0.6
421.16571	1.1
421.21536	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	421.1284
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
51.20396	0.8
57.03452	0.9
59.01382	6.0
61.98832	6.3
63.34931	0.6
67.12544	0.7
69.57800	2.8
69.58220	2.2
71.01382	3.4
73.02936	1.9
75.00877	1.2
78.10562	0.8
78.91935	0.7
78.95934	1.0
85.02933	1.2
87.00845	1.0
89.02441	3.9
96.96009	1.4
96.96943	0.9
97.02972	0.9
101.02437	2.0
112.04083	1.2
113.02456	1.7
115.03992	2.5
119.03516	1.2
120.01253	100.0
121.01627	0.9
123.03256	0.8
125.09722	1.1
135.04526	1.5
138.05620	5.7
149.02361	0.8
151.80721	0.7
152.85204	0.9
153.05507	0.8
153.09178	1.1
155.57791	0.6
161.04611	1.0
165.09225	1.3
213.09227	1.4
259.15436	1.5
289.11002	0.9
300.10867	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.5
59.24394	2.6
61.98819	3.5
65.03954	7.4
65.81740	2.5
87.00871	5.8
93.03417	3.5
97.06579	7.2
107.05009	2.7
121.02961	32.7
123.08198	4.2
125.09753	18.5
161.13344	7.8
185.11870	21.9
187.14967	11.3
205.12344	39.2
221.15466	18.0
231.13919	17.1
233.11804	20.1
249.14917	27.5
271.59604	2.8
339.23419	4.4
357.24310	5.3
373.23837	2.8
375.21851	9.1
383.22433	13.8
391.24768	4.5
401.23306	99.0
402.23535	14.5
419.24396	100.0
420.24490	11.8
420.27542	11.8
428.03644	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2435
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
54.99934	2.1
59.01367	4.2
70.63670	1.9
71.61691	1.8
82.26981	2.1
83.05026	2.7
87.00911	2.3
94.12784	2.0
97.06583	3.1
102.70460	2.2
109.24323	2.0
121.02934	5.1
123.08132	4.0
125.09756	12.1
153.09213	2.3
171.10176	5.5
187.14854	7.0
231.13835	10.0
247.13448	11.1
249.14923	7.9
267.63870	1.8
273.14856	2.9
275.12924	5.3
316.50879	2.1
321.22302	3.2
339.23331	10.1
347.20181	3.3
355.22910	5.9
365.21234	3.6
383.22241	28.1
384.22693	4.0
401.23291	81.3
402.23499	14.5
419.24399	100.0
420.24307	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	420.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27567	0.2
59.01381	2.3
61.98832	100.0
69.50338	0.9
69.50761	1.1
71.01391	0.7
72.72670	0.3
85.02956	0.4
87.00883	0.7
89.02429	0.3
93.03493	0.3
101.02470	0.3
103.00381	0.4
105.21755	0.3
109.02961	5.6
112.98836	0.6
119.05041	0.8
129.09128	0.2
135.04562	1.5
146.03752	0.4
147.04504	2.9
148.04788	0.3
159.04520	7.7
160.04878	0.5
161.02457	0.8
163.04060	0.8
179.03493	1.3
213.09206	0.6
219.03017	0.6
239.07826	0.3
269.08182	3.4
289.07584	0.3
289.10876	1.1
293.03354	0.5
298.70847	0.3
313.07053	0.3
420.05826	0.6
425.82126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49310	0.9
58.02981	8.1
58.04859	0.9
59.01381	7.8
61.98822	3.1
64.48160	0.9
69.89951	2.9
69.90346	1.8
71.01386	5.6
72.00928	0.9
72.99318	1.2
73.02942	1.7
74.02475	19.7
82.02975	2.1
84.04546	1.4
85.02961	1.2
86.02481	5.9
87.00877	1.2
87.05624	3.4
89.02453	4.2
90.00205	1.6
97.02961	1.0
97.04086	1.4
98.20575	1.9
99.00917	1.9
99.05635	15.7
101.02428	4.9
101.07203	2.7
102.05611	2.3
109.04079	2.3
112.04060	2.0
113.02438	1.7
119.03522	2.1
123.05602	2.0
124.03987	1.2
125.02441	1.4
125.03551	1.3
127.05125	3.2
128.03537	44.6
129.03806	2.5
135.04643	1.1
135.05638	4.4
137.07191	1.2
141.06688	4.3
143.04619	61.3
144.04959	1.6
145.06160	2.8
146.04567	6.0
149.00983	1.2
153.06693	3.8
160.00763	13.9
166.09898	1.9
167.04622	3.8
167.08266	2.5
171.07710	1.5
177.03409	5.9
179.04610	11.8
181.06177	1.9
185.05722	2.0
192.07828	1.0
199.47908	1.0
210.08826	9.8
228.09921	1.0
254.07813	14.8
259.15628	1.4
272.08853	23.0
273.09192	1.1
288.06625	9.4
289.10867	1.7
306.07648	100.0
307.08023	7.3
316.63901	1.1
419.04578	1.3
420.13391	3.1
421.21265	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93683	19.8
59.01371	100.0
60.65997	21.1
61.98823	62.3
66.61049	21.3
69.60828	92.4
69.61234	46.3
87.00860	27.4
90.96564	25.3
106.66397	26.0
128.51408	21.2
128.86150	25.1
275.81665	24.2
375.20999	25.1
401.23236	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	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12747	11.5
50.58347	12.2
59.01376	24.1
61.98835	100.0
75.63660	9.8
84.47654	10.1
85.65221	11.5
88.09959	10.5
96.95999	11.2
161.02463	14.9
161.34210	10.7
182.16144	11.6
222.03755	13.1
237.53598	10.8
412.03516	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	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71009	18.1
52.56416	14.7
59.01371	36.8
61.86811	18.7
61.98836	30.4
69.86281	100.0
73.31496	17.6
80.96553	22.7
98.19957	28.6
145.03046	18.4
280.12085	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2439
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03409	1.6
59.01381	5.4
61.98806	1.2
65.03963	6.0
66.44933	0.6
71.01357	0.9
71.05016	0.9
77.61002	0.6
80.02638	0.7
83.05003	2.3
91.05537	3.4
95.05016	1.3
97.06608	4.6
98.19827	1.7
105.07075	2.1
109.06606	0.9
115.05507	1.7
117.07085	1.0
122.03703	1.0
123.08117	2.4
125.09726	15.3
126.10010	1.4
133.10216	1.6
135.04535	1.0
135.08195	0.8
153.09166	1.3
159.11765	1.7
161.09747	1.1
185.11777	2.0
187.14909	17.5
188.15279	1.1
205.16035	0.8
209.11798	3.7
213.12804	3.2
214.13280	0.8
221.15253	1.0
222.81836	0.7
231.13884	31.4
232.14217	3.1
235.13419	1.2
249.14948	13.3
250.12143	1.1
250.15176	1.1
251.55284	0.8
261.14828	0.7
265.37717	0.7
321.22183	1.1
329.24872	0.8
339.23151	1.5
357.24496	1.8
373.23770	1.2
383.22244	4.6
391.24982	3.2
401.23331	100.0
402.23694	18.4
419.24423	36.8
420.24698	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	419.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.7
57.03450	3.1
57.37632	0.6
59.01380	14.3
61.98816	1.8
63.12054	0.6
69.03477	0.6
71.00996	0.8
71.01379	10.3
71.05041	0.8
71.62119	0.9
72.99306	1.6
73.02953	4.7
74.12651	0.7
75.00855	0.7
83.01402	1.8
83.05025	1.0
85.02942	5.0
87.00876	2.9
89.02467	3.9
97.02979	1.2
97.06586	1.5
99.00854	1.3
101.02441	15.5
103.00394	0.7
111.08157	3.8
112.98801	2.2
113.02449	6.2
119.03516	2.5
119.05027	1.5
125.02484	0.9
131.03493	2.1
134.03746	0.8
135.04529	3.0
141.54465	0.6
143.03473	1.9
145.02927	0.9
149.00809	0.8
150.05603	1.6
150.06712	0.8
155.03519	0.8
161.02452	1.0
161.04553	3.5
163.04007	2.1
164.07175	1.0
165.12859	32.3
166.13173	2.6
167.14311	0.9
172.05534	0.6
179.03456	1.9
181.12469	0.8
183.13907	73.9
184.14221	6.0
191.05591	1.1
191.10876	0.9
195.13937	1.5
197.15488	5.7
198.15746	0.7
207.13910	8.3
209.11821	4.5
223.13499	0.7
225.14961	4.8
227.12885	100.0
228.13165	7.3
237.15002	1.0
241.14491	1.3
250.99506	0.8
251.12888	16.3
252.13229	1.6
257.76495	0.6
263.13089	0.8
269.13931	9.6
281.13986	1.7
287.09409	0.7
287.15002	2.0
287.18875	0.9
293.14020	3.1
298.91135	0.6
299.15015	2.5
329.16055	18.8
330.16501	1.8
351.42575	0.7
359.17035	1.5
419.21133	1.2
419.26422	3.6
419.30328	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	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38105	3.2
57.03448	7.0
59.01092	6.1
59.01381	100.0
61.98827	41.3
69.03465	4.0
69.38611	24.5
69.39017	7.2
71.01379	70.5
72.99306	13.0
73.02953	12.0
74.02457	6.5
75.00886	9.1
78.95930	4.0
82.02965	4.2
83.01377	5.8
85.02944	18.6
87.00875	20.8
87.04492	5.3
88.04050	4.0
89.02435	49.7
95.01418	5.4
97.02956	4.5
98.20584	6.9
99.00877	8.9
101.02450	44.4
103.00366	4.9
109.02969	5.0
113.02442	25.2
118.05089	3.9
119.03530	25.8
119.04952	4.1
121.02897	6.5
125.02453	7.5
125.06113	3.9
128.03569	6.6
134.03743	5.2
134.06076	3.9
135.04544	36.9
137.02435	4.4
139.07660	4.1
142.05101	9.3
143.03477	7.2
143.04568	7.2
146.03709	7.1
149.00868	6.4
150.06886	12.4
151.03969	5.6
152.01184	6.1
161.02426	10.3
161.04576	20.9
163.03949	20.5
164.04791	37.4
165.00139	16.0
178.06360	4.6
179.05579	11.0
179.07109	79.2
180.07550	4.0
192.99623	23.2
193.04973	3.6
195.08537	9.3
197.08260	5.0
208.00772	4.3
235.11491	4.1
257.08105	8.0
257.13849	4.9
333.73682	3.6
341.12369	5.7
357.11917	6.9
359.13309	4.7
375.16330	6.8
419.11105	11.3
419.15286	13.7
419.19571	16.3
420.08841	4.7
420.19861	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	419.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28957	1.7
55.01880	1.8
57.03452	3.8
58.00606	2.8
58.14227	1.7
59.01382	100.0
61.98846	10.4
69.83632	1.7
71.01382	51.1
71.60275	2.0
72.00912	2.0
72.99313	6.1
73.02957	6.7
74.02478	6.0
75.00877	3.7
83.01392	5.1
85.02957	11.8
87.00890	7.5
87.04505	2.6
89.02448	56.1
93.03455	4.2
95.01383	4.7
95.86176	1.8
97.06584	2.2
99.00871	3.7
99.04558	2.8
101.02447	26.8
105.01930	2.0
107.05043	2.6
108.02197	2.0
109.02977	3.1
113.02471	24.7
115.04084	2.2
118.05137	2.8
119.03509	20.4
119.04959	1.8
123.04525	3.1
125.02439	4.2
128.03528	2.6
131.03517	5.1
134.03780	2.1
135.04562	16.8
137.02481	3.7
138.05612	3.7
143.03513	4.6
143.04546	3.7
146.03743	12.1
149.00986	2.0
149.04529	1.9
151.04059	6.9
154.01651	2.0
161.02463	3.0
161.04568	10.1
161.06093	5.9
164.04797	7.7
176.77042	1.8
179.03424	2.5
179.05602	12.8
179.07159	29.6
180.07448	1.9
182.05811	2.0
192.99699	3.9
193.05101	3.3
195.10181	2.0
197.08165	5.1
197.52248	1.8
226.34312	1.9
230.54286	1.8
239.13023	2.6
244.04764	2.3
250.91890	2.1
257.08191	4.2
259.07272	2.9
287.15121	4.1
347.17145	2.4
359.13321	10.1
381.51062	1.9
419.11243	6.4
419.19852	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	419.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26493	2.1
58.00601	2.7
58.02967	4.7
59.01382	75.3
61.98830	31.9
67.01896	1.9
68.99850	2.2
69.03460	7.6
71.01385	86.8
71.16209	1.8
71.61037	1.9
71.61411	2.4
72.01743	1.7
72.99303	6.9
73.02952	11.5
74.02477	7.6
75.00871	4.6
76.47254	1.7
78.77786	1.9
79.00499	1.8
79.38003	2.0
79.92674	1.7
81.03455	7.0
82.46593	1.9
83.01391	8.9
85.02976	9.6
86.02503	2.5
86.92160	2.2
87.00877	6.9
88.78137	2.3
88.98802	2.5
89.02445	100.0
95.01413	2.4
97.02960	18.6
97.03999	2.4
99.00874	16.6
99.04557	2.6
99.05640	10.0
101.02436	20.3
111.00829	2.2
113.02448	12.1
115.04028	5.4
119.03542	4.6
125.02452	56.6
127.04069	2.4
128.03532	21.8
131.03491	8.7
135.04510	8.7
135.05566	2.9
143.03540	5.2
143.04622	24.2
149.04573	11.4
150.05617	3.5
153.01987	2.5
153.05569	3.0
160.00749	6.9
161.04584	6.9
165.09122	2.3
177.03439	2.6
179.04543	4.7
179.07076	3.4
191.05591	8.4
194.04530	7.5
210.08719	2.2
233.06651	32.5
234.07126	2.2
254.07819	5.8
272.08865	8.9
286.90079	2.3
288.06668	3.0
293.08847	24.9
294.08969	2.8
306.07654	50.3
356.09818	3.6
419.11502	6.3
419.20224	4.9
420.14572	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1199
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.01588	1.4
58.00597	2.9
58.02971	2.3
59.01381	80.7
61.98830	35.8
65.38256	1.5
67.49610	1.4
69.03470	9.9
70.83812	4.3
71.01385	78.4
72.99308	8.8
73.02943	12.5
74.02505	2.6
75.00864	4.6
81.03466	4.5
83.01392	5.5
85.02953	11.6
87.00888	6.0
89.02446	100.0
90.02786	1.8
95.01376	3.7
97.02959	17.6
99.00883	20.0
99.04490	2.7
99.05635	2.9
99.29443	1.7
101.02432	20.7
109.02967	2.3
111.00905	2.6
113.02455	13.6
115.04027	5.5
119.03507	4.5
125.02450	63.7
127.04017	1.7
128.03529	5.8
130.08803	2.3
131.03516	11.0
132.04610	2.4
135.04495	4.5
143.03488	5.9
143.04660	5.9
149.04597	14.8
150.05620	5.3
151.03905	2.6
151.07736	2.0
153.01865	2.1
153.05580	3.5
161.04555	3.2
191.05634	6.3
193.26175	1.7
194.04552	10.3
197.33804	1.7
210.08850	1.9
215.05478	1.6
233.06642	36.9
254.08055	2.1
263.02682	1.7
272.08899	4.1
279.88449	1.7
293.08786	30.2
300.09830	2.3
306.07632	13.7
312.93582	1.8
317.10883	1.8
356.09949	5.8
401.24768	1.5
419.11560	6.4
419.20364	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	419.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.4
59.01377	6.0
61.76814	0.6
61.98811	1.2
68.99808	1.3
69.03449	2.0
69.44650	0.7
69.44976	5.3
71.01397	1.0
72.99319	1.0
84.99314	7.1
85.02938	0.7
87.00871	3.0
98.19866	0.9
105.87060	0.6
112.98809	93.7
113.99160	2.6
117.03484	0.7
119.05017	2.6
121.02954	100.0
122.03281	4.8
127.07661	1.2
130.99843	1.1
133.02960	1.1
135.04533	13.0
136.04813	0.7
137.02477	0.7
139.11327	2.9
145.02977	0.7
149.00871	0.6
155.07036	0.8
159.04517	0.8
161.02470	1.5
163.02699	1.2
163.04007	19.4
163.05385	1.1
164.04366	1.0
179.03497	2.2
183.10255	11.8
191.03476	1.6
197.11845	1.0
200.02823	0.6
219.02881	1.2
225.11415	1.9
277.03348	0.6
293.03125	1.4
310.58270	0.7
383.24280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2493
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01877	4.5
57.03454	4.7
58.00586	3.3
59.01379	75.1
60.01716	1.0
61.98839	0.6
67.01917	0.4
68.99846	0.5
69.03456	1.2
71.01382	100.0
71.05003	0.4
71.62443	0.5
72.01723	2.1
72.99307	4.7
73.02943	21.2
75.00871	1.4
81.03446	0.5
83.01386	11.6
85.02952	35.1
86.03284	0.6
87.00880	6.0
87.04514	2.5
89.02444	51.8
90.02782	1.2
95.01379	6.1
97.02958	1.5
99.00881	9.2
101.02442	73.9
102.02769	1.5
103.00381	0.9
108.02191	1.3
109.02932	0.8
111.00883	0.9
112.98846	0.8
113.02447	37.9
114.02773	1.4
119.03503	23.2
119.04880	0.8
120.03883	0.5
121.02999	0.6
123.00822	0.4
125.02457	2.5
129.01942	1.5
130.99881	0.5
131.03503	2.6
135.04489	1.0
137.02448	1.9
139.00369	0.4
143.03493	7.6
143.81532	0.4
149.00945	0.7
149.04544	2.2
151.00372	3.1
152.01115	1.9
159.02975	6.1
161.04549	38.9
161.42981	0.4
162.04878	1.3
166.02721	6.7
169.12428	0.4
177.01906	0.6
179.03711	0.6
179.05594	9.4
181.05057	8.6
182.05365	0.8
187.49629	0.4
205.03450	1.0
220.42262	0.4
227.12914	0.5
255.19662	2.5
387.10745	1.5
402.13181	1.3
417.10123	1.4
417.15457	2.3
417.24796	24.8
418.15872	0.8
418.25165	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	417.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27320	1.9
58.64724	1.8
59.01381	100.0
70.23652	2.3
70.91814	3.0
70.92154	3.2
76.39390	1.8
96.95991	1.9
119.07970	2.2
148.20151	1.9
152.88266	1.7
163.04291	1.9
169.54257	2.1
172.13867	2.0
175.34990	1.7
289.05377	3.0
303.94916	2.3
417.21225	7.7
417.33978	3.2
418.21350	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3374
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
54.80347	0.2
59.01368	0.4
63.07275	0.2
76.59962	0.2
77.63182	0.2
86.22148	0.2
98.19804	0.3
111.18420	0.2
123.07701	0.2
165.39697	0.2
229.46500	0.2
417.33737	100.0
418.34079	20.5
418.39853	0.3
432.11002	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3377
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
55.75005	0.2
59.01377	0.7
66.34338	0.2
69.99091	0.2
70.13803	0.8
70.14227	0.4
102.11808	0.2
182.48769	0.3
273.17093	0.3
333.08987	0.3
416.51535	0.3
417.33740	100.0
418.34082	20.1
418.40021	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
56.88706	0.9
57.03447	1.2
58.13427	0.7
59.01377	22.3
60.01711	1.1
61.98829	100.0
69.46262	5.9
70.40434	0.7
71.01376	8.9
72.99304	1.6
73.02953	1.6
74.02482	0.8
76.30672	0.8
83.01381	1.4
85.02957	4.1
87.00890	3.1
88.51357	0.9
89.02438	5.6
93.03452	1.0
95.01392	0.9
96.96055	1.0
97.02924	0.9
99.00893	1.8
101.02451	5.9
103.00396	1.2
112.04107	0.8
112.98862	1.0
113.02445	3.8
119.03484	1.2
120.47029	1.0
121.02984	5.3
122.03236	2.1
125.02438	1.7
134.03725	1.3
135.04556	8.1
136.04860	0.9
139.07590	1.3
140.07968	1.3
142.05135	4.1
143.04681	2.3
149.00943	2.1
149.02409	2.2
150.03181	2.1
152.01099	1.9
161.04572	6.9
162.04869	2.1
165.01962	1.4
165.05534	1.4
166.05099	3.7
179.03529	1.1
180.04239	1.3
180.11377	1.0
193.05110	1.8
195.06546	1.9
205.55597	0.8
208.03864	1.0
223.06081	2.2
241.07254	0.9
242.61192	0.9
286.10623	1.2
287.14926	1.4
320.09317	3.8
359.16983	1.1
377.17944	1.2
401.18420	1.0
418.11166	1.3
419.19250	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	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87958	1.0
52.27978	0.9
54.49779	1.3
57.03453	1.4
59.01380	54.5
60.01714	2.3
61.98832	100.0
62.83878	1.0
67.39829	1.1
69.29105	2.1
69.29513	8.6
71.01380	8.5
72.01720	1.2
73.02961	2.4
83.01369	1.4
85.02941	3.7
87.00897	1.4
89.02464	3.2
99.00896	1.8
101.02447	6.5
102.02806	1.9
103.00386	1.6
111.37466	1.0
113.02451	4.9
121.02962	1.7
133.02885	1.2
135.04454	1.2
139.07726	1.5
140.08029	1.1
149.02443	6.6
150.03223	9.6
151.00310	1.6
152.01073	2.4
161.04530	6.4
162.04890	3.6
164.04805	3.0
165.05573	12.3
166.02675	1.3
174.76991	1.1
181.05034	1.3
193.01411	1.8
195.06595	6.4
197.11894	1.5
208.03719	2.2
221.41290	1.2
223.06139	10.6
266.06934	2.7
269.10263	4.1
281.09305	3.5
287.18423	1.4
358.15952	3.0
418.17105	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	4.7
58.00585	4.6
58.80886	4.1
59.01382	100.0
61.98810	11.5
71.01381	26.8
71.71975	4.1
72.99294	7.5
73.02944	4.4
75.00862	7.3
85.02940	9.9
87.00858	18.7
89.02445	9.3
94.80308	4.9
99.00889	13.3
101.02451	7.4
103.00386	7.1
108.02158	12.9
109.02994	8.9
112.98818	23.8
113.02393	5.1
115.00298	6.5
119.05108	4.5
123.04482	5.0
133.03008	4.7
135.04555	25.9
142.99792	23.0
147.04500	4.6
147.70451	4.1
149.00882	4.5
152.01122	21.5
161.02370	7.4
161.04517	5.8
163.04030	10.2
165.12917	4.1
173.00912	15.2
174.01692	44.0
175.02275	5.8
178.02667	4.9
179.03433	12.4
193.12347	5.6
211.13376	17.5
263.12921	6.1
267.12384	11.6
294.52032	4.4
307.11847	10.7
367.13980	56.7
383.30713	4.5
417.10196	15.4
417.28391	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23006	0.5
57.03439	1.6
58.00580	2.8
59.01381	44.6
61.35818	0.5
70.12835	1.2
70.13220	1.3
71.01377	10.0
72.99305	2.7
73.02950	15.4
74.03263	0.6
75.00889	0.8
83.04997	1.0
85.02962	3.6
86.48677	0.5
87.00878	24.4
87.04510	1.4
88.01174	0.8
89.02474	1.2
89.62823	0.5
93.03468	0.7
96.95984	0.6
97.06584	0.9
99.04513	3.8
101.02431	1.8
103.00373	14.8
103.04025	1.7
108.02167	4.9
109.02960	2.0
112.98807	2.4
113.02436	1.3
120.87859	0.6
122.06109	0.7
123.00858	1.0
127.07623	1.0
130.08684	0.6
130.99869	6.6
131.21272	0.5
135.04536	1.6
137.02426	2.5
144.04576	0.6
145.03011	1.0
149.00909	1.4
151.00342	2.5
152.01152	6.3
153.01686	0.6
161.02417	1.0
161.04547	0.9
163.03940	0.9
163.11137	0.6
165.12862	0.8
166.02682	5.9
179.03497	1.5
181.05072	10.6
181.12344	1.3
187.14793	0.8
193.15941	1.0
195.13878	2.5
205.15973	1.0
209.15460	1.9
211.13364	0.6
223.13536	0.7
253.14571	0.6
269.72711	0.6
283.89935	0.6
285.17068	100.0
286.17447	11.7
315.25967	0.6
321.13629	0.5
355.24954	0.9
357.14615	2.2
385.17035	0.6
387.10684	1.6
399.23849	0.8
402.13443	1.3
417.10352	5.7
417.17288	9.1
417.24902	6.7
418.17810	1.1
418.25195	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45096	19.3
59.01373	100.0
61.98849	34.6
70.06436	83.5
98.19893	28.6
108.86308	22.1
113.28379	21.7
127.76887	22.7
142.33719	21.5
149.71146	21.3
186.19254	21.7
217.84972	22.0
287.72830	21.9
417.18808	42.7
417.30219	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03449	2.0
58.00596	2.5
59.01382	75.4
60.01724	1.1
61.98845	0.8
65.45028	0.6
69.03448	1.9
71.01381	38.3
72.01711	1.0
72.99298	3.7
73.02947	28.2
74.03294	1.1
75.52133	0.5
78.54680	0.5
79.67381	0.5
83.01389	8.2
85.02956	8.2
87.00880	6.2
89.02441	14.2
94.31441	0.5
95.01392	2.8
97.02937	0.8
99.00886	1.8
101.02447	28.6
108.02186	1.4
109.02845	0.6
112.98810	1.6
113.02448	11.9
113.31989	0.6
119.03510	4.0
125.02449	1.3
130.99794	0.7
131.03542	0.9
135.04512	2.1
143.03529	1.2
149.04573	0.8
151.04126	0.7
152.01120	2.3
152.93477	0.7
155.03487	0.9
161.02455	0.9
161.04552	1.8
170.56395	0.6
179.03448	2.0
181.05104	0.8
183.13858	1.2
195.13913	19.1
196.14241	1.2
203.03331	0.7
213.14951	7.5
225.81912	0.6
225.84282	0.6
230.30392	0.5
268.85089	0.5
285.17264	0.6
357.19147	16.2
358.19388	2.0
375.20193	34.8
376.20685	3.9
417.09940	2.3
417.21274	100.0
418.21628	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
57.03439	3.1
58.00589	1.3
59.01381	100.0
60.01711	2.3
61.98830	6.4
69.03465	1.2
69.86612	4.9
71.01385	50.5
72.99299	1.7
73.02951	16.0
75.00871	2.8
80.10793	0.8
83.01413	5.6
83.48691	0.9
85.02953	22.7
87.00876	3.4
87.85387	0.9
89.02441	7.0
93.03439	1.0
95.01396	3.8
97.02950	2.4
97.06560	0.8
98.19913	1.1
99.00874	6.3
101.02451	28.7
102.02682	1.0
108.02184	5.1
109.02936	2.8
111.08150	3.7
112.04050	1.4
112.98794	0.9
113.02456	24.3
114.05576	1.4
115.03960	1.0
119.03529	2.1
119.05004	1.2
121.02950	10.8
123.00877	0.9
123.04507	3.2
125.02451	1.9
135.04520	5.2
136.04962	1.2
137.02472	1.8
139.06587	1.7
139.07657	30.5
140.07912	1.3
143.03485	3.7
149.00958	1.7
149.02423	2.6
151.00352	2.4
152.01164	5.8
159.02994	6.3
161.04558	61.2
161.90121	0.9
162.04921	1.7
163.03967	1.4
164.04848	2.0
166.02721	3.9
166.05086	13.7
167.03537	5.6
179.03433	1.7
179.05695	1.1
179.07201	1.3
181.05109	5.4
182.05331	0.9
193.05061	1.3
194.08200	1.9
195.10216	5.7
223.06058	1.3
285.13403	3.7
285.16852	1.3
314.64902	0.9
345.89841	0.9
357.15546	16.2
358.15927	2.5
417.10556	4.0
417.17831	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
57.03446	2.4
58.00607	1.3
59.01381	100.0
60.01715	1.5
61.98832	21.0
62.15159	0.6
69.03471	0.8
71.01384	34.2
71.61742	0.7
72.99310	1.5
73.02948	16.0
73.03338	1.1
75.00874	0.8
80.49901	0.6
83.01378	5.7
85.02955	12.4
87.00887	3.8
89.02443	11.3
93.03490	0.9
95.01400	2.5
95.23403	0.6
97.02977	1.7
99.00880	4.0
99.04541	0.9
101.01774	1.4
101.02449	28.6
102.02817	0.9
103.00400	0.8
107.01400	2.2
108.02184	9.3
109.02960	4.0
111.08190	1.1
113.02455	12.7
119.03477	3.5
124.38515	0.7
125.02477	1.1
131.01436	1.1
135.04514	1.7
137.02505	1.3
139.07678	7.6
143.03542	2.8
144.09946	0.6
149.00960	1.1
149.04581	0.8
151.00369	1.5
151.11336	0.7
152.01166	16.2
159.03004	2.4
161.04556	22.1
161.05830	1.2
162.04938	0.9
166.02754	2.6
177.01936	0.8
177.07893	0.7
177.09201	4.0
178.18913	0.6
178.54495	0.7
179.03561	0.9
179.05707	1.0
181.05141	2.9
195.10370	2.6
213.95808	0.6
218.99406	4.3
237.00404	3.3
285.13565	2.8
285.17212	3.4
288.74979	0.6
331.17618	3.5
357.15546	11.1
375.16763	1.9
399.16647	8.3
400.16971	0.8
417.10669	14.9
417.17838	30.0
418.11295	1.3
418.18228	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	416.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.4
61.98828	100.0
71.01391	5.7
71.61324	1.0
71.80569	0.7
72.99335	1.9
73.02957	2.2
75.00876	4.7
78.95884	1.3
85.02963	2.0
86.48504	0.7
87.00864	2.7
89.02448	3.9
93.03458	2.4
95.01371	1.0
96.96948	2.2
101.02451	4.3
103.36625	0.8
104.30880	0.7
104.46661	0.7
107.01418	0.7
108.02155	4.8
109.02950	2.6
111.00811	0.8
113.02458	1.7
114.05678	1.0
119.03470	1.7
119.05012	0.8
120.01261	0.9
121.02961	1.2
123.04515	2.7
125.02364	0.9
135.04575	1.2
137.02429	5.7
139.00484	0.8
143.03491	1.0
143.82169	0.6
145.03011	1.9
147.04430	0.7
149.00975	0.9
149.02446	2.2
149.06119	1.1
150.03221	4.3
151.07675	0.8
152.01129	7.6
161.02452	1.6
161.04622	1.0
162.03204	2.2
163.04005	0.7
164.04771	1.3
165.05579	6.3
175.03970	4.0
175.39894	0.8
177.01961	0.9
177.05630	1.1
178.02783	1.9
179.03477	0.9
179.07162	0.7
180.04282	1.5
181.05070	1.2
193.05009	1.2
195.06604	2.8
210.02330	0.7
236.05440	0.8
237.04048	2.0
237.07689	0.8
407.11258	0.8
416.14944	2.1
417.09592	11.9
417.14584	4.5
418.10083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
69.53326	3.6
71.01377	3.6
73.02953	0.9
85.02958	2.2
89.02456	1.6
95.01418	1.4
99.00833	0.5
101.02467	0.8
108.02177	57.9
109.02983	23.6
110.03252	0.7
113.02483	0.8
117.14496	0.6
123.00899	1.5
123.04544	1.5
135.04515	0.6
137.02440	2.5
143.04619	0.7
151.04036	2.3
152.01154	100.0
153.01614	5.1
163.03995	1.9
164.19110	0.5
177.88025	0.5
179.03513	1.2
180.04196	1.1
195.06546	1.2
241.07199	3.4
267.05142	0.6
276.71695	0.5
285.06284	1.0
417.10352	98.8
418.10635	12.7
418.15726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1554
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
52.66212	0.2
57.03439	0.4
59.01382	3.5
64.32383	0.2
65.00316	0.2
67.01895	0.4
69.03430	0.4
71.01378	1.4
71.17788	0.3
71.30444	0.5
72.99295	0.4
73.02954	0.4
79.95750	0.3
81.03458	0.3
84.02164	0.3
85.02945	0.9
87.00891	0.6
89.02453	0.3
93.03454	0.5
95.01399	1.1
95.05022	0.5
96.96034	1.6
99.00895	0.3
101.02436	0.7
103.00349	0.3
105.03400	0.3
107.05032	0.5
108.02143	0.5
109.02951	4.3
111.00890	0.7
113.02432	0.6
119.03485	0.3
119.05069	0.2
121.02983	1.2
123.00876	4.3
123.04508	0.8
124.01633	0.8
125.02447	1.0
128.22156	0.2
130.08644	0.3
131.05002	0.2
133.02927	0.6
135.04514	1.0
137.02449	15.1
138.02838	0.8
139.00403	0.5
139.03963	0.8
145.02907	0.3
146.03659	0.2
147.04533	0.4
149.01131	0.4
149.02435	1.9
149.04790	0.2
149.06001	1.1
150.03204	0.7
151.00372	28.4
151.03978	1.7
152.01167	3.4
152.04799	3.2
153.01935	0.5
153.05545	0.5
154.02628	0.3
159.04471	0.5
159.28587	0.3
160.01711	0.2
161.02411	0.6
161.04562	0.3
163.04008	1.0
164.04784	0.5
165.01917	1.2
166.02713	67.8
167.03374	5.9
173.02434	0.5
175.03989	1.4
176.01073	0.2
177.01945	4.2
177.05518	0.4
178.02686	0.6
179.03477	1.5
181.05064	100.0
182.05411	5.6
184.03725	1.4
186.36870	0.2
187.04105	0.3
189.05495	0.3
190.02654	0.6
190.06383	1.1
191.03496	1.4
192.04265	1.6
193.05095	1.3
195.02979	0.9
203.03487	1.1
205.05060	1.5
205.06995	0.2
205.08693	1.8
207.06618	1.7
209.04544	0.7
211.04131	0.3
218.05821	0.2
219.06505	0.4
221.04570	0.3
223.06090	0.3
224.03204	0.4
227.03542	0.6
255.03012	0.7
281.04446	0.3
284.03259	0.9
285.07663	0.4
285.17038	0.7
286.08267	0.4
299.05600	0.3
301.07236	0.7
314.07953	0.3
329.10352	0.6
329.13940	0.3
341.10370	0.4
356.12534	0.3
357.09686	0.5
359.11295	2.1
360.11539	0.4
371.14975	0.6
387.10837	15.8
388.11111	2.4
399.23825	0.5
402.13171	12.8
403.13452	1.7
417.15567	29.9
417.24207	4.0
418.15567	4.5
418.25372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3218
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
56.48892	0.3
57.01203	0.3
63.36560	0.3
70.26543	0.8
71.73992	0.2
98.19901	0.3
118.91385	0.2
133.60312	0.3
150.54924	0.3
152.99634	0.3
171.37410	0.3
279.23331	0.9
415.32178	100.0
416.32520	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23191	0.4
55.42450	0.4
56.89471	0.4
59.01378	0.7
60.46017	0.4
61.56185	0.5
65.07746	0.4
71.61461	0.6
78.68636	0.4
99.74831	0.4
104.13499	0.5
141.53229	0.5
162.73935	0.5
200.90825	0.4
230.99762	0.4
385.31113	1.8
415.32156	100.0
416.32520	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25903	0.9
51.50739	1.0
52.44581	1.1
57.03428	1.4
59.01091	2.2
59.01378	37.5
61.98811	1.4
68.99822	1.4
69.87503	2.3
69.87909	5.1
71.01374	7.6
72.99310	3.2
73.02932	2.2
83.01402	1.6
84.99305	6.4
85.02939	3.3
87.00871	17.0
89.02444	4.1
91.44817	1.0
93.03415	1.5
95.01395	1.3
96.99301	1.7
98.19846	1.3
99.00899	1.2
101.02425	6.1
103.00368	4.1
107.05000	1.7
108.02162	3.1
109.02949	10.9
111.00876	1.3
112.98810	47.0
113.02431	4.3
114.05594	3.2
119.03484	2.4
119.05011	1.7
120.03879	1.2
121.02959	1.9
122.02481	26.1
123.04521	2.7
127.00354	6.3
130.98090	1.1
130.99825	2.2
133.02963	13.7
134.03786	6.0
135.04524	100.0
136.03972	2.1
136.04868	4.3
137.02463	9.8
137.21214	1.1
138.02765	1.6
139.00363	8.3
147.04527	1.8
149.00890	1.5
149.02382	1.1
149.06067	1.6
151.00386	2.6
151.04034	2.6
152.01143	3.4
153.01918	1.2
159.04497	3.3
161.02443	33.1
161.04591	3.8
162.02856	1.1
163.03981	14.9
164.03473	3.4
166.02702	4.8
173.02370	2.0
175.03917	2.6
177.05547	2.6
178.02614	1.3
179.03491	76.0
180.03819	4.6
181.05017	7.5
187.03952	3.3
191.03471	10.6
198.80923	1.3
205.05017	2.0
219.02975	43.1
220.03290	2.7
225.11287	1.4
229.50977	1.3
231.03003	8.4
254.03084	5.9
275.01898	5.8
285.13498	7.1
285.16647	1.5
293.03030	33.8
294.03384	3.6
317.11588	1.2
381.17618	1.8
417.10568	4.4
417.16617	2.0
417.21881	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
58.00607	1.0
59.01379	100.0
60.01711	1.5
71.01379	10.3
71.62058	0.9
72.31518	0.6
72.99320	1.1
73.02943	4.6
83.01403	1.6
84.40010	0.7
85.02972	4.6
85.13145	0.7
87.00879	7.9
89.02446	5.5
89.38162	0.6
95.01405	1.1
96.96072	0.9
99.00883	0.7
101.02431	6.6
103.00393	2.1
112.98830	1.3
113.02458	5.7
119.03534	2.3
119.05051	0.8
125.02527	0.6
129.05609	2.5
132.04585	1.1
134.03795	0.9
134.06161	2.0
135.04488	4.4
149.00856	3.1
161.02483	1.0
161.04660	2.3
165.04094	0.9
177.02003	0.7
179.03514	3.6
180.56985	0.6
203.14410	0.7
221.15387	1.5
223.13531	0.9
239.12852	1.2
239.16507	3.9
279.11658	1.8
283.12372	0.9
283.15482	15.5
284.15939	2.2
311.13968	1.0
322.10855	0.7
323.10428	1.7
355.13214	2.5
375.27499	0.8
415.15424	1.1
415.23480	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	415.3217
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
59.01372	0.4
60.47855	0.2
74.11968	0.2
74.67718	0.2
75.98535	0.1
85.84939	0.2
184.15016	0.2
206.49065	0.2
250.00403	0.2
321.91797	0.2
415.32150	100.0
416.32501	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	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50577	0.4
54.55339	0.3
57.03449	0.8
58.00599	0.5
59.01381	100.0
60.01711	1.4
62.36530	0.4
67.09449	0.3
71.01389	5.4
71.05018	0.3
71.62698	0.6
72.99310	0.7
73.02951	1.3
73.03713	0.3
83.01395	0.8
85.02970	2.2
87.00884	3.6
89.02434	2.8
99.00894	0.8
101.02453	3.6
103.00374	1.0
109.02959	0.7
112.98834	2.1
113.02457	2.0
119.03500	1.2
119.05037	0.6
121.02957	0.4
127.00458	0.5
130.99899	0.7
133.02992	1.7
134.03775	0.6
135.04536	7.1
136.04857	0.8
137.02425	0.9
139.00389	0.7
149.00912	1.2
159.03079	0.4
161.02483	3.2
161.04570	1.6
162.02911	0.6
163.04041	1.2
179.03502	4.2
180.03928	0.5
191.03488	0.5
206.26511	0.4
207.06647	1.2
214.97517	0.4
217.08359	0.4
219.03006	3.1
220.03540	0.6
293.03085	2.2
294.03326	0.5
310.11719	0.4
355.25003	0.6
373.22400	1.5
375.27664	1.4
415.23331	1.1
415.27829	0.5
435.62717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57751	0.2
55.01873	0.3
57.03434	0.4
58.00598	0.4
59.01380	100.0
60.01713	1.5
60.50577	0.2
65.39264	0.2
70.14834	0.2
71.01385	10.8
71.05011	0.4
72.99319	0.6
73.02952	3.0
77.17739	0.2
83.01411	1.1
85.02953	3.3
87.00896	0.8
89.02442	7.9
95.01402	0.8
97.02930	0.2
98.20637	0.5
99.00906	0.7
101.02451	6.7
103.00378	0.3
112.98803	0.3
113.02446	4.9
114.02773	0.2
119.03502	2.4
121.02968	0.4
129.02039	0.2
131.03500	0.3
135.04518	0.5
137.09825	0.3
143.03508	0.5
157.66313	0.2
159.03012	0.2
161.04559	3.5
163.03951	0.3
179.03505	0.3
179.05611	0.2
197.62738	0.2
211.17082	0.9
355.21353	1.2
373.22281	8.8
374.22717	1.1
415.23370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
57.03446	2.8
58.00587	5.3
59.01382	100.0
60.01706	1.3
60.69586	0.9
62.44062	1.1
69.03459	3.6
71.01385	81.1
72.01743	1.4
72.99313	7.9
73.02950	9.4
74.03252	0.9
75.00873	2.1
81.03463	1.9
82.03291	1.0
83.01400	7.1
85.02956	16.4
86.00086	1.0
87.00880	15.2
89.02445	89.3
90.02779	2.3
91.04018	1.0
95.01380	5.1
96.96004	1.0
97.02957	6.8
99.00874	3.6
101.02448	70.2
102.02781	1.4
103.00383	0.9
111.00928	1.0
113.02452	28.4
114.02780	1.4
119.03493	24.8
119.04305	1.5
125.02460	13.0
131.03510	3.8
143.03499	10.2
149.04533	3.4
161.04564	10.7
174.21260	0.9
179.05612	25.1
185.04547	2.0
221.06606	6.4
235.08253	14.1
253.09375	8.6
263.07745	4.8
287.07730	2.5
305.08832	2.4
308.11240	1.0
311.90366	1.6
362.34424	1.1
397.13754	1.1
415.14563	99.9
416.14828	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	415.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
57.03443	2.5
58.00605	5.1
59.01380	100.0
60.01722	1.3
61.19456	0.8
64.06766	0.8
68.99838	1.1
69.03446	3.5
70.21796	1.9
70.22162	1.7
71.01384	72.6
72.01701	0.9
72.99314	5.3
73.02943	9.2
75.00880	1.2
81.03437	2.6
82.10101	0.7
83.01392	7.2
85.02953	18.9
87.00876	13.2
89.02444	88.3
90.02756	1.7
91.03999	2.0
92.74200	0.7
95.01393	5.5
96.96021	1.5
97.02939	9.0
99.00868	3.5
101.02447	62.9
102.02761	1.2
103.00430	1.0
111.00903	1.7
113.01686	1.8
113.02455	29.1
114.02783	0.9
116.18088	0.9
119.03504	26.0
125.02446	13.2
131.03539	4.7
141.01918	1.2
143.03513	10.9
149.04527	3.2
161.04564	12.8
179.05609	28.1
179.07172	1.7
180.05974	1.4
185.04559	1.9
221.06693	6.8
235.08208	12.8
253.09238	8.5
263.07629	5.7
287.07721	1.7
305.08768	2.6
323.09747	1.2
326.67523	0.8
415.14563	97.8
416.14871	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03445	1.2
58.00607	0.7
59.01382	60.8
61.88757	0.5
68.99811	1.6
69.62013	2.0
69.62453	2.0
70.37330	0.6
71.01380	12.6
71.05012	1.3
72.99313	0.8
73.02954	2.6
78.29790	0.5
80.05046	1.3
80.29533	0.6
81.03457	0.9
83.01376	0.9
85.02951	5.7
87.00885	3.4
87.04511	1.8
89.02439	4.2
90.40791	0.6
95.01379	1.4
96.96040	0.7
99.00894	2.3
99.04523	0.6
101.02435	5.4
101.06081	3.1
101.92008	0.6
103.00365	1.0
104.05068	5.8
106.06637	8.2
108.04565	4.9
113.02451	5.7
116.05050	1.5
119.03497	1.8
120.08250	0.6
122.06135	1.8
125.02427	0.7
130.06625	1.1
132.04562	32.3
133.02959	1.4
133.04875	1.6
134.06128	61.5
135.04509	2.0
135.06490	2.9
143.03569	0.9
144.04559	4.9
145.05249	0.8
146.06073	1.1
148.04057	7.3
148.07651	0.6
149.00940	1.5
152.07159	2.7
158.06117	8.4
160.04018	8.1
161.02364	0.9
161.04462	3.5
164.07115	0.8
174.05637	3.0
176.03508	6.8
179.03410	0.8
188.03514	6.5
189.04282	1.7
190.04997	0.9
194.08252	1.6
202.05165	2.3
207.09259	1.0
208.06169	6.4
219.03122	1.0
220.06186	0.9
221.07121	1.5
223.12428	2.5
225.10295	0.8
227.11911	2.8
235.08809	2.0
236.09444	1.9
249.10304	1.6
251.11899	22.9
252.12239	3.1
253.09804	2.7
255.11436	5.8
263.08237	1.0
267.11398	4.9
277.09891	0.8
279.11365	34.4
280.11719	3.2
295.10837	10.7
296.11237	2.6
297.12466	1.9
313.47757	0.7
315.18124	1.0
323.10370	36.9
324.10657	4.9
337.11923	4.2
339.13477	3.2
341.11337	3.4
355.12985	100.0
356.13266	13.7
373.14090	3.0
374.14172	0.8
383.12494	20.2
384.12759	3.0
415.15128	17.2
415.22800	2.9
415.27774	0.8
416.15448	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	415.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04029	0.5
59.01381	0.9
68.41345	0.5
71.10442	0.6
71.10770	0.8
72.82105	0.5
74.99104	7.8
77.00668	79.7
78.01003	1.2
98.50983	0.6
118.41401	0.5
147.04556	1.1
147.08183	1.8
149.09755	1.4
161.09711	1.1
163.11305	2.5
187.11349	2.9
204.02220	0.5
265.12500	0.8
270.58594	0.5
270.61508	0.5
279.13940	0.9
280.14758	1.3
281.15271	0.6
307.17053	0.7
309.22348	1.7
312.06290	0.5
336.21252	0.5
337.21735	100.0
338.22076	17.3
338.26196	1.0
409.29123	0.6
415.23117	13.0
415.31683	2.2
416.23465	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	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16870	0.5
57.03445	1.3
58.00599	0.7
59.01380	100.0
60.01717	1.6
61.98829	1.0
71.01385	9.5
72.99326	1.3
73.02953	2.0
75.00896	0.7
79.26859	0.5
80.13235	0.4
83.01398	1.0
85.02948	4.1
87.00877	3.4
87.04508	0.4
89.02438	5.4
95.01364	0.6
99.00898	0.9
101.02444	6.6
101.03075	0.5
103.00378	0.7
104.05065	1.0
106.06646	1.6
108.04559	1.0
112.98856	1.4
113.02454	4.1
119.03516	2.7
119.05058	0.7
125.02473	0.5
132.04546	5.3
133.02968	1.5
134.06122	11.9
135.04536	4.8
137.02477	0.6
139.04077	0.5
143.03502	0.6
144.04559	1.3
145.02937	0.5
148.04042	1.4
149.00928	2.4
151.04060	0.8
152.07205	0.9
158.06122	1.3
160.04077	1.4
161.02505	0.9
161.04497	2.3
163.04054	0.6
176.03568	1.4
179.03568	3.6
179.05682	0.7
180.03871	0.5
188.03609	1.0
208.06203	1.2
251.11868	3.4
252.12325	0.8
255.11447	1.1
261.83850	0.5
267.11502	1.3
271.02557	0.8
279.11349	5.8
280.12024	0.9
283.12115	0.6
283.15384	0.6
295.10989	1.8
299.01917	1.1
323.10370	7.2
324.10867	1.0
337.12280	0.5
339.13388	0.7
341.11670	0.6
355.12964	17.3
355.25027	1.6
356.13358	2.3
373.14478	0.5
373.26230	0.7
375.27664	1.1
383.12415	3.6
384.13254	0.9
387.27774	1.1
415.15240	3.6
415.23499	1.8
415.27347	1.9
416.15677	0.5
416.27463	0.5
433.10831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48962	1.9
53.93098	1.7
59.01376	38.5
61.35826	1.7
62.61313	1.8
69.57926	2.3
70.95266	1.8
71.01387	9.3
78.20746	1.7
84.99326	4.5
85.02960	2.7
87.00889	14.8
89.02448	4.1
97.95163	2.2
101.02443	4.7
103.00367	7.3
109.02948	5.9
112.98829	31.9
113.02438	3.4
121.02956	14.1
127.00383	5.2
130.99864	7.8
133.02933	7.7
134.03734	8.7
135.04529	100.0
136.04799	5.9
137.02435	8.3
139.00357	4.0
149.00917	7.9
159.04495	2.0
161.02455	20.9
161.04507	3.5
163.03989	13.6
177.05511	2.7
179.03499	82.4
180.03847	5.8
187.04108	2.2
188.33574	2.4
191.03519	4.8
212.04182	1.7
216.04353	2.1
219.02950	28.6
223.13374	2.2
231.02919	5.1
253.03496	6.7
275.01776	2.3
283.15594	2.6
293.03046	20.7
303.67664	1.9
405.31195	2.3
415.23511	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.2
59.01380	96.0
69.40289	10.9
70.51470	1.3
71.01369	5.5
72.99311	4.4
73.02939	2.6
85.02965	2.6
87.00879	43.4
89.02453	3.3
89.04506	1.2
96.88959	1.6
98.19902	2.9
99.00940	1.4
101.02452	3.3
103.00379	46.2
103.01053	3.2
107.05014	2.2
109.02943	6.3
112.98822	14.8
113.02467	1.4
119.03490	1.6
119.85755	1.3
121.02956	54.7
122.03259	2.2
127.00378	5.7
130.99860	47.0
132.00096	1.7
133.02994	7.4
134.03728	5.1
135.04529	100.0
136.04832	5.4
137.02457	5.7
139.00372	8.7
139.23701	1.6
149.00887	3.8
149.02252	1.7
159.04396	1.3
161.02443	24.3
161.04579	2.2
163.03999	15.2
177.05588	2.5
179.03502	51.9
180.03807	5.5
187.04115	1.5
191.03508	8.6
205.05005	2.8
219.02980	30.5
220.03410	2.7
231.02930	4.3
253.03525	59.3
254.03815	4.9
275.02002	3.5
283.15448	2.2
293.03061	26.3
294.03339	2.1
355.24701	1.8
375.27408	2.3
375.59729	1.4
415.16266	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52641	1.3
57.03438	3.3
59.01381	48.7
61.98830	5.0
62.76950	1.2
64.36826	1.4
69.45797	10.6
71.01387	15.3
72.99311	2.1
73.02954	3.6
78.95924	3.3
81.03479	3.3
83.01388	4.3
84.99313	1.8
85.02953	5.5
87.00880	15.4
89.02451	9.7
93.03474	4.6
93.04017	1.4
95.01380	1.9
99.00874	1.7
99.04498	2.2
101.02436	9.4
103.00381	4.9
109.02957	5.5
112.98798	16.3
113.02447	6.6
114.05571	1.7
117.51638	1.3
119.03505	4.2
119.05062	2.1
121.02955	3.9
122.02502	8.8
123.04515	27.8
124.04856	1.7
125.02438	4.6
127.00320	1.9
130.99844	2.8
133.02936	4.8
133.05074	1.6
134.03787	2.1
135.04526	37.8
137.02449	20.3
138.02844	1.6
139.00398	3.9
139.04013	1.8
149.00911	7.2
149.02335	2.3
150.06767	1.4
151.07622	1.7
152.99611	4.4
159.04549	1.6
161.02425	11.8
161.04576	5.4
163.03940	7.4
164.03519	2.4
167.03494	100.0
167.97864	1.3
168.03830	5.1
179.03496	30.4
179.10811	4.7
191.03485	5.0
193.08641	1.7
196.07520	2.1
211.09685	2.7
219.02982	15.1
231.02969	2.7
235.05991	2.0
239.12987	1.8
253.07137	2.4
275.02026	2.6
283.11816	10.3
283.15378	3.9
293.03006	12.2
316.25433	1.6
323.93317	1.4
371.09866	2.4
380.18356	1.8
415.19846	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	415.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	3.6
59.01380	100.0
61.98807	2.8
69.03443	3.3
69.49728	4.2
69.50131	10.0
71.01383	70.4
72.99294	6.3
73.02940	8.7
75.00879	2.4
83.01389	4.7
85.02945	17.2
87.00881	11.1
89.02444	75.4
90.02792	2.0
95.01378	4.2
97.02934	6.6
98.19875	4.0
98.69109	2.5
99.00857	6.3
101.02444	57.9
113.02447	28.3
119.03486	25.4
125.02441	12.7
131.03442	4.6
140.99254	2.1
143.03476	10.8
149.04556	2.7
161.04509	14.2
163.45050	2.4
169.64253	1.8
179.05592	25.5
206.25281	2.7
221.06636	6.5
235.08147	11.0
253.09258	4.5
263.07785	3.0
273.72467	2.2
415.14539	95.7
415.28467	2.8
416.14932	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	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.91674	1.2
68.59573	1.3
71.60921	1.6
89.21762	1.1
116.39115	1.2
129.71080	1.3
171.83226	1.3
280.86777	1.3
286.18845	1.4
413.30692	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.37093	3.0
70.37540	10.2
103.94189	2.5
124.40576	2.5
136.40520	2.9
264.69476	2.7
427.22171	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	413.3058
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
59.01392	0.5
59.43206	0.4
71.61703	0.7
92.58354	0.5
113.13962	0.5
151.17673	0.5
158.49066	0.4
163.45659	0.5
199.44487	0.4
277.21722	0.7
413.30594	100.0
414.30902	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	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01380	100.0
60.01714	1.5
69.42094	2.0
70.83659	0.3
71.01377	2.2
73.02956	1.0
83.01401	0.4
85.02953	1.4
85.28850	0.3
87.00904	0.6
89.02460	1.1
90.27795	0.2
95.01393	0.3
96.96033	0.4
98.20599	0.4
101.02442	1.2
112.98878	0.3
113.02481	1.2
119.03508	0.3
135.04538	0.8
143.03517	0.3
147.04527	3.1
161.02501	0.4
161.04634	0.5
161.06021	0.3
179.03531	0.7
189.58217	0.3
215.62961	0.2
281.13843	0.3
294.10208	0.3
413.22238	0.4
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
56.54342	0.3
57.03432	0.5
59.01379	100.0
60.01717	1.4
66.78080	0.3
69.47570	2.2
71.01382	4.6
73.02964	1.1
83.01403	0.9
85.02950	2.2
87.00883	0.6
89.02459	1.4
99.00920	0.5
100.87820	0.3
101.02453	3.0
112.98852	0.4
113.02455	2.0
119.05045	0.4
125.27608	0.3
135.04477	0.4
161.04584	1.6
181.05650	0.3
188.87640	0.3
191.05586	0.3
209.15529	1.0
215.89934	0.3
250.66284	0.3
252.31097	0.3
353.19727	1.4
371.20764	4.6
372.21194	1.0
413.22290	0.4
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
52.92204	0.2
55.01881	0.3
57.03452	0.8
58.00599	0.3
59.01381	100.0
60.01716	1.2
70.01858	1.0
71.01388	5.0
71.29494	0.2
72.99297	0.4
73.02946	1.8
83.01383	0.5
85.02946	2.9
87.00880	1.4
89.02456	1.5
89.16235	0.2
94.03937	0.2
95.01395	0.3
97.71301	0.3
98.20509	0.3
99.00899	0.9
101.02455	2.7
101.49086	0.2
103.00380	0.5
109.02965	0.3
112.98816	0.6
113.02448	2.2
113.75359	0.2
119.03541	0.6
119.05045	0.7
129.33345	0.3
133.02991	0.4
135.04556	1.3
143.03511	0.2
149.00941	0.8
161.02486	0.6
161.04567	1.6
163.04062	0.5
165.00133	0.4
177.09344	0.3
179.03583	1.1
209.15558	1.0
231.52499	0.2
272.48172	0.2
281.14108	0.4
281.17630	0.5
303.93842	0.2
307.98352	0.2
337.64111	0.2
353.19794	1.0
371.20721	3.8
373.25821	0.3
413.21985	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.10342	2.1
63.30114	2.2
65.65479	2.4
71.38683	4.8
85.36873	2.0
128.48100	2.1
376.46805	2.7
380.02792	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	412.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
61.98835	5.8
70.91847	0.8
70.92199	1.5
71.01367	3.5
72.18103	0.7
72.99335	0.9
73.02946	1.6
84.00921	2.1
85.02962	2.1
86.02477	2.3
87.00885	1.6
87.56139	0.7
89.02439	2.2
89.48953	0.8
96.96056	1.1
99.00896	0.7
101.02451	3.8
104.03539	39.9
109.02956	1.5
113.02451	1.4
117.03479	7.6
119.05029	57.3
120.04589	0.8
120.05345	3.5
130.01465	30.8
133.06627	0.9
135.04524	3.1
144.04536	1.0
145.02956	100.0
146.03258	4.8
149.06102	1.6
161.04591	0.9
161.06076	2.0
162.05627	13.3
163.04031	1.5
163.05983	1.3
179.03548	0.9
189.05551	6.4
204.06636	3.8
207.06609	2.8
214.85948	0.7
250.07199	69.2
251.07707	5.1
251.11299	2.2
260.59732	0.7
266.88980	0.8
292.08362	1.2
307.96802	0.8
350.08966	1.0
412.12482	80.9
413.12643	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	413.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82378	0.8
59.01370	3.5
61.98816	3.9
66.41345	0.7
70.84525	2.3
71.01369	2.4
75.00881	1.3
83.01389	1.0
85.02956	1.9
87.00869	3.5
89.02441	1.8
93.03468	1.2
96.96011	4.8
97.03014	0.9
98.02456	5.3
101.92418	1.0
108.04556	26.2
109.02933	2.5
109.04798	1.0
113.02510	1.1
116.92888	2.6
117.92831	1.3
118.02995	49.3
118.92664	2.2
119.03347	1.2
119.05042	5.2
120.04528	3.2
123.04510	1.0
132.04558	1.2
134.02490	7.1
134.06102	2.2
135.04512	4.0
136.04004	1.5
142.01434	2.9
144.04555	58.4
145.02950	2.1
145.04863	2.3
147.04539	1.1
149.00902	2.6
161.04684	0.9
161.06081	3.1
162.05606	60.2
163.04025	5.7
163.05992	4.3
174.03223	2.4
179.03477	1.9
188.03532	100.0
189.03864	7.4
189.05551	8.3
191.03467	1.3
193.05087	1.5
203.29543	0.9
205.05119	1.2
206.04582	2.4
207.07925	4.8
209.04442	0.9
209.08177	1.4
233.05550	17.6
234.04924	1.1
237.09531	0.9
251.05777	12.6
252.05971	1.5
308.13681	0.9
318.93246	0.9
350.08969	1.8
413.11938	58.9
414.12323	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
57.03432	0.4
59.01141	0.5
59.01384	5.7
61.98825	1.3
69.60256	2.2
71.01385	4.5
72.99308	0.5
73.02947	1.6
74.04789	0.3
75.00881	1.6
83.01398	0.8
85.02944	1.8
87.00859	1.8
89.02448	2.2
92.70330	0.3
95.01366	0.4
96.96957	0.4
99.00857	0.5
101.02435	3.0
103.00370	0.6
105.05595	0.6
109.02970	0.5
112.98805	0.3
113.02454	1.5
117.03472	23.6
117.70107	0.3
118.03812	1.2
119.03531	0.6
119.05016	6.9
133.02939	0.5
134.03671	0.6
135.04549	1.6
145.02954	100.0
146.03300	5.4
149.00923	1.2
150.45003	0.4
153.01927	0.3
160.01582	0.6
161.02454	0.8
161.04509	0.6
163.04010	12.3
164.04424	1.2
174.04747	0.3
175.03947	0.7
179.03516	0.8
179.98689	0.3
193.05098	0.4
209.11768	0.3
237.06076	1.6
281.13876	0.5
285.10355	0.4
307.08401	0.3
413.14560	39.4
414.14819	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
57.03432	0.4
59.01141	0.5
59.01384	5.7
61.98825	1.3
69.60256	2.2
71.01385	4.5
72.99308	0.5
73.02947	1.6
74.04789	0.3
75.00881	1.6
83.01398	0.8
85.02944	1.8
87.00859	1.8
89.02448	2.2
92.70330	0.3
95.01366	0.4
96.96957	0.4
99.00857	0.5
101.02435	3.0
103.00370	0.6
105.05595	0.6
109.02970	0.5
112.98805	0.3
113.02454	1.5
117.03472	23.6
117.70107	0.3
118.03812	1.2
119.03531	0.6
119.05016	6.9
133.02939	0.5
134.03671	0.6
135.04549	1.6
145.02954	100.0
146.03300	5.4
149.00923	1.2
150.45003	0.4
153.01927	0.3
160.01582	0.6
161.02454	0.8
161.04509	0.6
163.04010	12.3
164.04424	1.2
174.04747	0.3
175.03947	0.7
179.03516	0.8
179.98689	0.3
193.05098	0.4
209.11768	0.3
237.06076	1.6
281.13876	0.5
285.10355	0.4
307.08401	0.3
413.14560	39.4
414.14819	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	411.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04784	6.7
54.97396	6.8
58.00578	7.8
59.01384	36.5
61.98837	44.1
62.84689	6.0
69.84919	24.0
71.01386	29.8
73.02951	8.4
75.00869	13.7
78.95943	9.8
85.02959	10.2
86.02499	7.6
87.00893	14.3
89.02445	7.6
96.96011	14.2
98.20668	7.6
101.02423	8.7
104.03553	35.3
113.02455	15.0
116.92851	8.6
117.03523	7.5
119.05034	45.1
130.01445	24.1
145.02954	79.7
149.02414	30.1
150.03214	42.8
162.03168	8.5
162.05653	12.0
163.04001	7.3
164.04787	16.3
164.07066	7.5
165.05553	100.0
166.05902	7.0
169.33727	6.9
177.32632	6.9
195.06615	50.0
241.00224	9.6
250.07187	51.1
254.95439	7.9
318.00003	7.0
327.10812	49.5
338.31009	6.7
369.13705	12.8
411.10181	14.7
412.12317	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.127
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.95593	1.0
59.01388	9.4
61.98814	4.1
64.88719	1.0
69.69476	5.9
71.01382	6.3
72.00909	27.6
72.99312	1.7
73.02952	2.1
74.02473	18.2
80.50112	1.1
83.01369	1.0
85.02953	2.1
87.00854	5.1
89.02441	4.5
98.20594	2.2
99.00909	1.2
100.00405	21.7
100.04054	2.9
101.02437	3.9
104.14717	0.9
109.02950	1.1
111.34483	1.0
113.02442	4.1
118.05107	100.0
119.05457	2.8
120.01268	1.3
133.05026	2.7
134.04720	1.4
135.04509	3.4
143.40726	0.9
144.03027	19.3
149.00880	3.1
149.06071	3.9
160.02687	4.7
161.04539	3.2
172.88092	1.1
173.06076	2.0
174.03119	1.1
175.03961	1.9
197.44318	1.1
207.02962	1.6
207.06596	7.0
214.45723	1.1
217.05026	1.1
235.09659	1.6
254.27142	0.9
279.08624	2.1
279.14365	1.3
411.14493	1.6
411.19348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64408	0.9
58.00585	3.9
59.01379	100.0
60.01721	1.2
61.91060	0.8
61.98819	4.7
67.41055	0.8
71.62123	1.4
72.78516	0.9
72.96472	0.9
72.99304	8.6
74.92632	0.9
87.00875	47.7
87.98382	0.9
88.01244	1.3
96.96029	1.5
98.21114	0.8
99.04504	1.6
100.98846	0.8
103.00373	66.2
104.00741	1.2
112.98820	7.2
113.02403	1.1
119.05074	1.2
130.99867	27.5
134.03735	1.0
135.04482	2.1
145.03008	1.0
163.04018	1.4
179.03535	1.7
199.78166	0.8
235.17079	2.5
279.16003	27.9
280.16336	4.1
288.70819	0.9
411.16177	7.5
412.17020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19373	0.5
57.26735	0.6
59.01379	100.0
60.01702	1.8
69.03482	0.7
69.51160	4.1
71.00995	0.9
71.01385	16.1
72.99341	0.8
73.02945	12.6
79.78941	0.5
81.44641	0.6
83.01398	2.7
85.02503	0.6
85.02931	3.5
87.00887	1.2
89.02441	5.2
95.01384	1.4
96.96010	0.8
98.19827	0.5
99.00909	0.6
101.02444	13.5
104.52091	0.6
112.98806	1.0
113.02457	6.5
119.03469	1.5
119.05088	1.1
131.03525	1.7
135.04555	1.3
137.09746	4.2
138.10052	0.8
143.03543	1.1
149.01027	0.9
149.04543	0.7
161.04582	1.8
163.04018	1.3
189.12869	1.2
241.18608	0.7
417.94980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27082	1.0
52.79410	1.0
52.93552	1.3
55.57129	0.9
59.01378	3.0
61.98851	1.5
69.79716	2.3
69.80125	3.7
71.01385	1.8
96.95981	1.1
117.01981	1.1
135.03009	1.1
135.04532	1.2
162.91985	1.0
171.10213	1.4
178.10226	1.1
179.03510	1.3
195.13860	6.9
196.14467	1.3
223.13417	5.4
224.13783	1.2
256.13315	1.9
275.20245	7.9
293.21219	100.0
294.21558	13.5
324.32983	1.3
411.23801	7.5
412.24075	2.3
415.99536	1.3
438.74051	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01096	1.1
59.01381	18.5
61.98836	9.7
67.80857	0.9
69.64735	5.1
71.01387	3.3
72.99315	4.4
74.58298	0.8
75.00874	38.8
89.02446	6.3
99.92580	1.5
116.92855	1.6
117.01944	1.3
126.40276	1.0
129.19545	0.9
135.02998	40.9
143.24431	0.9
148.78336	1.0
187.94127	1.0
195.13962	7.5
200.07330	0.9
209.36203	1.0
223.13354	7.6
232.46564	0.9
249.83362	1.0
256.13202	1.3
275.20172	6.3
293.21228	100.0
294.18527	1.3
294.21552	13.3
411.25095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05151	2.6
59.01094	5.4
59.01382	100.0
59.26278	3.1
70.92670	6.2
70.92983	2.9
73.70388	2.8
150.59610	3.0
183.56810	2.9
201.03400	4.3
253.50060	2.9
297.89594	3.2
316.03372	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	410.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06236	0.6
58.11544	0.8
59.01379	19.6
61.98831	100.0
71.01376	2.7
73.02934	3.0
79.95744	1.5
80.96488	0.9
81.16209	0.7
83.01378	1.0
83.05031	0.9
85.02920	0.8
87.00875	2.2
89.02433	2.0
91.23965	0.8
95.01356	1.0
96.96008	9.9
98.19880	1.5
101.02436	3.7
103.00394	0.9
107.05021	1.3
112.98792	1.2
116.07731	0.9
123.11357	0.8
133.02954	1.4
134.03757	1.7
135.04533	1.8
149.00876	2.4
149.06078	3.0
158.68625	0.9
161.04541	1.2
177.05801	0.9
179.03493	1.9
203.03535	1.2
203.05412	1.0
276.09521	2.1
277.09830	1.3
278.10013	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31551	0.4
57.57215	0.4
59.01376	5.4
59.14179	0.4
61.98804	0.8
63.47291	0.4
67.01884	0.4
71.01385	2.8
71.03201	0.4
71.61816	0.5
72.99294	0.8
73.02946	1.3
74.02473	1.3
77.97963	0.4
82.02976	2.1
83.01368	1.0
85.02956	1.2
87.00877	3.3
89.02441	0.8
95.33630	0.4
97.02931	0.6
98.02467	0.7
99.00893	0.5
100.00408	0.5
101.02453	2.2
103.00377	1.2
108.02184	1.0
109.02990	0.7
112.98787	1.5
113.02441	1.1
117.03487	0.7
119.05040	0.8
126.01991	2.1
130.08733	0.8
130.99875	0.7
133.03026	0.4
133.05069	1.7
134.03719	1.5
135.04547	2.0
136.01678	2.5
137.02422	0.7
144.02925	0.6
144.37965	0.4
145.02951	1.7
149.00931	2.2
161.02409	0.4
161.04597	0.8
163.00291	1.0
163.03969	0.7
164.01186	1.5
175.04016	0.5
178.03223	0.8
179.03479	1.0
187.11208	0.7
190.99863	5.0
192.00635	91.6
193.00966	5.7
205.12360	0.7
206.02267	0.6
207.02977	100.0
208.03300	7.1
219.02866	0.5
223.10625	0.5
241.54430	0.4
249.13298	0.7
261.07254	0.9
262.57556	0.5
267.09845	1.6
277.06485	1.0
279.08765	0.8
279.12354	0.9
399.29501	0.4
411.04874	2.2
411.09360	1.6
411.13654	0.5
411.18719	0.5
412.13690	4.2
425.05621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66108	0.4
59.01373	5.1
61.98851	0.8
71.01385	1.9
72.99315	0.5
73.02940	1.1
74.02467	0.8
79.20246	0.3
82.02988	1.2
83.01388	0.5
85.02950	1.1
87.00871	2.8
88.04054	0.4
89.02452	1.0
98.02534	0.5
99.73026	0.3
100.00349	0.3
101.02452	2.0
103.00359	0.8
108.02188	1.4
112.98794	1.0
113.02467	0.9
119.05025	0.7
126.01963	1.0
130.08807	0.7
133.05075	1.1
134.03731	1.3
135.04512	1.7
136.01642	3.4
137.02432	0.5
144.03056	0.4
145.02957	1.0
149.00900	1.3
161.02420	0.5
161.04626	0.4
161.06085	0.4
163.00349	1.2
163.04007	0.8
164.01160	1.9
173.04323	0.4
173.10059	0.4
175.04057	0.6
178.02855	0.4
179.03473	0.9
187.11180	0.5
190.99858	5.3
192.00636	94.9
193.00952	5.9
206.02214	0.4
207.02975	100.0
208.03308	7.2
229.14841	0.4
235.05339	0.7
249.13486	0.8
267.09811	1.1
277.06631	0.7
279.04453	0.3
279.08856	1.0
279.12296	0.5
325.38580	0.3
394.12430	0.6
411.04807	0.8
411.08936	1.7
411.13620	0.6
411.18588	0.9
412.13571	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	409.2363
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
60.06544	0.2
69.91002	1.3
78.95908	68.8
91.03977	0.2
96.96964	5.9
150.98036	2.1
152.99596	100.0
153.99911	1.8
171.00650	2.7
195.36319	0.3
255.23285	1.8
277.21695	1.9
278.21902	0.3
351.08990	0.2
354.36411	0.3
409.23608	14.1
410.24030	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	409.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.8
57.03456	2.6
64.02020	0.7
69.03462	1.7
71.01365	0.9
71.36478	1.5
79.95761	1.4
95.05038	1.7
96.96013	6.1
99.00241	1.4
99.00886	28.1
100.01252	0.8
152.99570	1.5
170.63652	0.8
267.26920	19.9
268.27255	3.1
305.28531	2.1
321.31946	0.9
365.30600	100.0
366.30945	15.5
409.30032	13.2
410.30408	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	410.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96894	1.6
57.03443	1.9
58.00583	1.6
59.01381	38.3
60.01720	2.8
61.98833	100.0
63.61024	1.3
69.44601	10.8
71.01388	25.1
72.01729	3.5
72.99310	4.1
73.02946	9.6
75.00867	1.8
77.40502	1.5
83.01392	5.3
85.02942	8.9
86.03295	1.7
87.00900	5.9
89.02442	17.6
90.02790	4.0
93.03481	3.3
95.01365	2.3
95.05009	2.9
97.02951	1.9
99.00900	4.9
101.02438	20.1
102.02792	4.6
109.02948	2.0
110.06121	26.7
111.00899	4.7
113.02451	9.2
113.94960	1.5
114.02795	2.8
115.04063	2.0
116.05065	6.6
116.28407	1.5
116.92863	1.5
118.06614	4.4
119.03498	4.8
119.04956	2.1
122.06116	44.8
123.04623	1.5
123.06480	2.3
124.04048	1.6
131.03436	1.5
133.02950	1.8
134.04729	3.3
135.04546	9.0
137.02481	2.0
140.17465	1.3
141.20143	1.5
143.03497	1.5
144.04555	32.5
147.03279	2.0
149.00948	4.8
161.02499	4.3
161.04594	7.2
162.05644	34.0
163.04002	4.1
163.06152	2.4
177.01926	1.5
179.03532	3.4
179.05566	3.7
180.06024	2.7
187.07678	2.6
188.03551	6.9
192.00693	3.4
195.05368	2.4
203.31136	1.4
205.12358	1.9
207.03009	4.5
217.08745	2.5
255.11354	9.0
267.11426	21.0
268.11539	2.9
273.12479	6.0
278.10287	3.9
279.08725	2.7
279.14429	4.4
285.12454	61.0
286.12830	7.6
303.13516	28.8
303.16953	2.5
304.13797	3.6
347.12476	26.7
348.12759	4.1
350.19177	1.8
410.11798	2.6
410.17532	7.1
411.09418	2.7
411.18668	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	408.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.4
59.01379	4.5
61.98829	100.0
65.03211	0.4
71.01386	2.5
72.99327	0.7
73.02942	0.5
74.99091	2.2
75.00897	1.1
78.95921	1.2
85.02950	1.0
87.00887	1.7
89.02437	2.2
95.95244	1.8
96.95423	0.9
96.96012	8.1
96.96954	0.9
99.00884	0.5
101.02448	0.9
113.02494	0.6
114.05585	0.5
115.92096	0.5
119.03515	0.9
119.04964	0.6
120.63071	0.4
133.19720	0.5
135.04547	2.3
139.96458	0.4
142.05072	1.2
149.00940	2.1
149.02399	0.4
150.03064	0.5
160.03917	0.5
165.05626	1.4
179.03503	3.5
189.05640	0.6
291.48007	0.5
311.04587	0.4
323.13028	0.5
348.13104	0.6
376.10248	0.5
408.04193	1.8
408.09268	0.5
409.17200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18844	1.3
59.01379	3.6
63.10560	1.0
68.69595	1.0
69.70535	0.9
71.01385	1.2
72.99320	1.6
84.99313	10.2
87.00920	1.1
89.60256	1.1
96.96027	2.3
98.20575	2.2
103.48509	1.0
112.98815	100.0
113.99127	1.8
115.05565	2.0
117.03458	1.2
119.05063	1.8
122.73093	1.1
131.05013	3.9
132.94173	1.1
133.06598	9.9
145.06653	1.4
147.04521	82.4
148.04851	3.7
161.06096	9.1
171.04507	1.3
173.06073	1.1
177.37796	1.0
179.03525	1.3
189.05563	18.6
190.06073	1.7
207.44991	1.0
217.05023	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	406.2599
Annotation	Blacknidine
Peak:m/z	Relative Intensity
58.02982	1.8
59.01378	5.0
70.24021	1.0
70.24406	1.6
71.01376	0.8
72.10736	0.7
74.02467	1.9
75.77166	0.8
78.95914	1.3
82.03002	2.1
82.86050	0.7
84.04558	6.4
85.02953	1.0
87.58474	0.6
100.04060	1.5
100.07690	4.9
102.05611	78.9
103.00394	0.9
103.05958	2.0
103.38360	0.6
128.03542	100.0
129.03874	2.4
134.03783	0.8
146.04605	11.1
152.99596	2.5
158.29575	0.8
193.64404	0.6
231.10243	0.7
239.20152	2.2
259.20581	1.4
275.09296	2.3
277.21719	45.3
278.22025	5.7
316.26239	0.8
336.09674	0.6
362.27002	13.3
363.27289	2.4
388.24893	13.2
389.25110	2.2
406.26004	85.1
407.26346	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	407.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07516	0.8
58.00602	0.9
59.01095	1.1
59.01379	21.3
60.65255	0.7
69.58517	4.2
69.58916	1.4
72.99305	1.4
77.03957	0.7
82.63646	0.7
84.99313	1.4
85.85694	0.7
87.00408	0.6
87.00878	17.7
93.03456	0.8
95.05029	1.5
95.88587	0.8
97.06606	1.2
103.00372	11.6
105.03464	6.5
112.98802	14.1
113.99096	0.8
117.03468	2.0
119.05026	1.6
121.02955	0.8
123.04521	1.2
130.99878	3.1
133.02962	19.0
134.03746	37.0
135.04570	9.9
137.02415	3.6
145.02875	0.9
149.00925	2.8
161.02409	2.7
162.03238	13.5
162.35185	0.7
177.01942	7.2
178.02731	11.2
187.07648	1.0
203.10789	1.2
231.10260	37.1
232.10620	3.4
275.09256	100.0
276.09570	9.0
277.62552	0.7
406.41235	1.0
407.09579	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	407.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	1.6
59.01379	46.7
69.50690	1.3
69.51096	5.9
72.99296	3.2
80.10242	0.9
87.00877	26.3
87.01409	1.3
89.03988	8.4
97.06587	2.0
103.00375	21.6
105.03448	2.4
108.02153	1.3
109.02969	4.4
112.98816	14.4
117.03473	27.4
118.03856	0.9
130.99863	9.5
133.02962	12.9
134.03749	40.0
135.04544	22.9
136.04851	1.2
137.02448	6.3
139.03987	1.3
145.02942	2.4
149.00900	3.6
149.02443	1.0
161.02437	6.3
162.03249	20.6
163.03571	2.0
177.01939	10.8
178.02721	18.6
179.03218	2.2
231.10240	9.8
275.09262	100.0
276.09607	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	407.2204
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01367	0.5
62.96405	0.4
68.13223	0.4
69.97380	1.7
78.95902	100.0
82.45711	0.3
86.22781	0.3
96.96970	9.1
101.88656	0.3
133.02948	0.4
150.98030	1.5
152.99583	83.5
153.99902	2.0
171.00636	64.7
172.01001	1.4
196.99896	0.3
232.86526	0.4
243.79439	0.4
275.09482	0.5
407.22128	2.3
408.22656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0427
Annotation	Glucotropaeolin
Peak:m/z	Relative Intensity
54.80287	0.5
59.01378	2.9
61.98821	0.8
63.96229	0.9
64.97028	0.7
66.56528	0.5
70.92236	1.1
71.01385	1.6
73.30297	0.5
74.99099	45.6
75.99409	0.5
79.95741	12.7
80.96511	1.8
85.02950	1.7
87.00879	0.9
89.02460	1.4
95.95234	51.6
96.96011	100.0
97.95953	0.5
99.90650	0.5
101.02445	2.1
119.03506	0.9
128.81555	0.4
128.93213	0.7
132.04535	0.6
135.04509	2.2
138.97087	0.8
149.00899	1.8
149.02249	0.5
150.03185	0.9
160.12729	0.5
165.05553	1.3
166.03325	3.1
166.94473	0.5
179.03519	2.7
195.03343	2.3
212.00183	1.0
214.98283	1.1
258.83920	0.6
259.01300	2.0
262.10529	0.5
274.99042	1.2
276.09506	1.7
348.00369	0.5
361.13141	0.5
408.04263	42.7
409.04407	4.1
409.11945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	11.7
59.01373	0.7
61.98836	0.5
70.02989	0.6
74.02473	2.1
82.02979	2.2
83.06147	4.0
84.04556	5.3
97.04111	0.8
98.02448	0.9
99.05620	0.8
101.07204	8.2
107.02530	1.2
109.04082	9.9
125.03571	2.0
125.07221	2.8
127.05138	50.8
128.03537	10.7
128.05489	1.7
129.03920	0.6
136.76038	0.5
145.06192	47.4
146.06531	1.7
233.22742	0.6
257.27322	0.5
276.23279	0.7
279.93103	0.6
288.80188	0.5
343.27533	10.4
344.27646	1.6
361.28503	2.0
387.26382	8.0
388.26154	0.9
405.27496	100.0
406.27802	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	405.3372
Annotation	Tenuifolide B
Peak:m/z	Relative Intensity
71.61649	0.5
91.10258	0.4
96.95988	0.4
101.37189	0.4
111.10294	0.4
147.50739	0.4
173.97128	0.4
252.09554	0.4
337.16977	0.4
405.33734	100.0
406.34058	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	406.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02724	1.4
58.02980	14.1
59.01382	8.8
62.34204	1.1
66.95664	1.2
69.84965	7.2
69.85271	1.6
71.01363	2.2
72.00920	3.2
74.02476	26.9
76.72621	1.2
79.29735	1.3
81.04581	2.1
82.02974	3.4
84.04546	1.9
86.02483	13.0
87.00874	4.2
87.05624	5.6
88.04039	1.5
89.02448	4.5
97.04070	3.9
99.05640	25.4
101.02450	2.8
101.07212	5.9
102.05585	4.8
105.20132	1.3
107.06150	1.6
109.04102	4.3
110.02487	2.3
111.05622	3.6
112.04049	2.0
112.98824	2.8
113.02474	2.1
113.03495	1.4
119.05018	2.7
123.05620	2.9
124.04004	1.5
125.03555	3.9
126.01954	1.7
127.05162	6.3
128.03546	75.4
129.03883	2.2
133.06952	19.4
134.07231	1.6
135.05669	8.4
137.07286	2.0
141.06683	3.4
143.04626	100.0
144.04961	3.4
145.02917	2.9
145.06149	4.2
146.04652	10.2
149.00876	3.9
149.07114	2.2
153.06750	7.4
158.03741	2.1
159.04539	4.6
160.00758	1.4
166.09871	3.9
167.04564	2.2
167.08305	6.4
170.03339	2.2
171.04137	3.8
173.06082	4.1
179.04623	24.9
181.06248	2.6
182.51602	1.2
184.10788	1.5
185.05682	3.7
187.04036	2.0
187.07646	13.7
192.07774	3.6
197.05699	4.6
199.42329	1.5
202.06360	3.8
203.10742	2.9
210.08836	21.7
231.10239	7.7
254.07816	48.6
255.08105	1.9
272.08875	55.6
273.09158	2.8
275.09262	50.7
277.12314	4.8
283.88898	1.5
287.93823	1.5
298.59692	1.4
308.07455	2.0
338.85291	1.4
388.15359	9.5
389.15506	2.2
406.06390	2.6
406.16525	59.8
407.16730	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	406.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33004	1.7
58.02977	17.2
59.01384	12.2
66.30817	1.8
70.26520	7.3
71.01398	2.6
72.00894	2.0
74.02474	32.9
78.18298	1.5
82.03001	4.1
84.04568	3.2
86.02480	12.8
86.06136	2.8
87.00893	5.4
87.05634	5.5
89.02494	2.3
89.97600	1.6
97.04075	3.7
97.24329	1.8
99.05642	26.4
101.07204	5.0
102.05608	5.7
107.06145	1.8
109.04099	5.1
111.05656	2.4
112.04028	4.4
112.98804	3.6
119.05043	4.9
123.05655	2.4
125.03570	6.0
126.04359	2.1
127.05136	4.3
128.03543	75.7
129.03937	2.6
133.06935	16.3
135.05635	8.7
141.06610	2.5
141.10176	1.6
141.11252	2.0
143.04628	100.0
144.04964	3.2
145.02965	2.3
145.06192	4.3
146.04622	10.8
147.04982	1.8
153.06699	7.1
158.03706	4.2
159.04527	10.4
166.09857	2.9
167.04651	2.9
167.08243	5.5
170.03296	2.5
171.04117	3.8
173.06154	2.6
174.06917	2.9
179.04616	28.0
180.04955	2.3
181.06168	2.8
185.05684	4.6
187.07603	17.9
192.07835	2.9
197.05721	5.5
202.06395	5.7
203.10770	2.7
210.08820	22.2
231.10246	10.3
246.87418	1.8
254.07806	41.1
254.10236	3.2
255.08266	2.4
272.08890	56.2
273.09302	4.1
275.09256	60.4
277.12320	7.3
297.56686	1.7
308.07385	4.9
325.45956	1.8
388.15640	9.3
406.06238	4.1
406.16565	63.9
407.16891	8.4
407.21967	1.8
414.35785	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	405.241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87353	28.3
59.01381	67.0
61.98830	100.0
70.48585	64.4
70.48941	74.9
73.88294	32.9
85.52918	28.7
96.96004	54.0
105.70654	33.5
124.52395	32.1
144.24313	30.3
152.99553	78.4
156.06470	28.3
181.32927	30.1
221.10602	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
59.01374	2.4
61.98831	1.2
65.00690	0.5
69.61256	0.5
70.56351	0.4
71.11172	1.2
74.43478	0.5
83.05025	0.8
96.96008	1.3
107.08675	0.8
108.69023	0.5
109.06583	1.2
135.08214	0.8
137.09772	1.2
152.99568	0.6
154.61795	0.5
179.53848	0.5
181.12267	0.7
205.16069	0.5
207.17543	0.7
209.48611	0.6
211.13338	0.6
211.17097	0.6
213.14964	1.0
221.15636	0.6
223.17142	0.7
231.17589	0.7
233.19122	0.6
239.16508	2.7
241.18065	4.0
267.19681	2.4
275.16483	1.5
277.18280	0.5
293.21375	0.9
315.26920	2.1
317.28506	1.6
325.25314	4.0
326.25812	0.8
333.27890	2.3
341.24814	2.0
343.26367	4.3
351.23172	0.6
359.25916	3.2
360.26089	0.8
361.27423	3.8
362.27795	0.9
369.24237	4.9
377.27109	1.1
387.25406	11.4
388.25751	2.6
405.26456	100.0
406.26785	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	405.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	4.0
59.01385	1.4
70.30194	2.9
71.01384	0.7
83.05027	1.7
83.06181	1.7
84.04532	1.8
95.05024	1.1
96.96011	0.9
101.07198	2.7
109.04124	3.6
109.06582	1.1
111.08163	1.2
125.03556	0.7
125.07209	1.2
127.05138	17.3
128.03548	3.9
135.08139	1.1
145.06194	15.1
167.14345	0.8
211.13420	0.7
213.14932	1.7
219.68933	0.7
231.17378	0.8
239.16415	0.8
241.18100	1.1
267.19708	1.0
275.16437	1.0
313.25018	0.8
315.26935	1.5
323.22287	1.6
325.25388	4.1
341.24817	1.4
343.27087	4.4
344.27142	0.7
359.25879	2.1
361.27625	2.6
369.24268	2.9
387.25534	8.9
388.25952	1.4
405.26703	100.0
406.26981	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18977	0.9
59.01380	100.0
59.42595	1.1
71.01368	2.1
71.77813	0.9
72.99304	1.8
73.03005	0.9
74.60859	0.9
75.22524	0.9
85.02955	1.4
85.70618	1.0
87.00871	3.1
89.02442	3.0
91.01512	0.9
98.20676	2.0
99.00991	1.0
101.02450	2.5
113.02441	2.6
121.10225	2.4
145.06519	1.1
149.00908	10.2
152.31038	0.9
161.04550	1.8
172.05324	1.7
173.09688	1.0
175.03830	0.9
181.12206	1.0
183.10263	60.5
184.10573	3.5
199.07622	0.9
200.04735	1.4
201.09192	2.6
203.07056	1.1
207.10243	3.6
211.07614	1.2
213.19611	1.2
227.07323	2.1
229.08647	5.8
229.13202	0.9
229.52351	1.2
243.12357	3.9
273.07593	3.7
281.05414	1.0
281.09256	2.4
311.10321	3.4
372.98453	1.2
405.11871	1.1
405.25049	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	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
51.20699	0.5
55.01878	1.4
57.03448	12.9
57.25678	0.4
58.00596	4.6
59.01381	100.0
60.01709	1.3
60.39496	0.5
60.55808	0.4
61.98828	3.7
62.73649	0.4
68.99823	1.1
69.03461	0.5
71.01384	77.8
71.05006	0.5
71.60698	0.5
72.01740	1.4
72.99305	5.0
73.02957	5.1
75.00887	1.2
78.95902	0.7
83.01392	3.3
83.05035	1.9
85.02953	18.2
86.03288	0.5
87.00883	3.6
87.04536	0.6
89.02448	82.3
90.02792	1.5
92.57801	0.4
95.01403	6.2
95.05025	0.6
96.96982	0.9
97.02940	0.8
97.06562	0.7
99.00892	1.8
101.02451	38.3
102.02785	0.7
109.06590	1.0
111.04544	0.7
112.05325	2.9
112.63471	0.4
113.02459	29.6
114.02785	1.5
119.03510	31.4
120.03847	0.8
120.05811	0.8
122.06139	2.8
123.08180	0.6
124.81490	0.4
125.02450	1.4
125.06084	1.0
131.03493	2.9
131.08661	0.8
134.07381	4.1
135.08183	3.8
137.09726	3.1
138.06844	0.6
139.07663	7.2
141.09241	1.2
143.03519	4.8
145.02890	0.7
149.04550	2.4
149.09727	43.7
150.10078	3.4
152.04765	0.8
152.08432	1.2
153.09216	33.4
154.09555	1.6
159.02977	1.7
161.02432	1.4
161.04559	12.7
161.05867	0.9
162.02742	1.3
163.03914	0.5
163.11339	0.6
164.90350	0.5
167.10779	73.3
168.11116	4.8
171.10249	1.2
179.05615	9.3
180.05974	0.6
206.04523	0.6
207.13950	2.1
209.11806	4.4
225.15010	6.1
226.15254	0.5
233.10315	0.8
243.15990	21.0
244.16293	2.4
245.12953	1.1
289.11786	2.0
333.10684	0.5
342.09296	0.9
405.13104	0.9
405.21545	9.4
406.06152	1.0
406.21823	1.0
427.85870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.9
57.03453	9.4
58.00601	4.3
59.01381	100.0
60.01713	1.3
61.98825	3.6
63.36327	0.6
69.03490	0.7
71.01385	84.6
71.05020	5.7
72.01690	1.2
72.99306	6.4
73.02950	12.4
75.00874	1.3
81.03457	1.7
83.01382	7.4
83.05016	1.1
84.02170	5.7
85.02954	27.0
86.03285	0.6
87.00869	7.6
89.02448	77.5
90.02785	1.8
93.03481	0.6
95.01382	6.3
97.02931	2.8
97.06595	1.2
98.03740	0.9
99.00890	5.9
99.04524	3.0
101.02447	60.4
101.06086	17.0
102.02788	1.9
102.06421	0.7
107.05020	0.7
109.06593	1.3
110.03738	0.8
113.02453	35.7
113.06082	0.8
114.02763	1.0
115.00362	4.4
119.03506	35.1
119.05011	3.3
119.42496	0.6
120.03824	0.9
122.06091	0.9
123.08166	20.4
124.08525	0.9
125.02511	1.4
125.06092	8.8
129.01959	0.9
131.03539	4.0
135.04518	0.8
137.09753	1.1
138.05745	1.3
138.06868	4.3
139.07671	8.4
141.09221	61.5
142.09534	3.3
143.03522	5.5
143.04582	1.0
143.10851	0.7
145.02946	1.8
149.00909	1.9
149.04562	3.8
149.09734	0.8
151.11293	4.0
153.09215	4.3
153.12881	1.3
156.01256	2.4
159.03020	3.9
161.04561	23.0
163.04036	1.3
163.11261	1.1
165.09192	1.2
167.10791	1.8
170.67018	0.5
175.02483	10.6
177.12897	1.0
179.03450	0.9
179.03969	1.0
179.05618	11.2
181.12355	10.3
182.12599	0.9
183.10229	4.8
185.08250	0.7
189.12976	0.6
195.13841	4.1
200.04716	1.2
205.12288	1.6
206.04575	0.9
207.13911	2.1
222.76253	0.6
223.13383	2.0
225.14981	8.1
226.15295	0.7
229.08681	0.8
241.14455	1.2
243.16000	92.0
244.16356	8.9
273.07657	1.9
282.03021	0.6
299.10071	0.7
308.07471	0.6
326.10565	0.7
405.21341	49.6
406.06256	2.5
406.21695	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	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
67.45390	0.3
71.28329	0.5
75.29277	0.3
119.75250	0.3
162.43654	0.3
225.65652	0.3
262.19287	0.4
385.42780	0.4
410.40964	0.4
420.34253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37943	1.3
57.75462	1.4
58.02982	11.8
59.01386	8.3
61.98802	2.2
66.03485	2.0
69.75657	7.7
71.01388	7.7
72.00929	3.0
74.02478	26.0
81.04597	1.9
82.02981	3.8
86.02492	10.1
86.99107	3.0
87.00899	2.0
87.05633	6.5
89.02438	6.4
90.00190	4.0
97.04062	4.2
97.14223	1.5
99.05659	22.0
101.02448	4.7
101.07216	3.8
102.05614	2.7
109.04087	3.5
111.05679	1.6
112.04067	4.9
113.02480	2.7
119.03474	2.4
121.64949	1.4
123.05684	2.2
124.04102	1.4
125.03547	3.1
127.05133	3.8
128.03549	63.3
135.05679	4.7
141.06694	6.1
143.04631	80.5
144.04988	3.5
145.06183	3.6
146.04596	6.9
153.06696	5.4
160.00749	25.5
161.04520	1.8
166.09779	2.8
167.04616	6.2
167.08324	3.4
177.03374	10.3
179.04607	16.4
181.06258	2.0
185.05727	3.7
192.07648	2.1
197.05658	3.2
198.08798	3.3
207.13890	1.5
210.08870	13.6
242.07790	2.7
243.16081	1.5
254.07864	22.4
255.08105	1.8
272.08868	41.6
273.09268	1.8
288.06485	12.0
306.07657	100.0
307.08054	10.3
327.39343	1.5
328.64023	1.8
354.57111	1.7
404.20038	3.3
405.21155	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	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51049	4.0
59.01378	19.3
60.00778	4.3
61.98516	7.3
61.98830	100.0
66.25142	4.3
69.30466	14.7
69.30891	30.1
83.08426	4.2
95.23206	5.1
128.36816	4.5
134.03799	21.4
135.04028	5.8
192.04257	11.1
206.40018	4.6
341.71683	4.6
376.48035	5.2
404.17822	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	405.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00666	2.6
59.01375	33.2
61.98827	100.0
62.98555	3.7
70.43949	2.3
70.65039	5.9
71.01377	24.9
72.99293	2.8
73.02960	2.8
78.95901	7.3
83.04360	2.9
85.02959	4.9
87.00891	11.8
89.02446	31.6
96.96983	12.1
101.02440	13.8
113.02429	9.5
118.06832	2.6
119.03528	11.9
119.04993	2.7
120.01226	6.0
132.59894	2.3
134.03720	15.5
135.04526	63.9
136.04901	3.6
136.28825	2.3
137.02524	2.3
138.03258	2.4
147.04607	5.2
149.00906	2.3
149.02396	3.1
154.06195	2.6
161.04549	6.1
165.01898	2.8
165.05560	14.7
177.01907	27.8
178.02196	3.4
179.03421	3.3
179.05536	4.1
180.03981	2.5
192.04271	12.6
195.02959	3.5
195.06566	4.5
207.06474	3.4
210.05351	3.1
225.07660	7.3
243.15996	5.2
273.07727	4.7
297.09839	13.5
317.05069	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	4.8
59.01382	75.5
61.98833	100.0
66.38488	2.3
70.46453	3.8
70.46825	6.4
71.01387	55.8
72.99309	5.8
73.02952	4.0
75.00895	2.6
83.01376	3.7
85.02974	13.2
87.00878	8.3
89.02449	73.6
95.01385	4.7
101.02456	27.0
113.02458	23.8
114.05493	2.5
119.03500	26.5
121.02926	4.2
123.00948	2.2
131.03448	3.3
132.03207	2.1
135.04523	2.5
137.02393	3.6
141.09171	3.6
143.03529	2.9
147.04512	4.7
149.00943	2.5
149.02440	15.9
149.04510	2.6
161.04553	5.4
177.01936	79.8
178.02214	4.5
179.03572	4.7
179.05566	6.1
192.04285	34.8
193.04623	3.6
194.05821	2.5
195.02979	6.7
195.06610	8.8
207.06544	9.3
210.05312	5.7
225.07693	16.7
243.16043	4.3
274.52017	2.0
345.06512	2.2
345.10831	2.7
387.13361	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	403.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45545	2.6
59.01384	100.0
60.01744	2.7
60.52227	2.5
61.98834	22.9
69.85329	15.5
75.88954	2.8
77.43728	2.3
82.26317	2.6
88.97989	2.4
92.92817	3.3
105.03453	5.2
121.02969	4.2
130.89700	3.0
133.02974	32.6
134.03761	73.3
137.02472	9.2
139.04021	4.1
177.01985	21.8
178.02740	51.7
179.03265	6.3
192.04329	43.5
193.12308	3.3
204.18234	2.8
243.43410	2.7
327.15900	3.7
329.23453	7.5
382.83798	3.1
383.72104	2.9
387.81622	2.9
403.17569	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	404.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.7
58.00623	1.0
59.01380	34.4
61.98832	100.0
67.82246	0.6
69.67417	3.0
71.01385	24.0
72.99320	1.9
73.02957	1.9
74.02460	0.5
78.95898	2.3
83.01402	1.2
83.05010	0.6
85.02956	5.2
87.00890	2.1
89.02447	29.7
95.01408	1.9
98.19807	0.6
99.00895	0.6
101.02444	13.8
101.03075	0.8
113.02452	9.7
114.05612	0.5
119.03506	10.7
119.04971	2.6
121.02961	0.5
122.06146	2.1
125.02412	0.7
128.03532	1.1
131.03511	1.3
134.04791	0.7
134.07405	1.0
135.04549	6.3
137.02477	0.6
139.03973	0.6
139.07654	1.0
143.03528	1.6
143.04529	0.9
147.93159	0.4
149.00858	0.8
149.04582	0.7
149.09732	7.2
153.09218	4.4
161.02473	6.0
161.04527	3.6
163.09348	0.4
167.10771	13.3
179.03528	2.3
179.05609	3.1
181.05020	0.8
207.14107	0.6
224.06679	0.6
225.07883	0.5
225.15034	1.3
243.15945	3.9
245.13062	0.7
272.08948	0.8
273.07568	0.6
289.12079	0.8
306.07745	1.5
341.08807	3.0
368.13419	0.6
405.13235	1.2
405.22345	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	404.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.7
58.00623	1.0
59.01380	34.4
61.98832	100.0
67.82246	0.6
69.67417	3.0
71.01385	24.0
72.99320	1.9
73.02957	1.9
74.02460	0.5
78.95898	2.3
83.01402	1.2
83.05010	0.6
85.02956	5.2
87.00890	2.1
89.02447	29.7
95.01408	1.9
98.19807	0.6
99.00895	0.6
101.02444	13.8
101.03075	0.8
113.02452	9.7
114.05612	0.5
119.03506	10.7
119.04971	2.6
121.02961	0.5
122.06146	2.1
125.02412	0.7
128.03532	1.1
131.03511	1.3
134.04791	0.7
134.07405	1.0
135.04549	6.3
137.02477	0.6
139.03973	0.6
139.07654	1.0
143.03528	1.6
143.04529	0.9
147.93159	0.4
149.00858	0.8
149.04582	0.7
149.09732	7.2
153.09218	4.4
161.02473	6.0
161.04527	3.6
163.09348	0.4
167.10771	13.3
179.03528	2.3
179.05609	3.1
181.05020	0.8
207.14107	0.6
224.06679	0.6
225.07883	0.5
225.15034	1.3
243.15945	3.9
245.13062	0.7
272.08948	0.8
273.07568	0.6
289.12079	0.8
306.07745	1.5
341.08807	3.0
368.13419	0.6
405.13235	1.2
405.22345	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	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78110	0.3
55.01875	2.0
57.03447	4.3
58.00589	1.7
58.02975	11.5
59.01378	34.5
61.98827	4.7
62.49921	0.4
63.11459	0.3
66.03497	1.1
69.03445	0.4
69.38066	3.2
70.02967	1.5
71.01380	33.7
71.05039	0.6
72.00900	1.9
72.99310	2.4
73.02942	7.6
74.02473	24.6
75.00880	0.8
80.03807	0.5
81.03436	0.4
81.04573	1.4
82.02989	2.8
83.01392	4.2
83.05019	0.6
84.00922	0.4
84.04546	1.1
85.02949	11.8
85.04091	0.6
85.06596	0.6
86.02478	8.5
86.03274	0.5
86.06140	1.4
86.99117	2.4
87.00875	3.2
87.04526	0.5
87.05639	6.9
88.04041	1.1
89.02446	16.2
90.00200	2.2
95.01382	2.2
95.02469	0.4
95.05028	0.6
96.04552	0.7
97.02951	1.3
97.04062	2.8
98.02476	0.6
98.06119	0.5
98.19872	0.8
99.00881	4.0
99.04533	1.3
99.05641	19.2
101.02443	24.9
101.07223	2.7
102.02806	0.6
102.05602	2.8
107.05049	0.9
107.06142	1.9
109.02925	0.7
109.04060	2.8
109.06574	0.5
109.07723	1.1
110.02522	0.6
111.05639	1.8
112.04038	3.3
113.02449	10.7
113.03607	1.1
113.07212	0.5
114.02753	0.7
114.05621	0.6
116.01766	2.2
119.03499	7.1
119.04996	0.6
120.01252	1.2
121.02991	0.7
121.04073	0.4
123.04571	0.6
123.05657	1.7
123.08168	6.7
124.04054	1.2
125.02470	0.8
125.03580	2.0
125.06104	0.7
125.09726	1.0
126.01987	0.8
126.05548	0.4
127.05165	4.2
128.03543	55.9
129.06711	0.4
129.99684	0.9
131.03532	0.7
131.04633	1.1
135.04544	2.2
135.05655	5.1
135.08215	0.9
136.05273	0.6
137.06178	0.5
137.07210	1.3
137.09694	0.5
138.05609	0.5
138.06812	0.4
139.05118	0.5
139.07639	1.4
141.06705	6.0
141.09224	1.4
142.06369	1.4
143.04625	80.4
143.10812	0.7
145.02927	0.5
145.06183	3.2
146.04587	6.4
146.07349	0.5
147.08197	0.6
149.00835	0.4
149.04584	0.6
149.07169	0.6
151.07629	1.7
151.11336	0.4
153.06711	4.6
153.09219	1.3
155.08282	1.5
156.83290	0.4
159.02991	1.3
160.00742	21.8
161.04572	8.4
161.05870	0.3
161.09712	5.1
162.10071	0.5
163.03998	0.7
163.11224	0.7
164.08307	0.9
165.09204	1.0
166.05103	1.5
166.09877	2.5
167.03493	0.7
167.04657	5.9
167.07127	0.6
167.08316	3.3
167.10736	0.7
169.08659	0.5
170.03346	0.9
171.04181	1.2
171.07813	1.2
175.11235	0.8
177.03391	9.4
177.12749	0.4
179.04613	14.4
179.10760	3.0
180.07880	0.7
181.06248	2.2
184.10907	1.1
185.05736	2.5
187.11279	1.5
190.10049	0.6
191.10683	0.5
192.07779	1.7
193.12346	0.8
197.05711	2.9
198.08818	1.3
205.12332	7.3
206.12675	0.8
210.08841	14.0
211.09662	0.5
211.13396	1.1
213.03326	0.5
223.13388	9.3
224.13797	0.7
228.09937	1.2
231.04427	1.1
241.14445	21.5
242.07930	2.1
242.14832	2.0
253.10843	1.8
254.07808	23.0
260.08841	0.8
265.14404	0.4
271.15463	0.6
272.08868	36.8
288.06564	11.3
301.16568	0.5
306.07635	100.0
315.12393	0.6
366.08487	0.4
373.18649	5.1
374.19211	0.6
403.19785	16.9
404.14877	1.0
404.20108	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00572	4.3
59.01377	80.9
61.98829	7.1
69.49538	1.5
69.73312	9.5
69.73635	1.3
71.01368	3.3
72.99284	6.5
87.00873	28.3
87.04536	3.7
89.02435	2.9
97.06624	1.8
98.19895	1.6
101.02448	1.7
103.00374	35.7
105.57522	1.7
112.98840	5.8
113.80746	1.5
121.02959	2.2
121.26890	1.7
123.04503	2.0
130.99870	21.9
135.04530	12.3
149.00902	3.1
157.32570	1.6
161.06100	2.5
169.82698	1.6
179.03427	3.4
183.13885	5.8
199.07487	1.7
211.07533	2.1
213.09135	2.4
215.07175	1.9
229.08829	1.7
245.11745	1.6
253.18140	1.8
271.19150	100.0
272.19412	12.9
315.16040	1.7
327.12314	3.9
348.50632	1.6
359.14908	8.6
360.15057	2.8
403.14484	2.8
403.19693	8.4
403.26453	3.1
408.57175	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.6
61.98833	100.0
63.65874	3.1
71.01389	5.2
79.95363	3.8
98.20651	7.3
100.28902	3.5
108.37746	3.7
121.02975	59.7
122.03187	4.0
135.51593	4.0
148.16586	3.6
162.83855	5.9
179.14128	3.6
181.06668	5.8
225.05476	4.3
313.07144	13.5
357.06284	4.5
401.08792	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3058
Annotation	Androsterone Enanthate
Peak:m/z	Relative Intensity
59.01381	0.6
61.98818	0.6
69.32669	0.4
71.05011	1.2
71.61398	0.6
76.74609	0.5
96.95979	0.5
121.02979	2.6
139.25375	0.4
181.06514	0.6
216.75838	0.5
313.07162	0.6
401.30594	100.0
402.30917	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	402.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
61.98831	100.0
64.71555	0.6
69.94268	1.3
69.94673	2.5
76.50182	0.6
87.00898	0.6
89.02494	0.7
94.46320	0.6
123.00901	0.6
130.08788	2.4
185.22093	0.5
268.18677	0.6
402.11340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.86647	10.3
61.98834	15.7
70.93793	11.6
71.46323	13.0
86.92582	10.7
97.28323	13.0
120.98167	10.5
121.02962	12.6
167.10738	11.8
201.39529	11.2
264.85635	12.4
289.05209	12.9
403.26297	31.7
403.32095	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	403.1246
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
59.01380	61.0
61.98832	83.4
66.79851	2.3
69.46158	10.3
69.46578	6.1
71.01378	15.0
71.89175	2.3
72.90215	2.2
72.99314	15.5
73.02948	3.1
78.95898	7.3
83.01421	2.5
85.02954	6.7
87.00893	3.3
89.02459	11.9
95.01378	5.7
101.02467	6.6
113.02441	5.1
119.03491	2.1
121.02965	6.4
122.02517	3.1
123.00883	100.0
124.01693	26.6
127.00931	2.1
134.04747	2.5
135.04541	5.9
137.02403	6.3
138.03227	63.2
139.04018	71.6
140.04373	3.5
149.01117	3.0
149.02440	13.2
153.05537	2.6
155.01727	10.5
161.02444	5.2
161.04536	7.5
164.04854	12.5
179.03433	6.5
179.07135	4.9
181.05025	4.1
193.01288	2.2
193.05067	2.9
203.03659	1.9
203.05530	3.9
205.12418	3.0
208.03758	7.5
223.06122	16.9
223.13533	2.4
224.06300	2.2
241.07214	28.9
283.08200	2.5
317.07104	4.6
343.10327	17.5
403.12183	21.9
403.16458	2.2
404.12582	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	403.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59905	1.3
53.25191	1.2
58.27145	1.2
59.01377	49.5
61.98824	3.9
71.01380	5.3
71.60899	1.2
71.61324	1.4
72.99305	2.2
73.02953	3.8
85.02950	1.4
87.00889	4.1
87.04527	1.9
89.02433	3.0
89.03581	1.7
93.03461	2.0
95.05020	1.8
99.00892	1.8
99.18450	1.3
101.02453	2.1
103.36431	1.3
112.98795	1.5
113.02477	2.0
116.05005	1.2
119.03559	1.4
119.05010	1.7
122.06123	15.6
124.84538	1.2
129.05618	1.2
132.04501	1.1
135.04501	12.1
135.56361	1.3
138.67583	1.5
144.04579	4.5
145.05339	6.4
146.06107	7.0
148.04025	1.8
151.04016	1.3
159.03259	1.7
160.04044	41.5
161.04837	18.0
162.05562	2.2
176.03525	5.8
177.04263	6.3
179.03519	7.3
188.03450	2.2
189.04312	44.6
190.04880	6.2
193.03804	12.4
194.04105	1.7
203.05826	1.8
220.06157	1.9
221.03366	12.3
221.06882	13.7
222.03882	1.3
222.07280	1.7
224.10728	1.4
227.07184	3.4
239.92400	1.5
243.11375	5.7
253.05858	6.5
253.08556	2.1
253.54227	1.4
267.11362	28.3
268.11761	3.3
271.15405	2.3
283.10892	4.0
311.10370	47.6
312.10699	4.8
343.12964	100.0
344.13254	15.2
403.19553	3.7
403.23718	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	403.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60817	0.7
57.03460	1.7
58.00592	3.9
59.01379	84.2
60.01722	1.3
61.98831	75.9
71.01382	10.6
72.99295	7.1
73.02948	1.0
75.00893	0.9
83.01370	1.1
85.02965	3.4
87.00878	28.9
87.04515	3.8
89.02441	10.6
95.01377	0.8
96.95962	0.8
97.69166	0.7
99.00936	0.9
101.02456	6.1
103.00377	38.5
108.76345	0.8
109.02978	0.9
111.08120	0.9
112.98828	4.2
113.02406	4.5
119.03461	4.0
119.05046	2.4
121.02958	0.8
125.70626	0.8
126.99545	2.5
130.99863	18.5
133.02995	0.8
134.03777	1.1
135.04532	4.5
145.03011	0.9
149.00905	2.6
161.02477	1.3
161.04503	1.1
163.04002	2.5
165.12865	2.3
179.03462	2.8
183.13927	7.0
195.14014	1.3
199.13420	1.1
199.27402	0.8
227.12926	1.6
253.08746	3.3
253.18030	2.3
261.04205	1.3
271.19144	100.0
272.19470	10.1
359.14673	1.3
361.18372	1.0
403.19632	11.9
403.24573	1.0
403.27231	1.3
404.20209	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	401.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.5
61.98837	1.3
65.03960	6.7
67.40473	1.1
70.80257	2.2
76.46500	1.3
91.05518	4.1
97.06602	2.7
105.07059	2.7
115.05498	1.1
121.02950	19.0
125.09715	12.2
133.10237	1.4
137.08429	1.1
159.11777	1.5
181.06624	1.8
185.09714	3.0
187.14922	18.8
213.12886	2.2
231.13925	27.2
232.14233	2.4
234.48671	1.2
313.07172	5.3
339.23438	1.8
357.06024	1.7
357.24280	2.0
383.22150	3.2
384.22525	1.6
401.08881	5.9
401.23322	100.0
402.23563	14.9
422.46613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25334	1.0
59.01381	100.0
60.01712	1.3
61.98828	1.5
69.95408	4.4
76.60203	0.9
83.44630	1.0
98.95512	1.2
99.67364	0.8
112.51794	0.9
120.25220	1.0
121.02956	13.5
171.10446	1.0
181.06595	1.2
183.02873	1.1
187.30147	1.1
200.64682	1.0
244.65884	1.0
252.19244	1.1
313.07108	3.0
327.22208	1.8
357.05795	1.4
401.08676	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	401.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
58.00595	4.1
59.01380	100.0
60.01703	0.8
60.49183	0.6
62.15268	0.6
71.01383	1.6
71.05023	1.3
71.62546	1.1
72.02167	1.1
72.99306	4.6
73.02985	0.6
75.00852	0.6
82.87209	0.5
85.02953	1.1
87.00877	45.5
87.04514	33.3
88.01236	1.7
88.04854	0.9
95.34511	0.5
99.04532	2.0
101.02457	0.6
103.00375	53.2
104.00767	0.7
112.98800	3.5
119.05035	0.7
130.99866	26.5
132.00229	1.0
135.04530	1.9
137.09691	0.8
149.00874	0.8
165.12885	0.7
207.17561	2.4
247.75189	0.6
269.17566	79.1
270.17947	10.2
303.33365	0.7
317.83405	0.6
318.16364	0.7
401.18021	8.3
401.25327	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75998	0.5
57.03448	1.5
58.00594	4.4
59.01380	100.0
60.01714	0.9
61.98828	0.9
71.01392	1.6
71.05026	1.8
72.02152	0.7
72.99307	6.1
73.02946	1.0
74.96653	0.6
87.00878	43.0
87.04514	31.3
87.11333	0.5
88.01218	0.5
88.04867	0.8
99.04517	1.5
103.00372	52.4
104.00719	1.4
107.02795	0.6
112.98159	0.7
112.98808	3.9
119.05019	0.9
130.99867	26.3
135.04530	1.8
142.99849	1.0
149.00877	1.3
179.03566	1.0
189.16461	0.6
207.17561	2.1
232.39386	0.7
269.17569	84.8
270.17859	8.2
334.14694	0.6
401.13287	0.4
401.18134	9.6
401.25089	3.2
402.18478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
61.98832	0.7
65.03969	6.3
69.03415	0.9
69.80479	1.7
69.80887	3.3
75.11607	0.8
91.05537	4.7
97.06588	2.0
98.20527	1.0
98.62547	1.0
105.07102	2.9
115.05515	1.9
117.07095	1.2
119.08712	0.9
121.02954	11.7
123.08160	1.3
125.09718	13.5
126.05494	0.8
133.10233	2.5
135.08389	0.9
159.08076	0.9
159.11646	1.1
185.09766	1.5
185.13336	1.1
187.14926	22.2
188.15285	2.1
213.12849	3.5
227.14380	1.0
231.13885	32.9
232.14273	3.4
235.13319	1.3
285.15192	1.2
301.03094	1.0
313.07251	4.3
339.23343	1.4
357.06061	1.1
357.24442	2.3
383.22186	4.8
401.08945	4.0
401.23337	100.0
402.23694	18.1
402.28455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.1
57.03449	5.6
58.00592	1.4
59.01380	43.1
69.03440	4.0
71.01384	86.3
71.16787	2.0
72.01704	2.0
72.99287	2.6
73.02945	39.2
75.00854	2.2
83.01389	16.7
85.02952	43.6
86.03298	1.3
87.00854	5.3
89.02446	21.0
95.01389	6.8
97.02960	5.2
99.00879	19.1
101.02442	75.4
102.02745	1.3
111.00884	1.5
113.02448	32.5
114.02731	1.4
115.03987	3.9
125.02435	7.9
129.02020	1.5
131.03482	2.6
135.04489	0.9
143.03499	5.8
143.04457	1.1
149.04539	2.9
159.03017	6.3
161.04552	55.5
162.04861	1.9
191.05634	1.5
205.03519	1.8
233.06674	8.3
264.67728	1.0
269.10294	100.0
270.10632	8.6
293.08752	4.6
334.27042	0.9
401.14502	93.0
402.14798	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	401.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40389	0.9
58.00562	1.0
59.01382	100.0
60.01722	1.4
61.98829	6.4
63.34585	0.8
69.55845	4.4
69.56252	2.1
70.02956	0.9
71.01390	11.0
72.00929	0.8
72.99300	1.1
73.02933	1.1
74.02471	3.3
85.02947	2.5
87.00879	5.2
89.02442	9.8
93.03476	2.1
95.01374	1.8
98.02467	1.0
98.19854	1.1
101.02462	5.4
103.00368	1.1
109.02966	1.3
113.02438	4.1
114.05614	1.0
117.67671	0.9
119.03504	3.9
119.04984	1.0
121.02986	2.0
123.04493	2.2
134.03746	1.6
135.04552	8.2
137.02437	2.1
142.50125	0.9
146.03754	15.1
149.00925	1.7
152.04710	1.0
161.06075	6.2
163.04050	4.7
164.04800	17.6
165.05191	1.8
176.04720	1.0
178.03319	1.5
179.03584	1.6
179.07138	57.8
180.07521	4.1
180.12518	1.0
195.06532	1.2
197.08127	1.9
211.07576	1.4
221.11801	1.8
225.09186	1.9
239.09204	1.3
240.10342	1.7
254.11926	1.1
277.06693	1.0
295.08258	1.3
296.12851	1.8
298.10672	1.3
341.11084	1.1
359.12521	2.1
401.14011	15.5
402.13843	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	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03465	3.4
58.00583	3.2
59.01381	100.0
60.01722	2.0
61.98834	35.4
69.03450	1.6
70.02991	1.2
71.01386	57.4
71.61131	1.7
72.00922	1.3
72.99313	4.4
73.02947	36.4
74.02474	16.3
81.03449	1.4
83.01396	11.1
85.02950	11.3
87.00873	10.5
89.02447	25.2
95.01391	3.0
96.00880	5.7
98.02457	2.8
99.00896	3.0
101.02442	41.1
108.02190	2.0
109.02953	2.9
110.02503	1.6
111.00855	1.9
112.98748	1.5
113.02451	25.1
113.03606	2.5
119.03504	11.0
121.02956	3.7
122.03767	1.9
123.04509	4.2
125.02464	1.3
127.05113	3.2
128.03566	1.6
129.10352	1.5
131.03494	5.0
131.04622	2.8
131.08220	1.8
131.40419	1.4
135.04530	9.4
137.02417	2.5
137.06073	1.9
143.03488	2.1
145.02974	1.2
146.03754	17.1
147.04373	1.5
149.00885	2.4
149.02361	1.8
149.04649	1.3
151.07585	1.6
153.05585	1.7
155.08244	1.2
159.04527	1.4
161.04576	6.0
161.06094	6.2
163.03981	5.1
163.07671	1.7
164.04787	24.6
165.87601	1.1
166.08781	2.3
173.09343	2.8
177.05577	1.8
177.09258	1.6
178.06337	1.8
179.03552	2.7
179.05733	2.5
179.07132	52.2
179.10736	5.3
180.07480	4.3
182.05838	2.8
197.04567	1.4
197.08182	6.2
203.10725	5.7
211.14552	4.2
216.28584	1.3
221.08238	1.4
221.11818	9.1
239.09291	3.2
239.12839	1.7
278.03897	2.7
307.10748	1.4
322.17969	1.3
341.12408	8.7
359.13342	1.6
366.16669	26.7
367.16904	3.2
383.12616	2.1
383.19226	5.0
401.14032	2.4
401.17987	12.3
402.18900	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07949	12.4
59.01377	34.6
61.98825	46.3
71.62030	16.2
71.62414	13.9
101.29758	12.4
121.02978	100.0
151.58293	14.2
171.21454	11.0
277.14767	13.9
313.07141	29.9
401.08649	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05534	1.1
56.21239	1.3
59.01394	6.3
61.98830	71.9
68.99806	2.1
70.64072	1.7
70.64408	3.2
71.01381	7.1
72.99296	2.2
73.02948	4.7
73.06606	1.3
81.03445	1.4
83.01453	1.2
85.02959	7.9
87.00874	67.2
87.45885	1.3
89.02421	1.9
97.02921	1.6
101.02448	2.6
109.02947	2.0
111.00903	2.7
113.02457	4.2
119.03506	1.5
121.02966	1.7
123.00943	1.4
129.31908	1.4
131.03511	2.7
131.76770	1.2
135.04518	2.2
137.02467	3.1
138.03238	1.3
140.79630	1.5
147.02998	2.1
149.02448	4.9
150.03258	1.6
151.00383	3.2
153.05565	2.6
161.02429	4.5
164.04819	18.5
165.05571	6.8
166.02748	10.0
166.06328	1.4
176.04738	3.8
177.01918	2.6
177.05602	3.6
178.06273	1.5
179.03528	20.3
179.07127	49.5
180.03938	1.7
180.07439	3.2
181.05057	11.2
187.04016	2.3
190.02602	1.5
191.03468	3.4
191.07204	1.7
192.04182	2.6
193.05055	8.0
194.05843	14.8
197.04437	2.9
203.03424	3.3
205.05066	1.7
206.05798	1.4
207.03120	2.2
207.06558	3.0
209.08176	24.6
221.04506	1.4
231.02850	1.9
235.06175	2.6
237.07762	3.1
249.07739	2.3
250.04756	2.2
261.07599	3.2
265.07156	100.0
266.07526	10.1
279.08795	2.3
281.62885	1.3
295.08347	2.8
299.07990	1.7
325.09293	28.8
326.09875	1.9
401.10840	90.4
402.11255	12.6
419.78568	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1088
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
50.79514	1.5
53.82415	1.7
59.01368	12.9
68.65121	1.5
71.01392	13.2
71.01740	2.2
71.59618	2.3
72.99310	3.4
73.02951	8.8
85.02952	8.4
87.00877	61.9
88.01211	1.8
89.02446	10.6
97.02943	4.0
101.02430	6.9
101.79784	1.8
104.03531	1.6
109.79089	1.9
111.00871	2.1
113.02421	4.8
121.02973	2.2
123.00871	5.6
131.03482	3.0
131.50365	1.7
135.04532	12.3
137.02408	2.2
138.03253	3.9
149.02464	6.0
151.00359	5.1
153.05530	2.8
159.04515	2.3
160.56044	1.7
161.02473	6.4
163.01813	1.8
163.03967	7.4
164.04799	15.2
165.05511	6.7
166.02707	12.7
173.02428	2.1
175.03940	3.6
176.04797	6.7
177.02002	4.4
177.05582	9.2
178.06281	6.3
179.03496	14.3
179.05725	2.5
179.07135	33.0
180.07436	3.6
181.05046	9.7
190.02724	1.9
191.03490	10.5
192.04251	2.7
193.05083	8.4
194.05821	11.4
197.04526	4.2
203.03494	3.8
205.05162	4.2
205.72975	1.6
206.05815	2.9
207.06551	3.7
209.08183	11.5
218.05847	4.1
219.03090	3.5
221.04561	5.3
221.08182	4.2
222.05334	2.5
231.03001	2.7
237.07628	2.8
239.05574	7.7
246.05286	2.1
247.02432	2.5
247.06082	3.2
249.07602	3.4
261.07727	3.0
262.04800	4.8
265.07172	59.4
266.07468	4.5
277.07187	12.2
279.08273	1.7
295.08261	31.9
296.08517	4.4
312.25574	1.9
325.09195	12.3
327.88800	1.8
341.10999	10.7
342.11072	2.6
355.10358	10.7
370.82159	2.0
383.09644	3.2
401.10858	100.0
402.11084	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	401.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.1
64.91722	1.7
69.03483	2.3
69.82593	5.5
69.83000	4.5
71.01384	7.2
72.99311	2.6
73.02941	6.0
78.17187	1.5
83.01382	1.9
85.02941	7.3
87.00877	63.0
89.02453	2.5
101.02418	6.2
111.00816	1.8
113.02455	4.1
119.04949	1.7
121.02943	3.0
123.00883	8.2
135.04558	2.7
138.03249	3.0
149.02457	6.2
151.00391	2.8
153.05530	3.8
161.02451	10.5
163.03999	28.7
164.04800	19.9
165.05504	5.6
166.02748	8.4
173.02409	2.9
175.03958	5.6
176.04768	14.4
177.01872	4.7
178.02707	1.9
178.06357	22.6
179.03487	11.1
179.07129	35.1
180.07462	3.4
181.05077	10.6
187.04016	2.9
188.04723	3.6
190.02690	3.0
191.03510	25.2
191.07129	6.7
192.04298	4.1
193.05037	10.1
193.08687	4.5
194.05803	10.3
202.06291	3.9
203.03523	7.6
204.04214	2.7
205.05087	9.4
206.05750	9.7
207.03174	2.4
207.06644	3.0
209.08298	12.4
217.05058	2.1
218.05830	2.4
219.02991	7.1
219.06512	3.1
220.03600	3.0
221.04472	6.4
221.08183	9.6
222.05231	2.2
223.06197	1.7
233.08057	2.7
234.05351	4.4
235.05936	1.8
236.06877	3.0
237.07651	4.2
246.05199	2.4
247.02475	7.7
247.06090	6.7
249.07661	4.7
250.04817	2.4
251.09285	4.7
262.04840	13.9
265.07150	75.6
266.07483	5.7
277.07169	34.9
295.08218	91.4
296.08548	9.6
337.09039	2.7
355.10333	26.9
356.10767	2.6
383.09714	9.4
401.10843	100.0
402.11212	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	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49170	2.2
58.00580	3.4
58.58887	2.2
59.01382	100.0
63.63812	2.1
67.36845	2.0
70.29462	9.2
71.01325	2.4
72.99306	7.9
73.46825	2.4
87.00883	49.5
98.19884	2.5
99.04542	3.1
101.02431	2.6
103.00366	53.6
108.02152	3.8
112.98827	3.4
113.02361	2.3
119.04975	2.4
130.99876	25.5
149.00934	3.6
152.01169	3.2
166.03603	2.6
167.59769	2.1
179.10753	5.9
223.13365	7.4
226.26772	2.2
267.12756	3.8
267.16006	59.6
268.16364	5.0
399.16367	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
57.03448	2.9
58.00590	1.6
59.01381	100.0
60.01707	1.5
61.98822	1.4
69.03457	1.9
69.34709	6.1
71.01383	24.7
72.01739	0.9
72.99330	4.4
73.02955	6.6
75.00876	1.2
83.01398	7.2
85.02955	18.2
85.03445	1.1
86.00124	1.3
87.00881	7.0
88.06878	0.7
89.02431	3.9
95.01414	3.0
97.02990	0.9
97.06628	0.7
98.19846	1.4
99.00896	3.8
101.02446	14.6
103.00408	3.3
108.02187	4.3
109.02982	2.2
111.00882	0.8
112.01684	2.1
112.98817	1.2
113.02444	10.0
119.03474	1.1
119.05030	1.3
121.02970	4.8
122.03735	4.0
123.04632	0.8
125.02467	1.6
130.99886	2.0
134.03772	1.1
135.04517	10.5
136.05292	0.9
137.02464	2.6
139.07693	1.2
143.03516	1.0
149.00925	2.2
149.06087	1.0
152.01164	4.8
161.02541	1.6
161.04581	2.9
162.06895	2.0
163.04022	1.9
163.07675	1.4
177.05608	1.5
179.03497	4.2
179.76224	0.7
180.04330	1.8
180.07924	30.1
181.08507	3.2
182.55739	0.7
195.06609	0.9
195.10263	31.8
196.10661	2.3
223.13422	4.7
225.29388	0.8
237.11383	1.0
267.12424	6.1
267.15759	1.6
270.60565	0.7
291.12366	1.1
309.13443	1.1
324.12076	3.2
338.20303	0.8
339.14462	79.3
340.14795	10.3
357.15536	54.4
358.15894	7.4
399.12680	1.6
399.16922	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	400.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.9
61.98831	100.0
62.02547	0.3
70.27318	1.2
71.01382	3.5
72.99342	0.6
73.02966	0.8
74.02460	0.5
79.47745	0.4
82.56882	0.4
83.01411	0.5
85.02953	1.2
87.00894	1.5
87.78228	0.4
89.02448	3.1
93.03410	0.4
97.54268	0.3
98.20560	0.6
99.00903	1.0
101.02445	1.9
103.00417	0.7
108.02154	0.4
109.03000	0.8
113.02486	1.4
115.00387	1.6
119.03513	1.1
120.01197	0.4
121.02965	0.8
123.04518	0.7
132.00638	0.4
135.04543	1.2
137.02510	0.4
137.06090	0.5
149.00926	0.7
149.06056	1.7
152.01208	0.8
157.01427	0.4
159.03145	0.4
161.02441	2.2
161.04556	0.7
162.03088	0.4
165.01970	0.4
175.02505	1.0
175.04010	0.5
177.01944	3.1
177.09196	0.5
177.12775	0.5
179.03558	0.7
179.07120	0.8
179.10751	0.7
197.04652	0.5
197.08240	1.0
203.10818	0.5
221.11909	1.3
233.04523	2.8
237.04109	0.5
239.13083	0.4
277.03537	6.4
301.76373	0.3
319.04529	2.5
337.05783	2.0
357.17886	1.1
374.69949	0.4
400.05435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.3
58.00595	1.2
59.01379	100.0
59.11932	0.8
60.01717	1.2
68.65725	0.9
69.56975	4.2
71.01375	1.6
71.04998	1.2
72.99306	2.1
87.00876	26.0
103.00376	9.8
108.02161	1.7
112.98795	2.4
119.04994	1.2
126.76376	0.7
127.28829	0.9
130.99841	4.9
134.03790	0.9
135.04521	1.7
149.00917	10.6
152.01157	2.0
161.02423	1.1
161.13319	2.3
163.11328	1.7
179.03563	0.8
205.12318	1.0
207.10226	2.5
223.13383	66.2
224.13766	4.9
239.39401	0.8
267.12360	56.7
268.12646	5.2
399.13168	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	399.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.5
59.01381	100.0
60.01721	1.6
60.42646	0.8
60.99302	0.9
65.84491	1.0
68.54781	1.0
69.26807	1.0
69.27211	9.4
72.99310	5.1
83.05013	1.1
87.00876	25.3
89.53376	1.0
92.10274	1.0
93.21918	1.0
98.19919	2.2
101.17959	1.0
103.00368	15.7
107.91398	0.9
108.02201	1.4
112.98784	1.6
130.99860	7.0
149.00920	40.5
161.13391	1.9
206.51857	1.0
207.10316	2.3
223.13390	66.8
224.13721	6.0
255.10132	1.0
267.12369	52.4
268.12708	3.5
289.10098	1.1
399.12988	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43755	5.4
59.01380	72.7
61.98832	100.0
65.67973	6.2
70.45867	5.2
71.01389	44.4
71.59763	11.3
72.99322	8.1
73.02948	23.5
74.02467	6.0
75.00868	10.7
80.60516	4.6
82.46516	5.6
83.01399	12.3
85.02946	32.2
87.00884	18.5
87.55988	5.4
89.02462	24.1
92.95917	5.1
99.00883	12.8
101.02436	48.7
103.00379	7.8
103.04046	5.6
104.03558	5.2
108.04548	8.3
113.02454	15.6
113.40491	5.2
117.00435	15.4
119.03532	6.0
123.26398	4.6
125.02488	6.8
130.05118	8.0
131.01979	15.8
134.03723	16.3
135.04553	11.5
137.02475	6.2
149.00983	10.9
149.06029	27.7
152.01166	8.8
159.01501	8.9
161.04570	14.2
165.05589	9.5
177.07713	10.0
193.05144	8.0
194.08244	6.0
237.04141	9.6
237.09702	18.1
259.01587	5.8
267.08774	19.0
273.03357	7.3
287.04471	7.3
339.12915	35.0
371.03125	7.6
399.15305	15.2
400.15768	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	399.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22770	0.4
57.03447	1.4
58.00595	3.1
59.01381	100.0
60.01715	1.5
61.98838	0.5
69.03457	2.2
71.01393	1.2
71.62537	0.4
72.99310	7.1
73.02957	0.8
75.00859	0.4
83.05039	1.6
84.99303	0.4
85.02957	0.5
87.00877	40.0
88.01190	0.7
89.02478	0.4
95.05053	0.5
101.02470	0.9
103.00375	51.7
104.00722	1.0
107.05025	0.5
108.02193	1.8
109.02988	1.2
111.08172	0.6
112.98800	4.2
119.05024	0.7
121.02954	3.2
130.66565	0.4
130.99867	26.4
132.00179	0.9
133.03003	0.7
135.04529	4.0
135.11778	1.0
137.02457	1.0
145.02951	0.5
147.00838	0.5
149.00928	3.1
152.01160	3.9
155.07207	0.7
161.02449	1.9
161.13367	0.5
162.02844	0.5
163.04041	1.4
178.92758	0.4
179.03505	4.6
179.10754	2.9
180.04117	0.7
197.11800	0.6
207.10297	0.5
223.13397	14.6
224.13773	1.6
241.09598	0.5
261.55713	0.4
267.12479	12.3
267.16095	16.8
268.12759	1.3
268.16400	2.6
285.03586	0.6
382.09778	0.4
399.12204	2.8
399.17325	4.8
400.10861	0.7
400.16934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78222	1.4
57.03432	1.6
58.00591	3.9
59.01381	100.0
60.99376	1.5
61.98832	19.0
71.01379	3.5
71.12363	2.2
72.99304	7.8
74.02477	2.7
85.02952	5.5
85.37587	1.3
87.00878	45.0
89.44715	1.3
89.91024	1.3
91.11629	1.2
93.03470	1.4
93.62053	1.2
93.76083	1.2
101.02431	3.3
103.00375	54.6
108.02187	3.8
109.02937	4.9
111.00864	1.6
112.73901	1.2
112.98840	6.7
113.81721	1.2
120.01258	1.3
121.02938	2.1
123.04516	2.3
125.02433	1.5
129.01949	2.7
130.99854	23.0
131.33932	1.2
133.02852	1.3
134.03738	61.8
135.04420	4.7
136.01637	1.5
137.02484	3.4
145.02840	1.2
147.04579	2.6
149.00925	2.7
149.04866	2.1
149.06081	40.9
150.06747	4.2
151.20781	1.1
152.01053	5.8
161.02408	2.0
173.06036	4.6
175.02454	1.4
175.03911	1.9
177.01991	1.6
179.03432	1.9
191.03470	1.7
193.05003	9.3
194.05508	1.6
195.06599	3.8
217.08705	1.7
232.98952	1.3
267.08719	50.8
268.09070	4.5
337.79138	1.3
367.10254	3.3
380.66290	1.5
389.10031	1.2
399.09091	5.5
399.12402	1.2
399.15997	3.4
418.36755	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01385	24.7
61.98829	34.1
71.01390	2.8
71.30600	2.6
71.30932	1.4
72.99303	1.6
73.02930	1.3
74.02414	1.2
85.02952	13.3
87.00888	15.1
103.00385	12.5
108.02180	3.9
109.02940	3.4
111.00874	3.9
112.98777	3.3
123.04457	1.3
123.86391	1.3
125.02425	1.5
129.01915	5.3
130.99858	5.8
134.03740	100.0
135.04103	4.3
149.06084	60.2
150.06487	2.1
152.01181	7.1
161.02431	2.6
165.25829	1.3
173.06026	2.0
177.01913	4.4
178.02699	7.3
179.03328	1.8
193.05055	35.9
194.05327	3.2
195.06679	2.2
205.03418	2.4
223.04459	1.7
267.08734	95.8
268.09091	9.4
277.03561	2.0
295.65616	1.5
303.46521	1.4
364.31601	1.3
367.10376	1.6
399.09180	5.4
399.13501	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	398.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01376	3.6
61.98835	9.5
62.09911	0.4
62.54139	0.3
71.01371	2.9
71.07942	0.9
72.99317	1.0
73.02953	0.4
75.00878	0.5
78.95919	1.1
82.02983	0.5
83.01402	4.3
84.76915	0.4
85.02965	1.6
87.00893	1.4
89.02455	1.5
96.96979	1.8
99.00867	0.6
99.04496	0.6
101.02441	1.5
103.00367	0.8
107.03783	1.0
108.04557	100.0
109.04200	0.5
109.04890	3.9
113.02455	0.9
118.02998	1.5
119.05055	0.5
121.02949	0.5
134.03737	1.3
135.04518	0.5
140.85779	0.4
146.06082	0.6
148.07541	0.5
149.00917	0.5
149.04767	0.7
149.06090	1.9
150.03207	0.4
164.07135	1.1
165.05515	0.5
173.06090	0.7
174.00612	0.4
174.05573	2.3
176.05803	0.8
190.05138	2.9
191.05486	0.4
192.06662	41.7
193.05247	0.8
193.07031	2.5
194.08226	0.5
195.06572	0.4
207.08763	0.4
218.04558	1.1
236.05632	4.0
236.40508	0.4
237.00749	0.5
267.08890	1.3
339.12811	0.5
379.27145	0.5
398.10907	23.6
399.10675	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	398.1318
Annotation	Dafadine-C
Peak:m/z	Relative Intensity
63.99982	2.7
71.25032	2.0
96.96014	4.0
99.92589	72.3
100.92593	5.1
103.35277	2.2
115.92094	17.2
116.92891	12.4
118.89983	100.0
119.89998	7.7
134.89478	9.6
135.90256	21.8
141.93701	3.0
150.88979	8.7
336.39566	2.1
362.15604	18.7
363.15884	3.4
364.69095	2.1
367.83524	2.2
398.13208	77.4
398.23431	5.0
399.13361	16.0
399.21945	3.5
404.85495	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85120	0.8
52.87815	0.8
59.01379	100.0
60.01709	1.7
61.98837	11.9
69.50525	5.6
72.03123	0.9
75.59595	1.0
86.02487	1.8
108.02156	1.2
130.23604	1.1
205.64656	1.2
280.65161	1.1
320.25903	4.1
338.26978	8.0
339.27026	1.0
389.50452	1.3
398.11121	1.5
423.15613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
56.75657	1.4
57.03449	2.7
58.15367	1.2
59.01383	25.9
68.90240	1.3
68.99807	3.5
69.58533	8.6
71.01382	23.4
72.99311	8.5
73.02951	8.6
73.19049	1.3
79.12228	1.2
80.82043	1.1
83.01384	4.4
84.99310	12.6
85.02956	12.5
87.00870	15.4
89.02448	4.7
93.03466	3.0
93.64054	1.2
95.01408	1.7
99.00848	2.2
101.02439	19.3
103.00361	3.5
105.27914	1.2
108.02155	3.4
111.00875	1.6
112.98814	100.0
113.02435	13.2
113.99164	2.8
117.03494	6.9
119.05026	96.3
120.05364	2.8
121.02955	28.4
121.82417	1.3
122.03268	1.5
123.04472	1.6
125.02428	1.5
127.00354	5.5
129.03427	2.2
130.99860	2.0
131.05083	2.1
133.02960	1.5
135.04500	8.7
143.04980	3.5
145.02959	34.4
147.04527	17.7
149.00911	3.1
152.01117	4.0
159.02940	2.0
159.04666	1.3
161.02361	1.7
161.04552	9.7
161.06070	4.6
163.04010	78.8
164.04361	5.5
171.04451	1.4
171.12114	1.3
173.44316	1.5
175.04001	14.7
179.03484	1.6
189.05556	1.8
203.03505	53.0
204.03865	4.3
205.05107	1.7
215.03564	10.1
223.13403	5.7
229.52638	1.4
259.02414	3.8
267.12463	3.3
277.03537	38.1
278.03943	3.4
399.09433	2.9
399.23840	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	398.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01376	3.6
61.98835	9.5
62.09911	0.4
62.54139	0.3
71.01371	2.9
71.07942	0.9
72.99317	1.0
73.02953	0.4
75.00878	0.5
78.95919	1.1
82.02983	0.5
83.01402	4.3
84.76915	0.4
85.02965	1.6
87.00893	1.4
89.02455	1.5
96.96979	1.8
99.00867	0.6
99.04496	0.6
101.02441	1.5
103.00367	0.8
107.03783	1.0
108.04557	100.0
109.04200	0.5
109.04890	3.9
113.02455	0.9
118.02998	1.5
119.05055	0.5
121.02949	0.5
134.03737	1.3
135.04518	0.5
140.85779	0.4
146.06082	0.6
148.07541	0.5
149.00917	0.5
149.04767	0.7
149.06090	1.9
150.03207	0.4
164.07135	1.1
165.05515	0.5
173.06090	0.7
174.00612	0.4
174.05573	2.3
176.05803	0.8
190.05138	2.9
191.05486	0.4
192.06662	41.7
193.05247	0.8
193.07031	2.5
194.08226	0.5
195.06572	0.4
207.08763	0.4
218.04558	1.1
236.05632	4.0
236.40508	0.4
237.00749	0.5
267.08890	1.3
339.12811	0.5
379.27145	0.5
398.10907	23.6
399.10675	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	397.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01646	0.7
55.01872	5.0
57.03443	5.4
58.00587	2.6
58.55007	0.8
59.01380	60.3
59.13098	0.8
60.01730	1.1
61.98824	6.0
69.03451	3.8
69.41202	3.3
69.41624	3.1
71.01384	100.0
71.05023	1.0
72.01729	2.8
72.99310	6.5
73.02946	29.4
75.00865	5.1
81.03462	1.6
83.01384	15.1
85.02953	40.6
86.03271	1.3
87.00877	9.8
87.04519	0.9
89.02444	49.2
90.02787	1.4
93.03465	2.5
95.01376	6.5
96.96026	1.3
97.02946	5.7
98.20582	1.3
99.00887	18.9
101.02446	81.2
101.06088	1.2
102.02795	2.2
103.07641	1.1
106.04217	1.0
109.03000	1.6
111.00893	4.5
113.02446	31.9
113.03226	1.8
114.02797	1.3
115.04012	3.6
117.03487	1.0
117.05585	3.2
119.03561	5.2
119.05030	13.1
125.02473	10.2
129.01959	2.3
131.03510	12.6
133.06535	1.9
134.03732	11.2
134.04736	10.0
135.04561	2.1
137.02460	3.0
143.03479	5.3
145.02983	3.0
147.04565	1.8
149.00885	2.9
149.02164	0.8
149.04556	15.8
149.06078	13.6
151.57135	0.9
159.03014	5.6
159.04251	1.2
160.01582	1.2
161.02487	1.5
161.04558	35.0
162.04874	0.9
163.04036	9.1
173.06049	2.0
175.04005	2.0
178.02655	1.8
179.03342	0.8
191.03558	1.7
191.05582	3.7
191.07152	1.5
193.05025	5.9
205.03368	1.0
233.06602	7.2
235.06192	4.6
235.11917	4.9
264.01611	1.0
265.12915	67.2
266.13254	6.0
293.08762	2.2
305.55103	0.9
397.17145	96.6
398.12210	1.2
398.17401	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	397.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	6.1
57.03447	5.6
58.00588	2.3
59.01379	76.5
61.98827	2.0
66.91722	0.7
69.03452	3.7
71.01382	100.0
71.05016	0.9
71.60754	1.1
72.01717	2.6
72.99318	5.4
73.02947	26.5
75.00876	1.9
81.03467	1.4
83.01386	14.6
85.02951	36.7
86.03292	1.2
86.66372	0.9
87.00888	6.7
87.04543	0.9
89.02444	62.2
90.02782	1.8
93.03471	1.5
95.01399	6.0
97.02957	4.6
99.00876	10.1
100.36113	0.8
101.02440	78.6
101.06107	1.2
102.02771	2.0
103.00378	1.5
106.04226	1.8
109.02917	1.7
111.00881	10.4
113.02451	33.7
115.03985	3.6
117.05566	3.6
119.03514	6.4
119.05010	2.4
119.79710	0.8
122.06142	0.9
125.02454	7.5
129.01945	2.3
131.03500	23.8
133.06606	1.9
134.03758	9.0
135.04449	1.2
137.02429	3.3
143.03511	5.9
145.02960	3.6
149.00926	2.0
149.04536	24.5
149.06033	9.0
158.86243	0.9
159.02957	3.3
161.04561	28.9
162.04921	1.0
163.03986	2.0
173.04585	1.5
173.06068	1.6
175.03931	1.0
179.03421	1.8
191.03542	1.3
191.05560	3.5
191.07103	2.2
193.05045	5.5
217.05046	1.6
233.06665	8.5
235.06146	2.3
235.11858	15.4
236.12329	1.2
247.11815	1.1
265.12921	42.1
266.13190	3.2
293.08759	3.1
303.07086	1.5
307.48520	0.9
377.25900	1.0
397.12036	3.0
397.17108	69.1
398.12256	1.4
398.17474	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	397.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68554	0.4
59.01377	4.4
70.76936	0.7
70.77272	0.9
71.01391	1.4
72.99323	0.6
73.02960	0.6
80.50868	0.4
87.00889	2.0
93.03484	0.7
101.02438	0.7
103.00385	1.3
106.04285	0.5
109.02957	0.8
111.00890	0.5
121.02951	2.1
125.02505	0.5
130.99875	0.5
133.02959	2.7
134.03745	62.0
135.04051	3.7
137.02438	9.7
138.02794	0.5
139.04016	3.5
149.00842	0.7
149.06085	18.4
150.03343	1.1
150.06412	1.0
159.04556	0.7
160.01761	0.5
161.02440	0.5
175.03978	1.0
178.02718	34.9
179.02998	3.4
193.05055	100.0
194.05380	6.9
244.20674	0.4
265.10764	1.3
295.85257	0.5
397.11252	0.9
397.20609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89442	2.1
55.01883	5.3
57.03433	5.3
58.00589	5.6
58.93188	2.0
59.01381	100.0
61.98817	6.4
68.99807	2.2
69.03456	6.8
71.01382	93.4
72.01744	2.5
72.99313	9.6
73.02950	21.8
75.00853	3.7
81.03481	5.1
83.01404	12.2
85.02947	23.0
87.00872	21.8
89.02443	79.6
91.04021	2.5
95.01402	7.7
97.02953	17.7
97.20998	2.1
99.00890	8.7
101.02441	84.0
104.49307	2.2
111.04540	6.2
113.02448	30.0
115.03984	3.5
119.03505	25.6
121.02928	4.1
125.02435	26.9
127.04021	2.7
133.05040	5.2
139.03990	5.8
143.03485	13.4
161.04543	17.5
169.05017	3.1
179.05566	6.8
203.05687	2.6
217.07127	4.1
221.06656	6.2
235.08186	22.1
263.07928	2.8
287.07791	2.8
397.13483	84.2
398.13791	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.7
57.03446	4.6
58.00593	5.5
59.01093	5.4
59.01384	95.9
61.98832	3.3
69.03440	4.0
70.29859	8.1
71.01388	100.0
72.99313	10.3
73.02949	20.9
75.00846	3.5
81.03458	3.7
83.01389	13.0
83.05023	3.3
85.02950	20.7
87.00881	23.1
89.02454	77.2
95.01408	7.6
97.02979	15.7
99.00880	7.6
101.02452	87.0
113.02446	32.8
117.72864	3.0
119.03518	30.5
125.02464	29.5
131.03537	4.8
133.05078	6.1
136.92596	3.2
139.03996	4.0
143.03482	12.8
149.04599	3.1
150.75365	2.9
161.04550	12.2
163.11372	2.8
174.08243	3.2
179.05597	5.6
185.04558	3.3
209.14420	2.9
221.06673	6.9
235.08195	25.8
236.08440	3.6
253.09262	3.3
267.92264	3.4
277.21640	4.7
305.09024	3.5
343.73312	2.9
379.12766	3.6
397.13541	85.4
398.13809	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	397.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99917	0.8
57.03459	0.7
58.00581	2.1
59.01378	36.4
67.36359	0.8
68.19392	0.8
71.01382	2.6
71.62126	1.4
72.99309	2.8
73.02959	1.5
85.02943	1.9
87.00877	29.9
99.04515	15.1
101.02439	1.9
103.00378	14.8
112.98798	3.5
113.02438	1.2
116.47790	0.9
119.05046	1.5
130.99849	5.2
135.04517	1.8
144.95189	0.8
149.00851	1.2
161.04500	1.5
179.10815	0.8
197.11929	0.8
203.14435	5.0
221.15463	29.6
222.15823	2.8
265.14438	100.0
266.14722	11.7
397.15173	3.2
397.21945	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	395.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72727	0.6
59.01365	2.0
61.98822	0.6
69.60829	0.5
70.63439	0.7
70.63783	1.2
71.01364	1.1
73.02951	0.7
75.00874	1.0
78.95892	2.9
87.00867	1.1
110.98541	2.0
117.01913	1.9
135.03000	3.0
165.14742	0.6
167.01099	1.0
178.96545	0.6
185.02199	1.7
225.56790	0.6
227.20166	75.6
228.20474	7.6
269.44971	0.7
277.21719	100.0
278.22058	13.2
311.16995	1.0
337.33914	0.6
395.21783	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	395.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08999	0.6
59.01373	2.7
60.39090	0.5
61.98814	0.7
71.01385	0.6
73.30903	0.6
75.00891	0.6
76.43456	0.6
99.92574	0.7
116.92873	0.9
117.01945	2.8
135.03004	0.9
223.84987	0.7
229.46329	0.6
259.20517	1.1
277.21704	100.0
278.22031	13.7
395.24393	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	396.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71406	0.4
54.39944	0.5
59.01382	1.0
61.98834	0.5
64.36707	0.5
69.50355	3.0
69.50767	0.9
79.95773	0.5
89.02454	0.5
94.12768	0.5
96.96012	4.1
97.93125	1.1
98.20641	0.8
99.92584	57.9
100.92598	3.3
101.02436	0.9
110.17964	0.5
110.55149	0.4
111.96757	0.4
115.92085	11.2
116.92115	1.0
116.92855	11.4
117.92931	0.7
118.89977	100.0
119.89993	6.5
119.90772	0.8
134.89482	6.9
135.90247	17.8
136.90256	1.2
141.93692	1.3
142.18974	0.5
150.88963	8.2
157.69154	0.4
163.63123	0.5
216.96394	0.5
218.29144	0.5
246.98128	0.5
251.36861	0.5
277.21841	1.0
278.22049	0.7
279.23199	1.7
360.13980	11.7
361.14218	2.5
396.11621	44.0
397.11823	9.9
397.22586	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	396.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	1.9
61.98829	37.1
69.72035	3.1
85.75628	0.5
87.00894	0.5
88.26392	0.4
88.89266	0.5
96.96069	0.6
98.19868	1.0
100.86182	0.5
105.11643	0.5
106.17069	0.5
124.74084	0.5
159.65295	0.6
164.04227	0.5
304.79483	0.6
396.25049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42848	0.9
59.01379	34.7
61.98835	5.7
71.01392	8.1
71.20549	1.1
71.85299	0.9
72.99274	1.2
73.02946	3.4
75.00854	1.0
80.81968	0.8
83.01364	1.4
85.02944	3.8
87.00870	2.7
87.04530	0.8
88.12769	1.1
89.02444	0.9
92.27205	0.9
95.01365	0.9
97.02145	0.9
99.00872	1.3
101.02448	4.5
103.00378	2.0
106.04237	17.5
113.02433	3.3
119.04994	2.0
121.03004	2.3
128.03481	0.9
133.02917	3.8
134.03745	100.0
135.04375	3.8
137.02438	7.3
139.04025	1.8
148.05307	1.4
149.00867	2.2
149.06087	97.8
150.06435	4.4
152.99590	1.0
161.02438	2.2
161.04547	3.5
161.06000	1.0
163.04024	1.9
173.06029	1.0
175.03960	2.1
178.02719	18.5
179.03380	2.4
191.03598	1.6
193.05067	68.2
194.05426	4.8
211.07693	1.0
221.11809	1.3
265.10843	2.2
279.08658	1.3
343.45493	0.9
397.17465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80683	0.8
57.03436	1.0
58.00583	3.0
59.01378	51.2
61.98827	1.9
68.99808	1.1
71.01383	2.4
71.62051	1.1
72.99297	4.0
73.02962	1.3
75.12077	0.8
75.83783	0.8
77.59932	0.8
84.23955	0.8
85.02931	0.9
87.00879	32.8
88.01199	1.1
88.04045	1.1
97.02908	1.2
101.18230	0.9
103.00375	32.7
107.04946	1.2
109.02954	1.2
111.04438	0.9
112.98815	10.4
113.02437	1.0
115.00298	0.8
119.05030	2.3
119.08652	1.0
125.06060	2.2
130.99852	14.2
132.02998	2.0
134.03709	1.7
135.04532	17.8
136.04895	3.2
149.00912	3.4
151.07619	1.1
152.08406	1.8
163.07567	1.0
179.03426	2.8
185.09740	1.8
189.09233	2.0
189.63667	0.8
201.12859	9.0
203.10732	5.9
204.11533	27.3
205.11903	2.2
219.10519	1.3
219.13905	28.5
220.14308	2.0
242.86760	0.9
263.12854	100.0
264.13226	10.2
271.02512	1.3
272.02789	1.8
300.02783	2.2
301.03339	2.0
395.13947	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	395.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85126	0.5
55.14394	0.5
59.01367	1.3
61.95223	0.5
62.85906	0.5
64.81927	0.5
71.01394	0.7
71.62579	0.6
73.02966	0.6
73.03824	0.5
73.60493	0.5
74.48359	0.5
75.00863	1.5
76.07716	0.5
78.95914	4.1
83.87601	0.5
87.00884	0.5
110.98530	2.8
117.01937	1.9
122.72288	0.7
135.03017	3.2
137.50871	0.6
143.44551	0.5
167.01115	1.3
185.02202	2.3
192.32396	0.6
227.20163	100.0
228.20514	9.7
275.20001	0.6
277.21719	77.2
278.22079	10.9
395.22079	5.2
395.27527	1.1
396.22531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98114	0.2
59.01373	1.5
70.04493	0.6
70.04909	0.9
71.01373	0.8
75.00843	0.3
78.95895	0.5
89.02406	0.3
93.09888	0.2
98.19941	0.4
117.01912	0.6
135.02991	1.2
152.99507	0.6
222.65797	0.3
259.20364	0.4
275.20053	0.4
277.21710	100.0
278.22061	12.9
353.87634	0.3
395.24295	1.2
396.24615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.8
59.01379	3.9
61.01012	3.9
68.99815	1.4
69.03438	1.0
70.77405	2.1
70.77759	1.0
71.01382	3.5
72.99320	4.4
73.02950	1.7
75.00859	2.8
75.02576	3.6
78.95910	1.6
83.01379	2.2
85.01034	4.2
85.02940	2.1
87.00873	1.6
87.04504	1.7
89.02441	3.1
94.81551	0.9
96.96983	3.4
96.99300	1.1
99.00872	3.2
99.02608	1.9
101.02440	5.3
103.00397	1.0
112.98829	7.7
113.00536	0.9
113.02464	1.0
114.05655	1.5
114.98431	1.0
115.02116	4.3
124.98774	1.4
127.02045	1.1
129.02019	0.9
129.03615	1.2
131.03479	1.5
133.01482	1.7
142.99857	1.9
143.01625	1.6
145.01407	2.8
154.99896	1.2
157.01413	3.1
157.03131	13.4
159.03003	1.3
171.01096	4.7
175.04185	9.6
187.02495	1.1
189.05775	8.2
190.04100	1.1
217.05241	4.1
247.02690	4.0
251.08130	1.2
263.05814	13.0
303.05371	3.2
363.07504	2.0
378.23868	0.9
395.10040	100.0
396.10440	9.5
396.15015	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.9
57.03436	1.7
59.01385	3.5
60.01378	0.6
61.01027	3.7
65.70358	0.6
68.99802	2.0
69.03454	1.6
69.36237	5.5
69.36556	0.9
71.01390	3.8
72.99300	3.1
73.02946	1.3
73.04230	0.5
75.00895	2.9
75.02579	2.3
78.95908	1.2
80.99791	0.6
83.01380	2.5
85.01015	4.3
85.02960	1.8
87.00882	1.9
87.04514	1.5
89.02441	2.3
90.34209	0.6
96.96972	2.7
99.00886	3.6
99.02584	1.0
101.02466	4.3
103.00382	1.5
112.98814	6.6
114.98471	1.5
115.02097	4.9
117.20171	0.6
124.98797	1.7
127.02065	1.6
129.03647	1.4
131.03465	1.2
142.99889	2.4
143.01595	2.2
145.01459	3.8
145.03133	1.5
149.04568	1.8
154.99927	1.1
157.01428	3.7
157.03130	12.9
171.01057	5.2
173.00916	0.8
175.04207	9.0
175.78036	0.6
184.17798	0.7
187.00687	1.4
187.02493	2.4
189.05742	9.4
199.00664	0.7
217.05264	3.0
231.03046	1.1
247.02695	4.2
259.06229	1.3
263.05814	13.8
264.06329	1.1
303.05252	2.5
307.61475	0.6
363.07309	2.6
395.10043	100.0
396.10388	11.1
396.15103	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.1
58.00586	2.3
59.01382	41.0
61.98816	2.0
67.20458	1.3
69.03470	1.2
69.53053	8.8
71.01376	6.3
72.99316	2.6
83.05011	2.5
87.00881	33.5
88.04039	3.0
95.05022	1.5
97.02956	7.3
101.02464	1.6
103.00376	21.4
105.07121	3.2
107.05058	1.8
108.05813	6.1
109.02955	4.2
111.04504	7.9
112.98819	6.1
113.02445	2.1
113.06084	6.0
119.05047	3.2
119.08664	1.6
121.02901	2.4
121.06580	1.5
122.03735	4.0
123.08167	5.7
125.06061	9.3
130.99883	13.4
132.03050	4.8
134.03680	2.1
135.04541	11.4
135.08211	1.9
136.05354	6.7
137.06087	4.1
138.06865	10.7
139.07658	24.4
140.07988	2.1
148.05330	3.9
149.00908	5.3
149.06044	3.4
151.07646	50.4
152.01115	1.9
152.04790	5.0
152.08432	24.2
153.09210	11.3
159.11816	3.0
161.09744	3.6
163.03990	2.4
163.07626	5.9
165.05597	1.9
166.44479	1.3
167.07146	2.2
185.09772	1.7
201.12840	21.7
202.13135	2.3
203.10814	8.3
204.11526	25.1
205.11928	2.8
209.11852	1.6
219.13890	48.2
220.14189	4.3
229.40851	1.3
245.11772	1.9
263.12854	100.0
264.13153	11.3
274.48273	1.4
378.11832	2.6
395.13385	28.6
396.13004	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61129	0.9
54.44432	1.1
59.01056	0.8
59.01375	3.9
61.98839	1.5
69.76747	5.8
75.00868	7.3
78.95902	35.4
95.05020	2.3
96.96007	3.3
96.96956	3.1
97.82088	0.9
97.93121	1.0
98.20599	1.9
98.90683	2.0
110.98532	55.6
114.93401	1.2
118.42484	0.9
152.99600	7.3
167.01167	2.0
185.02197	100.0
186.02504	2.9
188.58189	1.0
195.13887	3.4
225.18597	28.6
226.18867	2.2
269.11447	0.9
277.21722	2.2
295.22757	21.8
296.23087	1.7
315.37430	1.2
336.64078	0.9
348.32925	1.1
354.09982	1.5
393.19366	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	393.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	1.6
59.01379	24.9
61.98817	4.9
71.62180	2.2
83.05075	2.2
96.96004	4.9
97.02961	2.1
99.08109	2.5
99.92612	3.4
113.09727	2.7
119.44873	1.9
129.09215	2.3
139.11304	11.4
147.11859	3.3
165.12901	4.3
171.10260	10.2
181.12244	3.7
193.08444	9.8
193.12271	3.1
197.11838	5.3
199.13354	2.6
211.13339	12.8
215.10501	7.0
215.94774	1.9
233.11575	50.8
234.11862	4.4
264.35910	1.7
293.12491	3.9
293.21185	14.6
294.21289	2.0
311.22269	100.0
312.22583	14.3
333.20502	3.7
393.22562	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	394.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07611	0.5
51.31546	0.5
55.66025	0.6
57.03445	2.6
58.00586	1.2
59.01383	31.0
60.01699	0.7
61.98826	1.8
70.24982	0.5
71.01387	36.7
71.61777	0.9
72.00900	0.7
72.99315	2.0
73.02952	1.7
75.00871	0.7
83.01390	1.6
84.13428	0.6
85.02957	4.7
85.06593	11.4
87.00887	2.2
88.04063	5.0
89.02450	13.0
94.03048	0.9
95.01391	1.3
95.05699	0.6
99.00904	1.1
99.04545	1.6
99.92585	1.6
101.02444	13.2
103.00381	0.6
112.98802	0.6
113.02451	6.0
113.06096	2.0
115.92081	1.2
116.03510	1.0
116.92857	5.3
117.03474	0.9
119.03518	4.9
119.05028	0.9
125.02456	1.0
130.08769	1.2
133.06593	1.1
135.04504	1.1
142.08713	2.8
143.03458	0.8
145.02925	1.4
149.00905	1.0
149.02443	0.6
149.06139	0.8
159.03117	0.6
159.04480	0.7
160.09798	46.0
161.04555	3.1
161.05888	1.0
161.10114	2.3
165.05573	1.1
166.05936	0.7
171.99377	0.7
186.93408	1.4
196.79967	0.6
201.05643	0.6
214.10880	1.1
215.07205	0.6
225.51479	0.6
246.07710	1.1
247.08394	1.5
248.09134	0.6
262.10895	1.0
277.12878	0.9
304.13934	1.0
322.15033	5.9
335.09863	0.8
376.16061	2.1
394.17172	100.0
395.17667	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	394.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81800	0.5
59.01368	0.5
61.98832	100.0
73.79373	0.5
96.96064	1.2
100.33431	0.5
309.20761	0.6
390.52158	0.5
394.18561	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	394.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.0
61.98832	100.0
69.87411	2.2
70.08549	0.3
78.95906	23.7
96.96017	1.1
96.96964	0.7
127.34615	0.5
168.88562	0.4
183.46381	0.5
188.24329	0.5
214.47581	0.4
219.76643	0.4
296.09979	0.4
312.22498	0.4
385.73483	0.4
394.18411	2.4
394.23770	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	394.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98830	100.0
69.80976	1.2
69.81406	0.7
127.05588	0.3
130.82419	0.3
148.54266	0.3
197.11780	0.4
296.09924	0.6
394.18436	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	395.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02800	1.0
59.01381	23.8
60.38905	1.0
61.98827	1.7
63.85826	0.9
69.46938	4.3
69.47350	3.5
71.01385	2.5
72.99320	2.0
73.02941	1.4
84.99323	3.2
85.02961	1.2
87.00874	14.3
93.03439	1.2
96.95988	1.3
97.16177	1.1
98.19889	1.7
101.06079	6.1
103.00385	12.6
107.05029	3.5
109.02947	4.1
112.98817	24.9
113.02453	1.1
115.07682	1.4
119.05016	3.2
120.05431	1.2
121.02955	2.1
124.01772	1.2
127.00397	3.4
130.99875	10.3
133.02939	5.8
134.03760	9.8
134.06987	1.2
135.04532	100.0
136.04839	6.4
137.02438	3.8
139.00375	4.7
143.07085	1.3
145.02968	2.0
147.04517	1.1
149.00934	2.5
159.04613	1.1
161.02467	16.2
162.02814	1.7
163.03998	11.7
177.05476	2.2
179.03506	90.4
180.03815	6.3
191.03442	5.9
205.05086	1.6
214.48105	0.9
219.02986	20.1
231.02933	5.0
233.06659	13.9
263.12936	1.1
291.30566	1.2
293.03036	12.2
302.91443	1.1
315.16943	0.9
395.20691	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.6
71.61781	2.0
78.95902	37.3
96.95995	6.0
103.30693	1.6
106.43167	1.5
110.98524	46.1
152.99591	8.2
167.01164	2.1
185.02194	100.0
186.02551	2.3
225.18590	29.2
226.18962	3.4
259.49670	1.8
275.02908	1.6
284.40567	1.5
323.77585	2.1
393.22751	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	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.5
57.03441	3.1
58.00591	1.7
59.01380	59.7
61.98825	1.3
69.03445	1.5
69.31837	8.4
71.01384	52.0
72.99306	3.7
73.02943	25.3
75.00874	1.9
81.03435	0.8
82.35009	0.7
83.01382	9.1
85.02949	24.3
86.04201	0.7
87.00880	9.1
88.98759	0.9
89.02441	12.0
95.01394	3.2
97.02929	2.1
99.00875	10.5
101.02444	48.4
101.03513	1.8
102.02791	1.2
103.00378	3.6
109.02941	7.1
112.98779	2.3
113.02451	18.0
115.04041	1.0
116.07155	2.6
117.03462	2.4
119.03513	1.4
119.05005	1.3
121.02954	1.1
125.02434	3.3
129.01898	1.3
130.99849	1.7
131.03523	2.8
135.04491	5.4
141.01901	1.1
143.03450	2.5
145.02954	16.9
149.00900	3.5
149.06032	0.9
150.03217	2.2
157.08693	1.4
159.02988	5.0
159.04266	1.0
161.02496	1.5
161.04561	18.9
161.05933	1.0
165.05537	1.7
170.11868	1.9
171.10248	2.2
179.03481	2.1
183.21750	0.8
189.11392	1.1
197.04547	1.1
217.08672	2.7
233.06705	1.4
261.07648	3.4
261.13412	71.1
262.10815	13.6
262.13742	5.3
262.16202	1.2
269.08258	1.1
284.92877	0.7
305.11758	1.0
317.07782	1.4
333.15463	2.7
351.16724	1.0
393.12793	3.5
393.17627	100.0
394.12500	1.5
394.17886	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	392.2443
Annotation	Macrocentrine
Peak:m/z	Relative Intensity
51.10652	8.5
57.03445	22.9
59.01369	31.5
59.86715	8.5
61.04808	8.6
61.98825	15.6
63.58799	8.3
71.05017	16.2
75.00860	9.9
75.60864	9.6
77.73341	10.2
78.58422	10.3
79.87191	8.0
81.03433	10.5
83.05048	12.6
95.05002	23.4
96.04546	43.7
98.19827	18.4
99.92592	25.0
106.04255	16.3
107.05022	20.8
109.06635	22.7
112.07674	59.9
115.92070	12.0
116.92863	42.4
119.48641	8.3
147.14413	9.3
165.09181	9.9
177.12897	54.3
189.12845	14.6
193.33881	9.2
203.10741	40.9
221.11792	31.3
229.12144	12.1
232.11653	10.0
237.14969	100.0
238.15306	16.1
247.13306	12.2
272.20374	11.1
275.20038	10.8
287.16525	30.1
289.17960	12.9
294.21707	12.7
305.17630	28.0
316.19159	25.9
365.20093	9.9
402.01154	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	393.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
70.21446	5.1
70.21815	11.0
71.01385	14.9
72.99340	4.4
73.02945	9.0
85.02967	5.0
87.00874	13.3
89.02448	6.0
89.57904	2.5
95.01408	3.9
101.02447	12.6
103.00375	7.7
112.98765	4.1
113.02484	6.4
135.04533	14.0
136.80103	2.7
145.02965	26.1
147.04587	2.8
149.00874	7.8
157.08722	3.8
159.04596	3.6
161.04575	3.4
179.03511	4.9
180.03807	2.9
187.07596	4.1
201.11272	3.2
217.08601	4.0
231.16003	6.8
261.07672	6.8
261.13449	7.1
262.10669	15.8
393.13290	34.7
393.17087	3.9
393.21585	22.1
393.28714	3.7
394.12949	3.9
394.17508	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	391.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92636	0.6
58.02976	33.5
59.01365	2.7
61.98828	4.5
70.02978	34.2
71.01382	0.8
71.02502	4.3
71.60951	1.1
72.00896	1.0
87.05650	4.6
92.09018	0.7
95.02517	2.6
96.00916	39.4
96.99325	1.1
97.01224	1.1
99.92568	2.8
111.02021	1.2
113.03579	25.1
114.01969	55.9
115.02313	1.9
116.92860	3.2
131.04625	32.1
261.40411	0.8
276.23376	3.6
285.46445	0.7
302.24829	3.3
329.25906	1.1
347.27014	3.3
373.20059	1.5
373.24954	69.4
374.25247	12.2
391.25983	100.0
392.26358	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	392.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45837	0.3
56.02147	0.3
59.01366	0.8
61.98831	100.0
71.61143	0.5
75.00311	0.3
87.41437	0.4
87.56545	0.4
93.03532	0.4
96.96019	0.6
127.46217	0.4
132.27232	0.4
179.39722	0.3
195.58499	0.4
209.11879	0.5
279.15491	0.4
392.16977	2.2
393.17346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.9
61.98830	100.0
63.16313	2.2
69.30022	8.4
69.30440	11.5
96.96025	2.6
123.95711	2.3
155.44353	2.1
159.04482	1.9
162.26410	2.3
198.03139	2.2
208.29799	2.4
214.40105	2.1
248.29558	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	392.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62236	1.5
58.63143	1.4
59.01361	4.5
61.17682	1.5
61.98832	100.0
70.91759	4.2
79.97682	1.3
84.83263	1.4
87.00920	2.0
91.80984	1.5
91.92361	1.6
96.95995	3.5
112.98828	1.5
121.02937	5.9
153.46805	1.5
163.04021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	31.3
59.86336	1.9
69.29350	6.1
69.29765	13.4
69.61867	1.8
71.01387	3.1
81.09476	1.6
81.93989	1.7
96.96004	2.7
97.06561	1.9
98.20662	3.9
99.92610	4.1
103.27388	1.8
103.82478	2.5
111.08156	39.6
116.67410	2.5
116.92902	2.7
150.31964	2.0
151.11263	6.9
165.12862	5.3
169.12363	10.7
179.10844	3.1
197.11830	100.0
198.12213	5.4
199.13380	5.0
204.67839	2.0
211.13417	6.4
214.71092	2.2
215.10501	5.2
219.10022	79.5
219.17319	1.9
220.10367	7.2
233.11610	40.3
234.11966	3.9
251.11369	4.1
257.35788	2.8
263.20166	5.3
287.16269	2.3
288.57541	2.0
290.27563	2.1
291.19678	14.5
293.12354	3.4
305.04932	2.5
309.20731	80.3
310.21115	9.4
313.17719	2.6
323.06015	3.1
331.18863	25.5
332.19339	4.7
375.17770	4.2
391.20663	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	391.2336
Annotation	Sedumoside A3
Peak:m/z	Relative Intensity
55.01877	6.2
55.92413	0.5
57.03450	5.5
58.00594	4.8
59.01377	97.9
60.01715	1.9
61.98805	0.7
63.55971	0.3
64.69810	0.4
68.99823	0.5
69.03456	1.2
71.01381	100.0
71.61667	0.7
72.01729	2.2
72.99312	6.1
73.02946	22.9
75.00883	1.2
81.03461	0.6
83.01387	11.7
83.05043	0.4
84.02170	0.5
85.02950	41.2
86.00091	0.9
86.03305	0.8
87.00883	7.6
89.02442	58.3
90.02757	1.1
93.03423	0.4
95.01381	7.9
97.02946	1.5
97.75182	0.4
99.00878	9.5
99.04517	0.4
101.02440	84.3
102.02777	2.4
103.00381	0.6
108.66718	0.4
109.02966	0.5
111.00881	2.3
112.98797	0.5
113.02446	45.0
114.02787	1.0
119.03497	26.9
119.04934	1.0
120.03823	0.6
122.06166	0.4
124.52943	0.4
125.02428	1.8
125.09727	0.4
129.01944	1.8
131.03520	2.5
133.02927	0.6
134.03697	0.4
135.04517	4.6
136.07591	0.4
137.02489	0.5
138.02678	0.5
143.03510	6.6
145.02808	0.5
149.00867	0.9
149.04526	1.9
151.04027	1.0
159.02989	8.3
161.02374	1.4
161.04550	40.0
162.04916	1.4
163.03893	0.4
179.03564	2.1
179.05585	4.8
196.33948	0.4
199.96638	0.5
205.03459	0.7
229.18063	6.7
230.18333	1.0
391.23340	63.0
392.19061	0.6
392.23734	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	391.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54773	0.5
51.57757	0.4
55.01880	6.8
57.03448	6.7
57.77156	0.5
58.00593	4.7
59.01381	100.0
60.01710	0.9
60.99304	0.5
68.99844	0.7
69.03455	1.4
71.01385	99.8
72.01729	1.7
72.06772	0.5
72.99308	5.9
73.02534	1.2
73.02949	24.0
75.00890	2.3
75.79826	0.5
78.95959	0.6
81.03436	0.5
81.92208	0.4
83.01391	13.7
83.05054	1.0
84.02173	0.6
85.02956	38.9
86.00070	0.7
86.03304	0.5
87.00890	7.0
89.02450	58.6
89.30559	0.4
90.02785	0.7
95.01395	8.2
97.02941	2.0
97.39670	0.5
99.00885	8.7
99.04556	0.6
101.02447	87.4
102.02747	2.4
103.00408	0.8
111.00876	2.1
112.98799	1.1
113.02451	43.0
114.02806	1.7
119.03506	28.8
119.04930	1.3
120.03872	0.7
125.02448	1.9
129.01929	1.6
131.03508	2.8
133.02968	0.9
135.04517	4.6
135.98360	0.9
143.03493	6.4
147.79930	0.5
149.00919	1.2
149.04585	1.6
149.05962	0.5
151.04054	1.0
151.66043	0.5
159.01813	0.8
159.03001	8.9
161.04559	39.6
162.04903	1.2
163.03928	0.9
165.05621	0.5
167.03479	0.5
177.11121	0.5
179.03505	1.2
179.05598	5.8
193.05048	0.5
195.06590	0.6
205.03485	1.2
211.07695	0.6
220.03273	0.7
226.42961	0.5
229.18117	7.1
230.18385	1.0
331.24139	0.5
371.41272	0.5
391.23352	68.5
392.23642	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	391.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.6
67.45608	0.7
69.38354	6.6
71.01385	39.3
72.99301	1.3
77.03965	0.9
87.00868	2.4
93.03488	0.8
95.05034	2.0
97.06578	2.4
105.03481	7.3
112.98801	2.5
113.02477	0.8
114.99620	1.6
115.00369	14.7
117.03448	3.7
119.05023	2.0
121.02937	1.4
123.04532	1.2
133.02963	24.4
134.03757	43.9
135.04576	14.7
137.02467	4.2
139.04053	1.2
150.03238	1.1
161.02452	5.2
162.03233	11.9
163.03856	2.2
177.01923	12.6
178.02669	11.0
179.03375	3.2
180.03209	1.1
187.03970	1.0
187.07639	1.2
193.36111	0.9
211.07866	0.9
211.66499	0.9
212.13843	1.0
219.02997	1.8
223.13374	2.7
228.42390	0.9
231.10255	34.2
232.10574	2.9
235.21407	1.0
244.02553	0.9
258.85803	0.9
275.09247	100.0
276.09567	10.9
287.22366	0.9
293.02960	1.6
332.48373	0.9
347.12784	4.0
391.26849	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	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03120	2.0
57.03442	5.4
57.18522	3.0
59.01379	30.3
61.98822	4.0
69.03474	3.4
69.56480	3.3
69.56889	11.2
71.01389	2.4
71.05022	2.3
83.05024	4.4
87.04489	2.9
95.05020	4.1
96.02878	2.5
96.96027	4.5
97.02952	13.5
97.06551	2.7
99.92577	6.7
116.91455	2.7
137.09666	5.5
165.12823	5.4
171.10286	4.5
175.26964	2.3
177.12872	13.8
179.14343	2.6
183.57755	2.1
193.08493	5.1
195.13959	11.2
215.10599	2.5
221.15434	9.0
223.13356	6.1
245.11566	100.0
246.11888	10.1
273.14746	2.9
291.19647	36.9
292.20123	3.7
305.12366	5.4
309.20721	78.6
310.20868	10.9
331.18787	10.3
391.20758	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01693	2.5
63.64545	2.2
80.96520	4.1
92.60928	2.0
107.31485	2.0
120.03033	2.3
236.11604	2.1
278.42496	2.1
389.19196	4.1
389.69095	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61337	3.0
61.98518	5.4
61.98832	100.0
66.95097	3.0
70.66641	3.3
70.93981	8.8
82.39752	3.2
98.20482	3.1
102.00082	2.6
126.03695	4.4
133.02957	6.9
134.03714	5.0
145.94003	2.7
165.79518	3.1
178.02609	7.3
247.93253	3.1
341.90201	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12116	2.7
60.97366	2.7
61.98832	100.0
69.46812	7.9
69.47213	14.9
71.01381	4.1
81.55513	2.9
94.45527	3.6
133.02968	4.2
133.57167	2.6
134.03731	11.7
135.04160	3.1
162.03201	8.1
178.02563	3.2
179.03035	4.0
225.30936	2.7
275.09296	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.6
59.57074	1.1
61.98830	100.0
67.92861	1.0
69.92892	3.1
69.93288	1.8
71.01366	1.0
72.99291	1.2
80.80009	1.1
81.46337	1.2
87.00876	2.2
96.95997	2.2
119.05022	1.4
121.02940	2.1
124.24992	1.1
133.02950	5.0
134.03825	6.0
135.04118	3.2
137.02426	3.4
138.02798	1.5
150.03169	1.0
151.62817	1.2
163.04016	1.4
177.01971	2.5
178.02666	8.7
179.03145	7.2
188.04369	2.2
193.30469	1.2
194.05904	1.0
209.41121	1.1
211.13336	1.6
238.84320	1.1
310.15115	1.8
328.16357	4.8
346.17221	3.1
369.13754	1.2
391.13672	1.3
391.18057	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98520	1.5
104.85133	1.5
113.20293	1.8
119.26780	1.4
119.43080	1.4
134.49312	1.8
142.49117	1.6
186.59039	1.7
229.14146	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	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
61.83492	0.7
61.98831	100.0
71.01389	0.8
71.61237	1.0
79.95741	0.6
87.00874	1.2
96.96030	2.7
122.21386	0.6
130.91341	0.7
135.04509	0.8
161.02460	0.7
162.06839	0.7
178.02663	1.1
179.03468	0.8
188.66249	0.6
286.50220	0.7
390.16687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75435	7.8
57.63272	7.3
59.01368	13.4
65.11530	7.1
69.88990	44.8
71.01379	16.2
73.23515	7.3
75.56072	7.8
87.00900	9.7
89.02444	12.4
101.02468	9.6
116.77650	7.7
161.04591	8.5
193.07201	32.7
355.12448	100.0
391.10040	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75435	7.8
57.63272	7.3
59.01368	13.4
65.11530	7.1
69.88990	44.8
71.01379	16.2
73.23515	7.3
75.56072	7.8
87.00900	9.7
89.02444	12.4
101.02468	9.6
116.77650	7.7
161.04591	8.5
193.07201	32.7
355.12448	100.0
391.10040	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16879	2.9
57.02761	2.8
57.03435	3.8
59.01382	52.9
61.98839	2.9
62.18795	3.0
69.03460	3.9
70.63215	8.6
78.12600	2.6
78.43286	2.3
81.03459	8.2
83.01408	11.3
83.05032	4.1
95.05045	5.9
97.02966	5.0
97.06590	8.2
106.04253	3.0
109.06580	3.3
110.58300	2.6
111.99808	3.2
123.04508	15.1
123.08144	5.5
125.09718	16.4
137.09744	9.6
141.12912	4.3
149.05991	4.2
161.09804	3.4
163.11285	18.6
165.12842	5.6
175.07433	4.4
179.10817	3.5
185.11813	11.4
191.10771	7.3
191.14410	20.5
207.10234	13.2
209.11818	91.8
210.12183	7.1
218.90651	2.7
225.11348	9.5
231.10002	61.7
232.10378	3.5
233.11717	6.0
245.19061	41.9
245.46375	2.9
263.20090	3.7
289.18094	100.0
290.18515	14.6
307.19162	62.1
307.22504	5.5
308.19476	7.3
317.17322	6.4
329.17419	14.4
342.50909	2.8
374.57690	3.0
377.24161	3.9
389.19400	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53933	21.2
59.01377	46.3
60.26959	19.9
61.98823	46.8
69.45200	100.0
69.45633	73.7
80.96519	52.8
115.02750	19.8
118.54259	20.4
152.99593	20.7
177.56619	20.9
205.63243	20.3
207.56859	22.4
255.23259	41.4
390.19955	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41086	4.8
59.01384	100.0
63.19859	5.0
63.89307	5.2
69.55727	40.2
86.18087	5.2
86.45949	5.3
100.10639	5.7
144.75401	5.3
303.58578	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	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
52.48185	0.6
57.03441	2.9
58.00587	1.3
58.90250	0.5
59.01380	27.0
59.14936	0.6
60.84601	0.5
61.98827	0.7
62.11441	0.5
69.03436	0.9
71.01382	18.7
71.05012	0.6
71.61732	0.5
71.62132	0.5
72.01743	0.6
72.99316	3.2
73.02939	2.9
81.30711	0.5
83.01382	1.3
83.05029	0.7
85.02957	5.4
85.06585	0.6
87.00887	2.5
87.04523	0.9
89.02441	15.1
95.01367	1.3
97.02954	0.6
97.06580	1.6
99.00900	0.7
101.02440	10.8
103.00362	0.6
104.68026	0.5
111.08150	1.9
113.02450	9.5
119.03502	5.8
119.04982	0.9
123.08172	0.7
125.09742	0.7
131.03542	1.0
135.04485	1.9
136.01706	0.8
137.02362	0.6
139.07707	0.7
141.09181	0.6
143.03487	1.8
143.10835	0.8
144.86267	0.5
145.02930	0.7
149.00911	1.3
151.04027	0.7
151.11292	0.5
159.04517	0.9
161.04561	3.3
163.04031	0.5
165.12839	25.7
166.13150	1.9
167.10732	0.7
167.14398	0.6
171.10277	0.7
172.05331	0.6
175.03909	0.7
178.50838	0.5
179.03432	1.1
179.05640	1.9
179.14331	0.7
182.81818	0.5
183.13898	74.7
184.14201	6.1
185.11891	0.6
187.04027	2.1
187.07715	0.7
197.15454	1.7
207.13918	2.0
209.11870	3.2
213.09166	1.0
215.12900	5.4
225.15039	1.2
227.12889	100.0
227.16573	2.5
228.13216	9.4
229.08606	0.7
231.10269	1.0
243.15981	0.8
251.12921	4.1
252.13205	1.0
257.08197	3.5
257.17603	0.8
269.13959	1.6
283.13434	1.0
287.18655	0.6
293.13995	1.1
327.15854	1.3
345.17050	2.2
359.59943	0.6
371.24615	1.6
389.17725	1.9
389.21878	1.4
389.25497	19.2
390.25839	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1455
Annotation	Loganoside
Peak:m/z	Relative Intensity
55.01870	4.8
57.03441	4.3
58.00600	3.1
58.99595	6.0
59.01091	4.2
59.01380	75.9
61.98826	14.0
66.03474	3.0
69.03480	2.1
71.01380	62.9
72.99313	6.3
73.02938	16.6
74.02460	3.5
75.00871	14.7
83.01392	8.7
84.36317	2.3
85.02958	26.0
87.00858	12.7
89.02444	35.6
94.02987	3.3
95.01372	7.1
99.00868	6.9
101.02448	50.5
102.45095	2.2
108.02141	2.4
109.02953	3.6
110.02465	5.2
113.02438	26.2
116.05072	3.6
117.03580	1.9
117.48561	2.2
119.03500	13.2
121.02949	6.8
122.03710	3.7
122.06087	11.4
123.00849	2.7
131.03513	5.0
132.04565	3.0
134.03751	26.0
135.04466	3.7
137.02449	61.3
138.02864	2.8
140.05411	3.3
143.03485	3.1
144.04482	3.2
149.00945	4.1
149.02440	13.8
149.06062	8.4
149.17758	2.1
150.03230	31.9
151.03970	5.0
152.04803	20.3
153.05629	4.9
159.03009	2.8
161.04514	12.0
162.05627	6.3
163.03922	3.2
165.05563	37.9
166.03323	13.9
167.07114	7.3
177.01956	2.5
178.02708	11.1
179.03519	9.8
179.05577	5.4
181.05063	2.5
184.03783	5.8
189.76089	1.9
193.05054	35.1
194.05676	6.1
195.06645	13.6
197.04529	4.2
205.15356	2.6
209.08289	10.1
212.06912	35.0
221.06642	3.0
227.09256	100.0
228.09590	6.8
237.06133	12.6
253.24083	2.1
282.08972	3.7
285.12335	11.2
341.10269	11.0
389.14490	77.1
390.08868	3.7
390.14621	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	389.1639
Annotation	H-TRP-TRP-OH
Peak:m/z	Relative Intensity
56.56155	0.7
57.42456	0.6
59.01374	1.8
61.98826	2.3
69.63628	4.6
71.01380	0.6
77.42947	0.6
79.95738	61.7
80.96507	5.4
90.03660	0.6
92.45135	0.6
95.95239	8.0
96.96014	100.0
97.02956	3.7
97.06553	1.4
111.08158	1.4
112.98829	1.0
113.09529	0.6
121.06625	0.9
125.09795	0.7
128.23756	0.7
130.25012	0.7
133.02971	3.5
134.03735	2.4
135.04459	1.1
135.87148	0.7
137.02417	1.3
147.29677	0.7
161.02428	1.0
170.84380	0.6
171.10249	0.8
176.98611	1.8
177.01970	1.7
178.02655	3.3
179.03349	0.9
183.13878	0.9
190.03078	2.3
191.03821	7.2
197.11859	3.0
200.04703	0.8
207.10007	1.5
207.45294	0.7
211.13365	7.6
257.11533	1.2
275.22369	0.6
291.09195	1.9
291.19778	1.6
309.20667	2.8
329.16943	1.5
345.17331	0.8
389.16379	68.1
390.16708	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.04012	0.2
57.03448	0.8
57.58500	0.3
58.00593	0.3
59.01378	6.1
69.03477	0.4
69.58613	0.7
69.59036	1.1
71.01389	3.6
72.99306	0.4
73.02951	0.5
81.47215	0.3
83.05057	0.3
85.02938	1.3
89.02454	2.7
95.01391	0.6
97.06590	0.7
98.19863	0.5
101.02446	1.8
111.08153	1.7
113.02442	3.6
119.03487	0.8
137.75781	0.3
161.04552	0.8
163.11241	0.3
165.12843	24.9
166.13181	1.9
167.14461	0.4
179.05586	0.3
183.13895	81.6
184.14236	6.3
197.15479	1.9
198.15935	0.3
207.13914	1.9
209.11842	3.5
210.12105	0.3
225.14989	1.4
227.12881	100.0
228.13231	8.6
251.12796	3.0
252.13275	0.5
269.13989	1.7
281.13864	0.3
293.13885	0.5
302.17117	0.3
329.16055	0.5
389.18243	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25763	1.1
58.97473	1.0
59.01370	1.5
61.98831	11.8
71.16909	1.4
79.95740	83.3
80.96523	6.1
82.09129	1.2
82.37867	1.3
95.95205	1.2
96.96017	100.0
99.73124	1.0
111.08171	2.4
133.02966	1.6
134.03740	2.4
137.02399	2.6
177.02116	2.0
178.02750	3.7
184.77016	1.1
190.03047	2.4
190.62178	1.1
191.03835	11.1
197.11783	5.3
211.13397	8.1
223.14120	1.1
227.12715	1.5
244.07146	1.2
274.17731	1.1
276.95026	1.3
288.07593	1.1
291.09094	2.3
291.19586	2.2
296.87799	1.0
309.20636	3.6
327.16196	1.2
389.16388	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	5.5
59.01381	100.0
61.98835	19.5
69.59960	16.1
71.01388	35.4
72.99298	7.4
73.02950	7.1
75.00873	3.1
78.86438	2.9
79.04646	2.5
83.01378	3.7
85.02959	7.4
87.00902	6.8
88.04049	2.7
89.02447	28.4
90.14458	2.5
95.01406	4.7
97.02962	2.8
98.19862	3.2
99.00887	3.6
101.02444	23.4
103.00339	3.3
108.02171	2.9
109.02995	4.9
111.00882	8.0
113.02436	10.4
115.00363	3.2
117.49237	2.8
119.03503	8.2
119.04999	4.6
120.99707	2.5
122.03698	3.6
122.06088	9.8
123.04516	19.7
125.02397	6.8
128.03529	6.1
129.01878	2.9
133.02898	2.6
134.03752	16.3
135.04491	6.2
137.02428	8.1
143.03452	5.4
144.04530	6.1
149.00937	3.0
149.02446	10.5
149.06070	4.6
150.03226	28.2
151.03917	3.6
152.01135	9.5
161.02428	4.1
161.04503	6.5
163.04050	6.5
164.01242	2.6
165.01945	4.2
165.05571	28.3
165.09245	2.9
166.04985	6.5
167.02127	3.9
167.03502	64.4
168.03914	4.2
170.43541	2.4
178.02684	10.6
179.03436	6.2
181.05127	4.5
185.04674	2.4
188.03471	2.8
193.05025	20.2
194.02264	3.8
194.05746	3.5
195.06595	12.0
209.04510	6.8
209.08167	12.2
210.46843	3.1
227.09299	9.3
236.91319	2.7
257.10168	7.8
267.11511	3.0
285.12430	6.5
313.11981	3.5
341.10175	8.8
389.14423	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	389.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96647	1.0
54.25352	1.0
55.01873	1.4
55.79350	0.8
57.03445	2.2
58.00583	2.8
59.01382	100.0
60.01717	1.4
66.78688	1.0
67.01891	0.9
68.99814	2.0
69.77209	0.9
71.01383	41.8
71.07204	2.1
72.01717	1.1
72.99305	3.8
73.02934	6.5
75.75135	1.0
78.95908	5.0
80.05074	1.1
81.03444	1.4
83.01378	4.3
83.05013	1.2
85.02957	14.7
87.00867	3.7
87.42569	1.0
89.02445	31.3
90.02762	1.2
93.03458	4.7
95.01373	4.8
95.05021	6.7
99.00867	2.0
101.02448	27.3
102.02791	1.1
107.03745	3.9
108.04580	1.1
109.04082	1.3
109.46879	0.9
110.02507	1.1
110.06089	2.0
111.00876	1.0
113.02448	19.2
114.02747	1.1
116.05060	12.7
118.06606	4.3
119.03506	11.0
119.04987	4.4
121.02941	6.7
122.03769	10.7
122.06123	80.4
123.04523	1.6
123.06451	4.1
124.01640	1.4
131.03481	2.1
132.04518	1.1
133.02960	4.1
134.03752	54.4
134.04692	3.9
135.04451	3.6
136.01620	1.4
136.03979	1.0
137.02437	7.2
138.05583	1.1
139.03973	2.9
143.03445	2.6
144.04558	36.2
145.04877	1.9
146.06096	2.2
149.00903	1.3
149.01152	1.6
149.02440	17.7
149.04874	1.6
149.06062	12.0
150.03230	82.3
151.03819	5.6
152.07230	1.4
159.02954	1.2
161.04564	8.3
162.05606	42.4
163.03984	3.0
163.06377	5.4
164.04764	3.5
165.05568	80.5
166.05914	3.5
169.04401	1.3
177.04347	1.5
178.02708	27.2
179.03340	2.6
179.05588	2.5
180.04254	4.3
181.04959	1.8
182.92981	1.1
188.03532	8.9
191.07135	1.0
193.05055	80.6
194.05374	3.8
195.06688	32.7
195.09283	1.3
196.06949	3.6
209.11772	8.1
215.11882	1.9
227.12944	1.8
227.16530	3.6
231.10164	1.1
237.55939	1.0
239.11897	3.2
251.11722	1.4
251.46471	1.1
257.08234	3.2
267.11401	16.5
268.11673	2.1
280.08475	1.6
282.09012	1.5
283.14536	2.4
285.12439	84.3
286.12784	8.7
295.10889	5.3
301.61438	1.0
313.08487	1.9
313.11789	6.4
314.12021	1.2
327.13205	3.0
328.13525	1.1
329.11380	4.4
339.09872	1.5
341.10236	7.7
357.10718	4.8
389.13647	4.2
389.18152	76.8
390.18616	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17571	3.3
59.01380	100.0
60.01730	3.6
60.70140	3.4
61.98816	8.3
69.31364	36.5
98.19776	6.0
162.67366	4.6
162.78065	3.7
216.99310	3.5
253.21725	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	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.9
61.98832	100.0
69.82560	5.6
71.01380	3.5
73.02972	1.1
85.02930	1.7
86.43858	0.9
87.00883	2.8
89.02447	2.0
93.03429	1.3
95.05045	1.4
98.20649	1.1
99.00887	0.9
100.24009	1.0
101.02438	2.1
113.02435	2.8
114.69410	1.0
119.03481	1.0
121.02935	1.7
122.03761	1.9
122.06120	5.4
122.10801	1.0
131.98309	1.1
134.03749	7.1
135.04530	1.2
137.02499	1.3
138.03188	1.7
139.03535	1.2
144.04527	2.1
149.02449	3.5
149.06053	2.1
150.03210	9.5
151.04002	1.2
154.00929	2.5
162.05647	2.2
162.70680	1.3
163.03976	1.5
165.05545	9.8
168.04230	1.5
169.04643	2.3
178.02739	4.0
183.06664	2.9
184.07014	3.3
193.05066	9.9
195.06737	5.4
221.05981	0.9
282.08725	1.1
285.12369	4.8
301.14590	1.6
341.10178	3.1
344.15030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13611	0.4
59.01378	11.2
60.01712	0.8
61.98830	100.0
69.52616	2.5
69.53024	0.9
71.01376	3.1
72.01727	0.5
73.02953	0.4
85.02944	0.9
87.00871	1.0
89.02457	4.1
98.19933	0.8
99.00883	0.5
101.02444	1.6
103.00357	0.5
113.02457	1.1
119.03498	1.2
121.03014	0.5
122.06151	1.0
134.03737	2.3
143.03546	0.4
144.04637	0.4
149.00974	0.5
149.02414	1.0
149.06099	0.6
150.03212	3.2
154.00954	1.4
161.04617	0.5
163.11366	0.6
164.11638	0.9
165.05579	2.8
167.08131	0.4
169.03314	0.6
172.85606	0.4
178.02757	0.9
180.04248	0.5
186.00076	0.4
193.05089	3.4
195.06715	1.2
239.03786	0.5
254.07986	0.7
277.27902	0.4
285.12473	0.5
301.03995	0.9
341.10135	0.6
345.51086	0.4
388.07059	1.2
388.16797	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	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32718	0.5
57.55396	0.4
58.00626	0.4
59.01382	9.4
60.01729	0.8
61.98833	100.0
69.51562	2.8
71.01389	3.1
73.02970	0.6
75.47216	0.4
85.02959	1.1
87.00873	0.8
89.02470	2.8
90.02795	0.6
101.02467	1.4
113.02506	1.2
119.03506	1.2
122.06104	0.8
133.13643	0.4
134.03748	2.0
149.02377	0.6
150.03261	2.3
154.01021	0.8
164.11687	0.6
165.05537	2.4
178.02762	0.6
193.05046	3.0
195.06688	1.1
195.28650	0.5
254.07872	0.8
285.12552	1.3
323.62469	0.5
341.10696	0.5
366.30527	0.5
370.99448	0.5
388.07089	0.7
388.17130	2.8
389.18015	0.5
394.93729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	42.5
61.98824	100.0
63.86253	21.6
80.96505	31.0
111.92918	35.4
192.15033	19.7
271.18692	22.1
286.82813	22.1
323.82693	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.4
61.98830	100.0
66.28728	0.8
70.92687	2.0
78.95890	1.2
102.64907	1.1
133.02950	4.8
134.03731	5.2
137.02467	1.2
150.03134	1.2
177.01970	1.6
178.02702	4.5
201.05392	1.2
203.06949	1.1
211.13361	1.2
247.09691	1.3
316.65063	1.1
327.15930	1.7
345.17236	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55961	1.4
58.56418	1.4
59.01367	9.5
61.98832	100.0
68.28544	1.3
69.66913	1.5
71.01392	1.7
79.95718	1.7
80.06237	1.4
96.96024	4.2
97.62836	1.5
109.02979	2.2
121.02996	1.6
128.85754	1.4
133.02963	16.8
134.03740	15.6
135.04515	2.5
137.02480	7.7
139.04033	2.1
150.03246	2.3
161.02429	2.1
177.01945	6.8
178.02734	19.0
179.03505	2.1
187.03828	1.6
187.07600	1.9
211.13437	4.2
211.71767	1.7
226.44882	1.6
309.14914	2.9
327.16116	8.8
345.17017	4.4
371.15198	2.2
389.16440	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19735	1.2
55.17772	1.3
59.01378	2.5
61.98829	13.6
62.65363	1.1
62.81151	1.1
67.32461	1.4
68.10705	1.1
73.98326	1.2
79.95740	78.2
80.96528	5.7
96.96014	100.0
106.42150	1.2
111.08167	2.9
133.02980	2.9
134.03731	3.6
137.02386	1.6
139.04018	1.3
178.02644	6.1
179.03487	1.4
190.03036	1.8
191.03865	13.0
197.11838	3.6
210.21811	1.2
211.13445	7.0
257.80325	1.2
291.09192	1.6
291.19690	1.7
309.20865	2.9
328.38434	1.3
329.77621	1.3
389.16370	75.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2024
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.01881	2.8
57.03451	4.2
58.00591	2.7
59.01380	70.9
60.01722	0.7
69.03457	0.6
71.01382	48.6
72.01729	0.5
72.99304	3.1
73.02944	8.7
75.00875	0.4
80.24947	0.4
83.01393	5.7
85.02952	17.6
87.00885	2.8
89.02445	40.8
90.02758	0.8
95.01391	4.5
98.19836	0.9
99.00889	2.8
101.02444	37.1
102.02785	1.3
111.00900	0.8
113.02448	20.6
114.36739	0.4
119.03504	17.9
120.03828	0.8
131.03506	1.6
135.04501	0.5
137.09729	1.8
143.03477	2.3
149.04526	1.3
151.07684	0.8
152.08426	1.3
153.12878	1.0
159.03015	1.7
161.04559	6.9
163.11284	0.5
179.05583	2.7
181.08630	1.0
181.12375	0.7
182.09070	0.7
189.12807	0.8
195.13972	1.3
197.15587	2.0
207.13881	3.0
225.14958	18.3
226.15247	1.3
232.04904	0.5
296.35022	0.4
387.20239	100.0
388.20566	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	387.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99347	0.4
55.01884	0.8
57.03450	1.2
58.00615	0.6
59.01381	100.0
60.01722	1.4
61.24543	0.4
61.98830	1.4
69.03448	0.7
71.01384	22.6
71.62697	0.7
72.99322	2.6
73.02943	10.3
74.02469	0.5
75.00883	0.7
80.68061	0.5
83.01387	4.1
85.02960	6.2
87.00872	2.3
87.04530	1.5
89.02447	15.6
95.01394	1.6
99.00931	1.5
101.02444	20.6
101.06129	0.9
103.00385	0.8
112.98828	0.8
113.02459	9.6
119.03499	8.0
127.79619	0.4
131.03520	1.3
135.04558	1.2
136.01707	1.9
137.02475	0.8
143.03517	2.1
147.04590	0.5
149.04559	1.1
150.03293	0.5
151.00394	0.5
151.04012	2.9
161.02509	0.8
161.04538	4.7
165.05502	0.5
179.03529	1.1
179.05624	3.5
181.05128	1.3
196.87628	0.5
227.07254	0.6
267.09869	1.0
343.15884	0.5
345.19135	6.0
346.19699	1.2
372.12131	0.7
387.14645	2.6
387.23618	4.9
387.27832	1.6
388.15164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86716	62.2
56.96885	61.1
61.98813	100.0
70.72013	71.5
71.16113	64.8
167.77505	65.8
181.59666	69.8
205.36971	64.7
209.24948	65.3
229.05313	67.6
238.25763	68.6
242.65161	59.8
249.34209	65.0
306.52997	86.0
365.13376	69.4
391.41779	74.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55294	0.5
57.03450	8.8
59.01380	9.4
65.87725	0.5
69.03448	1.1
69.37283	4.8
71.01391	3.1
71.05013	2.0
72.99299	0.7
73.02939	1.1
85.02956	1.2
87.00867	2.4
89.02448	1.1
95.05024	2.4
97.06594	7.0
98.19837	1.3
99.08160	5.0
101.02436	1.5
103.00347	1.3
109.02944	1.3
111.08145	0.9
112.98752	0.6
113.02457	0.9
113.09752	1.1
123.08166	4.9
125.09735	0.8
134.03700	1.6
135.04512	1.9
136.01648	1.1
137.02449	1.2
141.12833	1.1
150.03215	1.1
151.03983	1.7
161.02419	0.6
161.04665	0.9
179.03494	1.1
181.05208	0.6
181.12276	1.3
183.13910	8.1
199.17061	2.8
211.13367	1.5
225.11307	1.6
225.14955	0.9
243.16069	1.5
249.18645	1.7
253.09108	0.6
255.15988	1.1
265.21664	2.7
289.07117	0.8
325.14505	2.6
325.23776	3.6
326.24509	0.9
327.21988	0.6
343.15607	2.3
343.24857	47.5
344.25220	6.9
369.22748	4.1
387.14505	4.8
387.23865	100.0
388.19342	0.7
388.24219	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	387.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.9
59.01379	13.3
69.03429	1.3
71.01379	3.1
71.05021	1.6
73.02932	1.6
78.15584	0.7
83.05030	1.1
85.02951	0.9
87.00866	1.7
89.02451	2.2
93.39188	0.7
95.05028	1.8
97.02977	0.8
97.06596	7.1
98.20638	1.5
99.08155	4.2
101.02461	1.3
103.00352	0.8
109.02984	1.5
112.98816	0.9
113.02444	0.7
113.09705	1.0
113.88718	0.7
119.03478	0.9
119.05036	1.0
121.02991	1.3
123.08132	3.8
133.02966	0.7
134.03671	1.3
135.04482	1.9
136.01724	0.8
137.02496	1.2
140.46019	0.7
141.09172	0.9
141.12856	1.2
147.04597	0.7
148.58368	0.6
149.00833	1.1
150.03195	1.5
151.03993	2.2
161.04512	0.9
173.06062	0.6
177.05502	0.7
179.03564	0.6
181.05144	0.8
181.12326	1.2
183.13893	9.1
184.41394	0.7
185.03856	0.7
186.06827	1.1
199.16972	2.1
200.04753	0.9
211.13345	1.4
225.11235	1.2
225.14992	1.3
243.16045	0.9
249.18596	2.6
255.15944	1.3
265.21826	3.4
289.06995	0.8
325.14362	3.5
325.23691	4.2
326.15140	0.8
341.23145	0.9
343.15710	2.1
343.24869	44.5
344.25330	6.9
364.51880	0.7
369.22955	3.9
370.23102	1.0
387.14514	5.9
387.23853	100.0
388.19260	1.2
388.24194	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	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
56.85702	0.4
57.03448	3.9
58.00607	3.4
59.01381	100.0
60.01704	1.6
61.98847	1.4
69.74792	1.1
69.75199	2.0
71.01384	63.7
71.05020	0.6
72.01743	1.1
72.99312	4.2
73.02951	10.1
75.00857	0.5
81.03500	0.6
81.03990	0.4
83.01394	4.9
83.05016	3.0
85.02434	1.0
85.02950	19.4
86.03298	0.7
87.00870	3.0
89.02446	47.5
90.02755	0.7
93.03481	0.9
93.65835	0.5
95.01385	5.7
96.96027	1.3
98.20595	0.9
99.00867	4.2
101.02444	34.2
107.05034	1.1
113.02452	26.6
114.02791	1.3
119.03506	18.8
119.05006	1.7
120.01244	3.4
121.02960	4.4
121.06541	0.5
121.10283	0.6
122.44112	0.5
123.08167	18.4
124.08490	1.5
125.02458	1.5
129.01886	0.6
131.03528	1.8
134.03749	3.1
135.04536	1.3
137.09723	3.5
139.00383	0.7
143.03537	2.6
145.10286	0.7
149.02460	1.1
149.04539	1.0
149.06100	1.4
159.03050	2.4
161.04565	9.9
163.04021	1.7
163.11292	19.3
164.04788	0.9
164.11646	1.5
167.03540	0.5
167.10846	0.5
171.11830	0.6
173.09775	1.3
179.03601	0.6
179.05624	3.9
181.05119	0.7
182.08238	0.8
189.12854	20.1
190.13174	2.0
190.58780	0.6
193.05061	2.1
194.08255	1.4
202.38248	0.5
207.10298	9.8
207.13881	19.6
208.10646	0.6
208.14194	1.6
223.13344	2.4
225.14952	1.9
243.15984	1.0
255.02629	0.5
262.46173	0.5
268.95972	0.5
341.11319	0.5
343.12021	0.8
387.11566	3.2
387.16565	63.7
388.17014	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	387.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50579	1.3
55.01882	2.3
57.03455	5.0
58.00589	2.7
59.01379	100.0
61.98840	2.9
62.24785	1.4
63.16125	1.3
64.83303	1.3
69.27184	1.4
70.08057	1.4
71.01383	46.5
71.61944	2.0
72.00938	1.5
72.99305	2.4
73.02955	26.9
83.01388	9.1
85.02946	13.5
87.00879	12.7
89.02448	23.7
93.03463	2.1
95.01389	4.2
97.02966	1.8
97.06590	3.0
99.00903	5.6
101.02448	37.4
102.02802	1.8
103.00381	7.0
108.02108	2.1
109.02998	7.6
112.98814	2.8
113.02444	16.9
117.03471	2.0
119.03482	8.9
119.05013	10.7
120.05344	2.3
121.03002	2.9
121.10261	7.5
123.04534	2.0
123.08165	2.6
125.02453	2.1
129.05585	2.1
134.03729	6.6
135.04524	6.4
136.01663	1.9
137.02483	3.7
139.11269	6.6
143.03481	1.6
145.02960	2.7
149.00893	2.6
149.06094	2.9
151.04031	4.3
152.01097	1.9
153.05603	2.1
157.93459	1.8
159.03052	2.4
159.04504	4.5
160.05267	4.0
161.02441	1.9
161.04541	10.1
161.05891	2.3
162.03206	2.5
163.04018	3.7
165.09315	2.5
177.05556	11.4
178.06329	4.8
179.03494	4.9
179.05569	2.2
180.04112	2.1
183.10303	17.2
185.08188	2.4
187.03952	1.8
188.04817	3.0
191.07188	4.1
203.07068	5.0
206.05833	3.1
207.13889	2.9
211.13376	6.6
221.08232	18.3
222.08533	1.6
225.15051	1.9
235.06120	2.3
255.16032	3.5
259.89590	1.6
271.02396	1.8
300.02579	2.0
301.16690	1.7
302.03619	1.8
324.59586	1.5
327.15570	1.6
345.15854	3.5
369.13565	2.0
386.59241	2.0
387.16595	15.0
387.24078	24.9
387.28543	3.4
388.16437	2.7
388.24097	4.7
388.28619	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.65718	0.7
57.03456	1.7
59.01380	100.0
59.66484	0.7
60.01714	1.9
61.98830	24.6
71.01383	18.2
71.05022	0.8
71.30437	1.3
72.99322	1.8
73.02952	3.0
82.02988	1.0
83.01403	1.8
85.02955	7.9
87.00880	2.4
89.02446	10.8
95.01395	2.4
96.96038	1.6
99.00898	1.4
101.02438	8.4
106.04271	1.0
111.00996	0.8
113.02450	9.7
119.03484	4.0
119.05038	1.0
127.05199	0.8
130.08783	0.7
140.07176	0.7
149.00958	1.3
149.09726	2.3
153.09229	1.0
154.02243	0.7
159.03082	0.9
161.04565	6.8
163.03986	0.8
163.11290	19.2
164.11664	1.0
165.09203	14.6
166.09619	1.0
167.03493	1.5
167.08305	1.5
167.10760	3.0
179.05721	0.9
181.05164	0.7
190.69122	0.6
207.10188	1.1
210.08766	0.8
225.14899	0.8
243.15981	0.9
254.07759	4.0
262.95190	0.8
305.14291	0.7
369.15744	0.8
387.12628	1.8
387.16638	39.8
388.16830	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	387.1484
Annotation	Cetirizine
Peak:m/z	Relative Intensity
57.03445	1.3
59.01369	4.6
59.93357	0.8
61.98826	3.0
70.76911	2.2
71.01381	1.6
71.04998	4.2
79.95740	59.7
80.96519	51.2
81.03456	1.4
83.05006	1.0
95.05030	2.0
95.95206	0.9
96.96013	29.6
99.61082	1.0
103.67117	0.7
106.04253	0.8
109.02957	1.0
109.06589	7.2
111.04534	3.1
113.02473	1.0
119.49032	0.8
121.06635	1.1
122.20009	0.8
127.07645	2.7
137.06056	1.2
137.09752	0.8
143.10751	1.4
147.96704	0.8
149.09608	0.9
163.03914	0.9
167.10796	1.4
176.01103	2.2
191.14444	1.1
195.13928	2.5
235.13275	1.2
245.19067	4.8
246.19525	0.9
251.16458	0.9
267.19751	0.9
268.19751	0.9
269.20331	1.3
271.16986	0.9
287.16492	3.0
289.18079	56.9
290.18454	7.3
295.18219	1.4
304.72128	1.0
305.17505	1.3
307.19116	5.4
308.19263	0.9
387.14819	100.0
387.22845	2.5
388.15186	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	100.0
61.98823	49.9
62.10597	27.0
79.48804	27.0
80.96523	26.2
84.44080	28.3
98.19837	65.6
119.13315	26.3
137.03171	27.0
142.57564	24.6
149.57643	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	386.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79257	0.9
59.01379	5.1
61.34647	0.8
61.98833	100.0
66.81200	0.8
71.01389	3.9
71.60311	1.0
71.60662	1.0
72.99327	2.3
73.73611	1.0
85.02946	4.6
86.03324	1.6
87.00903	1.5
89.02457	2.2
101.02443	1.9
109.02964	1.0
110.02475	1.0
112.04062	1.0
113.02458	2.9
115.00462	0.9
119.05049	0.9
121.02964	1.0
128.03566	1.6
130.08751	1.6
135.04512	1.3
137.02490	1.4
137.43997	1.0
149.00902	2.0
161.08203	5.3
163.04008	2.1
183.06694	1.5
224.36273	0.9
259.80127	1.1
369.17831	1.7
386.11899	1.8
386.20801	1.3
387.13187	1.8
387.19241	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	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38784	6.3
57.35344	7.2
59.01372	22.1
61.98832	100.0
69.30343	70.9
71.01367	9.2
98.19823	12.3
103.83431	7.0
106.37873	8.0
112.98823	9.0
119.05064	8.2
135.04492	7.6
145.31833	7.2
146.04153	9.1
150.03204	8.7
161.63200	8.2
162.83902	18.6
163.04082	12.3
186.87227	7.5
219.09676	7.4
286.42212	6.9
386.16928	18.1
387.07303	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	386.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.0
61.98832	100.0
71.01397	4.7
71.61643	2.5
72.31683	2.3
75.00908	2.8
77.45966	2.6
87.00868	4.9
98.35347	2.2
103.00391	4.3
112.98824	5.7
113.99120	2.4
119.05040	3.1
121.03023	4.4
135.04526	9.3
161.02426	3.4
163.03998	5.3
171.10193	2.4
179.03510	5.9
219.03043	3.4
279.47556	2.5
386.13370	2.8
387.14325	10.2
387.19125	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	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.2
61.98523	5.7
61.98832	100.0
63.69980	3.0
66.01087	3.8
68.21645	3.6
69.77761	12.8
69.78167	8.4
117.91495	4.4
193.67073	4.2
232.98138	3.6
312.22726	4.9
329.34549	4.1
330.63272	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	387.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.6
59.01380	10.1
67.01863	0.4
69.03467	0.5
69.28272	3.5
69.28674	1.0
71.01393	2.5
72.99303	0.5
73.02946	1.7
81.03515	0.4
83.01402	0.9
84.02164	0.7
85.02956	1.3
87.00869	3.1
89.02444	1.4
92.23307	0.4
93.03429	1.3
95.01443	0.7
96.96070	0.5
97.02945	0.5
101.02441	1.6
103.00375	4.4
108.02143	2.1
109.02940	4.1
111.00900	0.6
113.02485	1.0
119.03522	0.6
121.02965	5.2
122.03740	1.5
123.00871	4.1
123.04522	1.3
123.08150	0.8
124.01662	1.0
125.02480	1.3
130.99878	1.6
133.02965	0.7
134.03709	1.0
135.04520	1.6
136.01659	77.8
137.02480	17.2
138.03032	0.5
138.88383	0.4
139.04004	0.6
147.04491	0.7
149.01155	0.5
149.02444	1.7
149.06036	1.1
151.00392	16.7
151.03999	100.0
152.01157	2.3
152.04358	5.0
153.01860	0.7
154.02681	1.0
159.04507	1.3
160.05305	1.8
161.02431	1.0
161.04564	0.6
162.03214	1.4
163.03975	2.4
164.04843	0.5
165.01968	0.6
166.02707	41.1
167.03281	3.8
168.11638	0.5
175.03978	1.9
175.07652	2.2
176.04677	0.7
177.01949	3.8
177.05513	1.6
178.02609	0.5
179.03493	1.6
181.05060	62.6
182.05402	3.4
184.03717	1.1
187.03926	1.0
188.04723	0.6
189.05583	1.3
190.06352	1.3
191.03502	1.0
192.04312	0.8
193.05013	1.0
195.02971	0.9
203.03503	0.8
205.05055	2.0
205.08659	1.3
207.06471	0.8
219.06537	0.5
220.03502	0.5
254.69846	0.6
255.15837	2.1
271.02618	1.0
271.05939	0.8
282.05154	0.5
299.09314	1.0
300.02802	1.0
311.09125	0.5
322.41098	0.5
326.11478	0.5
327.08835	0.7
329.10220	3.5
341.13977	1.5
343.25076	0.8
357.09760	19.2
358.10052	2.9
372.12088	14.0
373.12567	2.1
387.14481	42.4
387.23697	4.8
388.14655	6.0
388.23703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.5
58.00603	2.7
59.01096	3.3
59.01379	49.4
61.98826	2.0
69.50311	10.3
69.50710	5.1
71.01385	24.2
72.99315	2.5
73.02946	10.4
79.32764	2.1
83.04998	3.3
85.02932	8.3
87.00864	7.6
89.02451	12.3
99.00886	2.5
101.02449	13.6
103.00338	4.4
106.94952	2.3
108.02190	2.9
109.02930	9.5
109.71008	2.4
112.98814	2.8
113.02454	8.0
119.03513	5.7
119.04987	2.9
121.02898	2.5
121.06663	2.6
123.00898	4.8
130.99886	4.3
131.05003	2.5
133.03015	2.2
134.03728	13.9
135.04460	7.3
137.02440	5.1
138.03239	12.9
143.03546	2.1
146.03723	6.8
147.04471	5.0
147.32162	2.6
148.05258	8.5
149.00900	2.8
149.06046	9.5
151.04034	7.7
153.05591	21.9
158.03781	3.2
159.04521	18.8
159.61078	2.2
160.05304	23.7
161.02457	4.2
161.04570	5.0
161.06007	8.5
162.03192	5.0
163.03929	4.8
165.01868	6.6
174.03230	8.2
175.03944	3.6
175.07607	10.4
176.04697	3.6
177.05562	100.0
178.06325	26.2
179.03468	5.8
180.04150	5.7
187.04039	11.6
188.04755	17.7
191.07155	24.1
191.66402	2.0
192.04366	2.4
192.07831	7.9
195.06503	2.4
198.52956	2.4
201.05452	2.3
203.07140	76.4
204.07462	7.1
205.04927	2.2
206.05798	17.9
207.13893	2.4
210.05315	9.4
211.13345	4.5
219.06563	3.6
220.07280	5.2
221.08194	90.1
222.08479	8.1
224.06862	20.6
225.14885	3.2
255.15968	4.4
267.06827	2.3
268.07327	3.5
277.05106	2.8
281.08099	2.7
283.09756	2.7
295.06387	2.5
308.06903	2.9
311.09311	5.0
313.06738	2.7
321.07578	3.0
325.10651	3.4
327.08664	5.8
329.13782	3.1
339.08640	9.7
340.08688	2.4
341.14108	3.5
342.11163	2.4
343.11731	4.6
354.11084	5.7
357.13312	12.5
369.13452	27.4
370.13861	4.0
387.09949	18.5
387.14526	19.6
387.20099	5.9
387.24353	17.3
387.28604	3.7
388.10745	3.2
388.15277	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	385.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52374	0.5
55.01889	3.1
55.47998	0.5
57.03452	4.4
58.00600	2.8
59.01379	62.3
60.01718	0.8
69.03459	1.1
69.90649	2.1
71.01382	79.2
72.01728	1.7
72.99309	8.8
73.02949	13.5
75.00893	1.3
81.03435	0.6
83.01382	5.0
83.05029	1.7
84.02225	0.6
85.02953	25.7
86.03295	1.1
87.00872	6.2
87.04523	0.6
89.02447	37.5
90.02798	0.6
93.03475	1.1
95.01399	5.6
95.05044	2.1
97.02956	6.7
97.06564	1.2
98.19904	0.9
99.00887	6.6
101.02448	40.1
102.02798	1.1
103.00411	1.2
105.07086	0.7
107.05044	1.4
108.02206	0.7
108.05832	3.0
109.02962	1.4
109.06609	1.8
111.00908	0.8
111.04535	0.6
111.08170	1.3
112.98800	0.6
113.02454	30.9
113.06064	4.2
114.02808	0.7
119.03510	11.8
119.04979	1.1
121.02964	2.0
121.06628	0.5
122.03729	2.7
123.00861	0.6
123.08183	4.2
124.05280	0.7
125.02456	1.7
125.06099	2.3
129.01958	1.2
131.03523	1.5
134.03760	6.3
135.04555	4.7
135.08214	0.7
136.05315	4.1
137.02429	0.9
137.06067	1.8
138.06874	23.1
139.07683	10.6
143.03525	3.1
145.03041	1.2
147.08194	1.2
149.00963	2.7
149.02457	6.2
149.04486	1.0
149.06096	2.3
150.06854	0.6
151.00327	0.5
151.04161	0.7
151.07657	23.4
152.04881	3.0
152.08443	45.5
153.09222	100.0
154.09561	6.8
159.03011	3.7
159.04344	0.7
161.02448	1.5
161.04570	18.0
161.09714	1.4
162.04887	0.6
162.06795	0.8
163.04022	1.5
163.07648	1.9
163.11296	3.9
164.04794	4.6
165.05498	0.7
165.09209	2.4
165.68588	0.5
166.02765	1.4
167.03459	0.8
167.07188	1.9
173.06017	0.6
175.04086	0.6
175.07678	1.3
177.09247	0.7
178.06436	0.8
179.03526	1.5
179.05655	2.6
179.07178	1.9
179.10822	0.5
180.04086	0.6
180.07957	1.5
181.05109	1.9
181.08704	6.4
187.07697	0.6
187.11249	0.7
189.09286	1.2
190.02687	0.9
190.10062	2.0
191.10786	1.6
193.05078	1.0
201.09290	0.7
205.03519	0.7
205.05179	1.1
205.12334	34.0
206.12648	3.2
208.03799	1.3
209.02794	0.6
209.06607	0.7
219.10211	3.5
223.06096	11.9
223.13387	15.8
224.06549	0.7
224.13809	1.3
231.04160	1.2
231.54288	0.7
233.08238	0.9
253.07220	0.5
265.07361	0.6
271.02518	1.6
277.10876	3.0
299.02109	0.8
300.02725	3.4
301.03564	1.5
304.06918	11.9
304.57150	3.1
305.07126	0.5
325.09473	0.9
367.10339	2.8
385.11139	11.1
385.18561	8.7
386.11841	2.0
386.19052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62581	0.5
58.02993	0.7
59.01382	1.1
61.98829	100.0
62.41494	0.5
69.67445	0.4
69.97481	2.6
77.99163	0.5
80.14744	0.5
85.63777	0.5
106.15927	0.5
111.47138	0.6
130.08746	4.6
238.84276	0.5
322.20319	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2236
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01390	5.4
61.98844	2.9
63.74302	0.7
67.47878	0.6
71.01398	1.7
72.99334	0.7
89.02473	2.1
91.04032	2.9
98.19785	0.9
102.48191	0.8
112.98816	1.4
121.02980	1.6
122.03762	1.5
126.03269	0.9
135.04541	1.2
136.05296	0.9
155.09042	1.4
167.14433	3.4
168.04227	0.8
193.16029	1.4
199.08063	2.3
207.17505	1.3
223.20615	2.0
249.18608	7.3
267.19662	100.0
268.19943	11.3
275.16571	11.4
276.16901	1.5
293.17599	64.0
294.17926	8.6
294.40060	0.8
311.18671	13.8
312.19046	1.5
344.18442	0.8
367.21283	6.0
367.25351	1.0
385.22299	58.5
386.22672	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40497	1.7
54.66968	1.8
57.03452	4.0
57.81039	1.6
59.01373	12.7
61.98823	7.5
69.64102	12.0
71.01391	15.7
72.99319	15.5
73.02940	2.0
75.00883	2.6
82.12930	1.6
82.37569	1.5
82.53577	1.5
83.01381	3.4
83.05037	4.4
85.02944	3.0
86.50420	1.7
87.00877	7.4
87.67251	1.7
99.00880	14.5
103.00367	1.8
108.06546	1.7
109.26169	1.7
111.00875	4.1
112.98811	26.1
115.00402	5.8
117.01932	2.9
119.05088	3.4
124.98850	2.6
133.02956	2.4
135.04533	5.8
142.99863	34.6
156.00644	4.3
161.02412	3.1
163.04060	5.5
164.04672	2.4
164.47160	1.8
173.00920	17.8
174.01700	100.0
175.02301	8.1
183.13982	2.9
193.08664	1.8
193.12418	2.2
195.13846	3.2
205.05049	2.6
205.12392	5.3
211.13396	31.4
212.13762	2.4
223.13361	23.3
225.14929	1.7
233.17542	1.9
235.13402	3.0
237.11353	2.4
237.14986	3.8
249.15289	2.1
263.12869	7.8
267.12347	22.4
268.12613	1.9
279.12405	4.3
285.13361	2.5
293.13828	2.1
299.50058	1.8
305.13812	3.5
307.11850	16.9
325.12979	4.1
337.12738	2.4
341.26474	2.1
349.12903	4.7
367.13959	33.7
368.14215	6.4
385.16278	4.2
385.26077	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	7.2
59.01383	39.4
71.01393	18.3
72.99294	17.5
73.02919	3.7
75.00874	4.8
83.01405	5.2
83.05014	4.0
85.02934	5.3
87.00890	13.5
87.26424	3.9
90.54768	4.0
93.10430	3.4
99.00875	11.5
103.00425	4.5
108.02156	4.4
112.98818	23.7
115.00336	5.6
121.02957	4.1
132.70334	3.0
135.02966	8.1
135.04520	8.8
135.83049	3.3
139.03873	3.2
139.41138	3.0
142.99892	25.1
147.04463	3.9
148.60634	3.5
155.69214	3.4
156.00584	4.1
161.02473	6.2
173.00960	21.4
174.01704	100.0
175.02307	8.4
179.03360	5.3
191.03487	4.2
205.12277	4.1
211.13399	25.1
212.13585	3.7
223.13367	25.1
225.14946	4.9
253.14394	5.6
263.12811	11.6
267.12366	21.0
293.37241	3.5
294.05325	12.5
295.05649	3.8
307.11929	9.5
309.07697	14.0
367.14313	17.3
385.12836	6.2
385.22318	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	385.1656
Annotation	(+)-Eudesmin
Peak:m/z	Relative Intensity
59.01365	3.4
61.98841	2.9
64.39862	1.8
71.61155	2.1
77.14402	1.6
77.69514	1.5
92.11286	1.5
109.02987	3.9
112.85017	1.6
121.02988	2.3
123.00890	2.5
123.96790	1.8
124.01638	6.1
125.02476	1.8
131.08231	1.8
135.04478	2.8
136.01619	3.0
137.02420	9.3
138.03133	2.0
139.03960	3.4
149.02431	13.2
149.80373	1.6
150.03226	90.0
151.03806	5.9
161.02452	7.8
161.06058	2.0
162.03206	2.6
163.04024	11.6
165.05562	44.1
166.05923	2.7
175.04036	19.4
175.07533	2.2
177.05612	3.7
187.68343	1.6
189.05559	5.9
191.07153	6.1
192.07915	12.1
201.09221	1.9
203.07146	11.7
204.07903	25.5
205.08655	14.0
207.10240	10.9
217.08664	14.2
218.09464	80.9
219.10133	19.9
220.10725	2.3
231.10217	2.9
233.11815	62.8
234.12175	4.9
249.22212	2.2
255.15996	4.3
257.17587	1.8
286.04874	7.6
301.07266	5.8
318.72952	1.9
327.08588	3.5
337.10831	2.2
338.11563	2.5
353.13635	2.2
355.11853	7.4
370.14279	27.2
371.14597	3.5
385.16577	100.0
386.16867	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34099	0.4
53.52669	0.5
53.77734	0.4
55.01874	2.0
57.03451	3.0
58.00598	4.6
59.01379	100.0
60.01708	1.4
61.98851	0.9
68.99825	0.5
69.03457	0.6
71.01382	68.1
71.56004	0.4
71.61987	0.8
72.01733	1.6
72.99308	6.0
73.02943	4.5
75.00882	0.6
79.63947	0.5
81.03454	0.5
83.01376	3.6
83.04996	0.5
85.02435	0.8
85.02952	13.9
87.00879	5.8
89.02444	79.8
90.02774	1.5
90.73491	0.4
93.03440	0.6
94.56599	0.4
95.01380	4.5
97.02932	0.9
97.06613	0.7
99.00869	1.5
99.04526	0.4
101.02444	37.8
102.02795	1.0
103.00381	0.5
107.05018	0.8
108.02174	0.6
109.02899	0.7
112.98863	0.6
113.02449	27.3
114.02760	1.0
119.03502	33.7
119.04866	0.9
120.03826	1.3
121.02963	0.8
122.03739	2.5
123.08164	2.3
125.02440	1.2
125.09702	0.8
131.03529	3.5
135.04507	2.8
135.08171	1.1
137.06035	0.7
137.09698	0.5
143.03511	5.2
147.08127	1.8
149.00902	1.2
149.02548	0.9
149.04596	2.7
149.05615	0.7
149.09781	0.5
150.42189	0.5
153.08043	0.8
153.09213	11.2
154.09563	0.5
157.09804	0.4
159.03000	1.0
161.02440	0.5
161.04573	6.6
161.09674	0.6
163.11276	1.1
164.04735	1.8
165.09210	0.6
166.02687	4.7
166.63225	0.4
166.80357	0.4
167.03329	0.7
175.07553	0.5
177.09340	0.4
177.12820	0.7
179.03416	0.8
179.05623	10.4
179.07091	0.9
179.10774	0.5
180.07915	1.1
181.05141	5.0
181.08690	26.8
182.08990	2.7
187.11287	4.6
188.11475	0.6
189.09175	0.6
190.09921	1.2
203.10767	0.5
204.11432	0.7
205.12315	14.1
206.12572	0.8
208.03711	1.0
211.07243	0.4
219.10139	0.8
223.06119	2.9
223.09592	1.2
223.13359	1.7
233.11736	1.5
241.14468	0.5
259.13245	0.5
277.10812	0.8
304.06915	0.9
325.13098	0.9
334.03149	0.5
343.13602	0.5
385.11142	3.3
385.18744	3.2
386.11572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14620	0.4
59.01374	1.4
62.09405	0.3
64.01244	0.3
69.74281	0.9
69.74686	1.4
71.01379	0.9
72.99306	0.6
75.62737	0.3
78.01825	0.4
79.33381	0.4
87.00883	0.5
89.02437	0.6
93.03428	0.5
101.02448	0.5
103.00430	0.4
108.02193	0.7
109.02924	0.4
109.06605	0.4
111.04519	0.5
113.02392	0.5
119.02612	0.3
121.02945	1.4
122.03756	7.5
123.04046	0.4
123.28794	0.4
124.01650	0.6
135.04510	1.5
137.02408	1.4
137.06075	2.1
142.31039	0.4
154.02724	1.0
179.03453	0.9
180.04265	0.5
181.08704	100.0
182.09027	6.9
209.11737	0.8
268.10602	0.4
280.00931	0.4
343.14221	0.5
383.44189	0.4
385.11392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01382	9.7
61.98828	0.7
69.03473	0.4
71.01384	4.1
72.01721	0.3
72.99303	2.0
73.02943	0.6
75.00859	0.3
83.01398	0.5
85.02946	1.4
87.00884	1.3
89.02444	3.6
93.03408	0.3
95.01371	0.4
97.02955	0.9
97.06568	0.5
98.19878	0.9
101.02456	2.8
103.00383	0.4
107.05036	0.9
108.02184	0.9
109.02937	1.0
111.04538	0.6
113.02476	1.6
119.03496	1.6
119.05017	0.7
121.02986	1.8
122.03737	8.1
123.04549	0.4
123.08205	0.4
124.01701	0.4
125.02459	0.3
135.04532	5.7
137.02454	1.3
137.06079	1.8
143.03505	0.3
145.02921	0.4
149.00902	0.9
149.02490	0.6
153.09235	0.6
154.02711	1.0
161.04628	0.4
161.05965	0.3
163.04005	0.8
163.07678	0.6
164.04753	1.4
166.02654	0.4
167.03470	0.5
177.09229	0.3
179.03499	1.1
179.05565	0.6
179.07158	2.4
180.07906	3.2
181.08707	100.0
182.09033	6.6
187.11317	0.5
203.10667	0.3
205.12334	1.0
219.10216	0.5
223.06226	1.9
223.09729	3.5
224.10248	0.4
247.09863	0.6
272.39215	0.3
277.10745	0.4
283.06094	0.3
290.45657	0.3
325.12921	3.9
326.13501	0.5
343.13959	3.4
385.11066	3.3
385.18915	0.6
386.11780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65937	3.2
57.03452	4.7
59.01382	35.5
59.35438	2.8
65.14293	2.8
68.25372	2.5
69.96569	12.2
71.01386	12.5
72.99319	13.0
73.02952	4.2
83.01441	6.0
83.05034	4.7
85.02961	4.9
87.00886	7.1
89.02427	2.9
92.76396	2.8
99.00876	12.2
103.00372	3.2
106.18405	2.9
110.00436	2.5
111.00876	3.4
112.98812	32.9
113.02393	3.1
113.99560	2.6
115.00368	6.4
119.05010	3.9
124.01688	3.1
135.03040	5.3
135.04530	7.1
137.02399	3.6
142.99861	35.6
156.00681	5.4
159.09207	2.8
161.02490	4.3
163.04037	3.3
173.00931	18.1
174.01701	100.0
175.02377	7.7
179.03519	3.5
193.08572	2.7
208.30284	2.7
211.13419	30.2
219.14030	3.6
223.13368	29.4
225.86868	3.0
235.13370	2.9
245.11879	2.9
253.14523	3.4
263.12811	10.5
267.12296	23.2
268.12714	4.4
279.12268	2.9
294.05338	20.4
307.11951	13.1
309.07751	14.9
312.06168	2.9
313.07187	4.4
325.12836	4.1
349.12863	4.1
367.14148	25.5
385.13080	8.5
385.22351	10.8
386.22546	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1403
Annotation	GS-1
Peak:m/z	Relative Intensity
57.03429	1.1
58.02976	10.0
59.01376	7.7
59.85934	0.8
69.03451	1.2
70.02988	4.4
71.01392	2.7
71.61154	1.0
72.00915	17.6
72.04556	1.8
72.99316	1.8
74.02473	45.5
75.02823	0.8
81.04568	0.8
85.01726	0.7
85.02951	9.1
87.00874	6.4
89.02464	1.4
93.03468	1.2
97.02989	0.9
97.06599	1.4
98.02473	12.2
109.02972	2.4
113.02481	1.5
116.03539	15.4
119.05046	1.3
121.03002	3.3
123.04555	1.1
130.99924	1.0
134.03741	1.8
135.04526	6.5
137.02460	1.1
137.06149	1.2
147.03108	1.1
147.04602	1.2
149.00964	2.5
149.02478	9.9
149.06152	1.5
151.04062	1.1
152.01157	1.1
158.03699	0.9
161.02463	1.1
161.06136	1.1
162.06857	1.7
163.04015	5.0
163.07671	1.0
164.04800	8.8
173.06081	8.0
174.01779	1.6
175.04047	2.6
179.03511	1.9
179.07217	3.3
180.07983	2.5
181.05081	1.9
181.08769	3.1
183.01286	0.8
189.09276	1.0
191.01970	3.3
193.01491	3.9
193.05042	1.0
195.08156	6.1
196.08636	0.9
205.05064	2.4
208.03740	8.8
208.08910	4.0
209.02786	12.8
209.09753	6.0
210.03078	0.9
217.08669	1.8
219.10257	1.2
221.09700	11.0
221.11568	1.1
222.10115	1.3
223.06119	21.9
224.06514	2.0
237.09218	1.3
238.12494	2.3
239.07237	2.0
240.08113	2.7
252.07965	1.6
253.01804	5.1
253.08647	2.1
254.02196	0.8
256.09854	1.1
261.11380	1.1
265.08737	4.4
268.09799	1.6
268.13580	3.1
270.11496	3.2
277.11115	1.0
280.13412	13.4
281.13776	1.6
282.11337	2.2
298.10980	1.4
300.12393	1.4
324.12302	5.1
326.10379	8.5
340.12024	1.6
341.12015	1.7
343.12988	22.8
343.16919	1.3
344.13272	2.8
367.10553	3.4
368.11456	1.0
385.14249	100.0
386.14523	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	384.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67004	2.1
59.01378	100.0
71.61543	4.4
77.09395	2.3
82.01882	2.1
131.18269	2.1
212.12888	2.5
221.98114	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	385.1142
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
50.56789	0.9
54.24598	0.7
57.03444	1.3
57.39686	0.8
59.01381	8.5
59.90085	0.7
67.44798	0.8
69.55053	3.6
69.55475	2.4
71.01399	3.7
72.99312	4.1
85.02951	3.7
87.00858	1.9
89.02444	2.6
93.03471	1.1
95.01428	1.0
101.02429	2.0
103.00390	1.2
104.73543	0.8
109.02914	1.1
113.02436	2.9
117.03428	1.5
121.02947	8.3
129.02008	1.1
134.03758	21.0
135.04611	3.9
136.05299	2.3
137.02426	1.4
137.06070	1.0
139.79648	0.7
149.02448	41.0
149.06076	1.9
150.02821	3.8
150.06885	0.9
151.03996	1.4
151.07637	1.3
152.01154	8.7
161.02451	1.3
162.06871	1.3
163.04028	7.2
163.07632	2.4
164.04810	34.2
165.01898	2.9
165.05121	0.8
166.04883	0.7
167.03568	1.0
169.05074	3.0
175.07565	1.1
179.03529	0.9
179.05670	1.3
179.07106	10.4
180.07872	3.5
181.05080	2.7
181.08708	7.4
190.02711	2.5
191.05606	2.0
191.10730	2.4
193.01431	17.5
193.05057	17.9
194.01724	1.0
194.05418	1.0
205.05060	2.7
208.03777	37.9
209.04129	2.3
209.06656	4.1
219.10182	3.7
223.06120	100.0
224.06474	7.9
229.08818	0.8
256.77890	0.7
277.10776	2.8
304.26099	0.9
367.10352	2.5
385.11282	12.0
386.11417	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1293
Annotation	Kenusanone D
Peak:m/z	Relative Intensity
57.03452	7.6
59.01370	1.6
61.98823	0.6
81.03456	0.5
83.01408	0.9
83.05025	0.5
90.85053	0.4
91.03983	0.5
107.05016	0.4
107.08662	1.5
109.06580	4.8
121.02951	1.1
124.01670	13.1
125.02361	0.7
125.09741	6.2
126.09993	0.5
137.02495	2.1
148.01628	0.7
149.09737	6.8
149.84561	0.4
150.03235	1.8
150.10066	0.6
151.07649	3.7
162.93939	0.4
165.76093	0.3
166.03830	0.5
171.10249	0.6
176.01138	3.7
177.01941	0.6
191.03506	3.8
192.04176	1.3
193.08688	100.0
194.09018	6.9
195.13898	1.0
205.38441	0.6
207.06638	0.5
220.10620	0.5
233.08124	0.8
253.01990	0.5
311.22318	8.4
312.22705	0.8
319.48669	0.5
385.12878	10.3
386.13245	1.3
390.99829	0.4
397.89453	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	383.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.4
59.01382	11.9
68.46964	1.3
71.01390	2.9
71.61456	2.0
73.02923	2.0
79.89597	1.4
83.05016	1.7
89.02454	4.8
91.04009	24.0
97.02922	2.7
101.02451	1.7
109.06514	2.0
111.08158	36.6
112.08475	1.7
115.28908	1.2
121.06512	1.3
129.50443	1.3
134.03700	1.1
135.04500	1.2
137.09712	2.9
151.49881	1.2
153.12767	2.1
160.23642	1.2
163.11362	1.3
165.12881	1.9
169.12347	7.8
171.10246	3.9
181.12367	2.0
183.13857	2.9
193.12349	1.4
197.11826	94.2
198.12154	7.9
198.13678	1.2
199.13391	7.4
209.11780	2.5
211.13342	11.6
212.13750	1.6
227.12846	7.0
247.20576	1.6
263.20117	13.1
265.18097	3.5
272.32605	1.4
273.18628	4.1
289.18155	1.4
291.19659	52.1
292.19943	7.3
309.20709	100.0
310.20993	13.1
311.22284	6.0
323.63290	1.3
346.17526	1.3
383.24414	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	383.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87814	1.7
54.09549	1.4
55.01844	1.8
56.62907	1.4
56.99257	1.4
58.00556	2.2
59.01381	100.0
61.98823	4.8
69.46710	12.1
71.01385	31.2
72.99310	10.0
73.02935	4.9
79.72826	1.8
83.01378	4.4
84.11980	1.7
85.02942	10.8
87.00868	8.2
89.02444	28.8
95.01362	2.5
99.00893	4.6
101.02457	23.7
103.00343	2.5
105.59548	1.3
109.02972	3.1
111.00906	1.9
113.02454	12.9
116.92822	2.0
119.03510	13.8
119.05009	4.4
133.02966	1.7
134.03716	3.4
135.03606	2.1
135.04535	30.4
137.02443	2.5
137.31232	1.4
143.03452	2.7
148.05310	2.2
149.00894	4.8
149.02396	1.9
149.04504	1.5
150.03168	1.5
151.03995	1.9
158.03761	1.8
159.02910	2.2
159.04474	4.1
161.02480	11.0
161.04576	14.8
161.08199	2.3
161.11824	3.5
163.03983	6.2
164.04776	3.4
177.05502	3.6
179.03539	8.6
179.05779	7.7
179.07089	5.1
183.06514	1.5
190.91924	1.5
193.05029	2.4
202.02722	2.6
206.05827	1.6
219.06537	1.9
220.07318	2.4
221.04460	5.0
221.08112	3.1
222.07637	2.1
251.00934	1.5
277.10864	1.6
323.17090	40.5
324.17407	4.2
365.08618	2.4
383.09988	11.5
383.14514	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29387	1.5
58.00609	2.3
59.01379	13.6
61.84648	1.2
69.03447	1.8
69.17791	1.3
71.01370	5.7
71.11194	2.1
73.02940	2.1
76.96654	1.2
80.73914	1.2
83.05033	1.7
87.00900	1.7
89.02436	6.9
91.04009	21.3
97.02971	1.6
108.04065	1.2
108.09738	1.1
109.06614	1.3
111.08173	36.9
112.08480	2.5
127.07665	2.2
134.03824	1.7
137.09712	2.1
141.96353	1.1
143.10817	1.3
153.09148	1.6
153.12819	3.1
160.74178	1.3
165.12912	1.4
169.12387	7.6
170.12766	1.3
171.10333	2.1
181.12381	2.8
183.13901	3.0
197.11841	96.1
198.12094	6.1
199.13432	5.1
202.00935	1.2
211.13406	10.9
225.14822	1.5
227.12917	5.0
263.20248	9.0
265.18033	3.4
272.26907	1.2
273.18646	2.7
281.01273	1.5
291.19659	49.7
292.20123	6.9
292.22867	1.3
309.20731	100.0
310.21124	14.2
311.22189	5.8
341.10770	1.6
383.24481	3.8
398.17844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.3
58.79643	1.2
59.01377	13.7
61.98828	2.4
71.01385	5.4
71.05028	3.7
72.99315	1.4
73.02950	2.3
76.64146	1.2
83.05028	2.6
85.06606	3.4
87.00867	1.9
87.04520	1.9
87.32238	1.4
89.02432	9.1
90.42068	1.5
91.04012	24.5
101.02438	1.7
109.06621	3.0
111.04542	1.8
112.00423	2.3
136.99425	1.2
142.30937	1.3
149.05998	1.4
161.04721	1.4
169.12389	1.2
170.97945	1.4
171.10316	2.0
179.03644	1.3
179.10806	1.6
179.14392	3.7
195.13902	18.8
196.14258	1.8
221.15485	12.3
223.13339	6.8
233.15471	1.8
235.16872	1.6
239.16417	2.8
247.20543	1.6
251.16592	3.6
273.18585	3.9
291.19635	43.1
292.19983	5.0
309.20712	100.0
310.21045	14.4
341.10510	1.8
383.11050	2.8
383.15887	2.0
383.24634	9.8
384.25009	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	383.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60847	0.5
57.03441	1.4
58.00591	4.7
59.01381	100.0
60.01712	1.2
61.88705	0.5
66.19234	0.5
67.45126	0.5
69.03465	1.9
71.01394	0.6
71.05040	0.6
72.99309	5.4
76.00677	0.5
80.49284	0.5
84.01604	0.5
87.00877	41.9
88.01237	0.9
89.02478	0.6
91.53288	0.5
99.04509	2.9
103.00375	59.8
104.00720	1.2
112.98815	2.9
130.99866	32.0
132.00174	0.9
133.86459	0.5
143.50847	0.5
161.59052	0.5
211.72861	0.5
251.16519	20.3
252.16936	1.8
314.63821	0.5
383.17328	4.1
384.17615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30764	1.7
57.03463	1.6
57.68811	1.5
58.00596	6.4
59.01378	100.0
68.40364	1.7
69.84922	3.9
69.85335	6.8
71.01374	3.4
72.99303	9.1
73.02934	1.5
83.27480	1.5
87.00880	53.7
101.02440	1.8
103.00373	68.1
104.00700	3.1
112.98785	5.8
113.02478	1.8
119.04993	2.6
130.98941	3.4
130.99858	35.0
135.04515	6.6
149.00983	2.6
154.99854	2.0
161.02470	2.5
179.03455	2.6
185.11697	2.2
203.03546	2.2
209.07332	2.5
222.70255	1.8
251.16527	28.2
252.16916	2.8
315.12830	1.8
339.25336	2.3
345.11511	1.7
362.22818	1.8
365.23108	2.2
383.11240	6.0
383.17072	7.8
383.24329	26.3
384.24615	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78056	0.9
55.01871	5.0
57.03427	3.8
58.00593	1.8
59.01378	44.7
61.98830	5.5
63.10973	1.0
69.03464	2.0
69.57988	5.9
71.01384	66.4
72.01711	1.3
72.99305	3.0
73.02947	29.5
74.50547	0.7
75.00862	3.5
83.01387	11.5
85.02951	31.5
87.00882	4.5
87.04529	1.1
87.24174	1.0
89.02448	28.5
95.01396	4.5
95.06577	0.8
97.02954	3.0
98.20596	1.9
99.00887	15.6
101.02446	60.3
102.02795	1.5
103.04062	0.9
109.02969	1.3
111.00874	1.1
113.02452	27.1
115.04008	4.3
119.03507	4.0
125.02457	6.7
129.01897	0.9
131.03485	4.8
135.04524	3.3
143.03513	2.3
149.04533	6.6
159.03017	6.0
161.04553	32.0
162.04895	1.4
163.03957	1.4
169.85916	0.9
179.03644	0.9
191.05559	2.1
192.66747	1.0
221.04514	1.1
221.10402	1.1
222.07693	2.6
233.06636	6.2
251.11339	82.6
252.11711	6.3
293.08670	1.7
383.15570	100.0
384.16165	10.1
409.05142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.8
57.03447	4.6
58.00584	2.0
59.01381	54.8
61.98826	3.3
66.92587	1.1
69.03451	3.1
71.01384	83.6
71.15107	1.9
71.15440	1.9
72.99306	4.4
73.02947	31.4
73.11335	1.1
75.00880	3.0
77.71306	1.1
83.01389	12.3
83.75658	1.1
85.02957	38.6
87.00877	6.8
89.02448	31.2
95.01392	5.6
97.02962	3.8
99.00894	16.6
99.04498	1.4
101.02444	75.6
102.02802	1.5
109.02940	2.7
111.00848	2.4
113.01691	2.1
113.02451	26.5
115.03997	3.2
119.03487	5.1
125.02448	4.9
129.01993	1.3
131.03502	3.9
133.02997	1.3
135.04500	6.9
143.03481	5.0
149.04572	8.3
159.03006	7.6
161.02496	2.4
161.04572	38.7
162.04843	1.7
163.03947	1.3
173.05968	1.5
174.03624	1.2
176.03494	3.3
177.01843	1.7
177.03922	1.9
177.05449	2.6
179.03471	1.6
179.05673	1.5
191.05458	2.8
221.04581	2.6
221.10286	15.0
233.06650	4.2
251.11343	64.4
252.11624	5.2
281.12509	1.7
293.08914	1.8
323.13275	1.2
383.10770	3.8
383.15549	100.0
384.15945	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	383.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61845	1.7
56.78497	1.7
59.01380	100.0
60.01677	1.8
69.90553	9.1
71.01379	33.5
73.02935	5.7
85.02952	12.9
87.00876	6.1
89.02440	3.5
95.01379	2.1
99.00855	3.6
101.02435	12.7
101.06084	1.6
111.29274	1.8
112.97335	1.7
112.98818	1.9
113.02419	6.7
135.04564	11.2
147.05511	3.2
147.06625	31.7
159.02974	2.6
161.02501	3.1
161.04553	15.5
163.03973	1.9
172.00102	4.6
173.08174	4.6
179.03456	5.5
194.05794	2.2
201.07683	5.0
209.08148	4.4
237.94910	2.1
263.11359	32.2
264.11444	2.3
266.42822	2.0
291.10831	17.5
320.79199	1.9
323.07751	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	383.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17103	0.5
52.17608	0.5
56.09827	0.5
57.08447	0.5
59.01381	9.4
63.68387	0.5
63.97892	0.6
68.99805	0.9
71.01380	2.3
71.05021	1.3
72.99313	0.9
73.02957	0.6
81.03460	1.5
83.01344	1.0
83.05019	1.5
85.05263	0.6
87.00878	20.9
91.05535	1.3
93.03448	4.9
95.05031	1.5
96.96030	0.6
97.06591	37.7
98.06915	1.9
98.19842	1.5
101.02465	0.7
103.00356	1.6
103.05555	0.9
104.68338	0.6
105.03460	1.6
107.05024	10.2
108.02195	1.3
108.05337	0.7
109.02963	0.7
111.04517	4.7
112.05299	1.8
112.98804	1.8
113.02475	0.7
113.06068	1.1
115.00357	0.6
119.05013	3.9
121.02956	73.4
122.03776	22.8
123.04581	4.6
130.04207	0.6
133.02948	1.1
134.03748	1.8
135.04539	7.7
136.01585	0.7
136.04945	0.7
137.02444	4.5
138.48764	0.6
139.04019	0.8
145.02933	1.7
145.06509	0.6
147.04529	28.1
148.05342	8.6
149.00897	0.8
149.02469	3.1
149.06094	2.7
150.03194	1.0
154.02640	0.8
159.04523	0.9
161.02425	1.1
163.04013	21.9
164.04797	8.0
165.05600	2.7
167.06129	1.1
175.03932	0.6
175.07657	1.0
179.03532	2.7
179.07191	0.7
181.99908	0.7
185.11748	0.7
191.03516	9.7
192.04268	6.8
193.01422	1.0
193.04999	1.9
201.09258	2.9
217.08810	1.0
219.10295	4.2
223.13519	0.9
229.23326	0.6
261.11169	3.3
267.12396	0.6
289.10684	3.1
291.08829	1.1
298.04736	0.7
321.13501	1.8
323.11353	16.0
324.11697	2.5
351.11038	4.5
365.12457	1.0
368.08740	0.7
383.13489	100.0
384.13782	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	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.0
60.52139	0.9
68.99820	1.6
71.01384	2.7
71.61668	1.3
71.62082	1.6
72.99300	1.5
78.90395	1.0
83.04998	1.6
87.00880	23.6
89.02443	1.7
91.05554	1.6
93.03481	6.6
97.06600	13.2
100.06900	1.3
101.02461	1.5
103.00401	1.2
105.03493	2.5
107.05029	23.2
107.05702	1.8
109.02995	1.6
111.04491	1.7
112.05302	17.9
112.98804	1.9
113.02445	1.2
115.00448	1.0
119.05054	3.7
121.02956	61.0
122.03798	11.6
123.04530	4.2
123.05392	1.1
130.04294	1.2
130.99869	2.6
131.08292	4.3
133.02972	1.2
135.04515	6.2
137.02429	6.3
139.04083	1.4
142.67567	1.0
143.05089	1.6
145.02971	1.7
145.06541	1.3
146.03749	1.2
147.04529	31.2
148.05310	6.5
149.00941	1.7
149.02481	2.7
149.06004	1.8
161.02409	1.8
163.04013	20.4
164.04779	9.7
165.05447	2.1
172.05386	1.4
174.08829	1.1
175.07686	1.3
178.06398	1.7
179.03499	2.3
179.07106	1.2
191.03482	10.1
192.04274	8.6
193.04915	1.1
201.09229	10.7
219.10327	2.3
221.04393	1.4
261.11389	2.8
291.08786	1.6
298.05035	1.4
308.11948	1.1
323.11401	13.0
351.10855	8.9
359.90585	1.2
383.13498	100.0
384.13818	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21124	0.3
57.03448	35.2
58.03799	0.5
59.01391	2.5
69.28606	2.8
69.28996	0.6
71.01394	0.6
72.99321	0.3
87.00883	0.9
87.55115	0.3
93.03461	1.6
98.77921	0.3
103.00347	0.4
109.02956	2.9
112.98850	0.3
113.91958	0.3
119.05015	0.8
121.02956	29.2
122.03271	1.2
133.02979	0.2
135.04521	1.0
137.02463	0.7
138.13390	0.3
143.98914	0.3
145.02950	0.9
149.00888	1.1
161.02385	0.4
161.09645	0.6
163.03981	0.4
177.05580	0.3
179.07135	100.0
180.07494	6.9
230.40359	0.3
383.09250	0.5
383.13544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1347
Annotation	Spicatolide G
Peak:m/z	Relative Intensity
56.89249	0.7
59.01380	6.4
60.40787	0.8
68.99829	0.7
69.78230	0.7
71.01377	1.6
71.05006	0.7
73.02977	1.1
83.05038	2.1
87.00878	21.2
91.05512	1.6
93.03448	5.2
95.05056	1.2
96.96013	1.0
97.06593	34.5
98.06924	1.2
103.00423	0.8
105.03487	1.5
107.05028	10.5
111.04528	4.5
112.05328	1.4
112.98809	1.4
113.02448	0.7
113.06142	1.1
119.05025	5.1
121.02958	69.1
122.03776	23.9
123.04629	5.4
133.02940	0.8
134.03741	1.0
135.04530	7.0
137.02467	4.5
139.04016	1.5
145.02959	1.6
145.06651	0.8
147.04524	29.5
148.05328	8.9
149.00931	0.8
149.02415	2.2
149.06093	1.3
150.03229	1.0
161.02345	1.0
163.03999	22.3
164.04788	8.8
165.05531	2.8
179.03516	1.6
184.52190	0.8
191.03484	11.2
192.04286	6.7
193.05093	1.9
201.09239	2.6
219.02930	1.0
219.10254	4.5
229.18744	0.7
261.11313	2.8
289.10837	3.5
291.08765	1.0
297.04138	1.1
298.04849	2.2
321.13428	2.4
323.11359	16.3
324.11725	1.8
349.28110	0.7
351.10965	6.0
383.13504	100.0
384.13852	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	383.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36867	0.5
58.03029	0.5
59.01377	3.5
59.20378	0.6
61.98838	2.9
62.87760	0.6
65.11016	0.6
65.50019	0.6
71.01371	1.2
71.62167	0.7
71.69681	0.6
73.02930	0.6
75.26373	0.5
83.25549	0.7
84.47903	0.6
89.02436	1.4
91.04003	2.0
91.17176	0.5
91.63663	0.6
93.03506	0.5
95.01414	0.8
97.02961	1.8
111.39954	0.6
112.98810	0.7
121.02916	1.7
133.02927	0.9
137.09766	1.0
145.02937	0.7
148.01656	3.9
149.02452	1.9
160.01648	2.1
160.84224	1.0
161.02461	0.7
161.59642	0.6
163.73257	0.7
165.01953	0.8
171.10263	1.7
188.01155	12.8
189.01817	2.1
190.02711	1.2
195.13849	1.0
197.06067	1.1
209.05974	1.0
213.05646	1.3
214.06169	0.7
225.05594	4.5
226.06197	1.3
227.03391	0.9
241.05067	7.0
242.05582	1.2
253.05074	5.6
254.05623	2.0
255.03098	0.7
269.04520	9.3
270.05280	2.9
281.04572	1.3
291.19687	2.1
296.03284	1.9
297.04028	20.6
298.04816	86.2
299.05188	10.9
302.01913	0.6
309.20688	7.8
311.05756	1.1
312.06332	4.2
313.07169	9.0
314.07520	1.3
335.05579	0.8
344.05338	8.8
349.07086	1.7
350.07983	5.3
355.11444	0.6
365.10205	2.3
368.09012	14.1
369.09399	2.1
383.11359	100.0
384.11688	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	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35915	0.4
57.03449	32.7
58.03793	0.6
58.65591	0.4
59.01381	6.0
61.98816	0.5
71.01360	1.8
71.61758	0.6
71.99774	0.3
72.99299	0.6
73.02928	0.4
85.02966	0.4
85.50890	0.4
87.00854	2.2
89.02448	0.7
93.03447	1.6
101.02457	0.7
103.00391	1.4
109.02963	3.4
112.98809	0.9
113.02447	0.5
119.05029	1.1
120.05362	0.4
121.02958	31.9
122.03313	1.3
127.52415	0.4
134.03746	0.7
135.04530	3.9
137.02480	2.2
142.87148	0.4
145.02948	1.1
147.04488	0.5
149.00926	2.1
149.06046	1.0
160.01700	0.5
161.02435	1.4
161.09724	0.7
163.04044	1.1
175.04030	0.6
175.07640	0.5
177.05553	0.7
179.03786	4.2
179.07133	100.0
180.07481	7.4
251.09291	0.9
383.09329	0.8
383.13940	2.1
407.76468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47967	0.5
58.36993	0.6
59.01380	100.0
60.01714	1.1
64.49727	0.6
81.12972	0.6
88.34744	0.5
110.43894	0.5
218.05537	0.6
218.77986	0.6
229.08943	0.7
243.42877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.0
59.99405	0.8
61.83911	0.8
71.01382	2.1
71.62821	1.6
84.99315	9.6
87.00877	2.4
91.51048	1.0
96.96024	1.6
101.02427	1.2
103.00356	1.2
112.98810	100.0
113.02428	1.0
113.99152	2.9
119.05090	2.3
121.02954	69.3
122.03278	3.0
131.05023	1.3
133.06613	2.6
135.04507	5.3
138.63959	1.0
140.11316	0.8
147.04529	41.2
148.04863	2.3
161.06079	2.5
163.04005	19.3
164.04350	1.5
181.03006	1.2
189.05566	6.6
191.03529	1.3
203.39684	0.9
247.03621	1.0
383.15817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55684	1.2
67.06562	1.2
75.19190	1.2
78.93718	1.2
78.95907	16.1
89.39529	1.3
93.10122	1.3
107.67699	1.5
121.51834	1.3
137.06123	1.6
149.05971	1.5
152.99585	21.1
162.82756	1.3
170.05807	4.8
181.12291	2.1
192.11601	1.8
199.13344	2.7
233.19191	2.4
235.20674	1.7
251.20213	3.5
277.18091	79.1
278.18417	8.5
279.19690	26.4
280.20047	3.8
295.19147	100.0
296.19482	12.0
363.25403	18.2
364.25754	2.8
381.21454	1.6
381.26205	8.0
392.28024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1005
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
59.01381	6.2
61.98833	3.4
65.01434	0.4
71.01385	13.7
71.60213	0.5
72.99323	1.2
73.02953	1.9
75.00855	0.6
81.03484	0.4
83.01395	1.2
85.02965	2.2
85.03416	0.5
87.00885	1.4
87.02750	0.6
88.03134	0.4
89.02446	2.7
92.02583	0.5
93.03459	0.5
97.02970	0.5
99.00865	0.9
100.00404	5.6
101.02451	3.9
107.03658	2.7
109.02975	1.6
111.00906	0.4
113.02452	2.0
115.00377	14.2
116.00722	0.4
119.03614	1.1
119.05031	5.1
121.02919	0.5
125.02419	0.6
131.03476	0.6
133.02968	0.5
133.03934	0.6
133.06607	0.5
134.04732	100.0
135.04491	3.2
135.05226	1.4
135.06711	0.5
140.07196	0.5
143.03482	0.5
145.02959	0.6
146.04750	0.8
146.08244	0.7
149.02542	0.4
149.06050	0.7
159.02989	0.5
159.04323	0.4
160.06183	0.4
161.02448	1.0
161.04587	1.4
161.87563	0.4
162.03288	0.5
162.07860	9.2
163.03958	1.0
163.07819	0.3
164.01985	0.4
164.04823	0.5
165.05501	0.4
166.05045	0.3
173.05998	0.6
175.04031	0.5
176.03555	1.0
176.07117	0.7
177.01971	1.0
177.05594	1.2
179.03494	0.5
179.07152	0.9
188.05878	0.7
206.06833	33.1
207.07132	1.8
217.08687	0.6
219.05266	0.6
220.06158	3.4
221.04532	2.3
221.10275	0.8
232.04764	1.0
250.05780	3.6
251.11285	2.4
265.06857	0.5
266.08914	4.1
321.09702	0.8
340.13376	0.4
365.09158	0.5
382.10065	29.3
382.15701	1.8
383.10208	6.8
383.15616	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39781	0.7
55.01880	5.0
57.03448	5.1
57.91219	0.7
58.00605	1.7
59.01380	42.5
69.03465	1.7
69.27055	4.9
69.27460	1.9
71.01383	60.7
72.01715	1.0
72.99327	3.1
73.02535	1.7
73.02947	33.9
75.00866	1.5
81.03473	1.1
83.01387	12.5
85.02952	34.4
86.00097	1.7
87.00873	5.4
87.08176	1.4
89.02452	10.0
95.01352	3.8
97.02975	2.2
99.00882	13.2
101.02445	63.2
102.02792	2.2
109.46698	0.8
111.00909	2.0
113.02454	22.1
114.02809	1.3
115.04007	1.3
123.19572	0.8
124.00719	1.0
125.02420	3.5
129.01944	1.3
131.03537	4.2
140.94318	0.7
143.03519	2.6
149.04593	1.8
152.93608	0.7
157.08748	1.5
159.02988	4.7
161.04556	24.0
162.04950	0.8
176.03558	0.9
177.01970	2.4
177.03816	0.7
188.14804	0.7
189.72623	0.7
192.17677	0.8
205.03551	1.4
233.06596	2.8
249.13428	100.0
250.13727	8.6
293.08835	1.4
293.12311	1.5
298.29001	0.7
381.17612	94.7
382.17953	9.6
388.14667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1921
Annotation	Viguilenin
Peak:m/z	Relative Intensity
54.31680	0.3
54.80126	0.4
55.01873	0.9
57.03440	0.9
58.00600	1.3
59.01382	8.7
60.01714	0.4
69.03459	2.2
69.72203	1.0
69.72612	0.8
69.82082	0.3
71.01385	9.3
72.99319	0.9
73.02944	5.1
73.23505	0.4
83.01389	2.5
83.05022	0.5
85.02946	4.8
87.00889	1.4
87.04514	0.4
89.02448	1.9
89.14142	0.3
95.01397	0.4
95.05057	0.4
96.27950	0.3
97.02960	0.6
99.00910	1.4
101.02444	7.3
101.03084	0.5
101.06068	0.3
103.00360	0.5
111.00916	0.4
112.98843	0.3
113.02446	3.4
113.06088	0.9
117.31340	0.3
119.05025	0.5
124.00731	0.5
125.02467	0.4
125.09707	0.4
129.01920	0.4
131.03458	0.5
133.02989	0.3
135.04555	0.7
135.08151	0.8
137.09723	2.4
143.03496	0.5
145.02965	0.4
147.08168	0.4
149.00925	0.7
149.04637	0.3
149.06093	0.8
159.02998	0.7
159.06444	0.6
161.04573	2.5
161.05783	0.4
163.04036	0.8
177.01953	1.3
191.14363	0.5
217.15953	0.6
233.06604	0.4
235.20772	0.5
245.19115	1.8
249.13443	12.9
250.13802	0.9
255.17659	0.5
257.15445	1.0
257.19083	0.8
259.16956	0.5
260.03918	0.6
261.18790	0.4
263.20178	0.9
273.18628	1.8
274.19177	0.4
275.20139	0.9
289.18210	0.4
291.19650	0.4
293.17627	0.5
300.52933	0.3
309.20889	0.5
319.19174	0.9
320.19223	0.5
335.18793	0.5
337.17099	0.5
337.20206	36.0
338.20572	5.2
381.19165	100.0
382.19568	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	381.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96757	13.6
59.01386	100.0
61.98822	21.5
62.13582	11.7
78.95921	13.6
98.19919	37.6
104.17848	13.1
122.02197	13.9
152.99579	21.4
202.87636	15.8
236.07544	14.6
381.03561	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	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83502	0.7
61.98851	0.9
78.95921	2.3
98.20623	2.4
116.93768	0.9
138.06781	0.8
148.56270	0.8
152.99561	5.1
153.12880	3.4
163.11290	1.5
165.12813	4.0
170.05875	2.8
179.10770	12.7
180.11177	1.0
181.12335	36.6
182.12650	2.9
195.10268	1.9
197.11778	2.6
199.13390	100.0
200.13748	7.9
215.12900	3.1
225.00732	0.8
234.70102	0.8
324.97092	0.9
363.25311	4.7
372.79736	0.9
381.11032	1.7
381.26639	4.8
382.26752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.5
66.92129	1.2
69.50332	9.8
74.99077	21.7
75.96206	4.2
76.34262	1.3
78.95913	1.3
91.02209	42.2
91.91611	1.3
93.00134	19.2
102.56593	1.3
112.57605	1.6
118.92519	1.3
126.94983	1.4
159.08466	100.0
160.08607	6.9
161.06395	11.8
174.06682	1.5
191.94955	1.6
249.39233	1.5
365.10690	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.2
57.03448	6.5
58.00579	3.3
59.01377	77.6
61.98809	2.0
63.87942	1.0
69.03441	3.6
70.32331	1.1
71.01383	81.6
71.61526	1.8
72.01725	2.0
72.99297	4.7
73.02946	29.4
73.60339	1.1
75.00860	2.9
78.50747	1.0
81.03453	1.4
83.01395	16.5
83.56607	1.0
85.02954	33.3
85.06597	1.0
86.03250	1.2
87.00885	9.6
89.01908	2.0
89.02447	36.8
93.03466	1.2
95.01364	4.3
96.52712	1.1
97.02936	3.7
99.00893	11.7
99.72729	1.0
101.02446	71.6
101.06091	11.0
102.02769	1.7
103.00353	2.1
110.68674	1.0
111.00904	5.1
112.48165	1.0
113.02451	22.9
113.06079	1.4
115.04008	1.7
115.07618	2.7
119.03478	2.9
119.05028	2.1
121.02881	1.6
123.04498	1.2
124.00699	2.9
125.02449	5.3
129.01906	2.0
131.03506	22.0
133.02927	2.8
135.04527	2.6
137.02435	1.1
137.09703	2.2
143.03485	4.4
145.02972	2.6
149.00882	3.1
149.02361	1.6
149.04517	9.3
149.06041	3.0
159.02969	4.2
161.02458	2.0
161.04564	25.5
163.03996	1.7
176.01114	8.5
176.03487	1.1
177.01926	66.8
178.02232	3.5
190.08720	1.6
205.03479	1.6
205.08765	1.9
219.03006	1.6
233.06583	4.0
245.18958	1.5
249.13425	100.0
250.13699	8.9
260.03815	2.7
273.18491	1.3
277.08160	1.3
293.12473	1.3
321.06070	4.5
322.97159	1.1
329.85535	1.1
337.20209	20.1
338.20511	4.2
381.08652	8.0
381.18192	99.6
382.09766	1.1
382.19299	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	381.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
57.03445	3.3
58.00594	1.5
59.01380	33.1
68.99812	1.9
69.03465	3.7
70.80312	0.6
71.01384	100.0
71.05012	0.7
72.01723	2.1
72.99324	2.4
73.02946	9.5
78.80889	0.8
81.03452	2.7
83.01389	14.8
84.02174	1.2
85.02954	19.4
87.00878	6.5
87.04511	5.8
89.02443	8.2
89.06084	10.3
95.01399	5.4
96.96967	1.4
97.02959	3.4
99.00893	2.2
100.95987	0.7
101.02449	11.2
102.98608	0.7
103.00358	5.1
112.01644	2.9
112.98808	1.2
113.02449	22.8
119.05021	1.2
121.02956	33.0
122.03259	1.4
125.02446	4.2
127.00369	0.8
130.99878	2.4
131.07109	1.5
135.04523	2.5
143.03523	3.8
145.02998	1.0
155.07117	0.9
161.02440	2.2
161.04556	3.9
165.01929	3.0
179.03508	1.5
203.09216	1.4
233.10286	19.1
234.10736	1.1
237.07677	7.1
249.11301	0.9
291.08774	1.2
381.11890	49.9
382.12811	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	381.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03310	0.8
56.36898	0.9
59.01369	4.4
61.98839	13.6
69.81992	5.6
71.01376	3.6
72.00901	2.1
76.60449	0.9
89.02464	1.9
92.05067	2.6
98.20614	1.7
100.04059	1.6
101.02405	1.3
113.02430	1.1
113.49422	0.9
116.05061	3.3
128.09544	0.9
131.03752	1.9
132.04568	7.7
134.06062	1.0
135.04526	2.3
135.66545	0.9
142.06609	3.1
144.04564	8.1
154.06628	1.6
155.06216	1.2
156.06902	6.1
157.05339	1.6
157.07741	5.1
158.04866	1.1
158.06114	3.2
159.05638	1.9
160.04063	9.9
161.04520	1.0
167.06134	12.0
169.07718	2.9
170.06142	1.7
171.09258	8.7
173.07210	11.0
179.06104	1.1
180.06924	1.2
181.07716	58.5
182.06181	1.8
182.07991	4.5
187.08798	1.3
188.05917	1.9
197.07185	4.1
199.08768	32.5
200.09105	1.9
201.06682	3.5
217.09827	3.7
219.07803	1.0
226.05045	3.6
227.05360	1.1
243.07742	25.7
244.08011	1.7
261.08801	100.0
262.09189	8.9
269.20419	1.0
273.08792	2.1
291.09836	1.6
319.13174	1.2
358.73654	1.1
363.11942	3.2
381.13025	16.3
382.13312	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	381.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
57.03445	3.3
58.00594	1.5
59.01380	33.1
68.99812	1.9
69.03465	3.7
70.80312	0.6
71.01384	100.0
71.05012	0.7
72.01723	2.1
72.99324	2.4
73.02946	9.5
78.80889	0.8
81.03452	2.7
83.01389	14.8
84.02174	1.2
85.02954	19.4
87.00878	6.5
87.04511	5.8
89.02443	8.2
89.06084	10.3
95.01399	5.4
96.96967	1.4
97.02959	3.4
99.00893	2.2
100.95987	0.7
101.02449	11.2
102.98608	0.7
103.00358	5.1
112.01644	2.9
112.98808	1.2
113.02449	22.8
119.05021	1.2
121.02956	33.0
122.03259	1.4
125.02446	4.2
127.00369	0.8
130.99878	2.4
131.07109	1.5
135.04523	2.5
143.03523	3.8
145.02998	1.0
155.07117	0.9
161.02440	2.2
161.04556	3.9
165.01929	3.0
179.03508	1.5
203.09216	1.4
233.10286	19.1
234.10736	1.1
237.07677	7.1
249.11301	0.9
291.08774	1.2
381.11890	49.9
382.12811	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	381.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01138	0.3
59.01381	3.5
60.21442	0.2
69.37113	0.2
71.01393	1.1
71.62001	0.3
73.02912	0.3
83.01413	0.3
85.02954	0.3
87.00883	1.2
89.02470	0.3
93.03456	1.3
95.01399	0.2
101.02406	1.1
105.03468	1.3
113.02454	0.4
121.02950	2.2
123.04526	1.4
127.08774	0.4
131.03487	0.3
132.02191	0.6
133.02969	3.2
134.03348	0.2
135.04547	0.4
145.03015	0.3
149.01311	0.3
149.02428	2.3
149.06113	0.6
154.06209	0.3
154.08763	0.4
161.04565	0.3
176.01123	1.3
177.01929	100.0
178.02266	5.7
181.08730	2.1
205.08525	0.3
227.10316	0.3
249.13406	0.7
277.67889	0.2
281.22641	0.2
288.72665	0.2
304.98499	0.2
318.53348	0.2
321.06085	0.4
343.14078	0.4
379.85822	0.3
381.08130	1.8
381.12527	0.4
381.17874	0.7
382.19812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74068	0.2
59.01382	4.3
69.46396	0.8
69.46803	0.4
71.01373	0.4
72.99329	0.2
77.03955	0.2
81.03473	0.4
87.00889	0.4
87.33518	0.2
89.03978	2.2
93.03481	0.3
95.05051	0.3
96.96017	0.2
101.02426	0.3
104.02667	0.4
105.03469	3.9
109.02921	0.3
113.02457	0.4
121.02959	0.3
123.04554	0.2
133.02962	8.9
134.03285	0.6
135.04538	0.3
137.17068	0.2
148.01653	0.6
149.01134	0.1
149.02386	1.0
149.06056	0.2
150.61356	0.2
161.02429	0.2
176.01123	1.4
177.01933	100.0
178.02272	6.5
193.05009	0.2
201.60869	0.2
219.02992	0.2
250.11052	0.2
253.45824	0.2
381.08261	5.1
381.12799	0.3
382.08948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06009	0.5
51.64717	0.5
59.01381	100.0
60.01718	2.3
65.41069	0.5
69.30074	2.4
69.30502	2.7
101.02457	1.1
119.29018	0.5
125.97643	0.5
246.77655	0.6
267.71716	0.5
294.93594	0.5
319.21344	1.2
343.24826	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1563
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
54.90865	0.5
58.00584	0.7
59.01103	1.0
59.01383	16.7
69.37714	2.8
69.38132	1.9
71.01386	33.9
71.05024	6.6
72.99303	0.9
73.02946	0.9
83.01395	1.0
85.02959	3.0
87.00871	0.8
88.04037	5.2
89.02448	7.7
89.68373	0.5
95.01366	1.0
99.00844	0.6
99.04514	1.9
101.02446	9.3
113.02439	4.3
115.49489	0.6
116.03503	1.3
116.07164	1.3
117.68092	0.6
119.03505	3.3
119.04219	0.7
126.48506	0.6
128.07164	1.9
146.08235	63.1
147.08569	2.0
161.04535	1.4
174.11324	0.7
200.09285	1.3
218.10316	0.7
222.80786	0.7
231.22086	0.6
234.42932	0.6
263.11166	0.8
290.67551	0.6
294.13229	0.6
308.13464	6.8
309.13812	0.9
331.16068	0.7
362.14493	2.3
380.15607	100.0
381.15942	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	380.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35596	0.3
59.01379	0.6
61.98833	100.0
71.61145	0.3
78.95914	1.3
88.60059	0.3
96.95981	0.4
99.00911	0.4
101.42004	0.4
119.56213	0.3
121.66012	0.4
152.99571	1.6
180.42122	0.4
217.27098	0.4
277.18137	0.7
295.19315	0.8
295.22797	0.8
380.20453	5.0
381.20917	1.0
381.30219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01727	2.0
68.09570	0.7
96.39638	1.0
96.57536	1.1
98.19826	2.0
150.41869	0.8
152.99579	3.8
173.88611	0.8
229.52191	1.2
255.64233	0.8
293.00204	0.8
302.83447	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0129
Annotation	Luteolin 4'-methyl ether 3'-sulfate
Peak:m/z	Relative Intensity
57.09555	0.3
59.01360	0.8
64.24089	0.3
64.73177	0.3
66.06786	0.3
69.56474	2.4
87.00843	0.4
87.41764	0.3
90.57327	0.3
108.02182	0.4
128.95073	0.3
137.14833	0.4
167.97220	0.3
183.04491	0.8
184.05286	0.5
187.04027	0.4
188.04765	1.0
200.04732	0.5
211.04004	2.1
212.04785	33.7
213.05154	3.7
214.02698	0.9
215.03342	0.4
227.03467	1.1
228.04274	1.0
230.34000	0.3
239.03488	0.7
240.04305	3.4
241.04602	0.4
255.02931	1.2
256.03772	8.6
257.04153	0.5
283.02411	0.4
284.03253	42.8
285.03644	4.7
299.05594	100.0
300.05948	12.3
379.01279	4.0
380.01849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1578
Annotation	DMH-1
Peak:m/z	Relative Intensity
59.01387	0.6
61.84192	0.4
61.98835	3.0
96.96000	0.9
99.92587	75.7
100.90478	1.3
100.92596	5.0
100.93346	1.8
103.24799	0.4
115.92080	37.7
116.92187	3.8
116.92860	100.0
117.92898	6.9
117.93636	0.7
131.91611	0.7
132.92432	0.6
181.16779	0.4
191.98204	0.5
200.81898	0.4
274.08414	0.4
279.23267	1.5
301.33322	0.4
317.15671	0.7
335.16891	1.2
336.17221	0.5
347.25674	0.9
367.15945	0.6
375.12540	2.3
376.12946	0.7
379.15833	54.0
379.28531	13.5
380.16006	12.1
380.20654	0.9
380.28885	2.0
381.95511	0.5
393.13846	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	379.1609
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.43444	1.2
51.00901	1.0
51.54443	1.0
51.94018	1.1
57.03445	1.7
58.00599	4.8
59.01381	95.7
63.88387	1.0
66.76116	1.2
69.53139	6.7
69.53556	2.5
71.01386	67.6
72.01705	1.7
72.99296	4.2
73.02944	16.7
79.51504	1.0
83.01436	2.4
85.02945	10.3
87.00876	5.0
89.02444	100.0
90.02742	1.3
95.01385	2.4
97.02921	1.3
99.00883	16.3
101.02448	43.5
113.02447	16.6
116.34375	1.3
119.03512	15.2
124.74355	1.3
125.02431	3.9
131.03514	23.7
135.04565	1.7
143.03487	3.8
149.04553	51.8
153.06650	1.4
157.08774	1.5
161.04585	5.7
169.34125	1.0
172.27579	1.2
179.05621	10.1
191.05611	15.2
233.06734	1.9
247.11908	6.1
251.07713	1.3
316.59113	1.1
331.43091	1.4
379.11401	2.4
379.16061	36.4
380.16367	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	378.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	17.8
61.98833	100.0
65.83523	5.8
68.65143	6.6
74.23711	6.0
87.00880	7.2
130.66170	6.4
133.02875	9.0
156.51338	5.9
158.82968	6.1
175.07520	6.4
177.01736	6.1
211.13358	9.3
243.02844	12.0
255.02963	24.7
271.02393	44.9
300.02704	83.5
301.02991	10.1
315.05121	93.5
316.05353	10.3
329.26895	7.3
342.46463	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	378.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43871	0.2
57.63824	0.2
61.03146	0.2
61.98830	100.0
69.28358	0.6
69.28780	1.6
70.51685	0.2
78.95920	0.9
83.39124	0.2
86.59833	0.2
94.89628	0.2
96.96017	1.0
152.99612	0.7
171.00655	0.7
293.21246	0.6
305.21484	0.5
332.57806	0.2
341.09656	0.3
378.18964	4.2
379.19351	0.2
379.21448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1422
Annotation	Go 6976
Peak:m/z	Relative Intensity
50.12944	0.4
55.93308	0.4
61.98820	1.1
64.86398	0.4
69.51090	0.3
70.02806	1.9
84.93890	0.7
96.96023	0.6
99.92584	83.6
100.90503	0.4
100.92596	5.1
100.93365	2.8
108.92778	0.4
110.56564	0.4
115.92078	40.9
116.92181	3.7
116.92857	100.0
117.92878	7.0
117.93633	0.8
132.92368	0.6
176.78296	0.4
190.21048	0.4
191.45059	0.4
282.05658	0.8
290.06018	1.0
299.05865	0.8
308.07123	2.0
308.92221	0.4
309.07715	0.4
315.14206	0.6
333.15311	1.2
359.13031	1.9
373.11127	3.7
374.11243	0.9
377.14252	44.2
378.14435	10.2
391.12143	4.3
392.12555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60029	1.0
59.01380	16.7
69.98401	4.9
95.05014	5.6
99.92588	2.2
103.81183	1.1
105.74053	1.0
113.09719	2.9
115.92081	1.5
120.15206	0.9
139.91225	0.9
179.14349	1.8
186.51831	1.2
195.13884	16.3
196.14174	3.0
239.29202	1.0
249.10948	1.5
277.19272	1.2
277.21793	15.0
278.11331	5.7
278.21744	1.5
280.24423	1.1
295.22778	100.0
296.23154	14.6
317.20966	47.4
318.21359	6.8
360.13931	1.6
361.19867	6.5
377.22806	6.2
378.15009	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	377.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87933	0.2
59.01379	3.6
64.85236	0.2
71.01370	1.1
73.02932	0.4
83.05034	0.5
85.02927	0.2
87.00896	0.3
89.02441	0.9
99.00874	0.3
101.02441	0.9
101.83102	0.2
105.52679	0.2
113.02439	0.3
117.24635	0.2
119.03508	0.3
123.10910	0.2
134.03751	1.3
135.04526	100.0
136.04857	6.0
141.35327	0.2
149.00957	0.3
149.05995	0.2
151.04015	1.1
155.07129	0.4
160.48799	0.2
171.10304	0.7
179.03494	6.5
180.03885	0.5
197.08214	0.3
197.86533	0.3
207.66008	0.2
215.09189	2.4
218.93120	0.2
297.09793	5.5
298.10178	0.7
317.05820	0.3
341.08759	15.9
342.09091	2.0
377.06186	2.2
377.14487	0.9
399.14395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52567	0.1
52.86470	0.1
52.99944	0.1
57.03448	5.6
58.00579	0.4
58.02966	0.3
58.03777	0.2
59.01382	1.0
69.03447	0.5
71.01387	0.3
71.05009	0.4
73.02940	0.4
74.02472	1.6
80.73705	0.1
83.05022	0.2
85.02965	0.3
85.06588	2.1
87.00881	0.2
87.04509	0.5
93.63882	0.1
94.68011	0.1
97.06602	1.5
99.00819	0.2
99.08160	1.2
103.63601	0.1
109.06590	0.4
111.08149	0.4
113.09727	0.6
116.05061	0.4
119.05022	0.2
123.08170	2.6
125.09711	0.3
129.10350	2.2
130.12932	0.1
135.04495	0.3
135.08130	0.4
138.06851	0.2
138.96620	0.1
139.11281	0.7
141.09215	1.1
141.12830	0.6
143.10773	2.0
149.00861	0.2
151.11295	0.3
153.09198	0.5
153.12810	0.3
155.10802	0.3
157.12352	1.3
160.07672	0.3
165.12846	0.4
166.35616	0.1
167.14421	0.4
169.12346	0.9
171.11429	0.8
171.13814	0.2
179.03450	0.2
183.13940	1.1
185.11806	1.4
211.72267	0.1
215.12917	1.0
221.09306	0.2
227.12880	0.9
227.16522	0.4
229.18065	0.6
242.11841	1.0
250.09451	0.1
251.20044	0.3
253.21693	0.2
277.21899	0.2
295.22803	0.4
301.15628	0.3
311.22369	0.3
313.23831	0.3
327.21603	0.4
327.25372	0.4
329.23322	2.0
329.27026	1.4
330.23563	0.2
330.27109	0.3
332.19568	0.3
339.25430	0.4
350.82813	0.1
355.24835	0.3
357.26453	2.6
358.26782	0.4
373.25974	1.8
374.26160	0.3
375.27493	100.0
376.18936	2.6
376.27826	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	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76773	1.8
59.01380	41.0
67.05758	1.6
71.61417	3.3
74.72063	1.7
95.05004	5.3
121.10229	30.2
125.09716	2.1
127.11287	2.1
159.01474	1.8
171.10274	64.5
172.10597	4.8
205.95027	2.0
207.10043	2.9
227.01198	2.0
231.21230	3.8
256.17487	1.8
275.20148	100.0
276.20459	12.3
278.11325	12.4
293.21222	79.9
294.21542	10.6
297.18222	2.1
303.23584	2.7
313.17874	2.3
315.19391	42.6
316.19608	3.4
359.18417	7.0
375.21387	33.2
376.21335	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	375.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23964	0.1
51.97816	0.1
56.43530	0.1
57.03445	2.0
58.00597	0.3
59.01384	0.9
60.84376	0.1
65.73409	0.1
69.03450	0.4
70.32402	0.4
71.01400	0.3
71.05015	0.2
72.99325	0.1
73.02946	0.5
73.56552	0.1
83.05048	0.2
85.02953	0.3
87.00877	0.3
87.04514	0.9
89.13302	0.1
89.45781	0.1
93.89460	0.1
97.06587	0.6
98.20489	0.2
99.08134	0.4
109.06590	0.7
111.08141	0.2
112.98779	0.2
113.09733	0.4
119.05014	0.3
123.08158	1.4
125.09720	0.3
127.11306	0.3
135.04495	0.5
135.08133	0.4
137.09726	0.3
138.06845	0.3
139.11276	0.8
141.09227	0.3
141.12842	0.6
143.10751	0.3
149.00882	0.2
151.11250	0.1
153.09190	0.6
155.10753	0.4
157.12315	1.8
161.02403	0.2
162.91740	0.2
163.03964	0.2
169.12329	1.3
171.10291	0.4
171.13863	0.2
179.03482	0.3
183.13843	0.2
185.11832	2.4
186.12274	0.1
187.13463	0.2
201.11273	0.3
213.11351	0.2
214.12206	0.2
215.12910	1.4
243.12245	0.2
251.20160	0.3
287.22217	0.2
293.21036	0.3
309.24054	0.2
311.22443	0.6
315.05930	0.2
325.23685	0.2
327.21594	0.4
327.25388	0.7
329.23251	2.5
330.23709	0.4
339.25363	0.6
355.24768	0.4
357.26443	4.0
358.26837	0.6
373.25986	2.9
374.26367	0.4
375.27475	100.0
376.27814	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	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.6
57.03440	4.7
58.00586	2.9
58.54338	2.0
59.01089	3.8
59.01381	67.8
71.01382	43.3
73.02952	10.1
83.01382	9.2
85.02957	15.3
87.00887	6.2
89.02439	32.6
95.01388	2.2
99.00899	5.9
101.02451	37.6
110.52670	2.1
113.02441	15.3
119.03501	16.5
131.03430	2.4
146.04539	3.7
149.02386	2.3
161.04527	4.0
177.09200	8.6
179.03476	3.0
179.05658	4.1
212.08340	4.2
240.09560	1.9
241.07329	2.7
255.08833	15.6
357.15521	25.2
358.16101	3.5
375.16620	100.0
376.16931	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	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41074	0.6
60.97517	0.9
61.44778	0.9
69.55304	3.5
69.55714	1.8
73.67233	0.8
74.99059	2.5
85.42664	0.7
90.42786	0.7
93.00122	1.1
97.70191	0.7
98.20631	1.4
119.75861	0.7
120.97558	0.6
130.51566	0.6
132.27969	0.7
149.00928	0.8
159.08482	11.9
161.06392	2.7
209.01277	2.4
219.59081	0.8
222.00726	0.7
275.06018	1.0
277.07559	2.0
289.07486	1.4
291.09106	98.5
292.09256	15.6
309.10110	1.3
339.24490	0.7
343.12057	0.9
353.53375	0.7
353.57928	0.8
357.13806	2.3
359.15363	100.0
360.15482	22.4
368.09946	0.9
375.18506	7.1
376.18616	1.2
377.16507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75719	0.6
63.17944	0.7
69.75725	1.8
69.76141	3.0
74.99097	2.6
79.86450	0.8
96.05338	0.7
98.20594	0.8
143.05275	0.8
159.08485	10.3
161.06393	2.0
192.98051	1.3
193.98154	0.8
209.01263	2.5
217.07246	2.1
250.08080	0.8
253.29797	0.7
267.82425	0.8
275.06024	1.3
277.07553	1.9
289.07336	1.1
291.09116	98.0
292.09186	15.6
295.89529	0.8
309.10257	1.4
357.13651	1.8
359.15356	100.0
360.15536	17.4
375.18549	6.9
376.18500	1.8
377.16180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03448	1.2
58.00592	2.4
59.01381	46.9
60.01714	0.7
68.75869	0.3
71.01383	24.9
72.01720	0.6
72.99318	2.2
73.02948	1.7
73.10925	0.3
75.00886	1.3
83.01403	1.7
85.02953	6.0
87.00890	0.8
89.02447	21.0
89.68291	0.3
90.02798	0.4
95.01384	2.4
99.00845	0.4
101.02446	14.9
101.60690	0.4
102.02826	0.6
109.34939	0.4
112.15865	0.4
113.02457	8.2
117.52677	0.4
119.03499	7.1
120.02288	0.3
131.03496	0.4
143.03510	0.4
149.04581	0.6
165.04033	1.2
183.13855	2.8
195.13899	11.1
196.14302	0.7
213.14944	4.4
227.12843	2.3
238.17299	0.4
270.32269	0.4
357.19040	0.7
375.20239	100.0
375.26987	4.6
376.20587	13.2
376.27948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02603	0.8
55.01875	2.5
57.03449	2.0
57.67797	0.8
59.01386	6.6
64.40992	0.8
69.38633	4.1
69.39058	2.0
71.01383	5.1
72.99303	0.9
73.02937	1.3
75.00880	4.8
85.02956	1.3
85.06600	0.8
87.00888	3.6
89.02473	1.0
96.47183	0.8
99.00887	2.2
101.02451	2.6
103.00376	0.8
105.01959	1.6
111.08145	1.6
112.98817	0.7
121.98369	0.7
129.01988	1.5
135.04517	2.0
147.03015	4.8
149.00906	1.1
165.04041	15.4
165.12846	28.1
166.13225	2.8
183.13899	100.0
184.14246	7.7
195.13786	1.8
209.11844	2.4
213.14955	23.0
213.17023	1.4
214.15308	2.6
227.12892	90.2
228.13245	7.9
282.48306	0.8
285.20636	1.4
329.23279	2.1
357.26431	2.1
362.07077	0.7
375.16656	18.1
375.27496	45.3
376.17050	2.2
376.27762	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	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18921	3.9
58.00590	7.6
59.01385	100.0
61.98827	11.3
66.40624	3.9
69.57260	24.7
71.01389	64.2
72.99306	10.0
78.43182	4.9
80.81291	4.0
85.02964	11.5
87.00883	16.8
89.02454	87.7
92.34717	4.2
95.01382	4.6
101.02422	33.3
113.02453	29.4
117.03452	13.8
119.03508	35.2
119.04919	4.3
121.03024	5.0
123.04529	5.8
131.03555	5.0
133.02882	6.2
134.03706	4.4
137.02438	6.7
140.38593	4.4
145.02962	44.5
146.03696	11.0
147.04524	12.6
149.01003	6.4
149.02411	36.6
149.04410	5.5
150.03236	49.1
151.03719	4.2
161.02461	61.1
161.04495	11.6
162.03255	50.5
163.03778	4.4
164.04767	12.5
165.05566	78.8
166.05850	5.9
177.05554	30.7
179.05589	14.1
180.04289	23.4
187.82738	4.0
190.18561	3.9
191.15395	3.9
195.06590	35.6
357.11816	6.3
368.25818	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	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	2.7
59.01375	4.9
60.72788	0.8
61.98827	9.0
69.85007	4.1
71.01381	4.3
71.11525	0.8
72.99294	1.7
73.02920	0.8
85.02914	0.9
87.00889	4.6
89.02481	1.8
95.05003	0.7
97.58265	0.7
99.00883	1.2
101.02454	2.9
113.02464	2.8
117.03473	0.9
119.05039	0.8
121.02961	3.7
122.03772	1.2
123.04526	1.4
125.02444	0.8
133.02971	0.8
135.04477	1.0
136.04027	1.9
137.02428	2.9
145.02977	3.0
147.04471	1.0
149.02449	38.9
150.03233	47.8
151.03654	2.5
153.01953	1.8
153.05681	0.8
161.02449	3.2
161.04550	4.6
162.03233	3.9
163.03972	1.6
164.04811	17.7
165.05569	100.0
166.05939	6.0
177.05582	2.5
180.04305	9.9
195.03004	0.9
195.04803	1.3
195.06613	26.0
196.06960	2.0
213.07724	2.7
222.07317	0.7
266.33969	0.7
286.80481	0.7
295.26834	0.7
327.10959	4.5
343.92044	0.7
375.08768	1.2
375.13013	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55157	3.1
61.98833	23.6
65.85589	3.2
71.62200	5.1
96.99313	3.6
139.31966	3.5
232.10992	9.4
279.86353	3.4
374.24506	100.0
375.24924	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	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.6
61.65498	5.2
61.98830	43.4
70.07426	20.1
89.74827	4.8
98.20055	7.7
122.91143	4.9
136.40179	4.9
199.86163	5.3
217.27547	4.8
232.10938	12.3
254.99167	6.0
267.22430	5.9
374.20001	9.0
374.24405	100.0
375.24869	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	374.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36034	0.2
59.01368	0.4
60.35485	0.2
61.98820	0.5
62.58493	0.2
65.36806	0.2
70.81520	0.5
93.41736	0.2
96.95972	0.2
101.06086	1.1
124.07676	0.7
152.34955	0.3
165.10393	0.4
189.10429	0.4
205.12134	0.3
232.10904	9.1
233.11259	0.9
261.39294	0.2
272.17508	0.3
289.17902	1.5
290.18774	2.8
316.16629	1.8
318.18112	0.6
358.21338	1.1
374.24475	100.0
375.24799	15.8
375.29745	0.4
398.81204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.6
58.00592	6.4
59.01383	100.0
61.98827	10.5
69.56944	15.7
69.57362	6.0
71.01389	75.8
72.99313	7.4
75.00848	3.4
78.95903	3.5
83.01395	3.6
85.02459	2.7
85.02959	13.8
87.00862	15.7
89.02449	89.3
97.02911	3.5
98.19934	5.6
101.02454	42.1
108.02174	5.0
113.02467	30.8
117.03488	14.2
119.03506	40.3
119.04951	4.2
121.02991	5.8
123.04543	9.3
131.03482	4.5
133.02988	3.6
135.04474	7.4
143.03505	4.8
145.02965	65.3
146.03676	13.5
147.04536	19.4
149.00957	4.8
149.02475	3.6
149.04562	3.8
150.03210	10.5
161.02441	59.4
161.04514	4.8
162.03232	80.5
163.03922	5.3
165.05562	15.8
172.09590	3.3
177.05547	44.4
179.05573	11.6
180.04279	13.6
195.06607	28.9
217.00224	7.1
339.13074	6.1
340.91028	3.2
352.13080	3.2
357.11960	12.7
375.10406	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	374.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95335	1.2
57.22373	1.1
58.02961	4.8
58.71691	1.1
59.01374	2.9
59.18016	1.1
61.98831	1.1
67.12521	1.2
69.03453	1.3
71.62470	1.6
72.00919	9.2
74.64430	1.2
78.74671	1.2
86.93760	1.1
91.05550	4.2
111.08201	1.6
116.05136	1.8
118.06622	3.8
135.04500	5.4
146.71741	1.2
147.04543	45.4
148.04860	2.5
149.00894	1.4
162.32333	1.5
164.07170	86.8
165.07542	6.0
165.12813	2.4
176.20990	1.2
182.15503	5.1
194.15509	2.6
217.66225	1.3
220.13506	2.7
242.97348	1.2
268.20770	9.7
286.21890	1.5
312.19733	38.6
313.20026	4.8
330.20712	8.4
356.18643	26.1
357.19022	4.5
374.19730	100.0
375.20132	16.3
375.27490	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	374.1973
Annotation	DHEA-7-CMO
Peak:m/z	Relative Intensity
54.95335	1.2
57.22373	1.1
58.02961	4.8
58.71691	1.1
59.01374	2.9
59.18016	1.1
61.98831	1.1
67.12521	1.2
69.03453	1.3
71.62470	1.6
72.00919	9.2
74.64430	1.2
78.74671	1.2
86.93760	1.1
91.05550	4.2
111.08201	1.6
116.05136	1.8
118.06622	3.8
135.04500	5.4
146.71741	1.2
147.04543	45.4
148.04860	2.5
149.00894	1.4
162.32333	1.5
164.07170	86.8
165.07542	6.0
165.12813	2.4
176.20990	1.2
182.15503	5.1
194.15509	2.6
217.66225	1.3
220.13506	2.7
242.97348	1.2
268.20770	9.7
286.21890	1.5
312.19733	38.6
313.20026	4.8
330.20712	8.4
356.18643	26.1
357.19022	4.5
374.19730	100.0
375.20132	16.3
375.27490	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	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84181	40.2
59.01395	94.7
61.98826	100.0
63.42348	36.8
71.61984	71.2
72.82529	47.0
81.83424	41.6
89.66179	34.9
111.15633	37.9
124.92429	50.8
142.11317	38.0
152.07018	36.6
152.49684	43.6
177.91240	36.4
294.13199	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52323	0.4
53.52853	0.4
57.03450	19.1
58.03772	0.5
59.01376	2.7
61.13134	0.5
68.13409	0.4
69.03452	1.6
71.01383	1.0
71.05022	1.0
78.91193	0.4
83.05037	0.5
85.06596	8.4
88.19493	0.3
95.05025	1.4
97.06599	7.4
99.08148	3.1
111.08134	0.7
113.02473	0.6
113.09731	1.6
122.06953	0.4
123.08173	8.2
125.09727	1.3
127.07615	0.5
135.04466	0.7
141.09201	2.8
143.10791	5.7
151.11284	1.2
153.01958	1.0
153.12842	1.8
167.14433	1.2
169.12335	0.5
171.13940	0.8
209.12102	0.4
211.16997	0.8
227.16434	1.0
229.18069	3.1
243.16142	0.5
253.21692	1.0
257.17590	2.4
295.22864	1.5
313.23837	1.3
329.26923	5.4
330.27359	0.8
343.24854	1.3
355.24994	0.6
373.25931	100.0
374.26273	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	374.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17374	0.4
56.76603	0.4
59.01377	1.3
61.98830	100.0
63.99267	0.6
70.99251	0.7
71.01384	0.4
87.00887	0.4
94.65926	0.3
121.03011	0.5
135.04552	1.2
149.00900	1.0
149.06128	0.5
150.05652	0.5
153.01976	1.8
154.02338	1.2
161.06053	0.5
163.04083	0.5
168.04218	0.6
171.04523	0.5
189.05574	5.5
190.06041	0.5
311.07864	1.1
325.26324	0.4
390.71494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.202
Annotation	Nasimalun B
Peak:m/z	Relative Intensity
58.00603	7.0
59.01385	24.8
61.98830	3.1
62.06150	1.3
63.23952	1.3
69.03462	2.0
71.10753	3.0
72.99301	3.4
73.02944	2.7
81.03467	1.5
83.05013	3.1
85.02905	1.7
86.00088	5.2
97.02949	27.5
109.02959	17.2
110.03828	1.9
111.04519	4.6
128.53944	1.3
134.03714	2.5
135.04489	2.1
136.71216	1.5
217.16046	1.4
221.08211	3.5
235.17085	4.2
269.15463	1.6
285.18561	11.0
287.20044	5.9
299.19986	3.5
301.21759	1.7
311.20120	1.6
313.18082	49.1
314.18384	5.8
315.19882	2.0
317.17920	1.5
317.21100	8.2
329.21286	3.0
343.19092	3.2
345.20697	100.0
346.21021	17.5
355.19064	2.3
362.23975	1.4
373.20108	50.4
373.25745	11.8
374.20618	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	373.2594
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03450	22.1
58.03785	0.4
59.01369	1.2
69.03468	1.3
69.38400	3.6
69.38803	1.0
71.01377	1.2
71.05025	0.6
76.89434	0.5
82.37263	0.4
83.01417	0.6
85.02942	0.9
85.06594	10.3
95.05040	0.8
97.06599	4.7
98.20616	1.1
99.08176	3.6
105.61395	0.4
111.08198	0.5
113.02412	0.5
113.09708	3.3
123.08176	7.3
124.08444	0.7
125.09721	0.5
141.09215	3.1
141.12827	1.2
143.10782	8.9
147.06529	0.4
151.11284	0.9
153.12852	1.9
167.14421	1.5
171.13898	1.5
185.15460	0.5
227.16548	1.3
229.18073	2.0
253.21677	1.3
277.21588	0.6
285.04037	3.0
285.24341	0.5
295.22726	1.9
313.23883	1.5
329.26968	7.0
330.27274	1.0
343.24710	0.6
373.25946	100.0
374.26276	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	373.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	14.0
59.01392	2.3
69.03439	0.6
69.41782	1.9
69.42194	0.8
71.01360	0.4
71.05013	1.2
74.42501	0.3
81.07095	0.5
83.05010	0.7
85.02942	0.4
85.06586	4.0
95.04987	0.3
96.95948	0.3
97.06591	3.9
98.20646	0.5
99.08160	1.9
111.08226	0.9
113.09721	0.7
123.08161	3.3
125.09723	1.5
127.11301	0.6
129.09227	0.4
137.09721	0.5
139.11292	0.4
141.09268	1.5
141.12798	0.4
143.10774	6.0
151.11298	0.6
153.01926	0.5
153.12888	1.2
155.14510	0.5
169.12347	0.8
179.03394	0.4
183.13895	0.5
185.15483	0.7
195.13974	0.5
197.15492	1.5
199.17047	0.6
225.18675	0.4
229.18080	2.0
245.17554	0.7
253.18089	0.4
253.21693	0.7
257.17535	0.8
281.24908	0.4
283.22748	0.4
295.22812	1.0
296.23257	0.4
303.77515	0.4
313.23846	0.9
327.25333	0.5
329.26981	4.0
330.27216	0.4
343.24881	4.3
344.25220	0.7
355.24902	0.8
373.25934	100.0
374.26273	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	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.9
61.98508	0.8
61.98826	8.9
70.17287	0.4
71.01376	1.3
71.11063	0.5
71.29928	0.8
72.99313	1.4
73.56126	0.4
84.67960	0.4
85.02940	2.0
87.00871	0.5
93.03463	0.5
101.02470	0.5
109.02992	0.6
110.00096	7.9
111.00913	0.7
113.02449	2.0
121.02943	0.5
122.03769	0.6
123.04564	0.7
124.01680	0.9
125.02443	5.9
129.74117	0.4
134.03731	1.6
135.04547	1.0
136.01654	0.5
137.02423	0.9
137.99591	9.0
139.00391	6.0
140.01118	0.6
149.02478	0.5
149.06094	0.7
151.00383	0.6
151.04048	2.1
152.01147	2.7
153.01933	100.0
154.02682	8.4
155.03432	1.3
161.04657	0.5
166.02692	1.1
167.03496	6.7
168.04276	44.7
169.01440	0.6
169.05057	20.6
170.05400	1.2
178.02730	0.5
179.03552	1.2
181.05130	0.7
190.43170	0.4
191.03511	0.6
193.05072	2.2
195.06470	0.4
201.14047	0.4
209.04375	1.0
211.06117	1.5
223.06075	0.7
241.07205	3.2
269.96561	0.4
271.10971	0.5
281.06775	0.7
313.09009	0.5
330.13361	0.7
373.11298	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	373.1689
Annotation	Hydroxyzine
Peak:m/z	Relative Intensity
52.18565	0.4
59.01386	2.5
61.44980	0.5
61.98820	0.5
63.96243	45.2
64.97023	0.9
69.36024	1.0
69.36439	3.3
71.88386	0.4
72.99261	0.5
75.33941	0.5
79.95741	100.0
80.96517	8.4
87.00880	1.0
93.97298	0.5
96.96012	7.6
98.20621	0.9
103.00393	1.1
119.98888	1.0
121.37254	0.4
126.99601	0.9
132.99677	4.7
134.03706	0.9
135.04544	1.3
136.01704	1.1
147.04582	0.5
149.00891	0.5
153.01849	0.6
156.99704	0.4
163.04016	0.5
171.10295	0.6
173.06348	0.6
177.12822	0.6
181.12308	0.6
183.13899	28.0
184.14218	1.9
189.05890	2.5
195.13972	2.5
197.11832	1.0
221.11856	0.8
223.13417	1.9
231.10480	0.6
237.23947	0.5
245.08546	4.1
247.10097	2.6
256.13245	0.4
263.09567	6.4
264.09827	0.8
275.20193	1.6
276.20148	0.5
291.19629	3.8
293.21243	25.3
294.21545	3.9
355.15826	5.5
356.16168	0.8
373.16870	37.2
373.25677	3.9
374.05887	0.6
374.17245	4.7
374.26025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	12.4
61.98836	100.0
68.87337	11.2
71.22376	14.5
75.00878	21.9
77.14915	9.6
111.08157	13.3
187.85344	11.1
340.97476	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	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
61.98835	4.7
65.01115	0.4
70.92053	0.8
70.92423	1.0
71.01376	1.2
72.99320	0.7
76.96571	0.5
83.01413	0.6
84.64326	0.4
85.02975	1.3
87.00880	0.8
101.02421	0.7
110.00092	8.1
111.00915	1.0
113.02489	2.3
123.00833	0.5
124.01678	0.5
125.02461	5.9
134.03725	0.6
135.04500	0.7
136.01698	0.5
137.02428	1.1
137.99603	10.6
139.00383	6.9
140.01186	0.8
149.02505	0.8
151.04012	2.3
152.01129	2.4
153.01941	100.0
154.02673	8.5
155.03471	1.3
155.85776	0.5
164.04720	0.6
166.02745	0.8
167.03519	6.5
168.04285	46.8
169.05057	21.8
170.05406	1.2
179.03542	1.1
181.05011	0.5
193.05118	1.3
195.06610	0.9
196.03726	0.4
209.04564	1.0
211.06062	1.2
222.07455	0.5
223.06200	0.4
241.07144	2.3
342.09299	0.6
373.11255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.0
59.01378	100.0
60.01721	1.3
60.67527	1.0
69.74252	2.6
69.74664	3.0
71.01355	1.5
71.05000	1.2
72.99297	2.5
81.15624	1.0
87.00873	33.5
99.04492	1.5
102.28098	0.9
103.00381	11.6
108.59234	0.9
112.98798	1.4
119.08667	2.2
123.04530	1.2
130.99852	6.0
132.04549	1.1
135.04539	8.1
137.09717	5.2
149.00917	14.0
153.01941	6.4
163.07628	1.1
163.52100	0.9
168.04291	2.8
169.04829	1.0
179.03470	5.4
179.10750	2.6
181.08717	10.8
183.43626	0.9
197.11823	69.8
198.12190	5.7
214.01759	0.9
241.10805	87.8
242.11130	6.1
267.07761	1.2
281.09238	3.8
284.55020	1.4
293.09372	1.1
294.09952	0.9
295.07037	1.1
296.07938	2.9
311.10312	7.3
373.11453	6.9
373.18240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78368	0.2
59.01376	0.4
60.35555	0.3
60.80565	0.3
61.67122	0.3
61.98835	2.4
69.92410	1.2
71.01389	0.3
72.49028	0.3
75.00882	0.9
79.67944	0.2
83.59062	0.3
86.02485	8.6
88.04050	2.1
89.02421	0.3
91.05556	1.0
103.25224	0.3
107.05038	3.8
108.02113	0.3
109.02966	6.4
111.74358	0.3
121.02966	0.8
122.03755	9.4
123.04540	12.4
124.01697	0.6
124.04922	0.4
128.03584	0.9
134.03738	2.1
135.04533	54.1
136.04858	2.8
137.02446	1.1
139.03979	0.3
146.97685	0.3
148.07693	2.1
150.05630	0.9
153.01958	0.6
154.02776	1.6
160.58665	0.3
164.07205	0.9
166.08769	0.5
166.15268	0.3
179.00198	0.4
179.03505	37.6
180.03864	2.5
210.07722	100.0
211.08063	6.3
220.47791	0.3
372.13000	20.0
373.13446	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	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93826	23.7
56.28991	22.2
58.19166	28.7
61.98822	81.3
66.91965	23.6
70.04166	100.0
72.27724	23.2
78.81151	22.7
110.22217	21.5
114.91290	22.4
148.15691	20.7
216.69946	25.1
303.12607	23.8
311.97803	26.6
390.60385	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20766	61.5
57.31220	62.7
57.92005	62.7
59.01371	75.5
70.72514	57.9
71.61587	79.4
76.40731	58.3
128.38023	64.0
166.15271	67.6
179.03502	78.4
226.21393	74.8
373.27234	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35557	23.2
53.84251	20.8
59.01388	44.7
61.08962	29.0
61.98832	100.0
66.03126	23.4
90.76466	24.6
95.27371	23.4
95.76740	24.7
116.13058	23.2
179.03534	31.9
373.26068	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13298	30.8
59.01404	37.5
61.98814	69.1
69.27726	29.7
70.58682	100.0
85.37532	27.1
98.19920	36.9
141.05391	30.3
193.30731	31.4
234.21445	30.4
352.62863	29.9
356.12042	30.3
382.82950	32.2
392.32935	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.4
59.98507	1.3
62.21421	0.7
66.87476	0.7
67.12748	0.7
69.49192	4.8
71.01392	4.3
71.04996	0.8
73.02939	3.6
75.00874	1.4
78.40234	0.7
83.01382	1.2
85.02966	1.1
86.82531	0.9
96.96004	2.5
99.04510	1.8
101.02444	2.2
109.02941	1.2
113.02450	1.6
115.83690	0.9
122.03780	0.8
123.04498	0.8
150.03207	1.6
151.11316	0.8
165.05591	0.9
167.10771	100.0
168.11098	8.2
172.44284	0.9
181.12332	1.3
187.71474	0.8
191.10777	3.1
205.08682	1.0
209.11813	1.6
219.10091	1.1
221.11783	2.0
222.12415	0.7
239.12918	1.6
337.17606	1.1
371.14008	4.3
371.24466	0.8
384.70712	0.9
387.23599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1499
Annotation	5-O-Methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
59.01369	3.6
69.59021	1.0
69.77893	5.2
78.26956	0.8
79.05535	2.1
80.64371	0.9
83.05066	1.0
84.07413	0.9
105.07107	6.4
107.05051	1.8
109.02984	1.5
121.02959	3.3
122.03706	1.9
123.00877	2.4
123.04521	21.8
124.01654	4.3
124.04893	1.2
129.07579	0.9
133.02954	1.4
134.03766	4.3
135.04527	29.0
136.01666	2.1
137.02449	2.7
138.03281	2.2
139.04015	2.7
147.04529	5.5
148.05269	2.4
149.02454	6.2
149.06078	46.9
150.03226	60.4
150.06415	3.1
151.03671	1.5
159.04480	1.1
161.06099	3.9
162.03209	2.2
163.04019	5.9
165.05565	23.0
175.07666	3.1
183.87759	0.9
187.07607	1.6
193.08702	16.6
194.09048	1.1
201.05614	1.0
201.09221	6.2
205.08717	8.6
211.07625	1.0
211.33945	1.1
214.06352	1.3
219.10254	56.4
220.10631	4.1
227.07130	1.2
267.06708	1.0
269.04572	1.3
269.07962	1.0
270.05429	1.3
271.06161	2.8
285.07715	4.7
286.08456	9.9
301.10846	11.4
302.11234	1.2
309.14929	1.0
343.15909	1.0
353.13684	2.3
354.13983	1.3
371.14987	100.0
371.24075	10.2
372.15244	15.7
372.24670	1.4
386.40646	1.1
390.99182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1497
Annotation	5-O-Methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
50.78411	1.1
51.15479	1.2
53.44731	1.3
59.01383	5.8
61.98821	1.3
71.21313	1.3
71.62482	1.8
76.03304	1.1
79.05540	1.7
85.11295	1.1
87.00862	1.8
93.03429	1.5
100.00414	1.8
105.07086	5.2
107.05005	1.5
108.02136	1.8
109.02946	2.1
121.02927	4.0
122.03739	1.5
123.00864	1.6
123.04532	15.4
124.01638	3.2
125.02429	1.3
131.21399	1.1
134.03705	3.8
135.04523	24.1
136.01675	2.1
136.04857	1.4
136.07669	6.6
137.02454	3.3
138.03171	2.4
139.04010	2.1
145.03004	1.1
147.04517	8.1
148.05284	3.1
149.02489	6.0
149.06079	40.1
150.03226	49.6
150.06412	2.5
151.03616	2.5
161.06058	1.3
163.03995	6.1
165.05591	21.7
175.07590	1.9
180.04239	1.0
190.05164	1.5
193.08672	13.8
200.04593	2.0
201.05595	1.3
201.09203	2.9
205.08665	7.2
215.07132	1.5
219.10248	50.3
220.10625	4.8
242.34302	1.2
253.80032	1.3
270.05188	1.4
271.06100	3.4
285.07687	5.6
286.08417	7.7
301.10858	8.1
343.56219	1.4
353.13409	1.2
356.12604	1.7
371.14987	100.0
371.24402	5.9
372.15201	12.5
372.19266	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89003	1.0
59.01381	100.0
60.01727	1.1
69.03472	0.9
71.01383	9.1
71.05022	2.0
71.21577	2.6
71.37162	0.9
72.89389	0.9
72.99298	1.5
73.02930	2.5
77.75697	0.9
83.01380	1.6
85.02949	5.9
87.00896	3.1
88.04051	2.1
95.01350	1.9
99.00900	1.6
101.02428	3.3
113.02451	9.4
114.02814	0.8
121.02940	1.5
123.04521	2.5
130.08755	2.3
132.03035	5.8
134.03758	1.1
135.04510	4.1
137.09694	1.6
139.07643	1.6
149.00963	1.2
149.06087	1.8
150.03209	2.4
151.11349	1.3
153.09239	1.9
155.10759	6.5
161.04549	1.6
166.05109	1.8
167.03467	9.3
179.03488	2.8
189.04306	1.5
192.04224	0.9
209.08098	1.4
209.15439	1.7
210.07683	4.0
227.16530	15.2
228.16823	1.6
239.09308	2.2
296.03696	1.1
306.84280	1.0
313.97397	0.9
371.13068	1.4
371.20755	3.6
372.13312	1.4
372.17545	1.8
372.21872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03438	2.7
57.16599	0.8
58.00582	2.3
59.01380	100.0
60.01711	1.3
60.29885	0.8
70.21977	3.9
70.72732	0.8
71.01382	45.8
72.01731	0.9
72.99304	2.9
73.02533	2.0
73.02948	38.5
75.00871	3.1
81.03471	1.0
82.73125	0.8
83.01399	10.3
85.02954	12.9
87.00882	3.9
88.04003	0.9
89.02440	23.7
90.02795	1.2
95.01381	3.6
95.36460	0.8
96.14087	1.1
96.14697	1.1
97.02979	1.1
98.20537	1.2
98.35302	1.0
99.00882	3.1
101.02441	33.3
103.00365	1.5
108.02182	1.0
113.02448	26.1
119.03497	7.5
121.02962	1.1
123.04522	11.3
125.02415	2.5
131.03481	2.5
134.03741	25.8
135.04488	1.0
137.02435	1.2
143.03525	1.9
149.00851	0.9
149.02496	1.1
149.06071	29.0
150.06465	1.1
152.04781	1.1
161.04552	3.7
166.02556	0.9
167.03502	15.2
167.07123	9.5
177.04036	2.0
179.03491	1.6
179.05612	1.4
193.05040	1.9
195.05083	2.0
207.23308	1.0
209.08163	2.3
225.05614	0.8
284.16168	1.5
311.11374	10.0
312.11810	1.2
329.12366	3.3
371.09491	2.0
372.18066	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01382	5.6
60.01696	0.2
65.00327	0.8
69.44904	1.6
69.45320	0.4
71.01379	0.5
73.02952	0.3
81.03463	5.0
83.01394	3.8
85.02956	0.4
87.00889	0.4
88.01751	0.2
88.96107	0.2
93.03412	0.4
95.01422	0.3
95.05025	0.9
97.05482	0.2
107.01432	0.6
108.02190	0.4
113.02483	0.3
119.05009	0.3
121.02972	0.4
122.03716	0.3
123.04531	32.9
124.04837	1.2
125.02450	5.4
125.03307	0.5
135.04539	0.8
139.04016	0.3
147.04628	0.2
149.01196	0.2
149.02448	1.3
149.06100	0.7
151.00354	2.0
163.03986	0.4
167.03500	100.0
168.03839	5.7
179.03462	0.4
191.03477	0.8
204.24127	0.2
209.04597	1.4
210.07758	0.6
235.38484	0.3
257.28482	0.3
371.09494	0.4
371.13397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60724	0.6
57.03438	3.6
57.42253	0.6
59.01380	12.2
66.70135	0.6
67.69238	0.7
68.99823	1.2
69.03452	0.7
69.63403	2.2
69.63806	1.6
70.03864	0.6
71.01384	11.6
72.99318	3.5
73.02970	1.3
74.02479	2.1
75.00871	9.3
81.03458	5.4
82.02943	0.7
83.01381	3.3
85.02955	11.7
87.00880	3.9
89.02457	3.4
93.03442	0.9
95.01382	3.2
95.05028	0.8
97.03021	0.6
98.19872	1.3
99.00876	4.9
101.02451	1.1
103.00363	1.6
108.02185	1.2
109.02906	1.1
112.70743	0.6
113.02458	12.4
115.00395	1.2
117.01933	1.6
117.18849	0.6
121.02960	50.7
122.03313	2.3
123.04531	33.1
124.04869	1.7
125.02454	7.2
128.03557	1.6
129.01936	0.8
130.08739	2.1
134.03769	0.7
135.04524	0.8
141.06721	1.3
149.02390	0.9
149.06125	0.8
151.00365	1.8
163.04042	1.1
166.05032	1.7
167.03502	100.0
168.03856	5.0
175.02493	1.4
179.03516	0.6
189.04332	1.2
191.03596	0.9
209.04459	1.3
210.04082	1.3
226.42140	0.7
231.05118	3.8
239.09367	0.8
249.06143	33.6
250.06314	1.3
309.12265	0.7
311.10440	0.9
353.08664	0.7
371.09781	22.5
371.16519	2.2
371.23462	1.5
372.10046	2.4
372.20975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94537	0.5
57.03442	0.8
59.01377	5.8
71.01368	1.3
75.00883	0.6
83.05025	0.6
88.39366	0.5
89.02443	2.3
91.04012	10.7
96.53584	0.5
96.57979	0.5
105.05051	0.6
107.43744	0.5
113.09736	1.5
114.00262	0.5
139.96214	0.5
177.12860	0.7
179.14488	0.7
195.13895	15.4
196.14250	1.4
245.68065	0.5
277.21695	17.1
277.24756	0.8
278.22006	1.6
295.22766	100.0
296.23096	12.5
369.17004	0.7
373.90234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3009
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
53.43004	0.9
57.03465	0.8
61.98830	0.9
70.30250	3.4
72.63596	1.0
77.93121	0.9
83.05039	0.9
83.67066	1.0
98.52010	0.9
125.99321	0.8
170.59387	0.9
188.57704	0.9
305.28571	1.8
307.30048	64.2
308.30435	11.5
325.31055	2.6
351.29041	19.0
352.29419	2.5
369.30063	100.0
370.30438	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	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	37.0
61.98826	100.0
71.61369	46.9
75.00874	32.6
88.12337	33.8
121.02924	62.3
121.86286	33.5
160.52431	32.7
179.52963	29.7
226.35159	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	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67706	3.8
61.98836	100.0
69.57136	8.7
69.57545	21.9
121.02962	93.4
179.03473	13.1
371.07678	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	370.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33280	10.6
54.71587	7.8
59.01379	23.9
61.98832	100.0
70.24824	8.4
70.82795	11.6
75.87732	9.0
87.00906	8.5
100.00410	60.1
121.02982	9.2
123.04531	10.1
135.04541	11.6
175.01854	9.1
193.02856	23.1
332.73053	10.9
371.14944	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	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70428	21.2
59.01362	62.8
61.98820	22.1
63.00348	19.7
75.00912	24.1
98.20635	47.9
111.92133	25.2
135.04501	31.6
135.92509	20.8
141.40915	21.8
157.37712	20.7
203.44537	21.0
229.11023	24.6
352.80179	23.6
370.13785	39.7
371.28107	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	371.0984
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
57.03441	1.1
57.19830	0.7
57.49807	0.7
58.91084	0.8
59.01385	3.9
59.39486	0.7
61.98837	9.2
65.73662	0.8
66.25568	0.9
68.99832	1.4
70.63477	1.9
70.63814	1.3
71.01389	8.9
72.99300	2.2
73.02946	6.3
75.12403	0.7
85.02950	6.8
87.00880	80.9
88.01221	2.0
89.02425	1.2
95.01402	1.2
96.29741	0.9
97.02940	1.4
99.00892	1.4
101.02438	4.0
106.93457	0.8
109.02966	2.6
113.02468	2.3
122.03767	2.0
122.06121	1.5
123.04492	2.1
125.02457	1.1
129.01938	1.1
130.35181	0.8
131.03511	2.3
134.03738	3.9
135.04530	2.8
136.01666	13.8
137.02420	1.0
146.03738	5.1
147.04517	1.2
148.05322	1.5
149.06084	7.3
151.04005	14.7
157.05019	0.9
159.04430	0.8
161.02373	0.7
161.06030	1.7
162.03229	2.9
163.04016	3.0
164.04825	4.6
165.05397	1.0
166.05046	0.7
167.03436	0.9
172.05324	1.4
174.03282	1.1
175.03940	2.0
176.04761	1.7
177.05516	2.3
179.07137	7.3
188.04779	1.9
189.05484	1.0
192.04222	1.7
193.05025	0.8
203.07216	0.8
204.04314	1.4
205.05020	1.2
207.06653	2.3
216.04237	2.7
219.06631	4.7
226.34782	0.8
231.06660	2.7
235.06140	11.1
236.06586	1.2
246.05353	1.0
249.07780	1.9
265.07104	1.0
295.08194	2.6
353.08978	1.1
357.64590	1.0
371.09818	100.0
372.10098	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	369.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82207	1.4
57.03452	1.4
58.00635	1.4
59.01382	100.0
60.01724	2.0
61.98829	11.5
67.77715	1.4
69.62839	9.9
70.47157	1.2
71.01383	39.4
71.10359	1.3
72.99285	1.5
73.02951	4.0
78.95922	2.5
83.01408	3.5
85.02957	6.2
87.00896	6.6
89.02451	5.9
96.96964	4.9
101.02448	6.5
109.02944	2.2
112.65058	1.4
113.02439	6.5
119.05366	2.1
121.02945	2.1
133.05080	47.4
134.03777	2.2
135.04504	7.7
141.03075	2.9
147.04393	1.8
149.01309	2.2
149.02437	14.3
149.06059	10.2
150.03223	10.2
161.04541	5.6
163.04031	1.6
164.04782	3.6
165.05550	17.7
166.05907	1.6
187.06113	7.7
207.03227	1.4
207.06604	11.5
237.96516	1.5
249.09827	7.8
277.09293	17.5
278.09521	1.9
369.12314	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	369.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23994	1.1
55.01874	8.1
57.03434	3.6
58.00595	2.3
59.01379	57.7
61.98519	2.4
61.98829	34.6
69.03461	2.0
69.85593	3.9
69.86015	2.4
71.01384	79.6
72.99294	3.3
73.02950	32.7
75.00877	3.3
81.03455	1.8
83.01395	14.9
85.02960	35.8
87.00880	6.7
89.01907	2.1
89.02452	29.3
95.01382	6.6
97.02976	5.8
98.17518	1.1
98.20685	1.5
99.00880	19.0
101.02447	84.9
102.02769	1.7
111.00864	2.5
112.20605	1.1
113.02454	29.4
114.02786	1.6
115.03999	3.3
117.00423	1.1
119.03479	3.5
125.02461	7.0
129.01895	1.6
131.02014	1.7
131.03505	5.0
135.04500	1.5
143.03511	4.6
148.06320	2.1
149.02417	2.3
149.04565	6.1
149.05734	1.1
150.03218	1.2
159.02927	7.1
161.04558	43.8
162.04788	1.5
164.04768	2.3
165.05582	2.0
179.05615	1.1
191.05608	1.9
207.06810	1.7
207.08755	12.1
208.06187	1.3
219.05150	1.4
233.06624	6.4
237.09790	88.4
238.10144	5.0
248.19389	1.3
249.06235	1.9
293.08716	5.4
341.01935	1.3
369.14005	100.0
370.14441	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	369.2198
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
59.01398	0.5
68.37096	0.5
71.61592	0.5
78.95905	100.0
84.27911	0.5
91.81229	0.5
95.96167	1.3
96.96965	33.1
110.90820	0.4
168.94510	0.4
209.30553	0.4
216.00349	0.5
369.21988	12.8
369.26193	0.5
370.22391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1344
Annotation	Erypoegin I
Peak:m/z	Relative Intensity
53.12293	1.1
59.01374	4.0
69.92057	1.3
71.61594	1.6
73.19842	1.2
74.02474	1.2
75.30593	1.3
76.18812	1.3
87.00881	1.5
89.52547	1.2
95.01385	1.7
96.95998	1.3
107.05075	1.4
109.02932	5.1
111.25243	1.2
121.02939	2.5
122.03757	2.5
123.00880	3.6
124.01669	3.5
133.03011	1.3
135.04474	2.6
135.61093	1.3
136.01659	2.2
137.02457	7.0
147.04527	7.8
150.03189	3.2
159.04495	5.0
161.02451	7.2
161.06146	1.4
163.03963	1.8
165.05656	1.5
174.03244	1.5
175.03941	2.1
185.06119	1.9
191.07108	1.3
192.99365	1.2
199.07697	2.1
203.07214	1.9
211.07666	1.4
213.05547	4.8
215.07199	1.5
217.08774	2.4
225.05495	3.5
225.62990	1.2
227.03435	3.2
227.07182	4.4
237.05658	1.7
238.06448	1.8
239.07141	4.3
241.05032	8.5
255.06628	17.5
256.07117	2.2
265.04941	1.9
266.05823	2.1
267.06674	4.2
268.03687	3.0
269.04553	18.6
282.05301	1.7
283.06143	43.8
284.06885	100.0
285.07211	12.6
299.09262	38.6
300.09656	4.1
336.10046	4.0
344.17325	1.5
351.12378	2.8
354.11124	21.4
355.11334	2.5
369.13428	86.7
369.26471	4.1
370.13693	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	369.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	3.8
59.01380	100.0
60.01716	1.4
67.85860	1.1
69.11642	1.0
70.20924	3.9
72.99316	4.5
87.00879	33.4
87.01414	1.6
98.20559	1.7
103.00378	55.8
111.88896	1.1
112.98814	5.2
121.03004	1.5
127.15065	1.0
130.99869	20.2
133.06602	2.9
207.56534	1.3
237.07675	28.2
238.08224	1.5
282.10556	1.0
369.12201	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.6
61.98822	1.2
69.87332	1.9
71.01390	2.7
72.99316	0.7
73.02951	1.4
77.03971	0.5
80.89156	0.4
84.01709	0.4
85.02941	1.2
87.00876	10.0
89.02454	1.5
93.03465	1.2
93.75935	0.5
95.01385	1.0
95.05034	1.2
98.20535	0.7
99.00908	0.6
101.02461	1.0
109.02949	0.5
113.02426	1.2
119.03491	0.8
119.05007	1.4
120.05428	0.6
121.02969	7.5
122.03736	0.6
123.04568	1.1
124.04086	0.5
133.05115	0.7
134.03784	0.7
135.04555	2.4
138.05403	0.5
147.04433	0.4
148.05280	0.6
149.02444	72.4
150.03230	84.0
151.03564	4.0
161.06223	0.5
162.03229	0.5
163.04002	1.8
163.07538	0.5
164.04793	21.4
164.06160	1.1
165.05566	100.0
166.05887	7.0
175.03957	0.8
177.05591	0.4
179.03510	1.4
191.07147	1.0
192.04321	0.6
201.01715	0.6
203.89468	0.5
207.06589	1.4
209.08257	0.5
235.06113	2.3
369.12177	4.0
370.11261	1.2
371.23611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1342
Annotation	Fragransol D
Peak:m/z	Relative Intensity
57.03448	0.9
58.00578	1.9
59.01380	35.2
62.50290	0.6
64.57868	0.8
69.03454	1.0
69.85230	3.4
71.01385	2.1
72.99313	2.8
83.05030	0.7
84.74937	0.8
85.02950	0.9
87.00876	17.3
87.98534	0.7
93.03497	0.6
97.06596	2.8
98.20657	0.9
99.04470	0.9
103.00369	21.4
112.98817	3.0
113.02451	1.0
119.73151	0.7
121.02968	5.3
122.03752	1.4
123.00914	0.9
123.04533	0.9
125.53278	0.7
130.99863	7.3
132.02170	3.7
133.06664	1.0
135.04532	2.3
145.02995	1.0
146.03760	3.5
147.04536	2.3
149.00925	0.9
149.06027	1.2
153.05533	1.0
159.04620	0.8
160.01663	11.6
161.02295	2.1
161.06056	1.7
163.04027	2.5
164.04764	2.6
175.03984	0.9
179.03445	0.9
179.07162	7.5
185.00908	1.1
191.03384	1.3
201.09157	0.7
203.07104	1.4
206.07384	0.9
211.07614	2.0
216.07983	1.0
219.10229	1.8
221.06056	2.3
222.06882	5.1
223.07602	3.1
224.08391	2.7
225.05556	2.8
226.06221	1.1
227.06923	1.0
233.05957	1.2
237.05544	1.1
237.07584	12.0
238.06322	1.1
239.07089	2.0
240.07924	11.7
241.08246	1.2
243.06613	6.3
244.07362	5.0
247.07646	0.9
249.05528	1.9
250.06189	1.4
251.07092	4.8
252.07809	2.8
254.05722	0.9
255.10263	6.4
256.07523	1.3
262.06345	2.1
263.07123	2.5
265.04993	0.8
265.08737	1.4
267.06604	4.2
267.10214	2.2
268.07401	18.1
269.07767	2.5
272.06836	0.9
278.05835	3.0
279.06586	7.7
280.07397	18.5
281.07880	4.2
283.09756	15.6
284.10095	2.3
291.06607	2.7
292.07050	0.8
293.08151	3.7
294.08853	4.3
295.06152	3.0
295.09488	1.7
296.06845	13.2
297.07269	2.4
306.05353	1.7
307.06085	4.6
308.06879	21.0
309.07513	17.7
309.10696	1.1
310.08044	2.6
311.09250	9.4
312.09668	1.0
321.07748	6.2
322.08438	10.0
323.09210	36.1
324.06335	19.5
324.09930	16.7
325.06656	2.0
325.10229	1.8
337.10837	8.7
338.11563	20.9
339.08704	100.0
339.12253	10.4
340.09082	12.9
340.12689	0.9
351.10568	0.8
353.10278	7.3
354.11063	70.7
355.11414	9.4
369.13443	64.4
369.18204	1.2
369.22958	2.6
370.13696	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	367.9007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83700	0.8
59.01381	66.8
60.01709	3.3
61.01798	0.9
61.98831	100.0
65.20358	0.7
71.60889	0.8
75.71661	0.8
87.92506	2.2
90.50672	0.7
92.92896	1.0
103.92028	9.6
104.92828	1.2
115.14812	0.8
123.94590	0.9
126.88924	0.8
130.94382	3.6
145.96683	1.1
146.97452	1.7
147.94643	1.6
150.92513	1.4
163.94164	1.9
164.94090	0.8
165.95691	2.3
166.91048	2.3
166.93933	0.9
176.94958	1.2
188.98596	1.6
190.96484	25.9
191.96729	4.3
191.98251	1.0
192.95888	2.7
193.86095	4.7
193.89742	1.5
193.93913	7.7
193.96271	1.5
194.82555	0.9
194.95554	6.0
195.87370	0.9
207.96686	2.4
209.93341	1.1
210.90015	1.9
210.92815	3.5
211.87274	0.9
217.00330	2.6
232.97601	5.5
233.97803	2.2
234.97563	2.3
235.90752	1.1
235.94952	7.7
235.97391	4.3
236.97191	2.0
237.88666	2.2
277.88174	9.1
279.89838	5.1
281.92310	1.2
283.80109	1.7
284.78888	1.2
321.90802	2.1
325.91882	4.2
326.91040	2.8
346.82358	0.9
386.26547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91926	10.3
57.71547	9.5
59.01386	27.1
61.10485	9.8
61.98833	100.0
69.66406	24.3
69.66822	51.0
73.85610	9.8
98.19870	20.4
122.31042	11.0
187.14317	11.8
193.39426	10.5
251.99309	12.2
366.03287	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	368.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	61.6
61.98829	63.1
65.71429	17.6
71.61259	26.5
114.35208	25.7
146.32555	19.7
155.08391	20.2
211.55400	17.9
301.90799	23.6
369.13605	100.0
369.17389	28.6
391.38651	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.3
59.01381	54.8
69.56686	7.1
69.57085	2.2
72.99304	1.8
87.00877	26.2
98.19874	2.4
103.00382	25.5
103.05522	1.5
105.07092	2.3
112.98792	3.3
119.05022	1.9
130.99869	14.8
131.05028	3.5
133.06590	8.5
147.04489	3.7
166.48154	1.2
177.05641	2.6
219.10220	1.3
237.07669	100.0
238.07990	10.8
247.12527	1.2
369.11847	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	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.1
64.15146	0.7
71.01386	0.8
71.61308	1.2
72.99310	0.9
86.34493	0.7
89.02464	2.1
91.04012	13.4
96.96004	0.9
108.98509	0.8
111.08096	0.7
112.95633	0.7
113.09729	0.9
113.51811	0.8
171.10252	1.0
179.14395	1.6
179.28148	0.8
195.13908	8.8
196.14285	1.1
199.17003	4.2
205.12431	0.9
211.13501	0.9
223.13383	6.6
228.13620	1.3
231.21219	0.8
256.13098	1.7
275.20160	6.7
276.20340	1.0
293.21228	100.0
294.21533	13.2
295.22830	2.8
367.11771	1.0
367.24921	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66269	0.4
61.98821	0.4
68.94077	0.4
70.68303	0.4
71.39053	1.0
74.70601	0.3
117.86960	0.4
124.99616	0.4
129.42680	0.4
133.06583	9.1
149.09717	91.9
150.10056	5.5
194.09492	1.1
205.15965	51.3
206.16301	4.8
295.16998	4.2
296.17569	1.0
328.16788	2.3
367.26407	100.0
368.26752	20.2
368.31445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.264
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
50.46143	0.4
56.71358	0.3
67.53608	0.3
83.68491	0.4
98.19807	0.5
115.73537	0.4
133.06596	1.9
135.68517	0.3
149.09715	88.0
150.00023	0.4
150.10078	5.8
189.12930	0.4
205.15968	86.4
206.16301	8.3
311.19687	0.4
367.26395	100.0
368.26718	18.5
380.98041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.8
59.01377	2.8
62.88330	0.7
70.02084	2.3
73.27561	0.6
91.69402	0.6
98.20015	1.0
113.09743	17.0
139.11288	1.6
139.26640	0.7
143.08881	0.6
149.09724	0.9
167.10782	3.1
177.12830	1.2
179.10756	1.5
195.13945	2.6
249.22246	2.2
254.60287	0.7
267.10422	0.6
293.21240	100.0
294.18259	0.5
294.21542	12.8
321.77155	0.7
358.86276	0.7
391.07053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80438	0.5
54.42995	0.5
59.01373	6.2
69.50167	0.5
69.60939	1.1
69.61346	2.9
71.01363	1.4
89.02438	3.3
91.04009	11.4
95.64921	0.6
97.02957	0.8
111.08130	0.7
128.76202	0.4
171.10287	1.2
179.14452	1.1
195.13879	8.9
196.14383	0.7
205.12444	0.7
205.15962	1.0
219.02231	0.6
223.13396	6.5
224.13646	0.6
228.13673	0.8
256.13184	1.9
262.11798	1.4
275.20184	7.0
276.20303	0.7
277.21591	0.8
293.21219	100.0
294.21521	12.6
295.22833	4.2
309.20752	0.6
330.69293	0.5
331.18942	1.6
367.24698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.5
57.03434	3.4
58.00597	2.8
59.01382	71.3
60.05657	0.9
69.03461	2.7
69.69584	6.5
71.01385	52.7
72.01740	1.2
72.99312	2.4
73.02949	32.3
75.00874	0.9
81.03457	0.9
83.01392	11.0
84.79460	1.1
85.02956	28.8
86.03297	0.9
86.52998	1.0
87.00874	8.4
89.02454	11.0
95.01403	2.7
97.02968	3.0
98.20614	1.2
99.00889	13.5
101.02448	62.4
102.02826	1.5
111.00889	2.7
113.02460	21.1
115.04042	2.5
119.05028	18.5
120.05366	1.5
125.02453	3.6
129.01965	1.6
131.03484	4.2
135.04536	1.2
143.03452	2.9
145.02922	2.0
145.04036	1.6
149.00912	3.2
149.04558	2.7
158.03714	1.3
159.03011	4.7
161.04570	23.8
163.04004	13.6
173.06093	5.3
180.17253	0.9
191.05566	1.1
193.05049	1.0
205.09639	1.0
212.94547	1.0
217.08644	2.2
233.06703	2.2
235.11868	100.0
236.12276	7.4
265.12912	4.3
270.03885	1.4
279.10828	1.3
307.13959	2.0
367.10614	5.7
367.16080	75.3
368.10538	1.3
368.16412	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15932	0.9
51.47535	0.9
55.01883	6.3
57.03449	4.7
58.00575	2.4
59.01381	46.7
60.10971	0.8
61.98842	1.3
65.52917	0.8
69.03460	2.9
70.04196	4.1
70.64571	0.8
71.01387	56.7
72.99299	4.7
73.02952	27.2
75.00885	1.1
75.97726	0.8
77.50333	0.8
81.03458	1.4
83.01398	13.4
85.02954	30.3
87.00881	13.3
89.02448	17.3
93.03436	4.4
95.01411	4.1
97.02950	3.2
99.00883	12.8
101.02446	60.0
101.64063	0.8
109.02985	1.2
111.00899	6.2
113.02452	22.3
115.04020	1.4
119.03510	2.0
119.05024	9.4
123.04515	1.4
125.02457	3.0
128.46889	0.8
129.01964	1.5
130.99860	1.8
131.03505	7.1
135.04549	1.7
137.02431	1.1
138.05666	1.2
140.14513	0.9
143.03529	2.7
145.02946	2.9
146.03613	1.0
149.00916	2.2
149.04558	3.1
149.05844	1.0
158.03743	1.9
159.02985	3.5
159.04362	1.6
161.04579	23.3
161.06029	2.1
163.04001	7.9
165.01993	1.1
173.06059	14.8
173.09692	1.1
174.06468	1.2
175.03954	1.3
179.03496	1.0
187.04059	1.1
191.05504	1.1
199.07658	1.1
203.03471	3.0
204.04210	2.0
205.05070	2.4
217.08690	7.2
218.09206	0.9
230.39359	0.9
233.06598	1.6
235.11873	100.0
236.12178	7.6
243.10356	0.9
245.08220	1.0
270.03708	1.3
277.03012	0.9
277.10706	1.3
300.54483	0.8
305.10706	1.1
307.05246	0.9
307.08411	2.5
316.46951	0.9
366.61880	1.0
367.10400	24.6
367.16049	77.3
368.10632	3.0
368.16385	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.8
57.03437	4.0
58.00596	1.6
58.74855	0.8
59.01380	44.5
60.01713	1.3
69.03442	1.6
69.51240	3.4
69.51672	3.5
71.01384	57.4
72.01718	1.4
72.99290	3.4
73.02949	32.3
75.00867	1.6
83.01386	13.3
85.02436	1.4
85.02954	28.1
87.00877	6.2
89.02453	15.7
95.01378	3.6
97.02955	2.4
97.06577	0.9
98.19910	1.7
99.00883	10.5
101.02441	57.3
102.02811	1.8
108.40617	0.9
111.00839	2.8
113.02446	23.5
115.03983	1.5
119.03440	1.2
119.05014	4.9
125.02420	3.2
129.01910	1.8
131.03473	5.8
141.05385	1.1
143.03500	4.0
143.07108	1.0
149.00958	2.0
149.04556	2.1
158.03777	1.0
159.02939	3.9
161.04564	25.1
163.04004	2.9
165.02022	1.0
166.49535	0.9
171.24509	0.9
173.06079	6.5
174.06529	1.0
217.08762	1.5
233.06667	3.4
235.11862	100.0
236.12181	7.3
279.10904	0.9
328.97058	1.0
367.10638	7.8
367.16068	88.9
368.10376	1.4
368.16428	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	367.1186
Annotation	Cyclointegrin
Peak:m/z	Relative Intensity
59.01360	1.4
59.01657	0.5
65.26590	0.5
65.71138	0.5
71.01387	0.5
90.73859	0.5
93.32767	0.4
96.95993	1.4
114.28535	0.5
121.02927	1.5
133.02911	1.8
148.01605	1.1
149.02423	1.1
160.01674	3.3
173.02444	0.5
175.00343	2.2
175.03871	0.6
188.01147	10.6
189.01738	1.1
200.01143	4.3
201.01898	5.2
219.06512	0.6
225.05556	1.5
227.03572	0.7
235.03996	0.9
237.05565	1.0
239.03442	0.6
241.05099	0.7
243.06593	1.3
251.03545	0.5
253.05003	4.1
265.05023	1.8
267.03088	1.3
269.04529	1.1
280.03705	1.1
281.04559	3.1
282.05133	1.8
291.03091	0.7
292.03665	0.8
297.04099	9.3
297.07379	0.8
298.04443	0.9
308.03146	1.2
309.04031	93.7
310.04391	9.0
323.05704	0.7
323.09369	0.7
333.07632	0.9
335.09253	1.0
337.03314	0.8
337.07199	2.3
351.08740	2.0
352.09497	55.1
353.09824	7.6
367.11844	100.0
368.12195	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81010	0.5
67.24805	0.5
74.33788	0.5
82.90925	0.4
87.60564	0.6
117.05679	0.5
121.02949	1.4
125.58232	0.5
132.02168	0.7
133.02959	1.2
145.95946	0.5
148.01707	1.0
149.02393	1.1
160.01651	2.6
175.00345	2.4
188.01147	7.8
189.01785	1.5
197.06192	0.5
200.01135	3.7
201.01901	3.6
209.06065	0.8
217.04958	0.6
223.04100	0.5
225.05576	3.1
227.03578	0.6
228.04121	0.6
235.03934	0.6
237.05582	2.0
238.06154	1.2
239.03447	0.7
242.85268	0.6
243.06549	1.0
252.04274	1.1
253.04993	5.5
254.05585	1.1
263.03436	0.6
264.04285	1.0
265.05017	1.7
266.02222	0.5
267.02936	0.8
280.03769	1.7
281.04593	5.1
282.05347	15.0
283.05597	1.2
292.03488	0.6
295.06177	1.8
296.03552	0.6
296.06931	1.8
297.04056	6.7
297.07669	6.6
298.04443	0.7
298.07922	0.8
308.03296	1.2
309.04050	68.1
310.04416	8.3
325.55130	0.6
328.05847	2.7
333.07932	0.8
334.08429	1.5
335.09003	1.2
337.07126	2.1
349.10895	2.0
351.08737	1.6
352.09506	42.6
353.09805	6.3
367.11853	100.0
368.12216	16.4
382.34747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13219	0.6
56.93335	0.7
57.03439	0.8
57.11551	0.7
59.01373	2.2
63.63757	0.7
70.81365	1.7
75.00906	1.1
78.30127	0.7
104.38280	0.8
105.07118	1.6
121.03013	1.0
131.01387	1.3
133.02948	6.0
148.01701	1.0
149.02451	0.9
149.06075	27.8
150.06389	1.3
159.08116	0.8
161.02354	1.1
163.00322	1.8
163.04015	1.1
164.46371	0.8
171.98862	0.7
173.02367	0.8
175.00301	4.2
175.81389	0.9
181.06377	0.9
185.62740	0.8
189.01909	0.8
192.05785	0.9
195.13829	1.0
199.17009	2.0
200.01120	1.7
201.01950	7.3
204.13907	0.9
209.06021	1.3
211.13313	1.1
225.05515	1.9
227.03452	1.6
235.84489	0.9
237.05591	1.5
241.05042	3.3
251.03522	1.1
253.05070	3.5
265.05020	1.9
267.03052	1.6
269.04520	5.3
276.88608	0.9
281.04529	2.8
291.06448	0.9
292.03693	1.1
292.81030	0.9
293.21204	16.1
294.21603	2.0
297.04031	32.9
298.04404	3.6
309.04034	80.6
310.04465	8.5
335.08884	1.0
337.07178	3.9
351.08777	2.1
352.09506	52.2
353.09860	7.4
367.11850	100.0
367.20187	6.4
368.12198	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	365.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37588	12.5
61.18851	13.8
61.98842	100.0
71.61459	19.7
74.75811	14.8
85.50886	13.6
96.96028	18.2
124.38881	14.1
148.69153	13.4
166.17102	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	365.2696
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
52.32506	0.3
55.01867	0.5
59.01381	0.8
62.14282	0.4
71.05031	0.7
96.96018	0.6
98.68010	0.4
116.92841	0.7
155.14439	1.2
163.11340	0.9
165.12839	2.9
181.12294	1.6
189.25101	0.4
199.13396	30.6
200.13770	1.8
277.21811	1.0
312.43216	0.4
347.25888	3.6
348.26212	0.4
363.25562	0.6
365.26953	100.0
366.27271	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	365.2696
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
63.81163	0.5
66.12548	0.5
69.98186	2.7
85.06574	2.8
114.97464	0.6
116.92889	0.6
199.13406	1.4
251.19943	0.7
261.18579	1.0
277.21597	0.7
279.19632	17.4
280.19995	1.9
347.25864	7.3
348.26300	1.5
363.25470	0.6
365.26953	100.0
366.27258	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	366.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08999	0.2
56.50916	0.2
59.01378	0.9
64.04720	0.2
70.10489	0.3
70.10904	0.6
71.01381	0.2
85.35818	0.2
98.19955	0.2
103.20244	0.2
116.05058	3.6
117.05389	0.3
125.28988	0.2
159.03313	0.3
160.04037	100.0
161.04387	6.4
204.03011	4.4
204.04919	0.2
205.03305	0.5
347.70508	0.2
366.08289	17.0
367.08585	2.3
376.39148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.8
68.92329	0.4
69.73739	2.4
71.01386	1.7
72.99309	3.9
73.02924	0.9
87.00874	3.4
89.02460	0.7
90.02278	0.4
93.03451	0.6
98.19940	0.6
99.00877	0.4
101.02448	0.9
103.00385	1.2
105.01932	0.4
111.00800	0.4
117.03462	1.2
119.05032	100.0
120.05375	5.0
130.99893	0.7
135.04504	1.7
143.06950	0.5
145.02979	4.2
149.00929	11.0
149.02258	0.6
161.04446	0.4
163.04012	70.1
164.04346	4.1
173.06024	1.3
179.03485	1.1
180.06732	0.4
187.07605	0.6
191.07123	2.7
191.10782	0.9
201.09128	0.7
205.06926	0.5
219.10269	1.6
229.08795	0.8
231.26749	0.4
235.06081	1.1
245.08286	0.5
277.10782	2.2
307.17639	0.5
367.10226	5.7
368.10577	0.6
391.38000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.118
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
59.01379	1.4
63.29908	0.4
94.11338	0.5
96.96007	1.0
119.05042	0.5
121.02944	1.2
133.02957	1.6
135.04521	0.5
135.56822	0.4
148.01601	0.6
149.02429	0.8
156.44249	0.4
160.01668	2.7
161.02464	0.9
165.51476	0.4
175.00320	2.2
188.01151	9.1
189.01796	1.3
200.01157	5.0
201.01984	4.1
207.44142	0.4
215.80966	0.4
225.05551	2.3
227.03497	0.4
235.04010	0.6
237.05591	1.4
239.03452	0.7
241.04968	0.6
243.06593	1.1
251.03528	0.5
253.05026	4.8
263.03369	0.9
264.04068	0.5
265.05005	1.6
267.03003	1.3
269.04453	1.3
280.03616	1.0
281.04605	3.5
282.05334	2.1
284.03314	0.5
291.03131	0.8
291.06357	0.5
293.04800	0.5
296.03201	0.6
297.04044	8.5
297.07529	1.0
298.04614	0.7
308.03302	0.9
309.04028	94.0
310.04395	10.1
334.08401	0.6
335.09131	0.7
337.07214	2.3
351.08795	2.7
352.09488	55.6
353.09808	8.7
367.11826	100.0
368.12170	15.7
368.16800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2331
Annotation	15-methyl-15R-PGE2
Peak:m/z	Relative Intensity
51.86709	0.7
57.03438	1.6
59.01376	4.7
61.98812	1.0
70.75894	0.7
71.01383	0.9
71.61204	0.8
83.05041	1.6
95.05018	2.6
96.96002	1.7
97.06613	0.9
109.06597	1.3
123.08101	1.2
137.09714	1.4
154.81146	0.7
177.12825	1.2
195.13895	0.8
197.15324	0.7
199.13408	2.8
199.70906	0.7
205.45355	0.7
211.13448	1.6
213.14934	1.9
225.14986	2.2
237.15012	0.9
239.16501	4.2
275.23788	4.1
285.22238	2.5
291.19522	1.2
301.21661	2.7
303.23257	4.5
311.20178	1.9
319.22766	5.7
320.23132	0.9
329.21121	5.6
337.24670	0.9
347.22299	8.3
348.22339	1.1
365.23318	100.0
366.23688	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	365.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14864	0.6
54.43594	0.5
57.03442	1.0
57.32100	0.6
59.01377	3.5
62.64745	0.6
69.42223	0.7
71.05007	2.7
76.93970	0.6
80.96462	0.6
83.05018	0.9
95.05010	0.8
96.96013	3.5
97.06573	1.0
111.08161	9.6
112.08468	0.7
137.09679	0.9
138.18663	0.7
167.10739	1.5
177.12843	2.3
179.10815	1.3
180.37006	0.6
191.60826	0.6
195.13911	7.0
247.20680	2.2
273.18713	1.4
291.19662	100.0
292.20001	12.0
355.84457	0.7
365.19681	1.5
365.23581	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	365.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
71.01379	0.7
71.61653	1.1
72.97824	0.7
72.99311	0.7
73.94216	0.6
87.00881	1.5
96.96033	0.9
105.01928	5.2
182.42957	0.6
277.21725	100.0
278.22107	11.7
318.75342	0.7
365.23306	1.3
365.27225	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48086	0.5
57.03454	1.0
59.01374	2.9
61.98801	0.6
71.09937	1.3
71.10271	0.6
83.05021	0.6
89.53169	0.5
95.05041	0.7
96.95998	1.6
103.87995	0.6
111.08157	9.3
121.10231	2.3
125.09704	1.6
137.09673	0.9
156.90141	0.6
162.67796	0.6
167.10751	2.0
177.12859	2.3
179.10760	1.4
185.11839	2.8
190.51898	0.5
195.13901	6.5
209.11983	0.8
247.20683	1.8
273.18634	2.0
289.17941	0.7
291.19656	100.0
292.19980	11.9
365.15088	1.2
365.19418	0.9
365.23370	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	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40201	0.4
52.13213	0.4
53.70789	0.4
57.03450	1.1
59.01387	2.8
70.04125	1.8
83.05029	0.7
87.00932	0.5
91.04026	0.6
95.05003	0.7
96.95995	2.0
97.06599	0.7
109.06573	0.6
111.08167	7.5
115.74710	0.5
119.05111	0.5
121.10233	3.9
125.09711	2.5
137.09686	0.9
141.12733	0.5
149.09793	0.6
151.46567	0.5
167.10791	1.9
177.12845	2.0
179.10686	0.8
185.11856	3.4
195.13889	4.9
197.11842	1.0
209.11736	1.0
211.13330	0.7
247.20648	1.7
267.07596	0.6
273.18591	1.6
285.24500	0.8
291.19656	100.0
292.20007	13.2
316.42438	0.6
365.14917	1.2
365.19464	0.9
365.23569	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	365.1969
Annotation	Sinulariolone
Peak:m/z	Relative Intensity
57.03451	3.8
62.96093	0.4
69.03455	8.5
71.05023	3.1
74.44993	0.4
81.07061	0.4
83.05038	1.1
85.06572	0.7
87.00871	0.5
95.05054	0.8
98.19818	0.8
98.65472	0.5
101.98701	0.5
107.05032	0.6
109.06602	2.5
118.84364	0.4
123.08195	1.5
137.09665	1.0
153.86127	0.5
161.09673	0.5
175.11232	1.8
177.12872	1.8
189.12840	1.3
191.14429	7.4
192.14804	0.5
201.90309	0.4
205.16010	2.6
207.17574	3.6
217.16013	0.6
219.17484	0.8
221.19086	1.0
243.17435	2.4
247.20694	2.2
249.22203	3.1
257.19022	2.1
259.17313	0.9
259.20663	9.9
260.20941	1.2
261.18546	2.2
275.20090	4.6
276.20642	0.7
277.21783	5.4
303.19632	2.1
319.19080	0.5
321.20709	20.7
322.21094	3.1
365.19681	100.0
366.20047	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	365.1976
Annotation	Gibberellin A42
Peak:m/z	Relative Intensity
57.03452	3.7
59.01373	1.9
83.05045	14.9
85.06599	7.1
96.96018	2.0
98.20612	4.8
121.69514	1.8
135.04544	3.2
148.91069	1.6
151.38792	1.5
155.08678	4.0
233.80583	1.9
241.15863	2.1
243.17540	37.1
244.17957	3.9
257.19098	2.9
259.20667	14.5
299.93912	1.8
303.19675	100.0
304.20013	14.8
321.20734	2.9
327.21753	6.7
347.18671	58.6
348.18994	6.9
365.19702	72.1
366.20059	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	365.1968
Annotation	Gibberellin A42
Peak:m/z	Relative Intensity
50.37218	0.5
57.03450	2.8
57.33519	0.5
59.11704	0.5
68.52075	0.5
69.03453	2.0
69.37621	2.2
69.38049	2.1
71.05003	1.1
83.05025	6.0
85.06590	4.3
93.21902	0.4
97.62368	0.5
103.27177	0.5
109.57416	0.5
137.09706	0.5
155.08693	2.9
173.13350	0.5
177.39615	0.5
191.14378	0.8
207.17534	0.6
240.09042	0.5
241.16002	0.8
243.17513	23.6
244.17882	3.0
247.20761	0.6
257.19116	1.6
259.20621	11.3
260.21109	1.4
277.21655	2.2
303.19656	43.2
304.20029	6.3
321.20709	1.9
329.17526	0.8
337.89444	0.5
347.18649	16.0
348.18915	1.6
365.19666	100.0
366.20007	17.7
366.24643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79913	0.6
58.02984	1.0
59.01378	1.0
60.99313	3.7
61.98789	0.5
62.12063	0.6
70.06677	2.9
72.00900	2.7
72.04539	4.8
74.02475	100.0
75.02818	0.7
80.96519	0.8
84.04547	2.7
91.26830	0.6
96.96022	1.3
97.06615	0.7
104.03539	26.2
110.96682	0.6
114.70436	0.5
147.72012	0.6
195.53337	0.6
222.48828	0.7
259.20612	2.8
277.21658	1.2
288.23260	0.9
290.24872	5.4
302.24945	13.0
303.25342	1.6
314.37585	0.6
316.22845	15.4
317.23111	2.0
323.04572	0.6
334.23883	48.8
335.24194	6.2
337.75677	0.6
364.24948	67.7
365.25217	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	365.0877
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01387	1.9
60.96831	0.3
61.98820	0.4
67.04877	0.3
68.34696	0.3
70.03522	0.9
71.01391	0.5
73.02940	0.7
77.86077	0.3
84.46428	0.3
85.02969	0.3
87.00883	0.5
87.56966	0.4
95.06270	0.3
103.00366	1.0
117.22682	0.3
121.30367	0.3
135.04477	0.5
137.02467	0.9
145.02957	0.8
149.00964	0.5
152.56897	0.3
157.02943	0.6
158.03735	14.8
159.04524	6.3
161.02359	0.4
162.05624	0.6
163.03984	0.4
171.04530	2.1
173.06090	0.5
175.04012	0.3
179.03438	0.5
185.05901	0.3
187.03860	0.4
201.01926	0.7
201.05573	2.6
202.02711	100.0
203.03137	9.7
213.05515	2.8
226.05942	0.4
227.03485	0.5
231.06612	1.2
245.04491	1.4
275.05521	1.9
277.51636	0.3
281.30365	0.3
365.08759	44.4
366.09097	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	365.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
59.01381	100.0
60.01706	3.1
61.98832	6.4
70.84241	4.7
71.01383	34.5
72.99317	3.6
73.02949	15.0
75.00910	2.3
83.01393	5.7
84.04532	2.8
85.02934	11.8
87.00874	3.6
89.02448	22.0
92.05034	4.2
95.01423	2.3
96.00917	2.1
96.96021	2.4
97.01692	2.2
97.06580	3.8
99.00883	3.5
101.02438	25.1
104.05057	4.0
112.04037	12.2
113.02445	14.7
116.92889	2.0
118.06642	15.0
119.03492	9.2
122.06126	11.5
123.03267	3.8
124.04010	11.3
124.07653	3.7
125.02458	2.2
134.06120	12.3
136.07701	4.9
138.05617	27.3
140.07155	5.2
143.03532	4.1
146.06134	18.8
148.04053	29.8
149.00842	2.8
149.04468	2.2
150.05600	13.6
152.07220	3.5
160.04057	18.0
161.04588	12.4
161.07217	9.4
162.05626	52.7
164.07146	4.4
173.04762	2.4
174.05612	3.4
178.05093	97.0
179.05504	9.5
180.06702	5.0
182.04555	3.1
183.01196	2.3
184.06139	28.7
185.08260	2.1
190.05028	2.9
191.05858	3.5
200.10855	2.5
212.07188	2.8
212.10799	3.6
214.08701	2.5
224.10887	10.7
225.10284	2.6
230.11850	4.3
237.06709	2.4
239.08194	2.4
241.13431	6.7
242.11850	25.8
243.11479	10.2
250.98993	1.9
251.08224	3.7
252.09116	11.0
255.11458	5.3
257.09351	3.7
260.12921	3.1
261.12592	2.4
267.11389	37.5
268.11972	3.7
269.09488	2.9
270.09845	3.1
275.10193	4.7
285.12433	83.3
286.12726	7.6
303.13525	11.0
305.12360	12.5
311.10229	4.4
329.11429	82.8
330.11859	11.0
347.12503	24.1
348.12531	3.8
365.13940	49.0
366.13992	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	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	74.1
60.01719	0.9
61.98834	1.2
66.35643	0.5
71.01385	12.8
71.59977	0.7
72.99335	1.4
73.02959	1.7
83.01422	0.8
85.02957	1.8
87.00871	1.0
89.02446	16.2
93.58108	0.5
101.02442	5.8
109.52449	0.5
113.02439	4.1
116.05049	2.8
119.03503	6.0
132.04582	0.7
143.03546	0.9
159.03142	1.1
160.04039	100.0
161.04602	2.5
178.05070	1.0
179.05673	3.5
199.81877	0.5
203.08264	1.0
204.02980	4.5
279.02185	0.5
285.12521	0.7
305.12448	0.7
321.09833	0.8
329.11511	0.7
350.41034	0.6
365.14249	3.4
366.08325	16.2
366.13367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46986	1.1
55.01878	7.0
57.03438	4.7
58.00594	3.4
58.48639	1.1
59.01379	79.1
60.01717	1.9
61.02560	1.1
61.98834	1.6
69.03471	1.1
69.66888	7.1
71.01385	100.0
71.05020	1.4
72.01750	1.1
72.99313	6.2
73.02537	1.9
73.02949	39.1
75.00890	4.0
77.23100	1.0
83.01392	16.7
85.02953	42.8
86.03311	1.0
87.00866	8.1
89.02451	29.2
89.15778	1.0
95.01395	8.2
97.02950	3.5
97.06625	1.4
98.19820	1.2
99.00875	18.1
99.04559	1.3
100.01249	1.3
101.02450	68.4
107.02322	1.2
111.00865	2.3
113.02459	41.3
115.03984	3.3
119.03522	5.9
119.05029	3.0
120.01250	1.2
122.06143	1.2
123.54983	1.0
125.02429	6.5
128.03528	1.3
129.01976	1.8
131.03511	6.9
135.04562	1.7
138.05540	1.0
143.03558	5.6
143.04535	1.6
144.06761	1.3
149.00934	2.3
149.04541	3.3
159.02997	7.4
160.04120	6.4
161.04568	36.3
167.03520	1.6
173.26134	1.3
179.05595	1.6
191.05551	2.6
197.86725	1.1
203.12837	2.2
223.64018	1.2
233.06564	4.6
233.10301	94.1
234.10617	7.8
242.45476	1.1
263.11325	1.5
265.28314	1.0
279.50586	1.4
287.51587	1.1
289.08899	2.0
293.08698	2.1
365.09549	3.5
365.14490	82.2
366.15179	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	364.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
64.15849	2.7
64.88278	2.4
65.33875	2.8
66.38021	2.8
71.06326	5.1
73.76706	2.6
75.09764	3.0
85.80579	2.5
91.80253	2.4
106.25598	2.5
143.28496	3.1
191.96390	2.7
364.18564	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	364.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93923	0.6
59.01384	3.3
70.59431	2.0
74.02512	1.0
96.96016	1.0
97.27585	0.7
97.29733	0.6
104.03561	0.8
116.21189	0.7
250.27138	0.6
277.21716	100.0
278.19272	1.1
278.22079	12.2
291.19559	1.5
347.25873	3.2
365.27151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14577	0.4
51.91496	0.4
54.65257	0.4
55.01860	1.8
57.03450	3.3
58.00586	0.9
59.01382	26.4
69.81071	2.6
71.01385	14.8
71.05021	0.7
72.99304	2.0
73.02937	3.5
73.63851	0.5
75.00865	0.6
83.01399	3.0
85.02941	5.0
85.06586	3.1
87.00867	2.3
89.02445	8.2
89.69960	0.5
95.01402	1.3
96.96052	0.5
99.00916	0.9
101.02444	11.1
103.00381	0.6
109.02956	0.8
113.02444	4.6
116.27402	0.5
119.03492	2.9
121.02969	0.7
125.02435	0.6
131.99040	0.5
134.30368	0.5
135.04541	1.2
139.11180	0.7
140.07158	0.7
151.04057	0.8
157.12337	1.1
161.04579	0.8
163.03979	0.6
164.07114	0.7
165.09163	2.2
171.24664	0.6
183.10249	8.2
201.11316	10.9
202.11638	1.1
231.02956	0.9
231.06551	0.9
345.11523	0.7
345.15521	3.3
363.16599	100.0
364.16904	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	363.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96022	0.3
57.03448	14.2
59.01371	1.0
59.79391	0.3
65.76421	0.3
69.03445	1.5
71.01363	0.7
76.74883	0.3
77.54187	0.3
80.02662	1.4
81.03462	0.8
83.01445	0.3
83.05006	1.1
86.12807	0.4
92.16982	0.3
95.05024	3.1
98.19908	0.8
106.04222	0.7
107.05020	3.7
107.71889	0.4
108.05335	0.4
109.06600	2.7
112.32139	0.3
119.05029	0.4
121.06585	1.3
123.08155	0.8
132.36792	0.3
135.08154	2.8
141.00163	0.3
159.08127	4.0
161.09702	2.4
162.10005	0.4
163.11200	0.7
166.65323	0.3
173.09708	0.7
175.11284	1.9
177.12833	4.6
187.11275	0.4
189.12854	5.3
191.14418	12.5
192.14732	1.3
203.14378	0.9
205.15973	10.3
206.16275	0.9
215.14346	0.4
217.15968	4.0
219.17534	0.7
229.15541	0.3
231.17528	0.8
241.16022	0.6
245.19049	1.0
247.20651	2.1
257.15421	0.5
257.16306	0.5
257.19061	4.1
258.19254	0.6
259.16992	9.8
260.17383	1.3
273.18488	0.8
275.20160	8.2
276.20535	1.1
319.19089	3.7
363.18106	100.0
364.18469	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	363.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	26.2
71.01373	7.8
71.05021	6.7
79.44858	6.9
88.75131	8.1
99.08150	22.4
115.29623	6.5
121.33228	6.9
135.04486	7.7
144.87758	6.4
196.59583	7.1
197.11809	25.9
239.16522	8.6
275.20187	28.7
291.23270	21.3
319.26437	21.0
327.21725	90.2
328.22028	19.1
363.25397	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	364.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40542	0.8
57.48896	0.8
59.01094	1.4
59.01381	24.2
61.98834	100.0
70.02980	1.5
71.01395	9.3
71.05001	1.0
71.59833	1.4
72.99298	2.1
73.02954	2.3
75.00857	1.2
83.01386	1.5
85.02941	2.7
86.02489	1.1
87.00887	1.7
89.02454	6.0
90.43642	1.0
96.96947	1.6
97.06583	1.1
97.72997	0.8
99.00840	1.2
101.02451	6.9
113.02461	3.3
119.03500	2.7
128.03619	1.0
130.03354	1.2
135.04517	2.5
139.04053	2.0
146.08237	11.7
147.05949	1.0
155.66100	0.8
160.04037	0.9
161.04529	2.0
179.05595	1.5
205.99048	0.9
217.11984	2.7
218.02785	1.1
234.99139	1.7
248.97035	1.1
277.00305	2.6
277.12192	5.8
364.11816	1.4
364.15469	8.1
365.10651	1.9
365.14542	4.0
367.81509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01382	14.0
61.98825	0.8
65.99844	2.2
71.01379	7.4
71.62002	0.9
72.08522	0.6
72.99319	1.3
73.02950	1.8
75.00877	0.7
78.03501	0.7
81.03488	0.7
82.02984	33.7
83.01387	4.4
85.02951	2.4
87.00878	2.4
89.02446	4.7
92.05056	1.2
94.02983	1.9
95.01424	0.7
95.05040	0.7
96.04583	1.0
96.96012	0.7
99.00896	1.4
101.02456	5.5
103.00365	0.8
108.04536	1.3
110.02477	0.8
113.02441	2.3
117.03476	0.7
119.03496	1.8
119.05041	0.6
120.00905	0.8
120.04559	1.7
121.01702	0.7
121.10249	0.9
122.02478	2.3
122.06104	4.2
123.04546	0.8
125.02489	0.7
130.23491	0.6
133.06664	0.7
135.04503	2.4
136.04050	31.4
136.07660	1.6
137.02412	0.9
137.04326	0.8
138.05602	2.5
139.11208	0.8
149.00916	2.6
149.06061	1.9
150.05565	1.7
152.03528	2.1
160.04044	0.8
160.07625	1.5
161.04579	1.3
161.07196	1.2
164.03535	42.4
164.87607	0.6
165.03868	2.5
165.05383	0.8
174.09209	0.7
176.03473	0.9
176.07169	2.0
177.10342	1.0
178.08766	1.6
180.02986	1.5
182.04573	2.9
183.10257	2.9
187.03873	0.7
188.07097	0.9
190.05164	0.6
193.05096	0.7
194.04578	25.6
195.05360	7.1
196.06145	27.3
197.06487	1.5
200.07236	1.1
201.09538	0.6
201.11325	3.2
202.08769	2.3
203.08315	0.8
204.06697	1.7
215.05992	0.7
215.08415	0.8
216.06668	1.5
217.06194	1.6
227.08412	1.3
229.06126	0.9
231.07802	1.6
231.11429	0.7
242.08217	0.7
243.03973	0.9
243.11328	1.1
244.09825	6.7
245.09407	3.3
256.04950	1.0
257.05374	0.9
257.12903	3.7
258.06506	2.2
259.07114	1.9
259.10831	2.7
269.09296	2.4
270.07693	3.9
271.07196	3.7
272.07837	1.1
276.07294	0.8
287.10373	100.0
288.08029	1.0
288.10800	10.1
291.09839	2.0
313.08298	2.6
319.12817	2.6
321.15652	1.3
331.09354	40.1
332.09717	4.0
345.11499	0.7
363.11914	7.9
363.16589	17.5
363.20807	1.4
364.12177	1.3
364.16846	1.7
386.99625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01382	14.0
61.98825	0.8
65.99844	2.2
71.01379	7.4
71.62002	0.9
72.08522	0.6
72.99319	1.3
73.02950	1.8
75.00877	0.7
78.03501	0.7
81.03488	0.7
82.02984	33.7
83.01387	4.4
85.02951	2.4
87.00878	2.4
89.02446	4.7
92.05056	1.2
94.02983	1.9
95.01424	0.7
95.05040	0.7
96.04583	1.0
96.96012	0.7
99.00896	1.4
101.02456	5.5
103.00365	0.8
108.04536	1.3
110.02477	0.8
113.02441	2.3
117.03476	0.7
119.03496	1.8
119.05041	0.6
120.00905	0.8
120.04559	1.7
121.01702	0.7
121.10249	0.9
122.02478	2.3
122.06104	4.2
123.04546	0.8
125.02489	0.7
130.23491	0.6
133.06664	0.7
135.04503	2.4
136.04050	31.4
136.07660	1.6
137.02412	0.9
137.04326	0.8
138.05602	2.5
139.11208	0.8
149.00916	2.6
149.06061	1.9
150.05565	1.7
152.03528	2.1
160.04044	0.8
160.07625	1.5
161.04579	1.3
161.07196	1.2
164.03535	42.4
164.87607	0.6
165.03868	2.5
165.05383	0.8
174.09209	0.7
176.03473	0.9
176.07169	2.0
177.10342	1.0
178.08766	1.6
180.02986	1.5
182.04573	2.9
183.10257	2.9
187.03873	0.7
188.07097	0.9
190.05164	0.6
193.05096	0.7
194.04578	25.6
195.05360	7.1
196.06145	27.3
197.06487	1.5
200.07236	1.1
201.09538	0.6
201.11325	3.2
202.08769	2.3
203.08315	0.8
204.06697	1.7
215.05992	0.7
215.08415	0.8
216.06668	1.5
217.06194	1.6
227.08412	1.3
229.06126	0.9
231.07802	1.6
231.11429	0.7
242.08217	0.7
243.03973	0.9
243.11328	1.1
244.09825	6.7
245.09407	3.3
256.04950	1.0
257.05374	0.9
257.12903	3.7
258.06506	2.2
259.07114	1.9
259.10831	2.7
269.09296	2.4
270.07693	3.9
271.07196	3.7
272.07837	1.1
276.07294	0.8
287.10373	100.0
288.08029	1.0
288.10800	10.1
291.09839	2.0
313.08298	2.6
319.12817	2.6
321.15652	1.3
331.09354	40.1
332.09717	4.0
345.11499	0.7
363.11914	7.9
363.16589	17.5
363.20807	1.4
364.12177	1.3
364.16846	1.7
386.99625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1299
Annotation	Pyridaben
Peak:m/z	Relative Intensity
57.03464	2.2
57.73753	2.1
57.97016	2.0
58.00594	2.1
59.01381	100.0
60.25968	2.0
61.98821	6.4
69.03428	2.5
70.29572	1.9
70.29906	8.8
71.01383	49.0
72.99308	5.3
73.02929	9.9
75.00857	3.3
83.01371	3.9
85.02953	14.9
87.00874	5.3
89.02449	36.0
89.46719	2.1
95.01404	3.1
97.06586	16.2
99.00849	4.8
99.04628	2.2
99.09962	2.0
101.02441	30.6
101.38914	2.0
109.03030	2.5
109.06528	2.1
111.04512	3.5
111.08175	3.1
113.02451	14.9
115.00455	2.1
119.03491	11.4
119.05033	8.3
123.00837	2.1
123.04555	9.8
134.04797	2.6
138.05560	3.1
139.07657	42.5
140.07079	2.6
140.08075	2.2
141.05580	13.6
143.03558	3.4
144.04655	2.2
154.05066	2.0
161.04552	8.3
163.04024	6.3
168.11769	2.3
173.56596	2.3
179.05647	2.0
183.06578	5.3
201.01866	2.5
201.07632	10.2
301.11932	3.9
303.10864	10.6
363.12973	97.3
363.16904	6.4
364.13306	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	361.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.7
60.84037	0.9
65.79622	0.7
69.52635	0.7
71.62182	1.2
84.48277	0.8
88.04196	0.7
90.89945	0.8
95.66252	0.9
99.92574	0.8
147.20895	0.7
172.77783	0.8
185.23071	0.8
279.23279	100.0
280.23602	12.9
319.90683	0.8
361.15616	2.0
361.23608	18.1
362.15509	1.1
362.23865	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	361.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
76.39025	11.4
101.96290	13.9
109.19685	13.0
111.20340	12.0
133.47627	15.1
185.53958	14.8
361.20032	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	361.9892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.6
60.01715	1.1
61.98831	100.0
78.91830	0.5
121.02953	0.7
133.27483	0.4
137.10216	0.4
156.18529	0.4
159.97444	1.0
161.01295	0.5
174.99268	1.0
175.99554	1.0
177.96812	0.4
178.66849	0.4
178.98546	1.3
189.98364	0.5
201.02618	1.8
202.89699	0.4
203.02330	0.7
204.00034	4.6
204.02718	0.8
206.97527	0.4
217.00275	3.5
217.97786	0.4
217.98645	0.5
218.00598	3.6
219.00479	1.2
219.97757	46.9
220.99724	5.0
245.97462	0.4
277.99673	0.7
285.46472	0.4
301.98355	0.4
319.98099	1.6
320.01257	1.1
361.99298	4.4
362.02530	1.4
363.00204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96941	1.3
59.01378	13.9
69.71889	7.8
71.01387	3.0
73.02952	2.0
87.00886	2.8
89.02431	1.8
92.05057	1.3
93.50064	1.1
95.05039	1.7
97.06606	1.7
101.02435	3.0
103.00357	2.1
108.04544	1.6
109.65601	1.2
110.06111	4.9
116.05037	2.2
118.06625	1.7
119.03754	1.7
120.04557	1.9
121.05323	2.8
122.06137	18.3
124.07710	1.5
131.03772	1.5
132.04543	3.4
135.04538	3.1
138.05603	1.5
144.04558	9.4
145.05348	18.2
146.06149	10.4
148.04019	2.8
149.00943	2.0
159.03247	4.1
160.04039	60.0
161.04832	28.2
162.05595	5.4
164.03496	2.1
174.01884	1.8
175.02705	1.4
176.03511	13.9
177.04292	11.0
188.03584	4.8
189.04318	73.9
190.04927	8.0
192.02995	3.6
193.03784	17.4
203.05838	1.5
220.06215	3.1
221.03380	18.5
221.06865	23.3
222.07414	2.1
229.14456	3.4
231.11432	3.5
243.11339	5.4
253.05965	9.8
255.11414	17.2
267.11380	33.7
268.11697	4.3
271.10895	1.7
283.10980	3.5
285.12454	5.4
287.13974	3.2
299.10312	13.8
305.04776	1.4
311.10382	50.4
312.10608	4.9
317.10834	1.3
317.14996	1.7
329.11472	17.6
330.11691	3.2
331.12997	22.8
332.13333	3.6
343.12982	100.0
344.13376	13.2
361.09967	1.5
361.14078	26.0
361.22336	2.6
362.14285	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	360.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63010	0.3
53.08703	0.3
59.01368	0.4
61.98832	100.0
71.01389	0.4
71.60382	0.4
73.94771	0.3
76.47586	0.3
78.95900	0.4
93.01572	0.4
100.98286	0.3
117.86266	0.3
134.04776	0.5
135.04552	1.3
136.04900	1.2
149.00862	0.3
151.04048	0.6
154.05934	0.4
157.21725	0.3
158.36844	0.3
194.21260	0.3
195.06741	0.5
265.97311	0.3
331.53848	0.3
360.10736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	37.0
61.98846	8.0
69.03498	3.8
69.39507	25.4
71.01385	10.5
72.99319	33.8
81.03479	5.5
83.05038	3.0
87.00880	44.7
89.02460	6.6
93.03468	18.3
95.01403	9.4
95.05048	10.3
96.96018	4.8
99.00876	3.2
101.02455	3.2
103.00383	13.5
105.03479	4.2
107.28069	3.2
108.02201	3.7
109.02974	10.5
111.04495	3.8
113.02428	4.7
118.39676	2.7
119.05027	46.4
120.05341	3.0
121.02969	35.3
123.00928	6.8
123.04542	30.6
124.01682	11.7
124.13605	3.2
130.99857	8.0
133.02983	11.5
135.04515	8.1
135.71062	3.1
137.02452	16.3
137.06104	3.3
139.04034	21.7
149.00922	100.0
149.02443	32.6
151.04030	16.6
154.01486	3.0
154.02710	4.3
163.04018	54.8
165.01927	4.7
167.03502	29.7
177.01909	7.6
178.02724	7.2
179.03442	4.9
193.01480	4.0
194.02135	4.5
195.02979	11.4
211.02432	3.5
323.09814	3.1
361.11029	4.9
361.15369	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47000	1.0
57.03436	1.3
59.01383	12.8
70.93379	1.1
71.01376	2.4
71.62102	2.4
72.50541	1.0
73.02952	1.4
75.97639	1.0
76.91165	1.1
85.02926	1.3
87.00880	3.6
89.02383	1.1
89.05782	1.0
95.05025	1.6
101.02441	2.4
103.00386	1.1
104.23727	1.1
110.06123	5.9
113.02408	1.5
116.05090	1.7
118.06622	1.7
120.04536	1.4
121.05364	2.1
122.06113	17.4
123.04614	1.3
131.03725	1.2
132.04553	2.2
134.06099	1.6
135.04510	4.0
139.05986	1.3
144.04581	9.0
145.05345	18.0
146.06122	7.8
147.03290	1.1
148.04025	4.1
149.00986	1.1
159.03238	5.0
160.04037	53.9
161.02556	1.1
161.04820	27.0
162.05573	8.5
163.04021	2.0
164.03499	2.4
174.05544	1.0
175.02736	1.7
176.03535	13.1
177.04311	9.8
179.03502	1.8
185.27814	1.0
188.03526	3.2
189.04315	75.9
190.04890	6.2
192.03035	2.4
193.03761	16.9
197.99370	1.0
202.39117	1.1
203.05843	1.6
221.03343	16.9
221.06865	22.0
229.14433	3.0
231.11435	4.1
243.11461	6.6
253.05914	5.6
255.11415	16.6
255.13951	2.0
256.11664	1.8
261.12405	1.5
267.11401	31.2
267.14340	1.6
268.11771	2.7
269.13193	1.4
283.10867	2.2
285.09308	1.4
285.12399	6.7
287.14063	3.3
299.10413	14.8
300.10461	1.4
301.11847	2.5
311.10376	45.6
312.10629	3.8
329.11395	18.7
330.11835	1.4
331.12976	24.0
332.13190	2.3
343.12970	100.0
344.13257	14.8
361.10193	1.3
361.14078	25.8
361.22104	1.7
362.14542	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35639	0.6
59.01093	1.1
59.01379	20.5
69.34821	6.4
82.81519	0.8
82.83067	0.6
89.08662	0.7
94.35371	0.7
98.19838	1.1
99.92594	0.8
128.18225	0.6
140.29192	0.6
161.24724	0.6
174.57132	0.6
259.20584	0.6
275.20386	0.9
277.21710	100.0
278.19272	1.1
278.22083	12.9
349.91797	0.7
359.15283	0.8
359.22018	17.3
359.25848	0.6
360.22330	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	360.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13948	0.3
55.81319	0.4
59.01383	9.2
61.98843	0.4
69.26007	4.2
71.01382	2.6
72.99306	1.3
73.02959	0.5
79.27769	0.4
83.05013	0.5
85.02945	0.9
87.00879	1.7
88.04049	0.7
89.02441	1.3
96.96035	1.1
101.02450	1.4
108.02174	8.4
108.04535	0.6
109.02494	0.5
109.85893	0.3
113.02476	0.6
115.00416	0.4
119.03449	0.5
119.05077	0.5
119.08669	0.7
120.01279	0.7
122.06113	0.6
131.04597	0.5
132.03033	3.9
135.04575	2.0
136.04903	0.6
137.02487	0.4
138.01974	100.0
139.02328	3.9
149.00903	0.5
149.02429	0.4
151.02779	0.4
162.70363	0.4
178.04999	0.6
179.03531	0.7
181.08711	1.1
199.09738	1.7
229.10718	0.6
291.94858	0.4
360.11691	0.4
360.16913	0.7
361.09894	3.1
361.15005	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	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54943	0.6
57.03429	0.8
58.00599	1.0
59.01377	20.3
64.80097	0.5
66.44714	0.6
71.01364	0.6
72.40609	0.5
72.99297	1.9
87.00876	13.7
103.00378	5.0
111.08189	1.1
112.98795	0.9
130.99849	1.9
135.04460	0.7
149.00912	11.0
165.12839	18.9
166.13214	1.6
179.03560	0.6
183.13892	71.2
184.14279	5.7
209.11848	2.0
227.12889	100.0
228.13219	9.2
359.13599	1.8
359.28085	2.0
360.14169	0.7
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
52.64634	0.9
55.01875	3.3
57.03444	4.4
58.00591	2.3
59.01381	55.7
60.01709	1.0
61.98819	2.6
65.44534	1.1
71.01384	50.1
71.10117	2.5
72.01718	1.1
72.99313	7.0
73.02952	11.1
74.02470	2.8
75.00864	2.7
81.75735	0.9
83.01382	8.2
84.87730	1.0
85.01178	1.0
85.02951	19.5
87.00882	8.8
89.02444	18.2
93.49879	0.9
95.01387	4.7
97.02959	2.4
98.02451	3.0
99.00883	4.3
99.02766	1.0
101.02447	39.5
103.00333	1.1
107.05017	1.4
108.02147	2.6
109.02955	4.4
113.02460	16.8
118.06660	1.3
119.03519	7.6
121.02920	6.2
122.03752	16.1
123.04572	7.4
124.01646	1.9
131.03497	3.1
134.03757	1.8
135.04532	38.5
136.01653	1.4
136.04857	1.8
137.02493	4.9
137.06085	4.3
138.03183	2.2
139.04047	1.3
139.07678	1.3
148.73859	1.0
149.00948	2.3
149.02368	1.0
149.06078	4.0
150.03181	1.0
151.03964	1.3
153.01947	1.5
153.05565	2.8
154.02678	2.3
159.02983	3.5
161.04570	6.0
161.06061	4.8
163.03998	4.0
164.04778	4.0
167.03514	1.7
172.14650	1.0
179.03511	10.2
179.05771	1.3
179.07126	6.5
182.02246	1.1
182.04276	1.9
182.05850	33.7
183.06334	1.5
191.05605	1.4
195.06654	3.1
196.03764	1.2
197.04517	9.6
197.08192	100.0
198.05042	1.1
198.08586	6.3
211.06042	1.4
221.06680	1.7
239.05629	5.7
242.05946	2.5
253.08678	2.2
264.93192	1.2
270.11771	2.4
271.09738	5.3
314.14648	1.2
315.08667	3.0
327.10678	3.7
341.12537	2.1
359.09500	13.9
359.13519	41.1
360.14059	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1247
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
59.01368	7.6
61.98821	2.3
65.17809	1.1
71.01382	4.8
71.59375	2.2
72.00903	8.3
72.99307	74.0
76.97344	1.0
82.51109	0.9
85.02968	1.6
87.00909	1.7
89.02442	3.6
101.02453	2.1
107.05015	1.9
109.02948	4.8
123.04533	24.4
124.04860	1.3
134.03758	3.0
135.04529	58.1
136.04803	2.5
136.07689	3.8
137.02451	1.3
151.03979	5.0
161.06114	1.3
164.04836	1.9
165.05515	1.6
169.75789	1.1
179.03502	39.3
179.05154	2.0
179.07043	1.6
180.03853	3.5
180.06679	6.1
193.05046	1.0
193.06573	5.5
197.04543	100.0
198.04930	6.0
207.08141	3.6
209.06059	1.7
211.07684	2.7
219.08170	10.0
223.07680	4.7
224.08414	6.0
225.09193	5.1
235.07570	1.5
237.09177	21.5
238.09612	2.0
240.10202	2.0
252.10316	5.1
254.08496	2.2
254.11772	6.5
256.07358	4.6
262.31329	1.1
263.07205	7.4
268.09744	1.7
273.10129	1.7
280.09833	7.8
281.08084	10.5
285.09982	1.6
296.09229	2.4
297.07312	1.4
297.12466	1.3
298.10800	6.9
300.06345	1.6
313.12164	5.8
314.10065	1.6
315.13412	2.3
317.09000	3.2
324.08810	5.6
341.11441	38.0
342.09882	4.3
359.09314	29.9
359.12552	64.2
360.13486	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09894	1.7
52.38316	1.7
57.03443	2.7
58.00597	2.8
58.86528	1.6
59.01381	98.1
60.47084	1.7
61.98829	3.0
62.51412	1.8
71.00993	3.1
71.01384	62.4
71.05046	1.6
71.60695	1.8
71.61107	3.9
72.99309	68.4
75.00852	2.0
83.01407	2.6
85.02949	11.0
87.00854	7.4
89.02446	65.6
93.03460	4.1
93.95672	1.9
95.01382	5.6
101.02449	32.0
102.02768	2.1
107.05030	2.3
108.02161	2.9
108.05378	1.8
109.02955	5.7
113.02448	19.4
119.03515	24.0
119.04967	1.6
123.00893	4.3
123.04536	22.8
125.02438	7.4
134.03740	4.4
135.04532	66.4
136.04860	3.7
137.02457	11.3
138.03265	3.2
143.03514	2.2
149.00960	3.5
149.02423	9.5
149.06071	4.2
151.03993	5.5
152.04817	3.1
153.01906	1.8
153.05565	4.3
161.04582	1.7
161.06003	3.1
164.04785	33.7
165.02032	1.7
165.05299	1.7
179.03513	49.3
179.05701	2.8
179.07101	34.8
180.03922	2.3
180.07434	2.0
182.02182	4.1
182.05742	2.8
192.64098	1.6
195.08551	1.9
196.03743	3.5
197.04544	100.0
198.04784	6.4
211.06093	1.9
221.09959	1.7
242.05785	2.5
271.09763	2.6
308.09061	1.8
359.09756	65.6
359.13812	3.4
360.10156	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	359.0985
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
50.40834	0.6
50.46354	0.6
59.01371	4.0
69.96024	3.2
71.01395	2.0
71.52039	0.6
72.99310	77.7
73.99660	1.0
89.02460	2.9
95.56075	0.6
98.19898	0.8
101.02459	1.1
103.91099	0.8
107.05048	1.4
109.02959	2.3
113.02442	1.3
119.03481	1.1
123.04529	27.3
124.04798	1.0
134.03716	1.4
135.04529	50.9
136.04890	1.7
151.04037	1.8
164.04782	1.5
179.03500	48.4
179.07016	1.4
180.03906	3.5
197.04549	100.0
198.04897	5.3
271.09848	0.8
329.69370	0.7
341.11923	0.9
359.09808	83.0
360.10175	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	359.0981
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01371	2.9
61.98837	4.5
62.19707	0.7
71.01363	2.0
71.59597	1.4
72.99309	33.9
75.00886	1.3
85.02953	1.0
87.00865	2.1
87.92514	1.2
89.02447	0.9
91.05490	1.0
93.03428	1.0
95.05021	0.8
96.40186	0.8
96.96046	0.8
99.04514	0.8
103.92013	1.7
107.05038	1.3
109.02958	4.2
111.04522	1.5
112.23366	0.8
112.98840	0.8
120.01241	0.7
121.02970	1.7
123.00885	1.7
123.04530	17.6
125.02465	1.2
134.03835	4.7
134.04749	1.7
135.04535	100.0
136.04874	5.4
137.02504	0.9
138.03218	3.0
145.96744	0.8
149.00908	1.3
149.06065	2.3
151.03981	4.4
153.01950	2.0
153.05585	6.3
154.06006	0.8
161.06137	1.8
161.96248	1.3
165.01852	0.8
165.05669	1.0
166.99850	1.0
167.03482	0.9
179.03505	33.5
180.03847	2.5
182.02225	1.2
197.04553	44.0
198.04910	2.4
213.04080	1.3
242.05963	0.9
271.09705	3.7
297.09628	1.1
315.08990	1.2
341.12134	1.1
359.09900	29.1
360.10315	4.5
383.69946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0985
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
52.79256	0.3
59.01377	2.6
61.98827	0.4
62.37325	0.3
70.98121	0.8
71.01391	2.0
72.99314	1.4
80.44841	0.3
83.01389	1.3
85.02959	0.5
87.00907	0.4
89.02446	0.9
91.05535	0.5
93.03476	0.7
95.01408	0.4
101.02456	0.8
107.05005	0.4
109.02940	1.9
111.04538	0.4
113.02473	0.5
121.02967	0.5
123.04530	14.8
124.04881	0.8
125.02434	2.9
133.03033	0.5
134.03754	2.0
135.04532	100.0
136.04860	4.9
137.02438	0.5
138.03233	0.6
139.03979	0.8
149.00977	0.6
149.02444	2.1
151.00389	1.1
151.04012	3.3
153.01968	6.7
153.05585	18.4
154.05936	0.8
159.21608	0.3
161.02361	0.4
165.05605	0.7
167.00018	0.3
167.03505	2.3
179.03566	1.0
180.06770	0.4
195.03072	0.5
197.04538	4.1
209.28394	0.3
213.04091	1.5
217.00290	0.5
226.07712	0.3
271.09827	0.5
297.09763	2.2
311.08109	0.4
315.07385	0.5
329.08691	2.2
359.05978	0.6
359.09601	4.9
360.13315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23770	54.5
81.32398	57.4
161.83682	60.5
216.30362	59.4
315.23151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	86.6
60.01706	1.5
61.98833	3.0
69.98001	2.0
72.99293	2.0
78.83214	0.4
90.97143	1.0
114.98887	0.8
118.96597	0.6
132.98154	2.0
135.12245	0.5
156.90981	0.4
156.99922	1.1
157.03534	3.1
159.01541	1.3
162.10170	0.6
174.99249	22.8
175.99614	0.7
198.91937	0.5
201.02551	25.1
202.02750	2.3
217.00299	100.0
217.97908	1.4
218.00653	4.2
274.99606	1.3
275.99887	0.5
288.47086	0.4
298.92099	0.4
299.00882	0.5
317.00635	1.8
318.00601	0.6
359.01599	6.2
360.01755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
57.03439	1.0
59.01381	7.1
71.01388	1.2
71.62422	1.0
72.39082	0.7
72.99300	2.1
87.00880	5.1
92.05063	1.2
101.02416	1.0
103.00352	0.7
106.02967	1.1
108.08182	2.5
109.02952	0.7
109.08553	2.1
114.81369	0.7
119.05018	1.7
120.04556	2.9
121.02959	5.6
122.06116	1.8
123.04525	1.2
131.06148	1.8
132.04601	0.7
133.01688	2.0
134.03738	0.8
135.04543	5.7
137.02466	3.1
138.03220	0.9
139.00362	1.2
144.08191	1.6
145.02986	4.5
147.03290	48.5
147.04489	8.0
148.04088	9.2
149.00911	2.9
152.07137	0.8
153.01932	0.8
153.07501	1.3
157.05264	1.8
159.09267	1.3
161.02448	1.1
161.06039	1.8
162.03175	1.0
163.04019	12.6
164.04510	1.0
165.01813	1.0
167.03459	1.4
169.05353	2.0
172.07700	1.2
173.02412	2.8
173.06026	0.8
174.03227	8.7
175.03998	32.8
176.04774	12.4
177.05589	3.4
179.03520	4.3
180.02887	0.9
180.04294	14.4
181.04842	1.1
183.13841	1.0
184.07674	1.4
187.08778	7.3
188.04779	6.0
189.05545	10.8
190.06354	31.6
191.02217	3.5
191.07126	25.7
192.04234	1.4
192.07520	2.5
193.03336	0.9
193.05074	12.9
194.05826	8.1
196.06195	1.1
197.04521	2.7
197.06352	1.2
199.05138	1.9
199.45476	0.7
200.05716	2.0
200.07419	3.2
200.10782	1.1
203.07120	3.5
204.07515	0.7
205.08691	24.8
206.09016	2.3
207.06616	8.1
208.05553	1.3
208.07396	15.2
210.09308	0.7
211.13414	7.2
212.05428	1.0
212.07486	4.7
213.03041	2.0
213.06779	1.4
213.14906	3.6
214.07332	0.8
215.08200	2.8
223.09709	2.0
223.13373	1.4
225.06572	0.8
226.07327	1.4
227.04620	26.6
227.08270	2.5
228.05232	4.1
241.06064	1.8
241.09966	4.3
241.14418	12.4
242.06952	4.2
242.14789	1.2
243.07733	57.6
243.11270	5.6
244.08167	4.9
251.12865	6.3
253.14415	2.0
254.06911	1.2
255.07744	18.4
256.08167	0.8
259.13330	1.5
269.09329	3.9
271.10846	13.7
272.11270	1.2
277.14438	1.5
287.06836	4.6
287.09705	1.2
297.08762	6.9
298.08609	1.0
299.06519	1.3
305.13626	1.3
315.09930	11.7
316.10080	1.1
329.10342	1.7
344.12613	5.1
359.08810	100.0
359.14932	57.9
359.24298	1.8
360.09103	14.2
360.15286	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	358.162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48134	1.1
58.02970	1.4
59.01381	11.4
67.01882	3.1
69.81973	5.9
70.02983	1.0
71.01386	2.5
72.00904	4.6
72.99319	3.0
74.02478	100.0
75.02792	1.8
82.02990	4.0
82.06631	3.0
82.44466	1.0
83.01402	1.5
85.02957	1.4
87.00878	6.1
93.03506	1.1
98.02482	80.8
99.00887	4.6
99.02811	2.1
100.00421	4.2
101.02485	1.3
103.00375	2.4
108.02225	1.3
109.02958	1.7
111.03249	1.5
112.02807	1.6
112.04049	2.9
112.07714	2.7
112.98830	1.4
113.03609	1.2
114.05611	1.0
116.03552	4.8
118.05120	13.7
119.05038	7.3
120.01256	2.2
120.05373	1.1
121.02972	1.3
123.04525	1.2
125.03564	6.0
125.09651	1.1
130.08739	2.3
131.04619	2.1
134.03751	3.2
135.04568	15.2
138.09221	1.6
139.08778	5.0
140.07198	4.5
140.10745	1.8
141.10335	4.9
143.04625	2.6
146.92937	1.0
149.00925	3.2
149.06160	2.2
150.09242	1.4
151.04036	1.6
153.01903	1.2
153.05569	2.1
153.09203	1.1
153.10370	1.1
154.08725	1.6
161.06042	1.0
163.04022	5.5
164.10814	2.3
166.08708	2.2
168.10292	11.9
169.09764	5.1
179.03477	7.6
179.11911	2.2
180.10315	1.1
180.54715	0.9
181.09836	1.3
185.09363	1.8
193.04948	1.1
194.05525	2.0
194.08246	19.2
195.08585	1.7
196.05896	2.2
197.04514	1.4
207.11386	14.7
212.09320	4.5
225.12480	9.8
227.12837	1.2
239.10461	1.5
253.12814	1.3
257.11407	8.8
269.11432	70.5
270.11618	6.3
298.10202	1.2
313.14053	23.0
314.13705	23.3
315.13843	3.1
316.11139	1.2
358.16235	39.9
358.19876	1.4
359.08078	2.0
359.16763	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	358.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69320	1.1
58.02960	2.4
59.01102	1.6
59.01380	23.1
60.01704	2.5
61.98835	5.7
66.91196	1.0
67.01871	3.4
68.83871	1.2
69.56601	7.6
71.01383	6.9
72.00896	2.8
72.99299	2.8
73.02886	1.2
74.02475	100.0
75.00855	1.7
80.04976	1.3
82.02957	3.5
82.06618	3.5
86.02454	1.3
87.00872	7.5
88.04034	4.4
89.02445	2.5
93.03479	1.3
98.02477	81.4
99.00874	3.2
99.02847	1.7
100.00389	4.8
101.02449	2.1
103.00352	2.0
107.05017	2.1
108.02133	2.9
109.02956	11.0
109.04110	1.6
112.02810	1.9
112.04042	4.4
112.07689	1.5
114.05523	1.5
116.03516	2.7
118.05095	13.8
119.05000	4.6
121.02924	3.4
123.04486	4.1
124.04797	1.5
125.03550	4.5
130.08701	1.2
133.02927	1.5
133.06551	3.0
134.03772	1.5
134.06094	2.3
135.04541	22.8
135.08104	1.3
136.03969	1.2
137.02426	2.2
138.02010	1.2
139.08769	4.0
140.07132	4.6
140.10783	2.5
141.10332	3.8
143.04597	3.6
149.00888	4.3
149.06044	4.4
150.09206	1.5
151.03986	2.9
152.04361	4.0
152.07117	1.7
153.01877	1.8
153.05635	2.9
154.05916	1.7
154.08694	1.2
155.08255	1.6
161.06070	13.1
163.03992	2.3
164.10783	1.4
166.08673	2.3
167.08226	1.3
168.10358	8.6
169.09805	6.5
178.04939	1.3
179.03502	7.9
179.11919	2.9
185.09251	1.4
186.05521	2.0
189.10527	1.2
194.08217	18.5
197.04521	2.3
207.11380	18.2
212.09209	4.3
213.09209	2.2
225.07622	5.0
225.12482	9.7
226.08026	11.2
229.05232	1.3
239.10555	1.9
242.05811	5.1
243.06622	1.6
253.08661	1.7
257.11392	9.0
258.11703	1.3
269.11414	72.2
270.11636	5.1
271.09744	13.2
313.14017	21.5
314.13748	37.8
315.08795	3.7
315.13904	4.6
358.12036	2.6
358.16144	42.0
359.07376	8.8
359.16718	3.8
369.73132	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	358.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22887	1.1
59.01377	36.6
60.01714	2.5
60.92580	1.2
61.98829	11.5
63.30556	1.2
69.03447	2.0
69.36595	10.4
71.01378	12.2
72.00916	3.4
72.99316	4.8
73.02945	1.3
74.02473	100.0
75.00864	6.6
75.02794	1.8
81.03492	1.3
82.02985	3.0
82.06627	2.8
83.01393	2.3
85.02990	1.4
87.00884	11.7
88.01223	1.4
88.04052	6.4
89.02441	5.4
93.03465	2.6
94.02985	2.6
96.00941	1.4
98.02480	88.9
99.00877	4.9
100.00426	3.6
101.02433	3.1
103.00384	3.7
107.05036	2.5
108.02183	3.2
109.02962	10.6
110.03283	2.2
111.03260	1.5
112.02802	1.4
112.04062	3.5
112.07691	3.3
113.02426	2.6
115.00372	2.0
116.03544	3.8
118.05097	11.9
118.98101	1.5
119.03504	2.0
119.05020	5.1
121.02946	3.8
123.00832	1.4
123.04536	5.5
124.04843	2.2
125.02519	2.0
125.03574	6.1
129.01938	3.3
129.10353	2.9
130.08746	2.7
132.03091	1.7
133.02956	2.3
133.06618	1.4
134.03703	4.5
134.06108	1.9
135.02992	1.5
135.04538	36.4
136.04004	2.8
136.04916	1.8
137.02409	3.3
137.05972	1.4
138.09312	1.5
139.08783	7.5
140.07167	5.2
140.10806	1.9
141.10321	4.9
143.04599	1.8
149.00900	7.5
149.02356	2.5
149.06079	4.4
150.09312	2.1
151.04034	4.9
152.04433	2.8
152.07205	2.6
153.01926	3.5
153.05553	4.1
154.02251	1.7
154.05972	3.0
155.08290	2.0
161.02374	1.7
161.06099	6.1
163.04030	2.4
164.04832	3.3
164.10814	2.8
166.08786	2.7
167.03438	1.7
168.10294	9.2
169.09772	6.1
179.03493	12.1
179.07071	2.6
179.11949	2.7
180.04276	1.8
181.09872	2.4
182.02159	1.2
185.09235	2.0
186.05565	1.6
189.10307	1.6
193.05022	1.9
194.08241	20.7
195.05101	7.5
195.06703	2.3
195.08362	1.6
196.05496	6.1
197.04509	3.3
197.08191	5.7
207.11368	12.6
212.09283	4.2
225.07616	8.2
225.12366	10.4
226.08049	17.9
239.10501	2.5
242.05832	4.6
242.18700	4.1
253.08614	2.3
257.11459	8.7
258.11737	1.5
269.11414	73.4
270.11853	7.7
271.09686	9.2
313.14038	21.4
314.13730	32.3
315.08844	3.8
315.13904	3.0
322.38876	1.6
341.12427	2.0
358.09363	6.4
358.16159	38.8
358.19952	3.3
359.07364	8.2
359.16568	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	357.2646
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
55.10394	0.1
57.03448	1.4
58.00585	0.1
59.01373	1.0
64.50559	0.1
71.05009	0.2
71.22357	0.3
80.26593	0.1
83.05038	0.3
93.07104	1.3
95.05016	0.3
97.06580	0.4
107.05080	0.1
109.03001	0.2
111.08096	0.1
121.02984	0.2
135.04504	0.2
156.28384	0.1
183.13884	0.2
225.18588	0.2
227.16533	5.7
228.16736	0.4
237.22122	0.2
249.22197	0.2
251.23779	0.2
265.21619	0.2
267.23303	2.0
268.23654	0.2
279.23395	0.2
291.23251	0.2
293.21231	0.2
297.24313	1.7
298.24640	0.2
309.24435	0.8
311.25961	0.2
327.25391	13.8
328.25778	2.0
334.35117	0.2
339.25351	2.0
340.25436	0.3
355.24829	0.4
355.48932	0.1
357.26447	100.0
358.26776	14.2
358.31467	0.3
365.61087	0.2
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
57.03458	1.0
59.01382	1.6
61.67163	0.6
66.72668	0.6
71.01391	0.8
71.31433	1.0
93.07111	2.6
97.06624	1.3
109.02962	2.1
121.02989	4.6
122.03315	0.9
125.46392	0.6
135.04550	1.0
153.59889	0.6
187.07655	1.0
227.16531	14.3
228.16934	1.4
297.24301	2.0
309.24585	0.7
313.18185	0.9
327.25403	15.5
328.25812	2.0
339.25418	2.5
357.06210	1.3
357.26474	100.0
358.26852	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	358.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42191	0.6
59.01379	9.5
62.86987	0.6
71.01396	3.0
71.62677	0.6
72.99306	2.5
85.02966	1.3
87.00879	4.9
89.02438	1.3
93.03470	0.9
97.02953	0.6
101.02429	1.1
103.00361	1.9
104.17238	0.5
108.08195	100.0
109.02962	1.3
109.08518	4.3
112.98787	0.7
113.02454	1.7
114.05640	0.8
119.03723	0.7
119.04962	1.4
120.04565	0.8
120.08192	2.6
121.02937	1.9
123.04543	1.2
130.08757	1.4
132.08173	1.2
133.02910	1.1
134.03802	0.8
134.06113	1.0
135.04536	5.6
137.02460	1.3
145.02948	1.6
146.03773	1.0
147.03258	8.0
147.04488	2.6
148.04065	1.8
148.07668	1.7
149.00929	5.0
151.03932	0.6
152.07172	74.2
153.07518	4.2
158.03629	0.7
159.04488	1.2
160.04039	0.8
161.02415	1.1
161.06081	0.8
163.04047	4.0
164.07156	1.4
166.08725	18.7
167.09074	1.7
172.22328	0.7
173.02429	1.1
173.06070	0.8
174.03206	3.6
175.03999	9.4
176.04817	4.0
176.07158	1.4
178.02754	0.9
179.03525	3.8
180.04298	4.3
183.13872	0.7
184.07686	0.6
187.08803	1.2
188.04712	1.4
189.05595	2.8
190.06380	8.9
191.07108	6.5
193.05031	4.3
194.05890	2.1
194.08195	9.3
195.08537	1.0
196.06149	58.2
197.04568	1.7
197.06493	2.9
200.07347	0.8
203.07191	1.1
205.08670	5.8
207.06598	2.3
208.07353	2.8
209.11847	1.7
211.13364	4.2
213.14978	2.4
223.13472	1.0
227.04645	4.1
238.07230	9.2
239.07497	1.1
241.09863	0.8
241.14404	6.1
243.07773	10.5
251.12909	3.0
255.07765	2.6
255.10146	0.7
259.13461	0.6
269.08942	0.7
271.10803	3.1
277.14505	1.2
287.06604	0.8
297.08923	1.4
298.09323	6.0
298.12521	0.7
299.09293	0.9
313.07089	0.8
315.09802	3.0
328.09161	2.0
343.11432	1.5
344.12650	2.2
358.10950	6.1
358.18500	0.9
359.08896	20.5
359.15033	19.9
359.20145	1.1
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	Unknow
Peak:m/z	Relative Intensity
57.03464	11.7
59.01379	50.7
61.98839	10.0
62.88725	9.3
71.62576	13.0
81.03477	18.1
82.35534	10.2
83.01376	33.6
83.04979	9.8
87.70367	8.7
88.41492	9.6
91.67839	9.0
97.06591	11.0
112.50816	9.5
121.02953	55.9
125.09699	62.0
135.04585	16.5
144.16907	9.3
155.10670	11.7
163.11301	18.9
191.10855	47.8
209.11830	57.1
211.13336	14.7
223.13528	16.6
226.12090	43.7
239.12794	10.0
241.14453	100.0
289.18134	11.5
324.46313	11.9
357.06018	12.5
357.26511	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03443	7.8
57.63602	0.7
59.01375	7.4
66.40920	0.7
66.92445	1.0
69.03450	2.6
69.54601	6.1
71.01379	3.0
71.04986	1.0
72.99296	2.0
75.00873	8.3
81.18507	0.8
83.01379	4.8
83.05050	1.2
85.02957	2.1
87.00879	2.1
89.02457	1.4
95.05028	1.2
97.06583	2.4
99.00876	1.4
101.02461	2.0
111.00885	11.8
111.08153	7.7
119.05067	1.4
128.03520	1.5
129.01945	12.2
134.03658	0.8
135.04520	2.0
135.08142	1.6
137.02338	0.8
137.09720	0.9
147.03000	15.4
149.00876	1.4
153.09151	1.5
163.03958	0.9
165.12846	82.3
166.13191	5.3
171.10243	2.4
181.12334	2.7
183.13892	100.0
184.14299	7.4
191.10809	1.7
197.15448	0.9
209.11852	10.4
216.97147	1.0
227.12880	81.6
228.13167	8.0
241.14470	1.3
267.12354	0.8
297.00323	1.0
336.10291	1.1
357.15591	9.6
357.22610	2.4
357.26492	12.8
358.15823	1.6
358.22833	1.2
358.26807	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03443	7.8
57.63602	0.7
59.01375	7.4
66.40920	0.7
66.92445	1.0
69.03450	2.6
69.54601	6.1
71.01379	3.0
71.04986	1.0
72.99296	2.0
75.00873	8.3
81.18507	0.8
83.01379	4.8
83.05050	1.2
85.02957	2.1
87.00879	2.1
89.02457	1.4
95.05028	1.2
97.06583	2.4
99.00876	1.4
101.02461	2.0
111.00885	11.8
111.08153	7.7
119.05067	1.4
128.03520	1.5
129.01945	12.2
134.03658	0.8
135.04520	2.0
135.08142	1.6
137.02338	0.8
137.09720	0.9
147.03000	15.4
149.00876	1.4
153.09151	1.5
163.03958	0.9
165.12846	82.3
166.13191	5.3
171.10243	2.4
181.12334	2.7
183.13892	100.0
184.14299	7.4
191.10809	1.7
197.15448	0.9
209.11852	10.4
216.97147	1.0
227.12880	81.6
228.13167	8.0
241.14470	1.3
267.12354	0.8
297.00323	1.0
336.10291	1.1
357.15591	9.6
357.22610	2.4
357.26492	12.8
358.15823	1.6
358.22833	1.2
358.26807	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.5
59.01369	6.3
62.86374	2.0
71.01383	1.8
71.10422	3.9
79.95692	2.2
81.03455	3.3
83.01404	10.6
83.05041	1.8
84.02156	3.3
87.49304	1.7
94.30200	1.9
97.06568	4.7
99.08160	6.0
109.02977	2.4
115.19908	1.7
116.95870	1.9
121.02950	12.3
125.09740	16.8
127.11236	2.7
135.04514	3.6
135.08165	2.2
139.11320	6.2
147.04536	2.2
157.12358	2.0
163.11299	2.2
165.12807	2.8
171.10243	4.1
179.03464	2.7
181.12329	3.1
191.10756	10.5
199.13374	17.4
209.11812	15.7
211.16985	4.7
226.12122	7.8
239.16528	20.1
241.14496	16.2
241.18146	2.5
242.14621	2.0
247.94351	1.9
257.17688	8.5
311.03070	1.8
327.25238	2.0
357.06110	2.2
357.16168	5.9
357.26465	100.0
358.22876	2.1
358.26886	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	357.1345
Annotation	Brosimacutin A
Peak:m/z	Relative Intensity
59.01384	4.9
62.80537	0.6
69.73717	2.8
69.74133	1.6
87.00890	1.6
90.27553	0.7
93.03486	0.7
98.20660	0.7
103.00347	0.6
109.02964	1.1
111.00904	0.7
119.05043	1.2
121.02950	1.5
128.44891	0.7
132.04556	1.7
134.03729	0.8
134.06102	2.9
135.00882	1.1
135.04509	1.8
136.01646	1.3
137.02437	1.7
147.04510	1.5
149.00900	1.1
149.02466	0.8
150.05548	1.2
151.03995	2.2
161.02429	0.7
162.05609	1.0
175.04008	5.1
176.04753	1.3
179.03534	1.2
179.07076	1.0
183.08174	1.0
185.06030	0.8
189.05696	0.8
190.06352	3.6
194.07320	0.9
197.35106	0.6
199.07738	1.1
200.04756	0.9
203.07161	1.6
209.06117	3.8
210.06865	2.1
211.03966	1.0
211.07562	1.3
212.08325	2.7
213.05586	2.9
221.06071	1.3
222.05293	5.7
224.04706	1.0
225.05618	1.2
225.11307	0.8
227.07196	5.6
228.07829	2.6
231.06598	1.1
235.04176	0.9
237.05568	4.9
238.06326	6.9
239.07143	5.2
240.07971	3.2
241.05072	1.3
241.08464	0.9
243.06517	1.0
243.10211	0.8
244.07454	1.1
248.04887	1.7
249.05481	2.0
250.06409	1.6
251.07021	1.3
253.05037	1.9
253.08704	2.8
254.05820	2.1
255.06628	6.0
255.09096	0.9
255.09955	0.8
256.03427	0.8
256.07401	6.6
257.08026	1.8
259.06122	5.8
260.06717	1.3
264.04205	1.1
265.05032	3.1
266.05792	3.4
267.03125	1.4
267.06604	8.5
268.07382	19.0
269.07858	2.9
271.09775	2.1
277.05023	3.1
278.05881	0.7
279.06573	1.2
279.11411	1.6
281.08163	2.0
282.05246	1.9
282.08591	0.7
283.06165	5.5
283.09744	16.1
284.07019	9.2
284.10052	1.9
285.07239	1.8
291.06659	1.3
293.04495	1.9
294.05289	4.8
295.06146	4.7
296.06897	3.7
297.07654	9.4
297.12509	2.2
298.08328	1.9
299.09232	13.0
300.09613	1.8
308.10364	1.1
309.07654	7.2
310.08060	1.0
311.05585	1.7
311.09143	1.6
312.06409	35.7
312.09799	1.7
313.06741	4.4
313.10718	2.9
324.10080	6.6
327.08755	80.2
327.12231	4.5
328.09082	9.4
339.12369	21.8
339.16495	1.2
340.12646	2.9
341.10352	1.3
342.11072	78.8
343.11389	9.7
357.13425	100.0
358.13803	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	357.0616
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.55617	0.3
59.01365	0.4
69.36073	2.3
72.54948	0.3
77.04021	0.3
77.15461	0.3
93.03456	0.4
97.60124	0.3
121.02955	100.0
121.31340	0.2
122.02478	0.5
122.03283	5.1
157.72496	0.3
165.01921	1.0
180.05806	2.0
181.06572	6.9
182.06923	0.5
225.05550	5.6
226.05936	0.7
269.08124	0.4
279.23306	0.3
291.23334	0.6
309.24377	0.4
313.07156	8.3
314.07452	1.1
327.25397	2.3
339.25262	0.6
357.06143	31.0
357.26447	15.0
357.29922	0.2
358.06439	4.2
358.26764	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.098
Annotation	porphyrin-5,10,15-triol
Peak:m/z	Relative Intensity
59.01383	5.1
69.36275	1.6
69.36681	5.1
71.01382	2.2
85.02958	1.3
87.00880	2.6
87.99716	0.7
89.02460	0.8
90.64075	0.7
91.01898	3.6
93.03471	5.6
96.99313	5.5
98.19907	1.4
101.02457	1.9
106.06599	0.8
108.02169	2.0
109.02962	1.3
117.03471	2.2
119.05027	18.2
120.05365	0.8
121.02956	2.1
123.04523	9.4
124.01649	1.2
130.04242	0.9
131.05020	2.7
133.02962	3.8
134.03748	17.9
135.04568	5.8
136.01651	1.3
137.02382	0.9
143.05026	11.3
144.05405	0.9
145.02994	4.3
146.03737	5.9
147.04483	2.9
148.01636	1.3
148.05334	1.4
149.00873	2.1
149.06061	2.3
150.05513	1.1
151.04002	0.8
158.03760	3.7
159.04524	8.7
160.04866	1.1
161.02368	0.8
161.04671	1.4
161.06076	3.5
162.03194	0.7
163.04030	6.8
171.04503	0.7
171.10300	2.0
173.04703	0.8
173.06088	2.7
174.03223	1.4
175.04047	1.7
178.02707	1.5
179.03568	1.6
179.07249	0.9
180.07932	0.8
187.04010	1.0
193.05042	4.8
195.10190	0.8
207.10295	0.7
224.13008	0.9
226.06364	3.6
236.08260	1.0
237.05440	0.8
238.06302	0.9
241.08676	2.7
249.00014	0.7
250.06348	1.4
251.07123	18.8
252.07829	8.5
253.08640	8.0
254.09447	3.5
263.07077	1.1
265.08728	1.4
267.10184	1.3
269.11884	1.1
279.06653	7.1
280.07382	13.3
281.07809	2.0
295.09756	11.2
295.12872	1.0
296.10165	1.3
313.10822	5.1
314.11121	1.0
323.16083	2.0
324.06305	1.4
339.08752	6.2
340.08972	1.0
340.18625	1.2
351.81323	0.7
357.09787	100.0
358.10074	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	356.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53786	1.8
61.98829	100.0
71.62029	1.9
121.02926	4.0
122.03101	1.8
327.17026	2.0
357.20911	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	356.1715
Annotation	3'-Acetylindicine N-oxide
Peak:m/z	Relative Intensity
57.03445	1.8
58.02980	1.2
59.01378	3.4
74.02473	1.5
82.02969	1.1
82.88033	0.8
83.05021	0.8
84.04543	4.5
85.02937	0.6
85.06600	0.8
87.00803	0.7
100.07683	3.2
102.05610	59.2
102.87405	0.5
103.05943	0.9
116.29088	0.6
128.03537	100.0
129.03883	2.9
146.04590	10.5
157.10744	0.6
165.12828	11.2
181.12498	0.8
182.15456	0.9
183.13890	36.6
184.14209	2.6
208.17111	1.1
209.11800	1.9
222.18565	1.7
224.20181	1.5
227.12871	31.4
228.13228	3.0
250.18135	4.0
257.17630	1.6
268.19092	3.2
294.17215	1.5
312.18048	1.0
320.14972	1.1
338.16080	11.0
338.19940	0.5
356.17126	83.9
356.24872	2.1
357.17456	10.6
357.26608	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	356.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52129	67.5
54.35785	58.2
59.01375	84.9
59.51174	55.4
85.95251	74.8
121.02944	100.0
140.86642	60.9
214.70844	61.6
229.72055	85.2
296.06937	73.1
357.29990	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.7
59.01375	2.1
62.60991	0.8
73.94950	0.8
83.05019	1.0
84.99322	3.1
93.07064	2.1
97.06592	0.9
98.20733	1.5
112.98811	44.5
113.99165	1.5
121.02959	69.1
122.03258	2.0
135.04536	4.5
147.06908	0.9
154.58688	0.9
163.04019	11.2
164.04425	1.1
206.09114	0.9
218.03622	0.9
227.16499	11.4
267.23245	1.5
327.25433	10.6
339.25369	2.5
357.26468	100.0
358.26736	7.2
374.61710	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1876
Annotation	Thiocyanatin A
Peak:m/z	Relative Intensity
57.03429	0.7
58.02977	8.5
59.01368	2.0
62.65696	0.4
69.03434	0.5
69.22495	0.4
71.01371	0.9
71.31985	0.7
72.00879	0.6
72.64917	0.5
74.02470	1.8
82.02983	2.2
83.06148	3.6
84.04539	6.2
87.00874	0.6
97.04053	0.9
97.06554	0.5
98.02465	0.9
99.05646	0.5
101.07204	7.2
107.02504	1.1
109.04071	8.1
111.08160	1.1
124.02773	0.6
125.03577	2.0
125.07183	0.9
127.05138	60.8
128.03542	24.4
128.05475	1.9
129.03897	0.6
145.06192	44.3
146.06567	1.3
152.23251	0.5
163.11385	0.6
165.12837	14.8
166.13142	1.4
179.10783	0.6
182.15492	9.5
183.13950	0.7
183.15829	0.8
208.17030	1.4
209.11818	2.3
210.15001	1.7
222.15067	1.0
227.12924	1.5
247.17975	0.7
249.19716	20.4
250.20029	2.1
267.20959	0.7
293.18683	5.2
311.19745	4.8
312.20148	0.7
319.16522	0.9
320.14874	0.7
335.51831	0.5
336.45242	0.6
337.17694	23.1
338.18121	2.8
355.18729	100.0
356.19046	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	355.2279
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01384	1.4
59.84103	0.9
69.91748	3.0
69.92158	2.4
107.05054	1.0
109.02954	2.2
111.00910	1.5
121.18395	1.0
122.03735	7.0
123.07562	0.9
127.07647	2.0
135.04527	28.3
136.01646	2.8
136.04919	1.5
147.08159	2.6
149.06064	1.4
149.09694	6.3
151.07645	3.3
154.02698	3.0
161.09712	8.4
163.07629	2.9
163.11292	51.9
164.08421	16.8
164.11629	3.4
165.09195	9.3
166.09496	1.2
177.09206	69.5
178.09973	19.8
179.10770	76.1
180.11139	5.2
183.10257	2.8
187.11319	1.2
191.10768	10.2
191.14403	0.9
192.11046	1.3
193.08705	12.8
207.16998	0.9
265.12186	1.6
280.14801	2.8
283.13272	0.9
298.15735	54.4
299.16119	5.7
299.76538	0.9
307.17078	2.0
309.22064	2.0
313.22000	0.9
313.25601	1.0
321.18631	1.0
322.19537	1.5
337.21729	50.7
338.22101	7.6
340.20419	79.9
341.20731	12.9
355.22800	100.0
356.23126	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	356.0985
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
56.85412	0.3
59.01373	3.7
71.01384	2.2
72.99335	0.6
73.02947	0.5
75.00877	0.7
78.95776	0.4
85.02955	1.7
87.00871	0.9
89.02438	0.7
93.03468	0.4
95.01410	0.4
95.80686	0.3
98.20628	0.8
101.02448	1.2
106.06628	100.0
106.50487	0.3
107.06961	4.4
108.08194	5.9
109.02944	0.9
109.08536	0.3
113.02460	1.6
118.06631	0.8
119.05025	1.0
120.08212	0.8
121.02958	1.1
123.96729	0.3
128.03525	1.5
129.03502	0.7
130.06630	0.5
130.08749	0.8
131.03726	1.8
132.04527	0.5
133.14207	0.3
134.03717	1.7
135.04221	1.1
136.98705	0.4
137.02487	0.5
145.02931	1.5
146.03754	2.6
146.06139	0.6
147.04527	6.7
149.00883	0.4
149.02403	0.4
149.06065	0.4
150.05606	52.0
151.04080	0.4
151.05981	3.2
161.02423	2.1
161.04495	0.5
162.03284	1.8
163.04021	0.5
164.07164	9.1
164.08533	0.5
174.05612	0.8
175.04137	0.4
176.04776	1.1
179.03445	0.5
179.05603	1.0
180.06139	0.8
180.07932	1.4
192.06664	6.4
193.05057	1.1
193.06934	0.5
194.04559	26.0
195.04884	2.5
195.10306	1.4
206.08336	0.3
213.86719	0.3
225.11346	0.5
227.70119	0.3
236.05620	4.6
237.05865	0.4
255.06555	0.5
266.06760	0.5
283.06140	0.8
296.07758	3.8
297.07928	0.6
298.08517	1.5
313.10840	5.2
327.08682	0.9
342.11002	0.6
353.31274	0.4
356.09891	8.1
357.10016	1.0
357.16037	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92353	1.0
59.01380	18.0
71.01391	1.2
71.02444	1.1
71.62157	1.1
72.99313	1.7
73.02927	1.3
81.04010	1.0
87.00878	26.1
93.50029	1.1
97.06589	1.2
99.53284	1.1
103.00365	5.9
105.01945	1.0
108.33543	1.1
112.98840	1.6
119.04998	1.6
130.99872	3.5
134.03833	1.5
135.04504	2.5
135.11784	16.1
149.00929	12.1
152.99524	1.1
161.09711	1.4
179.03526	1.6
179.10776	100.0
180.11107	6.9
182.48976	1.0
223.06172	2.5
223.09763	52.5
224.10069	4.5
295.10904	1.4
297.03748	1.2
307.24411	1.2
340.09384	1.1
355.10757	2.2
355.24805	7.4
364.23459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.9
69.43186	4.6
69.43607	2.5
69.78062	1.0
90.37288	0.8
98.20572	1.4
107.05016	2.1
108.02190	2.3
109.02930	2.4
109.06592	3.4
121.02942	3.6
122.03745	4.9
123.00901	1.5
124.01681	5.4
125.02491	1.5
133.03035	1.2
134.03752	8.3
135.04509	4.1
136.01654	3.7
137.02443	1.7
138.03236	3.3
139.03954	2.6
147.04532	8.3
148.05327	8.5
149.02463	3.3
150.03229	61.6
151.03748	3.8
159.04533	2.0
159.11760	1.8
162.03195	1.6
163.04007	2.8
165.05566	37.0
166.05919	2.1
171.10358	1.0
173.06110	2.4
175.04024	1.0
177.05713	1.6
177.07629	1.4
177.09207	27.9
178.09560	2.1
183.01147	1.2
187.07669	1.9
188.08435	2.0
189.09195	24.7
190.09557	1.4
202.06297	2.1
203.10771	100.0
204.11157	7.6
215.10716	2.8
217.08685	1.7
227.07103	0.9
271.06104	3.2
283.06281	1.0
284.06583	1.0
296.14145	1.0
297.07690	4.2
323.12848	2.0
325.10791	1.9
340.13187	5.3
341.13531	1.1
355.15491	94.3
355.19122	3.6
355.24454	5.8
356.15811	15.5
356.20093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41411	0.4
57.08122	0.4
70.63966	1.1
70.64295	0.4
74.58269	0.5
84.44655	0.4
88.33430	0.6
91.05526	0.6
95.01402	1.1
97.79179	0.5
108.02181	1.6
109.02993	2.8
121.02953	4.4
123.00858	2.5
123.04512	0.8
124.01667	5.2
125.02452	2.2
133.02988	1.0
134.03741	10.1
135.04526	6.1
136.01643	2.2
137.02434	1.9
138.03233	2.9
139.04013	3.4
147.04510	5.3
147.08144	1.4
148.05310	9.9
149.02438	6.6
149.05630	0.5
150.03229	57.1
151.04010	3.9
152.04784	1.2
159.04497	1.5
160.05290	2.2
161.06058	1.6
162.03220	1.3
163.04031	5.2
164.04764	1.1
165.05569	24.5
166.02660	0.5
166.05898	1.9
173.06064	1.5
175.03865	0.7
175.07658	2.2
177.05553	1.5
177.09210	26.4
178.09549	1.8
183.01230	1.3
187.07651	3.6
188.08415	3.5
189.09204	20.5
190.09561	1.7
201.09222	1.4
203.10776	85.9
204.11096	7.2
209.02916	0.5
215.10780	2.6
217.12395	1.0
253.05048	0.8
256.03873	1.2
271.06146	5.1
279.06589	0.6
285.07773	0.9
286.08450	3.4
289.18204	0.6
297.07663	4.2
298.07993	0.5
299.09656	0.6
323.12823	1.9
325.10498	2.5
339.12170	0.6
340.13159	7.2
341.13675	0.6
355.15509	100.0
355.18970	3.5
356.15823	15.1
356.20120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01382	19.3
71.01382	9.6
72.99295	1.2
73.02953	1.4
83.01373	1.5
85.02969	4.5
87.00893	4.4
87.01381	0.7
89.02449	4.7
93.03453	0.8
95.01374	1.0
96.95951	0.8
101.02454	3.8
103.00383	1.3
109.02956	2.2
111.00928	1.0
113.02454	4.1
115.27487	0.7
117.03442	1.2
119.03506	1.1
119.05011	3.1
121.02964	1.2
123.04511	1.4
128.84259	0.7
129.01944	1.1
132.02179	12.6
133.02930	1.0
134.03745	22.7
135.04375	1.4
137.02441	0.9
145.83644	0.7
147.04524	1.9
149.00909	1.9
149.02451	2.5
149.06096	5.5
150.03178	1.2
151.04007	40.4
152.04361	2.6
160.01662	69.3
161.02011	4.6
161.04616	1.2
163.04008	4.6
174.01724	0.7
174.03180	0.9
175.04002	100.0
176.04396	6.7
177.01837	0.9
178.02686	1.6
179.03618	0.7
179.05608	1.2
191.07155	4.6
193.05049	33.8
194.05411	1.6
202.02663	1.1
207.06532	0.9
208.03777	1.2
209.06645	5.3
217.05026	5.6
223.06091	5.2
229.11978	0.8
235.06099	7.8
265.07214	2.0
267.06638	0.9
295.08261	7.6
295.94897	0.7
311.05551	1.0
355.04599	2.3
355.10361	8.8
355.17361	0.8
356.10083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	2.6
59.01381	100.0
60.01717	1.3
69.38278	2.6
69.38686	7.7
72.99319	7.6
79.42476	1.0
86.55843	1.0
87.00879	53.1
88.01242	1.2
92.77024	1.0
96.25997	1.0
99.00796	1.1
103.00370	50.1
104.00710	2.1
104.05077	6.7
106.06632	5.8
108.04574	2.0
112.98812	8.7
119.05074	1.0
121.03052	1.3
130.99869	23.1
132.04562	15.4
134.06134	36.7
135.04559	1.7
135.06517	1.6
135.11801	5.2
138.25079	1.2
144.04539	3.0
145.85153	1.0
148.04030	2.1
149.00919	14.6
149.02132	1.5
158.06123	2.1
160.01726	1.3
160.04076	5.5
163.03983	1.2
175.04037	1.1
176.03494	2.2
179.10777	32.5
180.11162	2.3
183.95328	1.0
188.03529	2.5
207.09215	1.3
208.06064	2.0
217.74637	1.1
221.07407	1.2
222.08559	1.0
223.06155	4.3
223.09782	14.6
223.12157	1.9
224.10234	1.4
250.44858	1.2
251.11801	10.3
252.12279	1.8
253.09845	2.1
263.08517	1.5
267.11456	2.7
277.10068	1.4
279.11392	16.1
280.11661	1.3
295.10867	7.7
296.11218	1.5
323.10364	20.0
324.10699	1.9
337.12091	5.0
355.13071	49.1
355.24939	12.2
356.13229	6.9
356.25403	1.7
377.15979	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46303	0.7
53.55300	0.6
59.01371	5.9
69.67999	4.4
69.68349	0.8
71.01366	1.2
84.77715	0.6
85.41615	0.6
87.00885	1.6
93.03480	0.9
103.00363	1.0
113.02486	0.7
121.02963	1.8
132.02174	2.7
133.02962	1.2
134.03743	61.2
135.04094	2.4
137.02452	7.9
139.03989	2.6
149.02452	2.2
149.06082	15.3
150.03133	0.8
150.06398	1.2
151.85309	0.7
160.01662	17.5
161.01970	0.9
163.03828	0.6
164.04741	1.4
175.04004	23.6
176.04497	1.4
178.02715	33.6
179.03059	1.6
193.05054	100.0
194.05368	8.1
208.03740	2.0
217.05023	0.9
221.44165	0.7
223.06155	7.4
226.42252	0.6
228.78308	0.7
235.06114	1.6
355.10233	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27745	0.7
51.19980	0.8
51.20242	0.7
58.00593	1.0
59.01380	26.2
59.60123	0.7
64.15213	0.8
69.67680	4.1
71.01385	4.6
72.99313	1.3
87.00877	6.9
89.02451	3.5
101.02421	1.9
103.00368	6.0
106.91353	0.7
111.96700	0.8
112.98832	0.8
113.02468	2.0
115.81902	0.6
119.03448	1.1
121.02962	2.4
130.99857	1.8
132.02179	14.6
134.03741	10.7
135.04456	1.0
147.04570	0.9
149.02448	11.1
149.06068	1.9
152.01158	2.0
160.01666	67.2
161.00891	0.8
161.01961	4.6
163.03984	2.0
164.04797	9.2
175.04005	100.0
176.04362	7.6
179.07144	1.8
191.07167	2.3
193.01381	4.9
193.05048	18.2
202.02818	1.0
207.06641	1.1
208.03738	10.1
209.04195	1.0
217.04993	6.7
218.05429	0.8
223.06108	36.9
224.06496	3.1
235.06102	3.1
254.69667	0.8
295.08109	2.1
324.27420	0.9
355.10355	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	355.1034
Annotation	Gentiopicrin
Peak:m/z	Relative Intensity
58.98159	0.9
59.01389	7.7
61.98841	1.2
70.73064	1.1
70.73390	2.5
71.01383	14.7
73.02952	4.4
83.01373	2.0
83.38470	1.3
85.02961	7.9
87.00866	3.0
95.01412	1.3
99.00867	2.1
101.02450	7.7
103.00381	1.9
106.04243	12.1
107.04581	1.0
109.02943	1.4
113.02448	7.2
121.02927	2.2
128.58102	1.1
133.02940	1.7
134.03745	100.0
135.04114	4.6
137.02432	4.7
139.04066	1.1
149.02486	6.8
149.06084	57.7
150.06387	2.9
151.03960	10.7
157.09225	1.1
160.91801	1.2
161.04539	2.8
163.04019	1.6
164.04765	3.9
166.80135	1.1
174.01672	2.1
178.02747	12.8
193.05049	84.3
194.05385	3.7
208.03842	2.6
223.06120	9.4
294.45193	1.1
309.41821	1.1
312.18286	1.1
313.08984	1.1
336.28140	1.1
355.10287	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	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80511	0.9
58.07595	0.8
59.01365	5.5
60.34496	0.8
65.57761	0.8
67.75486	0.8
71.01369	3.9
72.99316	1.5
73.02950	2.3
75.00887	2.5
81.03462	2.5
83.01374	0.8
85.02943	5.3
87.00882	5.3
89.03979	1.5
90.89340	0.9
99.04549	1.5
113.02435	0.9
117.03467	11.0
119.05034	5.2
124.10663	0.9
129.01938	2.5
133.02972	1.1
134.03741	87.4
135.03162	0.8
135.03986	4.7
137.02396	1.7
143.03528	1.0
145.02898	1.2
149.00940	1.0
149.02301	1.4
149.06097	5.9
151.03966	1.5
159.04482	0.8
160.01653	1.3
161.02483	4.1
161.04564	3.6
161.05937	0.8
163.04008	6.8
165.00049	1.1
178.02698	1.9
179.05630	5.7
191.05600	1.6
192.99664	7.0
193.05057	100.0
194.05376	6.6
200.55446	0.9
209.06656	10.3
217.05072	0.8
223.06120	1.6
253.05006	0.8
268.07480	1.0
355.10452	5.3
376.32736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
58.00595	4.2
59.01381	100.0
60.01722	1.5
71.01374	2.3
71.62935	1.5
72.99313	8.8
73.02937	1.2
83.05039	1.6
87.00877	58.0
96.59131	0.9
97.88998	1.1
103.00375	57.4
104.05080	2.9
105.01923	1.5
106.06631	3.7
108.04581	1.5
112.98793	7.9
118.87585	1.0
119.05006	1.4
121.02945	1.3
130.58238	1.0
130.99870	19.1
132.04553	9.1
134.03720	1.7
134.06123	20.0
135.04535	3.7
135.11807	7.6
144.04491	2.3
148.04074	2.5
149.00914	22.2
149.02412	4.9
158.06087	2.0
160.04042	3.7
161.02536	1.2
163.03976	1.7
164.04819	5.4
165.05659	1.3
175.03951	2.4
176.03510	1.1
179.03493	1.6
179.10768	43.3
180.11198	2.8
188.03450	1.4
193.04996	2.7
197.68436	1.0
208.03728	1.4
208.06117	1.1
219.02943	1.5
223.06186	10.4
223.09744	14.4
223.11946	1.8
249.10124	1.4
251.11909	7.6
253.09715	1.3
279.11349	9.3
280.11746	2.0
294.09879	1.0
295.11060	5.5
323.10361	14.0
324.10489	1.5
325.07043	1.1
325.24002	1.2
337.12006	3.0
355.13159	32.0
355.24854	21.6
356.13245	4.2
356.21115	1.3
356.25290	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	353.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.9
56.76165	0.9
57.01849	0.8
57.03452	4.0
58.00607	1.4
59.01379	32.6
71.01385	41.5
71.34422	1.1
71.34760	1.2
72.99290	1.4
73.02948	26.0
75.00860	1.1
81.31956	0.8
83.01391	10.3
85.02950	21.0
87.00862	2.2
88.99949	0.9
89.02450	10.0
95.01398	3.5
97.02934	1.6
99.00887	9.0
101.02444	39.9
102.02742	1.0
110.06124	2.1
113.02447	19.0
115.04034	0.9
119.03516	1.8
125.02407	2.1
131.03517	3.6
138.05605	6.2
143.03519	1.3
149.04602	1.7
159.02965	2.8
160.00838	1.0
161.04568	16.3
176.05684	0.9
182.04422	0.9
184.06195	1.6
191.05592	3.5
221.10300	100.0
222.10660	6.9
233.06842	4.3
293.11627	1.1
353.14523	69.6
354.14804	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	353.2123
Annotation	Guayulin B
Peak:m/z	Relative Intensity
52.96911	0.1
59.01374	0.2
70.27537	0.2
71.62282	0.2
71.62643	0.2
71.64781	0.1
79.95755	0.8
94.98141	0.1
96.96014	7.2
100.03202	0.1
107.05043	0.3
113.41448	0.2
122.97582	0.3
129.15236	0.1
147.08156	0.3
161.06081	0.4
163.11288	100.0
164.11613	7.3
177.09209	76.5
178.09534	5.8
187.43771	0.2
194.05797	0.3
209.15187	0.1
222.09047	0.7
269.06729	0.2
282.02826	0.2
353.21170	98.7
354.21530	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39355	0.8
57.03448	11.4
57.26368	0.9
58.02960	1.2
59.01368	6.7
59.90982	0.9
61.20364	0.9
66.09821	0.9
71.01384	3.0
71.05018	33.9
72.62382	0.9
73.02956	1.5
83.05027	3.4
85.02947	2.7
85.06585	3.1
86.76051	1.0
87.00873	2.0
87.04513	38.3
88.04847	1.2
89.45467	0.8
95.78415	0.9
96.95965	2.0
97.06587	1.7
99.04531	1.3
101.06062	1.6
109.06599	1.8
111.08161	5.8
112.98849	1.3
119.05049	1.3
123.08144	1.0
125.09687	1.8
137.09702	5.8
139.11288	3.9
141.09198	1.2
141.12843	21.9
146.54709	1.0
151.11295	3.6
153.12863	7.7
155.10762	2.5
164.07010	0.9
166.52620	0.8
169.12315	6.1
177.12854	5.6
181.12312	2.1
183.13882	14.4
184.14120	1.1
191.05673	1.1
193.15898	1.6
221.11852	4.7
221.19075	9.1
222.19595	1.0
223.20541	1.4
227.16524	1.3
230.49623	1.2
233.19044	4.5
251.07240	1.6
251.20137	6.4
252.20447	1.6
265.21738	27.8
266.22021	3.3
273.22269	1.1
291.23227	3.1
309.24332	26.3
309.27774	1.9
310.24780	3.7
338.07977	2.3
353.10281	2.0
353.14191	3.6
353.23309	100.0
354.23624	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	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15707	0.6
52.86972	0.7
58.00591	1.0
58.08809	0.8
59.01379	33.6
69.90611	1.2
69.91020	2.0
71.01386	4.9
72.99316	1.4
73.52270	0.7
85.02937	1.0
87.00876	11.0
89.02455	3.3
95.01372	0.8
98.20585	0.8
101.02446	1.9
103.00372	8.2
104.27627	0.6
112.98833	0.9
113.02442	2.2
117.03463	0.7
119.03542	1.2
121.02953	3.1
130.99850	2.9
132.02176	16.4
133.02477	0.7
134.03725	9.8
135.04535	1.3
147.04529	1.7
149.02441	16.8
149.06070	2.1
150.02737	0.8
151.04089	0.9
152.01146	2.3
160.01659	69.6
161.01968	3.2
163.04037	2.9
164.04791	11.8
165.01776	0.9
165.05095	0.9
172.41852	0.8
174.03270	0.9
175.04001	100.0
176.04369	7.3
178.02577	0.8
179.07123	2.8
191.07173	1.8
193.01422	7.8
193.05063	19.2
194.05363	1.6
202.02719	1.2
206.05699	1.0
207.06581	0.7
208.03769	15.5
209.04018	0.8
217.05070	5.9
223.06110	51.8
224.06425	2.9
225.43985	0.7
235.06146	2.5
243.10405	0.7
261.84091	0.7
289.84286	0.8
295.08319	2.2
355.10266	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	353.1028
Annotation	Viridiol
Peak:m/z	Relative Intensity
50.40068	0.4
53.16007	0.5
53.48279	0.4
59.01369	2.3
71.62284	0.7
73.02947	0.5
78.39210	0.4
81.15422	0.4
87.00877	1.6
90.42719	0.5
98.95685	0.5
117.03452	1.1
119.05053	3.6
120.05443	0.5
121.02962	0.6
132.02217	0.8
133.02928	1.1
134.03723	1.9
135.04529	0.7
141.26082	0.5
145.02968	4.1
147.04530	1.0
149.06076	0.9
159.04546	0.6
160.05254	0.6
161.02446	0.5
163.03998	1.3
179.03450	0.6
179.08699	1.1
180.05775	0.7
191.08627	0.7
192.04272	0.7
193.05069	2.8
193.06625	0.8
195.08145	3.9
196.08522	0.7
205.06630	1.5
206.07330	3.8
207.06323	0.8
207.08151	12.1
207.10133	0.6
208.05281	1.3
208.08545	1.2
209.06099	5.2
211.04041	0.8
211.07674	0.5
217.06644	1.0
219.08177	1.3
221.06076	1.4
222.06853	2.8
223.07616	11.7
224.04741	1.2
224.07973	1.4
233.06046	4.3
234.06821	6.0
235.07629	15.1
236.04628	0.5
236.08041	2.3
237.05518	1.4
237.09138	1.2
238.09955	1.1
240.03946	0.5
245.06055	1.9
247.07564	1.2
248.04752	0.5
249.05658	1.2
250.06357	5.4
251.07127	70.8
252.07436	8.0
253.05054	0.8
261.05511	3.4
262.06317	8.1
263.07126	25.0
264.07843	13.3
265.05600	0.7
265.08466	3.3
266.09311	1.0
267.06616	3.8
276.08023	1.0
277.05200	1.1
277.08685	4.8
278.05826	2.8
278.09448	3.7
278.34671	0.5
279.06631	67.1
280.06989	7.9
282.08948	3.3
292.07559	0.7
293.08176	5.9
294.05304	1.3
294.08960	22.6
295.06128	33.8
295.09229	2.2
296.06470	3.3
297.07782	0.8
306.05383	1.8
307.06107	14.2
308.06735	4.8
309.07629	2.2
309.11411	3.1
310.08441	7.8
311.08868	1.1
321.07605	6.6
321.39279	0.5
322.05191	0.8
322.08447	26.2
323.05621	74.7
323.09042	8.0
324.05972	9.6
324.09546	0.9
337.03964	0.3
337.07159	11.7
338.07953	78.8
339.08282	10.3
353.10297	100.0
354.10657	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	353.1395
Annotation	Gancaonol C
Peak:m/z	Relative Intensity
51.58563	1.0
52.70287	1.0
59.01374	3.4
65.49875	1.2
73.13962	1.2
95.01412	1.8
98.20650	2.6
109.02959	2.4
113.54004	1.1
120.11621	1.1
123.00875	6.2
124.01649	4.7
124.53339	1.0
125.02454	3.4
136.01657	3.1
137.02411	1.7
149.02446	2.7
150.03224	6.2
159.04527	6.8
161.02379	1.9
163.03983	2.5
173.06096	2.1
175.04036	2.8
175.07695	1.2
183.01242	4.0
187.07558	1.2
191.05594	1.5
191.55357	1.2
197.06000	1.8
201.09274	2.2
209.06041	1.3
213.09352	1.4
225.05583	2.8
239.03601	1.2
241.05019	2.6
249.05583	2.0
255.06810	1.6
265.05042	2.3
268.07104	1.1
269.04550	8.9
270.05392	1.2
280.03741	2.0
281.04608	1.6
282.05307	2.6
283.06094	27.4
284.06650	5.7
295.06122	35.0
295.09705	3.4
296.06393	3.0
310.11926	1.7
321.11206	2.8
323.09189	9.3
324.09995	1.2
337.10880	2.7
338.08331	1.3
338.11597	98.5
339.11868	14.1
353.13956	100.0
353.17859	9.0
354.14224	13.3
354.17755	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1395
Annotation	Gancaonol C
Peak:m/z	Relative Intensity
51.07742	1.2
52.66721	1.3
59.01367	3.3
70.02734	5.2
95.01398	2.1
99.38815	1.3
121.02963	2.7
123.00902	7.1
124.01732	3.2
125.02450	13.0
133.02979	4.2
135.04552	2.9
137.02437	1.8
149.02477	4.6
150.03259	6.3
159.04536	3.4
161.02473	2.9
163.04047	2.1
171.04497	1.5
183.01183	14.5
191.05612	1.8
197.06071	1.7
201.09286	1.7
202.86719	1.4
221.06171	1.8
225.05486	2.5
237.05498	2.0
239.07201	5.6
241.05272	1.5
249.05656	2.9
255.06662	5.2
265.05121	2.1
267.06647	3.4
268.03824	3.5
269.04581	5.8
270.05048	1.6
277.05011	3.5
280.03903	3.0
281.04514	2.9
282.05319	2.0
283.06094	24.6
284.06680	5.6
293.11569	1.4
294.12698	1.6
295.06116	57.7
296.06525	6.1
321.11493	2.7
323.09283	4.5
338.11609	70.9
339.11835	9.4
353.14001	100.0
353.18027	22.7
354.14307	16.6
354.18106	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	351.1238
Annotation	Alisiaquinone A
Peak:m/z	Relative Intensity
50.10537	0.6
57.00078	0.7
59.01371	2.7
90.86033	0.6
92.56684	0.7
96.96014	1.5
101.43472	0.7
106.17688	0.7
132.02162	1.0
154.68501	0.8
158.23167	0.6
173.02287	1.0
173.69098	0.7
187.99648	0.8
188.01160	8.7
200.01096	4.4
209.05925	0.8
221.06042	0.7
223.03905	0.8
225.05597	2.3
237.05592	3.0
243.06662	0.9
249.05571	1.0
251.03401	0.8
252.04286	0.8
253.05051	2.4
265.04907	1.5
268.07401	1.0
280.03781	2.5
281.04587	6.2
282.04721	0.7
292.03873	1.8
293.04553	45.4
294.04919	5.5
295.06000	1.5
296.06906	2.4
307.06207	1.4
307.09656	0.7
321.07629	0.9
328.05798	3.8
329.05988	1.0
335.09259	2.2
336.10037	36.4
337.10254	5.2
351.12381	100.0
352.12671	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	351.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01708	1.4
71.01372	1.1
79.44930	0.9
101.02408	2.0
126.85009	0.8
135.04550	1.4
167.38126	0.9
229.09636	0.9
230.45033	0.9
239.21260	0.9
270.94556	0.8
274.48819	0.9
291.18149	1.9
351.21869	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	3.0
85.10819	1.0
133.39735	1.0
137.06055	1.6
162.63364	1.3
165.09213	2.5
182.71237	1.1
217.16235	1.1
250.35347	1.1
258.20697	1.3
289.25253	1.7
333.24353	100.0
334.24756	16.8
351.21451	1.8
351.25397	20.4
352.25677	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28549	0.6
59.01328	0.6
64.53871	0.5
70.58615	0.6
71.38681	1.3
96.95975	1.4
108.06950	0.6
109.89177	0.6
116.83650	0.5
123.04504	0.7
137.06004	1.5
165.09146	1.7
165.12781	0.7
207.13853	0.6
231.17505	0.6
245.19112	1.1
245.28496	0.7
289.25333	2.3
291.40109	0.5
294.10809	0.6
315.23196	0.7
333.24341	100.0
334.24725	16.2
335.40854	0.6
351.25397	19.4
352.25647	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43198	0.6
59.01379	100.0
59.80858	0.7
60.01715	1.3
69.03466	1.4
69.30555	3.2
69.30984	4.6
71.01371	4.3
73.02932	1.0
85.02969	1.4
87.00877	2.5
89.02463	3.1
99.00908	1.0
101.02465	3.2
113.02434	1.9
119.03507	2.1
134.03612	2.2
135.04515	1.1
153.15329	0.8
173.06078	0.9
176.04619	0.8
182.42694	0.7
305.11096	2.9
349.09000	1.6
355.23532	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1092
Annotation	N-Acetyl-9-O-acetylneuraminate
Peak:m/z	Relative Intensity
51.12880	1.4
53.69384	1.6
58.00589	1.8
59.01382	100.0
60.01707	2.8
61.98801	2.6
70.59345	1.6
71.01385	25.3
71.59248	2.3
72.99282	1.9
85.02950	4.1
86.93674	2.2
87.00879	3.3
89.02446	40.8
95.01376	2.2
101.02445	17.8
110.63606	1.5
113.02442	13.6
119.03502	11.2
143.03459	2.3
149.91620	1.8
151.80588	1.6
161.04553	6.5
179.05644	9.6
308.28680	1.9
350.05737	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81369	0.4
57.03420	0.4
58.03540	0.4
59.01375	0.9
71.01396	0.6
71.39900	0.7
78.99449	0.4
85.02959	0.5
87.00877	100.0
88.01217	2.0
97.06573	1.0
107.05097	0.6
121.02962	1.8
122.03745	4.0
124.01648	0.6
130.99867	50.1
132.00273	0.7
133.02954	0.8
135.04533	2.8
137.02435	1.5
147.04507	1.2
148.05345	0.8
149.02374	0.6
151.04022	0.5
162.06837	0.5
163.04028	0.6
163.07652	0.6
167.28163	0.5
170.46126	0.4
172.05353	0.6
187.07678	0.5
188.08418	0.4
191.10829	0.8
192.04283	0.6
201.09236	2.2
219.10217	0.9
254.04308	36.3
255.04619	3.2
262.54288	0.4
291.08713	0.5
308.40170	0.5
333.09949	1.0
351.10797	7.0
351.21689	3.0
352.11130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99627	2.3
59.01379	28.6
61.00112	1.9
69.12363	2.2
69.80426	5.5
69.80840	6.4
71.01382	8.2
73.02947	2.4
80.05054	7.5
85.02955	3.7
87.00883	14.9
88.04032	1.9
89.02450	2.9
90.03497	4.5
92.05051	4.1
94.06630	7.8
97.06618	2.3
98.20648	2.9
99.00885	2.2
101.02431	6.4
103.00412	3.9
106.06570	3.0
108.04560	32.9
109.02941	2.0
110.06114	2.2
112.62261	2.4
113.02450	2.5
119.05006	3.7
120.04531	2.9
122.06114	20.0
123.03236	3.3
135.04524	2.9
136.04045	14.3
138.05612	33.2
140.07181	8.6
145.77693	2.1
147.04503	2.4
148.04030	3.8
149.00887	3.0
150.05606	3.9
152.03549	17.7
158.09642	2.9
159.06845	2.9
166.05083	39.3
167.05865	36.5
168.06693	13.5
173.08388	2.9
174.12779	3.5
184.06142	4.8
188.07164	2.1
188.10760	2.9
189.07893	5.7
190.12323	4.0
192.00706	3.4
202.08768	5.0
202.12361	8.8
204.06615	11.8
204.10368	2.2
207.02983	2.5
210.04082	12.5
212.05750	2.3
214.07622	2.0
218.08159	5.0
229.09795	8.7
231.11298	9.0
232.09775	6.1
235.08464	23.1
241.09856	3.6
243.11365	5.6
246.11433	7.1
249.10071	10.6
259.10886	4.1
264.12360	17.3
265.12827	3.2
271.10706	2.6
289.11954	36.4
307.13000	95.9
308.13705	10.0
333.10764	9.4
334.11356	2.0
351.11890	100.0
352.12289	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	348.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73408	0.1
56.33176	0.1
59.01393	0.2
61.98830	100.0
63.99264	0.2
67.55172	0.1
70.74863	0.4
100.62086	0.1
107.73139	0.1
116.96710	0.1
120.63741	0.2
128.25174	0.1
162.98482	1.6
164.96382	0.5
181.55846	0.1
182.92780	0.2
203.99968	0.4
205.00127	0.5
205.99762	0.8
206.97438	75.3
207.97522	6.6
241.99405	0.2
261.79544	0.2
297.13342	0.1
309.96075	0.1
312.10873	0.1
346.05283	0.2
348.98575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1041
Annotation	bisanthene
Peak:m/z	Relative Intensity
59.01382	20.5
65.68745	1.3
65.99850	3.3
71.01385	8.5
71.61565	2.1
73.02939	3.1
82.02976	14.1
85.02953	2.8
87.00878	3.9
89.02431	3.5
89.44111	1.3
99.04498	1.5
101.02435	4.9
103.00341	1.5
106.02985	8.8
108.04539	1.8
113.02419	3.6
119.03485	2.0
122.03737	3.8
122.06102	5.4
135.04538	12.1
136.04036	4.6
138.05612	11.2
145.02937	4.9
146.09703	2.8
148.07698	3.1
149.03561	4.0
149.04793	4.2
155.10793	1.6
160.04048	19.1
160.20757	1.4
160.76891	1.3
161.04683	2.0
163.05084	4.0
164.03534	29.2
165.03912	1.8
169.08638	2.7
174.05544	4.0
176.10831	3.7
178.21591	1.3
179.03510	3.1
179.06975	1.9
190.07158	2.5
190.08740	34.2
191.04622	27.1
191.08185	3.6
199.09746	1.4
202.08693	6.6
203.08627	1.6
205.05951	2.0
217.06209	13.6
217.10886	6.9
218.06763	2.1
218.11864	37.4
219.11853	4.4
228.06604	2.3
229.06104	3.3
231.07776	7.6
232.07950	1.8
233.09299	87.6
234.09599	6.2
244.04836	12.4
244.09775	10.6
245.09276	16.6
246.09546	1.6
254.95702	1.5
257.12973	2.9
258.06390	3.8
259.07233	37.0
260.07388	3.3
261.12427	16.6
262.10669	2.2
271.07269	23.5
272.07629	3.8
277.08167	5.0
278.14819	1.4
287.10379	59.4
287.13583	3.2
288.10785	6.5
305.11453	19.5
306.12015	1.8
313.11874	1.7
321.67844	1.5
331.05386	3.1
331.09351	57.0
331.12830	2.7
332.09479	5.7
349.10312	100.0
349.14819	26.3
350.10419	9.7
350.15198	3.7
350.61536	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66677	0.8
57.12909	0.6
59.01378	100.0
60.01721	1.3
69.37404	6.4
71.01385	9.7
73.02948	2.3
73.04073	3.2
76.88042	0.8
82.02991	1.9
83.01413	1.3
84.00873	0.7
85.02969	2.4
87.00877	4.3
87.50750	0.7
89.02443	8.7
91.05573	1.3
94.03014	0.7
96.04562	2.0
96.96013	1.5
97.30927	0.7
98.02475	2.3
99.00913	0.7
101.02448	7.4
103.00334	0.9
104.36598	0.7
108.02251	0.7
111.05657	0.8
112.04062	1.5
113.02452	3.9
116.92895	0.8
119.03513	4.1
121.04149	1.0
126.13853	0.7
134.03706	0.8
135.04524	26.5
136.04892	1.9
136.07716	0.9
137.02470	0.8
138.05591	1.1
139.05107	5.9
143.03537	0.8
147.04485	3.4
151.05154	1.1
152.01221	0.9
155.04634	1.5
156.03036	1.5
157.06285	1.0
158.71797	0.7
161.04573	2.2
164.07147	5.2
165.07422	0.9
166.01433	1.9
177.10376	2.7
179.03484	6.6
179.05038	0.9
184.02533	1.6
217.10944	0.9
217.14355	0.9
243.11337	3.4
261.12540	1.3
279.33661	1.0
282.21762	0.7
287.10355	7.4
303.09857	5.1
305.11453	3.2
311.04181	0.8
331.09283	4.8
349.01489	0.8
349.10471	7.9
349.14832	3.1
349.18896	1.6
350.10632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1248
Annotation	Achillamide
Peak:m/z	Relative Intensity
56.28947	1.7
59.01377	15.6
68.99809	2.1
69.97449	5.7
80.05044	1.9
84.04517	2.3
87.00871	6.7
95.05030	7.4
97.01676	2.6
101.06075	2.9
103.00356	4.8
107.03784	2.6
108.04559	1.8
109.02966	1.8
109.36783	1.3
110.06115	84.8
111.06464	3.1
116.05057	25.4
118.06649	10.6
120.04438	1.5
121.05358	1.6
122.06120	99.1
123.06454	5.4
124.04005	2.0
130.99847	3.4
132.04532	2.1
134.06149	1.8
135.04521	42.1
136.04903	1.6
144.04553	76.6
145.04932	4.3
146.06100	4.0
147.03317	2.6
156.81021	1.5
161.04802	2.3
162.05606	64.0
163.06253	6.3
179.03517	11.2
188.03542	11.6
191.05821	1.8
195.05333	3.8
200.07048	1.4
215.09232	2.6
215.12802	3.3
215.98477	1.4
224.10716	1.7
229.03899	1.7
230.08138	1.9
230.11816	3.5
242.11688	2.0
252.09084	1.9
255.11388	21.4
256.11633	1.4
260.12921	3.3
267.11374	62.8
268.11621	5.8
273.12439	13.4
274.12704	1.6
285.12436	100.0
286.12866	9.9
303.13455	27.3
304.13934	1.6
311.10361	3.2
329.11282	4.6
347.12335	15.3
348.12741	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	347.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99789	28.4
70.87497	95.2
129.33426	30.6
138.33907	28.6
165.15027	35.3
211.13338	48.7
249.15034	36.1
250.79082	32.7
311.22351	100.0
347.22156	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
67.25382	0.6
87.00880	100.0
88.01237	1.5
98.20621	1.5
110.80209	0.7
166.99663	0.6
319.22620	0.9
347.22244	1.5
355.29300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2543
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
68.42397	0.5
68.54915	0.5
76.09737	0.4
85.76060	0.4
86.06128	0.6
88.04043	100.0
89.04374	1.7
133.04733	0.5
205.22713	0.4
229.26717	0.5
262.54333	0.4
272.81470	0.5
291.31384	0.6
346.66333	0.5
348.25433	32.4
349.25800	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.0
62.23570	1.6
64.57381	1.5
70.95941	2.7
71.01402	6.6
73.02971	1.5
74.02473	1.5
87.00889	3.1
89.02448	5.1
97.02930	2.7
101.02453	3.7
109.02961	11.3
110.06121	7.7
111.00896	1.4
118.06631	1.3
119.03524	1.5
119.05057	2.8
122.06125	6.4
133.02942	1.7
134.03748	1.6
135.04527	47.5
136.04887	2.4
143.05000	8.8
144.04530	5.4
149.06094	10.8
151.03989	2.5
159.04530	3.8
161.04692	2.7
161.06081	11.9
162.05579	6.9
165.05553	2.2
171.04523	12.7
171.10251	1.6
174.03217	5.5
177.05606	8.2
178.05223	1.4
179.03502	8.4
185.02368	2.1
189.05577	100.0
190.05890	7.1
191.03484	2.5
205.05074	1.9
207.06586	7.7
215.09200	2.6
221.04543	3.8
233.04578	2.9
249.07335	2.4
251.05687	4.9
255.11368	2.0
267.11407	5.4
275.00467	1.5
285.12390	8.7
297.06729	1.4
303.13535	2.4
311.07758	18.6
329.11261	1.4
347.13110	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	347.1248
Annotation	Achillamide
Peak:m/z	Relative Intensity
59.01382	53.7
68.99806	2.6
69.59772	8.0
69.60179	3.5
71.01379	8.5
72.99308	2.7
73.02956	2.1
78.32248	1.7
85.02940	2.7
87.00887	9.2
89.02457	3.7
95.05029	2.3
95.47942	1.9
96.04533	2.9
97.01694	1.8
99.00867	1.8
101.02445	4.7
103.00357	6.6
108.02085	1.8
110.06118	63.3
113.02420	2.7
116.05045	8.2
118.06611	6.1
122.06116	54.3
123.04525	2.0
123.06480	2.6
124.04038	3.6
130.99895	3.4
132.04533	3.8
135.04504	11.7
144.04546	40.6
146.06082	4.3
148.04079	2.8
149.00932	2.3
150.05595	13.0
161.02435	1.9
161.04657	2.7
162.05606	47.1
163.06331	3.5
173.07222	3.7
176.03535	2.2
179.03531	7.4
188.03542	7.5
189.10332	4.5
195.05379	5.6
203.11732	3.2
215.08284	4.1
215.12767	6.4
217.13396	6.2
225.06549	2.1
227.11815	2.8
231.11406	6.7
233.13010	3.0
239.12015	3.0
241.06136	4.3
243.11403	9.4
255.11497	9.0
257.09216	6.1
257.13022	10.3
259.14444	4.9
261.12515	4.9
267.11407	13.8
269.09326	3.7
273.12424	18.3
285.12451	100.0
286.12845	10.9
303.13492	98.7
304.13892	13.1
311.10379	2.6
317.11429	11.1
329.11420	24.8
330.11841	3.3
341.08850	1.9
347.12360	31.2
347.17041	5.6
348.12561	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	347.0175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18278	0.5
59.01380	11.2
69.45319	4.4
71.01380	6.6
72.99307	1.6
73.02944	1.2
82.02978	0.6
83.05045	0.6
85.02956	2.5
87.00875	8.3
89.02458	3.4
93.03452	0.9
95.01376	1.0
95.05052	0.9
99.00903	1.1
101.02451	4.9
103.00397	1.3
107.05006	0.8
108.02148	0.7
109.02936	1.2
110.06124	6.0
112.98815	1.4
113.02462	3.2
113.03161	0.5
116.05070	1.2
117.03492	0.8
118.06657	0.6
119.03519	1.9
119.05051	1.2
119.41512	0.6
119.83034	0.5
121.06562	0.8
122.06120	6.8
123.08208	0.8
130.99873	0.9
133.02951	1.1
134.03729	1.9
135.04526	100.0
136.04845	4.5
139.99292	0.8
141.00156	3.2
144.04581	4.6
148.04060	2.4
149.00929	0.7
151.04025	0.7
151.99348	1.6
153.00172	1.1
153.05571	1.2
161.04575	2.5
162.05597	6.0
166.97531	2.5
167.01694	2.1
168.99672	4.3
170.00430	15.2
171.01176	6.1
171.10263	0.7
178.05095	5.3
179.03490	27.4
180.03865	1.6
183.01114	0.7
184.27991	0.6
185.02776	17.0
186.02945	0.6
188.03508	1.6
215.09317	2.8
255.11342	1.8
267.11407	5.3
273.12402	1.4
285.12369	7.0
303.13498	2.3
329.11029	0.7
332.05933	1.2
341.08691	1.1
347.01730	1.0
347.08057	7.8
347.12943	2.7
347.17447	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	345.119
Annotation	Eranthemoside
Peak:m/z	Relative Intensity
59.01375	5.1
60.29958	0.5
68.40335	0.5
71.01389	1.6
72.99294	2.0
74.75776	0.6
74.89050	0.6
87.00879	2.5
89.02430	0.8
93.03465	1.2
101.02452	0.7
103.00397	1.2
105.03482	0.6
107.05035	1.6
109.02972	3.0
110.48175	0.5
113.02464	0.7
117.18362	0.5
119.05022	1.6
121.02957	1.5
122.97574	1.1
123.00854	2.0
123.04540	5.7
124.01762	0.6
125.01349	0.5
133.02954	1.9
134.03645	0.8
135.04503	1.9
137.02429	2.4
137.06120	0.8
138.03229	34.3
139.03882	2.5
141.04446	0.5
149.00916	6.1
149.02267	1.2
151.04008	12.5
152.04346	1.3
153.05576	13.3
154.05923	0.8
163.04008	0.9
165.05589	0.7
168.04280	54.6
169.04648	2.8
170.02220	2.2
183.06618	100.0
184.06987	5.5
195.02979	1.8
213.04005	1.5
239.10796	1.2
301.10699	0.7
345.12323	4.9
346.12225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.3
59.01376	2.3
65.79449	0.5
71.01363	1.8
71.05005	0.4
71.62800	0.7
74.97249	0.5
75.00888	4.4
76.59194	0.4
81.03434	0.5
83.05006	0.7
85.21764	0.4
87.00902	0.5
88.69276	0.5
89.02433	0.7
107.61380	0.4
109.02942	1.1
110.09584	0.4
111.08160	1.0
117.01924	1.3
134.03743	17.3
135.03017	14.7
135.04401	1.7
148.05287	0.6
159.04488	1.9
160.05139	0.8
161.02544	0.9
165.12845	26.1
166.13184	1.7
170.78220	0.4
173.06026	0.5
174.03258	1.0
174.06895	0.5
175.03914	0.5
176.04738	1.4
179.03522	0.8
181.12282	0.7
183.13901	100.0
184.14217	6.7
187.04001	5.7
188.04530	0.9
191.10680	0.7
197.06128	0.7
201.05550	0.7
202.06349	4.2
209.11800	2.0
211.13393	12.8
212.13870	0.6
227.12892	75.6
228.13226	5.4
248.10378	0.7
257.15475	1.5
283.13406	2.1
299.16556	2.1
301.14410	1.0
301.17786	0.5
302.49982	0.5
309.15045	4.2
317.17575	1.9
327.15988	9.8
328.16315	1.4
345.16400	21.3
345.26270	3.7
346.16959	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	345.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	6.7
59.01361	2.2
62.91150	1.3
70.77551	3.4
80.02672	4.1
81.03455	4.8
83.05023	14.1
84.02176	4.5
97.06577	1.6
109.02955	6.0
111.04539	1.7
125.09702	3.4
129.09280	3.5
134.03754	8.1
135.04504	1.5
135.08102	1.9
141.09207	2.0
155.10751	2.6
163.11287	8.7
165.12860	6.4
171.10251	1.9
174.06798	1.7
181.12270	1.9
185.11794	8.3
185.31635	1.4
187.03934	3.2
187.07771	1.4
191.10733	3.3
197.11842	9.9
202.06273	2.0
209.11819	100.0
210.12209	8.0
211.13329	5.6
227.12869	1.6
287.20190	1.6
299.16415	1.7
301.14499	2.2
309.15042	3.7
327.15869	5.3
345.16837	8.2
345.20325	34.5
346.21133	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	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34031	0.2
59.01377	6.2
60.01730	0.4
61.98829	100.0
70.04412	0.9
98.19919	0.2
102.89097	0.2
105.14297	0.2
157.17726	0.3
159.03275	0.2
175.90160	0.2
201.00853	0.2
201.02498	1.4
202.02702	2.2
203.02313	2.8
203.99980	41.6
205.00102	3.8
346.01160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10907	0.4
56.64406	0.4
57.03445	0.4
61.91023	0.3
62.71663	0.3
70.58066	1.3
74.77567	0.4
79.90284	0.3
83.05043	0.4
86.09666	0.4
99.08195	0.6
113.09730	0.5
121.10236	9.2
121.65353	0.4
122.10609	0.5
125.09702	1.3
127.11241	2.0
137.09717	2.2
139.11285	2.7
153.09200	1.1
165.09222	1.1
171.10269	62.9
172.10619	3.7
187.61543	0.4
203.33290	0.4
211.13499	0.9
293.21237	1.2
294.63315	0.4
305.17453	0.5
343.24869	100.0
344.25220	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	344.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56573	1.3
55.01870	1.3
59.01385	54.3
60.01702	1.8
61.98838	100.0
65.22447	1.1
71.01391	21.5
71.59757	1.9
72.00915	3.6
72.99325	3.6
74.02477	1.2
74.49895	1.2
83.01409	1.6
85.02954	4.2
87.00862	2.1
88.04048	1.9
89.02459	15.8
90.82842	1.0
92.05077	3.4
95.01421	1.7
99.00897	1.9
101.02466	10.4
105.89771	1.3
108.04582	1.4
112.35880	1.1
113.02456	5.7
114.05610	1.3
117.80407	1.2
119.03514	5.8
119.05035	5.3
120.04556	12.8
120.05375	2.9
121.03004	2.9
122.06104	4.1
123.00916	1.8
123.04522	2.9
128.03546	2.8
135.04546	6.5
136.04031	3.2
137.02327	1.4
138.05629	23.4
139.00317	2.5
139.04018	3.5
142.06845	1.3
147.04558	3.0
149.00974	2.9
151.04047	6.0
164.03551	37.8
165.05557	1.7
169.04994	1.7
180.06659	1.8
181.05151	1.2
183.06651	1.4
189.03673	1.2
196.08449	2.2
199.07352	1.4
201.02545	11.6
202.02748	9.4
203.02373	3.5
210.10179	1.7
212.06578	1.7
213.04074	1.5
222.10094	6.3
239.07164	1.2
300.10846	9.3
327.10754	3.6
344.09839	36.0
344.13406	14.1
345.10083	5.5
345.17828	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	345.1091
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
52.30749	0.5
59.01374	3.7
66.27863	0.5
68.72946	0.5
71.01384	0.6
71.61781	1.0
73.35159	0.7
80.05006	0.6
84.04530	1.2
87.00887	1.1
89.02446	0.6
95.03767	2.3
96.08172	1.2
97.01694	0.7
103.00355	0.7
104.05048	1.3
106.06631	5.3
108.04585	3.2
112.04026	0.9
120.04534	0.8
121.10253	0.8
122.06115	4.1
123.03279	0.7
124.07704	6.5
126.51736	0.6
132.04556	39.0
133.05356	22.6
134.03810	0.6
134.06171	5.6
138.05643	1.4
148.04076	1.9
150.05565	1.5
165.04309	25.4
166.04744	0.6
176.03505	1.6
177.04329	4.4
178.05063	2.4
183.10251	13.0
184.07681	1.2
184.10564	0.8
185.08362	0.7
186.09242	4.8
198.09254	1.3
209.03316	5.4
212.10815	0.9
213.06686	3.1
214.12361	6.1
215.11874	7.8
222.58810	0.6
226.07507	0.8
227.08168	0.8
229.09915	3.8
240.10283	2.1
241.09816	3.1
253.06256	0.6
255.11407	1.8
257.12964	24.1
258.13348	2.8
273.08914	0.7
283.10843	9.8
284.11243	1.5
301.11923	20.6
302.12314	1.9
327.09821	2.4
345.10898	100.0
346.11172	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	343.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45233	0.5
57.03443	0.7
59.01376	1.3
69.03464	1.8
69.42248	4.4
69.42685	1.0
79.96200	0.5
81.03427	0.8
82.38564	0.6
83.05028	2.0
97.06620	1.1
98.20597	0.9
99.08172	10.3
111.08144	1.0
113.09658	0.6
115.03590	0.5
115.84780	0.5
123.08177	0.6
125.09731	2.1
137.09731	1.7
149.13412	1.0
161.63976	0.5
165.12788	1.2
171.10252	6.0
175.11172	1.0
187.92326	0.6
193.12347	16.9
194.12738	1.4
197.15451	0.7
211.13391	4.0
225.14975	27.2
226.15294	1.9
243.16028	9.5
244.16313	0.6
293.21255	2.9
311.22287	1.2
325.23834	1.7
343.24905	100.0
344.25262	11.9
366.61996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.30260	0.5
59.01379	1.0
69.03451	1.7
69.69824	3.3
83.05028	0.9
97.06586	0.7
98.20638	0.6
99.00983	0.5
99.08161	8.1
111.08186	0.5
121.10272	3.1
125.09756	1.9
137.09717	1.3
139.11296	0.9
145.53642	0.5
152.78571	0.5
159.48766	0.5
163.11386	0.5
165.12825	1.1
171.10266	20.4
172.10588	0.9
175.11322	0.6
191.70384	0.5
193.12341	13.4
194.12669	0.7
196.16531	0.4
197.15379	0.5
211.13408	3.7
225.14952	18.7
226.15286	1.5
243.16002	6.6
244.16275	0.6
293.21100	1.8
311.21988	0.9
325.23859	1.4
343.24869	100.0
344.25201	11.7
362.46719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01372	1.3
69.03451	1.5
69.80010	1.9
77.31580	0.3
80.31109	0.3
83.05029	1.3
97.06591	0.9
99.08154	8.4
100.08540	0.4
109.06558	0.4
111.08131	0.4
121.10247	2.5
125.09726	1.7
127.11292	0.7
137.09706	1.5
139.11273	0.5
149.13351	0.7
151.11290	0.8
153.09189	0.6
163.11336	0.4
165.12819	0.7
168.79091	0.3
171.10266	17.0
172.10591	1.1
175.09755	0.3
175.11252	1.0
176.19347	0.4
193.12337	14.3
194.12677	0.8
197.15439	0.5
211.13365	3.2
225.14958	19.0
226.15315	1.2
243.15981	7.6
285.16306	0.3
289.18109	3.8
290.18222	0.4
293.21219	1.9
307.19214	0.5
311.22153	0.9
325.24078	0.8
343.24875	100.0
344.25244	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	343.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.9
59.10709	1.0
60.08204	1.3
70.44319	2.2
70.44673	3.3
71.01348	1.6
81.03378	1.2
83.01368	1.1
89.00628	4.1
93.03413	1.0
95.05024	1.9
97.13917	1.0
107.03729	1.1
109.02897	3.1
109.32050	1.1
110.02410	1.2
116.05042	1.7
118.06593	3.2
119.05021	2.1
122.06128	14.3
132.04506	1.6
134.06061	1.6
135.04549	5.8
139.05824	1.5
144.04486	4.0
145.05345	7.5
146.06075	2.4
147.03214	1.7
148.03943	1.9
151.00330	2.7
159.03162	2.2
160.02762	2.0
160.04047	42.4
161.04825	71.2
162.05629	14.8
164.03456	4.6
171.10196	1.1
171.29156	1.1
175.02669	4.3
176.03560	6.3
177.04222	4.3
179.03442	2.8
181.03777	1.2
188.03438	4.0
189.04309	34.7
190.04816	3.8
192.03023	10.9
193.03793	38.3
193.06467	1.4
194.04050	1.5
195.08110	1.1
211.05980	1.6
221.03397	6.3
221.06921	10.4
243.11298	4.6
253.05960	5.4
255.10202	2.6
257.12042	2.3
267.11392	22.6
268.11667	3.1
268.75070	1.3
283.10873	100.0
284.11163	10.4
290.17825	1.3
311.10394	39.0
312.10559	4.7
325.14215	3.7
343.04324	2.9
343.12778	43.6
344.13004	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	343.1398
Annotation	Taxuside
Peak:m/z	Relative Intensity
59.01398	1.1
59.01641	0.2
65.65817	0.2
69.35794	1.9
71.01376	0.7
75.45287	0.2
81.08348	0.2
86.42097	0.2
87.00843	0.2
93.03483	0.4
98.20583	0.4
101.02381	0.2
103.00385	0.5
107.05003	0.2
108.02187	0.7
109.02952	0.9
111.04521	0.3
119.05026	0.8
121.02950	0.7
121.06691	0.2
122.03743	9.6
123.04527	0.5
124.01652	0.6
130.08728	0.3
132.48297	0.2
135.04529	3.0
136.01617	0.3
136.05312	7.5
137.02467	0.9
137.06107	2.5
140.07152	0.6
146.34631	0.2
149.06082	0.3
151.04102	0.2
153.01889	0.2
154.02727	0.5
163.04012	0.4
163.07642	0.4
179.03484	1.3
179.07123	0.5
180.04280	11.9
181.05360	3.2
181.08702	100.0
182.09030	6.0
191.07089	0.4
207.05376	0.2
225.26411	0.2
255.10301	1.5
299.09537	0.2
301.19162	0.2
343.10318	7.5
343.14001	1.2
344.10776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.4
68.05537	7.9
71.01389	100.0
73.02956	9.3
84.32729	7.9
109.06592	50.4
163.11285	29.3
171.10324	12.7
174.74391	7.3
199.09785	9.1
207.10281	44.7
343.28482	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	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17337	1.0
57.27346	1.0
59.01366	1.6
61.39380	0.8
71.05009	1.2
80.02682	3.7
81.03452	3.6
83.05029	11.4
84.02163	3.1
93.06461	1.1
95.05006	2.0
97.06537	1.4
108.27543	0.9
109.06558	1.2
125.06065	1.8
125.09670	1.4
127.07681	1.6
140.88548	1.0
153.12885	1.0
163.11287	9.8
164.11661	1.5
165.12889	5.8
171.10149	1.8
185.11865	2.2
191.10771	1.8
197.11841	2.4
209.11835	100.0
210.12144	7.4
229.11989	1.3
229.14270	1.1
273.14529	1.1
318.84012	1.3
343.21100	3.2
355.38742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39038	0.3
53.92099	0.4
59.01374	1.5
59.27613	0.3
68.99835	0.8
71.01386	1.0
71.61259	0.5
75.00887	0.4
81.03444	0.6
87.00858	0.5
92.05058	0.8
93.03443	0.5
94.06637	1.2
95.05028	4.1
99.00867	1.2
107.03776	2.1
108.04517	0.9
113.02459	0.4
113.59335	0.4
116.05060	2.7
118.06622	1.4
119.03761	2.4
119.05016	1.4
119.13166	0.4
120.04581	2.2
120.08199	2.8
121.02885	0.5
121.05319	2.1
122.02503	0.5
122.06118	28.5
123.03275	0.6
123.04548	0.5
123.06446	1.1
124.04008	0.8
131.03766	1.4
132.04538	4.9
133.05342	0.5
134.06114	1.1
135.03444	0.7
135.04512	8.3
136.04008	0.9
138.09268	2.3
144.04536	7.4
145.05328	14.6
146.02464	1.1
146.06133	8.9
147.03255	1.4
148.04042	3.9
148.07674	0.4
149.06067	0.7
150.02002	0.5
152.03502	1.5
159.03233	4.7
160.04036	75.0
161.04822	33.3
162.05617	5.2
163.02705	0.5
164.03490	2.3
172.04036	0.6
174.01906	1.3
175.02727	2.0
176.03534	13.1
177.04305	9.0
178.04926	0.7
178.08754	0.4
179.03500	6.8
179.05803	0.5
181.08665	0.6
182.08215	8.2
188.03531	6.3
189.04306	78.4
190.04903	7.4
191.02206	0.4
192.03024	4.9
193.03792	21.8
194.04137	0.5
201.87314	0.4
203.05830	2.3
204.02927	0.5
220.02499	0.9
220.06186	3.1
221.03336	19.9
221.06883	26.1
222.03650	0.8
222.07419	1.9
224.09010	0.6
224.10800	1.3
235.04692	0.5
237.06622	1.0
239.11948	1.4
240.10118	0.5
241.14479	1.2
243.11378	11.5
244.11639	1.2
252.09123	0.4
253.05920	8.9
254.06247	0.8
255.10326	1.0
267.11371	50.6
268.11688	4.6
283.10858	7.7
284.11334	0.8
311.10364	85.3
312.10657	10.2
315.13574	0.4
325.11697	0.7
343.12961	100.0
344.13321	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	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.47843	0.7
59.01382	8.4
67.34868	0.5
70.79877	1.0
71.01383	3.6
73.02938	0.9
77.23260	0.6
82.85907	0.5
83.01395	1.5
85.02955	2.0
87.00898	1.7
89.02447	2.2
89.26551	0.5
93.03465	6.0
95.01402	5.5
95.05044	0.7
101.02460	1.4
103.00347	0.8
108.02184	1.6
109.02943	4.2
111.00907	1.1
113.02467	1.5
113.62022	0.5
119.03516	0.7
119.05032	2.1
120.47636	0.6
121.02962	11.3
122.03785	0.9
123.00891	70.1
123.04536	2.6
124.01692	26.5
125.02060	1.1
135.04538	10.2
136.01726	0.8
136.04881	2.4
137.02449	3.5
137.05066	1.0
137.06064	0.6
138.03230	34.6
139.04016	100.0
140.04344	4.4
149.01019	2.6
149.02441	3.9
149.06091	1.1
150.03305	0.7
151.03975	1.7
153.01921	0.8
161.02478	1.4
161.04578	0.9
162.02838	0.7
163.02866	0.8
163.04079	1.4
165.01915	2.8
165.33493	0.5
166.02667	1.6
167.03497	4.6
177.57600	0.6
178.02798	0.9
179.03500	2.3
180.03857	0.7
181.05115	8.6
181.08667	0.8
193.05090	1.2
209.76788	0.5
211.02463	0.6
211.06128	1.1
243.55397	0.6
255.10225	3.6
256.10782	0.7
271.66513	0.6
300.10992	1.9
343.10330	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	343.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97024	0.5
59.01381	13.2
59.16109	0.6
71.01380	3.8
71.53288	0.8
73.02947	1.1
83.54692	0.6
87.00871	1.7
93.03474	5.6
101.02464	0.8
103.00347	1.6
108.02168	12.4
109.02959	29.9
110.03301	0.7
113.02431	0.7
115.00381	5.3
116.07194	0.8
117.03487	0.7
119.05025	2.0
121.02949	18.4
122.03780	8.8
123.04511	1.5
125.71983	0.6
126.80983	0.5
130.08719	2.2
132.05869	0.7
133.02998	0.6
133.06607	1.4
135.04538	7.2
136.05305	8.2
137.02411	2.3
137.06030	0.7
140.07124	0.8
145.06540	2.2
147.04514	1.4
148.05319	0.9
149.06065	1.0
154.02704	1.6
161.02373	0.7
161.04797	0.7
161.06094	1.4
163.03998	1.5
167.10899	0.9
179.03529	2.7
180.04289	11.5
181.05054	3.3
181.06409	0.7
181.08653	3.2
185.06023	0.9
197.05965	0.9
211.09610	0.6
225.05534	1.0
226.06357	18.4
227.07103	13.6
228.07416	1.4
237.09187	1.2
239.07133	1.8
240.07755	0.7
251.07019	0.8
253.08731	4.1
254.09032	0.8
255.10254	100.0
256.10614	10.3
281.12985	0.9
299.09354	1.0
309.14597	2.9
325.12036	0.7
326.17126	1.1
343.08289	4.8
343.10254	3.1
343.13998	0.8
344.18213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	9.1
68.01393	0.6
69.67744	3.0
69.68162	1.0
71.01377	4.2
72.99332	1.5
73.02965	1.0
80.40017	0.6
80.59866	0.6
81.03472	0.8
85.02953	2.2
86.73188	0.6
87.00876	1.7
89.02440	1.5
92.05051	0.6
93.03469	6.3
95.01402	4.8
96.00900	1.1
99.00889	0.8
101.02456	2.7
105.03460	0.6
108.02188	1.6
109.02941	4.9
111.00913	0.8
113.02464	1.5
119.03428	0.6
119.05035	1.6
121.02954	10.3
122.03754	0.8
122.42603	0.7
123.00890	69.3
123.04521	2.7
124.01691	26.2
133.02959	1.0
133.06490	0.6
134.03781	1.3
135.04535	8.2
136.01668	1.0
136.04897	2.7
137.02467	3.8
137.04947	1.6
137.06003	1.1
138.03232	37.4
139.04021	100.0
140.04347	4.8
147.97116	0.7
149.01007	3.7
149.02409	4.5
149.06062	0.9
150.03181	1.1
151.04008	1.1
158.07491	0.6
161.02417	1.3
161.04535	1.1
162.02814	1.1
163.04031	3.0
164.04779	0.8
165.01926	2.8
166.02698	1.0
167.03481	6.4
178.02780	0.7
179.03523	2.2
180.03929	0.8
181.05142	10.0
192.85205	0.6
193.01312	0.9
193.05031	1.5
211.02492	1.8
211.06114	1.7
214.46336	0.6
245.02417	0.6
255.10307	4.4
300.11136	2.4
343.02737	0.6
343.10294	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	343.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51334	0.7
59.01380	32.3
60.01742	0.7
61.98833	16.3
67.46079	0.7
69.20809	0.7
70.42784	0.7
71.01376	5.9
71.59702	1.0
72.00906	3.1
72.99322	1.8
78.21085	0.8
78.95937	0.9
81.03453	3.1
85.02957	1.5
87.00870	7.4
89.02445	4.0
93.03444	1.1
95.05022	0.8
99.00858	1.3
100.51003	0.7
101.02438	3.9
103.00398	1.5
108.02150	1.6
109.02924	2.6
112.98833	0.8
113.02441	2.7
114.01972	1.1
117.01913	0.9
119.03497	1.6
119.05015	2.7
120.04627	0.8
121.02952	3.7
123.00897	6.5
123.04531	8.7
124.01685	3.1
125.02476	0.8
128.03554	1.9
130.99763	0.7
132.35492	0.7
134.03732	7.3
135.03600	0.9
135.04521	4.1
136.01657	49.5
136.04869	1.2
137.02383	2.5
138.03242	5.0
138.05608	1.1
139.04013	7.4
140.27969	0.9
149.00906	8.3
149.02147	1.1
149.02521	1.1
149.06075	2.8
151.04004	100.0
152.04401	4.1
161.02472	1.7
161.04605	0.8
163.04012	2.4
164.03485	1.6
166.01015	0.9
167.03459	4.0
169.05035	0.9
170.37924	0.8
178.17987	0.7
179.03506	1.3
179.05548	1.8
181.05037	5.0
182.02823	2.5
195.03357	0.8
195.08276	1.3
199.07257	1.4
201.02579	6.9
209.09731	1.1
211.02620	2.9
211.06108	94.7
212.06458	5.3
221.09682	2.9
254.07269	0.7
255.10332	2.0
256.06482	2.4
282.11346	1.0
326.10373	3.3
343.07327	1.8
343.13129	9.0
343.19992	1.3
344.09845	1.6
344.13815	0.9
344.17938	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	5.1
58.26731	1.3
59.01385	15.7
61.98830	3.5
71.01386	12.3
78.59663	1.5
83.05025	1.6
85.02954	2.6
89.02442	14.7
95.04980	1.9
99.92586	1.6
101.02435	7.5
104.07101	1.5
109.06603	1.5
113.02452	4.7
116.92859	7.4
119.03510	4.5
127.07644	4.7
137.09692	3.6
143.03569	2.1
165.12862	1.7
169.12321	1.8
171.10269	7.6
179.05612	7.3
181.12350	7.7
183.01196	5.2
183.13887	5.6
193.12299	2.8
197.11842	2.8
201.11383	2.2
211.13393	9.3
213.14990	17.3
221.11778	3.8
239.12744	2.5
267.19543	1.7
291.19574	4.6
309.20801	5.3
323.22394	3.7
341.07123	2.2
341.10892	5.2
341.18008	12.2
341.23331	100.0
342.23679	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	341.306
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
58.69448	0.5
59.01377	1.1
59.44058	0.5
63.80316	0.6
69.03464	0.5
70.29388	1.8
70.37181	0.5
71.01366	0.6
71.05025	24.6
72.05345	0.5
73.02977	0.8
83.05032	1.3
89.02428	1.1
98.03720	0.7
138.31273	0.5
150.25308	0.6
160.57201	0.6
167.42847	0.6
171.93701	0.6
185.00677	0.7
267.27066	3.6
279.26797	0.7
281.28510	25.7
282.28720	3.3
305.28339	0.8
307.26660	0.6
323.29550	14.1
324.29855	1.7
325.27490	0.9
341.19696	2.0
341.30600	100.0
342.30920	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	343.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	86.3
60.01714	0.9
61.98830	0.8
71.59447	0.1
72.09553	0.1
101.10395	0.1
113.04607	0.3
115.02528	0.5
117.00468	0.2
131.53262	0.1
155.57411	0.1
156.90860	0.4
157.03572	5.3
157.90993	0.2
158.03758	0.6
158.90807	0.1
159.00142	0.2
159.01491	4.1
160.01616	0.3
173.03050	0.1
191.18443	0.1
198.92055	0.2
199.00890	0.2
201.02551	100.0
201.89378	0.6
202.02704	9.6
206.97511	0.1
301.02548	0.2
343.03708	2.2
344.03946	0.5
344.70721	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11949	0.7
57.01629	0.7
59.01369	1.7
68.89046	0.8
69.03448	3.0
70.05630	3.3
77.27234	0.8
83.05016	1.6
84.02187	1.4
97.06598	12.6
99.04520	0.9
125.09723	2.1
137.09666	1.0
171.10258	9.1
175.11295	1.4
175.61281	0.7
177.12871	0.9
185.11809	0.8
193.12321	16.0
194.12674	1.7
201.14230	0.8
203.10631	0.8
211.13318	3.7
212.13779	1.0
221.11867	1.4
222.28621	0.7
225.14967	24.3
226.15213	1.3
243.15994	11.7
253.14439	1.2
341.23315	100.0
342.23605	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72032	0.3
57.03441	0.6
59.01377	2.2
69.03468	1.9
71.01381	1.2
71.07952	0.3
81.03449	0.4
83.05032	1.9
84.02163	3.9
85.02938	0.7
86.30243	0.4
89.02444	0.5
91.91911	0.4
95.05049	0.5
97.02969	1.7
97.06590	12.4
98.06901	0.4
98.19801	0.7
99.04528	1.4
101.02443	0.4
109.06546	0.4
111.08171	0.5
116.16662	0.4
119.08670	0.6
121.10174	0.4
123.08163	0.6
125.09709	1.5
127.11324	0.8
130.08740	1.3
131.09081	1.0
135.08154	0.5
137.09740	2.0
144.03094	0.3
145.11082	0.3
149.13440	0.8
155.10812	0.4
163.11285	0.4
165.12814	1.0
167.14410	0.4
171.08783	0.6
171.10258	12.4
172.10582	0.8
173.09604	0.4
175.11319	1.0
177.12888	0.6
183.13945	0.6
185.11835	0.7
193.12328	16.4
194.12624	1.4
196.63710	0.3
197.15451	0.8
203.10793	0.6
211.13388	3.7
221.11913	0.9
225.14946	22.5
226.15280	1.8
230.13412	0.5
243.15977	10.2
244.16354	0.7
253.14418	1.4
273.18610	0.5
291.19684	2.7
305.21167	0.8
323.22171	1.1
335.83249	0.4
341.23315	100.0
342.23660	11.8
349.86313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
57.98497	0.4
58.00595	1.2
59.01378	6.9
62.14414	0.4
69.03451	0.6
69.74719	1.5
69.75146	1.3
71.01385	5.9
72.99321	0.6
73.02954	3.0
75.00875	0.9
79.03271	0.5
79.80019	0.4
83.01400	0.5
83.04996	0.5
84.02180	2.1
85.02950	0.9
87.00888	1.3
89.02447	3.9
90.09856	0.5
97.02961	0.7
97.06610	1.0
99.08167	0.4
101.02442	2.1
112.98775	0.6
113.02435	1.2
119.03505	1.2
119.05088	0.5
125.06077	0.6
127.07705	0.4
133.02966	2.4
134.03706	0.8
135.04530	3.6
143.07112	1.7
147.66928	0.5
151.07631	0.7
161.02419	3.5
171.10242	3.5
177.01891	0.7
178.02672	1.3
179.03482	1.7
179.05688	0.9
183.13925	1.2
189.96286	0.5
211.13448	1.7
223.17072	1.1
235.16954	0.7
237.18605	1.9
239.12946	0.6
247.20590	0.5
249.82845	0.4
251.20200	1.4
253.21693	1.8
257.14023	0.7
263.20090	1.6
272.12424	0.4
273.18567	5.5
274.18753	0.8
279.19547	1.0
281.21176	4.8
289.18100	1.5
291.19638	3.7
309.20709	4.1
323.22324	2.6
341.10849	1.5
341.23312	100.0
342.23663	12.9
345.17099	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
57.03455	1.1
59.01385	32.5
61.77769	1.0
63.04397	1.0
69.03454	1.3
70.19071	1.0
70.19438	2.2
70.19789	3.5
71.01389	9.9
71.05025	2.1
82.31394	1.0
83.05023	1.4
86.98747	1.0
87.00877	2.9
89.02463	11.4
95.01390	1.0
95.05027	1.9
97.06591	3.0
97.67704	1.0
101.02461	4.0
106.04204	1.2
109.02958	1.7
109.06602	6.2
111.08154	1.9
112.98794	2.1
113.02452	3.2
119.03505	3.1
121.06628	1.6
123.08206	2.3
125.09749	2.4
133.02998	3.5
134.03726	1.2
135.04541	3.7
135.08156	1.8
137.09750	2.2
143.03519	1.6
149.00879	1.1
151.11292	4.0
153.09227	1.3
161.02467	4.3
161.04449	1.4
163.11301	1.4
171.10272	4.8
178.02718	2.1
179.03506	4.5
179.05612	4.1
189.12798	1.1
193.12276	2.2
198.11850	1.1
199.13326	1.3
207.10329	1.7
211.13425	2.6
214.92003	1.1
219.17624	5.7
223.13387	1.7
225.14964	3.0
235.13376	2.4
245.15381	1.8
253.14551	3.3
263.16519	100.0
264.16895	9.2
279.16376	3.2
279.19620	27.9
280.20026	2.6
287.16611	3.3
305.17590	7.9
323.18506	8.1
341.11002	5.2
341.19708	81.0
341.23395	14.6
342.19980	10.6
342.23532	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04817	0.9
51.13343	1.2
57.03443	3.0
59.01378	16.5
60.29836	0.8
60.84135	1.0
62.62925	0.9
65.37275	0.9
67.83615	0.9
69.03457	2.4
71.01376	14.6
71.05025	5.1
72.24281	0.9
73.02937	1.2
80.02673	2.4
81.03455	4.5
83.01403	2.1
83.05025	10.3
84.02168	3.7
85.02950	3.4
85.06603	1.8
87.00893	2.1
87.04511	2.9
89.02453	9.7
93.03449	2.2
95.05026	13.1
97.02934	1.8
97.06599	3.1
99.04524	1.1
101.02458	4.8
107.05016	2.7
109.06597	5.6
111.04502	4.2
111.08153	2.1
112.98857	1.8
113.02430	3.3
113.06085	13.2
119.03492	3.5
121.02936	1.4
121.06561	1.4
123.04489	1.4
123.08150	2.5
125.06084	4.7
125.09716	4.2
127.07652	1.5
135.04526	8.1
135.08182	1.9
137.06087	2.1
137.09723	2.1
143.03526	1.2
151.07587	2.8
161.02438	1.7
161.04521	1.4
163.11287	5.8
165.12833	4.3
169.08696	1.1
171.10252	10.4
179.03487	4.8
179.05589	4.0
181.12311	1.4
183.13882	1.6
183.75932	1.0
185.11830	14.6
191.10704	2.3
191.14441	3.4
197.11806	10.6
201.11290	3.5
209.11826	100.0
210.12190	8.5
211.13370	2.0
213.11272	1.4
221.11784	3.1
223.13335	3.0
227.12875	11.9
233.11945	1.3
235.13406	13.8
236.13768	1.9
237.14986	1.3
239.12793	3.4
247.13364	4.0
251.12868	4.3
253.14331	5.6
257.14020	1.3
265.14441	7.6
279.15942	1.3
287.16409	4.1
305.17575	9.2
323.18591	8.6
324.18750	2.0
341.10791	4.1
341.19629	29.1
341.23395	6.4
342.19913	4.8
342.23718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02702	1.7
58.02978	33.4
58.51106	1.0
59.01370	7.7
70.02977	34.3
70.23148	4.5
71.01376	4.8
71.02511	5.6
84.05253	1.0
87.00889	1.8
87.05634	2.8
89.02435	4.2
95.02509	4.3
96.00918	63.2
97.01208	1.5
101.02432	2.4
101.47076	1.1
113.02426	1.2
113.03575	21.0
114.01974	47.8
114.05618	2.8
119.03517	1.6
124.96419	1.0
131.04628	33.1
135.04518	5.2
161.02466	1.9
165.12802	3.4
179.03572	2.3
179.05589	2.6
182.15494	49.0
183.15814	1.7
189.01886	1.1
208.13474	2.0
208.17081	5.4
209.11853	1.1
219.03004	1.3
225.11263	1.3
225.16104	17.8
226.11938	2.3
226.14481	54.8
227.14851	3.6
235.17964	1.6
237.15939	1.7
255.02980	3.0
279.17154	27.7
280.17343	3.8
283.02515	1.7
297.04031	1.5
297.18134	2.5
305.14990	2.6
323.16107	26.3
324.14105	2.0
341.06619	3.2
341.10480	2.6
341.17145	100.0
342.17401	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	341.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45612	6.9
59.01381	80.3
71.01375	100.0
73.93783	8.5
76.78291	7.6
81.48182	7.1
85.02959	9.6
89.02450	64.4
97.06538	15.0
98.20604	27.0
101.02445	28.8
109.06586	27.6
113.02438	18.0
117.89935	8.7
119.03476	18.6
119.92162	8.3
120.47778	8.2
136.20988	10.2
161.04594	10.5
163.11288	31.7
171.10330	12.2
179.05566	15.6
181.12291	9.0
199.09900	10.6
207.10236	39.7
220.09325	8.7
220.53125	8.2
229.41951	9.9
299.91772	7.4
305.21127	10.9
323.96552	8.4
341.10648	29.4
341.23178	48.2
341.26907	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	341.1089
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
51.58212	0.8
55.01880	1.2
57.03450	1.9
57.93847	0.8
58.00587	3.4
59.01381	100.0
60.01707	1.3
69.41573	7.2
71.01385	73.6
72.01705	1.2
72.99312	3.0
73.02939	1.5
83.01387	2.0
85.02947	8.6
87.00887	5.6
89.02448	88.3
90.02798	1.1
95.01408	4.7
99.00908	1.2
101.02448	35.3
102.82043	0.9
108.93212	0.9
113.01688	1.6
113.02458	27.8
114.02793	0.9
119.03510	33.7
131.03522	4.5
133.02942	1.1
134.42332	0.9
135.04541	7.4
143.03481	8.2
149.04553	3.1
161.02472	2.2
161.04570	11.3
179.03354	1.7
179.05621	36.9
180.05891	1.8
184.91771	0.8
234.68036	0.8
341.10904	39.3
342.11121	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.01883	1.3
57.03447	1.7
58.00601	3.6
59.01382	100.0
60.01711	2.1
61.92136	0.5
67.68139	0.6
69.03461	0.5
69.41472	3.6
69.41793	0.6
71.01385	69.7
72.01727	1.7
72.99307	4.5
73.02953	2.0
75.00867	0.6
83.01387	2.2
85.02959	10.0
87.00890	4.1
89.02448	86.8
90.02787	1.3
93.57253	0.5
95.01388	4.3
99.00871	0.7
101.02450	33.0
102.02787	0.8
107.03519	0.5
113.02454	27.3
119.03506	32.5
120.03872	0.9
125.02465	0.7
127.56456	0.5
131.03517	5.9
143.03484	7.9
149.04547	3.5
161.04568	9.8
171.96089	0.5
179.05612	34.2
180.05920	1.3
199.58095	0.5
276.77301	0.5
282.89334	0.5
341.10895	36.7
342.11252	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	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60864	0.4
59.01379	7.8
70.03670	1.9
70.87280	0.4
71.01388	5.8
72.99318	0.7
75.00883	0.8
78.09968	0.5
85.02972	0.8
87.00820	0.6
89.02455	4.7
95.01346	0.6
101.02443	2.1
107.05031	1.1
113.02457	2.0
119.03492	1.8
132.02197	0.6
133.02959	13.4
134.03770	2.7
135.04527	100.0
136.04849	4.8
137.02425	1.4
155.18329	0.4
161.02446	48.2
162.02797	2.5
163.03986	0.8
164.04785	0.8
177.01968	0.7
177.05522	0.7
179.03511	29.6
179.05548	3.2
179.07018	1.0
180.03802	2.1
195.05086	0.5
199.34821	0.4
201.19112	0.5
203.03511	0.9
205.53128	0.4
251.05612	0.6
281.07080	0.6
341.08456	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
55.78800	1.1
57.03433	2.0
58.00586	3.3
59.01380	100.0
60.01699	1.9
70.36681	4.7
70.94862	1.1
71.01382	66.1
72.99293	3.2
74.02455	1.8
85.02940	9.6
87.00861	4.9
89.02445	88.0
90.02757	2.3
95.01382	3.8
101.02445	33.9
113.01703	1.5
113.02454	27.8
119.03505	28.8
119.47549	1.4
131.03476	5.0
135.04517	4.0
143.03497	8.3
149.04526	2.9
161.04550	9.1
179.03406	2.2
179.05598	33.9
341.10901	38.7
342.11209	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	339.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27190	14.8
52.35511	16.5
56.43939	13.8
59.01375	75.5
61.98844	16.1
69.80653	63.8
71.01392	30.9
97.06580	26.4
101.08606	16.4
109.94171	17.6
141.78645	17.3
148.05240	15.3
151.11298	19.3
165.12877	23.3
177.01982	16.3
179.10814	22.5
181.12347	35.7
183.01225	53.7
189.09270	18.5
191.10645	16.9
209.11832	100.0
245.19031	30.8
289.18323	16.7
295.65369	17.4
307.19217	32.2
339.16217	48.9
339.19977	40.0
339.25244	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
53.29525	0.6
56.53036	0.6
61.96565	0.5
70.74038	1.6
74.53793	0.6
82.13090	0.5
84.28102	0.6
163.11290	100.0
164.11635	5.5
282.91864	0.6
339.23282	78.6
340.23566	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	339.254
Annotation	Borjatriol
Peak:m/z	Relative Intensity
54.38802	1.7
54.84228	1.7
57.03447	2.9
59.01372	8.8
67.27674	1.7
67.30524	2.0
71.21785	3.5
99.08144	2.8
111.08096	2.3
113.09719	4.2
115.07450	2.0
129.09203	7.3
152.51270	2.1
183.01208	4.7
195.13966	2.1
197.15445	2.3
209.15440	5.4
221.15352	5.4
225.15004	15.4
227.16522	7.9
239.16472	26.9
321.24362	19.7
339.19843	4.2
339.20807	3.6
339.25397	100.0
340.25729	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	341.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27964	0.6
58.00592	0.7
59.01374	5.5
71.01387	2.0
71.61812	1.1
87.00900	1.0
89.02437	3.9
101.02469	1.0
112.81766	0.7
113.02444	0.7
115.32885	0.7
119.03516	1.2
119.47299	0.9
133.02957	10.8
134.03752	3.4
135.04524	95.0
136.04837	3.8
137.02434	0.7
145.02994	0.9
161.02443	36.1
162.02815	1.6
163.04051	1.0
179.03493	100.0
180.03802	6.5
209.11813	1.0
251.09615	0.7
266.98453	0.7
298.14212	0.8
341.03052	1.1
341.10797	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	341.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20478	0.5
59.01378	10.6
66.83517	0.5
71.01382	7.0
72.99312	1.1
76.08925	0.5
83.05031	0.8
85.02959	0.8
87.00877	3.7
89.02452	6.4
92.11011	0.6
93.03458	12.1
97.06569	0.6
101.02422	2.6
103.00368	1.7
107.54337	0.5
108.02188	0.8
109.02956	3.5
112.98837	1.4
113.02457	2.4
115.05507	0.6
117.03425	1.0
119.03492	1.9
119.05022	5.1
121.02953	5.6
123.04551	0.8
125.09711	0.6
129.03465	1.9
130.04204	2.1
131.05055	6.0
132.02226	0.7
132.06664	1.3
133.02945	0.9
133.62689	0.6
134.03700	0.9
135.04526	17.6
136.04857	0.8
137.02423	1.1
143.05014	1.6
145.02975	0.7
145.06584	0.6
146.03799	2.8
147.03343	0.9
147.04521	17.3
147.69077	0.6
148.04858	1.2
158.03702	1.9
159.04530	9.9
160.04860	0.8
161.02461	3.9
161.04533	1.1
163.03998	0.9
167.08974	3.1
168.09309	5.0
169.08636	1.2
171.10237	1.1
173.02437	0.6
174.03238	1.7
175.03996	6.9
176.04410	0.7
179.03496	13.6
179.05583	2.3
180.03775	1.0
187.03807	0.7
189.01868	1.1
201.11314	0.9
207.08156	0.6
210.06827	0.5
211.07968	5.2
212.08307	11.2
213.07558	1.8
215.12859	1.3
217.01357	0.6
219.02980	2.7
225.05510	0.7
235.07635	1.0
235.13388	0.8
236.08372	1.3
238.06328	2.0
251.07158	2.6
252.07912	3.3
253.08687	100.0
254.09052	10.4
267.06641	1.7
282.08862	0.6
293.02902	1.5
297.07700	3.5
297.10815	1.0
305.17337	1.3
309.07828	0.6
341.06595	1.4
341.10742	3.3
341.14297	0.5
341.19690	2.3
341.23373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.06357	0.4
51.62770	0.4
59.01380	2.5
61.40438	0.4
64.99380	0.3
69.87563	2.1
71.01376	2.1
75.00869	1.5
85.02950	0.6
87.00890	0.5
89.02455	2.0
93.03458	1.0
98.19965	0.5
101.02460	1.0
107.05025	1.6
113.02450	0.7
114.30924	0.4
117.51142	0.3
119.03486	0.6
119.05016	0.6
123.24838	0.3
129.01910	0.5
134.03723	4.4
135.04526	100.0
136.04854	5.0
137.02451	1.1
145.02922	0.5
149.02515	0.4
149.06076	0.4
161.02440	0.9
163.04079	0.6
179.03496	84.9
179.05484	3.0
180.03844	4.9
180.05409	0.5
180.05930	0.3
195.05104	2.1
215.21873	0.4
281.06665	0.6
341.08575	3.9
342.08923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.67292	0.3
51.32942	0.3
54.95535	0.3
58.00610	0.4
59.01381	7.0
71.01389	3.8
71.34915	0.9
81.80350	0.3
85.02956	1.5
87.19255	0.4
89.02448	3.2
99.82374	0.4
101.02441	1.5
105.03365	0.4
109.02975	0.4
113.02460	1.6
117.03487	0.5
119.03506	1.1
132.02167	1.1
133.02962	24.6
134.03448	1.1
135.04526	18.5
136.04840	0.7
149.06036	0.6
149.81404	0.4
161.02448	100.0
162.02785	5.9
177.01907	0.8
177.05553	1.3
178.02356	0.6
179.03505	24.0
179.05486	1.1
180.03879	1.2
182.22166	0.4
185.39047	0.3
193.04959	0.4
203.03502	2.2
221.04594	1.3
251.05576	0.9
281.06662	2.0
284.52466	0.3
309.69012	0.3
341.08673	10.0
342.09152	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1296
Annotation	Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01880	10.6
57.03453	5.3
58.00584	2.3
58.55450	1.2
59.01379	78.4
61.98832	13.4
69.00610	1.2
71.01384	71.8
71.60265	1.8
72.01704	1.3
72.99289	4.4
73.02948	37.9
75.00848	2.4
81.03432	1.7
83.01387	19.8
85.02950	55.3
86.00078	1.6
86.03287	1.1
87.00864	4.9
89.02444	16.0
90.64013	1.1
95.01385	7.5
95.74632	1.1
97.02962	3.3
99.00894	10.6
99.04542	1.2
101.02445	100.0
102.02775	1.9
113.02450	30.8
114.82108	1.2
115.03983	1.2
119.03477	2.8
123.69296	1.1
125.02441	1.6
129.01968	1.2
131.03439	1.5
133.02992	1.5
135.04573	1.3
135.06648	5.5
143.03470	6.6
149.01013	1.1
159.02983	6.7
159.04117	1.2
161.04555	28.1
177.01929	7.8
177.07687	39.6
178.08029	1.5
179.05634	2.7
201.07605	1.9
207.08717	3.8
209.77882	1.1
221.06664	3.7
237.09805	4.5
279.10910	3.4
279.76151	1.2
297.11865	5.0
339.08508	1.9
339.12897	40.8
340.13330	3.3
362.79654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94159	14.0
59.01374	63.1
71.61282	28.6
74.26326	15.3
94.58857	17.5
97.06574	35.0
97.86678	15.8
148.70201	16.6
151.11345	26.2
165.12856	62.0
171.80170	18.2
177.01790	16.0
181.12335	48.0
183.01183	20.5
188.05251	15.5
189.09230	35.9
209.11800	100.0
239.95665	17.4
245.19250	23.5
289.18344	28.4
307.19028	36.4
339.16183	52.1
339.21671	33.3
339.32669	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	337.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.1
60.39581	1.5
67.54241	1.4
70.63611	3.8
71.66740	1.4
74.66981	1.5
77.72950	1.4
78.95876	1.7
81.97650	1.4
83.04993	1.7
90.28916	1.8
96.96010	2.1
97.02928	1.8
111.08171	31.7
112.08511	2.5
115.01234	1.4
127.07637	2.9
137.45061	1.7
153.04243	1.6
179.14558	1.7
195.13846	1.9
197.15416	7.6
207.13940	3.3
209.15450	5.3
221.15576	2.0
225.14967	100.0
226.15337	10.4
227.16498	6.9
239.16502	14.2
255.16072	2.6
261.42197	1.8
283.22171	1.8
291.19980	3.8
291.23306	10.9
293.21091	2.7
301.21509	2.8
309.20544	1.9
319.22784	23.8
320.22977	2.4
337.19922	2.7
337.23871	48.3
338.24274	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	339.0719
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
50.33926	0.3
50.99738	0.3
58.72330	0.4
59.01373	2.6
65.00318	0.7
65.03965	1.5
67.01886	0.9
68.99793	0.4
69.56226	2.0
69.56644	0.7
70.69477	0.3
75.98732	0.3
77.76664	0.4
80.02678	0.6
87.00858	0.6
91.01894	51.5
92.02237	1.5
103.00351	0.5
107.01401	0.4
108.02169	1.1
109.02198	0.7
109.02954	13.9
110.03252	0.7
112.98827	0.3
121.02959	1.3
123.04514	0.9
125.65069	0.3
133.02959	1.5
135.00885	100.0
136.01152	4.5
137.02457	3.4
149.02431	1.5
153.01938	63.4
154.02272	3.4
161.02461	1.8
163.03932	0.4
177.01923	1.3
180.47527	0.4
189.01917	1.3
207.06596	0.4
279.05029	0.8
297.06152	0.8
322.64737	0.4
332.07227	0.5
339.07190	25.4
340.07501	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	339.072
Annotation	AESCULIN
Peak:m/z	Relative Intensity
52.36349	0.2
53.37899	0.2
58.29393	0.2
59.01378	0.5
69.57206	1.5
80.34385	0.2
81.03484	0.4
85.31340	0.2
89.03977	1.6
91.04304	0.2
93.03461	0.3
93.09211	0.2
95.05026	0.4
96.59496	0.2
104.02675	0.3
105.03470	3.1
109.02969	0.2
109.96089	0.2
121.03023	0.2
131.25478	0.3
133.02960	9.1
134.03296	0.5
135.04515	0.5
149.02443	1.0
176.01134	0.8
177.01924	100.0
178.02266	5.5
251.09183	0.2
339.07187	4.8
340.07550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58025	1.5
58.00589	4.7
59.01379	100.0
69.67417	9.3
72.99298	4.8
87.00882	39.1
91.35455	1.4
103.00367	43.4
103.05515	1.8
104.27252	1.3
104.37254	1.4
112.98813	2.9
119.05019	4.7
130.99849	15.9
131.05017	4.8
133.06558	4.2
133.94453	1.5
134.50281	1.5
137.09637	1.5
147.04539	3.1
149.06052	1.8
157.98933	1.9
207.06627	97.7
208.06950	5.7
253.32379	1.5
288.72513	1.6
332.65729	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	339.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39833	1.0
58.00581	3.0
59.01379	100.0
69.58166	3.4
69.58598	4.8
72.99307	4.7
87.00875	34.5
103.00373	42.9
112.98825	2.9
116.94486	1.0
130.99867	16.2
152.22314	1.0
171.10289	2.6
175.59489	1.1
202.09093	1.0
207.06596	26.2
208.07007	2.4
243.54968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1235
Annotation	Licoflavanone
Peak:m/z	Relative Intensity
52.77517	1.1
55.84841	1.2
59.01369	4.8
61.46083	1.2
63.02399	11.7
64.99989	1.7
65.00320	20.3
71.53362	1.5
83.01389	10.9
85.45718	1.1
100.93777	1.2
103.11005	1.1
106.04250	2.3
107.00694	2.4
107.01390	34.1
121.02954	10.9
125.02486	1.5
132.05812	28.4
132.16054	1.4
147.04506	14.0
148.04906	1.3
151.00366	68.9
152.00713	3.0
161.09761	9.0
164.04784	12.1
165.01959	2.4
166.65085	1.1
169.01410	8.7
177.01926	9.3
183.01231	5.4
187.11279	74.1
188.11623	5.2
193.10240	7.8
207.08516	1.2
207.11719	2.2
213.09160	1.7
217.88171	1.3
225.05658	1.4
241.14474	2.1
251.07057	2.4
251.10771	4.1
295.09787	16.9
339.08652	17.3
339.12354	100.0
340.09024	3.0
340.12680	13.5
340.16406	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46387	0.8
55.01875	4.1
57.03445	3.3
58.09787	0.9
59.01380	34.4
60.54548	0.9
69.03453	1.4
70.36064	2.1
70.36418	1.7
71.01384	34.6
72.99323	2.6
73.02950	20.8
75.00884	1.9
79.85192	1.0
83.01380	9.2
85.02952	19.7
87.00893	2.1
89.02431	10.2
95.01394	3.2
99.00890	6.9
101.02447	45.0
102.02773	1.6
102.71781	0.8
111.00845	1.4
113.02444	15.3
118.68794	0.9
119.03507	1.3
125.02480	2.7
129.01967	1.9
131.03502	3.4
143.03500	1.7
159.02965	3.3
161.04562	11.6
168.90556	0.8
172.43617	1.0
177.01941	5.0
180.08774	0.9
207.08731	100.0
208.09047	6.0
233.06590	1.4
339.12952	58.7
340.13446	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	337.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
59.01382	6.0
60.82893	1.4
63.89764	1.6
71.01390	1.5
88.38503	1.6
98.19784	3.0
109.06557	2.0
111.08159	37.5
127.07648	2.5
135.04520	20.2
197.15584	7.6
207.13965	2.0
209.15475	2.3
211.17105	2.0
225.14951	100.0
226.15279	8.0
227.16512	5.5
239.16484	11.5
240.16794	1.7
255.16017	2.5
291.23190	5.4
293.21054	2.0
319.22733	20.6
320.23236	4.0
337.10760	4.8
337.16620	3.2
337.23853	38.5
338.24081	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	337.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49945	3.5
57.03451	8.4
59.01371	10.6
69.80533	3.5
70.02879	15.8
82.17865	3.4
83.05013	3.7
85.06571	6.5
87.72454	3.4
88.14457	3.7
96.96022	8.0
103.54128	3.7
109.06517	3.4
111.08150	15.2
138.19109	3.2
152.97209	3.2
185.73865	3.5
195.13812	5.1
197.15465	5.4
199.13295	5.8
207.13959	4.4
207.17490	6.0
211.34729	3.8
223.16985	21.5
225.14949	33.9
239.16541	4.2
249.18588	32.2
250.19141	3.8
251.16451	12.9
261.18494	3.7
267.19574	7.1
279.19531	5.5
301.21667	6.3
319.22797	72.3
320.23096	10.1
337.17166	4.6
337.20062	7.2
337.23822	100.0
338.23978	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	337.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.3
59.01384	100.0
68.00695	1.2
69.03467	2.1
70.82535	3.7
74.53172	1.2
85.02948	2.3
96.96008	3.6
97.02961	21.6
105.91089	1.3
119.08639	1.3
123.08154	1.3
128.27190	1.3
137.09717	9.6
193.15930	1.3
199.13409	12.3
200.13751	1.6
221.15440	5.4
239.16443	2.0
249.14867	1.8
277.21637	6.3
288.34009	1.2
295.22781	39.2
296.23044	2.2
319.22784	23.4
320.23126	3.2
337.19913	3.1
337.23846	53.9
338.24051	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	337.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20625	0.8
55.01875	1.3
57.03428	1.3
59.01380	9.6
68.99808	3.0
69.03477	1.1
71.01377	6.6
71.60299	1.4
72.99304	1.3
73.02937	2.2
73.05665	0.9
75.00866	1.1
78.95908	4.2
83.01389	2.0
85.02938	6.4
85.30572	1.1
87.00862	3.6
89.02430	2.1
95.01353	2.0
96.96971	1.2
99.00896	6.1
101.02432	3.5
110.98506	2.9
111.00872	3.4
111.02016	5.7
113.02410	6.2
113.99581	19.9
115.00388	7.3
115.03989	1.1
117.03548	0.9
119.03506	1.1
119.05051	2.0
127.00373	3.8
129.01913	4.1
130.75026	1.2
139.00365	1.5
144.06639	2.3
157.01436	4.5
164.07156	1.5
169.01451	1.1
174.01680	17.7
175.02362	2.3
175.09697	2.2
180.09843	1.0
186.84711	0.9
241.52222	1.2
263.71631	1.1
271.10944	1.6
277.05609	19.7
319.12634	1.3
337.07755	100.0
337.14911	11.4
338.08069	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	337.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	28.6
71.01387	4.3
71.05022	2.0
73.02921	2.0
76.16522	1.9
83.01402	2.1
85.02958	3.9
86.02487	8.2
87.00892	7.7
89.02459	4.3
99.00883	2.9
101.02438	2.2
106.06628	2.9
108.04543	4.5
113.02481	3.4
120.04539	4.4
121.05358	5.6
122.06116	20.4
124.04029	3.2
126.53651	2.2
134.06117	16.0
136.07690	17.6
137.02402	2.4
146.06094	2.3
147.05627	6.2
149.04834	29.9
158.06129	2.4
160.07639	3.1
161.04741	5.9
162.05586	6.7
164.07179	31.3
174.09273	5.4
175.09673	4.2
177.10365	10.4
184.07758	2.4
186.09225	3.0
187.08649	3.1
189.06696	7.2
198.07837	2.2
199.08682	3.3
200.10951	2.7
201.10309	3.7
202.08736	5.2
206.08217	3.1
211.08780	2.9
213.10367	2.7
214.07262	2.5
215.11858	5.7
219.11426	20.4
220.09647	4.7
220.11703	2.7
225.10330	3.0
227.08331	4.4
228.09010	8.3
229.09843	31.4
237.12378	4.9
239.08296	3.2
240.09027	3.5
241.09804	10.2
242.07008	3.8
243.11354	27.6
244.11833	3.1
247.10840	16.0
253.09744	2.9
255.11284	2.4
256.08521	2.2
259.10867	11.6
270.10101	7.4
271.10861	100.0
272.11185	6.8
273.12396	3.2
277.11984	23.0
283.10934	6.3
289.11981	32.3
290.12280	3.5
301.11935	45.5
302.12225	5.5
307.13007	2.5
319.12988	55.8
320.13315	6.4
337.14276	43.7
338.14618	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25042	0.7
57.63021	0.7
57.93022	0.7
59.01382	100.0
60.01712	1.2
67.01867	0.9
70.94842	1.1
70.95160	1.1
71.01372	4.5
72.99319	1.2
73.02967	1.0
77.33456	0.7
83.05072	1.0
84.63149	0.7
85.02958	2.4
87.00887	2.1
89.02438	1.3
93.03460	6.7
98.87426	0.8
99.00920	1.0
101.02470	2.2
108.04602	1.6
109.02978	1.5
109.71137	0.7
113.02477	1.4
115.92117	1.7
119.03563	1.0
119.05041	4.3
122.06093	0.8
128.03616	0.9
135.04588	2.9
137.02455	0.8
149.02496	0.8
152.03555	2.1
152.07323	0.7
156.30869	0.7
161.07239	0.7
163.04022	3.1
166.57979	0.7
173.04573	9.7
173.25935	0.6
174.04980	0.7
175.03999	1.0
179.03419	1.6
188.82509	0.8
189.05428	0.7
191.05614	13.5
200.37498	0.8
209.14960	0.7
211.07809	0.8
272.57556	0.8
283.77429	0.8
295.13083	0.8
337.09268	1.1
337.14450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
55.06719	0.6
59.01383	4.7
64.35553	0.8
65.40791	0.8
68.99792	3.6
69.77650	4.5
70.02979	0.8
71.01382	5.7
72.09610	0.8
73.02936	1.8
75.00885	1.6
78.95463	1.4
78.95905	22.6
83.01382	2.3
85.02947	8.4
87.00855	3.0
89.02455	2.0
95.01429	0.9
97.02929	0.9
99.00883	5.5
101.02437	2.7
105.91619	0.7
110.98537	26.5
111.00808	2.0
111.02012	37.9
113.02437	7.4
113.99588	19.3
115.00386	8.1
127.00364	2.7
129.01965	2.7
129.08141	0.7
141.01952	0.8
142.99857	1.3
152.99582	6.9
157.01407	5.8
157.06491	0.9
164.03552	1.5
169.01346	1.7
174.01695	18.0
175.02438	2.3
197.96291	0.7
207.00670	1.4
225.01659	1.6
277.05652	18.3
278.06085	1.0
294.03815	2.8
337.04327	15.5
337.07788	100.0
338.08060	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	335.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36911	0.7
56.21727	0.6
58.21926	0.7
59.01369	2.9
69.03458	3.2
71.05032	3.2
76.73837	0.6
81.03461	10.6
81.83382	0.7
83.05022	0.9
84.02159	2.5
85.06557	0.7
87.00864	1.9
97.06586	1.5
99.04545	5.1
125.09708	0.8
134.03754	0.9
135.04482	0.7
163.02695	0.7
163.77336	0.6
217.15979	2.4
219.17543	100.0
220.17885	9.5
238.79030	0.7
248.13695	0.6
259.20590	0.8
261.22247	12.1
262.22488	0.9
265.05270	0.7
273.22269	26.0
274.22592	3.1
289.21817	1.0
291.23325	16.5
292.23712	1.7
305.21243	4.9
317.21255	6.1
318.21405	1.4
335.22302	40.5
336.22675	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	335.223
Annotation	20-Hydroxy-5-HETE
Peak:m/z	Relative Intensity
50.36911	0.7
56.21727	0.6
58.21926	0.7
59.01369	2.9
69.03458	3.2
71.05032	3.2
76.73837	0.6
81.03461	10.6
81.83382	0.7
83.05022	0.9
84.02159	2.5
85.06557	0.7
87.00864	1.9
97.06586	1.5
99.04545	5.1
125.09708	0.8
134.03754	0.9
135.04482	0.7
163.02695	0.7
163.77336	0.6
217.15979	2.4
219.17543	100.0
220.17885	9.5
238.79030	0.7
248.13695	0.6
259.20590	0.8
261.22247	12.1
262.22488	0.9
265.05270	0.7
273.22269	26.0
274.22592	3.1
289.21817	1.0
291.23325	16.5
292.23712	1.7
305.21243	4.9
317.21255	6.1
318.21405	1.4
335.22302	40.5
336.22675	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	337.0775
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
57.03429	0.7
59.01370	2.0
60.04349	0.5
61.59674	0.6
68.99815	3.4
69.03423	0.8
71.01391	4.1
71.60345	0.7
72.99320	1.0
73.02953	1.3
75.00858	1.0
77.48322	0.6
83.01391	2.0
85.02946	7.4
87.00886	3.4
89.02461	1.0
95.01390	1.5
96.04541	1.0
97.02944	0.5
99.00886	5.4
101.02428	2.2
105.01917	0.8
111.00880	2.3
113.02430	7.4
113.99589	20.9
115.00394	7.4
127.00375	3.2
129.01952	2.2
133.01399	1.9
139.00415	1.0
141.01930	0.8
145.54619	0.5
145.61479	0.7
157.01431	6.0
158.04535	0.9
165.04002	1.0
167.55424	0.5
169.01440	1.6
174.01692	17.5
175.02425	1.8
208.96352	0.6
227.92908	0.6
263.12918	0.6
277.05627	20.8
278.05896	1.5
324.68784	0.7
337.07755	100.0
338.08032	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	334.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93499	1.1
51.99063	1.0
55.34024	1.1
59.01376	19.4
59.86382	1.0
65.33929	1.4
71.01385	19.5
71.60307	1.7
73.02947	4.1
74.65585	1.1
84.04552	4.0
85.02950	4.7
87.00864	4.0
89.02436	15.5
94.03024	1.2
95.01398	1.3
98.02473	1.4
99.00909	1.4
101.02434	12.0
112.04045	100.0
113.02460	9.2
113.04387	3.4
119.03516	5.7
131.03485	3.5
136.04041	31.1
137.04413	1.2
143.03612	1.3
154.05031	2.2
161.04532	7.1
179.05521	2.2
221.06650	4.4
238.59056	1.2
334.07623	1.9
334.14911	1.4
335.09937	1.7
335.13721	1.5
343.70187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2023
Annotation	Ankorine
Peak:m/z	Relative Intensity
57.03439	9.2
59.01363	3.1
69.03436	2.6
71.30492	1.9
80.00228	1.4
81.03455	1.6
83.05022	27.2
86.06101	1.4
88.10128	1.2
90.06977	1.3
92.04995	1.2
93.03438	5.3
94.02952	1.9
94.06614	2.0
95.05016	3.7
96.03939	2.7
96.04552	48.2
97.06573	6.8
102.35595	1.6
106.04227	20.2
107.05033	16.9
109.06565	2.3
110.06120	2.0
112.07679	100.0
113.08007	3.9
119.05014	3.5
125.36450	1.4
129.46400	1.3
130.52849	1.1
138.03198	3.2
149.09694	2.5
159.11786	5.1
175.11220	2.6
177.12836	67.1
178.13156	4.8
183.08072	2.2
185.09715	3.5
195.13889	5.7
203.10759	79.5
204.11086	4.8
221.11824	40.2
222.12114	2.6
229.12343	4.5
237.14935	52.8
238.15251	4.7
239.12836	3.6
247.13351	18.6
248.13780	1.4
249.14998	1.5
272.20184	9.8
298.18021	14.4
316.19156	73.3
317.19574	8.6
334.20212	63.1
335.20615	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	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16210	0.8
52.79520	0.9
54.86616	0.9
55.01876	1.1
57.03440	1.6
58.00584	4.6
59.01383	87.8
60.01701	1.0
69.55489	2.2
69.55888	6.1
71.01384	49.9
72.99304	4.2
73.02962	1.8
75.52023	0.9
83.01389	2.2
84.01800	1.0
85.02953	8.5
87.00879	1.5
89.02449	50.7
95.01431	1.9
101.02449	36.5
101.41348	1.0
113.02452	16.6
119.03501	24.3
124.77737	1.0
131.03519	2.8
138.05626	2.1
143.03484	2.4
149.04546	1.7
155.07159	5.5
161.04524	1.7
173.08171	4.5
179.05618	3.2
247.56006	0.9
271.41110	1.1
293.12152	1.0
335.13492	100.0
336.13800	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	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23289	1.6
59.01379	97.1
61.42329	1.8
69.36473	10.7
69.36880	5.0
71.01379	2.0
80.05073	6.2
81.03430	1.9
87.00806	2.0
94.03071	1.9
94.06617	16.9
107.03777	3.9
108.04547	17.8
113.02454	1.9
113.06086	52.3
114.06393	3.0
120.04569	8.2
122.02499	3.6
122.06127	4.7
123.02815	1.9
124.07683	6.7
135.04562	4.0
136.01649	2.9
136.04033	3.4
137.83911	1.8
138.05612	7.5
148.04068	8.3
150.05559	9.9
152.01669	1.8
166.05096	99.9
167.05437	5.8
168.03024	2.0
194.04556	7.6
210.04079	100.0
211.04449	6.4
215.11859	5.6
248.02466	1.9
273.12427	2.6
311.00696	1.9
317.11377	5.1
335.12549	25.6
335.16653	2.3
336.12698	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	335.2222
Annotation	Sphaeropsidin F
Peak:m/z	Relative Intensity
57.03463	3.7
60.56490	2.5
69.31969	2.7
69.42644	2.4
69.98311	6.0
69.98716	9.9
81.03490	3.0
88.23878	2.2
96.95996	6.2
97.06555	7.0
98.20672	3.6
123.04507	4.2
131.80792	2.5
137.09761	5.7
142.41423	2.3
149.06158	2.9
153.12862	11.4
165.12843	3.4
191.14445	3.0
193.15912	4.1
209.15446	9.0
213.14973	15.4
235.13351	11.0
237.14960	69.7
238.15303	7.8
253.14478	6.9
264.00601	2.7
273.22220	7.9
299.20142	4.6
317.21234	100.0
318.21530	10.9
335.18750	5.1
335.22275	36.3
336.22577	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	333.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.0
57.14928	1.3
58.00584	5.0
59.01381	100.0
68.76369	1.4
69.74076	3.8
69.74485	4.6
71.01382	3.8
72.99303	6.2
75.36345	1.2
78.95905	5.4
85.02970	2.2
87.00877	40.4
87.04497	11.9
96.96017	2.3
101.01099	1.4
101.02431	1.9
102.53403	1.4
103.00375	50.0
110.02460	1.7
112.03973	1.9
112.98805	5.9
121.03011	1.7
122.06124	1.9
127.20998	1.4
130.99858	29.0
135.04501	6.1
139.11224	1.4
149.00900	3.1
152.99562	5.0
179.03560	2.1
187.05080	1.8
201.11317	18.9
202.08725	1.4
245.34692	1.3
246.07722	1.7
271.10785	2.0
289.12006	3.3
333.06158	5.2
333.11740	11.4
333.19098	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	333.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	3.8
59.01381	100.0
60.01703	1.4
68.99818	2.0
69.71449	6.8
71.01372	3.5
71.05003	1.6
72.99303	6.5
74.44232	1.1
78.95911	5.1
85.02972	2.1
87.00884	42.6
87.04517	17.2
89.02434	2.0
96.96014	1.2
97.02949	1.0
97.74466	0.9
98.19862	1.3
101.02448	1.2
103.00379	56.0
108.04555	1.5
112.04057	1.1
112.98795	5.6
122.06093	1.9
130.98950	1.8
130.99879	27.6
131.46750	1.1
131.99028	1.0
135.04503	4.7
139.11240	3.9
141.69780	0.9
149.00885	3.4
149.02228	0.9
152.99547	2.6
158.25652	1.0
162.05574	1.0
179.03520	1.2
187.05139	1.7
201.11345	17.3
202.11597	1.5
241.01170	1.9
245.05580	1.4
258.85553	1.1
271.10791	2.2
285.83051	1.2
289.11826	3.7
333.06177	4.7
333.11752	9.8
333.15070	1.1
333.19144	1.8
334.12033	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14598	0.9
56.01469	0.9
56.32039	0.9
59.01371	3.1
60.59826	1.2
69.28657	10.4
69.28986	1.6
78.03445	1.3
80.05053	4.6
92.05047	2.6
94.06625	4.4
104.05073	2.2
105.03479	1.3
106.06624	12.0
107.05044	1.1
108.04564	2.2
120.04564	4.8
121.05330	1.3
122.06126	13.1
123.03252	1.1
124.04023	1.4
132.04565	7.3
136.03993	1.5
138.05612	18.4
139.04012	2.7
148.04053	1.8
150.05608	2.9
152.07224	2.2
164.03632	1.5
166.05046	1.0
168.86246	1.2
174.98096	1.0
188.07121	1.5
189.07889	1.1
203.09236	1.0
215.11848	2.9
217.07458	1.8
241.09828	2.9
243.11311	2.4
289.11938	100.0
290.12286	11.3
293.80157	1.2
333.10931	11.1
334.05527	1.1
334.10220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34441	0.3
54.61373	0.3
56.61379	0.3
59.01369	0.7
62.09958	0.3
64.01920	0.5
69.42329	2.6
78.03483	0.9
80.05053	0.5
92.05059	2.1
94.03002	0.6
94.06628	4.0
97.61809	0.4
98.19902	0.6
104.05061	2.8
105.03458	2.2
106.03026	0.5
106.06624	11.8
107.03764	0.7
108.04552	1.7
112.98794	0.3
120.04556	5.6
121.05317	1.1
122.02496	0.8
122.06126	13.4
123.03294	2.1
124.07687	0.9
131.03784	0.8
132.04546	7.7
133.04863	0.5
133.16235	0.3
135.03250	0.7
138.05611	22.1
139.05942	0.9
148.04033	0.6
150.05606	3.0
152.07178	0.3
158.50546	0.3
159.06836	0.6
164.03474	0.5
166.05084	0.7
172.07570	0.4
174.12834	0.5
182.35739	0.4
184.11334	0.4
189.07933	1.0
195.92273	0.3
197.07228	0.4
202.12378	0.4
213.06728	0.6
215.11887	1.6
217.07478	1.6
218.07697	0.3
227.11980	0.4
229.09811	0.9
231.09103	0.7
231.11342	0.9
241.09819	2.7
243.11343	1.7
256.08417	0.4
259.10925	0.5
271.10818	1.2
289.11935	100.0
290.12289	10.3
333.10895	7.7
333.14658	0.5
334.11380	0.7
352.11954	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24474	0.4
59.01379	6.8
71.01383	4.3
71.60435	0.4
72.99316	1.2
73.01166	0.5
73.02941	0.9
78.95906	1.2
85.02946	1.3
87.00872	1.6
89.02459	2.9
94.06625	0.5
95.01358	0.5
95.03810	0.5
96.08218	0.8
97.01698	0.8
101.02458	2.7
103.00368	0.9
109.01752	0.5
109.05299	1.0
113.02462	2.1
119.03503	1.3
122.06118	1.0
124.07695	6.7
128.03610	0.5
135.04523	1.4
137.04846	3.9
140.07162	1.0
149.00931	0.7
152.07176	100.0
152.99643	1.3
153.07527	4.9
161.02470	0.7
161.04591	0.7
169.03793	0.6
170.08263	1.2
179.03464	0.6
201.11311	0.5
203.07536	0.5
212.09207	0.5
241.01282	0.9
271.10950	0.7
289.11847	0.7
332.13571	4.7
333.05939	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0596
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
51.50699	0.2
55.24553	0.2
62.96415	0.2
70.31876	0.9
78.95907	100.0
81.51349	0.3
83.49065	0.3
95.36671	0.3
96.96965	18.9
109.64800	0.2
128.46750	0.2
150.98003	1.2
152.99593	85.6
153.99921	1.9
168.99530	0.2
171.00647	9.6
223.00082	1.2
241.01192	42.1
242.01526	2.0
259.02237	2.5
277.52780	0.3
328.99435	0.3
333.05930	94.1
334.06274	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	333.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.7
71.01389	9.0
75.89931	3.3
78.95908	100.0
86.13079	3.7
89.02454	7.3
96.96970	22.7
101.02461	9.8
119.03526	6.1
119.86191	3.9
145.06252	3.8
152.99582	70.2
160.91547	3.9
171.00677	6.8
179.05606	4.2
187.73479	3.5
241.01141	36.4
245.73500	4.4
297.11920	33.4
302.63077	4.4
333.05881	78.3
333.09644	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76468	2.3
59.01376	25.8
63.69007	2.6
66.53770	2.6
71.01390	12.9
71.59698	3.7
72.63345	2.5
73.02952	4.4
78.95890	7.3
85.02967	5.8
87.00877	5.4
89.02441	14.9
101.02441	10.2
112.04051	100.0
113.02444	9.5
119.03508	6.5
127.37299	2.8
136.04048	32.6
152.99564	7.2
161.04518	4.2
190.26488	2.5
192.20364	2.6
221.06656	5.4
241.01266	3.1
297.11938	5.1
333.05875	8.1
333.09628	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	331.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12191	0.8
52.83123	0.8
54.43309	1.0
59.01389	4.9
68.99809	4.3
69.38709	5.7
69.39125	2.7
71.01387	1.2
74.49956	0.9
76.00736	1.0
80.94803	0.8
84.04551	7.9
86.02486	2.6
87.00874	2.7
88.73199	0.9
94.02986	3.2
94.06615	2.0
95.03770	13.3
96.00874	1.4
96.04583	2.1
96.08173	7.3
96.96030	2.2
97.01707	4.9
98.20675	2.1
103.00386	2.0
110.06123	2.8
112.04048	6.5
112.98804	1.7
116.05064	31.1
117.05443	1.3
118.06643	10.1
120.04548	1.4
123.03277	6.6
124.07684	53.5
125.08054	1.6
130.18933	0.9
134.06183	2.3
135.04561	1.5
137.04832	2.7
138.05611	8.9
144.04552	90.1
145.04877	4.4
146.06108	2.5
146.87256	0.9
147.03302	1.3
160.04001	1.0
162.05609	99.7
163.06036	7.4
177.04285	1.3
185.07251	0.9
188.03525	21.4
189.03883	1.5
195.05325	2.2
199.03975	1.5
199.09770	0.9
199.13409	9.3
217.13434	3.6
227.03532	1.8
240.21353	1.0
241.13449	14.5
259.14505	2.3
269.12949	17.5
270.05286	2.2
270.13324	1.4
271.05954	1.8
272.06433	0.9
279.92242	1.2
285.07764	5.5
287.14008	100.0
288.14331	10.5
300.09961	5.3
301.07254	1.6
301.10703	2.0
331.08636	1.2
331.12726	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	331.9961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.7
60.01732	0.8
61.98832	100.0
63.31227	0.5
70.97505	0.7
70.97826	0.6
72.99327	0.8
73.15621	0.5
73.58531	0.5
75.52867	0.4
80.36683	0.4
117.00453	0.8
130.99309	0.9
138.56921	0.5
152.93271	0.4
157.03575	0.9
158.98839	1.5
159.01500	5.5
160.01665	2.3
161.01247	3.2
161.98978	4.3
162.01790	0.6
171.97386	2.6
174.98268	9.9
180.26018	0.5
181.90486	0.5
187.01019	1.8
188.00684	4.6
189.00725	4.8
189.96858	1.6
189.98457	47.3
190.00279	2.9
190.98384	3.3
200.99844	2.5
201.02559	18.1
201.04475	0.7
202.02768	1.8
203.02460	0.8
203.99995	9.8
206.96779	1.0
228.99339	1.0
230.97301	2.1
232.98346	0.9
234.96263	1.1
272.98660	0.7
276.97424	0.8
290.99405	8.4
291.99658	0.7
300.97461	0.7
302.95056	0.4
304.96768	2.5
313.98676	0.8
328.96899	0.6
330.94763	0.7
331.98087	1.1
346.97864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	1.4
59.01379	27.4
59.46608	0.6
65.26363	0.7
70.10361	1.9
70.10772	1.3
72.99303	1.4
79.28398	0.7
87.00875	19.3
98.20651	0.9
103.00365	9.1
124.82390	0.7
130.99837	4.2
135.08139	0.8
137.09709	5.8
150.96475	0.6
155.10777	93.0
156.11099	4.8
199.09750	100.0
200.10033	6.2
331.10458	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1032
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.03456	1.7
59.01381	4.7
61.98828	0.9
62.94192	0.6
64.86637	0.6
66.83691	0.6
67.07782	0.6
71.01394	3.5
71.60458	0.7
72.79979	0.6
73.02924	0.7
73.31764	0.8
74.02470	0.7
76.51647	0.7
77.83370	0.7
80.37112	0.6
82.09975	0.6
83.01404	3.5
84.00908	8.5
85.02963	3.4
87.00882	2.2
89.02428	1.0
94.64784	0.8
98.02513	0.7
99.00896	0.9
101.02473	1.1
103.00393	1.0
110.00092	7.2
113.02496	3.3
113.03195	0.8
114.01956	1.4
123.00903	0.8
123.04504	1.5
123.20512	0.8
124.03979	0.7
125.02448	16.4
126.01971	0.8
126.05619	1.4
128.03540	1.0
135.04498	0.8
136.01637	0.8
137.02513	1.0
137.99594	7.4
139.00336	2.4
140.01180	0.7
145.57796	0.7
151.00368	3.3
151.03967	1.0
152.01143	2.3
153.01941	100.0
154.02551	4.6
155.03496	1.6
158.51747	0.7
161.04628	1.0
164.51689	0.7
167.03506	12.7
168.04279	52.2
169.01433	12.1
169.05040	12.9
169.06274	1.8
170.01926	0.7
179.03416	0.9
183.07852	0.7
191.03409	1.1
196.03748	0.8
209.04640	1.0
211.07506	3.2
224.08276	0.7
331.07068	3.5
331.10208	4.5
331.13736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1196
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.28456	0.9
55.01873	0.8
58.00602	1.0
59.01383	9.6
61.98814	1.4
68.99805	1.4
71.01383	6.9
71.08858	2.1
72.99304	1.5
82.03012	1.1
83.01373	1.1
83.36700	0.7
85.02951	3.6
86.00085	4.2
86.02522	1.2
86.12775	0.7
87.00883	19.8
88.04048	1.0
89.02448	2.5
94.03024	0.9
94.06609	0.8
95.01387	1.2
96.00945	1.0
96.04571	1.0
99.00865	2.4
101.02435	3.5
106.90102	0.8
107.03766	1.9
108.02159	1.3
108.04572	1.4
110.02486	1.1
111.00867	1.2
112.00410	1.6
113.02444	3.5
116.42193	0.7
119.03522	1.0
119.04961	1.0
120.04558	1.3
121.05347	2.5
122.03722	0.9
122.06125	39.9
123.04535	1.5
123.06452	1.6
124.00395	1.4
124.04021	1.9
125.02428	2.7
129.01964	0.9
131.03732	0.8
133.05064	3.4
134.04698	1.1
134.06145	4.7
135.03302	2.0
135.04512	8.6
136.04004	2.1
136.04861	5.7
136.07686	17.6
137.04903	1.0
138.05592	2.8
146.06111	1.3
148.07664	1.9
149.00938	0.9
149.04825	1.3
150.05611	100.0
151.00299	1.1
151.04033	1.8
151.05905	4.6
152.07162	8.3
153.05579	1.4
154.05936	1.5
158.06088	1.3
159.03130	1.3
161.04767	1.6
162.05588	3.0
164.07181	4.0
168.02946	1.5
168.06660	2.8
174.05565	1.9
175.06352	3.6
176.07158	7.9
186.04131	0.8
192.06703	1.2
194.08218	9.2
198.04118	0.9
204.06628	2.9
222.07689	2.7
240.21136	0.9
242.02917	1.0
252.08755	1.7
270.02539	1.9
271.07208	1.0
300.10760	1.3
312.10889	51.3
313.11182	3.5
329.94565	2.4
330.04871	9.1
330.07919	1.5
330.11935	27.7
331.06567	2.7
331.12207	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	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29288	0.4
58.00598	1.1
59.01385	4.0
67.67363	0.5
70.93230	0.9
70.93562	0.5
72.99313	1.1
77.43783	0.5
87.10159	0.5
97.06526	0.5
99.08163	6.7
110.91129	0.4
111.08189	0.5
113.09718	0.6
127.07718	0.7
127.11285	0.6
129.09244	4.8
139.11247	0.9
153.12880	0.6
155.10820	0.7
169.12355	6.6
170.12802	0.5
171.10234	1.5
181.12367	3.2
183.13885	1.3
193.12347	1.7
197.11876	1.8
199.13402	17.9
200.13722	1.0
209.52322	0.4
211.13391	8.6
212.13692	1.0
227.00827	0.6
227.12817	1.0
229.14522	1.2
243.06693	0.8
265.11658	0.6
271.06381	0.5
293.21237	1.8
299.05606	1.0
311.22290	1.1
329.10376	1.4
329.23343	100.0
330.23666	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62766	0.3
55.67698	0.3
58.00595	2.2
59.01384	3.7
69.03456	0.3
70.58838	0.7
72.99315	0.5
81.42944	0.3
97.06583	0.6
99.08156	9.5
100.08471	0.4
111.08183	0.4
113.09727	0.4
127.07640	1.8
129.09218	8.5
130.09569	0.4
135.04436	0.3
139.11310	0.5
153.12892	0.5
155.10777	0.4
155.14401	0.4
163.11276	0.4
165.12830	0.3
167.14378	0.4
169.12340	7.5
170.12773	0.3
171.10339	1.0
181.12328	4.7
182.12677	0.4
183.13930	1.8
193.12296	1.9
197.11884	3.2
199.13393	23.1
200.13756	1.3
211.13391	11.4
212.13777	0.6
227.12833	1.5
229.14464	1.3
275.20169	0.6
282.19470	0.3
293.21231	2.2
311.22318	2.5
329.23315	100.0
330.23657	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
58.00593	1.8
59.01384	2.5
59.86851	0.4
59.98072	0.4
68.09584	0.4
70.28999	0.4
73.49123	0.4
91.03091	0.4
99.08159	8.1
113.09745	0.6
127.07668	1.2
129.09233	7.9
153.12823	0.5
155.10828	0.4
155.14491	0.5
156.84068	0.4
157.08859	0.4
167.10788	0.6
169.12300	4.5
181.12352	4.6
183.13899	1.5
193.12350	1.5
194.67578	0.4
197.11789	2.2
199.13408	18.6
200.13696	1.1
211.13387	13.4
212.13712	0.5
222.02017	0.4
227.12807	0.8
229.14511	1.4
234.43185	0.4
275.20145	1.1
293.21231	3.5
311.22305	2.9
329.23328	100.0
330.19879	0.8
330.23663	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	329.2334
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03444	1.0
59.45927	0.5
69.43355	2.1
69.43796	2.5
71.05014	0.5
83.05028	1.0
97.06584	1.0
97.69955	0.6
99.08162	7.1
125.09722	1.5
127.11320	4.3
128.76108	0.6
139.11281	8.2
154.32666	0.6
155.10909	0.9
157.12318	1.0
165.12817	0.8
167.14444	0.8
171.08769	1.0
171.10268	18.2
172.10645	1.4
183.13890	6.5
193.12331	1.5
209.11835	1.2
211.13399	24.9
212.13733	1.6
229.14415	13.9
230.14833	1.8
293.21103	1.1
311.22272	1.3
329.23325	100.0
330.23666	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	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19585	0.7
56.19436	0.7
59.01380	100.0
60.01693	0.9
69.87286	0.7
69.99033	0.7
70.41169	0.8
71.01380	5.1
71.30892	1.3
72.99300	0.8
73.02933	2.0
83.01364	0.9
85.02945	2.1
86.69823	0.7
87.00886	1.5
89.02413	1.4
93.03482	0.8
94.03879	0.7
101.02436	3.2
101.83594	0.8
101.94995	0.8
102.18652	0.8
108.02207	1.5
113.02473	1.5
119.05029	2.5
120.05362	1.6
122.06151	2.1
123.04530	1.4
134.03835	0.9
134.06122	1.3
135.04559	5.2
138.09239	1.4
148.05418	0.8
149.00917	0.9
159.03012	1.0
161.04576	3.7
162.05608	3.0
167.03535	5.6
182.08211	2.6
193.03818	1.0
200.83820	0.8
235.74045	0.7
269.10165	2.6
285.09933	1.6
285.12488	2.7
311.10156	0.8
313.37787	0.8
329.08844	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	329.1396
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
50.84967	0.3
55.97795	0.4
58.43687	0.3
59.01389	1.8
61.98830	0.4
65.02702	0.4
67.93526	0.4
71.05052	0.4
71.11656	0.5
74.24545	0.3
82.40417	0.4
99.08181	0.8
104.45736	0.3
108.83824	0.3
115.84620	0.4
127.11289	1.0
127.85081	0.4
129.09196	0.5
131.57690	0.5
135.04523	1.4
139.11292	1.3
150.11717	0.4
155.10796	0.4
171.10278	5.3
172.05310	4.6
183.13921	0.7
185.02721	0.4
199.13336	0.7
200.04796	32.3
201.05142	2.7
201.11345	0.5
211.13377	2.3
213.05573	4.6
215.03539	0.5
225.14848	0.4
227.07233	0.7
229.14471	1.3
232.03784	13.5
233.03999	0.7
239.16441	0.5
267.13797	1.4
267.16507	0.4
283.13400	1.5
285.14890	1.9
293.20914	0.4
311.12906	72.0
312.13284	7.1
329.13959	100.0
329.23218	21.1
330.14279	11.8
330.23648	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	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.94157	0.6
59.01380	5.9
67.40010	0.7
71.61015	1.0
85.02956	0.7
91.56438	0.6
99.08150	4.9
113.09724	1.1
125.09738	1.8
127.07694	0.8
127.11287	3.0
129.09224	3.0
135.04526	1.5
139.11302	5.7
155.10788	1.3
169.12358	2.9
171.10263	14.7
181.12306	3.7
183.13841	1.6
193.12321	1.5
197.11845	1.2
199.13362	9.3
201.11272	8.4
211.13377	12.6
229.14403	2.9
290.18784	0.7
293.07733	0.6
293.21231	2.4
311.22284	2.8
314.07910	1.7
329.23318	100.0
330.23615	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00304	1.6
68.99799	0.8
77.87070	0.6
79.49696	0.7
95.01377	0.9
95.93546	0.7
98.20606	2.0
108.02171	3.7
111.00876	1.0
119.01498	0.8
123.00847	2.8
123.04459	0.8
124.01645	1.7
129.09225	0.9
132.02101	1.0
134.03682	1.2
136.01633	2.4
137.02415	1.4
139.00510	0.8
147.00868	5.8
148.01682	4.1
149.06078	1.4
149.99567	4.5
151.00409	3.5
151.03963	2.5
162.03236	6.0
163.03920	2.4
169.01332	1.0
171.10272	3.9
172.05313	0.8
175.00243	1.0
175.23759	0.7
176.01141	2.0
177.01926	14.6
177.05493	0.8
178.02254	0.8
184.05186	1.5
186.03191	1.0
195.04483	1.3
196.05261	1.1
199.04042	1.3
200.04768	4.7
201.05687	3.3
201.11311	1.2
210.03201	0.8
211.03954	4.0
212.04735	7.6
213.01869	2.2
213.05103	0.9
214.02710	1.1
215.07114	0.8
223.03819	0.9
224.04782	0.9
227.03430	4.4
227.07034	1.0
228.04256	12.8
229.04852	3.3
238.02765	1.5
239.03503	5.2
240.04277	12.4
241.04828	2.5
242.05800	0.9
243.06633	9.0
244.07086	1.3
253.05103	1.7
254.05661	1.5
255.02925	6.1
255.06584	7.2
256.03729	14.7
257.04041	1.0
257.08179	1.7
261.07709	0.8
266.02139	1.7
267.03021	1.1
268.03845	2.1
269.00851	1.9
269.04608	1.3
269.08112	1.6
270.05316	2.2
271.06113	39.9
272.06436	3.0
274.58835	0.9
281.04514	2.6
282.05237	0.8
283.02557	4.4
284.03201	10.3
285.04202	1.0
285.07651	5.9
286.08344	1.2
296.07043	0.9
297.04312	1.7
297.07785	1.8
298.04843	3.2
299.05594	38.9
300.05991	2.9
313.07144	8.3
314.07953	100.0
315.08301	10.6
329.10297	100.0
329.23224	15.3
330.10641	10.8
330.23517	1.3
346.06879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91609	0.5
55.01871	0.7
59.01383	2.4
60.33892	0.4
61.99709	0.4
69.35136	0.5
71.01381	7.7
71.17891	0.9
72.99312	0.8
73.02941	2.0
83.01370	1.1
85.02938	3.3
87.00887	1.3
89.02417	1.4
93.03458	0.8
99.00883	1.2
99.04549	0.5
101.02452	4.7
108.02177	1.4
109.02950	1.5
109.09746	0.5
113.02450	3.7
121.02934	3.0
122.03735	100.0
123.04575	15.2
124.04849	0.9
125.02456	0.9
135.03502	0.5
135.04520	9.2
137.02448	1.5
137.06079	1.7
143.03542	0.5
147.04515	0.9
148.05316	0.5
149.00894	0.6
149.06018	0.6
150.05527	2.3
150.90448	0.5
153.05553	1.8
159.02971	1.3
161.04559	8.3
162.03261	0.5
165.05566	6.8
166.25148	0.4
167.01990	0.7
167.03500	3.5
177.05562	3.3
197.04585	1.2
242.05003	0.5
285.09827	1.8
290.21152	0.5
312.11017	1.1
329.08606	3.9
330.12097	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
58.57076	1.0
59.01382	8.9
63.74541	1.1
64.40070	0.8
69.03435	1.8
69.40808	1.1
71.01375	4.2
71.61407	1.4
72.99316	2.8
75.00857	1.1
83.01376	1.6
85.02966	2.2
87.00885	4.7
88.04037	0.9
89.02462	1.1
90.83169	0.9
93.03443	2.2
95.01369	3.1
95.04971	1.3
97.02950	7.0
103.00381	1.2
104.31598	0.9
107.04952	1.5
108.02169	9.2
109.02986	6.6
111.00882	3.2
113.02433	2.9
119.03441	1.1
119.05018	2.2
120.05381	1.1
121.02952	3.4
122.03749	1.5
122.06091	1.9
123.00886	3.5
123.04529	34.1
124.01648	3.3
124.04923	1.3
125.02459	25.4
126.02789	1.1
135.04527	18.9
136.07672	1.7
137.02406	1.5
139.03983	1.7
149.00899	2.7
149.06070	1.0
151.00381	2.1
152.01155	21.3
153.05565	2.5
162.05632	1.3
163.03995	1.6
164.01105	2.9
165.01906	1.8
165.05502	1.5
166.02711	3.2
167.03496	100.0
168.03818	6.7
181.05049	2.8
189.04268	1.1
194.02145	1.6
197.04539	3.2
209.04530	4.7
237.40450	0.9
243.03334	1.8
253.17192	1.0
255.55350	0.8
285.12744	1.5
329.08926	5.7
329.12665	1.7
330.16376	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03446	0.8
59.01377	2.3
65.00321	0.5
67.93558	0.3
71.01396	0.4
71.61435	0.6
72.99290	0.3
75.00903	0.5
81.03455	4.9
83.01386	3.0
85.02934	0.3
87.00880	0.8
89.02429	0.4
92.05091	0.5
93.03452	0.4
95.05040	1.5
97.02933	0.4
99.04497	0.3
101.02494	0.4
107.01379	0.8
108.02150	0.4
109.04088	0.7
116.05058	0.5
119.05042	0.5
121.02885	0.5
122.03718	0.5
122.06120	3.0
123.04529	32.3
124.04848	0.9
125.02446	5.9
125.03440	0.6
127.05135	2.1
130.08757	0.4
131.03790	0.9
132.04544	1.0
135.04521	3.0
139.04037	0.5
144.04562	1.2
147.04686	0.4
149.00940	0.5
149.02441	1.2
151.00414	1.8
152.01137	0.5
153.05624	0.5
153.06689	2.3
158.06160	0.5
160.04047	0.4
162.05569	1.5
163.03973	0.7
166.02827	0.5
167.03502	100.0
168.03839	5.0
182.08246	0.4
188.03581	0.4
189.04324	0.8
191.03467	0.6
197.05727	2.3
209.04529	0.7
211.07309	0.3
254.13208	0.3
267.11435	1.0
285.12683	2.3
286.12051	0.6
311.10168	0.4
312.10019	0.4
329.08813	2.2
329.15982	0.5
330.11029	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	329.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	4.3
59.01380	100.0
63.39944	1.2
69.34431	3.5
69.34846	7.5
72.99310	7.2
87.00875	53.4
98.20585	2.1
102.99698	2.7
103.00377	50.1
104.73941	1.1
107.07527	1.4
112.98801	4.4
130.99870	20.2
135.04517	4.1
149.00926	13.3
153.09210	62.0
154.09529	3.6
164.06157	1.3
167.03596	1.5
197.06509	2.2
197.08197	32.9
198.08549	2.0
254.57547	1.2
329.08594	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	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21364	0.9
57.05624	0.8
58.00583	1.4
59.01378	32.3
69.03457	1.2
69.46941	8.0
72.99303	2.9
84.47544	0.9
85.03068	0.8
87.00876	41.9
93.03445	1.3
94.12070	0.9
94.91936	1.0
103.00381	12.8
111.04520	2.2
112.98814	2.5
121.02942	1.4
130.99858	6.4
135.04521	4.8
142.77676	1.0
147.04453	1.1
149.00940	6.4
150.03212	1.7
153.09210	100.0
154.09502	5.9
159.04558	2.3
160.05290	7.4
161.06100	2.1
163.04024	1.3
167.03508	1.6
175.07631	3.3
177.05566	2.2
178.06326	1.4
187.04204	1.1
187.06332	1.0
197.08183	95.4
198.08527	6.7
204.06744	1.4
209.92824	1.5
244.28838	1.0
267.07358	1.1
285.11942	1.4
329.08615	7.1
329.14462	7.7
330.14575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	41.9
61.98823	3.6
67.72941	0.6
70.20052	0.8
70.20433	2.3
72.99317	0.6
87.00874	0.9
89.95390	0.6
97.07819	0.5
102.78317	0.5
115.02527	2.0
117.00447	6.8
117.23139	0.5
118.00494	0.6
125.00941	0.5
126.98869	1.6
143.02002	2.2
144.99951	0.8
157.03636	0.7
159.01492	64.2
160.01608	6.0
168.99931	5.8
170.00140	0.6
170.97873	8.2
187.00983	100.0
188.00851	9.6
190.97102	0.7
201.02550	13.7
202.02727	1.0
232.98293	1.0
241.00621	0.8
259.01428	0.8
274.99265	3.9
275.99542	0.7
311.01218	1.2
328.96857	1.6
329.02298	3.1
330.02261	0.8
346.99069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.6
59.01383	5.5
61.98826	0.6
68.99779	0.6
69.68597	2.3
71.01381	4.1
72.99319	1.8
73.02943	1.3
76.35420	0.4
81.69353	0.3
82.02995	0.5
83.01402	0.6
85.02958	1.6
86.00101	0.4
87.00375	0.7
87.00880	9.0
88.04043	1.4
89.02455	1.6
93.03457	0.9
94.10177	0.4
95.01380	0.5
98.20638	0.4
99.04554	0.5
101.02457	2.1
103.00395	0.7
105.30872	0.4
107.05015	1.2
108.02168	1.6
109.02947	1.3
110.02534	0.5
110.06059	0.4
112.98831	0.7
113.02458	1.8
119.03542	0.5
119.05040	0.6
121.02950	1.5
121.05349	0.8
122.03742	21.5
122.06114	7.2
123.04552	8.2
124.04031	0.7
125.02462	0.9
129.22874	0.4
130.08733	0.5
130.99829	0.6
134.03731	1.4
134.04721	0.9
134.06120	1.0
135.04524	100.0
136.04869	4.6
136.07677	3.2
137.02431	0.5
137.06068	0.5
138.05634	0.6
145.09827	0.6
149.00931	6.1
149.02313	0.7
149.04910	0.5
149.06099	0.6
150.05609	19.1
152.01115	1.2
152.07169	1.3
153.05574	31.3
154.05937	1.2
159.04539	0.4
161.04584	2.7
162.05565	0.7
164.07127	0.6
165.05571	1.5
167.03477	4.4
174.05695	0.5
175.06433	0.5
176.07178	1.5
177.05556	1.2
179.03549	0.9
179.41156	0.3
181.05034	0.4
187.00963	1.1
192.06621	0.5
194.08249	1.0
197.04550	11.9
198.05038	0.5
204.06599	0.8
209.04683	0.5
222.07693	0.6
252.08774	0.5
289.33560	0.4
312.10904	10.4
329.04999	1.7
329.08929	1.5
329.18243	0.9
329.21927	1.2
330.04877	1.3
330.08472	0.7
330.11942	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.067
Annotation	Jaceosidin
Peak:m/z	Relative Intensity
56.94392	0.7
59.01379	3.6
71.61178	0.7
71.61611	0.7
73.69406	0.7
76.55192	0.5
83.01380	0.6
87.00865	1.8
95.38154	0.6
95.40253	0.7
108.02129	0.7
135.00897	0.8
135.04507	4.1
143.04947	0.7
149.00967	0.7
151.00311	1.3
153.09215	1.2
161.02455	0.7
171.04521	2.0
175.03932	0.6
183.04504	1.2
183.13884	0.7
187.03978	1.2
197.02426	1.6
197.08234	0.9
198.03072	0.8
199.04007	7.2
201.01920	2.3
203.03569	0.8
215.03502	6.8
225.01855	0.9
226.02686	2.2
227.03506	7.1
227.12949	0.9
228.04053	0.8
229.01399	1.5
242.02231	15.5
243.02974	55.8
244.03331	4.1
257.04550	16.1
258.04868	1.6
267.66815	0.7
270.01688	18.0
271.02481	65.3
272.02774	6.5
285.04050	29.2
286.04727	9.4
299.01971	25.3
299.05133	0.5
300.02383	1.9
314.04327	68.0
315.04697	6.7
329.06656	100.0
329.23364	2.8
330.06989	10.5
335.70715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71666	0.5
59.01385	3.1
69.27012	6.2
69.27423	0.8
72.00883	0.6
72.04555	2.7
74.02474	100.0
75.02826	0.7
83.01375	0.7
97.06590	1.2
103.76207	0.6
111.08168	0.8
118.05121	3.2
135.04555	1.9
137.02492	0.9
141.81476	0.6
149.00880	0.7
159.40979	0.6
160.93307	0.7
163.11218	0.7
165.12848	6.8
171.10335	1.2
183.13908	9.0
199.96979	0.7
207.13966	1.1
209.11868	1.5
211.13371	1.4
212.13745	1.6
222.15025	21.8
222.18539	11.0
223.15559	1.2
223.18976	0.8
227.12868	9.2
230.14854	1.0
240.13867	0.9
240.16029	5.2
241.16264	0.7
251.12909	2.7
266.13986	16.3
266.17596	7.9
267.14349	1.1
267.18109	1.1
284.15027	26.7
285.15387	2.5
310.16455	0.7
328.09143	2.1
328.17645	44.8
328.22055	12.1
329.06741	1.1
329.17944	4.2
329.22791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71666	0.5
59.01385	3.1
69.27012	6.2
69.27423	0.8
72.00883	0.6
72.04555	2.7
74.02474	100.0
75.02826	0.7
83.01375	0.7
97.06590	1.2
103.76207	0.6
111.08168	0.8
118.05121	3.2
135.04555	1.9
137.02492	0.9
141.81476	0.6
149.00880	0.7
159.40979	0.6
160.93307	0.7
163.11218	0.7
165.12848	6.8
171.10335	1.2
183.13908	9.0
199.96979	0.7
207.13966	1.1
209.11868	1.5
211.13371	1.4
212.13745	1.6
222.15025	21.8
222.18539	11.0
223.15559	1.2
223.18976	0.8
227.12868	9.2
230.14854	1.0
240.13867	0.9
240.16029	5.2
241.16264	0.7
251.12909	2.7
266.13986	16.3
266.17596	7.9
267.14349	1.1
267.18109	1.1
284.15027	26.7
285.15387	2.5
310.16455	0.7
328.09143	2.1
328.17645	44.8
328.22055	12.1
329.06741	1.1
329.17944	4.2
329.22791	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2541
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
59.01382	10.5
69.26151	6.6
69.81670	40.3
81.03448	12.8
83.05024	32.6
111.68834	7.4
119.31866	6.0
140.50768	6.8
184.01463	9.0
185.00766	14.9
235.20682	30.5
253.21718	100.0
254.22176	10.6
327.18326	46.7
327.21829	16.8
327.28888	24.5
328.18140	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2904
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01384	100.0
60.01717	1.5
71.17413	2.0
75.74799	1.2
88.25879	1.4
89.79980	1.1
91.30528	1.4
95.08769	1.1
128.94524	1.2
185.00630	1.2
193.03465	1.2
224.97687	1.2
235.06628	1.3
267.50128	1.2
298.72000	1.4
327.18152	5.3
327.29050	74.0
328.29358	9.8
347.51196	1.4
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	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03442	1.8
58.04900	0.6
59.01388	0.5
69.03465	1.7
70.76068	1.3
71.01353	0.6
73.80058	0.5
75.19771	0.6
78.26106	0.6
82.35786	0.5
83.05017	0.9
85.02963	6.1
95.05025	0.8
97.02953	0.6
97.06604	4.2
103.24983	0.6
108.63619	0.5
110.03787	0.7
125.09760	0.9
127.11281	1.6
137.09706	1.8
148.57863	0.5
149.09679	0.6
155.09016	0.6
155.10776	1.0
167.14352	1.4
171.10274	16.9
172.10641	1.1
177.12828	0.9
183.13876	4.6
185.11836	1.0
193.12349	1.1
201.11444	0.6
209.11882	1.6
211.13405	21.0
212.13713	1.3
221.11774	2.5
229.14442	14.4
230.14836	1.7
239.12964	1.4
262.94598	0.6
291.19638	4.2
292.19974	0.5
309.20779	1.1
327.21771	100.0
328.22147	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01379	0.9
65.85736	0.6
69.03461	1.4
69.72710	3.8
71.01395	1.3
72.39780	0.5
85.02951	6.4
95.05053	1.1
97.06587	5.0
103.17339	0.6
111.03642	0.6
119.08701	0.7
123.08137	0.7
125.09764	1.2
127.11284	2.3
137.09711	1.5
155.10771	1.2
155.14381	1.0
159.11531	0.6
163.11205	0.7
165.12891	1.3
167.14401	1.3
171.10280	15.7
172.10677	1.0
177.12825	1.6
183.13885	4.6
185.11847	1.7
193.12329	1.6
209.11801	1.9
211.13399	25.1
212.13716	2.0
220.10234	0.6
221.11794	3.3
229.14438	16.1
230.14906	0.9
239.12839	1.8
291.19632	4.3
309.20782	1.7
327.21771	100.0
328.22171	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03435	1.5
58.00595	0.4
59.01369	1.3
59.88696	0.3
60.23535	0.3
60.71298	0.3
69.03438	1.0
69.35798	2.4
69.36215	0.8
71.01394	1.7
71.05014	0.9
73.02921	0.5
81.03442	0.4
83.05032	1.4
84.02148	0.5
85.02955	4.3
95.05014	0.9
97.02955	0.4
97.06587	5.5
98.20561	0.7
109.02956	0.8
109.06586	0.5
110.03747	0.6
111.08148	0.8
119.05022	0.4
119.08716	0.5
123.08138	0.6
125.09702	1.5
127.11285	2.0
135.04523	0.5
135.52644	0.4
137.02431	0.9
137.09683	1.1
155.10773	1.2
155.14435	0.5
163.03973	0.4
163.11218	0.4
165.12849	1.2
167.14360	1.0
171.10272	12.7
172.05281	0.4
172.10667	0.5
175.11311	0.5
177.12849	0.9
181.12320	0.5
183.13934	4.5
185.11780	1.9
193.12352	1.3
197.11784	1.0
203.10753	0.9
209.11819	2.1
211.13397	21.8
212.13731	1.5
221.11862	3.5
229.14427	14.4
230.14742	1.1
237.18504	0.5
239.12953	1.9
241.05086	0.8
247.20592	0.6
265.17999	0.6
273.18585	0.9
283.09845	0.5
283.19138	0.9
291.19641	4.7
292.20084	0.4
309.14844	1.5
309.20630	2.3
312.06482	0.7
327.08823	1.3
327.16299	3.1
327.21753	100.0
328.16034	0.8
328.22083	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03449	1.2
58.00597	2.2
59.01383	3.5
69.03475	0.5
71.39439	0.7
73.02944	0.4
82.66785	0.4
85.02948	0.5
87.04527	1.3
90.26077	0.3
97.06597	1.4
109.06557	0.5
111.07452	0.7
111.08166	8.5
119.52385	0.3
127.07670	1.2
137.09735	1.2
141.09164	0.4
151.11304	0.4
153.12822	1.1
167.10878	0.3
169.12355	5.3
170.12688	0.6
171.10269	3.0
174.27361	0.4
179.10793	0.4
179.14355	0.6
181.12386	1.7
183.13931	0.8
193.12346	0.7
195.13980	0.6
197.11839	46.8
198.12167	3.5
199.13405	7.0
200.13731	0.4
201.11389	0.9
211.13396	5.5
212.13776	0.6
221.11693	0.5
221.15485	0.8
227.12863	0.9
229.14488	0.9
239.12872	0.6
239.16545	7.7
240.16873	0.4
263.20081	0.6
291.19708	3.5
309.20657	3.3
310.21161	0.5
327.21774	100.0
328.22119	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
66.58732	0.9
69.03465	0.9
69.50918	0.9
70.18743	3.8
73.02939	1.2
75.51613	0.9
77.06195	0.9
83.05035	2.4
84.02124	1.0
85.02950	0.8
89.00687	0.9
95.05012	1.0
95.37071	0.9
97.06583	1.1
99.08141	2.5
111.08146	1.8
115.07600	0.9
119.93245	1.1
125.09721	1.6
127.07641	3.8
129.09218	25.9
130.09575	1.3
137.55130	0.9
141.08444	0.8
141.09250	8.0
141.12881	1.1
144.14877	1.0
155.86885	0.9
163.11256	3.1
165.12758	1.8
171.10266	3.3
181.12283	1.1
185.11821	37.3
186.12180	2.5
197.09953	1.6
197.11824	35.5
198.12105	2.3
209.11832	41.5
210.12180	2.7
211.13438	2.1
211.23312	0.9
227.12833	2.5
234.43504	0.9
291.19669	8.2
309.20709	12.3
310.21097	1.2
327.21750	100.0
328.22101	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	20.0
59.01374	25.2
79.09437	14.7
83.01379	22.6
83.05041	38.4
97.06616	21.8
125.09731	43.9
139.11240	30.0
163.11388	19.0
165.12830	55.5
167.10754	70.3
181.12294	18.8
209.11853	100.0
236.21854	15.1
247.20595	23.7
291.19595	68.0
327.21637	38.8
348.51315	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	327.0873
Annotation	Garvin C
Peak:m/z	Relative Intensity
55.45960	1.1
59.01371	8.7
63.25871	1.0
69.33094	0.9
69.34677	9.7
70.89870	1.0
71.01378	4.7
72.99295	2.7
87.00867	4.8
93.03458	12.7
98.19824	2.3
100.70811	1.0
103.00359	1.3
106.04273	2.0
107.05077	1.1
107.65829	1.0
108.02183	3.3
109.02963	7.0
117.03529	1.6
118.98076	1.2
119.05029	100.0
120.05354	4.8
121.02918	2.2
121.58018	1.1
123.04523	1.7
131.05077	1.6
132.05789	4.2
133.02942	3.7
133.06584	2.2
134.03734	4.8
134.04688	2.3
135.04556	6.4
137.02443	25.7
143.04990	3.4
145.02931	3.1
145.06612	6.4
146.03711	10.3
147.04541	11.3
149.00905	2.6
151.03999	3.5
159.04478	3.6
161.02457	2.2
161.06024	1.6
163.04010	58.0
164.04349	3.7
177.05571	5.6
196.03732	1.7
197.06146	1.5
210.06885	3.5
211.07639	57.6
212.07919	6.4
221.09709	1.4
226.05814	1.2
237.09227	12.5
239.10831	10.5
241.08038	2.7
253.08829	1.1
265.08560	2.4
267.06638	3.4
268.07367	3.4
283.09750	77.7
284.03281	1.5
284.10187	6.3
297.07632	1.5
327.08719	92.0
328.08499	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03445	27.7
59.01374	45.3
61.98823	17.3
63.98811	11.9
70.81905	35.0
71.01353	12.6
76.58413	12.1
77.68074	11.6
83.05027	27.0
86.34852	12.1
95.06541	14.6
97.06581	16.3
111.04520	12.7
113.09737	14.7
129.05569	26.6
131.74654	11.9
137.09682	15.9
151.11293	17.2
164.87645	12.2
165.12849	17.5
171.10204	21.7
176.93959	11.7
181.12321	19.8
197.11737	20.1
209.11772	12.9
211.13443	15.9
215.16496	12.8
327.21707	100.0
327.25452	38.7
328.22150	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44426	0.6
52.28664	0.6
58.00596	2.1
59.01377	3.7
63.03312	0.8
66.24955	0.7
69.03449	1.4
69.25545	0.7
70.99723	0.7
71.00059	1.4
76.42195	0.8
97.06592	1.7
107.35718	0.7
108.34921	0.7
110.21932	0.9
111.08158	11.6
127.07650	1.5
137.09705	3.0
153.09261	0.7
153.12895	1.3
169.12379	7.4
171.10278	16.1
181.12338	2.3
183.13777	1.1
193.12053	0.9
197.11821	53.9
198.12155	2.6
199.13344	9.0
201.11345	3.7
211.13492	4.9
227.12907	0.9
237.01662	0.8
251.16615	0.9
263.20206	0.9
291.19620	3.1
300.18018	0.7
309.20609	5.1
319.31741	0.7
327.21756	100.0
328.22137	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	327.0872
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.44881	0.8
60.33426	0.9
60.76758	0.8
70.92143	1.6
70.92478	1.0
71.01357	0.9
93.03458	27.0
96.99298	4.4
106.04239	1.7
108.59501	0.9
109.02953	0.9
117.03458	2.2
119.05021	83.6
120.05355	3.5
121.02949	1.5
123.04500	1.7
130.04221	1.1
131.05069	5.6
132.05804	1.7
133.02919	4.3
135.04454	0.9
137.02423	0.8
143.05022	15.8
145.02965	2.0
145.06580	2.5
148.20250	0.9
163.04001	67.8
164.04308	3.8
171.04507	3.1
209.06175	1.1
211.07671	5.2
212.08037	1.2
221.09721	2.1
235.07565	4.2
237.09131	8.4
239.10808	4.8
265.08679	18.1
283.09756	22.5
284.10037	2.4
309.07666	4.2
327.08713	100.0
328.09052	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	327.0872
Annotation	1,3,6,7-Tetrahydroxy-8-(3-methylbut-2-enyl)xanthone
Peak:m/z	Relative Intensity
53.21221	1.0
69.59547	4.3
69.59956	2.1
71.01387	1.0
81.31647	1.1
93.03453	51.5
94.03808	2.4
96.10543	1.0
96.99312	7.9
117.03461	5.6
118.76386	1.1
119.05027	43.5
120.05353	2.3
120.16133	1.2
121.02972	1.4
123.04542	6.2
130.04259	5.1
131.05016	13.1
133.02946	11.9
134.99234	1.0
137.02396	2.1
143.05028	47.7
144.05389	2.3
145.02980	4.7
145.06555	2.1
147.04515	1.5
159.04510	1.6
163.04013	19.4
164.04439	1.5
171.04520	6.3
203.03415	1.3
209.06055	1.4
211.07616	9.9
219.08121	3.1
221.09726	2.6
222.06868	1.8
223.07594	3.2
235.07623	13.7
237.09190	15.6
238.09505	2.4
239.10689	1.2
248.11140	0.9
250.06380	1.0
263.07123	2.1
264.07770	1.5
264.51038	0.9
265.08679	62.2
266.09003	7.8
281.08231	1.9
283.09872	1.6
309.07675	27.0
310.07953	2.8
327.08719	100.0
328.09073	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	325.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75072	1.1
57.03444	4.8
59.01379	7.8
61.28452	1.2
69.03455	1.9
70.75317	2.3
70.75661	1.3
71.01373	2.1
71.05019	2.0
81.03454	1.4
83.05038	2.2
87.00850	2.5
87.86488	1.2
91.17378	1.3
97.06599	1.7
103.00346	1.7
109.06599	2.4
111.08160	3.3
112.98824	1.9
113.09739	12.6
115.07647	4.9
125.09714	2.0
125.25471	1.6
134.03749	9.0
137.09692	11.3
139.11275	1.8
151.11314	4.2
163.11255	1.7
167.10724	1.6
175.11317	1.8
177.12860	2.1
178.02638	1.7
179.10745	1.6
181.12343	1.4
183.01241	2.2
193.05118	13.3
193.12363	3.9
194.05382	1.2
195.13997	3.2
199.13390	3.4
225.11299	2.1
225.14943	8.7
227.12956	2.6
231.21162	1.3
249.18536	1.9
249.22256	3.1
275.17184	1.4
275.20175	4.3
276.20917	1.2
293.17902	3.9
293.21210	45.3
294.21439	3.8
307.19437	2.5
307.22824	10.6
325.20520	6.0
325.23883	100.0
326.24161	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
55.51972	0.8
57.03458	0.9
57.07341	0.7
59.01376	3.4
69.03462	1.5
71.10999	1.2
71.11324	1.4
74.52708	0.9
75.11521	0.8
83.05005	1.6
87.00874	1.2
99.08156	7.2
101.48447	0.8
113.09711	2.2
114.09971	0.7
119.05049	1.0
121.10220	1.4
125.09750	3.2
127.11251	1.7
134.03767	5.4
137.09717	1.0
137.19226	0.8
139.11296	11.6
151.11296	1.2
163.11301	1.4
165.12831	3.1
167.10744	1.5
171.10291	6.0
177.12820	2.7
181.12331	1.2
183.01247	4.8
191.14441	1.5
193.05008	7.5
193.12318	15.9
194.05388	0.8
195.13847	1.2
197.02817	3.0
197.11774	2.1
225.14966	3.5
249.22238	1.5
256.92172	0.9
275.20117	5.2
289.18088	0.9
293.17880	1.6
293.21228	33.1
294.21542	1.9
307.22772	7.2
310.21576	0.9
325.18356	14.8
325.23843	100.0
326.18689	1.3
326.20392	1.1
326.24170	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	327.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.4
59.01389	8.6
63.88627	0.9
70.62037	1.9
70.62374	1.2
71.01398	2.0
72.99310	4.4
75.00882	1.5
77.03939	1.4
87.00880	14.3
88.01204	1.3
89.01276	1.1
89.03999	1.1
93.03462	12.7
95.05040	2.4
101.02451	1.2
103.00368	3.4
105.01969	1.6
105.03457	6.4
107.05048	4.9
109.02982	2.1
112.98797	3.1
114.99203	1.5
117.03470	2.7
117.39953	0.9
118.03751	1.3
119.05032	49.2
120.05354	5.5
121.02959	4.1
121.05612	2.6
122.03767	1.1
123.04544	13.5
125.02425	2.3
130.99854	1.4
131.04999	1.7
132.05823	1.9
133.02960	73.8
134.03795	14.7
135.04005	6.8
136.04228	5.0
137.02451	2.8
137.22699	0.9
143.05060	6.3
145.06569	4.0
147.03148	1.0
147.04465	1.3
149.00920	25.4
149.02240	1.5
149.06158	1.2
150.03203	1.1
151.03999	16.6
159.04512	1.1
163.04012	21.5
164.04347	4.4
165.01897	3.2
165.04123	10.5
165.05566	3.3
166.39803	0.9
177.01917	11.2
177.09341	1.1
178.02655	1.4
179.03419	2.4
180.65503	0.9
182.07356	1.1
193.05034	15.0
194.05423	6.3
195.02979	41.3
195.05591	12.4
196.03374	2.8
209.06082	2.0
211.07652	2.0
222.06911	1.6
223.07559	2.7
228.00476	0.9
235.07613	3.4
237.09230	19.9
238.09741	1.2
239.10791	5.5
265.08624	3.6
283.09769	34.1
284.10056	2.7
317.40988	0.9
319.95889	1.0
327.08743	100.0
328.09125	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0874
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
69.57854	4.5
93.03463	32.8
96.99316	8.3
98.19799	0.8
117.03467	3.7
119.05030	28.0
120.05354	1.3
121.02943	1.0
123.04547	3.4
130.04240	2.7
130.82478	0.6
131.05026	6.7
133.02972	6.4
137.02428	1.1
140.77852	0.7
143.05028	24.3
144.05348	1.0
145.02948	5.1
145.06526	1.4
159.04546	1.2
163.04025	12.3
164.04359	1.1
171.04501	2.7
176.22758	0.6
210.75610	0.7
211.07666	7.6
219.08098	1.0
221.09673	1.7
222.06732	1.4
223.07581	1.9
231.74641	0.7
235.07568	6.2
237.09193	10.1
239.10847	1.5
247.07547	0.8
263.07059	1.2
265.08701	22.2
266.08969	2.4
273.32849	0.7
278.63641	0.8
281.08191	0.8
283.09778	5.0
309.07663	6.1
310.08060	0.9
327.08746	100.0
328.09070	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54212	17.2
53.94154	19.9
57.03444	48.6
57.85757	18.5
59.01379	31.6
69.03462	37.0
70.38124	36.9
70.38517	41.1
81.03479	25.3
83.01401	53.5
83.05055	27.7
86.30333	18.7
94.76115	19.4
97.02938	23.6
97.06590	53.7
104.37759	22.3
116.02991	21.0
118.58393	19.5
123.04544	28.1
123.08157	40.5
125.09701	100.0
135.08159	20.9
137.09697	44.4
142.02754	19.5
163.11340	20.4
167.10733	46.6
170.18683	17.9
181.12312	22.8
185.11845	34.1
191.14282	26.1
207.10190	37.9
209.11800	65.8
232.15906	22.2
289.18036	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	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
51.77863	0.4
56.68658	0.4
57.92425	0.4
59.01392	0.5
64.18854	0.3
71.62433	0.5
78.16219	0.4
79.95736	0.6
94.82288	0.4
109.72156	0.4
110.69994	0.4
134.03716	1.3
147.08179	0.6
149.09718	91.5
150.10059	5.8
152.08757	0.4
154.44904	0.4
163.11284	100.0
164.11627	6.6
183.01195	16.6
184.01877	1.6
193.05078	1.2
197.02695	0.8
205.79745	0.4
216.00917	0.9
232.53348	0.4
325.18301	29.4
325.21698	91.1
325.27014	2.6
326.18610	3.6
326.22034	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	325.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
59.01368	3.7
60.51295	0.8
60.64073	0.9
69.03462	1.4
71.01385	1.0
73.02986	0.9
83.04996	1.5
99.08144	4.6
113.02413	1.0
113.09750	2.3
123.08162	1.5
125.09711	3.1
125.40372	0.9
127.11305	1.3
134.03728	4.6
136.14795	0.9
139.11296	1.6
149.09772	1.3
151.11259	3.6
163.11298	1.9
165.12869	3.5
167.10721	1.7
171.10271	4.6
175.11304	1.1
177.12885	1.1
178.02808	1.1
181.12303	1.4
183.01224	3.8
183.10301	1.1
191.14436	1.3
193.05090	5.9
193.12340	14.3
194.05327	1.0
197.02750	2.3
197.11804	4.0
225.14972	3.0
231.67195	0.8
242.74925	1.1
249.22247	0.9
275.20169	3.9
293.21237	30.3
294.21545	2.7
307.22833	4.9
308.22952	1.2
310.21442	2.5
325.18439	8.2
325.23831	100.0
326.18625	1.9
326.24136	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
57.92167	0.7
58.00596	4.8
59.01369	1.1
59.18102	0.8
61.68670	0.7
69.03441	1.0
70.37701	2.8
73.01098	0.7
84.02139	0.8
97.06608	2.7
109.06651	0.8
113.06077	1.8
115.07648	1.2
125.09703	0.7
127.07648	2.8
134.03740	1.4
151.11327	6.1
153.09181	1.6
153.12860	3.9
165.12865	2.3
169.12337	1.5
171.13828	1.3
181.12376	2.7
183.13937	1.8
193.05119	2.2
197.11813	10.9
199.13396	29.8
200.13680	2.5
209.11797	5.7
215.12915	5.6
223.13391	1.8
227.12878	100.0
228.13220	6.3
229.14427	15.2
245.19102	1.4
251.81390	0.7
263.20001	1.2
289.18124	3.0
297.20572	1.5
307.19159	12.4
308.19574	1.2
325.20248	5.3
349.52368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	6.3
59.01392	2.4
60.19818	1.2
60.80544	1.2
69.29128	13.1
72.56026	1.4
74.08662	1.3
76.20211	1.4
84.02183	2.1
88.61475	1.2
92.15710	1.1
95.05039	2.1
97.06605	3.4
113.06088	4.7
115.07662	7.9
127.07657	8.8
134.03760	3.5
151.11287	14.9
151.93533	1.2
153.12866	14.6
155.14424	4.6
165.12794	2.9
169.12340	2.3
171.10286	1.7
181.12305	2.6
183.13884	3.6
191.14383	1.7
193.05103	3.7
197.11824	22.1
199.13396	29.0
200.13786	3.0
201.11330	1.3
208.31004	1.6
209.11763	7.0
211.13426	3.9
215.12914	16.5
227.12888	100.0
228.13235	8.3
229.14433	47.0
230.14873	2.6
235.13188	1.7
245.19090	3.3
263.20114	2.7
267.19589	1.4
269.21188	1.8
289.18140	5.1
297.20746	5.1
307.19177	15.8
308.19263	1.6
325.20148	8.6
326.20514	1.6
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
57.03452	25.8
59.01373	45.1
63.28158	13.1
65.26266	13.6
70.30304	46.8
81.03476	16.6
83.01396	30.9
97.06581	25.2
123.04475	13.4
124.31539	15.5
125.09734	35.8
134.03700	29.0
137.09679	22.5
167.10829	26.1
185.11925	27.0
193.05055	59.4
209.11861	42.0
215.08275	12.6
225.11331	19.3
237.14955	100.0
245.19160	13.7
259.57181	12.7
289.18134	74.9
325.18781	21.8
338.01404	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.5
71.01378	4.8
80.02694	2.7
81.03420	2.0
83.05036	7.4
84.02171	4.3
85.02962	1.4
95.05016	3.4
99.08139	2.1
109.06606	2.3
111.08184	1.5
113.06097	1.5
115.07670	2.2
121.40801	1.4
125.09699	2.1
127.07671	11.1
134.03685	1.5
139.07613	3.8
155.10750	3.1
163.11299	4.9
165.12817	2.2
178.09975	2.9
185.11842	15.3
189.92229	1.3
191.10786	2.3
195.10205	1.4
197.11838	18.0
209.11824	100.0
210.12093	6.2
211.13339	2.2
227.12872	4.4
238.12102	4.4
256.13098	2.8
289.18124	4.6
307.19138	72.7
308.19580	6.8
325.20193	32.7
326.20456	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36758	1.2
57.03439	3.7
57.59597	1.4
59.01374	2.4
69.73563	6.6
71.01368	5.6
71.05013	3.5
76.11940	1.4
81.03468	2.4
81.37875	1.5
83.05020	6.3
84.02158	1.6
95.05025	3.6
97.06594	6.9
99.04498	2.2
99.08160	4.4
109.06580	3.8
111.08152	2.7
112.05318	2.8
115.07635	4.2
121.06584	1.6
123.08119	1.7
125.06107	1.6
125.09702	7.7
127.07655	20.0
130.11327	1.4
134.03761	2.0
135.08127	3.1
139.07608	4.6
153.09210	18.6
154.09607	1.4
155.10757	3.4
163.11281	4.0
165.12807	4.1
171.10286	18.8
178.09988	4.1
179.90450	1.4
185.11792	16.9
191.10901	1.8
195.13988	1.6
197.11832	18.4
199.13206	1.5
201.11290	2.5
209.11827	80.8
210.12151	7.7
211.13332	3.0
217.89822	1.5
237.14932	16.2
238.12094	8.1
245.19034	4.6
251.16463	2.0
256.13306	2.7
289.18091	20.2
290.18384	2.6
297.20709	1.8
307.19159	100.0
308.19540	10.9
325.20181	53.2
326.20499	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70667	1.4
57.03446	12.8
59.01372	5.6
69.03452	3.7
69.31558	15.5
71.01384	4.9
71.05012	6.7
73.02930	2.3
80.02651	2.0
80.66155	1.3
81.03483	2.7
83.05022	4.8
85.06615	1.8
91.05555	2.3
95.05046	4.6
96.50964	1.7
97.02945	5.6
97.06590	5.5
98.19913	2.9
99.87214	1.5
107.05038	3.0
109.06590	34.4
109.07331	2.2
109.23579	1.4
111.04565	2.4
111.08106	1.8
115.07604	1.6
125.06133	2.2
127.07677	2.9
136.67975	1.7
153.12895	2.7
160.15968	1.5
167.14346	1.8
169.12361	8.2
177.67619	1.5
181.12325	5.1
183.13956	3.9
193.12387	3.6
195.13829	2.8
197.09943	2.2
197.11826	46.2
198.12164	4.8
199.13371	4.7
201.11266	4.0
211.13394	38.6
212.13741	2.8
219.13902	2.0
227.12863	3.3
235.13385	7.1
237.14955	36.1
238.15234	2.8
245.19032	1.8
249.15013	3.3
275.59247	1.7
289.18073	25.9
289.21048	2.7
290.18488	3.1
307.19073	8.7
325.20197	100.0
326.20621	9.0
339.39877	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	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.4
59.01381	12.4
66.93063	0.3
69.34219	4.0
71.01376	2.0
72.99306	1.2
78.83241	0.4
87.00874	4.9
89.02464	2.1
92.55414	0.5
95.01421	0.7
101.02444	0.9
103.00359	3.5
112.98879	0.6
113.02481	0.9
113.85850	0.4
117.03467	21.3
118.03770	0.9
119.03495	0.5
119.05011	4.4
119.05785	0.5
123.88544	0.4
130.99777	0.6
133.06656	0.6
134.03743	14.7
135.03993	0.5
137.02501	0.6
145.02951	100.0
146.03314	4.4
149.00906	5.3
149.06067	2.0
159.04541	0.7
161.06059	1.0
163.04018	8.2
178.02754	3.1
179.05629	0.7
187.04010	3.4
193.05060	19.4
194.05405	1.1
201.36501	0.4
205.05109	1.8
265.07239	1.5
275.82632	0.5
325.09311	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	325.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51180	0.8
58.03223	0.9
59.01381	11.7
71.01384	2.7
72.99327	1.2
73.02957	1.4
75.00872	6.4
81.03480	1.8
87.00877	6.2
93.03459	3.2
99.04544	1.6
103.00414	4.6
119.05033	57.5
120.05379	2.3
130.99854	1.4
134.03737	13.7
135.04539	2.3
143.03462	1.9
145.02975	3.2
145.07108	0.9
149.00926	1.2
149.06085	1.5
159.04482	1.4
161.04565	5.6
163.04018	100.0
164.04323	6.1
178.02750	3.0
179.03424	1.0
179.03979	1.2
179.05626	19.5
180.05858	1.3
191.07187	1.1
193.05074	21.1
194.05484	1.3
253.08635	1.9
285.04163	1.4
325.09601	2.0
325.13004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
54.85288	0.7
59.01388	6.5
67.65083	0.6
69.38840	2.9
69.39261	2.0
71.01373	2.7
71.05019	2.7
72.99310	6.8
73.02945	2.4
75.00873	33.5
76.01229	0.8
81.03460	4.0
87.00895	3.6
87.04516	1.3
89.02440	0.7
93.03496	0.7
99.00875	3.4
99.04520	6.8
103.00348	0.6
112.98804	0.7
117.03450	0.9
119.05025	31.7
120.05378	1.3
125.02367	0.9
131.05046	0.7
134.03755	4.4
135.04501	1.1
143.03502	10.6
145.02965	1.4
149.06068	0.6
150.76976	0.6
161.04550	10.6
162.04831	0.8
163.04012	35.9
164.04326	2.3
168.12462	0.6
178.39888	0.6
179.05609	100.0
180.05981	3.4
193.05066	6.1
193.96939	0.6
196.90828	0.6
216.84320	0.7
237.09224	1.1
325.09348	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73483	1.8
57.03436	9.0
57.88463	1.8
59.01387	11.9
59.61777	1.7
60.59037	2.3
69.03436	6.3
71.01380	4.3
71.05037	9.6
73.02940	2.2
75.30225	1.8
81.88634	1.8
83.05038	5.0
91.05529	2.0
93.03448	2.6
95.05028	2.3
95.09528	2.2
97.02944	8.8
97.06581	6.7
101.67739	1.9
105.62738	2.2
107.05004	2.6
107.49883	2.0
109.06600	33.0
111.08134	3.2
125.06086	3.6
127.07657	4.9
134.03749	3.7
141.40225	2.0
151.11223	3.3
169.12347	6.3
171.10304	7.8
181.12396	6.0
183.10277	2.9
183.13832	4.8
185.11658	2.8
193.05106	4.6
193.12360	3.1
195.13934	3.7
197.11844	70.5
198.12122	3.0
199.13423	4.6
201.11349	4.7
207.13821	2.7
209.11809	7.1
211.13393	36.8
212.13965	2.7
213.11298	4.7
219.89600	1.9
223.13399	8.3
225.15021	3.1
227.12816	2.6
235.13383	6.5
237.14951	6.9
249.14917	2.3
276.99536	2.0
281.70468	2.2
289.18005	9.2
307.19049	3.9
325.20197	100.0
326.20389	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	5.7
58.49884	1.2
59.01381	6.8
65.03959	3.4
66.82735	1.4
69.30190	11.5
70.70451	1.5
71.01379	3.9
71.05025	3.8
73.02981	1.7
77.29233	1.4
82.87616	1.3
83.01434	1.3
83.05019	1.5
84.02177	2.0
87.00841	1.4
97.06597	6.5
99.08217	1.4
109.06557	3.1
111.08167	12.5
121.06601	4.0
123.08192	5.3
125.09729	9.1
127.07676	2.7
127.11265	2.5
134.03722	6.9
135.08159	3.5
137.09799	2.5
151.11314	4.9
153.09189	7.5
153.12830	3.1
155.10774	4.3
167.10786	3.7
171.10262	33.7
171.11658	2.5
181.12314	3.7
181.50844	1.5
183.10402	3.0
185.11830	17.9
186.28743	1.4
191.10852	1.5
191.14496	1.8
193.05060	10.9
197.11836	15.7
199.13411	25.2
200.13814	1.5
201.11270	21.4
209.11827	9.9
211.13419	2.9
213.11307	4.6
215.12856	5.2
226.91066	1.4
227.12883	100.0
228.13257	6.3
229.14432	12.9
240.51781	1.3
245.18993	3.9
289.18018	8.6
297.20825	1.4
307.19156	12.2
308.19464	2.0
325.14719	3.3
325.20291	23.6
326.20462	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72036	7.0
53.65010	6.4
54.57524	6.7
57.03459	19.9
59.01384	53.7
64.42462	7.2
67.90115	7.8
69.03451	12.8
70.74055	21.2
71.01392	22.0
79.37210	7.5
79.95756	9.9
83.05030	21.9
85.29250	6.8
87.00874	16.2
90.27914	7.7
95.05029	17.0
96.04173	7.8
97.06585	32.0
109.06573	16.2
111.08141	17.0
112.05322	7.1
112.98825	8.0
115.07647	13.9
119.05037	10.8
125.09702	15.5
126.05787	8.1
130.99820	8.5
134.03781	69.3
135.08052	8.5
137.09726	13.9
151.11295	45.5
153.09229	8.1
155.10826	16.7
163.11342	16.0
165.12822	23.2
167.10814	8.9
171.10242	20.0
178.02684	9.0
179.10799	14.6
181.12334	26.1
183.01204	30.5
193.05057	100.0
194.58380	10.2
197.11804	21.2
209.11845	82.0
227.12851	10.8
229.14407	13.0
248.86725	8.5
307.19153	67.8
325.18253	27.5
325.23767	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	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10163	0.4
50.26290	0.4
59.01390	2.4
69.40254	3.0
69.40672	1.4
71.01379	0.9
83.49803	0.4
87.00847	0.6
89.02444	0.7
101.02422	0.4
103.00353	0.6
105.03355	0.4
105.61778	0.5
117.03462	3.5
118.03783	0.6
118.04988	0.5
119.05031	100.0
120.05361	5.3
134.03734	1.8
145.02959	19.7
146.03265	0.9
149.06070	0.5
163.04015	76.4
164.04340	4.0
178.02692	0.6
187.04099	0.6
187.28854	0.5
193.05025	3.5
205.04851	0.5
265.07199	0.5
285.04147	0.6
299.32834	0.5
325.09283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48940	0.3
58.55717	0.4
59.01091	0.5
59.01377	6.4
63.15273	0.3
71.01386	2.9
77.69386	0.3
87.00878	0.8
89.02441	2.2
101.02449	1.1
102.74648	0.3
103.00384	0.5
113.02454	0.7
116.36604	0.3
117.03467	19.7
118.03005	0.3
118.03793	0.7
119.03509	0.7
119.05029	5.6
133.06589	0.6
134.03740	2.4
145.02953	100.0
146.03287	4.9
149.00955	0.5
149.06056	0.5
159.04518	0.4
161.06046	1.1
163.04005	8.4
164.04350	0.6
178.02669	0.7
187.04022	3.6
193.05058	4.2
194.05432	0.4
205.05061	1.4
228.03519	0.4
235.06218	0.6
239.25053	0.3
265.07172	2.2
288.20941	0.3
317.25311	0.4
325.09305	5.3
326.68146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
52.17047	0.7
59.01375	8.6
60.57630	0.6
62.00095	0.7
64.13004	0.5
71.01380	6.0
71.05023	1.7
72.99302	5.4
73.02953	5.1
75.00871	38.1
80.96519	1.0
81.03458	5.7
85.02961	0.7
87.00864	5.4
87.04524	1.4
89.02428	0.9
93.03483	1.2
99.00856	4.4
99.04527	6.4
103.00371	1.4
112.98812	1.3
117.03455	1.2
119.05025	49.2
120.05357	1.5
122.28706	0.6
125.02523	0.6
126.12339	0.5
133.02954	0.8
134.03745	6.9
135.04552	3.5
136.04826	0.9
143.03503	9.8
145.02940	2.7
149.00928	0.7
149.06082	1.1
161.04562	13.1
163.04010	68.5
164.04353	3.9
170.87932	0.6
173.05991	0.7
178.02690	0.6
179.05612	100.0
180.05957	3.3
187.07655	0.8
193.05070	5.8
198.15179	0.7
229.54880	0.7
237.09143	1.1
263.12817	0.9
325.09314	7.4
325.12933	0.9
326.09613	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27354	0.5
53.76548	0.6
59.01381	8.3
63.35165	0.6
69.04625	0.6
70.17338	1.6
70.17734	1.1
72.99310	0.8
84.99281	0.6
87.00882	9.2
89.03960	1.3
103.00383	4.7
107.88004	0.6
112.98815	9.5
117.03474	7.4
119.05035	12.5
130.99873	0.7
134.03745	76.6
135.04079	3.3
137.02480	1.2
149.00887	1.4
149.06084	6.1
154.11620	0.6
163.04028	10.5
178.02695	5.1
193.05060	100.0
194.05386	4.4
214.76678	0.6
240.21892	0.7
263.77411	0.6
264.96896	0.7
324.69006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	1.3
59.01381	48.1
60.52895	1.4
60.75462	1.1
67.25371	1.2
69.43474	9.4
72.99319	2.9
73.23896	1.2
76.16115	1.2
77.09387	1.2
85.12742	1.2
87.00880	20.9
103.00371	16.6
104.15743	1.1
110.66003	1.2
114.75623	1.2
117.03464	14.6
119.05014	2.4
130.99831	7.3
134.03745	51.9
137.02444	3.7
138.37331	1.3
145.02954	48.3
146.03293	2.5
149.00912	3.5
149.06116	8.5
163.04033	4.9
174.88831	1.1
177.32300	1.3
178.02742	20.5
185.73523	1.2
193.05055	100.0
194.05382	4.9
309.71930	1.4
325.09265	2.3
347.41061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0565
Annotation	trans-fertaric acid
Peak:m/z	Relative Intensity
51.07266	0.5
59.01377	8.0
59.46774	0.5
70.10890	2.2
72.99314	0.7
82.34798	0.5
84.99340	0.7
87.00874	8.4
89.03981	1.6
97.28191	0.5
99.25782	0.5
100.87880	0.5
103.00381	4.4
112.41677	0.6
112.98820	9.5
117.03470	5.2
130.99904	0.8
134.03745	66.4
135.04071	2.4
137.02483	0.5
138.52130	0.5
146.94379	0.5
149.00926	1.9
149.06100	6.3
178.02684	3.9
193.05058	100.0
194.05392	4.4
202.79480	0.5
289.56281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0564
Annotation	trans-fertaric acid
Peak:m/z	Relative Intensity
58.00591	2.6
59.01378	40.8
71.10811	1.2
71.32801	0.6
72.99311	1.8
73.02944	0.7
75.14347	0.6
77.86423	0.5
87.00877	20.3
89.03960	1.2
90.88839	0.5
96.74368	0.5
97.43286	0.6
103.00373	16.3
112.98824	2.6
117.03484	3.2
119.05037	1.9
130.99866	6.4
132.02048	0.5
133.02983	0.8
134.03743	47.9
135.04085	2.1
137.02431	4.9
139.04018	1.3
145.02946	1.0
149.00905	1.5
149.06091	10.0
149.38264	0.6
150.03253	1.1
150.06480	0.8
161.02374	0.7
163.04086	1.4
178.02716	18.9
179.03288	0.7
179.57736	0.6
193.05057	100.0
194.05367	5.3
300.02615	0.8
325.06699	0.7
325.20462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14440	0.7
59.01377	10.6
60.00420	0.7
64.32702	0.7
70.73732	1.9
87.00890	9.4
89.03954	1.9
103.00356	3.2
105.59630	0.8
108.34943	0.8
112.98820	12.2
117.03469	8.6
127.41871	0.7
130.99896	1.3
134.03749	73.4
135.04074	3.4
137.02425	1.2
149.00902	2.3
149.06107	8.7
153.30721	0.8
158.84503	0.8
178.02754	4.5
178.59772	0.8
193.05067	100.0
194.05426	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	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50161	1.3
57.03449	1.7
59.01382	5.0
71.00119	1.3
71.00437	2.1
71.05021	4.3
74.11491	1.1
81.03436	1.9
82.10548	1.3
83.05017	2.2
95.04999	1.8
96.96030	1.2
97.06609	2.4
99.04501	1.7
111.08170	3.3
113.38575	1.2
119.08672	1.3
121.10215	5.8
123.08185	1.8
125.09711	3.5
133.74829	1.4
137.09740	10.2
145.46681	1.4
149.09711	3.9
151.11227	1.6
171.10292	7.2
177.12852	3.3
185.11792	6.8
193.12363	3.4
194.13036	1.4
195.13918	3.0
197.11919	2.3
209.12021	1.3
211.13322	1.9
217.15942	1.7
221.11813	5.4
222.12611	2.1
223.13359	1.8
225.14963	8.6
238.12044	2.2
247.20726	2.0
253.14423	6.2
273.18582	6.6
291.19662	57.3
292.20074	7.4
305.17706	1.4
305.21170	22.6
306.21539	2.5
323.22275	100.0
324.22662	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	323.259
Annotation	(plusmn)15-HEDE
Peak:m/z	Relative Intensity
57.03429	0.6
59.01370	1.4
59.12140	0.4
75.45540	0.3
109.49390	0.4
113.09728	2.5
137.09723	1.0
199.13412	1.1
201.50389	0.3
207.17633	2.0
209.15514	0.4
222.18109	0.4
223.14806	0.8
223.17032	17.4
224.17400	1.2
241.37941	0.4
260.31415	0.4
305.24850	19.5
306.25256	2.4
323.25894	100.0
324.26254	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	1.9
57.03436	2.8
69.03438	1.9
70.59887	5.7
78.67325	1.6
102.63811	1.9
113.83598	1.9
125.09724	5.6
127.07680	2.0
133.56850	1.5
145.14966	1.8
163.11279	5.4
165.09090	1.9
165.11510	1.7
165.12833	6.3
181.12334	3.9
193.12355	2.1
197.11807	12.5
207.10306	2.1
221.11815	2.9
237.14986	2.8
239.12886	5.6
241.14468	2.3
247.20654	4.3
265.99722	1.6
273.08362	1.7
273.18512	5.8
291.19644	67.2
292.20010	6.1
305.21243	2.9
306.21198	1.7
308.19952	7.9
323.22256	100.0
324.22595	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73859	1.5
69.50180	11.7
98.20663	1.7
109.06553	2.6
111.08136	5.0
125.09708	5.8
151.11244	2.4
152.28432	1.7
163.11278	3.4
165.09184	2.2
165.12747	3.8
171.10237	1.4
181.12328	6.7
186.78410	1.5
193.12292	1.8
197.11835	37.4
198.12175	1.8
213.14987	6.3
218.24251	1.7
221.11920	2.2
225.14893	3.6
226.76825	1.7
239.12904	3.7
241.14507	1.8
247.20676	2.2
249.26042	1.5
263.19894	1.8
273.18643	9.1
275.36188	1.7
291.16580	3.1
291.19650	42.7
292.20013	4.5
305.21188	7.7
308.19873	3.9
323.22253	100.0
324.22562	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	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
60.93604	0.6
61.98816	0.6
62.80596	0.6
70.30320	1.8
80.96464	0.6
87.73580	0.6
96.96016	0.7
109.06566	0.6
137.06097	1.1
137.09740	0.6
148.86040	0.6
156.04236	0.8
165.09154	1.6
165.12825	1.4
167.10773	0.6
167.14474	0.7
193.12485	0.7
225.15010	0.8
237.14995	0.7
261.22260	5.0
305.21219	100.0
306.21548	12.0
323.16833	2.5
323.22256	17.9
324.22565	2.4
346.70895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.6
57.03442	8.2
59.01383	9.0
59.15565	2.7
65.04009	2.5
69.03446	5.4
69.45027	18.2
69.45436	4.4
69.86658	3.0
70.37494	2.5
71.05028	14.9
73.28950	2.5
80.02686	4.7
81.03458	7.3
83.01412	14.5
83.05020	12.1
84.02168	6.1
87.04443	2.3
95.04472	4.4
95.05028	46.1
96.95951	2.4
97.02990	3.6
97.06590	19.2
99.04515	5.5
106.04252	4.4
109.06583	9.8
113.06080	13.6
120.05782	3.6
121.02957	4.2
123.04525	8.8
123.08174	9.9
125.06121	3.7
125.09718	28.8
130.08736	15.3
131.09088	7.1
135.08163	24.8
137.06108	2.8
137.09720	2.7
149.09720	3.5
151.07655	4.6
153.09225	8.4
163.11287	12.6
165.12831	4.8
167.10777	4.1
171.10275	4.4
177.12877	3.0
179.10741	3.7
181.12383	2.6
185.11844	23.1
187.36252	2.6
189.12842	3.6
191.10751	8.4
195.10255	4.6
197.11830	3.3
203.14397	9.6
207.10280	2.9
209.11830	100.0
210.12122	5.6
210.97888	2.7
211.13287	4.7
219.09935	2.3
219.13965	2.6
221.11661	2.9
223.13391	4.9
223.40131	2.7
235.13316	4.1
237.14940	6.5
243.17430	6.1
247.13467	14.8
249.14772	3.8
261.18713	3.4
265.14453	35.4
266.14746	4.6
271.66891	2.5
287.16510	10.5
305.17554	28.0
306.18039	3.5
323.18542	72.9
324.19003	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	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
55.01877	5.4
57.03456	28.1
59.01382	10.6
63.74062	3.0
69.03446	5.3
70.79816	7.8
71.05026	34.2
73.02953	4.8
80.02664	5.5
81.03458	13.6
83.01391	18.7
83.05017	27.0
84.02171	14.7
85.02968	4.3
85.06618	4.9
93.03442	4.0
95.05027	77.2
97.02954	5.1
97.06591	16.4
99.04522	5.4
99.92582	6.1
101.06107	6.2
106.04237	3.8
107.05035	5.0
109.06600	16.8
111.04520	7.1
112.05325	4.2
113.06086	56.3
116.92866	9.4
116.98676	3.2
121.06526	3.9
122.03826	3.1
123.04518	8.2
123.08191	5.3
124.14076	3.1
125.06060	4.0
125.09726	29.1
127.63348	3.3
132.89162	3.2
135.08182	25.0
136.05336	3.4
141.13023	3.0
149.09804	3.8
151.07657	7.1
151.11230	3.8
153.09230	5.0
160.08977	3.1
163.11281	10.0
165.12854	8.9
167.10788	3.7
171.10278	13.2
177.12839	8.9
181.12311	5.6
183.59621	3.4
185.11829	19.4
189.12860	9.4
191.10832	8.9
196.65587	3.2
203.10646	5.0
203.14447	5.5
205.15973	4.6
209.11813	93.4
210.12292	6.6
211.13441	8.6
219.14027	3.2
221.11781	7.4
225.11414	3.8
231.13959	6.6
233.11943	3.0
237.14951	100.0
238.15279	8.4
243.17499	9.6
247.13403	9.9
249.14957	6.3
265.14453	21.8
279.19730	3.2
287.16467	47.5
288.16864	4.4
305.17563	62.9
306.17752	5.9
323.05826	5.1
323.18591	56.4
324.18939	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31256	4.2
54.41546	4.4
55.01893	5.4
57.03441	16.6
59.01376	36.1
70.73689	14.3
71.01395	9.2
71.05013	30.6
81.03462	5.2
81.63624	4.4
83.05061	6.4
85.02962	5.1
89.02463	4.8
93.03469	4.8
95.05023	21.3
96.96038	9.9
97.06622	7.6
97.12505	5.1
99.04535	8.3
101.06096	6.2
107.05064	6.5
109.06584	16.3
112.44243	5.0
113.02440	6.5
119.05018	6.1
121.06586	6.0
121.97865	4.3
125.09740	5.4
135.08208	7.3
147.08162	4.6
165.09190	9.9
177.12883	10.1
179.10825	4.3
189.12834	12.7
195.13879	10.5
203.10600	6.2
203.14465	5.6
221.11836	13.8
225.11148	5.2
235.13338	9.7
237.14951	73.7
238.15202	8.9
243.17552	8.6
249.15005	15.0
250.15288	5.1
267.16223	6.5
279.19467	4.9
287.16516	35.3
291.19620	9.2
305.17578	79.6
305.21234	100.0
306.18060	8.8
306.21442	10.6
323.18655	22.3
323.22253	38.7
324.22226	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46639	2.7
59.01383	30.1
71.01384	10.3
71.61949	4.4
86.00105	3.6
87.00882	10.9
89.02457	4.1
96.96009	4.7
113.02461	6.6
193.12360	56.9
194.12996	6.6
221.11874	14.7
222.12611	9.2
225.14969	9.8
226.43898	3.0
229.19653	15.9
237.15161	3.1
254.11670	6.9
273.18552	28.2
291.19662	100.0
292.20059	11.8
305.21106	4.9
323.09802	6.5
323.18884	7.4
323.22260	49.6
324.22751	5.1
329.28262	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	323.1865
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03451	8.4
59.01389	11.5
68.99818	3.3
69.90797	2.3
71.01379	3.4
71.05026	7.6
75.37600	2.2
81.03445	4.3
83.05025	7.9
95.05029	41.0
97.06606	11.2
98.20615	6.4
106.04266	4.8
107.05028	7.3
109.06610	21.9
119.05055	2.5
121.02946	3.5
121.06593	6.6
122.03739	30.8
123.08177	9.2
125.09723	14.6
133.06598	57.4
134.06853	2.7
135.04541	2.9
135.08162	38.0
136.05276	2.6
139.07640	4.6
147.04518	5.2
149.09694	3.8
151.07655	45.2
152.08055	2.4
155.41559	2.6
161.06114	3.0
161.09785	4.3
162.06848	2.6
171.10286	53.5
179.14404	3.4
181.12479	3.0
185.11771	7.2
189.12836	7.5
191.10666	2.5
197.11865	3.7
207.10158	3.9
209.11835	4.5
211.13365	2.5
223.13414	40.7
243.17563	31.5
249.14944	4.9
263.16516	6.9
265.14395	19.8
269.15454	5.3
287.16541	100.0
288.16830	10.0
305.17590	83.4
306.18021	8.3
323.14951	3.9
323.18555	30.2
338.59921	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77193	0.4
56.27076	0.4
57.48756	0.5
59.01380	100.0
60.01713	0.8
65.58552	0.4
71.01385	1.9
79.14636	0.4
83.38158	0.4
87.60704	0.4
89.02450	4.0
96.37801	0.5
101.02443	1.1
113.02488	1.5
119.03545	1.2
131.34663	0.4
141.03661	0.5
214.66335	0.5
234.44513	0.4
302.30252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36909	1.6
52.63710	1.8
56.39230	1.5
57.54033	1.7
58.10907	1.6
59.01384	100.0
59.13946	1.6
62.17676	1.6
64.41788	1.4
69.96338	4.4
69.96755	6.0
71.01373	4.1
84.38207	1.7
89.02438	4.9
94.06612	5.6
108.66396	1.9
120.59373	2.0
122.06120	1.9
131.19171	1.8
136.07672	11.9
138.05583	7.4
184.06271	1.7
215.96040	1.8
259.10956	2.6
259.14456	2.1
321.10510	2.0
321.38278	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	321.1707
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
51.62083	1.2
57.03448	7.4
59.01388	11.2
59.87961	1.1
61.27453	1.2
69.03449	2.9
70.61508	2.8
70.61861	2.6
71.01421	1.7
71.05026	10.7
73.02964	2.3
80.02674	2.9
81.03456	7.3
83.05042	6.0
88.19799	1.2
93.03455	11.3
95.05031	68.8
96.05358	3.0
96.96015	1.8
97.06582	11.4
98.19987	1.5
106.87399	1.3
107.05019	8.7
108.02102	1.5
109.02951	2.9
109.06596	15.5
111.04498	7.5
111.44772	1.3
119.05025	1.8
121.02953	9.0
121.06594	3.9
122.03696	2.1
123.04524	5.6
123.08175	10.2
125.09732	68.1
126.10035	3.0
133.06592	2.0
135.04543	9.1
135.08124	1.8
136.05296	2.7
137.06091	4.6
139.11290	1.8
149.06085	10.2
149.09772	1.4
151.07655	100.0
152.07967	5.6
163.11273	2.2
167.07133	8.8
167.10715	3.5
169.08688	1.2
171.10246	11.9
177.12881	3.1
178.06377	3.8
185.11845	20.5
199.13445	1.6
201.12666	1.5
205.12360	3.9
207.10315	2.8
211.13197	1.7
219.13840	4.7
221.11803	5.0
221.15485	1.7
223.09727	2.3
223.13370	7.3
233.11916	1.5
235.13379	4.2
237.11264	5.5
239.12849	4.4
245.11832	2.6
247.13344	5.0
250.12119	1.4
259.17004	2.1
263.12863	5.9
265.14490	26.5
266.14743	2.9
279.15976	4.2
285.15027	2.2
289.18097	2.9
293.17499	2.3
303.15985	12.3
321.17172	40.5
321.20657	6.4
321.23831	2.4
322.17401	3.6
322.20828	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	321.2071
Annotation	Rapanone
Peak:m/z	Relative Intensity
57.50754	0.8
59.01383	100.0
60.01709	1.5
69.49870	1.2
69.50268	4.7
74.20199	0.7
76.67137	0.8
80.47882	0.9
96.95994	1.6
103.31690	0.8
122.26426	0.8
125.02528	0.9
172.74745	0.9
184.67766	0.9
252.57646	0.9
275.23724	2.7
277.18149	0.9
286.71573	1.0
321.20648	53.7
321.24350	24.3
322.20944	5.4
322.24744	2.7
336.88351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2435
Annotation	8(S)-HETrE
Peak:m/z	Relative Intensity
59.01381	2.2
65.31596	0.4
71.01377	1.2
78.95898	4.4
80.96520	7.5
96.95988	0.5
98.20632	1.0
116.68274	0.5
140.88777	0.5
195.13850	1.1
207.17560	1.4
223.17033	12.5
224.17509	2.2
228.51823	0.4
233.15364	1.1
236.28493	0.4
239.16449	1.3
245.93564	0.4
251.16498	13.7
252.16989	1.6
256.16794	3.3
263.20239	0.5
267.16019	1.2
270.21887	0.5
284.16260	3.6
303.23221	9.8
304.23663	1.2
321.24344	100.0
322.24667	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	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
52.22614	0.1
54.88852	0.1
55.99354	0.2
57.03436	0.2
58.02975	1.8
59.01385	0.3
70.10807	0.5
80.02696	0.2
81.03474	0.5
83.05032	0.3
84.52912	0.1
95.05020	0.7
97.06604	0.4
101.28283	0.1
103.60717	0.1
109.06615	0.7
128.10822	7.2
129.11192	0.2
130.08742	100.0
131.09082	3.5
139.14542	0.1
165.12830	0.9
172.09793	0.5
193.85706	0.1
209.11870	0.3
243.19585	0.2
305.17889	0.2
322.20224	31.4
323.20688	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
57.03419	1.0
58.00582	4.8
59.01377	90.3
59.64657	0.9
70.80580	1.2
70.80907	2.0
71.01383	51.0
72.99295	2.5
73.02950	1.1
77.99529	0.8
83.01376	2.5
85.02954	8.3
87.00858	2.2
89.02444	52.7
91.21242	0.9
95.01394	3.0
98.20003	1.0
101.02438	32.0
113.02450	18.1
114.02753	1.0
119.03487	23.8
131.03481	1.2
143.03464	2.5
149.04543	1.9
161.04552	2.3
179.05574	3.3
323.13455	100.0
324.13864	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
58.00589	2.6
59.01382	100.0
61.82112	1.0
68.70505	1.0
70.78500	2.2
71.01386	49.9
72.01743	1.1
72.99304	2.8
73.02940	1.8
83.01387	3.0
85.02953	11.2
85.37000	1.1
87.00903	2.0
89.02447	57.4
95.01389	4.0
101.02445	31.7
113.02448	19.4
114.78943	1.0
116.26722	1.0
119.03500	24.2
119.04308	1.7
120.03875	0.9
131.03493	1.7
143.03493	3.5
143.07071	0.9
157.11313	0.9
161.04536	3.2
179.05588	3.4
232.21114	1.1
323.13461	84.0
324.13864	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	320.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.5
59.01381	3.4
68.63006	0.5
71.01381	3.5
71.60981	0.6
73.02942	0.8
75.31947	0.5
83.01363	0.6
85.02956	0.9
85.07204	0.5
87.00866	3.8
89.02438	1.4
99.00898	1.1
99.04462	0.6
101.02427	1.3
102.94367	0.6
103.00243	0.6
110.02492	1.2
113.02430	1.6
114.09194	0.5
119.03468	0.5
124.04047	1.0
129.01962	0.9
135.04517	0.9
136.07645	0.8
138.05658	0.6
140.07173	100.0
141.07533	3.6
152.03549	1.3
153.04320	7.3
154.08704	8.0
161.04596	0.8
161.08145	1.7
164.07185	0.6
167.05855	2.0
182.08211	31.3
183.08557	1.0
200.09297	7.7
242.58708	0.7
252.56201	0.5
302.12408	5.8
313.15656	0.7
320.13373	1.8
321.11859	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	320.9623
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	2.2
70.78226	0.5
78.95898	0.4
79.60043	0.2
105.55398	0.2
111.42406	0.2
119.93726	0.5
134.96091	15.2
135.96146	1.1
136.94012	51.8
137.94092	3.8
143.46754	0.2
145.16324	0.2
148.84320	0.2
151.92726	2.4
152.92889	0.2
176.98105	1.9
177.98303	0.3
178.95067	100.0
178.97757	5.4
179.95232	8.4
179.97783	0.4
185.93491	0.2
196.96124	0.9
219.49825	0.2
236.94038	0.4
248.87112	0.6
249.37198	0.9
249.86928	1.0
276.97192	2.0
277.97379	0.4
278.88379	0.4
278.95178	3.3
279.94977	0.4
320.96204	34.6
321.96384	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	319.2277
Annotation	19S-HETE
Peak:m/z	Relative Intensity
51.64916	0.3
59.01375	0.4
62.92735	0.3
69.07014	0.3
73.85976	0.4
81.07093	0.5
82.69101	0.3
83.05022	1.9
108.28529	0.3
132.75124	0.2
149.61656	0.3
166.87123	0.3
219.17570	2.1
219.70320	0.3
238.78012	0.3
241.19571	2.8
257.22714	0.6
259.20828	0.5
261.97052	0.3
271.20569	0.4
285.18677	0.6
289.21722	4.0
290.22113	0.5
301.21774	0.4
307.22928	0.9
319.22772	100.0
320.23117	12.8
333.20743	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	319.2279
Annotation	19S-HETE
Peak:m/z	Relative Intensity
50.38477	0.4
53.51517	0.4
59.01379	0.9
59.98521	0.4
62.15574	0.4
69.03468	0.4
69.54717	2.9
83.05012	1.3
98.20598	0.8
101.71024	0.4
102.39010	0.4
113.02486	0.4
167.85944	0.4
219.17563	2.3
229.82799	0.4
241.19662	2.4
271.20746	0.8
285.18692	1.1
289.21716	2.5
289.86761	0.5
319.22781	100.0
320.23099	11.7
333.20749	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	319.1913
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
55.97740	2.6
57.03432	2.7
59.01365	6.7
64.04054	2.7
67.51929	2.6
69.03442	8.3
69.66859	3.0
71.05024	100.0
71.61350	3.2
73.02957	2.9
81.03436	8.3
83.05004	4.6
93.03435	3.9
95.01376	14.1
95.05023	5.1
97.02945	12.5
104.62263	3.5
106.04279	4.9
108.02179	6.2
109.02952	9.1
119.05031	8.4
121.02914	3.6
121.06590	14.4
123.08104	2.9
135.08141	3.5
136.05260	11.0
147.04482	4.2
161.06015	4.0
162.06862	6.3
176.08398	3.7
177.12798	3.6
188.00381	3.0
215.10696	6.8
231.13835	11.1
243.17534	10.6
247.13382	8.4
251.76772	2.9
259.16968	8.7
263.16486	14.2
287.16534	38.7
288.16443	4.6
291.19681	4.8
304.16638	3.8
319.19153	83.8
319.22662	8.4
320.19568	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	19S-HETE
Peak:m/z	Relative Intensity
59.01376	3.0
71.61217	2.3
79.95737	2.6
82.74018	1.1
82.82778	1.0
91.97968	1.0
94.73093	1.1
106.98109	1.6
114.56949	1.0
117.61968	1.1
118.90919	0.9
138.02312	1.3
167.03912	1.1
257.19540	1.2
273.22238	1.9
299.91248	1.1
319.22775	100.0
320.18967	7.0
320.23105	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	319.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	7.9
59.01375	1.1
62.17250	0.6
70.11317	1.2
70.11713	1.7
72.00906	5.9
82.06620	3.3
91.05533	11.6
106.16122	0.7
112.07685	4.6
116.05089	0.8
118.06618	2.7
126.09228	2.0
129.10347	78.0
130.10704	2.2
135.04552	1.1
147.04524	29.7
148.04906	1.5
153.10300	4.8
154.08734	12.8
164.07162	70.2
165.07516	4.0
171.11388	59.4
172.11739	1.7
216.13837	1.4
233.16571	37.8
234.16898	4.2
247.05428	0.7
275.17642	6.5
276.17874	0.8
277.15558	3.1
319.16614	100.0
320.16965	13.2
327.41940	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.8
61.20296	0.7
69.03442	0.9
71.01376	2.3
71.61319	0.9
82.21293	0.6
84.04568	1.3
87.00893	0.9
95.05048	1.0
97.01701	0.9
109.02911	0.6
110.02460	0.9
112.04047	12.1
120.04553	2.6
121.03005	0.7
121.05358	5.0
122.06136	7.9
123.03274	15.0
123.06435	0.7
124.04054	18.1
125.09687	0.6
130.99831	0.7
133.03008	0.6
134.06091	0.9
135.04501	1.4
136.07681	49.4
137.06113	4.2
137.08041	2.4
138.05609	100.0
139.05969	4.8
140.07170	4.1
149.00919	0.7
150.05600	2.5
152.01175	0.7
182.04552	12.0
183.05365	9.2
184.06146	22.8
184.07780	1.1
185.06448	0.9
203.95781	0.7
209.11852	1.4
214.12329	0.7
215.04352	2.5
242.10638	1.3
257.12970	14.2
258.11194	1.3
258.13531	1.2
275.14151	1.3
301.11902	1.2
319.08881	0.8
319.12991	9.3
320.13425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.155
Annotation	beta-Zearalenol
Peak:m/z	Relative Intensity
52.23504	0.6
59.01368	1.8
65.98086	0.6
69.80710	0.7
85.02899	0.8
86.22321	0.6
98.20650	1.2
99.92495	0.7
108.02183	15.4
117.25684	0.7
121.02942	0.9
122.03736	1.9
123.04522	2.3
124.01665	3.3
133.02957	15.0
146.03740	0.8
147.04546	3.4
148.05283	6.5
150.03217	5.5
160.05383	0.8
161.06079	12.6
162.03226	1.9
162.06419	1.1
163.04012	0.8
175.04001	2.3
176.04774	14.8
177.05089	0.7
183.13885	1.0
211.13387	13.9
212.13763	0.8
245.15492	1.8
247.16959	1.2
273.14948	22.3
274.15302	2.4
275.16492	1.1
283.13351	1.6
291.16080	2.2
301.14447	50.7
302.14737	4.7
319.15497	100.0
320.15775	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	317.124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	74.2
60.01699	1.3
60.60294	0.8
69.11792	0.8
69.51446	5.9
71.01385	0.7
72.99318	2.4
78.67561	0.7
87.00876	18.3
90.64418	0.7
103.00364	8.2
103.56777	0.9
112.98834	1.6
115.98458	0.8
119.05039	1.0
124.85960	0.6
130.99867	3.1
133.02959	4.0
134.03790	0.7
135.04533	3.9
149.00920	5.5
156.82411	0.8
161.02402	1.8
176.04787	1.5
177.01987	1.9
178.06003	0.8
179.03441	1.7
185.11824	100.0
186.12160	5.1
191.03519	2.0
199.13312	1.1
219.02994	1.7
220.03683	5.0
242.76982	0.7
251.07198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	3.8
58.07965	1.0
59.01380	100.0
60.14670	1.1
63.12560	1.2
63.86497	1.0
71.60984	1.6
71.61371	1.6
72.99313	8.5
87.00876	39.0
103.00376	58.6
112.98807	3.5
119.04994	2.0
130.99870	30.1
133.02910	3.8
135.04510	4.7
137.02414	1.2
149.00859	1.2
160.06291	1.3
163.04022	1.8
164.37357	1.2
173.00009	1.1
179.03517	2.1
185.11841	10.9
189.28796	1.2
220.03833	1.3
232.07513	1.3
243.11411	2.7
264.80884	1.1
273.12344	4.0
273.96024	1.1
312.92099	1.2
317.12018	4.0
317.19745	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	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
59.01380	13.8
70.05592	1.1
71.01363	2.2
71.05026	6.3
71.62069	1.7
72.99280	1.6
76.10599	1.3
80.10055	1.2
83.05009	2.1
87.00857	1.9
88.19249	1.0
89.02433	2.5
91.04003	5.0
97.02952	5.2
97.06609	4.0
99.00880	30.2
100.01201	1.5
103.00388	1.5
106.42215	1.2
108.04599	1.2
109.06564	2.9
110.03729	1.3
123.08162	2.8
125.02508	1.1
125.09715	12.6
133.02969	1.8
135.04536	5.5
135.08156	1.7
137.02441	2.1
142.02737	2.5
152.13832	1.3
153.12839	1.6
161.02446	2.9
163.11295	17.2
164.11653	1.5
177.01929	1.4
179.03514	2.4
179.10797	2.1
181.12335	53.3
182.12688	4.5
191.03438	1.1
197.11795	1.8
199.13399	39.4
200.13684	1.9
207.10260	46.8
208.10666	3.2
225.11314	97.4
226.11658	6.2
240.08879	1.4
243.12373	100.0
244.12743	5.2
255.11436	8.0
273.12439	13.6
317.16064	76.7
318.16342	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	317.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.7
59.01380	13.8
70.05592	1.1
71.01363	2.2
71.05026	6.3
71.62069	1.7
72.99280	1.6
76.10599	1.3
80.10055	1.2
83.05009	2.1
87.00857	1.9
88.19249	1.0
89.02433	2.5
91.04003	5.0
97.02952	5.2
97.06609	4.0
99.00880	30.2
100.01201	1.5
103.00388	1.5
106.42215	1.2
108.04599	1.2
109.06564	2.9
110.03729	1.3
123.08162	2.8
125.02508	1.1
125.09715	12.6
133.02969	1.8
135.04536	5.5
135.08156	1.7
137.02441	2.1
142.02737	2.5
152.13832	1.3
153.12839	1.6
161.02446	2.9
163.11295	17.2
164.11653	1.5
177.01929	1.4
179.03514	2.4
179.10797	2.1
181.12335	53.3
182.12688	4.5
191.03438	1.1
197.11795	1.8
199.13399	39.4
200.13684	1.9
207.10260	46.8
208.10666	3.2
225.11314	97.4
226.11658	6.2
240.08879	1.4
243.12373	100.0
244.12743	5.2
255.11436	8.0
273.12439	13.6
317.16064	76.7
318.16342	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	318.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
58.00581	2.5
59.01381	64.5
59.35289	0.8
69.03410	0.8
70.07236	2.9
70.07571	1.3
70.60846	1.0
71.01384	38.9
72.01722	0.8
72.99301	2.5
73.02925	1.2
74.02478	0.9
74.66338	0.9
79.66607	0.8
83.01398	2.0
85.02950	6.8
87.00871	2.2
89.02447	32.7
90.02772	1.0
95.01385	3.2
97.46883	0.7
99.00842	0.8
101.02448	23.3
112.04092	3.8
112.07690	2.4
113.02451	12.6
119.03509	14.7
124.04082	1.0
126.05618	0.9
131.03453	0.9
138.05611	19.8
143.03484	1.2
154.05081	2.0
156.06656	14.5
161.04587	1.0
168.06694	1.2
213.44514	0.7
274.14047	0.8
277.48489	0.9
300.11630	0.8
318.11935	100.0
319.12369	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	317.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21716	0.4
59.01387	1.9
69.47189	3.8
76.58491	0.4
77.00867	0.4
84.60661	0.5
85.06573	0.5
87.00877	0.9
94.06596	0.7
98.19831	0.8
103.00395	0.8
104.05073	1.1
112.01670	0.4
118.03044	0.7
120.04513	0.6
122.06111	6.1
124.04036	0.8
124.07676	4.7
131.03838	0.5
134.06146	0.6
136.07683	10.4
137.08037	0.7
147.63338	0.4
148.04083	0.5
150.05615	2.4
161.02438	0.6
164.03532	1.9
180.76370	0.4
181.03806	0.6
181.57968	0.4
185.07193	2.5
185.11859	1.0
196.07713	1.7
197.07185	0.6
198.04353	1.6
198.07980	0.5
199.13387	0.6
200.07143	0.5
200.10867	0.7
210.09303	0.5
212.10925	1.1
225.06699	2.0
226.07475	1.6
227.08238	8.2
227.11914	1.2
229.09918	0.7
230.11908	0.6
237.10315	1.5
239.08240	3.6
240.09015	5.7
243.11317	5.5
255.11395	29.0
256.11700	3.0
272.08029	1.1
273.12448	100.0
274.12735	9.7
317.11462	10.4
317.19562	1.2
318.11731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1031
Annotation	Bryaflavan
Peak:m/z	Relative Intensity
59.01375	0.9
60.02076	0.6
62.66215	0.6
65.03977	1.0
66.98874	0.6
71.03590	0.5
71.62076	0.9
71.62714	0.6
74.16753	0.6
83.60038	0.7
108.02155	1.7
109.02955	3.3
110.00079	0.9
111.00919	3.1
123.00872	2.9
124.01663	9.0
133.02925	0.7
134.03627	0.8
136.01646	2.3
137.02441	100.0
138.02725	4.2
139.04022	4.2
149.02440	9.8
150.03223	65.0
151.04010	7.5
152.04359	0.6
161.02457	0.9
162.03201	1.7
163.04018	10.0
164.04451	0.8
165.05566	18.2
166.05855	0.7
177.05577	1.1
191.03467	0.7
211.13373	0.7
215.07112	2.5
230.11958	1.0
241.05060	1.4
259.06149	0.7
269.04440	1.8
270.05222	1.8
272.03455	1.6
285.07730	1.1
287.05615	6.0
302.07947	56.7
303.08279	6.6
317.10284	54.3
318.10611	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	317.1031
Annotation	8-Demethylduartin
Peak:m/z	Relative Intensity
57.85027	0.3
58.00232	0.3
58.11791	0.3
69.36608	1.6
69.37029	1.1
85.92196	0.3
95.01402	0.3
98.19821	0.7
106.06628	3.3
109.02956	0.9
119.97079	0.3
121.02890	0.3
123.00886	1.7
124.01662	7.8
125.02460	0.9
135.04517	0.5
136.00665	0.6
136.01662	5.4
137.02469	4.2
138.05597	0.4
139.04015	7.8
140.07166	0.6
142.41095	0.3
145.02942	0.4
149.02437	4.7
150.03226	100.0
151.03519	4.1
152.03528	1.1
161.02374	0.4
163.03978	0.8
165.05566	76.6
166.05957	3.8
167.05876	2.7
175.03978	0.6
201.07864	0.5
213.05527	0.4
220.03847	0.4
230.11803	0.9
241.05107	1.1
247.09669	0.4
255.11389	1.7
269.04541	1.5
270.05389	2.0
270.07846	0.4
272.03378	0.5
273.12473	1.7
285.07697	2.2
287.05600	4.1
302.07944	4.2
317.10284	28.7
318.10629	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84158	1.4
59.01375	1.8
62.95900	1.2
71.61468	2.0
79.05527	5.3
83.05032	2.0
119.08649	11.8
121.06602	1.8
131.08675	5.5
137.09747	3.3
168.73228	1.6
237.16487	2.3
253.19714	7.7
271.02490	3.3
271.20642	16.5
272.21005	2.1
300.02786	9.6
301.07166	2.2
314.98123	2.1
315.05090	5.0
315.19638	100.0
315.25546	4.6
316.20041	11.3
334.86707	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.3
59.01369	0.5
63.96238	0.7
69.03470	0.5
70.27599	0.8
71.01382	6.4
72.00902	0.8
73.02943	1.5
74.02478	1.0
78.95908	0.4
78.98589	4.6
79.95734	6.2
80.96515	49.2
81.03460	0.6
83.01395	0.4
85.02953	2.3
87.00886	1.4
89.03557	0.5
94.98081	10.8
96.95995	1.1
97.02953	1.3
99.00869	0.5
99.14567	0.4
100.04024	0.8
101.02438	2.0
106.98084	2.6
113.02482	0.3
122.96815	0.3
122.97550	1.7
123.00970	0.3
125.02439	1.9
127.04012	0.8
134.97594	4.1
136.99138	0.6
138.93707	0.4
140.11221	0.3
148.99123	4.4
152.98637	6.0
161.93524	0.5
164.98613	9.0
172.01038	0.6
197.00539	1.2
206.99638	1.9
210.57520	0.4
218.89629	0.4
225.00719	14.1
226.01086	0.5
228.09813	0.6
238.11945	0.5
243.09808	0.7
282.11090	0.7
299.36063	0.3
300.11929	2.2
317.05444	100.0
318.05765	5.8
318.13181	0.5
335.14377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43177	0.7
56.93098	0.8
58.00594	4.4
59.01379	100.0
60.01715	1.3
71.01359	1.0
72.99306	6.3
87.00874	40.1
98.20567	2.0
103.00371	58.4
112.98812	3.3
130.99863	27.6
131.00856	1.0
145.49406	0.9
149.00897	1.7
155.93706	0.9
183.10237	13.6
184.10583	1.3
215.67096	1.1
229.19995	1.0
235.53578	0.9
241.14444	2.5
281.88956	0.9
300.02759	1.2
315.10779	3.7
315.14142	1.3
315.17990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	3.9
59.01380	100.0
60.01709	1.5
64.42722	0.8
69.03449	1.5
69.46691	0.8
69.47258	6.5
69.47559	1.0
72.99305	4.8
79.55839	1.0
87.00874	40.9
88.39297	0.7
98.19860	1.9
103.00378	50.0
112.98823	2.4
130.99867	24.6
139.11253	2.3
146.62772	0.8
183.10300	6.9
188.03410	1.0
315.10950	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1087
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
51.48010	1.1
55.01866	1.9
57.03445	2.1
58.00594	2.9
59.01380	100.0
60.01687	1.6
69.03430	1.6
70.74362	2.8
71.01384	61.5
72.99303	6.5
73.02925	4.2
74.02460	2.6
83.01378	5.9
85.02956	15.6
87.00874	12.1
89.02446	62.3
95.01357	4.7
96.04530	3.4
98.02427	2.8
99.00867	3.7
100.03992	1.3
101.01764	2.1
101.02441	36.8
109.02864	1.9
112.04050	2.9
113.01701	2.0
113.02444	32.4
118.98091	3.8
119.03495	23.6
120.01219	1.7
120.03902	1.3
120.99567	1.2
121.02910	3.8
122.02453	2.0
122.03741	7.1
128.03551	2.1
130.08740	15.7
131.03423	1.6
135.04492	2.6
137.02458	7.9
137.06085	6.8
138.03229	20.6
139.05081	1.6
143.03474	3.2
143.10974	1.3
143.11914	13.7
153.01875	2.8
153.05577	35.7
154.02766	1.5
154.05933	1.6
161.04500	4.1
166.01389	3.7
179.03487	14.6
179.05571	5.9
180.04305	11.0
183.04008	1.3
187.10826	2.0
192.04341	1.4
194.05812	14.2
195.06598	18.7
209.08212	9.5
209.12871	5.3
225.12404	1.9
227.09312	5.9
253.12016	9.1
255.08652	3.1
269.11432	7.9
271.13077	1.2
297.10791	4.8
315.10843	78.6
315.15390	3.8
316.11407	6.6
316.15164	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1086
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
59.01376	1.2
61.34675	0.4
65.03976	3.1
67.01891	1.4
70.08875	0.9
70.09263	1.0
71.01396	1.8
73.04054	0.4
83.01407	0.5
85.02928	0.8
87.00880	1.1
88.04106	0.4
88.31788	0.4
93.03451	0.7
93.53503	0.4
95.05056	0.7
96.25461	0.4
98.20622	0.5
99.91930	0.4
101.02460	0.7
109.02954	44.2
110.03297	1.5
111.00869	0.5
113.02513	0.6
114.05549	0.4
122.03722	0.8
123.04527	71.2
124.04863	2.5
125.02383	0.5
130.08746	1.4
135.00865	2.4
135.04521	1.2
137.02406	0.8
138.03238	0.7
138.05618	1.0
139.05956	0.6
143.11876	0.8
151.00389	0.7
153.01958	28.9
153.05573	100.0
154.02272	1.1
154.05946	3.6
169.01346	0.8
179.03534	0.7
194.05875	0.4
209.08258	0.5
253.11981	0.6
271.10818	0.6
315.07208	12.1
315.10928	2.7
316.07672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
58.00594	0.3
59.01380	2.4
69.03465	2.6
69.74276	1.8
71.01372	1.0
71.05030	2.2
83.05036	0.5
89.02461	1.0
91.04018	1.4
97.06581	0.4
108.02142	0.6
123.08143	0.9
125.09742	1.8
126.55446	0.3
137.09691	0.5
151.11301	2.0
153.12868	1.9
161.09697	3.4
178.38524	0.4
179.10767	14.7
180.11122	0.9
197.11829	100.0
198.12164	5.4
223.09726	1.5
227.03572	0.4
241.10829	15.5
242.11150	1.1
243.02988	1.4
255.02853	2.3
271.02472	5.6
271.10556	0.5
272.02902	0.6
300.02716	7.7
315.05060	4.8
315.14478	40.9
316.05515	0.7
316.14893	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	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.31243	0.3
59.01378	1.3
65.03967	6.6
67.01891	2.6
69.24635	0.3
71.01385	2.8
72.28195	0.3
73.02937	0.8
85.02947	1.3
87.00889	0.5
87.44319	0.3
89.02419	0.4
98.19851	1.0
101.02443	1.3
108.02171	0.4
109.02956	100.0
110.03314	3.3
113.02473	0.8
123.04561	0.5
130.08736	0.6
135.00906	4.2
135.04509	1.3
138.03242	0.9
143.11926	0.6
153.01941	65.5
153.05478	3.9
154.02248	1.9
161.04575	1.2
167.03502	0.7
271.10898	0.4
300.02652	0.3
315.07224	22.1
316.07571	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0874
Annotation	Mucroquinone
Peak:m/z	Relative Intensity
57.54237	0.8
59.01363	1.2
69.32345	9.1
71.01369	0.9
74.84085	0.8
83.52760	0.9
87.30463	0.9
89.27984	0.8
91.75162	0.8
93.03470	1.1
95.01387	1.3
107.05031	1.7
107.06883	0.9
108.02167	1.2
109.02961	4.7
119.01388	2.4
123.00906	5.3
124.01661	3.2
133.02942	2.8
134.03751	9.0
135.04512	10.6
135.08057	0.9
136.01656	1.5
137.02451	18.8
138.02802	1.0
142.08725	1.9
147.00879	17.9
148.01672	12.0
149.02332	1.6
149.99593	2.2
150.03151	0.8
150.70615	0.9
151.00386	3.0
151.03958	1.8
152.01112	1.3
159.04527	1.0
161.02472	2.9
162.03189	1.8
163.00137	1.0
163.04030	1.9
169.01357	1.3
173.06033	1.9
175.00311	1.5
176.01151	1.7
177.01918	4.1
178.02713	1.1
178.06096	0.9
183.04625	1.2
185.06058	7.4
187.03935	2.0
195.04497	1.1
197.06070	2.0
198.03212	2.3
199.03900	1.5
200.04684	1.3
201.03923	1.3
201.05533	7.0
211.04027	3.7
212.04819	1.9
213.05518	9.7
214.02687	2.7
215.03424	2.9
216.07932	1.0
224.04860	1.3
225.05550	1.6
226.02756	1.6
226.06114	1.1
227.17516	1.1
228.04192	1.7
229.05037	13.0
232.46698	1.0
238.06087	1.5
239.03494	5.7
240.04309	4.6
241.05051	15.8
242.02132	2.0
242.05460	1.9
243.02960	1.5
243.06644	2.4
243.17284	1.4
253.04979	2.0
253.19571	1.2
255.02954	2.5
255.06793	1.4
256.03741	5.9
257.04541	19.7
258.04971	1.8
265.05011	1.4
267.02960	4.2
268.03763	2.6
269.04520	2.6
270.01782	4.6
271.02432	3.6
271.06100	10.7
272.06784	1.1
282.05267	3.1
283.06027	3.3
284.03256	4.7
285.04059	40.5
286.04294	3.4
293.95493	1.3
297.18591	1.8
299.05515	7.5
300.02863	6.6
300.06354	100.0
301.06644	8.0
315.05237	3.4
315.08743	78.6
315.12189	5.0
315.19501	3.3
315.25388	14.5
316.09174	9.2
316.12616	1.7
316.16281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0877
Annotation	Mucroquinone
Peak:m/z	Relative Intensity
59.01450	1.4
63.06335	0.5
65.36803	0.6
69.58199	2.9
69.58619	1.4
73.19968	0.7
78.82691	0.6
83.05096	0.8
89.04074	1.2
98.19930	1.3
103.29765	0.6
103.48090	0.6
110.00197	0.6
111.00964	1.3
123.00982	1.2
133.03049	1.1
134.03844	2.4
135.00934	0.6
135.04639	2.2
136.01770	0.7
137.02533	1.0
141.07173	1.1
148.01730	0.9
149.02467	3.8
157.06697	0.9
161.02455	11.9
162.02995	0.6
167.05099	1.5
169.06737	1.8
173.06200	1.1
183.04616	1.4
185.06087	3.5
187.04037	3.6
189.05528	7.5
189.09251	0.7
195.04555	3.3
196.05394	0.9
198.03247	1.2
199.04086	1.8
201.05641	2.8
211.04012	3.4
212.04787	2.0
213.05577	12.7
214.02731	1.8
214.05901	0.7
214.86874	0.6
215.03557	2.4
223.04123	2.6
227.03577	1.3
229.05063	4.3
229.93613	0.6
239.03473	6.5
240.04155	1.0
241.05156	3.3
242.02219	1.7
243.03084	1.9
255.03050	3.0
256.03769	1.3
257.04559	15.5
257.07037	1.1
258.04974	1.0
262.81009	0.6
267.02945	5.2
268.03622	1.3
270.01730	2.8
271.02454	3.5
271.05698	0.5
272.03345	0.9
284.03183	1.3
285.04044	100.0
286.04324	8.2
299.05505	2.7
300.02829	7.0
300.06348	85.9
301.06601	8.1
315.05078	4.2
315.08704	37.5
315.12265	2.3
315.16083	1.2
315.22137	1.3
316.05640	0.7
316.09021	3.3
316.12894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.4
58.00601	2.8
59.01366	0.8
59.11857	0.3
59.46652	0.3
63.18413	0.3
71.01366	0.3
97.06587	1.0
98.19839	0.9
99.08156	19.2
100.08498	0.7
101.09715	0.5
104.67119	0.3
111.08146	0.9
113.09726	0.5
117.49548	0.3
121.02941	0.5
125.09708	0.3
127.07642	3.5
129.09221	21.7
130.09552	1.0
145.08792	0.3
171.10217	0.6
181.06564	0.4
183.13896	38.8
184.14247	2.6
195.13948	3.6
197.11934	0.4
198.12088	0.3
199.12386	0.4
201.11308	3.7
210.64088	0.3
211.13359	0.5
212.13727	0.9
213.14009	1.1
221.14720	0.3
229.14510	0.4
229.62990	0.4
277.21753	3.2
295.22739	9.2
296.23203	0.6
311.22314	0.4
313.23813	100.0
314.24155	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	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25678	1.6
51.82291	1.4
55.16305	1.2
58.00584	1.8
59.01389	2.7
63.48475	1.4
70.58776	1.4
83.05061	2.0
121.02972	3.3
125.09749	5.3
127.11314	7.5
134.60791	1.6
137.09720	2.0
139.11301	2.2
148.40724	1.4
155.10858	3.2
165.09338	2.7
171.10271	6.0
199.09695	2.8
201.11333	48.1
202.11687	2.2
213.14197	1.7
229.22386	1.4
277.21756	4.9
291.24817	1.7
295.22598	6.4
298.04675	2.1
313.03690	1.8
313.07370	1.5
313.23843	100.0
314.24231	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	313.2383
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
51.54238	1.3
59.01363	1.8
60.20741	1.4
71.76270	1.4
98.19817	2.3
112.97765	1.4
184.01413	2.2
185.00671	16.3
191.80241	1.3
251.23796	60.1
252.24121	7.3
295.22809	22.8
296.23270	2.8
313.16733	38.2
313.23856	100.0
314.16840	4.3
314.24142	10.4
323.01257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	27.3
59.03010	3.1
60.01741	4.2
61.98834	33.9
65.03968	5.2
69.48976	17.0
69.49385	6.3
71.01393	14.2
72.99303	4.6
73.02949	4.3
85.02953	7.1
87.00874	9.4
88.04031	6.5
89.02449	7.1
93.03463	5.8
98.19888	4.9
101.02434	5.1
108.02190	38.3
108.04562	4.6
109.02962	86.0
113.02456	5.4
114.01989	5.1
119.05021	3.3
121.02960	9.7
122.03327	8.1
123.04524	17.3
130.08705	3.7
133.06549	11.4
134.03728	4.6
135.00906	8.3
135.04527	17.9
136.04857	4.2
137.02501	3.2
137.03494	2.9
137.04858	4.4
138.05589	10.5
141.29402	3.0
143.68256	2.8
149.00873	4.1
151.01328	4.7
151.04018	4.4
152.01115	19.5
152.03505	3.7
153.01942	100.0
153.05582	24.4
155.12109	3.3
161.04381	2.8
165.05565	7.2
175.07672	5.5
178.08771	3.0
179.03545	5.9
179.06992	2.7
180.03914	3.3
182.05487	7.0
194.99176	3.8
195.02985	3.8
200.14063	5.7
223.06105	4.6
224.06445	11.0
265.56702	3.2
314.08920	7.3
314.13913	5.6
315.07269	49.8
315.10815	8.8
315.16666	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.4
59.01379	20.2
60.99305	1.3
65.21258	0.8
70.07193	3.6
72.00908	3.3
72.04532	1.8
72.99297	1.3
74.02475	100.0
84.04532	1.9
86.02456	1.6
87.00875	8.7
92.40851	0.8
96.35233	0.8
97.06594	2.1
103.00375	12.8
104.03537	21.2
111.08143	1.3
129.32912	0.8
130.99895	4.7
163.11266	1.0
165.12865	8.2
179.60883	0.8
181.16068	2.0
183.13899	2.2
194.15456	2.3
196.59805	0.8
208.17068	68.0
209.11772	1.2
209.17407	5.6
218.20529	0.8
222.13008	1.5
222.14999	18.8
223.15352	1.8
227.12897	4.6
234.15004	3.0
240.16064	6.7
243.02930	1.0
252.16040	18.4
252.18246	0.7
253.16295	1.4
255.02962	2.5
261.79886	0.8
266.13953	11.4
270.17056	1.8
271.02505	7.2
278.13940	2.0
284.15033	17.4
285.15482	1.3
296.15015	5.5
300.02722	13.0
314.16086	78.0
315.05127	5.6
315.16312	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	314.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51996	0.9
53.07489	0.9
57.03449	1.6
59.01096	1.4
59.01380	23.7
60.99306	1.4
69.03459	1.6
70.06201	3.2
72.00897	3.4
72.04538	2.9
72.99317	1.7
74.02475	100.0
75.02829	1.5
84.04555	2.1
86.02502	1.8
87.00873	10.8
95.05003	1.3
97.06577	1.7
103.00391	12.4
104.03532	17.3
107.01520	0.9
111.08128	1.5
130.99841	6.5
156.29584	0.9
165.11606	1.3
165.12822	8.5
181.15996	3.5
183.10239	1.5
183.13904	2.5
194.15479	1.9
208.17059	68.8
209.17403	5.4
222.14963	17.1
223.15297	2.1
227.12852	3.8
234.14958	3.0
240.16032	7.9
243.03050	2.0
252.16035	20.0
253.16432	1.2
255.02963	3.5
266.14017	9.0
270.17062	2.2
271.02524	9.0
278.14011	1.8
284.15018	16.5
296.15057	7.1
300.02734	14.2
314.16080	83.2
315.05219	5.8
315.16354	6.2
338.32962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0511
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
59.01381	0.9
65.00317	0.3
65.88784	0.2
69.54251	1.1
87.00892	0.3
103.00380	0.5
104.46259	0.2
104.87138	0.2
107.01386	0.7
108.02172	2.0
110.04913	0.2
120.02171	0.3
124.01656	0.5
135.00890	1.0
135.04533	0.3
148.01672	2.6
148.51721	0.2
151.00418	1.3
152.01146	0.2
153.01849	0.2
163.00374	1.0
164.01180	1.0
171.04459	0.2
172.05374	0.2
173.56737	0.2
187.03984	0.4
190.99854	0.3
192.00604	0.7
198.03104	0.2
199.04047	1.1
201.02031	0.3
203.03586	0.3
211.03983	0.6
215.03523	0.7
216.04283	0.7
226.02667	1.5
227.03474	3.2
228.03923	0.3
243.02971	12.5
244.03574	1.3
254.02228	1.9
255.02982	27.9
256.03329	2.4
256.05737	0.3
271.02466	61.7
271.99844	0.2
272.02890	7.0
299.01959	1.8
300.02734	100.0
301.03082	9.1
315.05096	49.3
316.05405	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	313.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03455	0.6
54.86877	0.8
58.00584	2.9
59.01370	1.9
67.38490	0.8
70.99574	1.5
77.14346	0.6
97.06610	0.9
99.08160	21.8
100.08484	1.0
121.02950	1.3
127.04006	0.7
127.07628	4.5
129.08279	1.3
129.09227	20.5
141.56081	0.7
147.02135	0.8
151.04037	0.9
151.85486	0.7
159.12575	0.7
183.13902	36.4
184.14233	2.1
195.13905	4.7
207.09961	1.4
213.14967	1.0
224.58632	0.6
253.21490	0.7
277.21741	4.6
295.22748	10.3
296.23077	1.6
311.22064	1.1
312.89084	0.8
313.17804	4.9
313.23837	100.0
314.24203	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	313.0718
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
57.29763	0.4
59.01370	1.2
60.60659	0.5
61.42214	0.4
65.00309	0.5
69.30463	3.4
69.30869	0.8
76.29701	0.4
94.07407	0.4
94.17362	0.4
99.04531	0.4
118.31631	0.4
121.02969	0.4
123.00939	0.5
136.55458	0.4
139.05455	0.6
143.05060	0.5
159.04515	0.7
161.02451	0.5
167.05022	4.4
169.02968	1.9
179.03514	0.5
183.04485	3.5
185.02425	0.9
187.03992	1.9
195.04535	1.4
199.03914	0.6
202.06352	1.4
211.03999	57.2
212.04318	5.0
213.01892	1.8
215.03506	1.9
225.05528	0.7
226.06357	43.4
227.03535	2.5
227.06659	3.6
228.04236	0.9
238.39624	0.4
239.03477	5.4
240.03683	0.5
241.01341	0.6
253.05078	0.6
254.02042	0.6
254.05849	2.0
255.02988	13.7
255.05731	0.8
256.03336	1.5
270.05350	9.3
271.05664	0.6
283.02478	21.7
284.02826	1.8
298.04819	54.1
299.05191	4.4
313.07166	100.0
314.07529	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	313.093
Annotation	Pungenin
Peak:m/z	Relative Intensity
54.26458	0.9
55.01875	2.2
57.03447	1.8
57.21146	0.8
58.00564	0.9
59.01093	1.6
59.01381	23.2
61.98824	0.9
62.73181	0.9
65.78912	0.8
67.01891	1.0
69.29925	0.9
70.09275	2.1
70.09670	1.9
71.01382	24.3
72.99313	2.4
73.02951	7.4
75.00864	5.0
82.52665	0.9
83.01385	2.9
85.02953	9.3
87.00864	4.7
89.02440	4.7
93.03459	40.4
94.03809	1.0
95.01409	1.4
95.05006	1.3
98.20555	1.2
99.00893	2.8
101.02447	14.2
107.05020	9.6
108.02178	6.0
109.02952	3.2
112.52689	0.9
113.02462	8.9
119.03487	1.3
119.05004	1.7
121.02941	7.9
123.04536	11.5
125.02447	1.1
125.28387	1.1
129.01941	2.4
131.68756	1.0
133.02936	3.2
134.03685	1.2
135.04533	8.6
136.04846	2.3
137.02376	1.6
137.05106	1.0
138.05563	1.0
149.01147	1.7
149.02429	16.4
149.06090	9.5
150.01299	1.5
150.03091	1.5
151.01405	2.8
151.04007	74.1
152.04346	3.6
159.03001	1.8
161.04538	5.9
163.03973	1.6
179.03441	2.0
181.05167	1.2
189.05589	1.0
191.06102	0.9
269.10291	1.4
313.09277	100.0
314.09677	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	313.0718
Annotation	Onogenin
Peak:m/z	Relative Intensity
54.68743	0.2
59.01374	0.3
61.82292	0.2
62.64132	0.2
70.77392	0.4
70.77743	0.3
89.23981	0.2
93.03438	0.2
98.93046	0.2
112.97816	0.2
120.25067	0.2
121.02954	100.0
122.03293	4.1
180.05791	1.1
181.06583	4.7
182.06900	0.5
183.96709	0.2
217.00185	0.2
225.05562	7.3
225.07780	0.4
225.91701	0.2
226.05852	0.6
269.08191	0.3
313.07159	14.3
313.23392	0.4
314.07626	1.4
324.60822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0719
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
50.96098	0.4
50.98162	0.4
59.01378	1.5
60.95864	0.4
62.36625	0.4
69.41297	4.0
79.83397	0.4
121.02937	0.5
135.04524	0.8
147.00923	1.5
148.01628	1.3
151.04054	0.5
155.04994	1.0
157.03023	0.7
159.04550	0.9
165.97238	0.5
171.04512	5.6
175.00394	2.2
179.03607	0.5
182.03699	0.6
183.04517	6.3
185.02417	0.9
195.04622	0.6
197.02501	0.5
198.03168	0.5
199.04005	8.9
200.04358	0.6
201.05554	0.6
210.03197	0.9
211.03998	12.9
212.04401	1.0
226.02730	1.3
227.03505	23.3
228.03819	1.4
230.13394	0.6
238.02620	0.7
239.03465	4.6
240.04100	0.5
254.02203	2.1
255.02989	56.4
256.03348	4.3
266.02271	0.6
269.04590	1.6
270.05350	5.8
282.01736	1.1
283.02490	50.1
284.02832	4.5
298.04825	100.0
299.01984	0.8
299.05161	8.4
313.07178	88.1
314.07513	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03439	2.6
59.01371	1.7
69.81187	0.8
70.93007	2.4
83.05051	1.0
97.02971	1.1
99.08173	2.3
113.09704	2.5
129.09227	7.3
139.11293	3.6
149.59207	0.9
151.11290	1.0
163.11244	1.5
169.12352	2.8
171.10249	9.2
181.12326	4.2
183.13867	1.3
189.58958	0.9
191.46138	1.0
193.12352	4.7
197.11865	10.3
199.13438	3.7
211.13414	18.5
212.13629	1.1
275.20114	1.6
293.21240	23.8
294.21658	2.1
311.22302	100.0
312.22638	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	311.2227
Annotation	9,10-12,13-Diepoxyoctadecanoate
Peak:m/z	Relative Intensity
57.03437	1.4
59.01384	1.3
69.29780	11.2
99.08104	2.1
111.08083	1.1
113.09723	3.9
125.09702	1.2
127.11301	2.8
129.09210	7.4
138.56317	0.9
139.11308	5.7
143.66287	1.1
151.11241	1.2
153.12869	1.6
155.10698	1.2
167.24818	1.0
169.12282	2.9
171.10255	21.2
172.10602	1.4
172.75252	1.0
181.12354	5.8
183.10155	3.0
183.13910	1.4
185.11809	2.3
185.55090	1.0
193.12328	1.8
197.11797	9.5
198.12155	1.3
199.13454	5.1
201.11333	4.7
211.13393	20.3
212.13847	1.0
275.20187	2.8
293.21170	17.6
294.21600	1.7
311.22269	100.0
312.22586	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.4
58.00594	0.9
59.01366	0.7
66.44875	0.6
68.00480	0.6
70.04713	2.1
73.02956	1.0
77.42216	0.6
85.02959	3.4
87.04514	19.8
106.49307	0.6
115.07208	0.7
223.17033	48.3
224.17386	2.8
235.17027	3.8
236.17310	0.9
253.18153	0.9
275.20215	4.7
293.21225	8.3
294.21426	0.9
311.22275	100.0
312.22592	11.1
324.89581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01798	0.3
57.03188	0.6
57.03448	7.9
58.00583	1.0
59.01368	1.3
61.74007	0.3
62.15206	0.3
69.03436	0.6
69.34863	2.9
71.01358	0.4
71.05010	1.0
85.02946	2.8
87.04512	18.2
96.60131	0.3
97.06586	0.3
101.06091	0.5
111.08172	0.9
112.08482	0.9
135.04512	0.9
149.00894	1.0
171.10175	0.5
179.03601	0.5
197.11845	1.1
198.12167	2.2
199.12315	1.7
205.15933	0.6
211.13354	0.5
212.13823	0.3
213.13963	0.6
221.15430	0.4
223.17026	47.0
224.17400	3.9
235.17029	4.7
236.17337	0.5
253.18100	0.9
275.20145	4.5
276.20413	0.6
287.80200	0.3
293.21149	9.3
294.21606	1.0
309.20657	0.8
311.22269	100.0
312.22620	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.05502	0.6
56.18688	0.6
59.01374	2.6
61.68038	0.5
65.82715	0.6
70.60101	1.8
83.05059	0.6
87.00887	1.4
87.18245	0.6
98.20629	0.7
99.08166	0.9
107.36852	0.6
113.09734	1.3
115.07638	0.9
129.09219	1.2
134.03726	0.6
135.04506	3.2
139.11285	1.1
149.00914	5.8
167.14383	3.2
171.10312	2.8
177.12871	0.8
179.03513	3.5
183.01215	1.1
183.13908	2.4
195.13881	10.4
201.11395	0.8
210.12268	0.8
211.13393	2.1
213.14986	0.9
216.74353	0.6
241.14359	0.7
265.21573	1.1
275.20172	0.8
293.21188	8.8
295.74966	0.6
297.66928	0.6
311.22272	100.0
312.17297	0.7
312.22641	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42108	0.9
52.68218	0.8
57.03464	1.7
58.00591	7.5
59.01361	1.5
69.57247	5.5
73.02937	1.2
82.45870	0.8
87.73062	0.8
109.06618	2.1
121.10205	1.3
125.09715	3.8
127.07672	6.7
127.11285	5.8
128.28389	0.9
135.04538	1.8
137.09705	1.7
139.11299	1.3
140.78741	1.0
149.00920	2.2
155.10736	1.3
165.09213	2.4
171.10275	9.3
183.13895	17.1
184.14212	1.1
197.11794	1.3
198.12193	1.8
199.09846	1.2
199.12354	1.2
201.11330	46.7
202.11745	3.1
208.86328	1.0
211.13382	2.1
213.14967	4.9
215.23560	0.9
241.14445	4.1
275.20129	5.3
293.21268	7.6
311.22281	100.0
312.22675	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	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03442	2.1
58.00582	1.1
59.01377	6.1
60.07790	0.9
68.70860	0.9
70.48896	0.8
71.01395	1.0
71.60715	1.6
81.63891	0.9
87.00896	2.0
97.02924	1.1
98.42836	0.8
99.08136	1.4
111.08161	1.8
113.09711	3.9
118.88068	1.0
121.10147	1.2
121.36005	0.9
125.09757	1.2
127.11278	1.2
129.09222	3.5
135.04517	7.7
139.11281	9.1
149.00916	10.1
151.11240	1.0
155.10751	1.0
165.12781	0.9
171.10254	14.6
172.10670	0.9
179.03490	8.3
181.12370	3.1
183.01207	1.7
183.13910	2.6
185.11784	1.7
193.12358	1.8
197.11823	4.4
198.12152	1.9
199.13409	2.6
201.11322	0.9
211.13405	13.8
221.15529	1.8
223.16972	1.1
239.16589	1.6
249.22270	1.3
251.11371	1.3
286.47852	0.9
293.21225	21.4
294.21561	1.8
296.06854	1.3
311.16592	3.0
311.22266	100.0
311.29706	3.3
312.22519	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0926
Annotation	R1128B
Peak:m/z	Relative Intensity
53.86958	0.5
59.01383	4.2
59.85513	0.5
69.53760	4.0
71.01385	0.9
72.99306	1.8
83.36127	0.6
87.00884	3.4
93.03458	31.0
94.03804	0.9
94.62778	0.5
96.96020	1.3
96.99320	9.9
103.00408	0.8
115.05547	8.4
117.03489	2.9
119.04225	1.1
119.05032	17.4
120.05375	0.9
123.04514	2.2
130.04250	1.4
131.05022	5.0
133.02982	4.2
134.03795	1.1
135.04535	10.8
136.04895	0.8
137.02367	1.1
143.05038	17.4
144.05334	0.9
145.02960	2.9
145.06580	0.8
147.04539	6.4
149.00928	13.5
158.03741	1.4
163.04025	11.0
163.73732	0.6
164.21162	0.6
171.04453	0.9
172.96603	0.5
173.15210	0.5
179.03506	9.3
195.08182	5.6
205.10184	0.6
207.08002	1.0
219.08115	4.9
220.08563	0.7
221.09706	6.3
222.09929	0.6
223.11252	1.7
229.14516	0.5
240.93248	0.6
248.08406	0.9
249.09189	32.1
250.09584	2.6
250.42519	0.5
267.10461	0.9
293.08194	9.2
296.52209	0.7
311.09244	100.0
312.09573	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	311.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09591	2.4
57.45979	2.6
58.00579	5.4
59.01378	94.4
65.12262	2.2
69.35567	10.7
69.36006	10.1
71.01381	36.2
72.99326	11.9
73.02966	11.4
75.00872	8.4
85.02960	4.4
87.00873	40.1
89.02444	52.6
96.96012	3.4
97.06614	3.0
98.20716	4.0
99.00880	26.9
101.02437	29.7
103.00383	7.4
105.00711	2.3
105.01942	12.1
109.02955	5.1
113.02454	8.2
119.05031	37.4
120.05379	3.5
130.99883	3.3
131.03528	12.6
131.19234	2.2
134.03741	43.6
135.04524	99.2
136.01671	31.4
136.04826	6.8
136.07616	2.7
137.02406	7.3
141.45175	2.2
147.03014	4.7
149.00923	100.0
149.02237	4.5
149.04573	23.1
149.05772	4.0
161.04543	2.8
163.03998	38.9
165.04051	55.8
166.00821	2.7
176.47656	2.3
179.01923	4.3
179.03485	78.7
179.06947	3.4
180.03769	5.4
191.05576	10.4
201.27321	2.1
205.08658	3.9
215.96640	2.3
231.10207	14.4
233.08173	9.7
249.11249	3.2
290.11365	2.6
291.07996	2.6
293.10156	5.7
311.11307	11.9
311.29605	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	311.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
59.01381	100.0
60.01717	1.4
60.69145	0.6
63.80764	0.7
66.91824	0.6
69.47368	5.0
71.01396	5.3
72.99310	7.3
73.02951	2.8
83.01390	1.3
85.02965	2.4
87.00884	6.3
97.06622	1.4
99.00863	0.9
101.02457	4.4
101.13333	0.6
103.00386	2.2
107.05043	0.9
108.02200	2.4
109.02959	15.6
113.02486	1.8
119.05042	0.8
121.03001	1.0
123.04540	1.7
127.28391	0.6
128.11011	0.8
130.99927	0.7
133.03084	0.7
134.03754	30.2
135.04546	27.6
135.05600	0.7
136.01675	13.9
136.04913	1.3
137.02481	7.7
145.03044	0.7
148.99731	1.2
149.00922	21.0
151.00452	1.0
151.04010	13.5
154.41788	0.7
155.28955	0.6
161.04611	3.5
167.03552	1.7
178.01051	1.2
178.02777	1.7
179.03528	14.2
179.05113	0.7
180.03833	0.8
190.01060	1.4
195.02997	3.7
205.03333	1.6
231.10251	3.5
233.08203	2.8
267.03333	0.8
267.10269	0.7
269.10370	2.2
281.09589	1.0
287.05606	0.8
293.10327	4.3
311.11328	6.9
323.33487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2017
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01373	0.4
70.64063	0.5
79.95751	0.4
87.00838	0.3
96.67589	0.2
98.95574	0.4
104.71895	0.2
119.05029	0.3
133.06599	2.3
135.04506	0.6
138.13129	0.2
146.87250	0.2
149.00906	1.3
149.09718	100.0
150.10059	5.5
178.44597	0.2
179.03517	0.9
183.01202	9.6
184.01997	0.9
216.00902	0.6
249.22334	0.5
311.16843	19.1
311.20209	55.3
312.17126	2.1
312.20541	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	311.0409
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
52.97816	0.8
59.01380	13.0
64.23333	0.9
64.72980	1.0
70.22542	0.9
70.72167	2.2
72.99305	10.1
76.20513	0.9
87.00875	23.2
103.00375	6.8
105.01925	1.9
107.04969	1.2
130.99841	2.2
131.40646	1.0
134.03725	5.1
135.04527	72.8
136.04843	2.5
149.00917	100.0
150.01280	2.0
179.03497	74.4
180.03850	2.9
189.05486	1.6
295.43701	1.0
307.02255	1.0
318.77682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0408
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
59.01383	17.8
61.47633	1.1
62.20537	1.2
69.31570	1.4
71.10164	2.4
72.99304	10.5
87.00882	28.7
100.41830	1.2
103.00375	8.7
105.01917	2.1
107.05017	2.5
130.99905	2.7
134.03745	5.4
135.04530	100.0
136.04863	3.9
145.64618	1.1
149.00926	95.9
150.01303	2.0
150.61382	1.1
179.03499	88.1
180.03873	5.2
195.10992	1.4
221.04733	1.2
235.09624	1.1
306.78439	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0409
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
59.01382	15.8
60.01745	0.3
69.38766	1.8
69.39176	0.6
70.64256	0.4
72.99310	10.5
75.00887	0.7
79.95742	0.3
87.00876	24.3
89.03938	0.3
91.05524	0.4
98.58496	0.2
103.00368	7.1
105.01939	2.2
107.05015	1.4
108.02189	0.3
109.02962	3.5
117.03489	0.5
119.05091	0.3
121.89607	0.3
123.04514	0.6
130.99872	3.1
133.02940	0.5
134.03743	10.6
135.04527	80.1
136.01662	1.6
136.04874	3.1
137.02452	1.9
145.02995	0.4
149.00916	100.0
150.01280	2.1
151.03995	2.6
161.02473	0.5
178.02687	0.6
179.03496	73.0
180.03845	3.7
191.77013	0.3
195.02997	0.7
221.04753	0.3
228.17694	0.3
233.08197	0.4
293.10233	0.9
311.04153	0.5
311.11646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0408
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
56.28320	0.8
59.01376	11.3
65.22539	0.7
71.36842	1.1
72.61271	0.8
72.99307	8.8
82.40235	0.8
87.00877	21.8
103.00370	6.1
105.01916	0.9
107.05019	1.7
130.99904	1.7
134.03722	4.8
135.04521	59.2
136.04840	2.3
144.05437	0.8
149.00914	100.0
150.01270	2.2
179.03496	56.8
180.03819	2.6
189.05548	1.2
300.15509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
59.01379	48.1
60.99292	1.0
69.59001	2.6
69.59431	2.6
71.01386	4.7
72.99303	7.7
73.02934	1.3
75.00871	36.2
85.02943	3.3
87.00878	15.1
88.89095	0.8
89.02431	3.1
96.96008	1.4
97.06574	2.4
99.00877	2.7
101.02437	2.4
103.00374	4.0
108.02173	2.7
109.02968	1.8
113.02474	1.2
117.03495	1.1
119.05027	43.9
120.05325	1.4
121.02930	1.6
123.04500	1.9
129.01952	11.3
133.02975	1.6
134.03743	55.8
135.04541	43.1
136.01660	34.2
136.02716	1.8
136.04842	1.6
137.02490	7.4
147.02998	8.3
148.05275	0.9
149.00916	39.4
149.06029	0.9
150.01208	0.8
151.03935	2.9
153.38184	0.8
161.02390	1.3
163.04012	57.3
164.04317	2.6
165.04037	100.0
166.04390	2.5
167.03485	0.8
171.21446	0.8
179.03496	29.8
180.03940	1.9
193.05040	1.7
197.04413	0.9
205.08646	1.5
231.10265	11.8
232.10683	1.5
233.08180	5.1
249.11412	0.9
267.06461	1.8
267.51865	0.9
292.01941	0.7
293.10300	6.4
311.07675	7.7
311.11325	14.9
311.14969	0.8
311.22104	1.1
312.11685	1.2
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
50.19598	1.1
57.03435	3.5
59.01363	3.2
63.09908	1.2
67.05545	1.8
69.03442	1.8
71.05026	22.0
71.38371	2.3
95.05014	1.5
97.06585	4.3
111.08262	1.7
121.10225	4.1
122.51841	1.2
123.08150	1.8
125.09740	3.0
133.02975	1.6
137.08752	1.5
137.09740	22.4
138.10104	1.6
171.10265	53.9
172.10646	3.1
181.12344	1.9
185.11810	5.6
193.12437	1.6
195.13916	2.5
197.11835	3.4
207.13937	1.4
211.13345	1.2
219.14038	1.9
223.13405	4.6
231.20461	1.1
233.15442	2.7
235.17000	2.6
237.14906	2.4
247.20715	2.4
251.16475	17.7
273.18512	1.4
291.19659	69.6
292.19983	7.1
309.20715	100.0
310.21094	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84262	2.0
57.03212	2.4
57.03448	22.8
59.01367	7.5
69.03449	5.2
70.99604	3.9
71.01371	12.0
71.05035	2.9
79.51556	1.9
80.02685	2.2
81.03454	2.7
83.05028	7.6
85.84742	1.9
93.03446	2.4
95.05009	3.4
97.06594	8.8
109.06655	2.1
111.08146	14.6
113.09740	15.8
115.19369	2.0
123.08185	2.2
125.09730	4.1
125.67966	2.1
127.11331	2.0
135.08176	2.4
137.09717	3.8
139.11305	5.4
149.09685	3.5
151.04051	1.9
151.07664	4.4
151.11285	43.7
152.08469	3.0
152.11566	2.4
153.12849	3.7
163.11237	5.4
165.12845	43.4
165.14163	1.5
167.10745	5.7
171.10300	5.2
179.10783	8.7
179.14447	3.5
181.12340	45.5
182.12610	2.7
185.11772	3.1
191.10745	14.9
197.11862	10.3
209.11829	100.0
209.15314	6.1
210.12167	6.4
211.13409	11.2
215.22083	2.1
227.12929	2.4
247.20605	12.2
263.20071	4.3
265.18771	1.8
265.21677	8.2
273.18488	3.8
281.21201	7.7
291.19714	37.4
309.16931	10.2
309.20688	39.9
310.21097	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2436
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.90772	0.8
55.77410	0.9
57.03438	1.7
59.01374	2.7
69.41678	4.4
69.42085	2.3
71.01373	0.9
79.95731	7.3
80.96504	1.1
83.05024	1.0
95.95261	1.9
96.56889	0.8
96.96014	81.4
97.02411	0.8
97.06579	4.2
98.19885	1.4
99.00928	1.0
107.88024	0.7
108.75295	0.9
111.08184	5.5
122.97578	2.2
127.11283	2.5
133.03020	1.1
151.04066	2.1
151.07680	5.0
152.08427	3.9
163.11230	1.2
165.11566	1.4
165.12866	24.2
166.13135	1.0
171.10262	1.9
177.13022	1.2
179.14354	1.1
181.12425	1.1
183.13910	10.9
184.14265	0.9
185.11781	0.9
195.13882	18.6
197.11789	6.7
209.11789	2.5
209.15424	5.6
211.13512	1.0
227.12817	1.5
252.09912	1.2
265.18100	1.9
291.19662	6.2
291.23291	16.6
292.23703	2.0
309.17368	96.2
309.20807	8.7
309.24335	100.0
310.17725	9.2
310.20944	1.6
310.24686	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	309.2436
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.55831	1.9
58.95518	1.8
59.01372	5.6
66.17188	1.7
71.28562	1.8
78.93054	1.9
79.95750	4.9
81.65398	1.9
84.58597	1.8
96.96014	52.6
111.08151	3.7
113.09705	3.1
122.97559	2.4
124.46909	1.8
151.03932	3.6
151.07605	7.6
152.08391	5.5
179.14435	17.9
197.11809	7.0
205.19621	1.9
209.15462	12.8
211.13480	2.7
265.18060	2.9
277.21719	77.1
278.22043	5.6
291.19574	9.4
309.17377	85.0
309.20889	7.6
309.24316	100.0
310.17542	4.7
310.21292	3.2
310.24609	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	311.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.3
64.70972	0.7
70.77113	2.0
71.01394	1.3
72.99316	9.1
82.83199	0.6
87.00875	19.8
88.74761	0.7
88.76695	0.6
89.02486	0.7
89.49951	0.6
99.16126	0.6
101.02439	0.7
103.00378	5.6
105.01942	2.0
107.05024	1.0
117.03490	1.0
120.45639	0.6
130.99850	1.3
134.03767	3.7
135.04529	59.1
135.81879	0.6
136.04857	2.1
146.75711	0.7
149.00922	100.0
150.01282	2.9
179.03503	61.8
180.03879	2.6
252.01398	0.7
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
57.03448	1.6
59.01385	1.5
67.01893	2.5
70.38091	6.1
70.38448	2.0
71.04999	2.9
80.02687	9.6
81.03452	5.6
83.05027	31.3
84.02163	9.9
91.51300	1.6
97.06598	4.4
99.08189	8.4
109.06583	2.9
113.09748	2.5
115.07681	3.9
123.04510	2.1
123.08106	1.9
125.09724	4.9
127.11288	5.3
137.08739	3.2
137.09735	53.6
138.10046	4.0
139.11327	9.9
151.07658	2.2
151.11278	5.0
153.09215	8.2
153.12720	2.3
154.09792	2.5
155.10786	44.9
167.10782	4.9
169.12305	2.0
171.10294	49.2
193.12346	29.3
209.11865	3.1
211.13374	4.9
221.12065	2.2
247.20721	7.9
263.20114	5.1
265.21732	8.1
291.19684	100.0
292.20154	13.6
309.17487	2.9
309.20703	82.3
310.21078	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
65.32956	1.3
69.03471	1.9
70.38097	4.7
71.18606	1.4
80.02691	2.1
81.03452	4.1
83.01374	10.2
83.05023	4.4
95.05011	1.5
97.06616	4.5
98.03706	2.0
101.07626	1.3
108.77747	1.5
109.06651	1.8
123.04529	4.5
123.08163	4.4
125.09760	9.9
125.46019	1.5
135.08133	2.1
139.11290	13.4
140.89514	1.8
163.11270	9.2
165.12866	17.2
167.10722	7.8
171.10257	1.6
181.12358	5.1
191.10786	3.3
193.15979	6.4
195.10278	1.6
209.11845	55.6
210.12215	3.6
247.20724	16.1
248.20879	2.9
265.21597	4.0
273.18591	3.0
291.19684	100.0
292.20035	7.9
309.20691	30.7
310.21136	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	309.2072
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.70703	4.1
50.93479	4.2
57.03447	31.5
59.01374	9.9
60.69999	4.2
67.78548	4.5
69.03460	5.9
69.49503	10.8
69.49906	24.5
71.01389	9.9
73.02954	4.6
80.02699	6.8
83.05018	6.5
95.05057	5.9
97.06558	5.0
111.08159	12.2
113.09722	10.1
123.08146	17.1
125.09703	17.0
127.11264	8.7
137.09709	13.0
139.11282	8.3
141.09198	6.4
151.07692	6.4
151.11295	44.2
153.12859	5.5
155.10785	57.7
163.11284	7.1
165.12839	29.5
167.10796	9.3
171.10271	100.0
179.10811	7.7
181.12361	38.9
182.45294	4.5
185.11824	89.2
186.12326	5.8
191.10802	14.0
197.11795	17.3
209.11842	93.5
209.15250	11.1
211.13358	18.5
212.10641	6.0
214.77710	4.8
247.20633	14.2
263.20126	15.6
265.21686	12.3
281.21204	17.9
291.19644	68.7
292.20038	5.9
309.17221	14.1
309.20660	76.3
310.21069	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36717	1.1
57.03465	1.3
73.08440	1.0
76.08732	1.0
79.95746	2.6
80.96504	1.2
81.03469	1.5
83.05019	3.1
95.05020	1.4
96.96011	36.1
97.06591	9.2
98.20621	2.7
109.06609	1.0
111.08159	11.8
122.97543	1.5
147.11708	1.5
152.08420	2.3
163.11273	3.5
165.12837	100.0
166.13217	4.6
183.13890	43.0
184.14288	2.8
195.13918	2.6
197.11830	2.3
200.23248	0.9
209.11740	6.7
209.15475	2.6
227.12901	2.4
229.12744	1.0
265.21677	1.9
291.19653	3.4
291.23187	1.6
309.17407	43.9
309.20724	5.5
309.23996	11.9
310.17578	5.0
310.24759	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.69765	0.8
57.03469	2.2
57.22877	0.7
59.01405	3.2
62.90981	0.6
69.03468	1.8
69.29038	3.8
69.29465	3.5
71.05018	17.0
80.65538	0.7
81.03511	0.8
83.05051	1.7
93.07104	1.7
95.05051	1.5
96.96060	1.5
97.02990	1.1
97.06590	6.1
98.20628	1.5
107.05056	2.1
111.08138	4.6
119.08689	3.2
121.10250	10.8
123.04541	1.6
123.08202	2.4
125.09724	10.5
133.02979	2.8
135.08185	1.5
137.09724	24.4
139.11330	0.8
141.12885	1.5
142.64825	0.7
146.59731	0.7
151.11284	0.8
158.85507	0.8
169.12433	0.7
171.10266	50.7
172.10629	2.7
177.01909	1.4
181.12392	1.6
185.11835	15.0
186.12222	0.8
197.11833	9.9
207.13875	1.4
207.17453	0.8
209.11765	1.8
211.13405	3.0
217.15930	0.9
219.13914	2.2
223.13412	0.9
235.13446	0.8
235.16968	3.4
237.14943	3.2
247.20703	2.7
251.16512	39.8
252.16867	3.8
263.20313	1.4
273.18640	3.3
291.19653	100.0
292.20004	9.7
309.20691	84.7
310.21048	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
53.76013	1.4
57.03440	4.3
59.01363	3.8
61.84565	1.3
67.01841	1.6
69.03459	2.1
69.49241	3.5
69.49653	7.4
71.01381	2.2
71.05012	1.9
80.02674	2.4
81.03467	3.2
83.01374	4.2
83.05014	7.4
84.02156	1.5
97.06595	4.5
99.08153	2.7
109.06676	2.2
111.08157	2.7
113.09711	4.1
120.15605	1.4
123.04498	2.6
123.08160	2.9
124.08561	1.5
125.06120	1.5
125.09700	8.2
127.11329	2.3
130.47929	1.4
130.93655	1.4
135.08170	1.4
137.09760	7.3
139.11290	9.5
141.09120	1.8
147.11800	1.9
151.04013	2.0
151.11319	11.8
152.08417	2.6
153.12833	1.6
155.10757	6.1
163.11278	5.1
165.12842	16.7
166.13158	1.8
167.10786	6.5
171.10245	7.8
179.10782	2.4
181.12407	10.7
182.12570	2.5
191.10789	4.2
192.25407	1.3
193.12354	4.1
193.15961	3.3
197.11833	4.6
209.11847	45.2
209.15439	2.4
210.12152	3.6
211.13390	2.6
225.47061	1.5
247.20639	12.2
263.20132	1.5
265.21719	5.3
273.18655	5.0
281.21170	3.1
290.76923	1.4
291.19659	100.0
292.20023	11.8
309.17166	7.0
309.20670	66.5
310.21048	5.7
316.70941	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.2
58.00552	2.3
59.01350	3.9
69.03445	6.4
70.74158	6.8
73.02953	2.2
111.08164	35.6
119.08659	18.3
120.18861	2.3
125.09715	8.3
127.07651	3.9
127.11296	3.3
137.09714	37.0
151.11267	3.8
153.09218	2.5
153.12926	3.6
155.10791	2.6
167.10768	3.9
169.12352	6.8
171.10260	100.0
172.10634	3.3
181.12352	4.1
183.10251	4.7
183.13823	2.5
185.11781	20.4
195.10275	2.9
197.11830	99.6
198.12193	4.5
201.11348	8.1
202.50240	2.2
211.13376	15.3
213.11287	10.0
225.14929	3.3
227.12859	2.5
233.25758	2.5
263.20074	5.1
265.18118	4.8
273.18625	10.4
291.19675	62.1
292.19958	4.8
309.17142	5.1
309.20697	92.4
310.21048	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.0
59.01379	1.5
69.03460	4.6
70.12998	4.5
74.17587	0.9
81.03468	1.0
83.05035	1.0
88.53024	0.8
90.88260	1.0
97.02951	21.4
97.06590	1.9
106.10899	1.1
111.08097	1.0
119.08639	2.3
123.08185	1.2
125.09692	3.4
136.97319	1.0
137.09718	4.0
163.11267	4.4
165.09117	1.2
165.12848	10.3
171.10242	9.3
179.14413	1.9
181.12337	4.0
183.13881	1.9
193.12340	1.4
193.15916	1.2
209.11813	4.5
211.13353	2.1
223.13364	2.0
227.12865	7.3
247.20659	10.8
273.18542	3.7
291.19647	100.0
292.19971	10.2
309.20697	54.9
310.21072	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46420	1.0
64.57608	1.0
69.03441	1.5
69.71935	3.9
69.72353	2.3
93.07124	1.3
97.02929	1.0
98.17311	1.0
102.98170	1.0
109.06602	2.0
109.71306	1.1
111.08163	35.6
127.07642	2.0
151.11293	1.4
169.12315	5.4
181.12334	2.2
197.11821	100.0
198.12154	5.1
199.13380	3.8
211.13390	9.3
214.98874	0.9
223.16989	1.4
226.16524	1.1
227.12943	4.8
242.13638	1.0
247.20699	1.4
263.20224	4.5
265.18167	3.0
273.18564	2.2
291.19656	24.2
292.19998	2.2
307.85309	1.0
309.17102	2.2
309.20718	39.9
310.21054	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
58.00589	1.8
59.01381	1.1
69.03479	0.9
69.72200	3.5
76.06385	0.7
83.05031	1.0
88.94717	0.6
93.07092	0.9
97.06599	0.9
98.19866	1.1
111.08156	28.9
127.07631	3.3
141.09338	0.7
148.11211	0.8
151.11249	1.2
151.49750	0.7
153.12877	1.2
169.12402	4.6
181.12384	1.6
183.13876	1.3
193.12398	1.1
197.11830	100.0
198.12151	5.6
199.13429	3.4
211.13382	10.7
213.51320	0.7
227.12936	2.9
263.20078	6.3
265.18063	3.1
273.18701	1.8
284.00131	0.8
286.88376	0.8
291.19678	17.5
292.19998	1.5
302.55997	0.7
309.20712	34.6
310.20895	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01394	1.2
61.36691	1.0
63.70412	1.1
70.99409	2.0
97.06558	3.2
111.08148	1.5
113.97996	1.1
141.09171	2.0
149.24361	1.1
149.89091	1.2
163.73749	1.3
165.12805	3.4
167.10704	1.5
181.12346	4.2
193.12346	2.6
195.13843	2.7
197.11804	4.3
209.15434	1.9
211.13365	4.7
221.15520	2.2
245.19066	1.5
247.20486	4.0
273.18686	1.5
281.21085	1.4
291.19623	41.4
292.20026	5.0
309.20682	100.0
310.21017	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	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03428	1.9
61.53907	0.9
67.01889	1.9
70.13993	4.4
70.14361	1.5
97.06623	1.2
98.20519	1.7
109.85767	0.9
111.08163	2.0
121.10223	11.8
125.09711	7.7
128.21089	1.1
137.09700	2.6
167.14436	2.2
171.10297	5.2
185.11815	12.2
197.11826	5.1
211.13387	69.9
211.97701	0.9
212.11790	1.2
212.13693	3.7
221.15433	1.1
225.15050	1.3
240.03766	1.0
243.22232	0.9
249.57018	0.9
253.58075	1.0
273.18695	1.7
291.19666	100.0
292.19989	11.4
309.20755	7.1
310.20615	1.2
328.23309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.2
58.83157	0.8
59.01368	3.4
67.01894	0.8
69.03453	3.8
71.05012	3.8
71.30362	1.7
81.03438	0.8
83.05024	6.1
85.02956	1.8
85.06578	3.8
87.04520	2.1
91.62019	0.9
95.05024	1.2
97.01958	1.1
97.02949	22.3
97.06590	2.0
98.03329	1.0
109.06581	3.5
111.04513	2.2
111.08172	2.0
119.08659	1.9
125.09693	1.2
137.09717	6.0
163.11296	1.0
165.12848	1.6
167.10747	1.3
171.10265	12.0
171.46164	1.0
177.16487	0.9
179.10738	1.2
179.14420	3.3
181.12398	2.3
183.13857	2.6
189.86613	1.0
193.12314	1.4
195.13898	21.1
195.17369	1.0
196.14243	1.5
205.12288	1.8
211.13310	1.3
217.15961	1.2
221.15462	15.2
223.13385	8.7
223.16893	2.1
227.12984	1.2
233.15463	3.5
239.12946	2.1
239.16536	4.2
240.08638	1.0
247.20761	4.4
251.16473	4.4
258.74487	0.9
273.18579	3.6
291.16220	1.1
291.19650	62.2
292.20047	7.0
309.20709	100.0
310.21082	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
59.01390	2.3
62.09233	1.3
67.01897	1.5
69.03442	6.0
70.38574	4.8
71.05025	1.3
81.03437	1.5
83.05008	2.6
85.02953	3.5
97.02953	50.3
98.03235	1.1
99.00865	1.8
109.06634	1.3
111.08170	4.2
119.08675	7.0
125.09737	3.7
135.08096	1.3
137.09727	24.6
151.04024	5.2
151.07652	7.4
152.08447	11.7
153.09184	1.2
155.10846	1.3
171.10271	49.8
171.20610	1.1
177.12871	2.3
183.10283	1.7
184.07448	1.3
185.11821	6.1
193.08615	1.8
193.12387	1.2
195.10330	1.2
195.13986	1.8
197.11833	6.3
201.11343	2.1
209.15453	15.4
211.13420	5.7
213.11189	1.6
221.11873	6.3
223.13373	1.6
239.12802	5.6
247.20522	2.4
252.09938	3.5
263.20184	1.8
265.18167	3.0
268.39612	1.2
273.18625	6.7
291.19662	43.9
292.20044	3.1
309.17093	30.6
309.20712	100.0
310.17426	1.9
310.20993	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89881	0.7
57.03443	2.1
58.00587	0.7
59.01373	1.9
68.14951	0.7
71.01367	1.3
81.03433	0.9
83.05030	1.0
109.06559	1.6
111.08149	3.4
113.45897	0.7
125.09722	2.0
127.11301	1.8
137.09718	2.2
139.11337	1.0
151.04010	1.0
151.07710	1.2
151.11241	1.1
152.08394	1.7
153.12793	4.2
155.10754	2.1
155.42346	0.8
159.67021	0.8
163.11226	1.4
165.12830	2.0
167.10736	2.4
171.10272	2.2
179.10704	0.9
179.14375	1.8
181.12366	4.1
193.12361	0.8
193.16127	1.2
197.11838	7.4
199.13345	1.4
207.13869	2.1
209.11832	2.6
209.15450	2.6
211.13399	1.2
215.12888	1.2
227.12831	1.0
228.13672	1.2
247.20667	6.8
263.20200	1.2
265.21799	1.4
273.18466	1.7
281.21286	2.0
291.19647	48.5
292.19962	4.9
309.17343	5.3
309.20694	100.0
310.21094	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	309.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.1
59.01384	2.2
63.16851	1.1
70.75041	2.3
70.75409	2.1
71.05029	16.3
83.05013	1.5
93.07081	1.0
97.06595	5.4
107.05009	2.2
111.08138	3.3
119.08695	1.5
121.10248	9.1
123.08181	2.3
125.09728	8.4
137.09734	21.4
141.12834	1.3
161.59908	1.1
171.10281	42.6
172.10529	2.5
181.12361	1.7
183.10252	1.3
185.11841	15.0
197.11890	8.0
207.13840	1.3
207.17699	1.4
209.11781	1.7
211.13368	2.0
219.13748	2.3
235.16859	1.8
237.14995	2.5
247.20700	2.8
251.16508	39.1
252.16827	2.2
273.18567	1.6
291.19684	100.0
292.19940	9.2
309.20721	85.0
310.20984	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14223	1.1
59.01376	5.2
69.37272	2.2
69.37682	8.3
71.01385	25.3
72.99330	1.2
74.17054	1.2
87.00864	2.0
89.03985	2.7
93.03456	2.0
98.19871	2.3
105.03449	1.5
109.02967	1.8
115.00376	9.1
117.03461	9.1
119.05029	8.7
121.02964	1.5
133.01416	3.2
133.02965	14.6
134.03745	85.7
135.04430	5.3
137.02431	3.3
145.02974	2.1
149.06111	6.7
163.03989	6.2
177.01987	6.5
178.02664	7.9
179.03470	4.5
183.62514	1.2
187.22917	1.3
193.05054	100.0
194.05397	4.8
219.02953	2.0
230.87891	1.3
309.04242	2.1
309.07706	4.1
309.13260	1.8
309.16980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96186	1.0
58.66372	0.8
59.01385	5.2
69.35130	5.2
69.35551	2.4
71.01389	23.1
71.02758	1.0
71.31512	1.1
72.99294	1.1
87.00866	2.7
89.03986	2.2
93.03481	1.3
95.05023	1.0
95.73293	0.8
105.03462	3.9
115.00378	8.7
117.03470	8.3
119.05039	5.9
128.74702	0.9
133.01396	2.9
133.02948	12.0
134.03749	84.0
135.04445	2.9
137.02438	2.7
145.02925	2.0
149.06136	7.0
160.04025	0.9
161.02422	1.7
163.04030	4.4
169.09149	1.1
177.01959	6.1
177.05489	1.2
178.02715	5.6
179.03416	2.8
184.56055	0.8
193.05063	100.0
194.05403	7.0
235.05231	1.0
274.02991	1.0
309.07401	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.6
59.01390	7.1
59.27954	1.1
66.81904	1.3
69.03447	1.8
69.58391	8.0
71.01397	3.0
71.05032	4.5
80.02683	2.7
81.03468	1.9
83.05031	4.8
85.58208	1.3
89.68843	1.1
93.03471	1.7
95.05049	3.3
96.96000	3.1
97.06599	11.0
99.04514	5.2
106.04253	3.7
107.08673	1.3
109.06592	3.7
111.08151	3.6
121.06602	5.4
121.28640	1.2
123.04556	1.6
123.08183	7.4
125.09752	8.1
127.07658	5.5
135.08186	16.9
137.09734	4.8
138.06955	1.4
145.06650	1.4
149.06110	1.5
149.09697	3.2
151.11305	10.4
153.09209	6.2
155.10794	4.2
163.11304	2.7
164.08429	1.7
165.09259	1.3
165.12860	4.6
167.10760	2.8
169.12381	1.6
171.10262	22.6
177.12859	3.3
179.10776	3.8
181.12323	4.6
185.11853	14.5
191.10725	2.7
191.14388	2.1
193.12340	2.7
195.13864	2.6
197.11929	1.4
199.13464	3.8
205.12370	2.0
207.14030	2.0
209.11792	9.4
211.13429	7.6
221.15448	4.8
233.15439	2.9
245.19115	23.6
246.19374	2.3
261.18552	2.5
263.20255	4.4
265.18201	1.4
271.17081	5.2
279.19748	4.5
289.18103	68.5
290.18484	8.0
307.19162	100.0
308.19366	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	307.2282
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
54.24701	0.2
55.08685	0.3
59.01376	0.4
61.44944	0.3
68.80309	0.3
69.89831	1.4
83.65643	0.3
96.96004	0.7
98.19948	0.5
116.39080	0.3
213.15036	0.3
289.17795	0.3
305.70862	0.3
307.22772	100.0
307.60330	0.3
308.23117	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	307.2278
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
57.03444	4.8
59.01381	6.2
69.67330	6.1
83.05045	1.0
83.09325	1.1
96.95992	1.1
97.06573	2.5
107.49139	1.1
110.11584	0.9
121.06588	1.2
123.08200	2.0
127.11293	8.1
149.09734	1.9
151.11307	10.1
153.12810	3.2
167.10760	1.4
177.12900	5.0
179.14458	1.0
197.11818	9.4
205.15921	2.8
228.01965	1.1
231.21159	3.7
275.20135	52.5
276.20367	5.1
285.09396	1.0
289.18036	3.2
307.19568	4.7
307.22760	100.0
308.23117	11.4
313.54678	1.0
321.03323	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.38533	1.1
57.03453	1.7
59.01383	6.1
69.03450	1.6
87.88885	1.0
95.04994	1.1
95.89575	1.0
96.96005	1.1
97.06550	1.5
99.14326	0.9
99.43468	1.0
107.14641	0.8
111.08134	1.2
125.09698	1.1
167.10783	2.0
177.12794	3.2
177.16444	1.8
179.14395	12.0
186.92961	1.0
195.13882	4.4
205.12370	3.0
205.15970	9.6
216.00801	0.9
223.13411	17.5
224.13744	1.1
231.21123	5.3
242.52170	0.9
257.19168	1.5
275.20148	86.8
276.20456	7.5
307.22778	100.0
308.23184	10.6
321.97952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2281
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
59.01385	5.3
59.30652	0.8
61.32828	0.8
70.65203	0.7
71.30359	0.8
71.30717	1.0
82.25249	0.8
85.31425	0.8
96.96022	2.5
177.16438	1.2
209.11809	1.4
231.21188	7.0
275.20163	100.0
276.20462	10.2
289.18253	1.6
307.19208	3.7
307.22699	17.6
308.23123	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2643
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
52.94945	0.7
55.55769	0.7
55.78781	0.8
56.91143	0.6
67.30571	0.7
69.53746	4.9
91.00690	0.6
92.25798	0.6
99.79460	0.7
220.14977	0.7
307.26425	100.0
308.26764	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.3
59.01369	6.4
62.38219	1.3
67.01855	1.7
70.75356	4.3
70.75685	1.7
71.01411	1.8
80.02665	1.8
81.03454	5.3
83.01371	7.7
83.05025	2.7
95.05038	3.9
97.02955	6.3
97.06594	12.2
109.02959	1.8
109.06623	1.7
115.07647	2.3
121.06561	2.3
123.04556	9.0
123.08156	4.1
125.06120	1.9
125.09741	14.0
128.50453	1.6
135.08156	3.5
137.06091	3.2
137.09726	10.6
141.12907	2.0
149.06114	2.6
151.11276	1.6
158.97850	1.6
163.11267	15.8
165.12900	2.9
171.10297	2.3
177.12859	2.5
179.10742	4.3
181.12335	4.2
185.11833	19.2
191.10645	2.1
191.14398	16.3
192.14720	2.6
207.10246	9.2
209.11835	23.8
210.12148	1.8
211.13396	2.2
217.16037	2.6
225.11380	8.4
226.11890	1.9
245.19081	39.9
246.19551	5.0
263.20224	2.2
271.17062	5.0
289.18097	100.0
290.18408	12.5
307.19150	52.4
308.19437	6.2
321.73929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32399	1.9
55.46145	1.7
56.83367	1.9
57.03437	6.5
59.01377	5.5
63.23653	1.4
63.24045	1.4
69.49593	11.6
69.49988	4.1
81.03452	5.8
83.01375	7.3
83.05013	2.2
90.67363	1.5
93.03409	1.8
95.05067	3.9
97.02956	2.5
97.06561	8.3
98.20712	2.0
107.08578	1.7
121.06567	2.2
123.04519	9.7
123.08178	3.7
125.09720	19.5
135.08141	4.0
137.09734	10.8
140.52757	1.8
141.12907	2.2
149.06007	3.1
149.45470	1.7
163.11279	19.7
165.12802	3.1
181.12292	4.9
185.11836	20.8
191.10690	2.8
191.14384	23.6
207.10287	8.6
209.11824	40.0
210.12091	2.3
220.53300	1.8
225.11314	11.0
226.12003	2.9
245.16597	3.0
245.19090	42.8
246.19450	3.9
263.20236	2.1
271.16980	6.3
277.25403	2.1
289.18079	100.0
290.18347	6.2
290.83640	1.8
307.19141	53.0
308.19629	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68829	2.1
57.03446	16.3
59.01368	8.0
69.03460	5.1
70.38015	4.1
70.38377	4.2
71.01396	9.1
80.02669	3.2
81.03431	2.3
82.89641	2.1
83.05019	8.4
90.54848	1.8
95.05025	7.0
97.02956	1.9
97.06596	19.3
98.03723	2.6
98.55826	1.8
107.04936	2.2
108.63731	2.1
109.02959	2.2
109.06567	5.2
111.08150	14.1
121.06587	2.7
123.04510	5.5
123.08168	2.1
125.09707	6.6
127.11266	2.3
137.09718	4.3
141.37483	2.0
149.09729	4.0
151.11302	29.0
152.11638	2.4
153.09229	4.6
153.12796	2.7
155.10754	12.8
163.11302	7.3
165.12849	34.4
167.10770	6.0
169.12244	4.6
171.10278	3.7
177.09200	2.7
177.12814	4.1
179.10780	8.2
181.12335	35.9
182.12639	2.4
185.11801	6.4
191.10796	15.4
191.14435	7.2
195.10214	3.4
197.11824	4.1
205.12326	2.9
209.11838	64.5
210.12114	3.8
211.13353	10.2
217.15984	2.2
238.46162	1.9
239.09291	3.8
239.80124	2.5
245.19080	38.0
246.19411	3.7
263.20221	11.9
271.17163	4.4
279.19672	7.4
289.18069	47.3
290.18295	3.5
307.19138	100.0
308.19534	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	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.26931	2.3
53.70854	2.2
57.03437	7.9
59.01368	4.5
65.09824	2.6
70.92754	6.6
71.01371	7.1
83.05019	3.2
93.03450	2.5
97.06587	16.9
107.05060	2.7
107.08654	2.3
109.06641	4.0
111.08166	9.2
123.04491	3.4
125.09750	3.8
127.11240	2.7
149.09735	5.0
151.11313	18.9
153.09200	4.4
153.12895	4.0
155.10777	12.4
161.09671	3.0
163.11267	5.2
165.12833	18.9
167.10777	3.3
169.12315	2.7
177.12872	5.0
179.10799	6.1
181.12358	24.1
191.10783	13.5
191.14395	6.7
205.12315	2.8
209.11838	43.5
210.12166	2.5
211.13458	4.7
217.15959	2.5
225.91307	2.2
235.20616	2.3
239.09393	4.4
245.19107	31.8
263.20206	12.6
270.69400	2.8
271.16934	3.6
279.19659	6.2
289.18057	46.2
290.18228	4.3
307.00476	2.6
307.19144	100.0
308.19406	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49129	0.2
59.01385	0.3
69.30552	0.9
69.30974	1.4
74.99070	5.8
91.02209	2.7
91.92616	0.3
93.00137	2.5
102.72404	0.3
149.00958	2.6
159.08470	7.5
160.08685	0.5
161.06383	1.8
192.98199	0.6
206.99657	1.7
209.01253	2.3
210.01196	0.3
217.07213	0.5
223.02832	48.9
224.02902	5.2
241.03885	1.0
275.05927	0.3
289.07541	1.9
289.18005	0.5
291.09091	100.0
292.09216	12.9
307.12216	3.1
307.19196	0.6
308.12378	0.3
309.10159	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.5
59.96732	0.6
68.40003	0.4
69.97440	1.6
74.99068	6.5
91.02222	2.6
93.00144	2.4
98.19961	0.5
100.70686	0.5
149.00938	3.0
159.08469	8.1
161.06383	1.8
206.99733	1.6
209.01288	2.1
217.07181	0.6
223.02834	52.7
224.02876	5.1
241.03824	0.5
270.17209	0.5
275.05902	0.5
289.07452	2.3
289.18124	1.1
291.09094	100.0
292.09201	13.9
307.12183	3.1
307.19147	0.9
308.12582	0.7
309.10223	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	NSC-224070
Peak:m/z	Relative Intensity
57.03466	1.1
58.00593	1.9
59.01382	49.5
60.01717	1.0
69.32606	1.6
69.33011	4.6
70.77943	0.6
71.01385	24.5
72.95600	0.6
72.99320	2.3
73.02958	1.7
83.01407	2.2
85.02961	5.3
87.00873	1.8
89.02447	21.9
95.01386	1.8
96.95990	1.0
99.00907	1.2
99.08163	21.6
101.02441	15.0
113.02452	7.8
113.82748	0.7
119.03498	7.8
127.07664	2.9
129.09212	2.3
134.03735	1.1
141.09233	1.3
145.02934	1.6
145.08705	68.0
146.09079	3.0
147.04573	0.9
159.04507	1.1
161.04575	1.2
162.03157	0.7
172.05283	0.7
173.06100	2.0
179.05597	1.3
187.04031	1.1
187.07689	8.9
187.09673	1.8
201.05637	1.5
202.06306	4.0
213.09229	2.6
215.07127	0.8
231.10138	3.3
233.04575	1.0
245.11852	0.7
248.10539	0.9
263.12936	5.3
289.12045	1.1
307.14066	100.0
308.14420	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
58.02968	1.1
59.01382	100.0
60.01722	1.3
70.39090	2.9
71.01385	9.6
73.02946	3.4
74.02464	1.8
81.17577	0.7
83.01368	1.8
83.50079	0.7
85.02955	4.3
85.03398	0.7
87.05569	0.8
89.02443	3.2
95.01375	0.9
96.04556	0.9
99.00868	2.2
99.05638	2.4
99.76793	0.7
101.02432	7.6
108.04626	0.7
110.06148	1.0
111.49162	0.8
113.02441	3.3
119.03518	1.0
119.05017	2.1
122.06087	1.5
124.04033	5.4
128.03580	4.5
129.03860	3.1
134.03751	1.4
135.04498	1.9
136.04045	2.3
138.05608	3.3
140.07127	1.2
143.04630	6.0
144.04929	3.4
145.06578	1.0
145.08684	2.2
147.04742	1.0
161.04631	3.6
163.03979	1.0
167.10130	0.9
173.06076	1.8
178.03746	1.0
179.03377	1.1
180.03477	2.9
180.04967	1.4
187.07582	1.2
233.04471	1.2
247.11084	1.6
249.12573	0.8
254.07910	1.2
255.08128	2.0
265.12955	8.3
273.09109	2.0
277.11884	3.3
290.67166	0.8
307.04678	1.6
307.08075	4.3
307.13892	7.2
308.07776	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.8
57.03448	5.3
59.01379	1.8
59.94496	1.2
60.19652	1.3
61.98831	3.3
65.03968	69.5
66.04298	1.5
67.80744	1.1
69.03487	1.3
71.05025	40.4
71.38452	2.7
83.05024	3.3
85.79599	1.2
97.06594	73.5
109.06580	2.4
119.08664	12.5
121.06600	100.0
122.06921	4.3
123.08189	3.7
125.09733	46.1
126.10023	2.4
137.09741	5.2
141.12883	2.1
167.14333	1.7
185.11833	84.3
186.12175	5.8
209.11844	33.5
210.12262	1.5
211.13405	34.4
212.13773	2.0
217.12389	1.5
233.15414	1.3
235.13403	92.5
236.13701	6.3
279.19672	1.4
289.18115	19.7
307.19131	24.3
308.19513	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	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01884	5.0
57.03447	5.5
59.01371	3.4
61.18764	1.7
65.03961	68.2
69.03448	4.5
69.38373	1.6
71.05025	42.1
71.39342	3.7
81.31963	1.7
83.05031	6.1
93.03465	8.1
95.05008	2.0
97.06589	69.8
109.06575	3.7
117.07101	7.4
119.08669	23.4
121.06593	100.0
122.06969	5.5
123.08147	4.2
125.09720	48.3
131.67972	2.0
132.64513	1.8
135.08160	48.4
136.08562	3.2
137.09700	5.0
141.12842	2.7
151.11295	2.0
154.13220	1.9
160.33772	2.0
163.11272	4.3
165.20950	1.6
171.10287	27.8
185.11839	75.0
186.12192	3.6
200.14369	1.9
205.15948	2.8
209.11841	38.6
210.12154	1.9
211.13394	35.7
212.13792	2.1
217.12280	2.6
233.15497	6.8
235.13377	96.6
236.13794	7.4
245.19066	3.7
249.14975	6.8
289.18085	62.1
290.18356	5.7
307.19089	40.6
308.19458	3.7
328.48508	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46526	0.3
54.24080	0.3
57.03459	0.3
59.01381	2.6
60.24649	0.3
69.03442	0.9
70.15323	1.1
71.01395	0.4
71.05023	6.3
73.43041	0.3
80.02663	1.3
81.03461	2.3
83.05033	1.8
89.69411	0.3
93.03492	0.3
95.05034	2.3
96.96017	0.4
97.06602	0.5
98.03730	2.0
99.04168	0.3
106.04247	1.0
107.04945	0.4
108.02150	0.4
109.02943	0.3
109.06595	14.4
110.03758	0.4
110.06944	0.7
111.04520	7.0
111.08142	1.4
112.05328	0.7
119.05018	0.3
119.08650	0.5
121.06619	0.7
121.10200	0.5
123.04516	0.8
123.08174	1.5
126.55434	0.3
127.07642	3.5
135.08179	0.5
137.06064	0.9
137.09717	0.9
141.09186	0.3
143.10785	1.8
145.06627	2.6
149.06058	0.8
149.09698	1.2
151.11305	0.8
153.09221	0.3
163.11259	0.5
167.10805	3.0
177.09206	0.4
177.12901	0.4
179.10760	1.5
181.12347	0.7
187.11156	0.3
191.14375	1.0
195.13898	4.3
207.17570	0.5
227.38329	0.4
233.15559	0.4
235.13339	2.2
239.61832	0.3
245.19075	5.6
246.19333	0.5
249.14912	0.9
251.16492	1.4
261.18655	0.5
263.20181	0.5
271.17068	1.7
273.14844	0.5
287.16486	2.1
289.18085	100.0
290.18460	9.5
307.15533	0.5
307.19131	10.1
308.19440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.046
Annotation	Fulvic acid
Peak:m/z	Relative Intensity
52.81988	0.4
54.81424	0.3
57.28092	0.3
59.01375	3.2
65.00311	1.4
65.03944	1.3
68.99795	1.7
70.19621	1.2
71.01358	0.4
71.05020	1.2
72.99308	17.3
73.49284	0.6
79.31429	0.4
87.00877	4.9
97.06584	1.2
101.02414	0.4
103.00365	0.7
108.02193	1.1
111.00867	0.8
112.98788	1.1
117.03407	0.4
121.02988	0.9
121.06597	1.8
127.00362	2.2
130.04274	0.6
132.02176	3.6
133.02948	1.4
134.03745	16.9
135.04559	2.5
136.01662	2.8
137.02484	2.0
139.00313	0.7
144.02165	1.3
145.02919	1.0
146.03682	1.1
147.04536	0.8
148.01653	0.5
148.05327	0.6
149.02483	0.5
149.06081	8.7
150.03203	0.8
151.03979	2.2
154.99884	0.7
157.03012	0.7
158.03712	1.3
159.04533	4.1
160.01662	12.8
161.02452	19.7
162.03224	36.5
163.03671	1.5
163.61096	0.4
173.02406	2.2
173.06073	0.7
174.03239	2.5
175.04007	17.8
175.52847	0.4
176.04785	2.7
177.05574	13.4
178.02701	0.9
178.05943	0.9
185.02473	2.2
185.11827	1.7
186.03220	4.0
189.01903	1.6
190.02721	24.8
191.03082	1.1
191.07176	2.3
193.04979	1.9
194.02174	0.8
201.05595	1.5
202.02725	17.6
203.03197	1.4
204.04323	0.8
205.05046	25.0
206.05370	1.9
209.11848	0.9
211.13306	0.5
213.01979	0.6
214.02678	1.5
218.02179	5.1
219.06685	0.4
230.02208	14.7
231.02562	1.2
233.04546	100.0
234.04875	6.2
235.05986	0.5
235.13338	1.5
245.04539	14.5
245.19208	0.5
246.01883	0.5
246.04774	0.7
248.03233	1.0
250.01183	2.8
261.04138	0.7
263.05609	2.5
289.03543	13.5
289.18008	1.0
290.03879	1.0
307.04593	66.2
307.19086	1.3
308.04929	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89344	1.2
58.62284	1.0
59.01367	2.3
65.66287	0.9
66.44584	1.1
68.99823	1.5
70.70275	1.1
71.01390	1.3
71.77694	1.1
72.00906	2.8
72.04546	24.8
72.99308	13.1
87.00870	3.7
87.05638	13.4
88.04044	12.3
91.05521	9.9
96.96019	2.3
97.04066	4.1
97.06580	5.2
98.19914	2.6
99.05645	5.0
100.04047	91.7
101.04402	1.5
108.02203	1.5
109.04066	3.0
113.03609	1.4
114.01952	3.0
115.05138	85.3
118.06630	2.4
119.05009	2.5
132.02162	2.0
133.02959	4.8
134.03749	100.0
135.04590	17.9
136.01602	1.6
136.04877	1.1
137.02440	2.3
144.03032	47.4
145.02983	2.8
147.04529	6.7
149.06078	4.6
158.03745	1.3
159.04495	4.3
160.01669	9.6
161.02444	14.8
162.03236	26.0
163.03874	1.3
164.07185	3.3
171.86244	1.0
174.03250	1.8
174.05579	1.7
175.03999	14.5
176.04759	2.0
176.07146	13.6
177.01929	5.1
177.05586	9.9
178.02724	15.0
179.03493	4.5
180.52946	1.3
185.02489	1.5
186.03166	2.2
187.07602	2.1
189.06769	1.4
190.02730	16.4
190.05070	3.3
191.03349	1.7
191.07140	1.7
201.10390	11.1
202.02710	10.3
203.10794	1.1
205.05084	16.9
206.05443	1.9
218.02226	3.2
219.11313	3.6
220.06131	2.3
230.02191	11.6
231.10220	3.9
233.04553	69.4
234.04829	4.1
235.10876	45.6
236.11192	4.1
245.04608	10.8
245.09297	22.5
246.09731	2.0
250.01274	1.7
251.01819	1.6
261.08804	4.5
263.10333	12.6
263.12891	1.7
275.09235	4.2
289.03574	8.2
289.08344	2.9
307.04587	50.7
307.11948	30.8
308.04938	5.1
308.12274	2.6
325.74933	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0459
Annotation	Fulvic acid
Peak:m/z	Relative Intensity
59.01378	1.5
65.00324	2.3
68.99474	0.4
68.99803	2.4
69.04623	0.4
70.02566	0.9
70.02965	1.4
70.36894	0.4
71.01339	0.4
72.99309	17.2
72.99721	0.9
75.21675	0.4
83.01373	0.4
87.00881	3.2
90.01382	0.4
98.19975	0.6
105.06335	0.4
107.00565	0.4
108.02166	1.2
111.00867	0.9
112.98795	0.6
117.03422	0.7
121.02945	1.0
127.00368	1.7
130.04330	0.5
132.02190	3.6
133.02937	1.1
134.03740	19.9
135.04558	3.6
136.01662	1.8
137.02422	1.6
139.00317	0.7
144.02197	1.2
145.02983	2.4
146.03723	0.6
148.01598	0.6
148.05310	0.7
149.06085	7.4
151.03987	1.7
158.03712	2.0
159.04538	4.4
160.01656	10.3
161.02451	17.9
162.03229	37.4
163.03603	2.1
173.02437	1.9
173.06047	1.0
174.03192	1.3
175.04015	16.6
176.04753	3.2
177.02022	0.5
177.05577	14.5
178.02690	0.7
178.05942	0.6
185.02486	2.2
186.03215	3.1
189.01907	1.3
190.02722	23.3
191.03149	1.7
191.07138	2.6
193.05046	1.6
194.02203	1.3
201.01813	0.9
201.05598	1.3
202.02715	14.3
203.03078	1.0
204.04230	1.0
205.05042	22.9
206.05377	1.5
213.01895	1.0
214.02692	1.2
217.63388	0.6
218.02168	5.0
219.02670	0.7
219.06624	0.7
229.99986	0.9
230.02190	12.0
231.02504	1.0
233.04538	100.0
234.04865	6.6
235.06096	1.0
245.04541	13.1
246.04927	0.6
246.52086	0.4
248.03232	0.8
250.01151	3.2
251.01218	0.5
261.03918	0.6
263.05585	2.8
270.39536	0.5
271.86865	0.4
289.03552	12.9
290.03876	1.1
307.04581	64.4
308.04932	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	307.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09593	0.3
59.01380	1.7
65.00327	2.2
68.81670	0.4
68.99818	1.7
69.75461	1.4
69.75871	0.8
71.01376	0.7
72.99311	16.5
87.00876	2.2
97.09481	0.3
99.00911	0.7
104.02651	0.5
108.02201	1.0
109.02958	0.5
111.00870	1.0
112.98846	0.6
117.03429	0.6
119.05081	0.4
121.02953	0.8
123.04494	0.4
127.00367	1.1
130.04266	1.0
132.02191	3.2
133.02956	0.9
134.03743	17.4
135.04555	2.8
136.01634	1.8
137.02454	1.6
139.00386	0.6
144.02190	1.3
145.02994	2.1
146.03720	0.8
148.01654	0.7
148.05338	0.5
148.29909	0.4
149.06076	6.8
150.03200	0.5
151.04027	1.6
157.02985	0.5
157.89943	0.4
158.03729	1.4
159.04512	5.1
160.01657	10.7
161.02451	19.4
162.03224	38.6
163.03612	1.8
173.02438	2.0
173.06099	0.4
174.03218	2.0
175.03995	18.1
176.04749	4.0
177.05571	13.6
178.02617	0.4
178.05908	0.9
185.02492	2.3
185.25986	0.4
186.03152	3.2
189.01938	1.4
189.05544	0.4
190.02716	23.7
191.03244	1.4
191.07123	1.8
193.05081	0.8
194.02199	1.1
201.02092	0.4
201.05553	1.2
202.02713	15.7
203.03294	1.0
204.04207	1.2
205.05052	23.9
206.05408	1.2
213.02043	1.0
214.02679	1.3
218.02197	4.7
219.06630	0.4
230.02203	14.1
231.02481	0.8
233.04541	100.0
234.04909	6.1
235.06108	0.4
245.04544	14.2
246.01714	0.5
246.04852	1.1
248.03227	1.2
250.01144	3.6
257.48138	0.4
261.04138	0.5
263.05566	2.6
289.03537	13.3
290.03842	0.7
307.04581	68.8
307.11792	2.6
308.04929	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	307.0459
Annotation	Fulvic acid
Peak:m/z	Relative Intensity
59.01382	1.7
65.00327	1.8
65.72616	0.3
68.99812	2.7
71.01401	0.4
72.99307	16.5
85.02935	0.4
85.37943	0.3
87.00874	6.2
87.01363	0.6
106.04248	0.6
108.02182	1.5
111.00872	1.1
112.98838	1.0
117.03468	0.6
121.02950	0.7
127.00368	3.1
132.02176	5.0
133.02933	0.9
134.03738	20.8
135.04579	3.1
136.01659	3.1
137.02452	1.6
139.00343	0.5
139.04060	0.4
141.03419	0.5
144.02179	1.3
145.02908	1.8
146.03720	1.4
147.04533	0.6
148.01718	0.6
148.05290	0.7
149.02293	0.4
149.06081	8.9
150.03214	0.6
150.06358	0.5
151.04013	3.3
153.05669	0.5
154.99855	0.4
157.03001	0.5
158.03751	2.0
159.04497	4.3
160.01657	16.2
161.02446	19.5
162.03221	40.0
162.23604	0.3
163.03596	2.3
165.05595	0.6
173.02435	2.7
173.05997	0.4
174.03214	1.8
175.04002	21.8
176.04747	3.0
177.02051	0.6
177.05562	14.0
178.02702	1.6
178.05879	0.6
185.02451	2.2
186.03262	3.2
189.01909	1.1
190.02716	24.7
191.03169	1.4
191.07133	2.7
193.05054	2.8
194.02199	1.1
201.05562	1.1
202.02710	15.7
203.03256	1.3
204.04219	1.1
205.05048	25.0
206.05365	0.8
213.01921	0.5
214.02676	1.2
218.02193	5.3
219.02647	0.4
219.06531	0.4
229.59560	0.4
230.02193	14.3
231.02612	0.7
233.04538	100.0
234.04883	7.1
235.06111	0.9
245.04526	13.7
246.01750	0.5
246.04900	0.8
248.03235	1.1
250.01183	3.3
261.04044	0.5
263.05551	2.3
274.01242	0.5
288.59189	0.4
289.03543	13.5
289.18109	1.2
290.03812	1.1
307.04584	63.0
307.19101	1.1
308.04886	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	305.2487
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
50.14038	0.2
57.86800	0.3
59.01380	0.5
70.99459	0.2
71.01381	0.5
71.62118	0.3
79.76232	0.3
85.86528	0.2
117.56816	0.2
127.07551	0.3
132.25693	0.3
155.10834	0.4
293.62607	0.2
305.24854	100.0
306.25208	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	306.0765
Annotation	Glutathione
Peak:m/z	Relative Intensity
58.02974	14.0
58.99609	0.6
59.01392	2.7
61.60827	0.4
64.70612	0.4
65.88533	0.4
66.03505	1.7
68.53313	0.4
69.90733	2.4
70.02988	2.3
71.01383	1.5
72.00880	2.2
74.02473	28.3
74.85842	0.4
75.02824	0.4
76.00713	0.4
80.03812	0.5
81.04595	1.6
82.02982	4.2
83.02519	0.7
84.00914	0.7
84.04537	1.2
85.02966	0.5
85.04084	1.3
86.02477	10.0
86.06131	1.1
86.99086	2.4
87.05634	12.2
88.04047	1.0
89.02414	0.6
90.00199	4.2
90.69008	0.4
93.03384	0.5
95.02542	0.7
96.04560	1.9
97.04070	4.1
98.00719	0.6
98.02462	1.3
99.05640	23.2
100.00399	0.6
100.02204	0.5
100.04047	0.6
101.07202	4.3
102.05615	4.0
107.06147	1.4
109.04072	3.4
109.07730	1.4
110.02431	0.6
111.05651	1.7
112.04068	4.3
113.03580	1.5
113.07199	0.9
116.01769	1.9
119.05088	0.7
120.01265	1.2
121.04091	0.8
123.05652	2.8
124.04079	1.7
124.07710	0.7
125.03558	2.4
127.05140	4.6
128.03542	70.4
129.03885	1.6
129.99693	0.7
131.04628	2.3
135.04602	0.8
135.05630	5.9
137.07198	1.6
138.05632	1.8
141.06691	7.4
143.04620	100.0
144.01292	0.6
144.04970	2.2
145.02968	0.6
145.06201	3.7
146.04601	7.6
149.07210	1.0
150.05641	0.7
153.06696	5.8
154.05136	0.5
155.08243	1.1
160.00731	25.1
161.01083	0.8
163.92087	0.4
164.08513	0.5
166.09824	3.0
167.04620	6.8
167.08244	2.4
170.03276	0.9
171.04094	0.9
171.07777	1.7
174.04291	0.4
177.01836	0.6
177.03391	9.9
179.04613	21.2
180.04875	0.6
180.07698	0.7
181.06161	2.4
184.10892	1.2
185.05696	5.4
187.07620	0.5
192.07808	1.3
197.05673	4.4
198.08821	2.1
204.06631	0.6
210.06807	1.0
210.08821	21.1
211.09297	0.8
211.65779	0.5
213.03275	0.6
228.09882	1.8
231.04442	0.8
236.06870	0.6
242.07817	2.8
254.07808	26.2
255.08136	1.8
260.08908	0.8
272.08865	30.5
273.09222	2.0
288.06580	7.3
306.07635	38.1
307.04504	2.1
307.08051	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
50.85529	0.8
57.03435	1.0
59.01371	3.6
65.68076	0.9
66.93790	0.8
69.03456	1.2
69.98672	4.4
71.05025	40.8
72.82925	0.8
73.42515	0.8
80.02645	0.9
81.03458	2.7
83.04993	0.8
86.53510	0.9
93.03449	2.7
95.05025	21.2
97.02949	0.8
98.20534	1.5
104.39866	0.8
106.04270	2.0
107.05037	1.4
109.02962	1.1
109.05882	1.1
109.06590	15.9
111.04530	2.2
114.85368	1.0
119.04960	2.2
121.06614	5.4
121.10232	1.2
122.03730	1.5
123.04543	1.5
123.08107	1.1
127.07652	2.0
132.05774	0.8
135.08150	2.6
139.07614	0.9
147.04504	2.5
147.08142	2.6
149.06110	2.1
150.06776	1.0
151.21500	0.9
161.06094	2.7
164.08372	1.0
165.09219	13.8
165.56897	0.9
175.11208	1.3
189.12863	16.3
190.13155	1.1
203.14488	1.4
205.15982	9.2
231.13896	1.8
233.11775	8.5
243.17529	10.6
249.14943	13.1
261.18750	2.4
263.16406	1.5
269.15463	2.9
287.16531	82.4
288.16888	6.7
289.14478	1.6
305.17584	100.0
306.17868	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
57.03432	1.6
59.01371	2.9
59.38191	1.0
71.05025	34.7
75.23717	1.0
81.03446	2.7
83.05003	1.9
93.03464	1.9
93.98241	0.9
95.05031	15.8
98.19728	2.1
106.04243	1.7
107.05018	2.2
109.02907	1.3
109.06587	11.4
111.04530	2.3
119.05042	1.1
121.06577	5.5
122.03728	1.5
127.07641	2.4
131.03313	1.0
134.28714	1.0
135.08183	3.8
147.04431	1.8
147.08153	4.9
149.09601	1.1
150.06898	2.5
157.75778	1.0
161.06035	1.7
161.09663	1.2
164.08455	1.2
165.09193	11.1
177.09082	1.0
179.14378	1.2
185.11864	1.3
189.12885	12.0
203.14494	1.8
205.15941	9.1
206.16226	1.4
231.13936	3.3
233.11809	6.8
243.17467	9.1
245.15411	1.1
249.14972	12.0
250.15245	1.4
259.17084	1.0
261.18518	2.3
263.16663	1.6
269.15457	2.6
287.16541	73.5
288.16879	6.3
305.17593	100.0
306.17950	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	305.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03444	2.7
59.01387	0.9
65.03971	1.4
69.98145	3.5
71.05018	4.8
79.05536	8.1
83.05038	1.5
91.05547	5.1
93.03474	0.9
95.05014	1.6
97.06595	11.8
106.04258	16.4
107.05037	2.6
107.08692	3.6
109.06590	1.9
117.07103	5.4
119.05027	5.7
120.05856	4.3
121.02995	0.8
121.06626	2.5
123.08160	5.5
125.09743	22.1
126.10023	1.2
133.06619	1.4
134.83232	0.7
135.08182	100.0
136.07570	0.7
136.08498	4.6
137.09683	1.1
151.11282	2.2
153.09174	0.9
161.06081	1.7
161.09865	1.0
162.06802	1.8
163.11234	1.0
171.10286	3.5
177.12914	0.9
185.11884	3.8
189.12903	1.8
201.99576	0.9
205.15991	3.2
207.10258	2.4
231.14064	1.0
233.11664	0.9
242.57982	0.8
243.17442	1.9
249.14973	33.2
250.15292	3.0
261.14954	2.6
261.18430	0.9
263.16516	2.1
269.15475	4.3
275.16525	0.9
277.18143	4.6
287.16531	17.4
288.16989	1.4
305.17599	96.9
306.17947	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	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.7
59.01373	12.2
69.03454	3.0
70.23352	5.1
71.01380	5.1
81.03460	5.4
83.05013	4.1
85.02944	2.1
89.02432	3.5
93.03451	3.9
95.01416	4.1
95.05036	4.8
97.02959	4.1
97.06615	9.3
100.98692	1.7
101.02434	3.6
107.05035	4.0
109.02955	4.6
109.06598	4.8
110.53828	1.7
121.02982	4.6
121.06606	2.5
121.10262	1.9
122.03698	2.4
123.00947	3.5
123.04521	2.5
123.08172	3.5
125.02440	5.0
125.06136	14.5
127.07663	11.2
133.10158	1.9
135.04489	3.8
135.08168	3.9
136.05266	2.6
138.06854	4.8
139.07695	3.2
149.09717	6.8
151.07677	2.0
151.11287	3.2
161.09821	1.9
164.08430	3.1
175.11308	2.9
177.09193	3.0
179.10765	2.4
189.12839	8.8
193.12370	1.6
195.13922	23.2
223.13400	1.7
231.13936	5.0
243.17546	49.1
244.17815	2.6
249.35323	1.6
250.12114	15.5
259.16965	4.9
261.18570	11.9
265.10876	2.0
269.15442	3.3
287.16556	48.8
288.16806	4.1
305.08548	5.5
305.17612	100.0
305.21036	5.5
306.17896	9.1
306.20905	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	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
56.15115	1.4
58.54799	1.2
59.01384	11.5
64.36339	1.3
65.69800	1.4
69.03459	1.5
71.01359	1.7
71.05021	16.5
71.61747	1.7
73.02947	7.3
73.90543	1.2
74.18606	1.5
79.64160	1.3
85.02959	1.8
93.03474	1.5
95.05009	4.0
97.06608	6.4
99.04516	100.0
100.04833	3.4
107.05006	1.5
107.08651	3.0
109.02972	1.8
109.06612	5.1
110.03693	1.8
114.30679	1.4
119.04934	1.4
121.06576	3.7
123.08160	23.8
125.06077	10.4
127.07658	2.3
133.10179	1.5
135.08211	2.6
136.05319	3.9
138.06880	1.8
147.04520	1.7
149.09718	6.9
161.13380	4.7
164.08418	2.2
175.07605	2.1
175.11272	2.7
188.12090	1.5
189.12798	4.9
193.12341	6.4
195.13971	2.1
205.12274	6.4
219.13948	8.6
221.15460	2.6
231.13922	5.2
243.17529	47.0
244.17860	5.3
249.14923	4.9
259.17032	2.1
261.18591	3.1
269.15491	7.4
287.16522	83.0
288.16861	8.4
305.17581	89.3
305.20880	3.1
306.18073	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	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23026	0.8
57.03448	1.0
59.01388	0.9
69.96307	3.5
70.48216	0.7
71.05025	1.0
80.34783	0.9
86.05199	1.0
97.06581	3.0
105.03482	1.0
116.42196	0.9
121.02943	7.5
123.08138	1.8
125.09732	10.6
127.11295	1.4
133.06567	1.6
135.08157	1.7
139.83067	0.8
158.07326	2.2
159.08150	2.4
161.06041	1.8
167.64764	0.8
171.10266	23.3
172.10674	1.0
222.08908	0.9
243.17567	1.9
261.18524	1.3
275.16473	3.8
277.18076	6.4
287.16525	35.8
288.16861	3.6
303.16202	1.1
305.17578	100.0
306.17880	13.0
306.21509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	41.0
59.03325	0.7
66.55249	0.3
70.18572	1.3
86.39755	0.3
168.13931	100.0
169.14284	5.4
212.12915	3.8
213.13312	0.4
304.19308	0.5
305.17487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1146
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
51.75457	0.3
52.08791	0.3
59.01374	1.8
62.67291	0.3
65.99843	0.9
66.06900	0.3
68.99822	0.3
69.03460	0.6
71.01389	2.4
71.61039	0.4
74.02454	0.4
82.02984	3.9
83.01393	0.3
85.02928	0.4
86.20515	0.3
87.00922	0.5
89.02448	0.6
92.05049	0.5
93.03471	0.4
94.02996	2.0
94.06662	0.3
94.22117	0.3
96.04556	4.5
96.96043	0.3
97.02955	0.6
98.56538	0.3
99.04520	0.6
101.02429	0.7
103.00340	0.3
110.06128	0.4
111.04604	0.4
113.02494	0.4
117.03455	0.3
120.04575	1.1
122.02464	0.4
122.03748	4.6
122.06118	2.0
128.03604	0.5
134.03647	0.3
135.04506	0.7
135.05643	0.3
136.04047	1.6
136.07689	0.3
138.05617	100.0
139.05962	3.3
142.05098	0.6
143.04636	0.6
145.03003	0.6
145.06570	0.3
145.07715	0.8
149.00960	0.4
149.04816	0.5
150.05611	0.8
150.09251	0.3
160.00809	0.3
160.06168	0.7
161.02502	0.3
161.04613	0.5
161.08208	0.8
163.03999	0.6
164.07172	0.7
172.05313	0.3
174.05537	0.7
178.08746	0.4
188.07190	1.2
190.08745	0.9
202.08708	0.7
215.08313	0.4
216.10320	0.5
217.06232	1.0
218.07080	1.6
218.11812	1.4
219.07240	0.4
233.09346	4.9
234.09627	0.4
244.09801	0.9
245.09456	0.9
261.08035	0.4
261.12442	10.7
262.12912	0.6
264.45712	0.3
273.07596	0.5
287.10437	1.5
305.11441	14.1
306.07803	0.3
306.11862	1.2
318.14059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21445	0.2
59.01384	3.7
60.01700	0.4
61.98834	100.0
71.11013	0.4
87.54346	0.2
91.71170	0.2
117.02249	0.2
119.00171	0.3
159.01486	0.6
159.97340	0.2
160.01666	1.1
161.01222	1.9
161.98964	19.1
162.01657	0.6
162.99080	1.2
203.02371	0.4
203.98157	0.3
204.00012	3.8
205.00107	0.5
214.72893	0.2
217.63174	0.2
219.98024	0.2
261.99075	0.3
304.00043	11.3
304.02716	0.8
305.00153	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	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.70284	0.5
60.97514	1.2
70.03928	2.2
71.18500	0.4
74.99083	0.7
109.22272	0.4
118.09236	0.5
118.96261	0.6
134.99402	5.9
136.97275	2.3
143.05309	0.9
159.08450	1.5
161.06378	6.0
201.04152	0.7
203.05663	3.3
204.05821	0.4
205.03552	1.2
210.45314	0.5
211.27678	0.4
215.05571	1.0
217.07195	88.0
218.07359	7.2
223.59990	0.4
235.08203	0.5
261.06021	0.5
283.11951	0.7
285.13464	36.3
286.13632	4.2
301.16583	100.0
302.16803	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	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98927	0.1
58.00589	0.1
59.01381	0.7
64.91780	0.1
69.81483	0.8
71.01385	0.2
91.04000	0.6
98.19888	0.3
111.08184	0.3
147.04553	0.3
150.10312	0.1
164.07152	0.2
165.12837	3.6
183.13895	100.0
184.14243	5.0
209.11833	2.4
224.89572	0.1
227.12878	4.9
228.13214	0.2
301.00049	0.2
301.07831	0.2
301.16577	10.0
302.16965	0.8
324.39841	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00620	0.1
59.01389	0.8
71.01112	0.1
71.01432	0.1
88.02286	0.1
89.02449	0.3
91.04012	1.1
93.36457	0.1
94.05098	0.1
97.06609	0.2
111.08143	0.3
165.12856	3.4
166.13298	0.2
177.35124	0.1
183.13899	100.0
184.14238	5.8
192.00647	0.1
209.11826	2.6
210.12146	0.2
227.12872	4.6
228.13200	0.4
283.93909	0.1
300.99701	0.1
301.16559	10.0
302.16907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1084
Annotation	3',4'-Dihydroxy-5,7-dimethoxyflavan
Peak:m/z	Relative Intensity
56.32138	0.6
57.44848	0.6
58.43136	0.6
59.01415	1.5
70.11911	2.1
81.46651	0.5
95.01466	1.7
108.02233	1.0
109.02962	13.9
110.00188	0.7
117.03551	0.6
121.03049	1.9
123.00896	6.9
123.04619	1.7
124.01686	10.2
133.03035	2.7
134.03754	6.4
135.04626	2.3
136.01669	48.5
137.02477	20.9
137.03470	0.8
138.03308	4.7
139.04025	9.7
149.02444	6.2
149.06094	16.4
150.03233	37.2
151.04031	4.4
161.02473	9.3
163.04091	2.4
164.54919	0.7
165.05566	21.8
165.99092	1.3
166.05980	1.0
167.05386	0.5
177.05701	0.8
183.13942	1.6
193.83391	0.6
209.06114	0.9
211.04050	0.6
225.05585	1.7
227.07138	1.7
253.05032	5.3
254.05577	0.7
256.03793	5.1
269.08008	0.6
270.05374	3.2
271.06116	29.2
272.06503	2.3
285.07712	4.8
286.08478	100.0
287.08783	8.1
300.99911	5.1
301.07211	2.9
301.10800	57.8
302.00201	0.9
302.07953	1.0
302.11066	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	301.0931
Annotation	Tachioside
Peak:m/z	Relative Intensity
59.01381	0.5
71.01379	1.2
71.36128	0.5
71.59958	0.2
72.99323	0.2
83.01405	0.4
85.02928	0.3
93.03461	5.8
95.01402	1.1
95.04972	0.2
99.00864	0.3
101.02448	0.7
108.02168	0.2
109.02905	0.3
111.02108	0.2
113.02483	0.8
121.02961	7.9
123.00894	19.3
124.01772	1.5
125.02483	0.5
128.49345	0.2
137.02432	1.0
138.03242	13.1
138.05463	0.5
139.04022	100.0
140.04353	3.8
149.02385	0.4
151.04015	0.2
158.99733	0.2
161.04581	0.8
163.04001	0.3
165.01912	0.5
166.02751	0.4
168.00809	0.2
181.05055	1.0
193.05110	0.6
205.00203	0.2
211.06169	0.2
259.65955	0.3
272.95950	0.3
297.80585	0.2
300.99594	0.4
301.05722	0.8
301.09399	2.6
309.39520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77839	0.2
59.01377	1.4
68.01411	0.5
70.73869	0.8
71.01374	0.2
79.95766	0.3
93.03458	2.2
94.03781	1.6
97.89458	0.2
108.02164	0.2
120.04533	0.3
122.02478	0.7
122.05974	0.2
123.03268	9.5
124.00735	2.0
137.02448	3.6
137.04814	0.7
138.02806	3.7
138.05612	100.0
139.02972	0.2
139.05984	3.2
152.07172	0.7
165.04326	0.8
167.05864	0.6
180.06680	1.5
300.05484	0.4
300.07764	0.3
300.10889	5.5
301.11154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86610	0.2
55.75914	0.2
59.01377	0.9
68.01418	0.6
70.73291	0.6
71.01367	0.4
75.51835	0.2
79.95739	0.3
88.04050	0.3
93.03465	2.7
94.03791	1.7
99.25878	0.2
120.04634	0.3
122.02507	0.7
122.06165	0.3
123.03264	9.7
124.00756	1.9
137.02440	2.9
137.04852	1.0
138.02818	3.3
138.05611	100.0
139.05986	3.8
152.07175	0.7
165.04330	0.7
167.05812	0.3
180.06654	1.6
215.03372	0.2
300.05560	0.4
300.10895	5.4
301.11310	0.4
306.33035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00329	0.4
56.77389	0.2
57.68351	0.2
59.01381	3.0
59.60755	0.2
68.01414	2.6
69.94800	0.8
71.01400	0.9
73.02985	0.2
74.50062	0.2
76.34707	0.2
85.02934	0.3
87.00864	0.7
87.97945	0.2
94.06624	0.3
95.05040	0.3
96.04574	0.4
98.02483	0.2
103.00419	0.3
109.01717	0.4
110.02492	0.3
110.06157	0.3
121.02965	0.2
122.02501	0.8
122.06155	0.3
123.03269	6.7
124.07703	0.9
125.06076	0.3
130.08730	0.4
136.07683	0.6
137.04852	0.9
138.05615	100.0
139.05962	3.3
140.07208	0.4
141.05676	0.2
152.03506	0.4
152.07193	1.7
166.08664	0.4
167.05879	2.4
168.06584	0.6
169.36041	0.2
171.07814	0.3
180.06660	5.6
181.07094	0.2
210.07765	0.5
222.07697	0.3
230.98761	0.2
240.08730	0.5
285.03644	0.3
300.10895	13.7
300.19061	0.4
300.99768	0.2
301.11237	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
59.01359	0.7
65.00323	4.1
70.21896	0.9
70.22275	1.1
74.27014	0.5
98.20457	0.8
136.98833	5.7
138.05592	1.1
141.12863	2.5
143.76271	0.5
149.99617	0.7
152.38188	0.5
164.01131	0.7
183.04457	0.8
186.03165	1.2
200.04829	1.3
211.04016	0.9
212.04738	1.9
227.03542	1.0
228.04187	0.9
233.31587	0.5
253.25362	1.8
255.03098	0.8
269.04639	0.6
281.24820	1.7
283.02518	1.6
284.03271	34.3
285.03711	4.2
297.24399	1.4
299.05649	16.8
299.09143	1.2
299.20456	26.1
299.25903	100.0
300.05927	2.4
300.20767	3.3
300.26227	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	299.1652
Annotation	Miltipolone
Peak:m/z	Relative Intensity
65.00313	1.7
85.12476	0.2
89.22646	0.2
94.75624	0.2
98.19811	0.4
115.60581	0.2
117.03465	13.1
118.04377	0.3
119.05034	3.3
121.02943	3.3
123.04516	1.1
133.02940	0.7
134.03729	0.5
136.98792	2.3
137.02394	0.3
138.05568	0.4
145.02950	63.5
146.03275	2.5
151.11255	0.3
153.12871	0.3
162.03186	1.2
163.04013	1.7
183.04559	0.4
185.00743	0.3
186.03183	0.4
200.04620	0.3
211.03955	0.3
212.04797	0.4
214.02695	0.3
227.03494	0.4
255.02951	0.3
256.03711	0.3
276.76837	0.2
278.90704	0.2
283.02423	0.5
284.03262	11.8
285.03641	0.7
294.65402	0.3
299.05594	4.9
299.16507	100.0
299.25476	1.8
300.05856	0.5
300.16858	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	299.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00353	1.1
69.74815	1.7
91.01896	10.9
93.03487	1.0
108.02201	1.5
119.01406	1.2
121.02963	32.5
122.03326	1.0
123.00898	0.5
124.76974	0.3
131.73575	0.3
133.02983	1.4
135.00893	9.6
135.01909	0.6
136.98839	1.1
146.75259	0.3
147.00887	21.6
148.01260	0.9
153.01978	3.2
156.93224	0.4
157.06592	0.4
161.02464	2.3
162.03238	19.1
163.03571	1.3
163.76701	0.4
173.06046	0.6
177.05559	3.2
197.06061	1.7
198.03229	0.6
199.04022	1.0
200.04709	0.4
201.05563	6.7
202.06039	0.5
210.03221	0.5
211.04034	1.1
213.05637	0.9
214.06409	0.6
225.05594	4.4
226.02750	8.6
226.05951	0.5
227.03409	1.9
228.04318	0.5
237.05553	0.9
240.04265	1.4
241.05090	10.6
242.05507	1.0
253.05214	0.6
254.02223	3.9
254.05045	0.4
254.05896	0.4
255.02861	0.5
255.06676	3.5
256.07193	0.7
265.05042	1.5
266.05936	0.4
268.03769	1.1
269.04553	65.2
270.04938	3.9
283.06107	7.1
284.03296	5.3
284.06882	11.6
285.03824	0.5
285.07245	1.4
299.09241	100.0
300.09595	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	299.0772
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.03886	0.3
57.90664	0.3
59.01383	1.8
65.03953	0.5
69.57404	2.2
71.01392	2.7
73.02954	0.7
73.91669	0.3
83.01390	0.6
85.02946	1.3
87.00891	0.5
93.03458	67.5
94.03791	2.1
98.19794	0.7
99.00918	0.4
101.02445	1.1
108.02184	1.3
113.02440	0.4
123.03278	2.2
124.00743	1.0
127.05183	0.9
137.02444	100.0
138.02788	3.7
138.05606	21.6
145.06213	0.7
152.01166	0.9
161.04539	0.5
165.82193	0.3
167.03522	0.4
180.06606	0.7
212.37880	0.3
265.56100	0.3
284.03345	1.9
299.08289	1.5
299.12439	0.7
300.10956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	p-hydroxybenzoyl glucose
Peak:m/z	Relative Intensity
58.00580	1.9
59.01378	39.2
71.00990	1.0
71.01382	18.5
71.33794	0.9
71.34149	0.9
72.99290	1.7
74.47699	0.6
83.01380	1.8
85.02947	3.7
87.00876	2.8
89.02444	21.7
93.03455	22.8
94.03774	0.7
95.01382	1.3
101.02442	9.0
102.50369	0.6
102.63323	0.6
103.00349	1.2
107.05033	0.9
108.02184	1.2
113.02456	8.6
119.03505	6.4
121.02938	1.2
123.04520	1.6
130.99883	1.4
135.04491	0.8
136.01675	4.2
137.02443	100.0
138.02768	3.5
138.05667	0.8
143.03482	0.5
149.02483	0.9
151.03981	3.9
152.01108	1.7
167.03510	5.8
179.03499	20.6
179.05818	0.8
180.03827	1.3
209.04559	2.3
239.05609	9.8
278.27911	0.6
284.03281	2.3
299.07742	38.1
300.08060	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	299.0561
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01377	1.0
63.02406	0.7
65.00323	1.9
65.56577	0.3
71.61996	0.4
72.81723	0.3
83.01397	1.0
83.86308	0.2
107.01397	1.9
132.02206	0.9
134.03749	0.8
136.98837	1.7
137.02432	0.6
148.01704	0.3
149.02429	0.6
149.99609	0.4
150.43185	0.3
151.00371	2.8
158.03749	0.4
161.02409	0.4
183.04488	0.7
186.03209	0.5
188.04797	0.3
199.03973	0.6
200.04799	1.1
211.03990	1.1
211.07649	0.3
212.04701	0.7
227.03470	2.9
228.04187	0.6
255.02992	2.4
256.03763	24.5
257.04117	1.4
266.02130	0.3
267.02985	0.4
275.46628	0.3
283.02481	1.1
284.03250	100.0
285.03613	8.0
292.90143	0.3
299.05594	68.8
299.25720	0.6
300.05960	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59167	0.2
52.59067	0.3
59.01368	0.4
61.41030	0.2
63.02395	1.4
65.00314	0.8
69.43429	0.6
69.43842	1.6
83.01381	1.4
87.00847	0.2
98.20644	0.5
99.68854	0.2
107.01383	2.8
127.75912	0.2
132.02156	0.4
132.35893	0.3
133.02930	1.0
134.03783	1.5
135.00806	0.3
137.02390	0.4
147.04375	0.3
148.01671	1.8
149.99603	0.6
150.03214	0.3
151.00391	3.5
158.03665	0.5
172.05252	0.3
176.01204	0.3
183.04489	1.0
186.03204	0.3
187.03951	0.5
188.04814	0.4
195.04594	0.5
199.03996	0.7
200.04781	1.2
211.03993	1.9
212.04712	0.8
215.03563	0.3
227.03490	3.9
228.04276	0.7
239.03519	1.4
240.04237	0.3
243.03043	0.3
255.02925	2.3
256.03757	9.6
257.04153	0.7
267.03043	0.5
283.02490	1.7
284.03247	100.0
285.03601	7.4
299.05597	75.9
300.02896	0.2
300.05951	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	299.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	2.8
59.01382	45.7
65.00324	1.4
69.52821	0.8
69.53142	7.4
71.01371	1.7
72.99313	3.0
73.18593	0.8
85.02930	0.9
85.69865	0.9
87.00875	38.5
91.01907	5.3
93.03460	42.5
99.00745	1.0
103.00374	23.7
108.02193	12.2
112.98806	1.4
113.02448	1.0
123.04534	22.6
124.04850	1.1
130.98952	1.4
130.99870	14.0
137.02446	89.3
138.02734	2.4
138.05606	1.5
152.01158	31.3
153.01485	1.4
167.03500	100.0
168.03883	4.8
255.10254	1.4
284.03207	8.0
299.04987	1.8
299.08087	1.5
312.79819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98083	0.3
55.35000	0.4
58.00584	1.0
59.01381	23.5
62.09738	0.4
64.42906	0.4
65.00322	0.5
65.03963	0.4
69.29691	4.0
71.01385	2.4
72.99309	1.5
73.02926	0.8
82.78529	0.4
83.01381	0.5
85.02941	1.0
87.00881	13.9
88.44202	0.3
93.03461	59.7
94.03793	1.4
101.02450	0.8
103.00368	13.5
107.05042	1.1
108.02180	2.8
112.98792	0.7
113.02441	0.8
117.03464	0.4
123.00888	0.5
123.03246	0.7
123.04549	4.8
124.01677	0.4
124.04871	0.5
130.99879	4.6
137.02449	100.0
138.02771	2.7
138.05614	8.4
145.06189	0.6
152.01178	3.8
153.01984	0.5
153.73112	0.4
161.04590	0.6
167.03493	11.7
168.03830	0.6
262.28848	0.5
281.10223	0.4
284.03214	3.3
299.05219	1.2
299.07935	1.2
299.12411	0.6
299.15646	0.4
300.10846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01385	1.5
61.73972	0.2
65.00317	0.4
69.03439	0.5
71.01369	0.3
71.61821	0.4
74.02482	0.2
80.04330	0.2
81.06330	0.2
83.05028	0.2
87.00883	0.7
88.04041	100.0
89.04377	1.2
103.00365	0.7
111.08168	1.6
112.98821	0.4
136.98822	0.6
137.02536	0.3
139.87624	0.2
165.12843	14.0
166.13177	0.9
167.10744	0.5
181.12321	0.7
191.10767	0.4
209.11803	1.0
218.38539	0.2
219.55104	0.3
225.11418	0.4
227.12862	0.5
236.16498	0.6
255.02942	0.3
280.15463	0.4
284.03278	4.6
298.04712	0.5
298.16589	25.2
299.02280	0.4
299.05533	2.2
299.08774	0.3
299.16559	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	298.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01385	1.5
61.73972	0.2
65.00317	0.4
69.03439	0.5
71.01369	0.3
71.61821	0.4
74.02482	0.2
80.04330	0.2
81.06330	0.2
83.05028	0.2
87.00883	0.7
88.04041	100.0
89.04377	1.2
103.00365	0.7
111.08168	1.6
112.98821	0.4
136.98822	0.6
137.02536	0.3
139.87624	0.2
165.12843	14.0
166.13177	0.9
167.10744	0.5
181.12321	0.7
191.10767	0.4
209.11803	1.0
218.38539	0.2
219.55104	0.3
225.11418	0.4
227.12862	0.5
236.16498	0.6
255.02942	0.3
280.15463	0.4
284.03278	4.6
298.04712	0.5
298.16589	25.2
299.02280	0.4
299.05533	2.2
299.08774	0.3
299.16559	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	297.119
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
52.03721	0.9
55.01894	2.1
57.03448	2.2
58.00597	5.1
59.01380	100.0
60.01731	0.9
69.03452	1.4
70.90211	2.7
71.01383	59.8
72.99304	4.4
73.02953	8.0
75.00854	1.1
78.95892	1.7
79.11847	0.9
81.97286	0.8
83.01397	2.9
85.02959	16.3
87.00875	3.6
89.02444	79.5
93.03448	1.3
93.41574	0.9
95.01396	4.1
96.95985	1.0
97.02967	1.0
99.00895	1.3
99.04541	1.3
101.02442	37.3
103.04024	1.7
105.01931	2.3
110.07204	1.9
110.12108	0.9
113.02447	26.9
113.03236	1.5
117.05605	1.0
119.03504	31.2
120.03865	0.9
121.02954	1.8
131.03522	3.5
134.03798	1.3
135.02983	1.0
135.04523	24.8
135.06644	20.3
136.04933	1.1
139.04025	3.5
143.03497	6.7
149.00925	2.5
149.04601	2.6
154.06259	2.7
161.04576	16.1
163.25560	0.9
165.01932	2.5
173.05959	1.3
179.05637	20.9
180.05922	1.3
191.07167	1.2
196.07297	1.1
220.78560	1.1
280.48087	0.9
297.08292	1.7
297.11884	37.7
297.98145	1.2
298.11893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.119
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.73960	0.9
57.03434	1.7
58.00584	2.9
59.01382	100.0
70.93206	2.1
71.01385	52.3
72.01733	1.0
72.99302	2.4
73.02939	6.1
76.90993	0.9
81.03434	1.5
83.01392	3.6
85.02958	13.4
87.00890	3.0
89.02447	74.3
91.07510	1.0
95.01375	2.5
97.02967	1.0
99.00903	1.3
101.02448	37.1
103.04015	2.0
110.07241	2.8
113.02451	26.5
119.03503	28.4
123.93253	0.9
131.03505	3.3
135.04517	2.2
135.06630	21.8
135.07574	1.6
143.03510	5.4
149.04552	3.1
154.06183	2.3
159.02948	1.1
161.04543	12.4
179.05614	18.9
180.06070	1.1
188.39499	0.8
196.07220	1.2
237.09795	2.6
256.12881	1.1
270.00772	0.9
297.11902	30.2
298.14539	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	297.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40197	0.9
55.01868	1.6
57.03448	2.3
58.00595	5.2
59.01378	100.0
67.97621	1.1
69.53302	6.9
71.01382	59.3
72.01748	0.9
72.99298	5.5
73.02953	7.6
75.00853	2.4
77.61540	1.0
81.03468	1.2
83.01393	4.1
85.02950	16.9
87.00873	9.7
87.04570	1.3
89.02444	72.7
93.03466	1.7
95.01402	4.0
99.00863	2.5
101.02444	36.4
103.00384	1.5
103.04026	2.3
104.49355	0.9
105.01933	4.4
106.97523	0.8
108.47668	0.9
112.98791	2.5
113.02457	24.1
117.05576	2.9
119.03510	26.2
119.05013	26.6
120.05337	8.6
121.02943	1.4
121.05650	7.1
131.03487	2.3
135.04529	19.0
135.06638	26.0
136.04872	1.0
139.03999	1.3
143.03474	5.4
149.00922	8.3
149.04579	2.3
150.01273	2.3
151.01378	8.9
161.04570	12.4
163.04010	26.0
164.04320	11.4
165.02069	1.0
165.04497	23.3
179.05617	16.6
191.07123	1.2
215.53334	1.0
297.05051	1.4
297.08362	3.7
297.11893	37.4
297.24350	1.6
298.12018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27164	4.6
59.01372	42.6
70.14561	4.6
71.01377	12.2
71.61848	9.0
87.54246	5.0
89.02435	18.1
91.01894	9.3
93.03451	11.5
96.96005	12.0
97.23669	5.4
101.02444	6.9
109.02942	46.7
117.03403	5.3
119.03516	9.0
119.05042	8.2
135.04514	32.6
143.05022	19.7
145.02917	14.0
146.03749	35.6
147.04515	25.7
179.05658	6.8
223.98161	5.4
235.07596	9.8
236.40500	5.3
251.07172	6.5
253.08652	100.0
254.09003	8.3
297.04199	11.7
297.07602	10.1
297.16971	7.2
297.24323	18.8
313.41382	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	297.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
61.00330	0.3
69.03493	0.4
69.58101	0.9
69.58533	1.2
71.01396	0.8
74.56713	0.3
89.02438	0.6
113.02401	0.4
117.03445	1.4
119.03494	0.4
121.02901	0.4
132.02173	0.7
135.04559	0.4
143.05051	0.7
147.00862	0.6
155.05011	1.3
167.05034	1.6
167.10823	0.5
171.04483	0.3
174.38037	0.3
179.14296	0.3
182.03683	0.4
183.04489	3.9
195.04517	5.9
195.13890	1.1
196.05029	0.4
205.12312	1.2
210.03197	0.7
211.04015	9.5
212.04349	0.5
223.03976	4.2
223.13382	10.3
224.04282	0.5
238.02718	0.8
239.03490	32.9
240.03879	3.2
241.05067	1.3
250.02722	0.4
258.92279	0.3
267.02975	44.6
268.03345	2.8
269.04486	1.0
282.05328	100.0
283.05670	7.3
297.07657	33.5
297.20859	0.7
297.24323	2.1
298.07947	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
68.23999	0.2
69.34607	2.2
69.34893	0.2
88.04050	2.5
93.03474	0.2
117.03474	0.9
121.02978	0.3
132.02156	0.6
137.30817	0.2
143.05052	0.5
147.00888	0.4
155.05032	1.1
167.04988	1.3
182.03734	0.6
183.04515	3.9
184.04797	0.3
195.04504	5.5
196.04858	0.5
197.02310	0.2
210.03197	0.4
211.04001	10.7
212.04361	0.5
217.74883	0.2
223.01869	0.3
223.03992	4.4
224.04329	0.4
236.16516	0.4
238.02621	0.6
239.03485	33.2
240.03851	1.9
250.02687	0.3
266.02017	0.3
267.02979	43.6
268.03284	3.6
280.15652	0.4
282.05328	100.0
283.05682	7.3
297.07672	34.1
297.24548	0.3
298.08057	2.9
298.16669	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
62.76798	0.6
69.61835	4.5
75.56194	0.6
76.72179	0.6
79.77802	0.6
119.27690	0.7
132.02155	1.0
143.04951	0.7
155.05002	1.5
167.05014	1.2
183.04507	3.8
184.04781	0.7
195.04523	15.0
196.04843	0.9
210.03221	1.1
210.06784	0.9
211.04008	14.1
223.04037	3.1
225.05539	0.7
238.02658	0.7
239.03494	58.8
240.03853	3.7
253.04916	0.9
254.05844	29.0
255.06183	1.6
267.02997	11.2
268.03278	0.8
281.04727	1.5
282.05334	100.0
283.05743	7.1
297.07678	84.0
298.08051	6.9
316.22995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21911	0.4
51.16546	0.3
59.01383	3.8
70.59103	1.3
71.01373	1.6
89.02442	2.4
92.66251	0.4
96.79935	0.4
98.20563	0.4
101.02437	1.5
113.02423	0.6
113.42337	0.4
130.02539	0.4
132.02139	0.6
135.04501	1.5
135.06665	0.8
141.20926	0.4
143.05006	0.9
155.05060	1.1
167.05054	1.5
179.05623	0.6
182.03751	0.8
183.04495	4.1
195.04497	15.6
196.04926	0.9
201.11641	0.5
210.03107	0.6
210.06862	1.4
211.03992	13.5
215.03537	0.4
223.04018	2.9
225.05585	1.5
238.02692	0.7
239.03482	61.2
240.03758	3.8
253.05077	0.6
254.05835	30.9
255.06195	2.1
266.02170	1.5
267.02960	12.3
268.03455	0.9
281.04514	1.4
282.05322	100.0
283.05664	8.2
297.07663	81.1
297.16855	0.6
297.24393	3.5
298.07986	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	295.2643
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
61.52137	0.8
62.47684	0.7
71.36240	1.0
71.36575	1.0
96.96016	2.4
98.95589	6.8
98.96466	1.0
185.63535	0.7
233.00058	0.8
295.17593	4.7
295.26419	100.0
296.26682	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
57.03439	2.0
59.01368	2.1
66.85345	0.9
69.03455	1.3
69.34839	4.2
69.35266	4.8
125.09709	2.1
140.27098	0.8
141.12823	1.4
147.77391	1.0
166.98317	1.0
171.10265	51.1
172.10530	1.8
183.10286	3.2
195.13902	2.9
277.21704	60.6
278.21948	6.7
295.22766	100.0
296.23157	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.8
60.43102	0.7
61.30627	0.7
70.93748	1.8
75.96757	0.7
102.27672	0.8
113.09715	2.6
117.58230	0.7
136.35443	0.8
168.88231	0.7
174.33014	0.7
179.14441	0.8
183.13896	3.3
195.13902	28.8
196.14259	1.5
207.15572	0.7
277.21729	23.5
278.22116	2.7
295.22784	100.0
296.23129	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	295.2276
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.12157	0.3
52.17346	0.3
54.32869	0.3
57.03443	0.9
59.01380	1.2
65.63405	0.4
69.31847	3.4
90.94179	0.4
99.49941	0.4
100.57794	0.4
113.09721	2.4
148.46367	0.4
157.00992	0.3
179.14389	0.8
181.12292	0.5
195.13901	17.4
196.14214	0.9
277.21710	16.9
278.21979	1.7
295.22763	100.0
296.23096	5.8
308.88193	0.4
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
59.01367	2.7
63.14523	1.0
70.04959	4.6
72.02795	1.4
74.07126	1.0
90.70682	1.1
90.85311	1.0
98.20533	1.2
99.08150	1.4
119.04982	1.4
122.33515	1.0
123.83393	1.0
130.74875	1.1
163.03935	2.0
165.12820	3.2
171.10266	21.6
176.29868	1.0
195.13927	6.3
277.21719	38.5
277.24756	2.2
278.22122	3.4
295.22781	100.0
296.23077	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	295.2278
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
59.01379	9.8
68.22395	1.3
71.01388	1.6
75.60343	1.0
83.05018	1.4
83.95028	0.9
87.00879	1.6
94.49434	0.9
97.02924	1.0
98.19828	1.8
106.14037	1.1
119.05001	6.0
127.79050	0.9
149.00929	2.6
152.13760	0.9
163.04031	7.1
209.15462	46.6
210.15837	3.6
223.17032	23.1
224.17366	1.5
253.14403	1.1
277.21719	62.7
278.22089	6.1
295.22775	100.0
296.23138	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	295.2276
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03452	0.6
59.01374	5.1
69.96788	2.5
71.01379	0.7
71.07519	0.5
87.00829	0.6
98.19958	0.6
106.27964	0.5
113.09757	0.9
119.05000	1.3
163.04015	1.8
171.10300	0.8
177.12836	0.8
195.13895	31.1
196.14244	2.2
209.15448	1.8
225.14952	9.9
233.22539	0.7
277.21725	34.3
278.22083	3.3
283.42114	0.5
295.22769	100.0
296.23111	10.8
305.17270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1916
Annotation	5,6-Dihydrocineromycin B
Peak:m/z	Relative Intensity
58.00554	2.5
59.01385	22.9
68.44872	2.7
71.01374	4.7
71.61986	2.3
71.62402	3.5
85.02946	2.3
87.00893	4.6
90.03083	2.3
95.05005	2.4
97.06602	30.2
101.02455	2.7
113.06168	3.4
119.05037	13.3
134.06116	7.1
139.75543	2.3
147.57742	2.5
149.00963	4.7
163.04015	17.0
167.10664	2.6
169.12363	6.8
183.10216	3.1
183.13808	3.2
197.11835	100.0
198.12187	5.7
199.13420	4.4
211.13493	13.4
233.19026	2.8
249.18623	9.5
251.16528	5.3
259.16971	3.1
277.18088	24.9
278.18362	3.8
295.10468	4.1
295.15753	4.4
295.19092	39.5
295.22409	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	295.0458
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
58.00616	1.5
59.01380	40.4
70.74026	2.7
72.99292	5.4
76.75287	1.1
80.83716	1.2
80.96076	1.2
83.80194	1.1
87.00884	22.1
93.03490	1.5
103.00375	16.6
110.27932	1.1
112.98798	1.9
119.05028	85.3
120.05355	2.3
130.99857	5.9
133.01448	2.1
149.00911	44.8
161.06122	1.7
163.04007	100.0
164.04320	3.4
180.41418	1.2
209.16093	1.2
269.25586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0459
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
55.73996	0.6
58.00587	1.5
59.01382	38.1
68.57409	0.5
69.64503	2.4
69.64908	1.2
72.99312	5.2
76.48777	0.5
86.50773	0.5
87.00878	23.7
93.03461	1.3
98.19939	0.7
99.97623	0.5
103.00379	17.0
107.32830	0.5
112.98830	1.5
119.05032	84.9
120.05384	3.4
130.99870	7.4
134.03770	1.2
135.04523	1.2
136.04317	0.6
149.00926	37.7
161.02463	1.0
163.04015	100.0
164.04362	4.7
165.04607	0.6
179.03406	0.6
181.04005	0.5
183.44310	0.5
205.84113	0.6
221.03500	1.6
251.07138	3.2
295.03284	1.0
295.06296	2.6
295.11191	1.0
299.73682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0459
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
51.54046	0.8
53.69621	0.8
55.96989	0.8
59.01380	8.0
70.36533	2.9
71.01383	0.7
72.99304	3.2
78.78789	0.9
87.00874	10.7
87.24667	0.7
98.19953	1.2
101.06364	0.7
103.00385	4.2
112.98806	6.4
119.05028	64.7
120.05367	2.3
133.01440	2.2
135.04491	1.0
148.99702	1.2
149.00919	33.8
163.04013	100.0
164.04353	4.7
200.63141	0.9
295.10449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2487
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01374	0.6
61.98817	0.4
71.01383	0.7
71.25089	0.6
79.95747	0.3
88.25384	0.2
89.73459	0.3
91.37684	0.3
96.83206	0.3
96.96010	20.8
98.83453	0.3
115.92115	0.3
117.36164	0.2
123.12881	0.3
177.02084	0.4
181.49919	0.3
187.47459	0.3
192.11588	0.5
193.16118	0.3
220.14684	3.1
221.15475	6.3
222.15770	0.6
236.10532	4.7
237.11015	0.4
242.13377	0.3
269.63483	0.3
272.65250	0.3
293.17990	15.8
293.24857	100.0
294.18341	1.5
294.25177	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01379	0.7
70.04044	1.1
71.01385	0.5
78.96842	0.3
96.96010	0.3
97.06623	1.2
113.09731	2.3
121.10217	0.3
123.08164	0.9
125.09737	3.6
125.37849	0.3
127.07693	0.3
135.04491	0.3
135.25269	0.3
139.11305	0.4
141.12860	1.4
149.09711	1.5
151.11302	0.3
156.13947	0.9
157.14282	1.3
167.10725	0.3
167.14471	0.3
170.12367	0.2
172.13972	0.2
177.09203	0.3
185.11835	8.5
192.11542	0.3
195.13959	0.6
197.11832	2.4
205.12328	0.4
219.02988	0.5
220.14648	2.8
221.15468	5.7
222.15788	0.3
236.10529	3.8
237.11038	0.4
249.22142	1.0
275.20145	1.0
293.21228	100.0
294.21564	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01387	2.0
61.98812	0.3
68.17420	0.2
69.03452	0.4
69.84792	0.2
71.01379	0.9
71.62114	0.3
78.96803	0.4
79.95744	1.1
80.96485	0.3
83.04991	0.3
85.06592	0.2
86.17326	0.2
95.05042	0.3
96.96008	0.7
97.06583	0.3
111.08166	0.9
113.09732	2.3
115.79092	0.2
121.10249	0.5
136.08939	1.3
139.11292	0.4
149.09721	0.2
151.11263	0.2
155.14468	0.2
163.04015	0.2
167.10709	0.8
171.10217	0.8
177.09200	0.6
177.12837	0.6
179.10860	0.5
179.14381	1.3
181.12305	0.4
181.63777	0.2
185.11644	0.2
191.14357	0.2
192.11504	1.1
193.15935	2.7
194.16287	0.3
195.13895	12.8
196.14366	0.7
205.12350	1.5
205.15936	0.8
211.13466	1.2
219.02979	0.7
220.14680	3.4
221.15446	7.1
222.15834	0.4
223.13377	8.4
224.13873	0.7
228.13660	1.4
229.13863	0.2
231.21167	0.5
235.16957	0.7
236.08208	0.3
236.10512	4.6
237.10858	0.5
239.12839	0.6
249.18526	0.9
249.22275	0.5
256.13126	2.9
257.13620	0.3
265.21649	1.1
275.20148	9.0
276.20560	0.6
293.21204	100.0
294.18399	0.5
294.21533	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
57.03447	0.9
57.16379	0.6
59.01382	2.8
62.40708	0.5
71.01388	1.1
71.61639	0.9
72.52795	0.6
78.96821	1.7
96.96013	2.1
97.06613	0.7
109.02943	1.2
113.09727	1.4
116.21487	0.6
121.02950	0.9
131.16010	0.6
134.03737	1.0
135.04524	1.3
139.00351	0.7
161.02455	1.6
163.04015	1.7
167.47034	0.6
179.14381	1.4
181.12479	0.8
185.11830	1.1
191.03464	1.5
195.13907	12.4
196.14424	0.7
205.12271	2.2
219.02979	4.2
220.14821	0.9
221.15482	1.5
223.13379	7.4
228.13710	1.1
231.02998	0.8
235.17070	0.8
236.10643	1.4
249.22208	0.9
256.13235	2.8
275.17041	0.8
275.20193	7.1
276.20508	1.1
293.03073	1.6
293.21231	100.0
294.18427	1.1
294.21530	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
55.71899	0.3
57.03442	0.6
59.01369	1.4
61.98828	0.3
64.52939	0.3
69.03436	0.5
69.56778	0.9
69.57201	1.2
71.01385	0.8
78.00735	0.3
78.91338	0.3
78.96803	0.5
83.64102	0.3
95.05026	0.4
96.95993	0.7
98.19868	0.6
105.06442	0.3
109.06619	0.3
111.08138	0.5
113.09723	1.2
123.08169	0.5
136.08955	0.8
139.11264	0.3
141.33293	0.3
148.32121	0.3
151.11296	0.4
155.26427	0.3
167.10797	0.5
177.09207	0.4
179.14439	1.4
181.12346	0.5
185.11853	0.5
192.11604	0.7
193.12453	0.3
193.15952	1.2
195.13905	12.0
196.14493	0.8
205.12332	1.3
205.15953	0.5
211.13419	1.0
219.03117	0.3
220.14661	3.4
221.15454	7.8
222.15842	0.6
223.13400	7.5
224.13701	0.8
228.13596	1.2
231.21291	0.6
236.10524	5.9
237.10765	0.4
239.12976	0.3
249.18581	0.8
249.22249	0.8
256.13123	2.6
265.21738	0.5
275.20148	7.0
276.20471	0.6
293.21219	100.0
294.21558	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	13-HOTE
Peak:m/z	Relative Intensity
54.88548	0.8
57.03446	1.7
59.01379	3.7
71.05022	3.8
71.38502	1.2
113.09727	7.6
116.83922	0.9
195.13852	1.3
196.84213	0.9
209.15430	1.2
221.15456	2.1
223.17070	5.1
231.21181	1.5
235.17046	25.3
236.17291	1.3
275.20166	25.6
276.20459	3.1
276.51468	0.9
293.21252	100.0
294.21613	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
51.71194	0.4
52.00760	0.4
52.06432	0.4
59.01377	0.7
66.79333	0.4
70.37179	0.5
70.37533	1.5
82.99528	0.5
84.10466	0.4
96.83580	0.4
98.20643	0.5
129.25941	0.5
152.19182	0.5
179.10840	0.6
179.14384	1.1
195.13908	14.2
196.14677	1.1
205.12201	0.5
211.13445	1.2
223.13390	11.5
224.13878	0.7
228.13670	2.2
239.12889	0.7
256.13159	5.4
269.96524	0.6
275.20108	8.6
278.51086	0.5
293.21234	100.0
294.21552	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15093	0.4
53.22080	0.4
57.03450	1.2
61.99167	0.4
62.90749	0.5
68.04839	0.4
71.30685	0.8
80.34505	0.4
85.16399	0.5
97.06601	0.7
123.08163	1.2
125.09721	5.4
128.84595	0.4
141.12912	1.2
149.09717	2.3
159.06180	0.4
167.14259	0.6
183.13861	0.8
185.11826	10.3
197.11757	2.3
221.15413	0.7
234.42520	0.5
236.10503	0.5
249.22211	0.8
275.19955	0.9
293.21219	100.0
294.21533	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.8
64.22360	1.0
70.23038	3.7
78.26314	1.0
88.84489	1.1
121.10239	37.9
127.45006	1.1
171.10280	61.8
172.10657	2.8
183.13957	1.7
231.21175	3.4
275.20154	100.0
276.20499	5.0
293.21234	74.2
294.21530	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.2
57.98378	0.4
59.01378	3.2
70.64223	1.5
71.01359	0.5
83.05034	0.8
86.74246	0.5
97.06615	0.9
102.11427	0.5
109.06594	0.9
113.09730	21.5
114.10050	0.7
120.72710	0.6
121.10210	1.4
125.09724	0.7
139.11292	2.0
155.10759	0.5
167.00069	0.5
167.10794	2.1
171.10301	3.1
177.12834	0.6
179.10794	1.9
195.13860	3.1
249.22295	1.6
275.20230	3.5
293.21231	100.0
294.21585	10.9
306.01794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45817	0.9
59.01385	3.6
71.01401	1.2
71.38060	1.9
97.06567	1.0
99.08162	1.5
126.63448	0.9
127.85199	0.9
131.06316	1.0
132.80464	0.9
134.47328	0.9
166.13249	1.2
167.13440	1.7
209.15459	100.0
210.15820	6.4
220.14694	2.1
221.15355	4.4
231.21320	2.5
236.10538	3.1
275.20151	60.7
276.20419	6.4
293.21179	71.1
294.21497	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
58.08780	0.5
59.01381	2.3
69.03454	0.9
71.01386	1.1
71.61393	0.5
82.61222	0.4
83.05038	0.5
113.09705	0.6
123.08160	1.9
139.11282	1.0
141.09261	0.8
151.11307	2.5
153.12798	0.8
169.12346	2.5
192.11569	0.7
197.11824	36.1
198.12141	2.4
205.12343	0.5
206.87065	0.4
213.14961	0.6
219.90480	0.4
220.14601	2.7
221.15421	4.4
222.16527	0.4
222.18614	2.5
231.21129	1.3
236.10562	3.4
249.18690	0.6
249.22200	1.1
250.21744	2.3
275.20151	17.8
275.23199	0.9
276.20474	2.2
293.21219	100.0
294.21469	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	13-Oxo-9,11-octadecadienoic acid
Peak:m/z	Relative Intensity
59.01383	1.4
71.01366	1.5
71.03098	0.6
71.03405	0.5
71.49405	0.5
72.03457	0.6
79.95752	2.2
95.95270	0.5
96.96014	100.0
97.06525	0.9
99.08162	21.2
100.08514	0.6
102.62315	0.5
118.83624	0.5
121.10223	0.8
123.69209	0.5
137.64326	0.5
192.11531	1.0
193.12331	12.6
193.16023	0.8
194.12822	0.7
195.13919	1.1
205.12366	1.0
211.13463	1.6
220.14667	5.3
221.15450	10.3
222.15819	0.8
223.13423	0.9
236.10513	9.1
237.10909	0.6
261.79401	0.6
265.21909	1.0
275.20209	1.8
293.17923	71.7
293.21252	46.0
294.18250	6.0
294.21579	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
60.42733	0.4
62.76470	0.4
67.41556	0.5
69.42529	4.2
70.21124	0.5
71.01390	8.2
73.57517	0.4
83.68552	0.4
84.85263	0.5
96.49886	0.5
114.59237	0.5
118.54753	0.5
127.07653	0.9
148.05318	1.4
151.07576	0.6
154.15929	0.5
164.08455	1.6
170.49634	0.5
177.09206	4.4
192.11559	6.5
195.13858	0.6
205.12370	6.6
207.13951	1.0
218.09447	2.5
220.14699	49.5
221.15471	100.0
222.15797	7.0
235.13460	0.7
236.10556	69.4
237.10909	6.3
286.80530	0.5
293.17615	9.1
293.21198	2.4
294.17923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96801	0.8
55.01875	1.7
57.03433	1.4
58.00586	2.5
59.01379	100.0
60.01704	1.3
60.99318	1.1
68.99788	0.9
69.03458	3.3
71.01382	50.0
71.61630	0.9
72.99310	12.8
73.02944	4.7
73.98545	0.8
81.03447	1.5
83.01375	3.0
85.02946	7.2
87.00875	6.7
89.02446	49.1
90.02754	1.3
93.03435	1.0
95.01383	2.1
96.96009	1.6
97.02971	4.2
97.06586	3.4
99.00884	2.4
101.02450	9.5
105.03432	2.2
108.02158	2.9
109.02965	9.1
111.00849	1.9
113.02454	5.4
117.03452	1.3
121.02978	4.1
125.02431	8.3
127.00378	1.4
131.03519	6.1
133.02948	10.5
134.03741	68.5
135.04559	19.1
136.01660	75.2
137.02461	21.2
139.00385	5.6
139.04031	0.9
143.03479	1.4
145.02953	2.7
146.03745	1.6
147.04541	1.4
149.02426	2.3
149.04527	4.7
149.06078	1.2
151.04008	7.9
158.03709	3.9
159.03264	1.5
159.04509	9.0
160.03987	2.5
161.02458	10.7
161.04495	1.2
161.06059	1.1
162.03154	3.5
163.03996	14.2
164.04279	1.3
172.05267	2.4
173.02409	1.7
173.06075	4.9
174.06769	2.9
175.07544	1.5
176.04842	1.6
177.05481	1.4
178.02667	2.3
179.03535	2.8
187.04008	3.0
187.07629	17.6
188.08044	1.0
189.01897	0.9
191.03482	9.6
191.05287	2.0
202.06319	5.4
203.06953	0.8
203.10771	6.5
205.08672	4.6
206.04567	1.0
209.78990	0.9
213.09193	4.0
219.00847	1.5
219.02994	29.0
219.10158	1.6
231.03008	6.3
231.06699	2.0
231.10255	34.6
232.10512	1.8
233.06229	0.8
233.08258	12.0
234.08449	1.2
249.11346	1.6
275.01984	3.5
275.09259	32.3
276.09543	2.7
293.03021	18.7
293.06528	1.5
293.07196	1.2
293.10312	15.5
294.10501	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.8
65.00336	0.8
68.99804	3.5
69.52572	4.2
69.52963	1.2
72.99306	4.3
79.91771	0.6
83.01450	0.6
84.12975	0.7
84.20269	0.5
85.24148	0.6
87.00870	3.9
93.03449	0.8
95.01372	1.3
96.99320	3.9
97.06605	1.3
99.00916	0.6
104.81889	0.8
105.03492	1.1
107.05038	1.2
108.02149	1.4
109.02957	28.3
110.03316	0.7
111.00885	1.8
112.98824	1.6
117.03482	0.7
119.05038	1.2
121.02974	3.5
122.03710	0.6
123.00838	1.1
123.04534	1.6
127.00360	5.0
130.99846	0.9
133.02960	9.4
134.03754	34.3
135.04539	31.3
135.05614	0.7
136.01659	6.3
136.04918	1.3
137.02449	16.8
139.00381	17.1
145.02983	3.5
147.04573	2.2
149.02470	0.8
151.04031	8.5
154.99777	0.7
159.04526	7.1
161.02457	31.9
162.03056	1.8
163.04021	39.1
164.04362	1.8
173.02444	5.6
175.04030	1.0
177.01971	1.5
177.05487	3.0
178.02733	5.0
179.03511	4.3
187.04027	4.0
187.07597	0.8
189.01924	0.6
190.02696	1.1
191.03503	26.9
192.03830	1.7
195.03090	1.4
195.75975	0.6
196.03830	0.8
201.01968	1.7
203.03523	1.4
205.05022	0.8
219.02982	100.0
220.03305	5.0
231.02983	19.8
231.05315	0.9
231.10255	3.3
232.03304	1.4
275.01956	10.4
275.09103	3.0
293.03040	58.1
293.10117	7.8
294.03412	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	293.0305
Annotation	Tricrozarin A
Peak:m/z	Relative Intensity
59.01382	1.3
64.96103	0.4
65.00348	1.1
68.99811	4.6
69.53421	1.8
69.53828	1.0
72.99315	2.8
73.00885	0.5
87.00891	3.5
93.03493	0.9
95.01387	1.1
96.99321	2.8
97.06576	1.2
105.03464	0.5
107.05038	1.3
109.02200	1.1
109.02955	22.6
110.03322	0.6
111.00903	1.9
112.98792	1.0
117.03477	0.9
119.05039	1.4
121.02943	3.2
123.00884	0.5
123.04561	0.6
127.00362	3.7
130.04268	0.8
131.05054	0.6
133.02960	9.6
134.03748	23.9
135.04533	29.7
136.01653	0.6
137.02448	12.1
138.02872	0.5
139.00378	17.2
145.02953	5.0
146.03632	0.5
147.04456	3.2
149.02455	0.8
151.03943	2.3
158.03731	0.4
159.04520	7.4
159.05762	0.7
161.02451	28.1
162.02930	1.1
163.04012	43.0
164.04355	2.3
173.02425	6.6
174.03133	0.5
175.04048	1.0
176.18478	0.4
177.01926	1.3
177.05603	3.3
178.02728	6.1
179.03513	3.6
187.04022	3.4
189.01971	0.8
190.02760	0.8
191.03505	30.0
192.03845	1.3
201.01991	1.5
203.03484	1.3
205.04976	0.9
219.02983	100.0
220.03329	4.7
221.04546	1.0
231.02974	21.6
231.10310	0.9
232.03343	1.0
247.02525	0.7
249.04050	1.1
275.01987	10.3
275.09305	0.8
276.02258	1.0
293.03030	57.6
294.03314	4.7
304.61301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0304
Annotation	Tricrozarin A
Peak:m/z	Relative Intensity
59.01384	2.1
61.83910	0.3
65.00328	1.3
68.99815	5.1
71.01379	0.8
72.99304	2.0
81.03447	0.4
87.00877	5.5
89.02444	0.7
91.05531	0.5
93.03453	0.9
95.01396	1.0
96.99310	3.0
98.20750	0.7
99.00884	1.2
106.53445	0.3
107.05016	1.3
108.02188	0.7
109.02950	21.8
110.03303	0.4
111.00895	1.5
112.98805	1.6
113.11826	0.3
117.03471	0.7
119.05013	1.2
121.02956	3.4
123.00884	0.8
123.04549	0.6
127.00384	5.0
130.04272	0.6
130.99879	0.5
131.05052	1.2
132.02200	0.6
133.02953	10.6
134.03749	8.0
135.04524	32.7
136.01689	0.3
136.04839	1.0
136.20526	0.3
137.02446	12.5
138.02815	0.5
139.00374	17.5
139.04007	0.6
140.00711	0.6
145.02956	5.2
146.03638	0.4
147.04498	3.4
149.02463	0.5
149.06030	0.5
151.03946	1.6
154.99962	0.4
158.03793	0.5
159.04523	6.9
160.61464	0.4
161.02443	33.5
162.02844	1.9
163.04004	46.8
164.04315	2.2
173.02426	7.0
174.03061	0.5
175.04002	1.4
177.01918	1.3
177.05595	2.9
178.02687	2.5
179.03484	5.0
187.03990	4.5
188.04440	0.4
189.01921	1.4
190.02721	0.8
191.03494	31.6
192.03841	1.5
193.08646	0.4
201.01875	0.9
203.03476	1.7
205.05066	1.2
219.02974	100.0
220.03317	4.7
221.04457	0.7
221.15370	0.4
231.02975	21.3
232.03305	1.3
247.02345	0.9
249.04054	1.0
275.01971	11.6
276.02301	1.0
293.03024	58.3
293.21204	0.6
294.03363	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	293.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79607	0.4
53.44775	0.4
54.42072	0.3
59.01383	3.2
63.55970	0.3
65.00325	0.8
68.99825	4.7
69.34310	2.7
69.34611	0.3
71.01366	0.7
72.99313	3.4
78.96809	0.4
83.01438	0.4
84.99297	0.4
87.00880	7.7
87.04492	0.4
89.02455	0.4
89.03953	0.5
93.03472	1.0
95.01392	1.5
96.99297	3.1
97.06594	0.5
98.19814	0.7
103.00347	0.5
105.03472	0.5
107.05042	1.5
108.02195	0.7
108.84484	0.3
109.02958	20.2
110.03259	0.6
111.00902	1.6
112.98820	2.6
116.24451	0.4
117.03455	1.0
119.05029	0.9
121.02959	3.2
123.00903	0.7
123.04512	2.1
127.00387	4.3
129.03508	0.4
129.59819	0.4
130.99855	0.6
131.05017	0.9
132.02206	0.6
133.02957	13.1
134.03755	13.0
135.04532	38.4
136.01628	0.6
136.04863	1.5
137.02448	14.7
137.03494	0.8
139.00378	16.5
139.04025	0.9
140.00705	0.7
145.02962	5.4
147.04494	3.1
148.05261	0.3
149.02426	0.8
149.06081	0.5
151.04007	2.2
154.99893	0.6
158.03793	0.4
159.04503	7.7
160.04861	0.4
161.02446	36.1
162.02786	1.9
163.04010	45.6
164.04312	1.9
173.02437	6.2
174.03059	0.7
175.03970	1.6
176.04605	0.3
177.01892	1.8
177.05554	3.4
178.02690	4.8
179.03494	7.9
181.47804	0.3
187.03998	4.6
189.01955	1.0
190.02704	1.1
191.03503	29.5
192.03848	1.3
201.01947	1.0
203.03490	2.0
205.05078	1.0
213.01851	0.4
219.02980	100.0
220.03340	4.5
221.04541	0.8
221.92130	0.4
231.02972	20.2
231.10382	0.5
232.03404	1.5
247.02464	0.8
249.04018	0.8
275.01962	10.4
275.09073	0.4
275.95285	0.3
276.02426	0.9
293.03043	58.1
293.10071	2.4
293.17599	1.0
294.03427	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	293.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79538	0.8
59.01389	1.7
63.22695	0.7
65.00337	1.2
68.99835	4.8
69.61742	4.9
72.99315	4.0
82.75056	0.7
87.00867	4.1
95.01399	1.3
96.99304	4.5
97.06592	3.1
99.00873	1.1
105.03467	0.7
106.04273	0.9
107.05048	1.2
109.02954	23.2
109.03678	1.6
111.00903	2.8
112.98846	1.6
117.03518	1.4
121.02960	2.8
127.00352	5.0
133.02946	12.0
134.03745	47.9
135.04539	37.0
136.01691	0.8
136.04893	1.6
137.02435	17.7
138.99300	1.0
139.00372	17.8
145.02954	5.0
147.04506	2.6
149.02390	0.9
151.04034	1.9
154.51344	0.8
159.04517	7.1
161.02443	32.9
162.02928	1.6
163.04007	48.5
164.04428	1.9
173.02434	5.6
175.04074	1.3
177.01941	3.5
177.05547	3.2
178.02710	10.5
178.71846	0.7
179.03487	6.5
187.04042	4.0
189.01982	1.0
190.02800	0.9
191.03499	30.5
192.03831	1.0
201.02048	0.9
203.03546	2.2
205.05005	1.1
219.02975	100.0
220.03346	4.6
231.02977	22.5
231.10300	1.6
232.03302	1.0
275.01965	10.3
275.09280	2.1
293.03030	63.4
293.10159	10.3
294.03452	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	293.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13710	0.6
59.01388	2.7
61.98838	6.4
65.00340	1.4
68.99816	4.4
71.01385	1.2
71.62567	0.7
72.99299	1.9
78.96816	2.1
79.95750	1.7
83.01408	0.9
87.00888	5.7
95.01396	1.1
95.95237	8.1
96.96000	0.9
96.99320	3.8
97.06595	0.8
101.00800	0.6
107.05039	1.7
109.02963	23.0
110.03314	0.7
111.00883	2.4
112.98837	2.4
117.03477	0.7
119.05029	2.2
121.02942	3.8
123.00835	0.7
127.00375	6.0
130.04237	0.7
130.22916	0.5
130.99867	0.6
131.05048	0.8
133.02016	1.0
133.02974	12.3
134.03760	11.0
135.04538	31.7
136.04871	1.1
137.02460	14.5
139.00389	16.8
145.02957	4.9
147.04536	2.4
149.02477	1.1
149.06194	0.7
151.00739	0.7
151.04010	2.0
159.04547	8.2
161.02452	33.6
162.02954	1.3
163.04018	44.0
164.04381	1.4
173.02429	7.1
175.03951	1.2
177.01892	1.3
177.05525	3.0
178.02780	4.1
179.03493	5.2
182.60950	0.6
187.04050	4.3
190.02679	1.2
191.03517	29.7
192.03804	1.7
201.01904	1.2
203.03516	2.3
205.05113	1.4
219.02994	100.0
220.03340	4.6
221.04527	1.0
221.15421	0.8
231.02997	21.5
231.06883	2.1
232.03391	1.5
236.10559	0.7
249.03932	0.9
252.06825	0.8
275.02002	10.4
292.19952	0.6
293.03052	56.6
293.10257	2.4
293.21283	1.3
294.03412	2.7
294.06448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30423	0.7
51.60148	0.7
53.19497	0.8
55.81516	0.8
57.74045	0.8
58.67238	0.8
59.01384	10.3
69.92340	4.2
71.01381	4.3
72.99300	3.0
82.02988	2.5
83.01398	0.8
85.02953	1.9
85.89783	0.8
87.00870	2.2
89.02448	1.6
93.03468	2.8
96.04551	1.2
98.06158	0.8
100.04040	1.2
101.02428	2.6
102.05608	34.3
103.05973	1.0
109.02972	2.0
117.03468	5.2
119.05028	96.5
120.05358	4.7
121.02931	1.1
126.30373	0.8
127.00348	1.2
128.03542	49.4
129.03883	1.2
130.08667	1.1
131.07149	1.6
133.02950	3.7
135.04498	4.8
136.21001	0.8
137.02426	1.2
139.00351	1.4
145.02956	35.2
146.04596	100.0
147.04662	2.9
149.02364	1.0
159.04503	2.1
161.02444	4.0
161.04572	0.9
161.06105	1.0
162.05597	1.9
163.04012	20.1
164.07199	0.8
172.02472	2.2
173.02423	1.1
173.06062	1.1
175.04044	2.1
176.04755	2.5
176.67902	0.9
177.01959	2.4
177.05527	1.2
177.09196	1.6
187.07663	7.7
188.07240	0.8
188.09262	1.2
191.03439	3.4
198.36946	0.9
202.06421	1.4
202.08727	6.3
203.10727	1.9
204.10222	2.1
205.08687	3.8
219.02960	9.0
219.10117	1.0
230.08215	3.7
231.03036	1.6
231.10327	7.8
233.08170	1.5
248.09174	4.9
249.11371	3.0
274.07220	10.1
275.01559	0.8
275.09366	7.4
292.08279	29.0
293.03171	4.3
293.12372	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	291.2332
Annotation	Grevillol
Peak:m/z	Relative Intensity
52.84358	0.6
59.01371	2.2
61.98831	1.1
69.31148	5.3
71.01392	0.8
74.53416	0.5
77.48097	0.6
78.55523	0.6
95.67466	0.6
98.19836	1.0
99.92592	0.5
122.82479	0.5
149.00975	1.2
161.06227	0.6
209.01320	2.0
213.12639	0.5
217.07253	1.1
233.33801	0.6
289.07480	1.5
289.21674	0.7
291.09116	47.6
291.12042	1.6
291.23294	100.0
292.09256	7.8
292.23615	8.6
303.06073	0.5
309.10165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.9
59.01376	1.9
59.78473	0.2
69.03448	0.5
69.65877	1.5
71.05010	1.9
77.40508	0.3
79.94041	0.2
80.02675	0.3
83.05025	0.8
85.06571	0.8
93.03452	0.7
95.05027	0.5
97.06573	1.0
107.05019	0.4
109.06567	0.5
111.08188	1.1
113.09688	0.3
119.05061	0.3
121.10223	0.7
123.08211	0.5
125.09713	1.0
135.08145	0.3
137.09567	0.2
140.74754	0.2
151.11247	0.5
156.13936	4.5
162.10515	0.3
163.11287	1.9
165.11549	0.4
165.12849	5.6
167.10707	0.3
175.11243	0.5
175.14969	0.4
176.45627	0.2
177.12849	0.6
179.14453	0.7
181.12314	0.9
185.11777	0.7
189.12953	0.3
191.14326	0.4
193.15952	0.8
195.13994	0.3
207.13953	0.5
209.11771	1.0
211.13406	0.6
217.15941	0.5
217.63649	0.2
219.13911	0.3
219.17499	0.3
223.13362	0.9
229.19556	1.2
233.15436	1.3
247.20654	4.9
248.20941	0.5
263.20117	5.1
264.20242	0.3
273.18607	4.4
291.19647	100.0
292.20001	10.4
292.22577	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	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01375	0.8
68.85457	0.6
70.92241	1.5
99.01038	0.6
106.04329	0.6
148.08946	1.2
150.10564	1.0
163.11250	1.5
165.12846	21.6
166.13168	1.3
175.11287	0.8
190.66943	0.5
191.14453	0.8
208.20348	0.6
210.94193	0.5
231.57167	0.7
247.20654	10.4
248.20996	0.9
273.18616	6.9
291.19653	100.0
292.19992	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
51.89482	0.4
59.01371	1.1
59.39436	0.4
63.54918	0.4
70.19454	1.7
73.02946	51.9
74.03271	1.1
99.04546	0.5
99.47456	0.5
165.12869	0.5
185.11717	0.5
224.57059	0.5
291.19647	100.0
292.20013	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01369	2.6
83.05032	1.1
95.05037	1.3
96.03717	0.6
98.20631	1.6
109.06528	0.9
111.08161	14.7
113.09731	0.6
137.09715	1.2
149.09610	1.0
167.10797	2.2
177.12854	2.4
179.10805	2.3
195.13904	6.9
196.14241	0.8
218.95679	0.7
229.16905	0.7
247.20667	3.1
273.18604	1.8
291.19650	100.0
292.19986	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88478	0.6
57.03448	1.5
59.01376	2.8
69.03460	0.7
70.92457	1.2
71.05025	6.9
95.05043	0.9
97.06586	2.5
100.31368	0.4
109.06601	0.8
111.08162	11.4
135.11786	0.5
137.09715	1.1
149.09694	0.9
162.68018	0.5
167.10785	2.3
177.12852	2.1
179.10738	2.2
181.12488	0.7
195.13896	5.6
207.13919	0.7
235.16862	0.5
243.41986	0.5
247.20706	2.8
273.18555	1.5
291.19656	100.0
292.20013	8.1
308.76804	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47424	1.7
59.01366	4.4
61.98832	1.8
69.40723	13.3
69.41370	1.7
71.01372	2.5
73.02946	2.7
73.76366	1.8
95.07794	1.8
97.06596	100.0
98.06932	5.9
111.95923	1.8
149.13408	1.7
171.10239	2.1
183.13927	4.7
193.12343	32.8
194.12964	3.1
211.13391	78.8
212.13785	4.3
236.69176	1.6
247.20486	2.1
263.20193	4.6
273.18616	7.8
291.12457	2.9
291.19666	91.1
292.20120	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
57.61904	0.5
77.63596	0.5
80.33481	0.5
91.70744	0.5
93.07102	1.3
97.06591	2.6
100.78860	0.8
111.08176	1.0
121.10236	15.8
123.08117	1.1
125.09721	7.3
141.12859	0.8
145.49174	0.6
159.14142	0.6
161.09610	0.6
176.77477	0.6
185.11824	14.0
197.11835	3.4
209.11816	1.7
211.13441	1.8
247.13429	0.7
273.18546	1.7
291.19647	100.0
292.20004	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	290.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	79.6
68.03183	46.7
72.99302	100.0
83.95416	39.9
291.12448	87.8
291.19525	61.8
295.01071	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	291.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28389	0.5
53.95139	0.5
55.01872	1.5
55.17694	0.4
57.03446	5.3
59.01384	6.9
69.03455	2.7
71.01382	100.0
72.01726	1.8
72.99315	0.8
73.02947	7.7
80.96490	0.5
82.02987	0.9
83.01394	7.1
83.01884	0.8
85.02950	25.9
85.06583	0.7
86.03288	0.7
87.00873	2.1
89.02441	0.5
95.01403	1.9
98.20720	0.8
99.00880	2.3
99.04499	0.6
99.20802	0.4
101.02448	16.2
101.06092	1.6
102.05611	2.2
103.00368	0.8
103.04015	5.5
113.02460	7.3
119.05019	5.5
125.02465	0.9
128.03520	2.9
129.05573	2.6
143.03516	0.7
143.04570	0.5
145.02963	2.0
146.04591	5.0
147.06631	71.6
148.06981	1.8
159.02983	0.6
159.04594	0.5
159.10309	1.5
161.04578	1.1
163.03978	0.6
175.07600	0.7
187.07498	0.5
192.01250	0.7
201.07684	0.9
229.08600	0.4
246.07703	0.8
247.09637	0.6
248.09338	0.6
274.07159	1.3
291.04965	0.5
291.10785	10.1
291.13522	0.7
292.08264	1.8
292.11261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.6
67.05534	0.6
71.00230	1.5
81.03444	0.8
83.05022	1.3
95.05031	1.9
97.06596	1.5
106.04242	0.9
107.10223	0.5
109.06578	1.6
119.05065	0.7
119.08665	2.3
121.06604	1.3
121.10245	1.0
123.08159	1.2
125.09743	1.4
131.05035	1.0
145.06584	0.7
147.08134	0.6
148.08937	0.9
149.09709	0.8
150.10411	0.6
151.11354	0.8
159.08118	0.7
161.09691	1.6
162.10532	1.5
163.10004	1.0
163.11293	13.5
165.12843	1.5
174.10506	0.6
175.11223	0.7
177.12804	1.8
189.12802	1.0
191.14417	19.5
192.14783	0.8
217.15945	2.6
227.17935	0.9
243.17467	1.4
245.19113	36.1
246.19547	3.1
247.17068	0.9
271.17065	4.4
289.18106	100.0
290.18475	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09061	0.6
57.03445	2.6
59.01382	4.9
60.30816	0.6
67.05528	1.9
69.03439	1.0
71.04993	0.8
71.61331	1.2
74.78320	0.6
78.24524	0.7
83.05019	1.6
93.03452	3.7
106.04269	1.0
107.04990	0.9
109.06593	13.5
111.08150	6.8
119.30350	0.7
121.06559	0.8
121.10221	1.6
133.10294	0.7
137.09715	2.0
151.11285	0.9
163.11295	1.0
167.10753	1.8
177.12819	2.1
179.10754	2.0
181.29523	0.7
193.12317	2.1
195.13889	7.1
197.45656	0.8
203.10716	1.3
221.11838	1.1
227.82210	0.7
245.19112	6.3
271.17020	5.6
289.18082	100.0
290.18402	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	289.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	3.9
59.01381	100.0
60.01714	2.2
66.64851	1.0
68.38929	1.0
71.01373	1.2
72.99309	7.2
73.02931	1.3
86.09974	1.3
87.00877	50.0
103.00377	60.9
109.02962	1.4
112.98791	3.4
119.04956	1.4
124.04056	1.7
125.02450	1.3
125.03532	2.0
130.99863	31.8
143.20909	1.0
151.67285	1.1
157.08690	12.4
158.09081	1.4
161.06041	1.1
171.06549	1.4
174.01688	2.4
178.41486	1.0
183.04498	2.8
201.05431	1.0
213.09271	5.1
245.12906	1.3
264.44058	1.1
271.10895	3.0
285.04001	4.4
289.04184	1.1
289.06638	1.4
289.09448	3.3
289.12323	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	289.1195
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
59.01384	1.2
59.57629	0.6
59.79497	0.7
69.47836	4.6
75.16347	0.6
80.05068	1.8
82.31311	0.7
92.05077	6.1
94.02988	0.9
94.06622	16.2
95.05045	0.7
98.19824	0.7
104.05086	4.9
105.03477	4.7
106.03012	1.1
106.06632	48.8
107.03774	1.9
107.06958	1.6
108.04560	5.2
110.02448	1.1
120.04560	19.2
121.05373	5.2
122.02496	2.1
122.06127	50.2
123.03272	9.7
123.04263	0.7
123.04473	0.6
123.06477	1.3
124.07702	2.0
131.03769	1.5
132.04559	12.8
134.16254	0.7
135.03305	0.9
135.04549	1.0
136.04065	1.9
138.05614	84.0
139.05959	2.1
140.07187	5.5
147.04556	0.7
148.04066	4.3
150.05608	25.3
151.05821	0.8
158.09811	0.9
159.06900	3.5
159.21007	0.7
163.03978	0.7
166.03856	0.9
166.05116	8.4
172.07780	0.9
172.11395	0.7
173.08420	3.4
174.12860	4.2
184.11288	3.2
188.07153	3.3
189.07956	8.4
190.08263	0.9
191.03516	2.1
197.07208	1.7
198.08000	2.2
199.08597	0.8
200.05864	1.0
200.10880	1.3
201.09555	0.8
202.08740	2.0
202.12392	8.7
203.09541	3.3
212.09511	1.6
213.06587	3.2
214.07471	1.7
215.11847	10.0
216.10318	0.9
217.07423	17.2
218.11813	0.8
225.10300	1.3
226.07423	2.3
227.08374	1.6
227.11871	2.4
228.08870	2.1
228.10625	1.2
229.09685	3.4
231.09013	7.3
231.11359	2.3
241.06241	0.8
241.09813	12.5
242.10367	1.4
243.11394	15.4
244.11737	1.0
245.04597	1.0
246.11366	10.2
253.09731	1.3
256.08752	1.0
259.10849	7.3
265.12845	0.7
271.10886	24.8
272.11273	2.1
289.11945	100.0
290.12296	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
51.43659	0.5
53.81671	0.7
56.11655	0.6
57.03448	5.1
59.01377	4.6
62.73430	0.6
69.03458	1.9
71.61483	0.9
73.02953	0.7
74.82748	0.6
80.02665	1.0
81.03463	5.7
83.01387	6.6
83.05029	0.6
85.02955	0.6
87.00869	1.4
93.03446	3.5
95.01390	1.5
95.05032	7.4
97.02945	12.9
99.04496	1.4
103.00384	0.7
107.05025	1.0
108.02171	2.3
109.02951	51.9
110.03278	1.2
111.04500	0.8
121.02953	6.6
122.03748	2.6
122.06085	1.1
123.00897	0.7
123.04520	36.5
124.04858	1.5
125.02448	30.9
126.02833	1.0
133.02925	1.2
135.04515	4.8
137.02448	15.6
138.03180	2.6
139.04008	7.3
143.10757	1.1
145.02939	2.1
146.03729	2.3
147.04500	1.2
149.02419	8.2
150.03166	1.4
151.04002	18.9
157.06569	0.8
157.08687	0.8
158.03723	0.6
159.04489	6.5
160.05298	3.5
161.02422	2.1
161.06084	7.9
162.03195	2.8
163.03996	2.9
164.01161	6.2
165.01953	5.5
166.02666	1.2
167.03484	3.7
171.10252	2.2
173.02428	0.8
173.06064	2.5
174.03235	1.2
175.03967	4.2
175.07614	3.3
177.05518	1.1
179.03479	12.2
180.03917	0.7
184.05132	0.7
185.06096	1.9
186.06870	0.7
187.03990	7.8
188.04810	7.0
199.07603	1.3
201.05565	2.5
202.06364	2.5
203.03757	0.8
203.07129	21.4
204.07414	0.8
205.05022	14.0
205.06779	1.0
206.05405	0.8
212.04791	1.3
217.04996	0.8
217.08661	1.1
221.08186	7.7
227.07133	4.3
229.05029	0.9
230.05753	1.1
231.02948	1.3
236.79790	0.6
245.08185	38.4
246.08455	2.6
247.05992	2.0
269.91245	0.6
271.06143	1.6
285.04086	1.7
289.07172	100.0
290.07434	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	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
58.06409	0.3
59.01390	0.3
60.30505	0.3
61.97221	0.3
64.89764	0.2
66.48214	0.2
69.81403	1.6
81.03468	1.4
92.05059	1.2
93.03434	1.5
98.32283	0.3
99.92556	0.6
107.03774	0.5
108.02180	0.7
108.04563	4.0
109.02962	5.5
113.56326	0.4
115.92055	0.3
121.02968	0.6
124.01669	0.4
134.02481	41.0
135.03308	8.5
136.04047	39.8
137.02467	1.8
137.04341	1.2
148.04019	0.9
149.04811	1.1
164.03522	0.4
168.35896	0.3
176.03539	6.0
176.07162	0.4
177.04288	0.5
181.03880	0.4
190.05109	0.6
204.06619	0.4
260.16541	0.4
288.16043	100.0
289.16251	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.0
58.45763	0.5
59.01374	2.8
59.42970	0.6
60.00621	0.6
61.88762	0.6
65.03989	0.7
71.00204	1.1
77.99883	0.6
83.04996	0.7
83.13245	0.5
97.06593	1.7
97.89527	0.6
99.92577	1.5
102.04765	2.7
103.65540	0.5
109.02948	0.6
115.05530	4.2
116.92889	0.6
117.07108	100.0
118.07452	4.0
118.32938	0.6
119.08674	1.1
123.08192	1.3
125.02415	0.8
125.09724	11.6
126.10072	0.6
131.50343	0.6
143.05072	0.7
147.08165	0.9
160.09016	0.6
169.08765	0.9
171.08107	0.7
189.09074	0.6
231.13991	1.7
243.17575	1.7
267.56702	0.7
269.15421	0.9
287.16534	84.8
288.16846	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	287.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.3
69.78378	0.7
81.03467	1.2
83.32817	1.0
91.05527	1.8
94.89823	0.9
95.05042	4.1
96.96034	1.1
97.06642	1.2
97.82672	0.9
99.92589	1.9
107.05038	1.6
109.06602	6.1
112.50121	0.8
115.92086	1.0
116.92882	0.9
117.07109	13.9
121.06580	2.2
121.10242	1.1
123.08138	4.0
125.02455	5.7
125.09706	2.1
133.10216	1.2
135.08133	1.4
145.06647	1.2
147.08200	5.3
149.09724	1.8
159.08173	1.5
159.36227	1.0
161.09721	1.6
171.08147	1.3
173.06169	1.1
173.09662	1.2
175.11372	1.3
177.09055	1.6
185.09787	1.3
189.12927	4.8
208.05721	1.0
243.17529	25.2
244.17960	1.5
244.60197	1.1
269.15427	1.5
287.16544	100.0
287.22211	5.1
288.16867	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98703	0.5
59.01372	2.5
62.02079	0.6
69.37011	5.7
71.01394	1.0
74.02472	0.8
77.02094	0.6
82.02973	0.8
87.00874	1.4
98.20684	1.3
109.02950	0.7
110.02526	0.6
113.06129	0.6
122.06048	0.6
125.02438	3.5
132.04613	1.6
135.04530	0.9
144.04575	0.8
145.04103	1.8
157.07706	2.2
160.00735	2.2
172.26283	0.6
173.03558	5.8
177.05748	0.7
181.07669	1.5
183.05638	13.7
184.06012	0.8
199.08891	1.0
207.40817	0.6
215.04619	38.1
216.04907	1.9
225.06653	1.2
243.07819	5.8
252.77086	0.7
259.06094	2.1
271.08829	0.6
287.06744	100.0
288.07028	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	287.0926
Annotation	Loureirin D
Peak:m/z	Relative Intensity
54.63521	0.8
55.26677	0.8
59.01382	1.7
65.03973	2.9
66.29839	0.8
69.27572	1.0
69.27972	6.2
82.84921	0.7
84.87213	0.6
91.05539	12.4
91.06099	1.0
93.03455	2.9
108.02202	1.1
109.02962	34.2
110.03357	1.0
121.02958	20.1
122.03329	0.9
123.00909	2.3
124.01674	2.6
125.02477	3.5
133.03033	0.7
134.03819	0.7
135.04532	100.0
136.01680	2.8
136.04837	3.5
137.02431	1.8
138.03197	1.4
139.04015	2.5
147.03442	0.6
147.04538	3.3
149.02393	3.4
150.03232	56.9
151.03639	2.1
159.54454	0.7
162.03241	2.0
163.03967	6.0
165.05574	28.0
166.05943	1.0
177.05597	1.4
189.05688	0.6
201.05666	0.7
202.06294	1.7
213.05586	1.1
224.04785	1.0
228.07837	0.9
243.03067	0.9
254.05838	1.6
255.06612	3.8
257.04620	6.6
257.08124	2.6
271.06122	2.0
272.06888	18.7
273.07098	1.0
287.09256	89.7
287.16187	2.9
288.09555	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.45100	0.3
59.01350	0.4
63.13467	0.3
65.49957	0.4
70.02975	1.1
70.58670	0.8
70.59054	0.8
74.06107	2.2
86.21718	0.3
88.42638	0.3
89.15273	0.3
98.87923	0.4
105.45367	0.4
115.05535	0.7
117.07109	19.6
118.05087	1.1
125.09713	1.0
131.92021	0.4
143.04984	0.5
240.23276	3.5
242.21265	1.4
243.17522	1.1
245.15419	0.4
268.22906	0.8
269.15475	1.0
284.22302	0.8
286.04300	0.8
286.23886	100.0
287.16550	13.4
287.24286	7.7
292.77792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2073
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
53.94613	0.5
57.03454	0.8
59.01370	1.6
69.27406	4.7
71.01379	0.5
74.17105	0.5
78.95937	0.8
83.69666	0.5
133.02953	0.9
221.19081	0.9
223.20670	66.6
224.21007	4.8
241.21735	2.1
266.51910	0.5
267.19647	36.2
268.20044	2.8
285.04138	3.6
285.20724	100.0
285.27005	3.2
286.21033	8.1
291.88220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0768
Annotation	Calythropsin
Peak:m/z	Relative Intensity
59.01381	1.0
68.99815	0.6
69.33311	3.1
69.33717	0.9
72.47014	0.5
75.00854	2.5
78.95919	0.9
87.04556	0.5
89.28117	0.5
91.01897	4.5
93.03465	0.5
98.20594	0.8
107.01431	0.5
108.02178	1.1
109.15892	0.4
112.47374	0.5
121.02955	14.8
122.90099	0.4
133.02945	2.2
133.96501	0.5
134.03758	0.6
135.00847	2.6
148.01668	62.6
149.02007	2.1
153.01935	2.0
161.02438	4.0
163.04022	2.2
171.04460	0.5
172.05350	0.5
174.03268	0.6
178.62712	0.5
183.04602	0.8
183.13911	1.2
187.04039	0.8
197.06064	1.9
198.06850	1.3
199.03979	3.4
200.04770	4.1
201.05490	1.5
202.06335	1.5
210.03227	1.3
211.04033	1.1
211.13414	1.1
213.05583	1.4
214.06432	0.5
215.07100	0.8
224.04778	1.0
225.05612	3.9
226.02698	0.7
226.06393	3.9
227.03494	3.0
227.12823	0.7
228.04181	0.7
241.05042	10.4
242.05792	3.4
253.05084	2.3
255.02979	72.6
256.03308	4.8
269.04529	17.4
270.05316	45.9
271.05606	2.9
284.26773	4.1
285.04184	6.0
285.07660	100.0
285.26926	2.2
286.04916	0.5
286.08005	8.2
286.11014	0.9
300.71097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
51.54449	0.4
52.92307	0.4
69.84657	2.4
81.03455	0.5
95.93157	0.5
108.02177	100.0
109.03000	17.0
110.03284	0.8
121.02940	0.5
123.04547	1.5
124.00716	2.2
133.02951	0.9
135.04565	0.5
151.03990	1.0
152.01157	66.1
153.01947	31.9
154.02283	0.9
163.03992	1.0
165.01900	1.0
267.11191	0.5
284.26703	1.4
285.06152	65.3
285.26993	0.6
286.06534	3.5
306.53122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.54685	0.1
53.83011	0.1
63.02399	0.9
65.00324	2.7
71.06390	0.3
76.59631	0.2
78.57104	0.2
83.01395	1.5
84.81850	0.2
105.03445	0.8
107.01391	5.0
121.02943	1.0
121.65282	0.2
130.84628	0.2
132.02187	0.3
133.02956	28.3
134.03288	1.4
143.05038	0.4
147.04526	0.5
149.02451	3.3
150.02707	0.2
151.00368	9.5
152.00710	0.3
157.02943	0.2
169.01392	0.2
169.06558	0.2
171.04477	0.5
174.03156	0.4
175.04018	4.8
176.04221	0.3
185.06093	0.7
187.03984	0.3
189.05457	0.2
197.06053	0.5
198.03188	0.7
199.03972	4.1
201.01941	1.5
202.02380	0.2
211.03958	0.2
213.05559	0.8
214.02684	0.2
215.03488	0.7
217.05023	2.1
223.03922	0.5
229.05043	0.3
239.03432	0.3
240.04256	0.3
241.05016	1.5
242.02090	0.2
242.05263	0.2
243.02988	1.2
257.04581	0.6
267.02991	0.5
284.26755	0.3
285.04034	100.0
286.04370	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
61.35678	0.3
69.65394	0.7
69.65798	1.7
70.64979	0.3
73.47580	0.4
80.95089	0.4
107.05029	100.0
108.05373	3.4
123.04497	0.6
147.08189	0.5
163.11288	95.7
163.98454	0.4
164.11609	4.9
283.17035	81.1
283.26373	25.0
284.17368	6.5
284.26743	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0397
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.25904	0.3
57.03444	0.4
59.01368	1.2
61.79489	0.3
63.02407	2.4
65.00323	3.0
71.01373	1.4
73.02953	2.6
80.18898	0.3
83.01380	2.2
85.02972	0.4
87.04501	0.7
99.04503	0.7
105.03454	0.9
107.01391	4.0
109.02957	1.3
121.02939	1.8
126.80250	0.4
132.02170	0.4
133.02956	23.8
134.03325	1.0
135.04510	0.3
139.15085	0.4
143.05006	0.4
149.02435	3.3
151.00366	7.4
152.00592	0.6
171.04515	0.9
173.02470	0.4
173.06038	0.5
174.03064	0.4
175.04027	4.9
177.01820	0.5
185.06122	0.6
195.13919	0.8
197.06076	0.6
198.03191	0.6
199.03983	3.7
201.01907	2.0
211.03951	0.5
213.05566	0.7
215.03522	0.7
217.05037	2.1
223.04048	0.5
229.05020	0.7
239.03490	0.4
240.04221	0.4
241.05052	1.4
243.02895	1.4
257.04391	1.0
267.02844	0.5
270.05240	0.7
284.26782	1.2
285.04037	100.0
285.17026	7.1
285.27032	0.8
286.04379	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	282.0845
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01379	0.8
62.07068	0.2
66.00986	0.8
69.31180	0.2
69.77966	0.5
69.78372	0.7
71.01389	0.6
72.01736	0.3
78.00990	0.3
82.04121	1.0
84.84826	0.2
85.02954	0.4
86.03291	0.2
98.10381	0.2
98.19962	0.2
101.02436	0.4
106.86823	0.2
107.03649	3.4
108.02048	8.6
109.02426	0.2
118.20288	0.2
119.03490	0.2
126.03104	5.5
133.01570	28.4
134.01918	0.7
150.04218	100.0
151.02643	0.5
151.04684	2.2
152.00949	0.2
164.05927	0.2
171.41084	0.2
183.53712	0.2
218.65416	0.2
220.25029	0.2
272.25266	0.2
282.08438	29.2
283.08704	1.8
283.26483	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	283.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
62.82883	0.3
69.60622	2.7
74.81435	0.4
85.34723	0.4
91.01872	2.1
98.20583	0.8
108.02193	1.1
132.02199	0.5
135.00882	4.1
137.09740	0.9
148.01665	5.6
153.01920	1.0
156.05827	0.9
160.01712	1.2
183.04555	1.9
184.05269	4.9
195.04485	3.0
196.05254	2.0
198.03119	0.5
211.03993	17.2
212.04678	3.0
223.04041	1.9
224.04817	3.8
239.03488	11.7
240.04257	6.8
240.13336	0.4
241.04562	0.7
241.13457	1.6
251.03580	0.9
267.02979	4.2
268.03760	100.0
269.01410	0.7
269.04114	7.0
283.06107	58.9
283.23288	0.6
283.26401	11.6
284.03253	1.3
284.06451	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	281.2122
Annotation	12(S)-hydroxy-16-Heptadecynoic Acid
Peak:m/z	Relative Intensity
57.03444	1.0
59.01379	4.0
69.78078	2.1
69.78490	0.7
83.05026	1.1
86.89299	0.3
90.60740	0.3
90.96568	0.3
99.08172	2.7
109.02969	0.5
161.02534	0.4
177.12852	0.9
179.14398	1.4
181.12291	0.5
195.13892	21.6
196.14259	1.3
203.98903	0.5
205.16048	1.0
219.21097	0.5
263.20129	19.7
264.20578	1.5
281.21210	100.0
282.21582	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.0
55.45904	0.8
57.03431	3.6
58.00586	2.6
59.01381	86.5
64.90935	0.9
69.78548	5.2
71.01384	77.6
72.01740	1.2
72.99293	4.6
73.02949	18.2
75.00847	1.3
79.34054	0.8
82.04091	1.2
83.01385	10.8
85.02954	27.5
87.00878	4.2
87.04512	4.4
89.02447	47.1
95.01368	5.3
97.02950	1.4
98.19931	1.8
99.00867	7.4
101.02447	71.5
102.02764	1.0
107.03654	4.5
107.89811	0.9
108.02036	8.4
108.14302	0.8
113.02452	34.5
119.03503	17.1
119.07148	9.9
123.04550	1.1
126.03065	3.8
131.03484	1.4
133.01572	28.6
143.03479	3.4
149.04547	1.4
150.04214	100.0
159.02972	4.3
161.03206	2.1
161.04547	30.8
162.04912	1.0
179.05600	4.7
281.12415	20.2
281.24554	1.5
282.08435	25.7
291.50464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88003	0.9
55.01880	6.8
57.03461	4.9
58.00591	5.8
59.01381	100.0
62.56716	0.9
63.29760	1.1
69.77155	1.9
69.77573	4.5
71.01385	96.5
72.99303	5.1
73.02947	21.4
75.00877	1.6
82.04067	1.3
83.01385	13.0
84.02138	1.1
85.02435	2.0
85.02954	37.1
87.00865	3.8
87.04523	4.9
88.98405	1.1
89.02448	53.0
93.03459	2.5
95.01382	5.8
97.02956	1.8
98.20597	1.8
99.00878	9.6
101.02446	80.0
102.02771	1.4
104.14241	1.0
107.03619	4.3
107.05389	1.0
108.01471	0.9
108.02053	8.2
108.04467	1.1
109.02917	1.2
113.02454	37.9
119.02739	1.9
119.03506	21.6
119.04947	1.6
119.07154	12.8
125.02454	1.9
126.03078	4.0
133.00575	1.9
133.01575	36.6
135.04546	1.3
143.03506	6.9
149.04514	1.3
150.04219	98.8
159.02991	6.9
161.04555	42.4
179.05585	3.7
281.06723	2.7
281.12396	26.4
281.24692	1.3
282.08481	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0455
Annotation	Damnacanthal
Peak:m/z	Relative Intensity
59.01381	2.1
60.96088	0.3
67.21723	0.3
69.43678	1.2
69.44119	1.2
87.00842	0.4
88.04057	0.6
91.01890	2.9
91.02303	0.3
98.05888	0.3
117.03484	0.8
119.05188	0.2
119.74950	0.3
132.02155	0.9
132.03049	2.9
133.02956	2.6
135.00871	3.2
135.04546	0.5
143.05029	0.4
152.48047	0.3
153.01886	0.6
161.02441	0.9
167.05003	1.3
169.06580	1.1
179.03552	0.4
180.05815	1.7
181.06548	0.9
183.04515	0.6
185.06070	0.9
195.04495	2.9
196.05266	1.8
197.06046	2.7
207.04631	0.4
208.05272	3.5
209.06076	5.2
210.03203	0.6
210.06468	0.3
211.04012	1.5
223.03978	4.3
224.04738	5.2
225.05540	5.0
239.03566	0.4
251.03511	3.9
252.04247	5.8
253.05046	50.6
254.05367	3.1
279.02850	1.7
280.03714	0.6
281.04529	100.0
281.24844	0.8
282.04895	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
54.51217	0.2
55.71605	0.1
57.86747	0.1
59.01367	0.5
71.01411	0.2
82.98167	0.1
83.14655	0.2
104.65716	0.2
131.87263	0.2
140.27437	0.2
240.97873	0.2
261.22351	0.3
276.66678	0.2
279.23285	100.0
280.23645	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	279.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23132	0.4
52.56696	0.4
55.21363	0.4
65.22438	0.4
70.30302	1.2
70.30709	0.7
81.75045	0.4
84.70774	0.4
101.23058	0.4
183.07434	0.3
222.77864	0.4
232.28580	0.4
261.22284	0.6
279.23279	100.0
280.23627	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0456
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
52.59667	0.3
59.01377	2.3
60.18117	0.4
69.78571	1.5
91.01897	2.8
93.03463	0.5
96.96005	1.2
113.83450	0.3
114.93899	0.3
117.03458	0.8
125.12347	0.3
132.02185	1.3
133.02959	2.1
135.00900	3.0
139.52661	0.3
143.04965	0.7
153.01933	0.9
161.02419	0.4
167.05035	0.8
169.06601	1.1
176.03423	0.3
180.05779	1.5
181.06564	0.9
183.04596	0.6
185.06087	1.1
195.04543	2.5
196.05263	2.0
197.06058	2.3
208.05289	3.4
209.06058	4.5
210.03218	0.4
210.06343	0.5
211.03970	1.5
223.03984	3.6
224.04742	5.0
225.05537	5.5
235.04041	0.4
237.05579	0.5
237.14980	0.6
238.06363	0.5
251.03479	3.8
252.04259	4.8
253.05058	51.9
254.05396	3.5
265.05026	2.2
265.53040	0.4
266.05804	4.0
274.62384	0.3
279.03046	1.7
280.03662	0.5
281.04556	100.0
281.07779	4.5
281.24796	2.0
282.04919	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	279.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40983	0.2
55.08200	0.3
59.01371	1.5
62.91446	0.3
70.47710	0.2
71.61279	0.4
77.12685	0.3
84.13616	0.3
95.95451	0.3
96.96024	2.8
167.00087	0.6
206.62848	0.4
235.10057	4.5
236.10410	0.6
261.22180	0.7
279.16702	7.6
279.23282	100.0
280.16522	0.3
280.23642	9.3
302.33563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01381	1.3
70.63628	0.6
96.96018	1.8
115.92101	0.2
147.04492	0.3
149.72206	0.2
153.70917	0.2
171.61818	0.3
202.49988	0.2
207.81955	0.2
248.25269	0.2
251.40631	0.2
261.22208	0.5
279.17023	2.1
279.23276	100.0
280.23621	9.8
280.26105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
59.01373	2.2
70.18532	2.2
71.01385	0.8
81.03429	0.6
84.92321	0.5
96.96007	0.9
97.06595	0.8
147.04501	1.0
171.10266	0.6
179.14395	1.1
181.12389	0.6
195.13899	13.7
196.14395	1.0
205.12376	1.3
205.15898	0.9
211.13451	1.1
217.19547	0.8
223.13387	10.0
224.14034	0.9
228.13628	1.9
256.13202	4.7
261.18594	9.2
271.94211	0.6
278.98239	0.7
279.19644	100.0
280.19962	6.3
295.42355	0.6
301.00305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
51.57198	0.5
57.03455	3.2
58.36494	0.5
59.01382	5.0
67.43806	0.6
69.43304	1.9
69.43722	3.3
71.01372	1.3
83.05034	0.9
96.96029	3.7
99.08160	24.0
100.08464	0.7
103.00369	0.8
107.52512	0.7
123.08145	1.5
125.09742	2.7
147.04546	0.9
149.09743	0.9
167.10776	2.9
171.10298	0.7
179.10811	2.7
195.13966	2.8
235.16954	4.0
235.20676	2.2
261.18607	2.0
279.16449	4.5
279.19675	100.0
279.23218	17.3
280.20026	6.9
280.23349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1084
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
55.01862	1.4
56.84222	0.8
57.03453	1.3
58.00595	4.0
59.01380	100.0
63.74591	0.8
70.46690	2.8
70.47038	0.9
71.01385	59.9
71.05029	1.6
72.01736	1.3
72.99314	5.6
73.02963	2.1
83.01405	3.4
85.02953	11.2
86.07090	0.8
87.00871	3.3
89.02445	72.2
90.02831	1.6
90.88441	0.8
93.03468	1.7
95.01382	5.4
96.95998	1.4
99.00913	1.1
99.04524	3.0
101.02446	36.7
109.02958	1.0
113.02445	23.4
117.05584	6.0
119.03504	35.1
119.05032	4.2
125.37983	1.0
131.03461	2.3
131.05028	1.3
134.03673	1.3
143.03488	3.4
143.05115	1.3
145.06657	2.5
147.04570	1.2
149.04553	2.4
160.02650	3.9
161.04587	2.8
163.04041	2.8
173.06075	6.7
176.04628	2.6
179.05600	2.7
191.07088	1.1
205.05072	4.0
219.03146	1.0
261.04016	2.6
279.05292	11.5
279.07959	2.1
279.10886	40.3
279.13525	2.4
279.23184	4.5
280.11234	2.6
300.80225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.6
66.03841	0.4
71.01398	4.8
72.00918	7.7
72.99297	0.7
73.02945	1.8
74.02484	2.9
75.00852	0.5
80.96508	0.5
83.01397	0.8
85.02940	2.4
87.00886	0.8
89.02451	1.6
92.02547	0.8
93.03461	0.6
96.96024	1.2
98.19897	0.7
98.80160	0.4
99.00902	1.3
100.00410	17.4
101.02442	4.0
107.03660	2.2
113.02457	2.1
117.02080	1.4
118.05103	8.2
119.05025	2.0
126.04372	0.8
134.04735	30.0
144.03043	7.6
147.04526	2.4
148.05325	0.9
149.06071	1.0
154.01021	0.5
154.48384	0.5
157.72389	0.5
160.02650	100.0
161.02942	2.4
161.04514	1.4
163.04021	2.3
164.07198	1.5
175.03954	0.6
177.05455	0.6
191.07173	0.5
205.05064	2.0
217.04857	0.7
219.03012	1.3
235.06029	1.3
261.08911	0.9
279.05606	0.9
279.08676	3.7
279.11469	0.8
279.23282	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	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	5.2
59.01378	100.0
62.15942	1.9
62.52137	2.1
68.17149	2.1
72.99303	4.5
79.68407	2.0
87.00882	31.1
98.20649	4.9
103.00378	48.0
112.98834	1.9
125.83244	1.9
130.99870	22.3
147.04529	95.8
148.04845	4.4
152.92726	2.2
183.59596	2.3
288.44025	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	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01628	1.4
53.18141	1.2
56.92083	1.2
59.01369	3.6
69.76157	7.5
71.01388	17.7
72.99307	3.1
78.59579	1.1
85.00373	1.3
85.02904	1.5
87.00889	3.0
89.02432	1.9
98.66613	1.3
112.63353	1.2
112.98781	1.7
115.00368	36.3
119.05025	37.9
120.05382	1.2
131.32867	1.2
133.01434	100.0
134.01755	1.9
138.32176	1.3
147.04517	19.7
163.02719	2.1
163.04010	32.1
163.19315	1.2
164.04330	1.4
199.06804	1.1
258.86633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92285	0.9
58.00594	4.8
59.01381	100.0
69.46262	1.0
71.04989	1.1
72.99306	7.5
73.56396	1.1
87.00880	47.4
89.30787	1.0
96.96030	1.7
103.00378	65.5
106.02236	1.1
112.98798	4.0
130.99870	33.3
147.04527	54.4
148.04865	1.9
279.12457	1.9
279.15842	1.8
279.23325	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14352	1.1
58.00600	3.2
59.01379	100.0
60.01730	1.2
61.10543	1.2
69.26865	11.6
69.27199	1.5
72.99312	3.6
87.00877	39.0
95.08231	1.0
98.20612	2.9
103.00376	59.0
103.05546	1.4
109.80837	0.9
112.98788	2.7
130.99870	26.2
141.39090	1.3
147.04526	40.0
148.04863	1.5
157.48109	1.0
223.62502	1.1
243.82837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
64.44633	0.7
71.01385	19.5
71.31195	1.7
77.21211	0.7
82.29333	0.6
84.72623	0.7
85.52969	0.6
88.04047	3.0
93.03465	1.2
115.00370	10.6
117.03400	0.9
119.05029	64.1
120.05338	2.1
132.03030	2.9
133.01448	10.7
145.02940	1.1
147.04553	2.2
148.38686	0.7
156.68558	0.7
163.04012	100.0
164.04333	4.8
168.72208	0.8
173.98843	0.7
219.02930	1.4
234.05272	1.7
249.07594	1.5
264.60645	0.8
279.08670	1.1
280.08368	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47717	1.3
53.46354	1.4
58.00602	3.8
59.01381	100.0
68.58500	1.3
69.47284	11.8
72.35065	1.3
72.99310	4.6
87.00877	33.8
103.00373	46.5
103.05543	4.0
104.00671	1.5
104.90819	1.3
112.98786	2.0
113.20759	1.5
123.87494	1.4
130.99875	21.9
136.58292	1.5
147.04523	95.1
148.04855	4.0
162.62285	1.3
216.05965	1.4
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
59.01372	0.8
69.91096	1.3
224.55458	0.2
233.22717	0.4
275.20065	0.4
277.21701	100.0
278.22061	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.7
71.01372	0.6
83.05032	0.3
87.67404	0.2
98.20663	0.4
113.02377	0.2
128.39655	0.2
155.27835	0.2
212.73747	0.2
233.22784	0.5
259.20691	0.5
275.20248	0.5
277.21701	100.0
278.22049	8.6
289.77921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44211	0.2
53.81517	0.2
54.19106	0.2
59.01377	3.0
67.97105	0.2
71.01377	0.7
71.17215	0.4
71.38992	0.2
78.34962	0.2
83.05026	0.3
85.70186	0.2
112.78996	0.2
123.80125	0.2
127.07648	0.4
188.22578	0.2
205.15919	0.6
233.22552	0.5
259.20697	0.4
277.18332	6.2
277.21713	100.0
278.18735	0.4
278.22058	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.7
70.18121	0.7
70.18520	0.9
71.01385	0.6
98.20538	0.6
106.89016	0.4
128.72908	0.4
140.66498	0.4
205.16031	0.4
215.75360	0.4
233.22728	1.0
259.20856	0.6
277.18408	3.8
277.21713	100.0
278.22058	7.9
283.85388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99157	0.3
59.01384	1.7
66.51620	0.3
67.08783	0.3
71.01379	1.1
83.74382	0.3
93.83915	0.4
97.06577	1.2
97.46288	0.4
99.04498	0.4
105.88793	0.3
121.02966	0.4
127.07608	0.4
138.99515	0.3
145.02863	0.4
167.10693	0.3
195.13847	0.7
229.95993	0.3
229.99306	0.5
259.20590	0.7
275.20178	0.6
277.18265	7.6
277.21695	100.0
278.18475	0.9
278.22028	8.3
280.90945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
59.98480	0.2
71.01376	0.5
71.61675	0.2
83.05044	0.2
106.33317	0.1
108.94328	0.1
127.07594	0.3
136.45769	0.1
165.84509	0.1
178.72035	0.1
233.22786	0.5
234.97076	0.1
259.20654	0.6
269.49976	0.1
275.20160	0.5
277.21701	100.0
278.22049	8.5
278.25177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1661
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01180	1.6
59.01508	4.5
60.97611	0.6
61.48253	0.5
63.67513	0.5
70.22919	0.5
74.12207	0.4
103.02328	0.7
117.66994	0.4
121.03287	4.5
139.32381	0.4
146.99496	0.9
147.08490	4.9
165.00447	11.0
166.00459	0.7
181.00049	1.2
189.04179	1.6
191.05658	9.5
191.07286	0.6
192.05746	0.7
193.11378	0.6
205.07277	1.3
205.16054	1.9
207.05202	1.3
210.47559	0.5
215.55516	0.4
231.08832	1.5
233.10344	100.0
233.19069	1.1
234.10500	9.7
240.75568	0.5
259.15451	1.3
259.20822	0.6
277.16525	90.5
277.21555	58.0
278.16733	10.1
278.21805	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	277.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66183	0.6
58.02975	13.8
59.01375	3.0
66.87044	0.5
69.32963	3.2
69.33372	1.7
71.01377	1.6
71.05016	0.6
72.99302	1.3
74.02469	1.9
85.02983	0.6
85.04076	1.2
87.00881	0.7
87.02741	3.0
91.11565	0.5
95.32288	0.6
97.04077	1.2
99.00890	1.4
99.05644	17.4
101.03558	1.3
109.02959	0.8
112.00346	0.9
115.00356	0.8
116.01733	3.7
119.05013	2.8
121.02935	1.2
123.04585	0.9
125.02472	0.6
129.03462	0.8
130.06607	3.1
131.05362	1.3
133.02934	1.6
133.04453	4.7
133.06929	36.9
134.07236	0.9
141.92679	0.6
143.04625	100.0
144.05003	2.7
145.02985	2.7
145.08717	1.5
146.06126	0.9
146.08203	1.5
147.04506	2.4
148.04002	0.8
159.04550	0.7
161.02463	2.7
169.06541	0.6
173.06186	1.0
174.05530	3.3
175.04045	3.3
175.05414	0.7
177.01956	1.3
190.05093	2.4
192.99933	0.6
203.03488	8.1
204.03777	0.7
215.03461	1.6
215.06956	0.7
233.04610	1.0
259.02420	1.0
277.03787	4.1
277.07544	2.4
277.12283	31.8
277.21661	8.7
278.12646	1.2
278.22116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14876	0.7
51.62774	0.8
57.03435	1.3
58.02978	35.3
59.01375	9.5
61.98811	1.1
69.82594	4.1
71.01392	5.6
71.05013	1.8
72.00905	1.7
73.01164	1.3
73.02945	1.7
80.96479	1.3
81.71248	0.9
83.01378	0.9
83.05033	2.1
84.04551	29.0
85.02951	3.7
86.02472	2.6
92.05062	42.6
94.32385	1.0
95.05031	1.5
96.95988	1.5
100.90027	0.9
101.02436	1.8
108.04591	1.0
113.02434	1.9
115.04021	5.3
116.05035	1.5
118.02972	1.5
118.06650	2.6
120.04575	11.2
121.03016	1.0
123.04517	1.0
125.02382	0.9
128.03543	100.0
128.05080	3.5
129.03879	1.9
130.06622	3.5
130.99864	1.0
131.03804	5.4
132.04555	1.0
134.06158	1.0
135.04489	1.1
136.04045	1.2
144.04547	29.8
145.03012	0.9
145.05013	1.5
146.02483	17.1
146.06117	15.7
147.03232	1.8
148.04045	75.8
149.04420	2.5
160.03976	1.2
161.04601	2.1
171.04501	1.0
172.04060	2.1
173.07188	18.8
174.05573	4.3
174.07309	1.0
189.05785	1.7
190.05069	5.7
191.02803	2.7
203.03563	1.9
215.08247	34.8
216.08562	1.5
226.76801	1.1
233.09288	1.3
235.07301	2.6
259.07260	9.4
259.11731	1.0
277.03619	2.7
277.08279	33.9
277.12930	3.5
277.21713	24.7
278.08643	2.7
278.22018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00049	0.2
59.01381	1.8
65.00324	3.5
68.99816	2.8
71.01386	0.4
71.05011	0.3
72.99311	12.0
72.99725	0.6
73.90755	0.4
83.01423	0.5
87.00877	5.2
91.45995	0.3
93.03459	0.9
96.99331	0.3
99.00889	0.3
101.97852	0.3
111.00875	0.7
111.04538	0.3
112.98794	0.8
115.05608	0.4
117.03461	9.5
118.03893	0.3
119.05027	25.3
120.05360	1.1
121.02959	4.5
123.04530	1.3
127.00394	2.7
129.03459	5.9
129.04337	0.5
130.04282	0.7
130.99841	0.5
131.05029	2.1
133.02957	1.2
134.03813	1.3
135.04498	0.8
136.04311	0.5
143.05028	8.3
144.05356	0.3
145.02954	41.9
146.03259	1.7
146.08234	0.9
147.04521	44.5
148.04845	2.0
154.99791	0.4
159.04497	1.0
161.06087	4.3
163.04025	2.4
171.04514	2.0
175.04002	35.2
176.04369	1.8
179.03061	0.3
180.03244	0.6
187.04062	0.4
189.05566	0.8
201.22083	0.3
203.03496	100.0
204.03822	5.5
205.04996	0.8
215.03488	24.7
216.03885	1.8
231.02966	0.5
233.04523	3.2
242.31264	0.3
247.63431	0.3
259.02481	11.4
260.02762	0.7
277.03525	49.2
277.21768	1.7
278.03867	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	277.0354
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
51.03219	0.3
53.56181	0.3
54.93405	0.3
56.40890	0.3
59.01379	1.2
65.00318	4.0
68.99822	2.2
71.01384	0.7
72.99306	13.0
78.86687	0.3
79.03182	0.3
83.01408	0.3
87.00888	4.1
93.03464	1.1
98.20621	0.8
105.99403	0.3
111.00888	0.6
112.98827	0.7
115.05479	0.3
117.03468	7.3
119.05026	24.8
120.05396	0.7
121.02971	4.6
123.04551	0.6
127.00404	1.9
129.03468	5.7
130.04239	0.6
131.05052	2.1
133.02927	1.0
134.03754	0.5
135.04547	0.7
143.05025	9.2
145.02951	40.2
146.03273	1.9
147.04523	49.1
148.04817	1.8
154.99907	0.4
158.03801	0.4
159.04530	1.1
161.06090	3.5
163.04079	1.6
171.04546	2.4
175.04005	36.2
176.04361	1.6
187.04021	0.5
189.05583	1.2
199.64671	0.3
203.03506	100.0
204.03819	5.5
205.05060	0.9
215.03500	24.8
215.69225	0.4
216.03854	1.0
231.02991	0.7
233.04535	3.3
259.02475	13.1
260.02829	1.1
270.78378	0.3
277.03522	57.7
277.21710	6.5
278.03906	4.1
278.22369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0353
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
51.45074	0.4
59.01376	0.6
65.00330	2.9
68.99814	2.1
69.50946	3.5
72.99307	12.3
87.00882	2.1
93.03469	0.6
96.99297	0.5
100.98560	0.4
111.00869	0.8
112.98848	0.8
116.12978	0.4
117.03463	6.1
119.05028	21.6
120.05364	0.9
121.02971	3.7
123.27921	0.5
127.00388	0.8
129.03468	5.4
130.04222	0.5
130.99768	0.4
131.05061	1.6
143.05032	9.7
145.02953	35.8
146.03241	2.0
147.04523	47.6
148.04875	2.1
159.04529	1.3
161.06076	3.9
163.04037	1.0
171.04488	1.6
175.03996	36.4
176.04309	2.1
180.03235	0.6
189.05644	0.9
203.03499	100.0
204.03847	5.6
205.05128	0.6
215.03500	26.3
216.03860	1.4
231.03041	0.6
233.04523	3.5
259.02451	12.4
260.02765	0.9
277.03525	60.7
277.09879	1.5
277.21686	2.5
278.03836	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	277.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08092	0.3
59.01385	0.8
65.00323	3.6
68.99820	2.3
72.99307	11.2
85.74778	0.3
87.00869	3.2
93.03463	0.9
95.55624	0.3
96.30330	0.3
98.20631	0.9
99.35510	0.3
108.02166	0.5
111.00926	0.5
112.98790	0.6
117.03471	6.7
119.05029	23.4
119.20226	0.3
120.05363	0.7
121.02950	3.3
123.04563	0.4
127.00397	1.9
129.03471	5.4
130.04170	1.0
131.05020	1.4
133.02977	0.8
133.06499	0.5
134.03758	0.9
135.04465	1.0
136.04236	0.5
137.09749	0.4
143.05026	8.4
145.02951	37.7
146.03281	1.5
147.04521	46.4
148.04831	2.0
149.00121	0.3
159.04482	1.5
161.06084	4.4
162.06471	0.5
163.04008	1.8
171.04449	2.0
172.85796	0.3
175.04002	34.5
176.04320	1.6
179.03101	0.3
187.03905	0.4
187.14944	0.5
189.05486	0.9
203.03496	100.0
204.03822	5.9
205.05098	0.6
215.03499	24.7
216.03801	1.4
231.03113	0.7
233.04518	3.3
233.10831	0.5
258.74158	0.4
259.02460	12.1
260.02673	0.8
277.03522	58.2
277.21750	1.5
278.03860	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	276.1241
Annotation	Obscurolide A3
Peak:m/z	Relative Intensity
58.21682	0.6
64.75638	0.5
68.58412	0.7
69.41907	3.5
69.42341	1.7
70.15415	0.5
91.05511	2.7
100.07692	0.8
101.06077	0.9
113.94060	0.6
118.06605	1.8
128.07179	33.3
129.07545	0.6
152.64113	0.6
201.98236	0.6
203.03516	1.0
204.13963	1.2
226.66057	0.6
232.13417	100.0
233.13760	6.3
276.12372	2.3
277.03479	1.2
277.14819	0.6
277.21683	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	275.2016
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
52.81524	0.3
59.01380	4.0
65.50014	0.3
67.11387	0.3
71.01375	1.1
71.60867	0.3
71.61320	0.5
73.11218	0.2
79.95731	3.6
80.82603	0.2
83.05022	0.5
99.04501	0.3
100.37609	0.3
109.03030	0.3
109.93968	0.3
113.06075	0.4
119.98905	0.4
126.85307	0.3
134.03749	0.3
159.04475	0.3
163.07629	0.3
177.09175	0.3
177.16467	2.2
197.15366	0.3
219.13737	0.4
231.03229	0.3
231.10387	0.4
231.21204	8.1
232.21552	0.8
233.15550	0.4
257.19016	0.4
275.20139	100.0
276.20456	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	273.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82295	1.3
56.06244	1.3
59.01375	2.1
65.38415	1.1
71.61993	1.8
78.26411	1.3
87.00834	1.1
90.38920	1.1
104.85240	1.1
112.54111	1.3
114.24881	1.2
121.10816	1.0
123.67206	1.1
129.49066	1.2
133.03030	1.3
151.11252	1.3
155.37405	1.1
168.46962	1.4
169.12341	100.0
170.12653	4.7
185.06084	4.1
186.06680	1.2
186.76965	1.2
197.11832	20.6
198.12099	1.5
200.04631	1.6
201.09293	1.3
229.08632	4.3
241.10817	79.5
242.11183	4.3
249.53249	1.1
270.74219	1.2
273.04019	2.5
273.07620	3.5
273.12637	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82295	1.3
56.06244	1.3
59.01375	2.1
65.38415	1.1
71.61993	1.8
78.26411	1.3
87.00834	1.1
90.38920	1.1
104.85240	1.1
112.54111	1.3
114.24881	1.2
121.10816	1.0
123.67206	1.1
129.49066	1.2
133.03030	1.3
151.11252	1.3
155.37405	1.1
168.46962	1.4
169.12341	100.0
170.12653	4.7
185.06084	4.1
186.06680	1.2
186.76965	1.2
197.11832	20.6
198.12099	1.5
200.04631	1.6
201.09293	1.3
229.08632	4.3
241.10817	79.5
242.11183	4.3
249.53249	1.1
270.74219	1.2
273.04019	2.5
273.07620	3.5
273.12637	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0384
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
55.40702	0.3
63.44603	0.3
70.00754	1.5
72.91000	0.3
78.95902	100.0
83.61239	0.3
85.02972	0.5
87.00843	0.4
89.03584	0.4
96.96011	5.2
96.96956	5.9
98.20509	0.5
110.98530	63.9
111.98895	0.3
125.41586	0.3
128.03552	1.0
145.06284	0.7
223.00252	0.4
230.08849	0.3
241.01178	19.0
255.79893	0.4
261.32465	0.4
273.03799	97.7
274.04095	3.6
278.28082	0.3
283.13547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07203	0.8
59.01373	1.9
64.09594	0.9
66.03487	45.2
68.02522	1.1
71.01366	1.9
71.61358	1.0
72.00906	2.5
73.02967	1.2
74.02469	1.7
75.00869	0.9
78.95891	3.9
87.00873	2.6
88.04034	0.8
89.03579	4.4
100.33945	0.9
109.01397	0.9
110.02480	100.0
110.48822	0.8
110.58673	0.8
110.59441	0.9
110.98553	1.5
111.02799	2.8
114.05624	1.3
124.04046	6.2
128.03500	1.2
135.04486	1.2
143.04594	2.6
149.23665	0.8
150.05614	0.8
152.03500	3.2
170.00398	1.4
185.02728	1.5
228.14497	0.8
241.01183	0.9
254.11513	0.9
272.05191	0.9
273.03833	3.5
273.09830	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.08479	0.3
50.60653	0.2
51.79957	0.3
59.01384	0.4
59.77073	0.3
69.46814	0.2
71.61288	0.5
78.89186	0.3
106.97028	0.3
209.18994	0.3
223.20616	0.3
225.22221	4.4
253.21698	1.6
255.48048	0.3
269.21155	1.1
271.22766	100.0
272.23083	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	271.0977
Annotation	3',4'-Dihydroxy-7-methoxyflavan
Peak:m/z	Relative Intensity
55.87305	0.8
59.01360	1.0
65.03954	3.6
67.01870	1.0
81.03457	1.0
83.05025	1.7
84.46414	0.8
91.05531	13.6
93.03468	4.0
95.01398	1.9
108.02175	9.0
109.02956	50.0
110.03275	1.3
111.00902	2.2
119.05033	1.6
121.02951	14.3
123.04526	12.3
128.01138	0.9
133.02959	2.5
134.03740	12.5
135.04527	75.0
136.04820	2.3
146.03731	1.4
147.04521	15.0
148.05225	1.4
149.06093	15.6
150.06349	0.9
160.05295	1.0
172.05281	1.5
186.06839	2.2
187.07706	1.6
196.05281	0.8
197.06071	4.8
199.03978	2.1
203.10765	1.7
211.07684	1.5
212.08372	3.0
213.05591	2.4
214.06369	4.8
227.10829	1.2
229.08720	4.0
238.06342	3.3
241.05064	8.4
253.08676	1.9
255.06627	1.3
256.07391	8.1
271.09756	100.0
271.19247	3.5
271.22693	3.8
271.25385	1.0
272.10062	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	271.0613
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
57.03451	0.7
59.01392	0.4
63.02399	9.8
65.00323	17.9
71.62886	0.4
72.99308	0.4
76.56135	0.4
83.01392	11.5
87.04523	1.5
88.16411	0.4
93.03459	13.1
95.05070	0.4
97.06557	0.4
99.57236	0.4
104.69961	0.3
105.14509	0.3
107.01393	27.5
109.02976	1.0
119.05027	77.8
120.05363	2.4
121.02920	0.8
125.02457	1.1
133.02943	0.6
135.04483	0.4
139.07645	0.3
143.04980	1.1
145.02962	2.1
151.00369	72.2
152.00716	2.2
153.05534	0.7
161.06062	1.6
165.01912	3.9
169.01431	3.8
174.01718	3.1
177.01926	9.7
185.06082	1.6
187.03966	3.0
227.07091	1.8
229.05099	0.5
233.10173	0.4
241.05016	1.0
245.08351	0.7
253.05128	0.6
256.03943	0.4
256.07220	0.9
271.06104	100.0
271.15536	2.1
271.22711	0.9
272.06436	6.5
272.09351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.2
60.90775	0.2
64.97005	0.4
70.08463	0.3
70.08830	0.7
72.99333	0.3
79.95740	11.4
80.96520	1.7
83.02460	0.2
86.31353	0.2
86.38377	0.2
87.00885	0.4
106.98079	1.0
115.01948	0.2
115.37960	0.2
119.05089	0.3
124.00744	100.0
125.01037	0.8
166.44272	0.2
174.01707	1.1
210.02983	0.2
213.05473	0.3
241.05032	0.5
256.07382	0.4
263.02737	0.2
269.21158	0.4
270.04413	11.6
270.21594	0.3
270.24887	0.2
271.04675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1759
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
57.03448	3.6
59.01374	2.1
69.49763	4.1
70.23595	0.6
71.01380	1.3
71.05025	3.0
72.02162	1.4
83.58675	0.5
85.02961	2.2
87.00897	0.6
87.04517	100.0
88.04855	2.1
93.03442	0.6
99.04512	4.4
108.10465	0.6
109.02940	2.2
112.98832	0.8
121.02964	0.5
123.08169	0.7
134.03737	1.6
137.02457	2.0
137.09705	1.3
151.03986	0.9
189.16457	1.1
207.17517	6.8
209.15459	1.6
211.13316	1.8
223.17221	0.8
251.16536	1.0
269.04498	1.3
269.08047	1.3
269.17584	50.6
269.24902	1.7
270.17905	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	270.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38574	0.4
71.01381	0.7
71.61282	0.4
72.99306	0.8
77.12110	0.4
79.95739	43.8
80.96518	21.0
87.00871	1.1
92.26145	0.5
94.98100	1.1
106.41513	0.4
106.98089	12.8
109.02916	0.5
112.98780	0.8
114.05612	0.6
119.05048	4.4
121.06612	0.4
124.00745	100.0
149.14178	0.4
153.05533	0.8
162.05611	2.5
174.01706	5.9
193.45552	0.4
206.08179	0.9
270.04410	93.3
270.21558	1.2
271.04758	5.3
294.47119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.0
57.03453	6.4
59.01380	50.9
62.97333	1.5
69.03459	2.2
71.01384	100.0
71.61882	1.7
72.01717	1.8
72.99309	6.7
73.02949	43.3
75.00914	2.6
79.33920	1.5
83.01395	22.0
85.02951	56.5
87.00893	5.7
89.02441	3.5
93.03468	5.5
95.01389	7.5
97.02943	3.7
99.00887	14.1
101.02444	92.7
103.86876	1.5
104.26278	1.7
109.02962	3.2
112.01735	1.4
113.02451	45.0
114.05618	1.9
118.61929	1.5
125.02495	1.8
129.02011	1.7
135.04497	1.3
137.02463	6.9
143.03506	2.3
159.02979	8.9
161.04538	27.5
185.98265	1.4
243.77733	1.5
250.77043	1.5
255.06586	1.5
269.04489	6.4
269.07605	2.1
269.10550	9.3
269.13376	2.1
269.21173	4.9
269.24927	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	269.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61802	0.2
57.37104	0.2
57.80746	0.2
59.01368	0.4
63.02401	2.7
65.00327	1.8
69.31396	2.0
83.01395	0.5
89.00320	0.3
91.01890	1.1
93.03446	0.3
107.01399	2.3
107.05096	0.2
117.03463	0.3
123.04542	0.5
132.02173	0.6
133.02960	6.8
135.00896	0.6
135.04526	1.3
137.02463	0.3
143.04987	0.2
151.00349	0.4
155.05003	0.7
156.05835	0.4
157.02864	1.0
159.04509	2.5
169.06546	0.5
171.04495	0.5
173.06017	0.2
180.05794	1.5
181.06570	2.2
181.12390	0.3
182.03748	0.3
183.04504	1.9
195.04497	0.3
196.05258	1.0
197.06026	1.1
199.04013	0.6
201.05554	1.6
213.05545	1.0
224.04814	1.7
225.05476	1.4
227.03499	0.4
240.04243	0.6
241.05017	0.7
269.04541	100.0
269.21207	0.7
269.24854	0.6
270.04877	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	269.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52618	0.1
59.01378	0.4
61.21311	0.1
63.02400	2.6
65.00317	1.8
71.01374	0.2
71.62300	0.2
83.01360	0.3
89.00336	0.4
89.04008	0.2
91.01897	1.2
93.03453	0.2
105.70364	0.1
107.01389	2.5
109.02961	0.2
117.03490	0.2
123.04522	0.5
131.05016	0.2
132.02174	0.6
133.02957	7.7
134.03703	0.2
135.00879	0.7
135.04520	1.7
137.02480	0.4
143.05040	0.2
151.00365	0.5
154.04271	0.2
155.05008	0.6
156.05823	0.2
157.02921	1.1
157.06516	0.3
159.04518	2.8
161.02441	0.3
167.04971	0.2
169.06577	1.1
171.04500	0.4
173.06073	0.5
180.05826	1.6
181.06560	2.2
181.12396	0.1
182.03728	0.4
182.06885	0.3
183.04504	1.7
184.04756	0.1
195.04527	0.2
196.05264	0.9
197.06079	1.2
199.04041	0.9
201.05576	2.0
213.05586	1.0
223.03960	0.4
224.04774	2.2
225.05469	1.8
226.05891	0.2
227.03464	0.5
240.04158	0.6
241.05171	0.6
267.45203	0.2
268.03757	0.3
269.04538	100.0
269.21191	0.8
269.24786	0.5
270.04886	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	269.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53473	0.9
55.87137	0.9
58.00603	0.9
59.01379	29.5
61.97818	0.8
69.52311	6.1
71.01381	3.3
72.99274	2.2
79.09255	0.9
83.29332	0.9
87.00872	26.1
89.02452	2.1
89.16332	0.8
89.20383	0.8
93.03456	57.2
94.03794	1.3
98.19935	1.2
103.00370	13.3
109.02954	4.0
112.98824	2.8
113.02447	1.2
114.05659	1.3
119.03496	1.0
121.02886	0.9
123.04478	1.0
123.34823	0.9
124.00742	3.4
130.99864	5.1
137.02443	100.0
138.02783	3.5
143.04601	2.1
154.66885	0.9
155.39722	0.9
159.04474	1.3
163.03978	1.4
177.05518	1.0
181.05177	1.2
194.08195	2.4
195.08531	1.6
225.02280	2.4
269.03159	1.9
269.07169	3.1
269.21164	2.6
270.04080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36440	0.7
58.00578	1.0
59.01382	22.7
70.98315	1.2
72.99310	1.8
75.86237	0.7
82.76612	0.6
84.01628	0.6
86.84435	0.7
87.00879	25.0
89.96145	0.6
93.03462	49.8
94.03764	1.0
103.00374	10.7
112.98811	2.0
130.99857	6.4
137.02449	100.0
138.02785	1.8
149.00926	1.0
151.74178	0.6
153.11700	0.7
269.02985	1.0
269.21173	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73239	0.4
59.01383	1.1
59.10031	0.4
60.59922	0.4
62.28324	0.3
70.09746	0.7
70.10145	1.0
71.01383	1.8
71.49400	0.4
73.02953	0.9
74.02473	1.1
80.24879	0.4
83.01392	0.6
85.02929	1.1
87.00889	3.9
93.03459	50.8
94.03803	1.5
98.02486	1.1
101.02441	1.7
109.02959	0.5
113.02448	0.8
116.64401	0.4
137.02444	100.0
138.02809	3.2
147.04456	0.4
161.04625	0.5
177.37547	0.4
183.28503	0.4
187.48602	0.4
259.65857	0.5
269.07867	0.5
269.10785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.233
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
59.01770	0.2
91.32327	0.3
92.76936	0.2
98.95586	0.8
163.85899	0.2
172.62827	0.3
188.45860	0.3
215.27271	0.3
220.66673	0.3
222.75899	0.3
267.23291	100.0
268.23633	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	267.1966
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
57.03449	0.9
59.01384	4.6
71.61937	1.0
73.68102	0.7
85.02930	0.8
85.06594	2.3
85.48269	0.7
89.38160	0.8
101.02438	1.8
121.02960	1.5
131.12715	0.8
171.10220	1.7
178.99890	0.9
195.13904	20.4
223.20720	0.9
249.18607	20.0
250.19139	1.3
251.05969	1.1
252.04161	1.6
267.06708	1.0
267.19653	100.0
268.20053	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	267.1239
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03449	3.1
59.01380	100.0
60.01699	1.0
69.95451	3.8
71.01409	1.0
71.05026	2.2
83.05045	1.9
87.00898	2.6
96.95979	1.8
98.19843	0.9
99.04553	1.4
124.14169	0.7
132.57919	0.8
161.13406	1.5
163.11276	1.9
187.11404	0.8
205.12253	1.4
207.10298	2.6
223.13402	49.3
224.13811	3.3
239.03433	2.0
249.14902	1.0
267.03223	1.2
267.06766	2.5
267.12570	4.9
267.15799	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	267.0735
Annotation	formycin b
Peak:m/z	Relative Intensity
56.66807	0.3
59.01388	3.0
61.98834	0.5
69.61832	1.7
71.01381	2.3
72.99302	0.6
73.02929	0.5
75.00874	0.6
79.95763	0.4
80.96491	0.3
83.01381	0.4
85.02948	1.4
87.00880	2.5
88.04059	0.8
89.02451	0.7
95.01431	0.4
96.95988	0.5
99.00861	0.7
101.02450	0.8
108.02045	11.6
113.02447	1.8
119.03509	0.3
120.43011	0.3
121.03016	0.3
125.03574	0.3
126.03098	0.8
132.03024	0.9
134.03728	1.2
135.04498	2.9
143.04884	0.3
149.06055	0.5
151.02623	100.0
152.03076	1.7
161.04567	0.5
177.04172	3.3
177.55913	0.3
193.05043	0.4
234.81293	0.3
267.07333	30.3
268.07571	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0723
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
55.01869	1.2
57.03449	4.8
58.00595	0.8
59.01380	25.3
67.01880	0.8
69.03457	0.7
69.81783	2.4
71.01384	33.1
72.99309	5.6
73.02953	1.3
75.00877	15.9
78.95899	0.6
83.01394	1.1
85.02953	33.9
86.03266	0.7
87.00877	13.2
89.02451	10.1
91.03996	1.3
95.01393	6.3
96.96036	0.6
98.19857	0.6
99.00887	8.0
101.02484	1.2
101.06683	0.5
103.00385	3.1
111.00898	1.2
112.01661	0.7
113.02450	44.8
114.02791	1.3
115.00395	2.3
117.01955	3.2
129.01913	2.1
131.03488	1.7
157.01422	1.3
175.02481	2.4
179.68903	0.5
205.07240	1.0
207.05077	1.5
249.06216	4.9
267.07202	100.0
268.07544	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	267.0662
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
53.96897	0.2
54.29869	0.2
59.61121	0.3
69.28261	2.6
83.01532	0.3
87.85342	0.3
90.14937	0.2
91.01873	1.3
92.02875	0.3
96.96024	0.5
97.40665	0.3
98.19888	0.5
104.02660	0.3
108.02183	0.6
119.17509	0.2
129.86646	0.3
132.02170	8.2
133.02478	0.3
135.00882	4.0
145.87675	0.3
153.01939	0.8
158.45268	0.3
180.05855	0.5
195.04509	7.2
195.06233	0.5
196.05171	0.9
208.05298	4.4
211.04007	0.3
223.03992	21.3
224.04723	6.3
225.05000	0.3
251.03494	14.4
252.04269	100.0
253.04607	7.3
267.06613	93.6
267.16013	0.9
268.06940	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	267.0662
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
55.64390	0.2
58.32387	0.2
59.01392	0.7
65.17496	0.2
66.52593	0.2
67.51216	0.2
70.59386	0.5
91.01889	1.3
96.96039	0.6
99.04546	0.2
108.02185	0.4
132.02168	9.4
135.00885	3.6
137.09749	0.2
146.12115	0.2
153.01900	0.8
155.05087	0.2
167.05017	0.6
180.05826	0.7
183.04530	0.2
195.04506	7.2
196.05061	0.7
208.05272	4.0
209.05632	0.3
211.04008	0.3
223.03993	20.3
224.04710	6.4
225.05209	0.3
239.03435	0.5
251.03494	13.5
252.04263	100.0
253.04601	6.7
267.06604	92.1
268.06946	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	267.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92286	0.2
59.01379	0.8
59.43687	0.2
61.55367	0.2
64.95969	0.2
67.93724	0.2
70.93026	0.5
73.79161	0.2
78.10112	0.2
90.01340	0.2
91.01881	1.6
96.96002	0.3
108.02151	0.4
109.75758	0.2
132.02184	9.9
133.02550	0.5
135.00888	3.4
153.01944	0.9
167.04994	0.5
180.05795	0.4
189.85410	0.2
195.04504	7.7
196.05045	0.9
203.52956	0.2
208.05290	4.4
209.05444	0.2
223.04012	20.9
223.13423	0.3
224.04732	5.7
225.05214	0.5
233.48186	0.2
239.03404	0.3
251.03517	14.0
252.04274	100.0
253.04614	6.8
267.06616	90.7
268.06964	7.1
268.09854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60371	0.6
59.01377	4.6
69.72025	1.4
69.72446	2.5
71.01382	10.7
71.94435	0.5
72.99308	2.0
73.02928	0.8
85.02955	1.5
88.04041	92.3
89.02443	0.8
89.04403	0.8
96.96008	2.0
98.19836	0.7
101.02443	1.7
102.02778	1.0
104.03539	6.4
107.05023	2.2
113.02444	2.0
114.01978	6.3
115.00378	17.8
119.05074	0.8
121.02953	0.9
123.04527	3.9
130.01454	5.1
132.03027	100.0
133.02895	4.5
134.04695	0.8
135.04518	8.0
143.42461	0.6
147.04466	0.7
148.02516	0.8
149.06050	0.8
150.05591	5.2
151.04027	9.0
152.12126	0.6
153.06718	0.6
161.02446	6.9
161.04375	0.6
175.04024	0.6
177.05571	1.1
188.90137	0.7
192.06758	0.7
205.05191	0.6
206.05444	1.0
216.40549	0.7
222.07722	4.6
248.05591	1.1
266.06677	30.1
267.07202	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	265.2174
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
55.44610	0.3
63.29921	0.3
69.37274	0.3
70.74052	0.7
82.83192	0.4
94.45989	0.3
96.95432	0.6
96.96020	6.7
123.81066	0.3
143.33629	0.4
151.12695	0.3
212.54805	0.3
236.54509	0.4
265.15115	4.5
265.21722	100.0
266.22067	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	265.1808
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
50.15627	1.2
57.03447	2.9
59.01384	7.8
67.81798	1.1
68.99816	3.0
69.03455	3.3
71.01383	1.9
71.09453	1.4
71.09840	1.9
71.71832	1.6
77.81924	1.2
78.95913	7.7
81.03477	1.9
83.05040	3.0
84.71599	1.3
85.02933	2.4
93.03453	5.8
95.05014	2.9
96.96016	8.2
97.06585	5.1
101.02460	2.0
106.04261	8.6
107.05060	6.1
119.05003	2.1
121.02940	1.5
121.10239	5.6
135.04462	1.8
138.03229	2.2
143.07138	7.5
149.09755	2.3
150.10529	1.6
151.11232	1.5
153.12856	2.5
159.11829	3.1
167.10777	24.9
175.11223	1.7
177.12836	29.5
195.10254	4.4
195.13943	2.6
203.10774	28.2
203.14487	2.0
203.18018	3.8
204.11108	2.0
209.06151	1.5
221.11844	21.7
221.19225	1.9
222.12122	1.6
223.13310	1.8
229.12341	9.3
237.15027	8.7
240.83331	1.2
246.84648	1.4
247.13382	43.4
247.17032	13.4
248.13690	3.6
265.04898	1.5
265.14676	17.8
265.18060	100.0
266.18359	6.4
276.89038	1.2
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	Aspterric acid
Peak:m/z	Relative Intensity
57.03446	0.9
59.01377	7.6
61.98835	0.9
67.69421	0.7
69.80773	3.9
70.92352	0.6
71.01376	1.4
83.05027	1.8
85.02963	1.2
93.03454	1.1
96.96015	3.8
97.06557	0.9
101.02439	0.7
106.04246	1.2
107.05029	1.5
109.06598	0.9
113.91256	0.7
149.06027	0.7
149.13316	1.0
163.04045	0.9
177.12802	3.0
177.16483	2.6
203.10782	3.5
203.14388	2.7
219.13887	0.8
221.11888	2.7
221.15465	100.0
222.15822	6.8
237.14821	0.8
247.13390	6.7
265.11002	1.0
265.14465	16.5
265.17444	0.7
266.14868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1445
Annotation	Rugosal A
Peak:m/z	Relative Intensity
57.03449	3.3
59.01370	6.4
65.03944	7.3
67.87451	1.9
69.45522	16.4
71.01377	6.0
72.19458	2.0
81.03463	20.3
83.05029	22.5
89.37598	1.7
89.88474	2.1
93.03464	16.5
95.05024	8.1
96.96033	4.5
108.02196	2.2
109.02922	6.8
109.06579	5.8
110.03754	4.1
111.04513	56.7
121.02969	3.0
125.09680	3.0
137.09753	2.1
139.11282	6.9
171.10229	3.6
177.05563	2.3
177.12822	8.5
180.36020	2.2
183.10257	3.4
193.15956	10.2
201.13004	2.2
203.14468	2.8
219.13876	8.6
221.11803	21.9
221.15414	3.1
223.13354	2.4
237.14948	78.1
238.15358	3.1
247.13426	21.1
265.14438	100.0
266.14746	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	265.1444
Annotation	Ivalbin
Peak:m/z	Relative Intensity
57.03446	3.8
57.70654	1.5
59.01376	5.7
68.99815	5.5
69.03444	1.8
70.05612	6.4
71.01389	2.5
71.30924	1.3
73.82172	1.3
78.95904	28.9
81.03471	2.7
83.05035	4.7
93.03442	8.8
95.05020	4.4
96.95999	8.9
97.06582	6.5
106.04234	22.0
107.05038	15.8
108.02152	1.8
109.02908	1.9
109.06618	1.4
119.05040	5.3
121.03038	2.1
132.05824	2.8
138.03238	5.4
159.11801	3.8
163.04034	1.3
175.11237	2.6
177.12836	79.3
178.13150	4.1
183.08105	2.8
185.09669	2.9
195.13876	7.0
203.10764	59.6
204.11140	3.0
221.11830	60.6
221.14008	3.0
221.19054	1.4
222.12192	3.6
223.13438	2.9
229.12299	21.1
237.14944	19.8
237.18477	2.6
238.15155	1.3
239.12761	2.4
247.13380	100.0
247.17159	2.9
248.13745	6.3
265.04883	1.7
265.11411	2.6
265.14508	30.9
265.18063	38.5
265.21313	2.6
266.15045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1193
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
54.44322	0.7
59.01384	5.1
65.04657	0.6
67.02999	1.3
69.83962	4.2
70.02985	1.3
70.78493	0.7
71.01380	4.7
72.08134	0.6
72.99313	1.7
73.02946	0.8
74.02473	1.7
74.25599	0.6
79.70648	0.8
80.96526	0.7
82.02994	3.5
84.04552	7.4
85.02958	1.9
86.02490	0.8
87.00888	0.9
89.02467	1.2
92.05074	1.7
93.03479	0.8
96.96017	5.5
98.02501	1.6
99.00909	0.8
99.05663	0.9
101.02448	3.3
101.07197	1.6
106.04276	0.9
106.21999	0.7
107.02544	1.4
107.05026	6.5
109.04075	9.5
112.04009	1.2
113.02454	1.3
117.03459	1.3
119.05027	48.1
120.05381	2.2
121.02937	0.8
122.06090	0.9
125.03558	0.8
127.05138	100.0
128.03543	62.6
129.03928	0.8
132.03043	1.3
133.02977	1.0
133.05083	1.2
133.06615	0.9
134.03728	1.0
135.04538	1.7
136.04068	1.7
136.07683	45.9
137.00638	1.2
137.07988	1.1
139.99692	0.6
145.03000	2.2
145.05145	1.1
145.06198	9.0
146.12727	0.7
147.04530	1.0
149.06155	0.9
161.02451	1.6
161.04576	1.8
161.06017	1.2
163.04018	2.3
177.01938	1.1
177.05670	1.6
177.09114	0.8
178.08714	1.4
179.03603	0.7
184.49509	0.8
191.03648	0.7
203.11888	1.2
205.04950	1.4
217.09752	1.9
221.04410	0.7
221.07986	1.0
223.09644	0.8
237.02301	0.6
247.10866	65.2
248.11127	3.7
265.07492	16.1
265.11908	55.9
266.06818	0.8
266.12314	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96355	0.5
51.44255	0.5
56.59913	0.6
57.03450	3.3
58.00590	1.4
59.01382	40.0
66.36156	0.5
69.75713	0.6
71.00989	1.2
71.01385	21.1
72.99312	1.7
73.02939	0.9
80.96529	0.5
83.01395	1.3
85.02956	25.0
87.00900	1.9
88.04047	4.0
89.02444	22.0
93.03475	1.7
95.01379	1.6
99.00885	1.4
99.04507	0.7
101.02444	14.8
103.04018	37.2
104.04376	0.7
105.48923	0.6
108.04518	0.6
113.02451	8.4
115.00407	1.0
117.05617	1.3
119.03521	8.1
119.05006	2.1
121.03014	0.6
131.03508	1.0
132.03044	3.6
136.04015	0.8
143.03532	0.9
145.05075	1.5
147.04578	0.8
149.04594	0.7
149.05992	0.6
159.04396	0.7
161.04578	0.9
165.06709	1.5
177.04251	0.7
177.05670	0.8
179.05650	1.4
205.05078	5.5
205.08783	0.6
222.07623	0.6
265.09308	100.0
266.06790	1.4
266.09607	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	265.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03456	3.9
58.00598	1.6
59.01383	38.5
69.68295	3.3
69.75880	0.6
71.01388	22.0
72.99313	2.3
73.02956	1.5
83.01408	1.9
84.03925	0.6
85.02956	24.1
85.80551	0.6
87.00880	1.5
88.04043	7.7
89.02451	21.9
92.05086	0.5
93.03474	1.6
95.01395	1.7
96.96040	1.1
99.00893	2.1
101.02452	14.1
103.04015	35.3
103.13748	0.6
104.03555	0.6
111.00867	0.7
113.02467	8.8
115.00405	1.0
117.05621	0.8
119.03519	9.0
119.05009	1.8
132.03030	7.1
133.02986	0.6
135.04515	0.7
143.03439	1.1
145.05083	1.6
147.04547	1.2
149.04686	0.6
149.06104	0.8
161.02437	0.7
161.04613	1.4
161.06049	1.5
165.06700	2.1
175.80476	0.7
177.05606	1.6
177.96410	0.6
179.05606	1.4
193.31180	0.6
205.05061	6.5
259.67438	0.6
265.09320	100.0
266.06793	2.7
266.09677	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0715
Annotation	Diaportinol
Peak:m/z	Relative Intensity
55.01882	1.5
57.03446	1.1
59.01383	8.0
61.98831	1.1
68.99831	0.9
69.66735	3.1
71.01383	12.2
72.99316	1.1
73.02935	3.7
75.00844	0.5
80.96535	0.8
81.03448	1.1
83.01392	1.5
85.02950	4.9
86.02480	0.5
87.00884	0.6
88.04061	1.5
89.02444	3.6
90.54772	0.5
93.03458	25.3
94.03803	0.6
95.01372	0.8
97.02958	1.0
98.00098	3.8
98.20660	0.9
99.00879	19.7
100.01200	0.6
101.02441	8.7
107.05050	0.7
109.02955	1.8
111.00877	6.2
113.02438	3.9
119.03628	0.7
119.05020	17.7
120.05357	0.6
121.02966	0.5
121.06593	0.7
125.02570	0.6
129.99063	2.6
130.04243	1.4
131.05034	9.2
132.03014	1.9
133.02995	0.8
133.06584	3.5
134.04671	0.7
135.04533	1.7
143.05066	3.2
145.02951	1.5
146.03738	2.7
147.04521	16.7
148.04941	0.5
149.00726	0.5
149.06081	11.3
151.03961	0.6
153.01944	1.0
158.03783	0.6
159.03006	1.6
159.04520	3.6
160.04066	0.6
161.02362	0.6
161.04575	3.9
161.06084	8.1
163.03990	1.7
164.15950	0.5
165.05547	0.6
171.03008	1.7
175.04013	1.6
177.05574	18.9
187.04027	0.8
191.03479	0.8
192.04250	0.8
205.05051	100.0
206.05402	5.0
217.05022	0.7
217.09703	1.1
247.06032	0.7
249.03992	1.0
265.07156	67.1
265.12943	3.0
266.07474	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	265.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60638	0.6
52.86860	0.6
55.01892	0.8
57.03453	0.6
59.01385	4.5
62.12147	0.6
64.35479	0.7
67.03008	0.7
69.84666	1.3
69.85062	2.0
71.01382	6.7
71.01720	0.7
72.99319	1.8
73.02956	1.7
74.02505	1.2
80.96552	1.3
81.03458	0.7
85.02981	2.1
85.04079	0.8
88.04044	5.7
88.73693	0.7
89.02477	1.0
93.03458	26.3
95.02502	1.1
96.96085	1.0
97.02984	0.9
98.00107	4.2
98.02535	0.9
99.00890	21.4
101.02436	3.7
107.03580	1.0
107.05045	1.5
109.02967	2.6
110.81927	0.6
111.00884	6.7
111.02039	1.3
113.02485	2.0
115.00402	1.0
119.05026	20.1
121.02960	0.8
129.99088	2.0
130.04274	1.4
131.05058	7.7
132.03018	6.9
133.03035	1.0
133.05170	0.7
133.06630	4.5
134.03731	1.7
134.04730	22.6
135.04532	2.2
136.04083	1.4
143.05051	3.5
145.03008	2.2
146.03754	2.5
147.04539	15.4
147.05635	1.2
147.06569	1.0
149.02422	0.7
149.06087	11.5
151.03943	1.4
151.05086	0.7
159.03238	1.1
159.04471	4.1
160.03978	0.9
161.02492	1.4
161.04567	2.0
161.06093	9.0
163.04004	2.3
163.75099	0.7
165.06717	1.9
171.02945	1.7
175.04044	1.5
175.38071	0.7
177.05566	18.7
178.00909	0.9
178.06146	1.0
187.04028	1.3
205.05057	100.0
206.05394	4.6
217.09814	0.9
221.09424	3.5
265.07156	81.9
266.06842	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	264.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91351	0.8
53.95602	0.9
57.03458	0.8
59.01376	1.7
70.02975	21.9
71.01370	4.6
72.00908	1.6
91.05548	5.8
91.06024	0.9
95.95238	1.1
96.96024	1.2
96.99317	7.2
98.20738	1.7
106.59796	1.0
114.01967	100.0
115.02330	0.9
117.03459	10.4
117.07088	1.1
118.06628	1.6
129.01909	2.2
133.21671	0.9
134.06117	23.7
144.08197	1.4
146.04588	4.6
146.06133	2.2
160.07652	4.0
188.07188	4.4
232.06137	11.7
264.06241	0.9
265.14478	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	263.2017
Annotation	KDC 165
Peak:m/z	Relative Intensity
57.70003	0.8
59.01382	1.3
61.94105	0.8
66.11527	0.7
66.11983	0.7
69.47871	6.7
74.26160	0.8
81.72592	0.8
104.98315	0.9
106.45267	0.8
137.21817	0.9
204.52536	0.8
251.04654	0.9
263.20166	100.0
264.20456	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	263.1289
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
53.40652	2.0
57.03455	4.7
59.01386	5.3
67.95856	2.3
69.58341	12.3
71.01392	6.0
71.05019	2.3
80.55729	1.8
83.05047	1.9
86.52863	2.0
95.05023	2.4
97.02959	7.5
105.07121	3.1
108.05830	6.3
109.02956	9.0
109.06613	3.4
111.04523	11.9
113.06090	7.4
119.08678	4.6
121.06636	2.5
122.03777	14.5
123.04582	2.4
123.08153	4.9
124.05250	1.9
125.06109	16.7
135.08186	2.2
136.05309	20.0
137.06044	5.9
137.09756	2.5
138.06876	15.2
139.07643	30.0
148.05310	7.1
149.06079	3.6
151.07649	61.5
152.04762	5.8
152.08440	29.2
153.09193	7.5
159.11821	5.3
161.09703	5.3
163.07649	14.8
167.07133	5.6
175.07689	2.9
185.09727	3.8
186.10564	2.2
188.08430	3.2
189.09177	7.7
201.12859	34.3
202.13196	2.7
203.10757	32.8
204.11539	74.3
205.11948	3.1
209.70970	2.3
219.13896	100.0
220.14214	5.8
263.12863	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	263.1135
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
52.76376	1.3
55.01878	7.5
57.03450	5.8
58.00580	1.8
59.01382	77.6
69.03455	2.4
69.46942	10.4
71.01383	100.0
71.05022	2.1
72.01714	1.7
72.99312	4.5
73.02950	29.9
75.00871	4.1
80.96503	2.1
81.67036	1.3
83.01385	14.9
83.05048	1.3
85.02438	2.3
85.02956	47.7
86.87897	1.4
87.00889	6.5
87.04556	1.5
89.02448	26.7
95.01380	8.8
97.02966	2.2
99.00883	14.8
99.04514	2.0
101.02448	80.6
101.06064	3.5
113.02452	43.4
119.03508	9.4
123.78309	1.1
125.02440	2.2
129.01929	1.6
131.03674	1.4
131.07111	1.8
135.40569	1.4
143.03517	3.6
147.04530	3.1
158.63672	1.2
159.03023	8.3
161.04564	46.0
175.04027	3.4
179.05576	1.5
201.01973	1.9
203.03502	12.1
205.03552	2.5
263.05826	4.2
263.11371	24.9
264.08966	1.6
264.11841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04379	1.3
59.01381	100.0
70.06719	2.4
70.07113	2.1
71.01393	1.5
73.02956	1.3
79.16735	1.1
79.79876	1.0
82.11103	1.1
98.73380	1.1
102.53562	1.0
219.13780	1.4
248.27000	1.1
250.10106	1.1
263.05569	3.0
263.12860	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.53308	1.1
71.61241	1.8
85.02956	1.6
90.47003	1.0
102.79910	1.1
113.02428	3.9
127.00661	1.0
156.72098	1.1
182.20963	1.2
201.90268	1.1
212.52507	1.2
263.12872	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.2
57.44071	1.1
59.01381	2.9
69.03451	5.1
70.02981	9.8
70.46446	3.7
71.01373	4.7
72.99303	2.0
73.02946	2.0
75.00895	2.8
76.97795	1.1
82.02995	1.3
84.04563	1.9
85.02953	60.8
86.02446	2.3
86.03290	1.2
87.04539	6.3
87.92532	1.2
93.03447	1.5
94.02982	1.3
96.00920	2.3
96.04558	100.0
97.02944	6.7
97.04910	3.1
98.02470	3.7
99.00874	6.4
101.02452	2.3
103.92005	2.1
104.92760	1.3
108.04564	1.7
109.02962	1.7
110.02477	2.1
111.04507	3.0
112.04058	4.3
114.01947	2.1
114.05608	3.2
114.98418	1.3
115.04021	4.0
126.05683	1.8
128.03532	9.9
129.01941	16.0
131.03668	1.6
133.04962	1.4
135.03009	1.9
138.05617	3.0
139.04044	1.8
140.03519	3.4
141.01936	5.4
142.01453	32.6
144.03026	2.2
145.96765	1.6
158.04575	19.5
159.03000	3.3
160.30518	1.2
172.02484	3.1
172.48218	1.1
186.44417	1.2
199.94131	1.4
200.05548	1.8
202.03568	6.5
219.05048	2.2
242.66484	1.2
262.05725	6.4
262.09280	2.4
263.05582	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	262.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65635	1.8
57.03442	4.4
69.03461	5.0
70.02976	8.7
70.47635	3.2
70.48006	3.9
71.01402	3.0
73.02956	1.8
82.03003	3.6
85.02956	52.3
87.04517	8.3
94.03008	1.9
96.04559	100.0
97.02983	9.5
98.02456	3.3
98.20008	2.1
99.00897	3.7
112.04100	4.9
115.03987	3.5
122.02489	2.1
128.03535	7.6
129.01941	15.7
139.17267	2.0
140.03510	4.5
141.01930	3.8
142.01460	36.3
144.03038	3.1
144.96902	2.0
158.04555	15.4
172.02562	4.6
175.46475	1.8
196.98537	2.2
202.03539	5.7
220.11786	2.2
249.22585	2.1
262.05664	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	261.0879
Annotation	(+)-Neothramycin B
Peak:m/z	Relative Intensity
54.46457	0.5
58.02969	0.7
59.01385	4.1
59.82945	0.6
67.77132	0.5
69.79553	2.6
70.02981	9.1
72.04552	4.1
74.02475	100.0
75.02815	0.7
84.04554	1.2
98.02477	25.3
98.19942	1.0
116.03539	54.9
117.03837	0.9
118.60763	0.6
123.13771	0.6
128.03543	6.8
131.03770	1.0
132.04555	32.1
133.04912	1.8
135.04578	0.7
144.04539	6.3
145.02939	1.0
160.02460	0.6
173.07188	1.0
175.08720	0.9
179.25241	0.6
201.06691	13.3
217.09846	0.8
219.07614	3.3
243.07779	1.1
261.08804	25.0
261.12207	1.2
262.09070	1.9
277.20541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16656	1.7
59.01377	14.0
62.94193	1.9
69.30718	21.1
83.05025	4.9
84.02131	3.4
87.00880	13.9
95.05017	1.9
103.00381	4.1
110.78166	1.9
112.98805	5.2
113.52856	1.9
133.02965	10.4
134.03719	4.2
135.04518	2.9
145.02939	5.1
149.13820	2.1
163.11263	4.9
165.12849	3.1
172.05241	2.8
177.01898	6.0
178.02690	5.7
192.60532	1.9
209.11832	100.0
210.12186	6.2
211.13467	11.2
215.03436	5.3
221.31978	2.2
227.12871	9.8
259.02301	3.3
259.09506	2.3
259.18991	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	259.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74941	0.9
54.47709	0.9
59.01365	1.5
59.23980	0.8
65.29951	0.9
71.60512	1.1
72.00909	11.9
78.95895	2.3
86.02478	59.7
92.05061	57.0
93.05415	1.6
96.96964	2.1
107.23695	0.8
116.05064	58.2
117.05383	1.6
125.19530	0.9
129.05862	3.3
129.29404	0.9
130.06622	1.9
133.27354	0.8
136.70651	1.1
142.06622	23.0
143.06065	1.5
144.08224	7.9
154.06621	5.7
156.06932	6.1
161.04778	1.2
169.07693	10.6
171.09277	58.4
172.09679	1.9
215.08246	100.0
216.08603	5.0
259.02719	1.1
259.07260	17.9
259.15485	0.9
262.09085	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0223
Annotation	D-Glucose 6-phosphate
Peak:m/z	Relative Intensity
54.30884	2.4
57.03431	2.2
58.14810	1.9
59.01372	4.4
71.01392	5.8
74.02458	3.0
78.95905	100.0
82.02972	6.9
85.02957	4.7
87.00871	6.6
96.00938	3.3
96.96964	75.0
98.02448	3.2
98.97430	2.1
99.00881	7.2
100.04054	3.5
101.02399	2.2
111.00874	5.9
112.04055	2.5
112.98820	11.8
119.05011	2.5
128.03545	4.4
129.01932	4.3
130.08722	2.9
131.04573	2.0
138.97995	6.6
153.07513	5.7
168.99002	3.4
173.00938	4.7
199.00592	3.4
241.01212	3.1
259.02222	21.9
259.08255	4.8
259.12582	2.9
260.02390	3.6
260.07715	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	259.0223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30884	2.4
57.03431	2.2
58.14810	1.9
59.01372	4.4
71.01392	5.8
74.02458	3.0
78.95905	100.0
82.02972	6.9
85.02957	4.7
87.00871	6.6
96.00938	3.3
96.96964	75.0
98.02448	3.2
98.97430	2.1
99.00881	7.2
100.04054	3.5
101.02399	2.2
111.00874	5.9
112.04055	2.5
112.98820	11.8
119.05011	2.5
128.03545	4.4
129.01932	4.3
130.08722	2.9
131.04573	2.0
138.97995	6.6
153.07513	5.7
168.99002	3.4
173.00938	4.7
199.00592	3.4
241.01212	3.1
259.02222	21.9
259.08255	4.8
259.12582	2.9
260.02390	3.6
260.07715	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	257.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
58.00577	0.9
58.02981	1.0
59.01374	2.8
59.70389	0.7
62.25536	0.7
62.87373	0.6
66.03460	1.8
66.55258	0.8
67.68719	0.7
70.02963	1.9
71.01379	2.4
71.60470	0.7
72.00911	4.8
72.99303	4.2
73.02934	0.9
74.02474	10.0
74.99722	2.1
82.02992	6.3
83.05025	1.1
84.04557	9.8
85.02962	2.3
86.02483	4.8
88.04035	1.1
93.03459	1.0
94.02969	0.8
96.00969	1.2
97.02932	1.2
97.04097	0.7
97.16699	0.8
98.02499	3.3
98.06110	1.1
99.00869	0.9
99.04498	0.8
99.05656	1.0
101.07215	2.8
107.05018	1.2
109.04078	2.9
110.02464	1.2
110.06096	1.3
111.04531	1.5
111.05668	1.1
112.04050	11.8
112.07710	1.3
113.02567	0.6
114.05608	3.0
115.04066	0.8
116.69962	0.8
121.55955	0.8
123.04514	1.0
124.04045	2.5
124.07677	1.9
125.02440	1.0
125.03535	1.4
125.05046	0.6
126.05618	2.8
126.09290	0.7
127.05138	20.2
127.06055	1.6
127.08762	1.9
128.03551	33.0
128.07198	3.9
129.03973	0.8
130.08727	5.9
138.05688	0.7
138.09293	1.0
138.91182	0.7
139.04100	1.1
139.05136	2.2
139.08752	0.7
140.07156	1.3
141.10352	2.0
142.05078	1.5
144.06639	1.2
145.06129	0.9
146.08282	0.8
152.07164	3.1
153.06682	1.5
155.08275	2.0
155.11966	1.0
156.06604	1.1
163.08606	0.7
165.05612	3.6
166.02852	0.8
166.05913	0.7
167.06087	3.4
167.08273	1.4
169.09874	1.3
169.13542	1.4
170.08272	1.2
182.08223	1.6
183.11429	1.2
189.94731	0.7
195.05522	1.0
195.11403	8.2
196.09749	1.5
196.14503	0.9
211.10869	1.8
213.07036	0.9
213.12543	5.6
214.15697	1.2
239.10390	21.7
257.05713	7.3
257.11444	100.0
257.23895	3.7
258.04413	2.4
258.11758	4.7
258.14621	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	256.1304
Annotation	H-ALA-ALA-PRO-OH
Peak:m/z	Relative Intensity
55.31586	0.4
57.03453	0.5
58.02978	0.5
58.13553	0.4
59.01385	2.0
65.27569	0.4
66.03493	0.5
68.05051	1.5
69.03456	1.0
69.87279	2.0
71.01385	1.3
71.02540	0.5
71.05042	0.6
72.00908	2.7
72.04551	1.5
72.99317	2.8
73.99659	0.5
74.02473	8.0
75.25514	0.4
81.03438	0.6
82.02988	5.3
83.05045	0.4
84.04558	3.7
85.02939	0.7
86.02482	3.0
87.00883	1.3
93.03483	1.4
95.05018	0.5
96.04564	0.6
97.02953	0.4
97.07685	0.7
98.02494	2.9
98.06125	1.1
98.19890	0.5
99.00896	0.4
99.05640	0.5
99.09264	0.5
100.02272	1.4
100.04050	2.6
101.07220	0.6
103.40150	0.4
107.05013	1.4
108.04562	0.6
108.05293	0.5
109.07700	0.6
110.02478	0.5
110.06103	1.4
111.04517	0.7
112.04057	11.2
112.07699	1.5
114.05630	3.2
116.84457	0.5
117.00461	0.9
120.01224	0.9
121.02971	0.8
121.06608	1.0
122.02461	0.5
122.03706	1.4
123.04535	3.2
123.05392	0.4
124.04055	0.9
124.04866	4.6
126.05613	1.4
126.09231	1.6
127.05135	1.6
127.07868	0.9
127.08781	13.4
128.03543	25.2
128.07167	1.8
128.09097	0.7
129.03937	0.5
129.06688	2.6
136.04048	0.9
138.05614	0.8
140.07222	0.8
140.10806	1.1
143.08244	5.7
144.01225	0.5
145.09793	1.5
148.07693	0.8
150.03215	5.2
150.06433	1.7
150.09277	2.7
151.07631	0.9
154.05049	0.5
154.06279	0.8
156.02934	0.6
156.06622	0.5
165.05554	2.2
166.05937	4.2
166.09880	0.5
168.10298	1.1
169.09810	1.0
170.12996	0.8
180.03986	1.6
181.05116	0.8
181.09834	0.6
182.02744	0.5
184.09760	1.4
194.02222	1.6
194.05379	1.5
194.08217	1.3
194.12962	3.9
195.02911	0.5
195.11476	1.2
196.03374	1.2
196.06195	0.6
196.09836	0.6
209.04561	8.8
210.07590	3.8
210.12445	0.6
211.99210	1.1
212.09290	6.3
212.11183	0.7
212.14006	6.1
213.06989	1.2
228.08794	1.2
228.50797	0.4
238.11972	10.4
239.05457	0.6
239.12277	0.9
255.23254	0.5
256.05484	7.2
256.08334	13.9
256.13016	100.0
256.23602	19.9
257.06558	3.1
257.11118	1.0
257.13510	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	256.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
59.01371	2.2
59.83344	1.3
67.11787	1.3
68.77116	1.2
69.03466	3.2
70.02978	2.3
70.46823	4.6
71.05020	3.7
71.73426	1.3
72.04547	11.4
72.99279	4.5
81.02190	1.3
82.02989	27.4
83.01372	3.5
83.05031	1.3
84.00896	2.3
84.04543	3.4
87.00900	3.1
87.32409	1.4
91.76733	1.3
91.81339	1.3
93.03461	4.8
95.04910	1.2
97.06561	1.7
98.02475	16.5
98.06109	6.0
98.39592	1.3
100.04050	16.6
107.05016	6.0
110.02467	5.0
110.06142	2.7
111.03258	1.9
111.04519	5.2
112.04044	6.1
112.07697	8.4
114.05668	1.4
121.06633	8.2
123.04508	5.1
124.04052	2.4
124.04855	5.7
124.07731	2.3
126.05627	11.1
126.09259	19.0
128.03526	3.6
128.07176	12.8
136.03989	1.3
138.05591	3.4
138.09222	2.8
140.07162	6.0
140.10780	5.4
148.07684	9.8
150.06447	1.7
150.09253	22.7
151.07635	2.5
154.08730	6.0
156.06657	1.9
166.02705	2.3
166.06023	6.7
166.08717	5.2
167.07193	1.2
168.10239	4.6
176.76482	1.5
180.03854	2.6
181.05023	1.9
182.02832	1.9
184.09804	10.3
194.05371	2.8
194.08189	4.8
210.07727	26.7
212.09285	39.1
228.08757	11.9
255.23323	22.5
256.05508	13.5
256.08231	100.0
256.23627	41.5
257.06335	2.7
257.08615	3.6
257.11188	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0511
Annotation	PISCIDIC ACID
Peak:m/z	Relative Intensity
55.28327	0.8
58.00595	6.0
59.01379	3.0
70.02441	4.4
71.01376	1.2
72.99309	59.8
74.07813	0.8
75.00863	3.0
75.95456	0.8
87.00866	3.7
93.03458	12.5
99.00868	2.9
106.04255	4.0
107.04366	1.5
107.05032	18.7
108.02172	1.7
119.05029	5.1
121.02930	3.1
123.04540	6.4
131.05029	4.0
133.02939	8.0
135.04567	4.7
147.04518	5.3
149.06067	11.2
151.04071	1.0
162.02794	0.9
163.03996	3.7
165.05573	100.0
166.05856	3.1
175.03975	2.2
179.03500	29.3
180.03891	1.3
181.05110	1.9
192.91599	0.9
193.05063	23.7
194.05440	1.0
195.02867	0.9
209.04599	2.1
211.06070	1.3
216.10815	0.9
255.05104	87.9
255.23277	17.0
256.05420	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	255.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	7.2
59.01384	2.2
63.27518	1.2
68.09669	1.4
71.43449	1.3
71.43810	2.1
72.99311	49.2
73.14136	1.2
75.00891	1.9
75.64114	1.2
83.18394	1.3
87.00881	12.9
89.45861	1.2
93.03463	11.5
98.20555	1.3
99.00900	2.2
100.94136	1.3
106.04221	2.6
107.05042	16.3
108.02170	2.4
109.02960	1.5
119.05038	4.0
121.02911	2.5
121.06599	1.6
122.03761	2.4
123.04537	63.1
124.04900	1.8
125.53197	1.2
131.05067	3.4
133.02942	8.2
135.04539	4.2
147.04514	5.6
149.06088	26.6
150.03273	2.6
163.03992	2.0
165.05577	87.5
166.05901	3.1
175.04086	1.8
179.03506	22.7
193.05074	27.4
194.05351	1.5
195.03009	11.6
211.06189	3.1
213.24197	1.4
219.02998	1.4
237.03992	1.9
255.05118	100.0
255.23305	9.5
256.05371	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	253.2172
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
50.65337	0.3
54.36245	0.3
59.01376	1.5
69.29781	0.3
71.34758	0.6
77.22009	0.3
86.55148	0.4
96.48940	0.3
180.76184	0.4
253.21713	100.0
254.22064	7.0
260.07846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2173
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
59.01368	25.0
66.92805	10.3
69.29975	100.0
75.48844	10.1
76.04339	10.8
89.76357	11.0
104.40790	9.6
110.61909	12.1
142.35271	9.1
143.81207	10.0
174.03694	10.3
246.26787	11.5
253.21800	69.6
273.33295	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	255.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	7.2
59.01384	2.2
63.27518	1.2
68.09669	1.4
71.43449	1.3
71.43810	2.1
72.99311	49.2
73.14136	1.2
75.00891	1.9
75.64114	1.2
83.18394	1.3
87.00881	12.9
89.45861	1.2
93.03463	11.5
98.20555	1.3
99.00900	2.2
100.94136	1.3
106.04221	2.6
107.05042	16.3
108.02170	2.4
109.02960	1.5
119.05038	4.0
121.02911	2.5
121.06599	1.6
122.03761	2.4
123.04537	63.1
124.04900	1.8
125.53197	1.2
131.05067	3.4
133.02942	8.2
135.04539	4.2
147.04514	5.6
149.06088	26.6
150.03273	2.6
163.03992	2.0
165.05577	87.5
166.05901	3.1
175.04086	1.8
179.03506	22.7
193.05074	27.4
194.05351	1.5
195.03009	11.6
211.06189	3.1
213.24197	1.4
219.02998	1.4
237.03992	1.9
255.05118	100.0
255.23305	9.5
256.05371	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	253.0929
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
51.73810	1.8
51.81383	1.9
56.63625	2.6
59.01381	100.0
59.45194	1.9
59.91747	1.8
69.88541	10.6
70.98830	1.8
71.01379	7.3
73.02939	2.4
83.01396	1.9
85.02942	2.9
87.00887	5.8
89.02440	7.5
101.02449	8.8
103.18238	1.7
106.46293	1.7
113.02403	4.0
132.78714	1.8
154.67955	2.0
161.04565	8.6
193.07130	20.4
200.50336	1.9
249.02000	2.2
253.09296	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	253.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	2.7
59.01381	100.0
69.76646	5.4
69.77051	2.7
72.99310	4.5
87.00877	55.5
103.00374	50.4
116.06538	1.3
121.02961	88.2
122.03275	2.3
130.99870	22.7
136.83250	1.5
156.37041	1.1
217.96996	1.3
251.01154	1.5
253.03517	3.0
274.49493	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09217	1.1
58.00601	3.4
59.01381	100.0
69.67267	2.3
69.67677	5.4
72.99323	4.0
82.60376	1.3
84.49235	1.3
87.00484	0.7
87.00879	48.8
103.00373	52.2
106.88063	1.3
108.55724	1.5
112.98811	2.1
121.02957	89.5
122.03250	1.8
130.99876	25.7
185.90082	1.3
237.95354	1.3
253.03557	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	251.0559
Annotation	Desmethyldiaportinol
Peak:m/z	Relative Intensity
51.52346	0.3
52.93003	0.3
54.44041	0.3
59.49617	0.3
65.00352	0.4
66.01118	0.5
69.33950	3.1
80.96516	7.7
80.96987	0.6
88.52001	0.3
89.31772	0.3
94.00637	0.6
149.99593	2.0
177.99063	10.1
178.99400	0.7
179.03340	0.5
193.01372	0.6
205.98558	100.0
206.98900	4.0
221.00905	92.1
222.01225	4.2
236.03255	73.8
237.03603	3.1
239.32008	0.4
251.05562	9.5
252.05943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2018
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01374	1.6
70.36015	0.6
70.36361	1.9
71.01355	0.7
74.91655	0.6
116.86626	0.5
116.98460	0.5
145.26340	0.5
163.00333	0.8
233.19164	1.3
239.45393	0.5
251.20171	100.0
252.20496	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	250.0721
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
52.12447	0.7
59.01376	2.1
59.10347	0.7
69.38591	5.9
71.01385	1.5
82.02959	1.1
84.00913	7.6
85.02973	0.9
86.02490	2.5
87.00880	1.2
93.03459	3.0
96.96027	0.8
101.02443	0.9
104.03539	35.5
112.00390	0.7
117.03454	7.3
119.05029	83.0
120.05386	2.6
120.72392	0.7
121.02927	1.0
130.01460	39.7
135.04590	0.9
145.02954	100.0
146.03355	3.7
147.04517	1.8
161.02356	0.7
161.06023	1.0
162.05597	18.8
162.06915	1.2
163.04007	1.2
174.05402	0.7
176.07141	2.9
179.03377	0.7
189.09186	1.0
190.05167	0.8
199.87563	0.7
204.06645	11.6
207.06558	1.1
232.06134	1.5
242.53178	0.8
250.07188	55.0
250.14401	18.4
251.07472	3.8
251.14726	0.9
269.20169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
63.34203	0.4
69.52446	1.6
69.52866	1.5
70.02982	0.6
71.01380	6.8
73.80364	0.4
81.14948	0.5
88.04041	78.6
89.04392	1.0
91.05531	2.7
100.09668	0.4
103.90301	0.5
109.54633	0.4
114.01964	5.5
115.00372	14.0
117.03399	0.5
132.03027	100.0
133.03400	1.7
134.06129	0.8
135.04514	4.3
155.73184	0.5
206.08223	1.4
232.06142	0.6
250.07188	17.6
251.07568	0.9
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	Unknow
Peak:m/z	Relative Intensity
59.16623	0.7
69.94050	2.5
69.94453	1.1
72.99333	0.7
84.00881	1.8
86.02480	2.8
87.33253	0.7
98.20691	0.8
104.03540	97.5
116.36010	0.7
117.03464	13.2
119.05029	60.3
120.05329	2.6
130.01463	27.8
131.01776	0.7
144.04614	1.0
145.02954	100.0
146.03290	3.9
160.39439	0.8
162.05544	5.4
163.03935	0.8
177.05547	0.9
189.05389	0.9
204.06738	2.8
250.07191	28.4
250.14429	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	249.186
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01373	2.4
59.30653	0.6
61.36879	0.5
71.38556	0.7
87.56842	0.6
93.83931	0.5
95.31851	0.5
99.15386	0.5
161.02437	0.7
205.15958	0.7
205.19588	1.1
231.17578	0.6
247.16963	0.7
249.18593	100.0
250.14534	7.3
250.18915	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62036	0.5
59.01374	1.0
69.38343	2.5
69.38759	1.9
70.02993	0.8
71.01391	6.1
72.00884	0.7
82.97765	0.5
83.23595	0.5
88.04041	87.9
89.04349	0.9
91.05524	1.9
98.20689	1.0
107.64796	0.5
114.01972	4.7
115.00377	15.8
132.03029	100.0
133.03360	1.2
134.06117	0.7
135.04506	4.6
206.08235	2.4
246.82329	0.6
250.07185	18.3
252.10054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1701
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
50.62613	0.1
59.01345	0.1
59.37442	0.1
69.35035	1.2
82.31106	0.1
86.35084	0.1
92.37495	0.1
124.63512	0.1
184.00142	0.4
199.12340	0.2
205.16006	0.3
220.17096	0.3
231.13924	0.5
246.84087	0.1
247.17018	100.0
248.17348	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	249.1496
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
56.04895	1.8
59.01376	8.8
69.03459	36.7
70.37524	4.0
70.86871	1.7
81.29642	2.1
81.36764	1.6
81.69466	1.9
83.04989	2.8
83.32615	1.6
95.05006	5.0
97.06592	3.2
134.07352	1.8
135.08090	1.9
149.13432	3.8
167.10774	3.8
175.11174	1.8
187.14880	5.0
193.12280	10.6
203.14406	2.7
205.12277	8.7
205.15976	14.8
221.15465	18.0
231.13889	33.1
249.14943	100.0
250.14932	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	246.0172
Annotation	Pyridoxal-5'-phosphate hydrate 
Peak:m/z	Relative Intensity
54.45016	0.4
59.01372	1.0
61.98830	0.6
62.96429	1.0
69.57314	1.9
69.57739	1.0
75.00879	0.4
78.95908	76.7
80.96540	0.4
82.03015	0.4
85.28799	0.4
87.00864	0.6
88.04046	0.6
96.96967	100.0
98.19900	0.9
102.05626	0.4
114.05624	0.7
119.41748	0.4
128.03506	0.5
148.04044	1.1
166.05084	0.6
186.95602	0.5
206.86206	0.4
218.02315	0.6
228.00549	2.0
246.01759	4.1
246.06311	0.4
247.08255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1187
Annotation	oscr#9
Peak:m/z	Relative Intensity
54.85463	0.3
59.01382	1.0
69.94919	1.9
70.74815	0.4
71.01389	0.8
72.99306	6.9
73.02946	0.4
75.00874	100.0
76.01213	0.9
83.05010	0.5
85.02967	0.6
87.00871	0.6
96.96034	0.4
97.02956	0.4
99.00887	0.4
119.05047	0.6
120.67918	0.4
122.06181	0.4
143.06183	0.6
147.04497	0.6
153.09300	1.8
159.04535	1.0
163.04102	0.4
173.02559	0.3
175.04015	0.7
176.04723	0.5
178.73358	0.4
186.95663	0.6
192.01306	0.6
203.03542	0.4
203.07133	0.7
217.09833	0.6
232.03656	0.4
247.06654	2.1
247.11867	85.3
248.12170	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1182
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
61.98805	0.7
62.54784	0.4
71.00047	0.7
74.25049	0.4
83.20705	0.3
89.08393	0.4
93.03467	0.5
99.92602	0.4
100.92562	0.6
117.03466	22.9
118.03704	0.6
119.05028	100.0
120.05366	3.6
121.02958	6.2
123.04527	1.6
132.05791	1.5
133.02928	1.1
134.03732	0.7
145.02953	40.8
146.03265	1.9
162.03162	0.9
163.04008	45.2
164.04364	1.6
181.32559	0.4
191.14391	1.3
227.18114	0.5
245.11818	78.9
245.19046	20.6
246.12172	5.9
246.19383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1393
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03447	1.6
59.01389	0.5
59.04350	0.3
69.32308	2.5
69.32718	0.8
71.05001	1.5
73.02943	0.5
74.35691	0.3
74.40533	0.4
79.57092	0.4
83.05016	1.1
97.06583	1.4
99.00900	0.5
109.06624	0.3
111.08144	2.9
120.29603	0.4
125.09731	0.9
147.43433	0.4
154.60356	0.4
155.14436	1.9
161.02480	0.6
163.11301	0.7
165.12848	18.4
166.13109	0.8
171.10345	0.7
181.12347	0.6
183.13895	21.5
184.14240	0.9
199.13370	1.0
201.14946	10.2
201.16727	0.7
202.15279	0.6
207.10234	0.7
209.11821	14.2
210.12164	1.1
225.11276	1.6
227.12878	52.1
228.13220	2.3
243.12358	1.1
245.13925	100.0
246.14262	5.9
260.53177	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07411	0.9
53.90289	0.9
58.02703	1.2
58.02976	20.7
69.46183	6.4
70.02973	14.9
72.00912	6.2
72.04539	3.9
74.02473	100.0
83.63168	0.9
84.04539	1.1
98.02475	23.8
116.03548	27.8
116.05061	36.6
118.35035	0.8
130.06621	4.6
132.60928	0.8
142.06613	10.6
156.08165	0.9
159.09274	5.8
183.09312	2.4
186.05620	1.9
201.10300	7.9
202.10681	0.9
203.08260	87.9
204.08589	4.5
245.09296	71.0
246.09615	3.2
253.83430	0.8
259.07205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12663	1.6
51.87387	1.4
53.59520	1.4
58.00592	7.1
58.02978	1.4
59.01378	20.1
65.78496	1.5
69.61993	9.8
71.01383	11.2
72.02168	2.0
72.99308	4.3
73.02952	2.5
74.02470	8.4
78.95885	11.0
81.07112	2.4
85.02970	4.5
87.00880	18.6
89.02435	8.5
95.05032	3.7
96.96964	5.6
97.06596	16.0
99.08160	10.7
101.02435	2.7
102.38264	1.6
103.08690	1.7
104.03527	2.4
105.01948	2.1
108.02188	3.4
109.06596	5.8
112.01669	1.9
123.04542	1.7
125.06087	5.3
127.07658	100.0
128.07980	2.9
129.01947	3.6
129.09241	8.8
129.10341	12.6
129.47884	1.6
130.08748	11.3
135.04544	3.1
137.06081	8.2
139.07668	8.2
140.07159	2.8
141.10309	13.0
144.00639	2.8
147.03018	3.4
152.99594	5.6
155.07147	43.7
157.08751	4.0
167.07100	2.1
171.00638	2.2
171.06641	2.5
183.11366	4.7
185.08209	5.0
201.04103	1.7
215.10378	11.7
227.10544	3.0
245.04689	7.6
245.10777	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	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02973	23.3
69.45974	4.6
69.46402	2.1
70.02978	15.8
72.00900	5.0
72.04547	3.1
74.02473	100.0
76.19363	0.7
83.78590	0.8
98.02478	25.3
98.20755	0.8
116.03545	31.7
116.05055	35.6
117.05421	2.0
130.06633	5.1
142.06625	8.4
159.09283	6.9
183.09277	2.3
186.05576	1.4
201.10320	8.7
202.20227	0.7
203.08253	89.7
204.08612	4.4
232.90765	0.9
245.09309	84.1
246.09694	4.0
266.54980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0433
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
59.01381	84.0
70.27224	3.0
71.01378	24.8
71.42062	5.8
75.41015	3.4
78.95900	65.1
83.01368	5.5
89.02447	36.9
96.96972	5.0
99.51872	3.0
101.02444	86.2
106.76737	3.4
113.02504	5.6
119.03500	100.0
143.03537	3.6
149.04532	6.7
152.99580	46.0
171.00685	16.4
199.04453	3.4
209.06621	35.8
245.04340	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	2.2
59.01379	34.9
60.16714	1.0
71.01392	6.6
71.60073	1.8
72.99310	5.2
73.02962	1.4
73.63799	1.2
73.94379	1.1
85.02948	2.3
87.00880	57.5
87.92512	6.4
95.02552	1.0
99.92570	2.2
102.94889	28.5
103.92039	20.7
104.92801	12.3
106.94339	1.3
113.02431	2.0
115.92077	2.4
116.92825	1.9
123.94616	1.7
128.96439	3.3
129.00087	3.7
130.94385	3.5
130.98053	6.5
142.94370	4.6
142.98015	10.9
145.96727	1.6
146.93875	56.8
156.95932	10.0
158.93855	2.3
165.95642	2.3
169.20364	1.1
170.97517	20.8
172.99068	20.1
173.00473	1.4
174.96954	1.2
174.99249	6.1
184.87671	15.2
184.95424	9.3
186.96970	12.1
189.95638	2.8
193.86270	1.3
193.95174	6.9
200.93236	1.7
200.94951	13.6
200.98581	12.2
202.88730	20.3
203.88905	1.3
203.97321	2.9
207.96765	7.0
214.96472	21.6
217.95264	3.4
223.79062	1.2
242.95992	1.6
244.97519	100.0
245.08134	1.8
245.11754	1.3
245.97867	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	244.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.8
61.98839	3.5
69.71323	4.5
69.71732	2.5
71.01385	2.9
74.02501	1.5
78.95910	4.9
82.02992	1.6
82.45957	1.5
83.99950	1.3
87.00868	3.1
88.04073	1.7
95.01401	3.7
96.01740	4.2
97.06612	1.7
98.02480	1.5
98.99098	3.8
100.04079	3.7
110.06137	8.0
113.03578	3.2
114.05638	2.0
115.76472	1.4
116.07171	3.2
122.06132	23.5
127.07638	8.9
128.03545	1.8
130.08746	12.9
132.86789	1.4
138.03835	3.2
138.09277	1.7
139.07617	1.7
143.11914	4.1
151.00362	3.4
152.00703	8.1
152.99606	2.0
155.07143	3.8
156.03737	2.7
156.04903	26.6
164.78624	1.5
166.05072	3.2
166.79099	1.4
167.09236	1.4
172.06187	1.6
184.03305	5.8
198.07687	1.7
200.03873	100.0
201.04213	3.5
227.10446	2.6
244.02863	57.3
244.05455	5.9
244.08116	1.9
244.13055	4.4
245.04634	1.9
245.10248	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	243.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11950	1.7
59.01364	2.8
61.37676	1.4
61.98830	7.3
67.01894	2.2
71.61551	1.5
82.02938	1.6
83.05019	2.1
99.92582	8.7
109.06628	1.8
110.02461	3.8
111.00906	2.3
115.92096	1.5
116.16630	1.4
163.03848	1.3
163.11302	1.5
171.10242	1.8
175.73416	1.6
183.13885	8.4
189.05548	1.7
193.12276	2.2
199.04117	1.7
199.09677	3.2
200.05544	1.5
211.13383	100.0
212.13756	5.2
225.11342	2.7
243.10258	5.7
243.12396	4.3
243.15834	2.8
248.81190	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.57787	0.5
59.01375	1.4
61.25027	0.5
71.05019	1.8
82.53757	0.6
83.05018	0.8
87.13028	0.6
97.02939	2.4
97.06581	1.2
99.00883	12.7
107.48780	0.6
110.03735	0.8
123.08163	0.7
125.09753	4.2
142.02687	1.0
153.12831	0.7
155.14455	0.8
163.11296	4.1
171.10306	0.8
181.12346	16.3
182.12599	0.7
197.11815	2.2
199.13400	26.6
200.13705	1.3
207.08299	1.3
207.10263	26.6
208.10648	1.6
225.11325	53.7
226.11627	2.9
243.12369	100.0
244.12711	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.02641	0.6
57.03431	0.8
59.01371	2.1
69.42464	3.3
69.42889	1.5
71.01380	1.4
71.05024	3.1
83.05016	1.3
97.02950	3.4
97.06599	1.1
99.00882	12.0
109.06574	0.8
109.50164	0.5
110.03760	0.8
123.08151	1.1
123.94030	0.6
125.09718	6.0
127.11301	4.3
136.05312	0.6
139.11252	0.8
153.12880	1.5
155.14438	1.5
163.11281	5.8
181.12347	21.9
182.12671	1.1
197.11830	2.5
199.13388	44.8
200.13748	2.4
207.10254	33.1
208.10577	1.5
225.11310	68.4
226.11659	4.0
235.52780	0.7
243.12367	100.0
244.12712	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	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03439	1.1
59.01360	1.7
68.15813	0.6
70.13766	3.1
71.01374	1.0
71.05016	2.8
75.05963	0.8
77.68275	0.8
83.05026	1.1
97.02948	7.5
97.06578	2.6
98.20539	0.9
99.00238	1.4
99.00882	23.9
106.93513	0.8
109.06580	1.9
110.03716	2.1
123.08176	1.6
125.09725	8.9
127.11283	2.0
132.64584	0.7
135.08232	1.3
136.05219	1.7
142.02695	2.2
155.14349	2.4
161.57533	0.7
163.11292	10.6
164.11739	0.8
179.10863	1.0
181.12338	29.8
182.12639	1.5
183.25273	0.8
189.09033	1.0
197.11823	1.8
199.13393	24.4
200.13849	0.8
207.10260	54.2
208.10594	2.4
225.11317	98.6
226.11673	4.4
243.12363	100.0
244.12677	6.4
264.10318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
55.01866	0.8
59.01369	1.0
59.38787	0.6
66.03487	12.8
68.01418	2.5
70.02983	0.6
71.01369	3.0
71.60770	1.1
82.02987	29.9
83.01408	0.8
84.04546	2.0
94.03004	3.1
96.04549	1.9
108.04549	2.3
110.02480	100.0
111.02018	5.8
111.02821	1.9
112.04052	1.4
112.67638	0.7
113.64717	0.7
114.01895	0.7
114.05594	1.2
122.02476	8.0
124.04031	3.0
126.05611	1.1
127.05134	0.7
128.03534	1.4
129.10300	1.3
132.03043	0.7
140.03531	10.2
152.03535	16.3
153.03020	8.7
153.04135	0.7
158.03246	0.7
182.04669	1.0
200.05640	37.5
201.05998	1.0
225.08861	1.1
227.50304	0.6
243.06221	27.6
243.09741	3.1
244.06482	1.3
244.12794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.9
55.33252	1.4
57.03447	2.6
58.50185	1.4
59.01385	17.2
61.98816	2.6
64.20898	1.1
66.03477	4.7
69.03460	3.0
70.02974	2.2
70.16837	1.3
71.01383	3.2
71.05030	1.8
71.60627	2.7
72.04539	3.2
72.99298	2.6
74.02486	1.4
76.50624	1.3
80.05048	1.6
81.03469	1.8
82.02979	20.6
83.01386	6.0
84.00931	2.4
84.04546	6.2
85.06600	8.6
87.00872	8.9
94.02987	2.5
95.05000	1.9
96.04562	3.8
97.02953	5.2
98.02482	8.8
98.06129	1.8
99.00887	2.2
99.04507	2.1
100.04041	7.7
101.02435	1.8
103.00359	3.7
107.05019	23.6
108.04641	1.7
109.02931	1.6
109.04095	1.6
110.02488	21.2
110.06119	3.8
111.04474	2.0
112.04046	15.6
112.07683	59.7
113.08019	1.9
114.05586	1.9
117.83336	1.4
119.04972	1.7
122.02478	3.0
124.04049	7.2
124.07671	7.9
125.06090	4.6
125.17119	1.2
126.05583	3.6
126.09237	5.5
127.05114	2.3
128.03540	7.2
134.06137	5.9
136.07689	22.1
137.06035	4.2
138.01945	1.5
138.05609	4.8
140.03508	2.4
140.07179	25.5
142.05060	3.2
150.05530	2.3
152.03598	1.5
152.07161	4.0
153.05566	3.0
154.05078	1.7
154.08727	5.3
155.07182	3.3
167.01802	1.7
167.33064	1.4
168.06607	2.9
170.08215	14.6
180.04283	1.8
180.06657	4.1
181.07689	2.9
196.06157	26.6
196.65475	1.5
198.07710	44.8
199.10847	1.4
200.05649	3.9
214.07233	13.8
224.05653	3.2
231.56166	1.3
242.06680	100.0
243.06905	1.7
243.15958	1.6
247.54562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51691	1.4
55.01877	4.6
59.01363	3.1
66.03503	2.6
69.03484	1.6
69.67075	4.7
69.67496	4.9
71.01363	2.2
72.04555	10.4
82.02515	3.1
82.02985	46.0
83.01374	5.6
83.03303	1.5
84.04524	2.9
85.06594	6.4
87.00899	2.3
96.00911	4.4
96.04554	2.0
97.01236	1.7
97.02925	3.2
98.02486	8.8
99.00883	5.3
100.04055	17.4
101.02429	1.5
107.05038	20.6
110.02489	18.6
110.06105	3.7
111.00878	1.9
111.03243	2.9
112.04061	17.8
112.07687	56.9
112.98806	5.4
113.99153	1.5
114.05600	4.8
114.39303	1.4
119.05019	4.1
122.02480	1.4
124.04019	5.6
124.07702	6.7
125.06099	3.8
126.05591	3.5
126.09212	2.9
128.03532	5.5
134.06107	4.1
136.07695	21.5
137.06085	3.2
137.07108	1.8
138.05624	2.0
140.03606	2.2
140.07187	26.5
142.05069	2.8
142.99861	5.4
150.05612	1.5
151.00397	3.0
152.03603	3.3
152.07124	3.4
153.03047	2.0
153.05553	2.0
154.08754	4.1
155.07178	2.2
163.03947	2.0
168.06659	2.6
170.08224	10.6
173.00887	5.0
174.01285	1.5
180.06659	5.0
183.02873	1.6
196.06152	30.7
197.06377	2.0
198.07729	44.6
199.08138	1.4
200.05688	4.9
214.07211	13.6
223.49567	1.4
242.06703	100.0
243.06992	7.4
243.09187	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	7.7
57.00303	1.4
59.01378	3.3
69.03463	2.4
69.66843	10.0
82.02983	15.4
83.01388	4.6
84.04556	2.1
85.06581	8.8
94.02993	2.8
95.04987	1.4
96.04533	1.5
97.02948	5.5
98.02469	4.2
98.36738	1.4
99.04513	1.5
100.04015	6.6
103.10898	1.4
107.05019	26.4
110.02473	4.7
110.06097	6.8
111.03243	1.8
112.04058	17.9
112.07684	73.1
113.07992	2.1
120.75869	1.5
124.04031	7.5
124.07651	10.0
125.06068	6.2
126.05547	2.2
126.09228	4.8
128.03523	2.4
134.06128	4.7
136.07669	21.7
137.06142	3.5
137.08038	1.8
138.05589	2.6
140.07175	31.7
142.05103	2.9
150.05618	2.4
152.07202	3.4
153.05582	4.3
154.08714	5.5
155.07080	2.5
168.06645	2.7
170.08221	14.4
180.06685	5.5
181.07674	4.9
196.06128	32.8
197.06528	1.5
198.07703	48.3
211.33211	1.6
214.07172	13.5
242.06691	100.0
243.07175	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	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
59.01368	1.4
66.01048	0.4
69.41293	3.9
70.44010	0.4
71.01387	1.2
73.02950	2.3
81.90398	0.5
83.05038	0.6
87.00877	2.1
88.04057	0.5
97.06580	0.5
97.26538	0.4
113.10107	0.4
119.61440	0.4
122.36486	0.5
125.09772	0.8
137.09724	1.2
151.11270	1.9
153.09206	0.6
153.12766	0.6
155.10735	0.9
161.09694	1.0
162.86102	0.4
169.12338	100.0
170.12700	3.9
179.10751	1.7
181.08727	0.8
183.10278	1.1
197.11823	17.7
198.12198	1.0
213.11287	0.9
213.14842	0.7
220.08568	0.5
223.09732	2.5
226.06342	0.9
241.05133	1.5
241.08737	1.3
241.10822	34.5
241.13451	1.8
241.14339	1.4
241.21790	1.1
242.11183	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74826	0.4
54.03371	0.5
54.07111	0.5
54.78463	0.4
56.65903	0.4
57.03440	1.9
57.12136	0.5
61.78098	0.5
61.98825	1.1
66.38625	0.5
67.07425	0.5
67.50957	0.5
69.03506	0.6
81.03453	0.7
83.05033	4.0
95.05027	1.7
97.06590	11.3
99.20060	0.5
109.06615	1.0
111.08164	10.8
119.64776	0.5
143.80064	0.5
147.11789	1.6
149.09723	0.9
163.11298	3.8
165.12848	100.0
166.13187	5.6
197.15471	19.5
198.15796	1.1
209.11823	5.0
240.99553	0.6
241.14465	3.0
241.18158	0.9
241.21683	0.9
242.17528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
56.03575	0.4
57.03458	1.4
59.01384	0.7
60.81183	0.5
61.53038	0.4
62.65360	0.4
69.03460	2.6
71.05028	4.1
82.81057	0.5
83.05010	0.9
123.08179	1.4
125.09709	2.0
137.09764	0.5
145.05324	0.5
151.11270	1.2
153.12857	4.0
161.09744	1.4
179.10794	6.1
197.11835	100.0
198.12184	5.9
223.09755	3.1
241.10820	73.1
241.21768	1.0
242.11139	4.3
258.80423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
57.03446	1.7
58.02971	0.8
59.01379	3.9
60.99298	0.8
69.03450	1.4
69.56743	5.3
69.57079	1.1
70.02968	1.2
71.01376	3.5
71.02505	1.3
72.04550	11.9
72.30613	0.8
73.02949	1.8
79.04834	0.8
81.03466	1.2
82.02986	62.9
83.01408	4.2
83.05025	1.5
84.00925	1.1
84.04542	1.8
85.02946	1.8
85.06593	3.1
86.02491	2.5
87.00836	1.0
88.04046	2.0
93.03457	2.6
95.05039	2.3
96.00918	100.0
96.04562	2.7
96.08176	1.3
97.01254	1.8
97.02946	2.7
97.06580	1.0
98.02482	21.2
98.06104	2.5
98.19869	1.4
99.00893	4.1
99.04536	0.8
100.04047	20.5
101.02441	1.0
106.04250	1.2
106.06574	0.9
107.05025	10.3
109.04054	1.1
109.50285	0.7
110.02466	2.1
110.06146	4.5
110.07246	1.1
111.00874	2.6
111.04533	4.7
111.30261	0.9
112.00359	0.9
112.04054	7.1
112.06916	1.7
112.07685	27.7
112.98830	7.9
113.03593	4.0
113.07202	2.0
114.01962	1.9
114.05606	3.1
115.00390	1.1
115.03987	1.3
116.03526	2.1
119.05036	2.0
122.32256	0.8
123.04514	3.8
124.04044	3.3
124.07696	4.0
125.06075	2.1
126.01981	17.6
126.05608	2.3
126.09266	3.0
127.00408	0.8
127.05130	2.6
128.03569	1.9
129.01956	1.8
134.06107	2.8
135.04529	1.1
136.07677	8.6
137.02469	1.3
137.03569	1.8
137.06079	3.8
138.01965	1.3
138.05574	1.9
140.07179	12.5
142.05145	1.1
142.99892	5.8
144.03036	3.6
145.01424	1.2
147.39850	0.7
149.06067	2.7
150.09239	2.8
151.05144	2.2
152.07161	2.3
153.05611	1.4
153.06737	3.2
153.99693	1.2
154.05098	1.8
154.08757	2.4
155.07137	1.0
162.09291	1.8
163.03978	2.0
167.08109	0.9
168.06567	1.7
169.06248	3.8
169.09818	1.4
170.08231	7.6
173.00946	5.5
179.04610	21.3
179.08247	1.1
180.03058	1.7
180.05150	0.9
180.06691	2.6
181.04974	1.0
181.06358	0.9
182.04555	1.8
182.08217	4.1
193.05075	2.3
194.08177	7.7
195.02400	1.3
195.04102	10.8
195.07797	0.8
196.04410	1.1
196.06126	15.3
197.05615	2.0
197.09273	3.6
198.07721	21.0
205.03574	2.0
208.98611	1.4
212.09232	1.6
213.05157	2.7
214.07219	7.5
223.03613	1.9
224.09207	3.8
241.04662	17.6
241.08385	6.1
241.12105	1.2
241.21829	1.4
242.06708	45.2
242.10170	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	241.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
57.03446	1.7
58.02971	0.8
59.01379	3.9
60.99298	0.8
69.03450	1.4
69.56743	5.3
69.57079	1.1
70.02968	1.2
71.01376	3.5
71.02505	1.3
72.04550	11.9
72.30613	0.8
73.02949	1.8
79.04834	0.8
81.03466	1.2
82.02986	62.9
83.01408	4.2
83.05025	1.5
84.00925	1.1
84.04542	1.8
85.02946	1.8
85.06593	3.1
86.02491	2.5
87.00836	1.0
88.04046	2.0
93.03457	2.6
95.05039	2.3
96.00918	100.0
96.04562	2.7
96.08176	1.3
97.01254	1.8
97.02946	2.7
97.06580	1.0
98.02482	21.2
98.06104	2.5
98.19869	1.4
99.00893	4.1
99.04536	0.8
100.04047	20.5
101.02441	1.0
106.04250	1.2
106.06574	0.9
107.05025	10.3
109.04054	1.1
109.50285	0.7
110.02466	2.1
110.06146	4.5
110.07246	1.1
111.00874	2.6
111.04533	4.7
111.30261	0.9
112.00359	0.9
112.04054	7.1
112.06916	1.7
112.07685	27.7
112.98830	7.9
113.03593	4.0
113.07202	2.0
114.01962	1.9
114.05606	3.1
115.00390	1.1
115.03987	1.3
116.03526	2.1
119.05036	2.0
122.32256	0.8
123.04514	3.8
124.04044	3.3
124.07696	4.0
125.06075	2.1
126.01981	17.6
126.05608	2.3
126.09266	3.0
127.00408	0.8
127.05130	2.6
128.03569	1.9
129.01956	1.8
134.06107	2.8
135.04529	1.1
136.07677	8.6
137.02469	1.3
137.03569	1.8
137.06079	3.8
138.01965	1.3
138.05574	1.9
140.07179	12.5
142.05145	1.1
142.99892	5.8
144.03036	3.6
145.01424	1.2
147.39850	0.7
149.06067	2.7
150.09239	2.8
151.05144	2.2
152.07161	2.3
153.05611	1.4
153.06737	3.2
153.99693	1.2
154.05098	1.8
154.08757	2.4
155.07137	1.0
162.09291	1.8
163.03978	2.0
167.08109	0.9
168.06567	1.7
169.06248	3.8
169.09818	1.4
170.08231	7.6
173.00946	5.5
179.04610	21.3
179.08247	1.1
180.03058	1.7
180.05150	0.9
180.06691	2.6
181.04974	1.0
181.06358	0.9
182.04555	1.8
182.08217	4.1
193.05075	2.3
194.08177	7.7
195.02400	1.3
195.04102	10.8
195.07797	0.8
196.04410	1.1
196.06126	15.3
197.05615	2.0
197.09273	3.6
198.07721	21.0
205.03574	2.0
208.98611	1.4
212.09232	1.6
213.05157	2.7
214.07219	7.5
223.03613	1.9
224.09207	3.8
241.04662	17.6
241.08385	6.1
241.12105	1.2
241.21829	1.4
242.06708	45.2
242.10170	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	239.2017
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
52.15702	0.5
52.67892	0.5
59.01392	5.6
61.98817	1.8
65.85796	0.5
66.99716	0.5
69.50740	4.1
70.19581	0.5
71.01366	1.0
78.99172	0.5
142.79361	0.5
153.01527	0.4
179.05620	2.1
184.50830	0.5
195.13853	1.2
207.04132	2.5
210.94179	0.5
221.19148	0.9
223.02843	1.9
223.08463	0.5
239.06764	6.8
239.20172	100.0
240.20525	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	239.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02986	1.2
53.67379	1.3
57.03453	9.2
59.01380	25.1
61.98832	4.1
64.05298	1.2
69.03476	1.2
69.57053	4.2
69.57484	4.3
71.01385	1.5
74.99079	1.3
78.21825	1.3
83.01379	1.4
85.02953	4.2
87.00869	3.6
89.82423	1.2
93.00118	1.5
95.05037	2.4
97.02948	1.3
97.06596	1.6
99.00869	1.5
107.90910	1.2
109.06648	1.5
113.09731	35.0
114.10079	1.1
123.08170	3.3
125.06084	3.1
132.12666	1.2
135.87624	1.1
139.03976	2.1
151.00426	1.7
151.63217	1.1
154.06357	3.9
158.89386	1.1
161.04546	2.9
167.29344	1.1
177.05627	1.3
179.05592	22.3
182.05786	1.3
195.13951	14.1
195.17505	11.5
206.99707	1.4
211.17058	2.9
221.11888	1.6
221.15393	6.2
223.02818	10.9
239.07130	2.9
239.13060	7.1
239.16519	100.0
240.16837	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
52.37710	0.6
52.68653	0.5
55.01867	0.6
59.01374	0.8
59.22541	0.6
69.03455	0.9
69.85397	0.6
70.15677	2.5
82.11055	0.6
95.05030	1.1
101.06092	7.2
109.06589	5.4
111.08163	5.8
122.03779	0.7
122.52872	0.6
125.09724	2.3
135.11749	0.9
138.06828	1.1
139.04015	14.7
154.06351	27.9
167.14423	10.3
168.14803	0.8
179.05624	1.4
179.10718	3.9
182.05919	3.5
195.13899	100.0
196.14244	5.6
205.92609	0.7
239.12849	6.4
239.16493	1.5
240.13345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.42558	0.5
58.39477	0.5
59.01387	2.5
69.28397	2.1
69.28831	2.0
69.33939	0.4
76.69053	0.4
80.49232	0.4
81.89869	0.4
83.05014	0.6
97.06594	0.6
177.12869	3.1
179.05588	0.5
195.13902	100.0
196.14258	4.8
202.77048	0.4
203.10789	0.6
213.53333	0.4
221.11763	0.5
230.55635	0.6
239.12869	12.1
239.15114	0.8
239.16570	0.5
240.13248	0.8
241.37654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69571	3.0
58.02974	4.6
59.01381	100.0
68.02544	7.8
69.03459	3.3
71.01383	17.4
71.59438	4.5
72.99325	5.8
75.00906	3.9
85.02961	28.5
87.00882	31.6
88.04051	14.3
88.23490	3.1
89.02445	10.5
99.00861	7.0
101.02412	5.4
104.17924	3.3
113.02504	4.4
115.00378	5.0
124.04051	2.8
124.05161	12.9
125.02467	4.9
125.03564	4.8
131.03477	15.3
132.03011	7.9
133.06630	2.9
135.04442	4.2
135.08145	4.3
136.30054	3.2
136.99161	5.5
138.05609	4.1
149.06102	3.9
150.03233	4.4
151.04111	3.9
152.07149	3.3
161.04503	17.1
165.05473	3.1
177.05585	5.4
179.05609	85.1
180.05894	3.8
195.06635	4.9
196.07335	4.8
221.06648	54.5
239.02196	3.7
239.05580	7.5
239.07704	42.9
239.09964	6.2
240.06175	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	239.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
70.91828	1.2
70.92157	1.8
72.99306	2.1
76.71092	0.8
87.00878	8.9
91.01938	0.8
91.05512	1.8
93.03472	1.9
99.59705	1.0
106.04234	4.9
107.05032	27.6
108.02158	3.2
108.05329	1.2
117.03490	1.2
121.02971	5.2
122.92126	1.1
133.06599	15.1
134.03719	1.4
135.04556	5.8
149.06084	42.7
150.06358	1.6
163.04047	1.6
177.05573	50.1
178.05878	2.7
179.03496	79.3
180.03856	4.4
195.06635	6.5
221.04514	3.8
239.05602	100.0
240.05957	4.9
247.23079	0.8
256.91119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0562
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
53.13443	0.7
59.01373	2.3
70.73760	1.7
70.74097	1.0
71.82561	1.0
72.99298	2.1
87.00876	8.1
91.01887	1.3
91.05536	0.9
93.03457	1.9
97.71024	0.8
106.04254	6.7
107.05035	27.9
108.02139	2.1
121.02968	6.2
133.02917	0.8
133.06593	14.5
135.04521	2.6
140.92207	0.9
146.04881	0.7
149.06082	43.6
150.06419	1.5
151.03963	1.5
163.03938	1.3
177.05577	40.8
178.05905	2.1
178.48755	0.7
179.03497	77.8
180.03912	2.8
193.04990	1.6
195.06606	7.1
221.04558	3.4
239.05611	100.0
240.05974	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	237.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	18.9
59.01092	0.8
59.01379	9.8
61.98836	1.1
69.03461	0.7
71.01383	2.1
71.61313	0.8
75.00875	1.4
75.65794	0.5
83.05021	2.8
85.02954	1.3
85.06604	0.8
93.03435	0.7
96.96001	4.7
97.06598	1.3
100.75811	0.6
101.02448	1.1
109.06602	1.7
139.11317	7.1
149.09724	0.9
161.02458	1.4
167.10756	2.8
172.26422	0.7
177.12901	0.8
179.10774	5.8
180.37450	0.7
182.84142	0.7
193.16042	4.3
195.13962	4.5
219.13913	1.0
237.00432	0.8
237.11630	3.6
237.14957	100.0
238.15335	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	239.0561
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
56.46550	1.0
57.03434	1.1
59.01377	12.4
71.01376	2.8
73.02921	1.1
85.02946	5.8
87.00874	12.4
88.04032	1.0
89.02441	2.1
93.02809	0.9
93.03465	2.5
95.01369	1.3
106.04258	7.7
107.05036	32.5
108.02171	3.8
110.02600	1.0
121.02959	5.7
131.03448	2.0
131.05005	1.3
133.06586	13.1
135.04504	4.9
138.03116	1.0
149.06082	44.4
151.04053	1.5
161.04556	1.3
177.04031	2.5
177.05571	48.4
178.05829	3.4
179.03496	80.0
179.05537	6.5
180.03879	3.7
195.06628	7.1
195.64771	1.1
221.04536	5.5
221.06654	7.9
229.19139	1.2
239.05602	100.0
239.07654	6.6
240.05838	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	237.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	17.2
59.01377	5.0
59.84458	0.3
60.64121	0.3
61.98824	1.0
63.41440	0.3
69.27805	3.4
71.01375	0.5
75.00866	0.6
78.08058	0.4
83.01387	0.3
83.05022	3.8
85.02948	0.3
85.06605	0.7
95.04945	0.3
96.95988	0.5
97.06583	0.5
99.08146	0.6
109.06607	1.5
112.77763	0.3
121.02922	0.4
123.08115	0.6
125.02509	0.3
135.11816	0.5
141.09277	0.5
149.09720	0.9
153.09163	0.4
161.02397	0.5
165.12868	0.4
167.10782	3.0
177.12840	1.1
179.10793	3.8
193.01534	0.5
193.15938	2.8
195.13898	4.6
196.14331	0.4
219.13925	1.2
237.14955	100.0
238.15323	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	237.1495
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
56.86258	0.5
57.03451	19.0
58.03759	0.5
58.89626	0.4
59.01387	6.3
59.97507	0.5
61.98828	0.9
69.03457	0.6
70.81221	1.3
71.01402	1.0
73.02934	0.5
83.05024	3.0
83.92934	0.5
85.02960	0.7
89.28301	0.5
96.96028	0.6
109.06609	1.0
111.50976	0.5
113.50218	0.5
135.11810	0.7
156.49829	0.5
167.10793	3.0
177.12910	1.2
179.10730	3.8
193.15965	3.3
195.13898	4.0
219.10321	0.5
219.13921	0.6
237.11125	3.0
237.14955	100.0
238.15291	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	237.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23431	1.5
56.26515	1.1
59.01377	57.2
67.67947	1.3
69.03455	24.9
71.11100	3.3
84.09076	1.5
85.02925	1.8
93.07105	1.7
95.04985	1.6
96.95982	2.1
97.06590	56.3
105.49996	1.4
108.06616	1.4
121.10249	8.2
123.08164	61.5
124.08503	3.1
139.07654	8.7
147.11768	11.9
167.07118	8.6
175.14954	9.8
179.07300	1.6
179.10782	4.8
193.15901	3.0
219.13947	10.5
237.11322	2.8
237.14946	100.0
238.15254	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	237.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23228	0.3
52.87080	0.3
53.41552	0.4
55.55550	0.3
63.97455	0.3
65.00357	1.2
67.32919	0.4
69.31518	3.4
72.24333	0.3
81.84408	0.4
91.01921	0.4
91.20256	0.3
93.03472	0.5
96.85631	0.4
107.05064	0.6
119.01410	2.8
121.02979	0.6
123.04497	0.3
136.01700	0.6
147.00887	12.7
148.01656	0.4
149.02412	0.8
151.04037	2.5
153.05508	0.4
164.01157	1.4
175.00447	0.8
175.04022	3.2
177.01979	0.3
179.03506	38.2
180.03838	1.4
193.04994	0.4
198.08904	0.3
198.96526	0.4
207.02989	100.0
208.03331	4.1
219.05092	1.2
221.04654	1.6
222.05334	80.9
223.05690	4.9
237.03922	1.2
237.07678	34.5
238.07990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0616
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03447	2.6
59.01378	3.2
70.88489	0.7
70.88831	0.7
71.01365	2.3
72.99316	0.6
74.02477	1.6
75.00879	6.3
78.95911	1.6
85.02958	2.3
87.00877	100.0
88.01227	1.7
89.02469	0.9
99.00912	0.5
101.02430	0.9
115.00378	0.9
116.00674	0.5
116.03572	1.0
117.01982	0.4
117.03909	1.2
120.01202	0.3
129.01945	16.8
136.94005	0.5
138.93761	0.8
140.03532	0.4
154.90602	1.5
177.01106	0.4
178.94940	0.4
192.06245	0.3
199.57596	0.4
218.86893	0.5
237.06171	7.6
237.08466	0.5
238.06473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0767
Annotation	4-Epiradicinol
Peak:m/z	Relative Intensity
57.31379	0.3
58.36242	0.3
62.22781	0.2
63.51210	0.2
65.00314	1.5
66.90161	0.3
69.27399	3.1
69.27807	0.4
75.72918	0.3
91.01921	0.6
93.03491	0.3
109.02996	0.4
114.82542	0.3
119.01396	2.5
121.02977	0.9
123.04533	0.4
126.74063	0.3
133.02934	0.4
135.04538	0.6
136.01701	0.7
147.00891	12.2
148.01532	0.3
148.68896	0.3
149.02429	1.2
151.03995	2.6
161.02406	0.6
163.04041	0.5
164.01135	1.5
165.01875	0.3
175.00377	0.8
175.03978	1.7
179.03505	37.7
180.03844	1.8
193.05046	0.7
205.66023	0.3
207.02994	100.0
208.03339	4.4
221.04553	1.5
222.05339	81.8
223.05685	3.9
230.91800	0.3
237.07672	35.5
238.08020	1.9
249.43134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80107	0.3
54.75428	0.3
59.01406	0.4
60.09627	0.3
83.34595	0.3
96.36684	0.3
104.64788	0.3
134.03743	0.3
135.04556	0.5
136.05284	0.6
137.56506	0.3
148.05318	10.6
148.82417	0.3
149.06076	0.3
149.09799	1.5
162.06914	0.5
176.08435	0.7
177.09222	43.9
178.09570	1.7
190.10037	2.1
191.10750	1.1
192.11577	32.9
193.11992	1.9
201.09233	1.0
203.07127	1.1
217.08716	3.0
218.09497	8.8
219.09897	0.4
236.10553	100.0
237.10934	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	237.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45031	0.5
53.59783	0.5
59.01377	0.7
66.54469	0.5
66.74734	0.5
71.00986	1.2
71.01380	20.0
71.17268	0.7
71.17610	1.0
87.00844	1.1
89.97019	0.5
93.03468	0.7
115.00377	9.0
121.02956	100.0
122.03309	3.5
133.02861	0.5
135.04539	1.3
149.00839	0.5
161.02481	1.1
161.03726	0.6
175.04070	0.6
179.03474	1.0
209.56320	0.5
236.08485	0.5
237.09357	5.1
237.11357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64305	0.6
55.01876	1.7
57.03468	0.8
58.02964	0.9
59.01376	6.0
61.98838	33.8
70.02985	3.9
70.11282	0.5
71.01387	20.3
71.59757	1.1
72.01687	0.6
72.04545	3.6
72.99309	1.4
73.02950	0.8
74.02476	100.0
74.99138	0.9
75.00866	5.5
75.02796	0.8
84.04556	1.5
85.02962	1.9
86.02477	1.0
87.00880	30.3
88.04047	20.8
89.02456	2.0
90.98580	1.3
96.04552	0.6
98.02477	6.9
98.06107	1.4
99.00889	2.1
100.04077	0.7
101.02463	2.0
104.03533	1.7
105.00156	5.2
105.03799	1.4
106.08474	0.6
108.04580	2.1
112.04089	0.8
113.02444	0.8
115.00378	26.6
116.03543	68.3
117.03862	1.4
120.01252	8.1
126.05667	3.8
129.01950	10.8
135.04538	1.7
140.03548	6.1
142.99883	2.8
146.04599	35.8
147.03004	5.7
147.43581	0.8
148.99133	4.4
149.02681	2.4
149.06009	0.8
161.02396	0.9
164.05666	1.2
164.07024	0.6
173.00848	0.7
174.02269	1.2
179.03514	1.7
192.06784	1.5
205.03555	1.4
218.01300	1.7
218.06726	0.6
236.02364	2.4
236.05850	1.1
236.07779	17.5
237.04150	1.0
237.06151	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	236.0775
Annotation	N-glycoloyl-D-glucosamine
Peak:m/z	Relative Intensity
55.01877	2.7
59.01378	5.7
61.98817	2.7
62.15756	0.6
63.96239	1.1
64.91100	0.6
70.02991	1.4
71.01384	13.1
71.60175	1.1
72.04549	1.6
72.95756	0.7
72.99311	2.1
74.02475	100.0
74.99090	1.9
75.00873	3.9
75.02847	1.1
80.96516	1.1
84.04530	0.7
85.02948	2.4
86.02499	0.9
87.00883	10.9
88.04044	30.3
89.02464	1.6
90.98598	1.0
94.32051	0.7
98.02486	3.3
98.06130	1.2
99.00885	1.3
99.04500	0.9
101.02428	1.0
104.03535	1.1
105.00100	0.6
105.03799	1.0
106.66639	0.6
108.04544	1.5
115.00376	2.0
116.03539	32.6
120.01225	1.3
120.99654	2.1
125.02447	1.6
126.05616	0.9
126.13941	0.7
129.01936	9.9
140.03537	2.4
146.04599	46.5
147.02980	7.8
147.04825	1.3
149.02782	2.1
164.05618	2.6
164.07040	0.9
174.32211	0.6
192.06731	1.7
203.28345	0.6
224.25539	0.7
236.05867	0.8
236.07785	12.5
237.06131	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1704
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
54.84299	0.4
59.01381	9.2
61.98825	1.5
66.97330	0.4
71.62051	0.5
76.36364	0.4
77.19041	0.3
80.47250	0.5
83.05026	0.6
85.02982	0.7
94.02982	0.8
101.02400	0.4
109.02960	0.4
134.89507	0.5
135.69687	0.4
148.05360	0.5
162.89435	0.5
163.00383	0.5
163.14877	0.6
191.07088	0.5
191.18044	1.8
199.85066	0.5
217.06224	0.5
217.15979	1.6
233.15508	1.5
235.17035	100.0
236.10550	1.4
236.17392	6.6
250.00464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1703
Annotation	Bicyclohumulenedione
Peak:m/z	Relative Intensity
55.03373	0.2
59.01384	7.0
61.98833	1.1
63.07898	0.2
68.73490	0.2
69.95235	0.9
71.01388	0.6
79.95738	0.6
83.05021	0.8
85.02937	0.3
94.02953	0.5
97.06620	0.4
113.09650	0.2
119.05003	0.3
151.07675	0.3
162.89384	0.4
163.00287	0.3
163.14890	0.4
177.09221	0.4
189.16531	0.2
191.07051	0.3
191.18063	2.1
192.11461	0.2
217.15985	1.5
227.95905	0.2
233.15472	1.2
235.17030	100.0
236.10570	0.5
236.17378	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	235.0727
Annotation	N,N-Dihydroxy-L-tryptophan
Peak:m/z	Relative Intensity
57.03460	1.1
59.01393	7.5
61.98832	3.4
69.73962	6.0
71.01388	3.8
71.44292	1.2
71.44749	1.2
72.00914	9.8
74.02476	1.7
80.96539	1.8
85.02966	1.4
86.02486	14.1
88.03999	1.2
92.05068	51.6
94.03032	1.3
96.96049	1.3
98.02491	3.3
98.19958	2.4
104.03548	6.3
105.03882	2.4
107.82304	1.2
108.04576	10.1
109.02976	1.3
111.00916	1.5
116.05084	2.9
118.03062	1.8
118.06647	5.7
120.04558	18.7
120.99626	1.2
123.13546	1.1
127.58675	1.0
128.05043	8.6
130.06613	4.7
131.03781	37.4
134.03734	1.4
134.06133	17.2
135.04530	2.4
144.04561	46.7
145.04987	2.4
145.07660	1.4
146.02492	13.6
146.06119	28.5
147.03262	2.0
147.04419	1.3
147.06483	1.4
148.04054	100.0
149.04381	4.3
149.06313	3.2
155.06119	6.5
157.05342	3.9
160.04073	3.8
163.04048	1.9
163.08829	2.4
164.01994	1.2
164.04855	1.2
171.05711	5.7
172.04099	3.8
173.05995	1.3
173.07217	33.9
174.05626	3.6
174.07529	1.2
175.03952	1.5
190.02731	1.0
190.03310	1.6
190.05078	17.4
191.08365	1.8
217.06255	6.5
227.17984	1.3
235.07292	99.9
235.10027	6.7
236.07605	4.2
238.80782	1.2
252.51213	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74609	0.2
55.84570	0.2
57.86713	0.2
59.01382	3.2
59.96722	0.4
60.97511	0.7
69.96935	0.6
69.97362	0.7
74.99069	7.2
75.96246	0.3
82.57079	0.3
91.02186	1.5
93.00134	2.7
118.96291	1.2
134.33640	0.3
134.99403	6.9
136.97340	2.7
141.07449	0.5
143.05325	0.5
149.00958	73.9
150.00916	3.5
150.98853	0.8
152.96828	0.4
153.83528	0.2
159.08481	1.7
161.06389	4.2
162.73540	0.3
173.04448	0.3
201.04115	0.4
215.05721	1.6
217.07205	98.4
218.07341	7.9
233.10338	100.0
233.15302	9.5
234.10484	7.2
234.15842	0.5
235.08430	0.3
244.37819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0983
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
58.03008	0.8
59.01369	2.4
60.26281	0.4
62.54368	0.4
71.01373	0.7
71.05025	13.9
71.17776	0.6
72.00912	3.3
72.99321	1.1
73.02962	0.7
82.65210	0.4
85.02940	0.5
85.06568	0.5
86.02477	7.5
87.00870	3.1
92.05067	3.9
98.06110	0.6
99.04523	3.6
100.94218	0.5
101.04314	0.7
104.03542	100.0
105.03867	1.4
108.04520	0.5
108.94730	0.4
116.07157	1.4
118.45527	0.5
120.04528	1.3
120.99674	0.8
129.03799	0.7
129.05540	0.7
131.03801	2.3
132.03036	2.9
134.04758	0.5
134.06120	1.1
144.04578	3.4
146.02495	1.3
146.06161	2.9
146.08241	11.4
147.04828	0.9
147.06622	0.7
148.04065	6.4
158.08220	1.2
173.07224	2.5
185.25888	0.5
188.09270	6.8
190.05118	1.0
217.06181	0.6
233.97409	0.7
234.09824	88.7
234.15793	6.7
235.02419	0.8
235.07210	6.8
235.10146	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	231.1602
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
50.41575	0.2
50.61291	0.2
57.03447	1.2
71.38973	0.5
75.68179	0.2
87.04516	0.5
87.18113	0.2
97.06616	0.3
125.09763	0.3
127.11301	2.6
133.02922	0.5
134.03743	7.8
135.04430	0.3
136.66205	0.2
142.56062	0.2
143.10779	0.3
155.14435	0.7
159.04593	0.4
167.14452	0.4
171.10269	4.5
179.00681	0.2
179.41373	0.2
183.13911	0.3
185.15527	0.4
187.04045	0.3
187.07700	0.5
195.13914	0.8
202.06389	0.4
203.10764	0.4
210.41823	0.3
213.09242	0.6
213.14972	4.4
229.14444	3.3
231.03094	1.3
231.15996	100.0
232.16350	5.4
232.18663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.5
66.80685	0.9
70.02979	55.3
70.59380	2.5
87.25370	0.7
91.05533	6.0
96.99307	8.1
107.57591	0.8
114.01968	100.0
115.02316	1.7
117.03470	30.2
118.03803	1.4
118.06606	1.3
134.03755	1.4
134.06117	16.2
135.04108	2.5
144.08179	1.9
146.06126	5.0
153.59990	0.8
160.07704	3.4
188.07123	7.0
214.09546	1.7
232.06253	2.0
232.10521	1.6
233.15468	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03454	0.5
86.20441	0.3
99.92560	0.5
103.82900	0.3
108.82768	0.3
118.97972	0.3
129.05612	0.3
139.11249	0.6
165.12825	0.9
167.14415	34.7
167.58327	0.3
168.14735	1.9
185.15504	0.7
211.13390	41.2
212.13736	2.3
229.14432	100.0
230.14764	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.86837	0.3
54.91368	0.3
57.03456	1.7
69.51872	3.0
71.05014	0.6
72.23754	0.4
83.05027	0.4
84.02221	0.3
85.02953	1.0
95.63161	0.3
97.06654	0.4
125.09741	2.9
127.11294	4.7
155.14433	2.1
165.12738	0.9
167.14429	1.8
171.10277	4.9
183.13904	1.4
185.11833	1.5
185.15439	0.4
201.14877	0.5
209.11806	3.3
211.13422	11.9
212.13831	0.6
229.14438	100.0
230.14769	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	228.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00876	0.4
53.41951	0.5
59.01376	1.8
70.02973	1.0
71.01383	7.7
72.99311	0.6
88.04044	100.0
89.04372	1.6
94.01450	0.4
96.99313	2.1
98.19799	0.8
112.07696	2.3
113.06085	8.9
114.01969	8.3
115.00375	15.0
119.05027	1.0
122.15811	0.5
130.08708	1.0
132.03029	63.0
133.03320	1.1
135.04520	0.6
138.09244	0.5
143.11885	0.8
163.03983	0.8
166.08755	0.7
179.03435	0.5
182.61182	0.5
184.09732	2.7
210.07689	0.7
216.84512	0.5
228.08759	19.8
228.20418	1.1
229.08897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0515
Annotation	4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Peak:m/z	Relative Intensity
57.03442	0.8
59.01384	1.7
69.03436	0.8
70.02982	0.9
70.25862	2.2
71.01395	1.5
71.02531	0.9
72.99316	1.1
77.75362	0.7
80.05054	2.8
81.03487	1.0
82.02995	1.6
85.02959	0.9
92.05064	6.3
94.06630	15.8
95.05019	0.9
96.00892	0.8
96.04547	1.1
97.02969	1.0
98.02483	1.9
98.06155	0.9
98.20480	1.1
99.00896	0.8
99.92590	1.7
107.03760	4.3
108.04572	3.5
110.02446	0.9
110.06110	1.2
112.04028	1.4
112.07671	0.9
113.03664	1.0
114.05604	1.0
120.04573	3.5
122.06127	100.0
123.04527	1.3
123.06480	2.6
123.08116	1.0
123.31963	0.8
124.01691	0.9
124.04045	2.4
138.05637	4.6
139.03923	0.9
140.07187	4.3
150.05562	0.9
166.05101	61.0
167.05450	2.6
168.03015	1.6
168.06628	1.2
184.04552	1.3
184.06161	10.4
184.09747	0.8
184.14160	1.0
210.04099	3.3
210.07625	1.3
210.67487	0.7
211.02475	1.5
228.05156	25.9
228.08810	3.4
228.20586	1.9
229.07120	2.3
229.10651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
56.64731	0.3
64.41973	0.3
67.52297	0.4
69.91458	1.7
71.05008	0.8
80.02686	2.1
81.03484	1.7
83.01411	0.5
83.05028	7.3
84.02161	4.7
86.28864	0.4
95.05035	0.9
97.06553	0.4
97.17197	0.4
125.09705	0.4
135.08139	1.0
149.25381	0.4
163.11279	5.7
164.11565	0.4
165.12842	4.3
181.12338	1.4
183.13918	0.7
191.10796	1.7
199.13364	0.8
209.11824	100.0
210.12164	4.7
217.76483	0.4
227.12869	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	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96665	0.4
53.51387	0.4
57.03450	0.6
59.01373	0.6
71.05025	0.3
71.61823	0.4
71.62188	0.6
80.58341	0.3
83.05020	0.8
98.09023	0.3
111.08146	1.3
120.02258	0.3
121.02940	0.5
129.83272	0.3
137.02393	0.5
139.11269	0.5
163.11244	0.4
165.12836	20.4
166.13168	1.2
166.14803	0.3
169.12347	1.3
172.04214	0.3
181.12314	0.4
183.13890	100.0
184.14238	5.3
191.10849	0.5
199.13391	4.3
209.11812	8.2
210.12299	0.3
227.12881	25.1
227.20139	3.3
228.13188	1.3
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	Ieodomycin C
Peak:m/z	Relative Intensity
57.03449	1.7
59.01348	1.4
61.61181	0.6
68.56910	0.7
70.81490	0.6
71.21945	1.7
83.05033	2.2
84.03133	0.6
97.06577	2.4
106.68410	0.5
111.08149	4.9
136.22475	0.7
141.52229	0.6
159.29454	0.6
163.11267	2.1
165.12839	30.9
166.13139	1.7
183.13899	44.1
184.14253	2.1
191.10732	0.8
199.13387	3.6
209.11829	29.4
210.12199	1.6
227.12881	100.0
227.20178	2.2
228.13234	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	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
69.69073	0.8
69.69482	0.7
81.53057	0.2
86.81773	0.2
89.23765	0.2
90.28997	0.2
98.19901	0.3
111.08173	0.6
149.13284	0.3
165.12846	21.4
166.13126	0.7
183.13896	100.0
184.14235	5.0
209.11826	1.4
227.12881	18.7
228.13179	0.8
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	Traumatic acid
Peak:m/z	Relative Intensity
57.03442	0.9
58.00597	6.3
59.01373	0.6
62.01476	0.3
65.00339	0.4
66.24728	0.4
69.03437	0.8
69.28294	3.8
71.01377	0.6
73.02938	1.2
83.05037	1.1
84.02161	1.7
90.00679	0.4
97.06547	0.5
111.00858	0.5
111.08157	0.8
137.09686	0.5
151.11278	0.8
153.09221	0.8
153.12825	1.7
155.14386	1.9
163.11287	1.9
165.11549	0.7
165.12845	9.4
166.13156	0.4
166.21306	0.4
169.12370	2.1
171.13927	2.9
181.12372	3.7
183.13902	28.6
184.14204	1.3
191.10776	1.5
197.11871	0.5
199.13396	59.3
200.13716	3.0
209.09837	0.8
209.11829	15.7
210.12177	1.0
227.12894	100.0
227.20131	3.9
228.13240	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	227.0925
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
51.79508	0.5
55.95277	0.5
57.03443	2.5
58.72949	0.5
59.01374	1.2
61.44315	0.6
67.07120	0.6
69.54459	4.4
71.01376	2.2
71.22887	0.6
72.99306	100.0
75.00875	2.8
79.20853	0.5
79.95741	0.7
83.05017	1.6
88.04037	31.9
91.71913	0.6
96.99294	1.4
97.06608	0.9
98.20715	0.8
107.05018	2.0
112.07656	0.8
113.06075	3.7
114.01957	2.6
115.00379	5.1
116.46953	0.6
119.04960	0.7
122.03759	0.7
125.06096	1.2
126.07553	0.6
129.01939	0.9
132.03017	20.7
137.02470	0.7
138.06857	2.1
139.07646	3.0
149.60583	0.8
151.07651	3.2
152.08406	3.0
153.09172	1.3
165.09163	5.7
183.10138	1.0
183.13817	0.8
184.09737	1.4
193.14211	0.6
209.08186	2.1
209.11816	3.7
227.09230	59.7
227.20111	3.9
228.08717	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76124	0.4
57.03455	0.5
59.01380	6.5
69.03487	0.7
71.05640	0.4
81.03469	2.3
83.01393	0.5
83.05065	1.9
84.02214	1.4
93.03510	1.6
95.05052	0.9
97.02953	11.5
97.03538	0.7
97.06601	0.6
99.00933	1.0
107.05063	0.5
108.87966	0.5
109.02945	0.6
109.06593	18.7
110.03741	3.5
110.06995	0.7
111.04559	0.7
121.06627	1.8
123.04572	0.9
125.09782	1.3
126.90469	0.4
135.08156	2.7
136.05316	2.2
137.02478	0.9
137.09770	0.4
142.02736	5.8
145.10316	0.6
148.49924	0.5
161.09749	1.9
163.11285	15.8
164.11667	1.1
179.10794	1.6
181.12335	16.0
182.12737	0.8
189.09239	1.2
195.02933	0.6
197.11832	2.0
207.10258	73.0
208.10573	4.1
225.00394	0.8
225.11310	100.0
226.08690	0.8
226.11665	5.3
229.17447	0.4
234.57494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01383	3.9
67.01890	0.9
69.03444	1.0
69.39439	4.1
71.01379	2.0
71.05023	0.6
73.02940	1.5
80.02691	1.1
81.03452	1.2
83.05040	2.3
85.02956	0.7
93.03452	1.7
95.01384	2.1
95.05035	8.0
97.02963	3.6
97.06567	1.0
98.19925	1.2
99.04495	2.5
106.04238	1.7
107.05004	0.9
108.02154	0.5
109.02954	1.6
109.06593	8.6
110.03727	6.1
111.04574	2.3
111.08121	0.6
114.10925	0.5
119.08681	0.7
121.02922	0.6
121.06595	0.9
123.08170	0.6
125.06083	0.9
125.09724	1.1
135.08176	1.5
137.02501	0.7
137.09705	0.8
145.10294	1.2
151.07713	0.7
151.11293	1.3
153.12820	1.7
161.09657	2.4
163.07643	0.9
163.11292	18.3
164.11688	0.7
165.01991	0.7
169.12344	1.8
179.10756	3.0
180.04274	0.7
181.12369	4.5
184.28049	0.5
188.46223	0.5
189.09224	6.9
190.92180	0.5
192.07930	0.7
195.06656	0.6
197.11798	2.9
198.12306	0.5
207.10263	34.4
208.10587	2.1
210.05273	0.5
225.00354	0.9
225.11320	100.0
226.11670	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.7
65.78920	0.4
69.03495	0.5
69.47458	3.5
71.01386	0.4
73.88446	0.5
77.45729	0.4
80.30467	0.4
81.03481	0.7
83.05051	1.0
97.02950	9.7
99.00883	4.3
109.06602	4.0
110.03733	4.9
111.04532	0.5
121.06592	0.7
125.09727	0.8
126.14320	0.5
135.08180	1.6
136.05304	2.5
142.02730	4.4
153.12868	0.9
161.09703	1.5
163.11285	11.4
164.11652	0.6
171.35023	0.4
179.10818	0.8
181.12343	32.1
182.12660	1.3
197.11870	1.5
207.10260	72.4
208.10587	3.5
225.11311	100.0
226.11671	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	225.1132
Annotation	Chloriolide
Peak:m/z	Relative Intensity
57.03448	0.7
59.01387	7.2
61.98824	5.7
65.00322	2.4
69.39238	4.1
71.05058	0.6
73.02956	1.5
79.48190	0.6
81.03457	2.0
83.05033	1.8
85.02927	0.6
87.66235	0.5
93.03461	6.3
95.05027	1.0
97.02949	10.6
98.20670	1.3
109.06592	16.3
110.03741	4.1
110.06900	0.7
111.04541	1.0
121.06593	1.3
123.04539	1.1
126.90528	1.7
127.80331	0.6
135.08133	2.0
136.05296	1.9
136.98843	1.3
137.02414	2.8
142.02713	6.7
157.65039	0.6
161.09671	1.2
163.11281	15.2
178.83424	1.1
179.10732	1.5
181.12338	14.9
182.12619	0.6
189.09204	1.0
206.99286	0.7
207.10260	66.3
208.10664	4.1
224.90569	1.6
225.00511	3.6
225.11314	100.0
225.92691	2.5
226.11742	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	225.1131
Annotation	Chloriolide
Peak:m/z	Relative Intensity
54.47853	0.5
59.01381	5.5
61.98833	5.4
65.00298	0.8
73.02946	1.1
81.03438	2.3
83.05016	2.1
84.02184	0.8
85.02956	0.8
93.03469	3.6
95.05054	0.6
97.02943	9.7
99.00868	1.2
109.06583	16.7
110.03716	4.4
111.04493	0.7
111.53340	0.6
121.06632	1.2
123.04523	0.9
125.09729	0.9
126.90482	1.3
135.08159	2.6
136.05305	2.0
136.98741	1.0
137.02451	1.0
139.10793	0.7
142.02742	5.5
161.09718	1.5
163.10002	1.2
163.11275	15.2
178.83418	1.5
181.12338	13.9
182.12704	0.9
189.09085	1.3
197.11777	0.7
207.10249	77.5
208.10596	3.8
210.69148	0.6
224.90550	1.2
225.00499	1.3
225.11305	100.0
225.14943	3.4
225.92659	1.9
226.11652	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1338
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
53.63847	0.3
57.03434	1.4
59.01379	6.5
61.98834	0.9
67.48771	0.4
69.03098	0.7
69.03454	9.0
69.77125	2.1
71.01399	0.6
71.05019	2.7
81.03438	0.4
83.05029	1.8
85.06590	1.9
93.03451	0.7
95.05029	1.1
97.06559	0.9
99.43831	0.4
107.01344	0.5
107.08641	0.4
108.05824	0.6
109.06567	1.8
111.08150	0.7
121.06616	0.5
121.10247	0.4
123.00864	0.5
125.09703	1.4
135.11813	0.6
141.09177	1.1
149.09706	2.2
153.09241	0.7
161.13367	1.7
167.10767	11.3
168.11142	0.7
176.83696	0.7
177.12869	2.5
179.10822	4.4
179.14409	11.3
180.14799	0.4
187.11223	1.0
193.01375	0.7
195.13895	32.6
196.14247	1.4
205.12323	22.7
206.12648	1.7
208.03795	0.5
211.13419	0.4
223.02788	1.5
223.13380	100.0
224.13731	6.4
233.14018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	Sinapate
Peak:m/z	Relative Intensity
57.03442	0.6
59.01374	0.7
65.00327	1.2
67.01906	1.1
68.99850	0.4
69.90559	2.0
75.89998	0.4
78.16293	0.4
79.01894	0.5
81.03511	0.5
83.93883	0.4
91.01908	0.5
93.03457	16.0
94.03809	0.7
96.95963	0.7
98.19950	0.5
107.01415	0.7
109.02954	1.9
110.99090	0.4
115.18960	0.4
117.03459	0.5
119.01456	0.5
121.02952	30.6
122.03288	1.3
123.04462	0.6
134.03748	1.1
135.04524	11.5
135.08127	0.8
136.01660	1.0
137.02443	2.6
147.04468	0.9
148.01616	0.8
149.02438	71.1
150.02759	2.6
151.03955	1.8
152.01146	20.9
153.01593	0.4
163.04005	18.0
164.04788	42.1
165.01932	14.0
165.05051	1.0
166.02269	0.7
167.03471	3.1
169.05067	8.0
170.05251	0.5
179.01886	0.4
179.03513	1.0
179.07124	14.6
179.98895	0.6
180.00560	0.5
180.04280	1.2
180.07428	0.4
187.11223	0.4
193.01407	75.7
194.01750	2.7
205.12332	0.6
207.03008	0.9
207.98441	4.4
208.03757	100.0
209.04117	4.0
223.06096	54.2
224.06398	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	223.1339
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
57.03441	1.5
59.01377	5.9
69.03461	8.1
69.90383	1.9
71.01374	0.8
71.05010	1.9
79.42458	0.5
81.03453	0.7
83.05020	1.0
85.06575	1.3
86.24645	0.4
93.03432	0.6
95.05026	1.1
97.06609	0.8
107.08645	0.4
108.05808	0.5
109.06590	1.6
111.02501	0.5
111.08136	0.6
117.87667	0.4
123.08134	0.5
125.09753	0.8
135.11789	0.7
141.09222	0.8
149.09721	1.6
153.09195	0.5
161.13329	1.7
167.10780	9.9
177.12849	1.6
179.10800	4.2
179.14409	10.6
187.11368	0.5
195.13899	28.7
196.14226	1.7
205.12323	24.2
206.12695	1.1
223.13382	100.0
224.13741	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	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.6
57.03440	7.6
59.01374	8.7
69.03453	2.3
70.48517	4.4
71.01386	15.6
72.99307	46.6
73.02954	4.0
75.00866	12.8
78.95911	5.0
80.96507	6.1
81.03460	20.0
83.01390	4.3
84.02161	18.1
85.02440	3.1
85.02949	48.0
86.03223	1.9
87.00877	21.7
89.02446	6.2
92.95995	13.8
97.02957	2.5
99.00882	30.2
99.04524	13.1
101.02440	4.4
102.98058	1.7
103.00359	2.7
103.04034	2.3
105.01933	12.6
111.00900	10.9
113.02457	8.3
115.00359	4.3
117.01964	7.1
118.97578	2.8
120.95480	1.8
125.02452	62.8
129.01944	74.5
130.02277	2.7
132.95483	18.5
133.01390	3.6
136.00722	3.7
143.03471	9.6
144.95490	38.0
145.95552	1.8
146.97046	1.6
147.02997	34.8
160.95006	1.6
161.04547	11.3
165.04031	43.0
169.01382	3.0
172.42606	1.5
174.96527	22.2
190.02658	1.5
204.97574	12.2
205.03519	48.4
222.98605	13.7
223.04579	100.0
224.02335	5.7
224.04817	3.3
228.13684	1.7
238.47455	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	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
57.03429	11.5
58.00584	3.9
59.01390	17.6
71.01375	30.9
71.59991	3.2
72.99306	49.6
73.01159	5.7
73.02936	11.6
74.99081	2.6
75.00860	15.2
80.96497	6.5
81.03455	17.7
83.01360	8.0
84.02169	29.5
85.02955	65.7
87.00851	11.0
89.02434	2.5
90.98557	3.7
91.02241	19.8
93.03381	4.2
97.02923	3.0
99.00895	19.9
99.04520	19.9
101.02419	5.6
109.02927	2.9
111.00870	21.8
112.98806	22.7
113.02414	5.1
115.00340	9.1
117.01958	4.6
117.03779	3.5
119.04972	9.2
120.99645	5.1
121.02945	9.4
125.01617	4.3
125.02447	55.1
129.01085	4.1
129.01944	62.7
133.01440	5.3
135.01222	14.4
135.04668	9.4
137.03505	4.9
143.03450	9.9
147.03000	33.2
147.04193	4.0
149.02434	20.3
152.01047	3.2
154.31560	2.8
161.04512	23.2
161.05890	4.9
163.03975	7.2
164.04759	12.7
165.01846	3.9
165.03984	3.2
166.24512	2.8
169.01401	3.1
172.58800	2.6
179.07195	6.3
182.14980	2.7
193.01328	11.5
205.03529	55.8
208.03795	19.4
223.02783	7.0
223.04515	100.0
223.06142	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	222.0771
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
57.03456	1.3
58.00586	3.4
59.01395	6.8
60.01705	1.7
61.98821	1.4
70.97883	1.3
71.01369	4.1
71.60497	1.2
72.00910	2.8
72.99294	3.6
73.01154	2.7
73.02950	8.0
74.02475	100.0
75.02813	1.6
80.96520	4.0
85.02940	2.9
86.02479	28.8
91.05526	1.5
93.03467	1.4
96.96010	2.4
98.02489	1.1
101.02449	1.5
102.02791	1.4
107.05027	2.1
108.04543	2.3
109.02960	1.5
111.00894	1.4
117.03783	3.1
119.05029	11.2
120.15462	1.0
121.02964	3.0
122.06113	1.2
123.04464	1.2
124.03926	1.1
129.01971	2.0
132.08192	11.4
134.03696	1.6
135.04716	7.5
139.65080	1.1
146.06133	2.8
147.04521	62.0
148.04922	1.9
149.02426	4.3
149.06079	8.3
150.05463	1.7
150.06503	1.9
158.06081	1.6
160.07661	2.8
161.04617	1.5
161.06075	5.2
162.05635	1.6
163.03963	1.9
164.04774	2.2
164.07155	10.4
174.05621	1.1
176.07164	4.8
177.05484	1.4
178.06059	2.5
178.08722	27.8
179.07118	1.8
180.06660	3.1
193.01411	4.7
196.06059	2.0
204.06581	3.5
208.03868	5.7
222.07701	85.5
222.13371	2.4
223.02768	5.9
223.06161	7.9
223.08128	2.5
223.13419	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	221.1547
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
59.01387	0.7
64.55965	0.2
98.19801	0.3
115.41872	0.2
127.07658	0.9
133.14275	0.2
136.45485	0.1
148.05328	0.4
149.05989	0.3
151.07713	0.3
158.39009	0.1
164.08434	1.9
165.09151	0.2
205.12326	1.8
206.12726	1.1
207.13872	1.6
220.14699	3.8
221.15469	100.0
222.15820	6.0
230.33783	0.3
235.13412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89009	0.3
59.01374	1.3
68.37959	0.3
70.73969	0.9
71.01396	0.5
80.38330	0.3
87.00877	0.3
87.02733	2.8
89.01340	0.3
118.06613	0.3
119.05037	0.6
124.75900	0.3
131.05383	1.8
133.06935	100.0
134.07275	2.5
135.04576	0.4
149.06084	1.2
161.02426	0.3
162.05615	1.8
177.05598	2.2
199.29242	0.3
220.06110	0.9
220.10103	4.2
220.17889	2.1
221.04639	0.5
221.06596	0.3
221.11911	0.5
226.22035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.6
61.65040	0.4
61.86670	0.5
68.40641	0.5
69.03450	1.0
71.01363	0.5
81.03444	0.6
85.02931	0.6
91.01893	0.6
96.99424	0.5
103.74731	0.5
107.01383	4.5
113.02356	0.6
119.01360	1.8
135.00868	10.6
147.00909	0.7
149.06065	0.6
150.03163	1.0
161.02458	0.5
163.00362	24.1
164.00696	1.0
177.01854	0.6
177.05586	0.5
178.02670	0.9
190.99849	95.6
192.00188	4.0
205.01381	0.8
206.02188	100.0
207.02551	4.7
221.04538	23.9
221.07788	0.6
221.11746	1.1
222.04834	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0773
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
54.96176	1.1
59.01371	4.1
61.98843	1.9
69.03469	1.0
71.01377	1.7
72.00914	9.0
74.02477	21.8
75.00873	1.2
78.32043	1.2
79.95733	1.1
83.05031	3.9
85.02962	2.8
86.02479	4.5
87.00930	1.2
93.03461	2.4
98.20574	2.3
99.90858	1.2
101.06107	1.7
102.07706	1.0
108.07308	1.1
113.03579	2.1
116.05094	1.6
117.03487	1.3
118.06621	2.4
119.05034	3.0
120.04570	1.3
120.99689	1.3
121.02950	2.0
130.06622	1.9
131.01770	1.1
131.03792	1.9
131.05042	1.5
132.04559	59.5
133.04886	2.1
144.04550	37.2
145.05013	2.9
147.04512	5.7
157.07713	19.8
158.06140	8.3
162.05632	1.9
163.03993	2.2
166.10394	1.1
166.11809	1.2
170.68091	1.1
173.05930	1.3
175.03990	7.3
175.08812	15.6
176.01120	2.2
176.04617	1.4
176.07132	1.7
191.03571	2.4
191.07193	1.5
193.80695	1.1
201.06746	4.5
202.05006	1.4
203.14291	1.1
204.04218	1.4
219.01080	1.5
219.03111	8.4
219.07787	59.7
219.10120	2.6
219.17528	100.0
220.06195	1.4
220.08049	2.6
220.17825	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	218.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46906	0.4
59.01380	2.6
61.88812	0.5
63.59291	0.5
70.64338	0.5
71.01383	11.8
71.05022	18.7
71.29314	1.0
72.00907	0.9
72.04534	0.6
88.04043	100.0
89.04362	1.4
99.04519	6.5
102.05672	0.5
116.07153	2.3
129.05557	1.0
146.08232	48.7
147.08540	1.3
147.74373	0.5
177.44325	0.5
197.98601	0.5
218.10312	23.7
219.17554	1.9
227.57431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0775
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.00404	0.3
58.99602	0.4
59.01382	1.7
61.98825	4.1
69.03457	0.3
70.15371	1.2
71.01389	0.8
71.05025	0.5
72.00940	0.3
72.99300	0.4
74.02487	0.9
75.00877	0.6
85.02959	1.2
86.02492	1.3
87.00900	0.3
87.04540	0.3
88.04041	2.9
89.03835	0.3
89.04395	1.3
92.05070	2.4
93.03509	0.3
99.04587	0.3
100.04792	0.3
111.04505	0.4
115.73196	0.3
119.05041	0.4
120.04565	0.8
125.02418	0.6
128.05086	0.8
129.01942	0.3
130.06630	2.1
131.03763	1.3
132.04565	1.2
134.06154	0.8
137.92310	0.3
139.04050	0.5
144.04549	1.7
146.04875	2.8
146.06003	0.4
146.08232	0.7
147.04529	0.6
147.08565	1.1
149.06029	0.3
156.06917	0.3
157.07707	100.0
158.08063	4.1
175.02701	0.3
175.04042	1.0
175.07613	0.2
175.08806	3.0
175.11234	0.3
175.12709	0.3
201.06679	3.4
219.03014	1.0
219.07750	11.7
219.10568	1.0
219.17526	14.3
220.08040	0.5
220.17831	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.70608	0.5
52.30593	0.7
59.01391	2.7
71.01383	12.2
71.04624	0.9
71.05020	17.7
71.36648	0.5
71.36965	0.7
72.00906	1.2
82.94723	0.5
88.04041	100.0
89.04360	1.9
99.04515	7.2
105.03785	0.9
116.07183	2.5
129.05573	0.7
131.01720	1.8
146.08229	48.7
147.08533	1.6
163.03488	0.6
171.96635	0.5
174.05862	2.8
174.81203	0.5
218.04788	1.0
218.08406	1.1
218.10313	26.9
219.10599	1.0
219.17548	3.2
220.38593	0.6
235.73759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0714
Annotation	CHEBI:70632
Peak:m/z	Relative Intensity
52.17645	0.2
59.01380	0.2
65.00287	0.2
69.36051	0.3
69.36456	1.7
69.81594	0.2
91.12055	0.2
91.76582	0.2
93.84502	0.2
98.20616	0.5
122.89395	0.9
144.00902	1.1
153.12856	7.5
154.13182	0.5
172.05316	3.9
186.89757	0.5
187.07568	0.4
197.11829	7.1
198.12206	0.4
200.04788	28.0
201.05098	1.3
215.01083	8.4
215.07121	100.0
215.12823	16.1
216.01323	0.4
216.07494	5.9
216.13171	1.1
232.03761	10.9
233.04198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	1.2
61.98848	0.5
66.59661	0.4
70.90778	0.9
79.96062	0.4
84.40427	0.4
90.97144	1.3
114.98164	0.5
114.98907	1.8
118.96601	0.4
127.44859	0.4
132.98193	2.6
156.99953	2.6
158.80579	0.4
168.45050	0.4
172.61288	0.4
174.99245	27.1
175.99582	0.8
185.53891	0.4
217.00298	26.8
218.00710	0.7
218.98303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0562
Annotation	cis-(Homo)3-aconitate
Peak:m/z	Relative Intensity
51.97332	1.2
55.01880	9.2
57.03438	2.1
58.02960	6.0
59.01384	8.0
61.98808	1.8
65.75567	1.2
65.93641	1.4
67.04710	1.2
67.81390	1.4
68.99796	4.4
69.03428	2.6
69.77746	7.5
71.01358	3.3
71.05003	3.1
72.00893	4.4
72.99300	4.3
73.02939	3.6
74.02460	1.8
80.02641	3.7
81.03446	7.0
83.05019	3.0
85.02917	2.1
87.00891	3.0
87.04504	2.5
93.03441	2.8
93.21326	1.4
95.01323	1.4
95.04987	3.8
96.99283	2.7
97.02933	6.8
97.06587	100.0
98.02412	1.6
98.06934	1.7
98.20485	2.3
99.00883	7.9
99.04491	4.2
101.02432	1.3
107.05030	17.1
107.82719	1.3
108.02151	4.4
109.02946	4.2
109.05876	2.8
109.06588	43.9
111.04504	3.2
115.04011	18.7
116.07166	2.4
117.01926	2.1
122.89393	2.9
123.04521	50.7
125.02399	2.2
125.06084	57.8
127.00336	2.1
127.03957	2.6
127.07618	2.8
129.10315	1.8
130.08754	1.8
135.04523	40.1
136.04834	1.9
141.05573	23.8
143.07144	10.2
144.00896	11.3
144.01875	1.8
144.02991	9.0
144.04471	1.8
151.04048	7.9
153.05571	12.6
155.03316	1.4
159.02922	1.9
167.03575	1.5
169.05055	22.4
171.06662	3.7
173.07147	5.1
179.03452	3.7
185.04596	2.2
187.02478	2.8
187.06117	18.6
197.04539	22.3
197.95741	1.4
215.00928	61.3
215.05530	18.8
215.07533	2.3
215.08847	2.6
215.12698	2.8
216.01234	3.9
216.06636	1.6
216.08739	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	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01383	0.5
66.51070	0.3
66.92535	0.3
67.18166	0.3
70.92413	0.7
70.92751	0.4
79.97899	0.3
94.29449	0.3
99.21098	0.3
114.84054	0.3
121.54940	0.3
165.12860	0.3
167.14377	0.4
183.13896	27.9
184.14236	1.2
195.13898	23.2
196.14238	1.3
211.13423	0.8
213.14955	100.0
214.15285	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	215.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67630	5.0
55.01873	12.6
56.46060	4.9
58.02969	7.8
59.01380	35.7
71.01389	34.0
71.60201	6.2
72.04553	18.7
72.99306	32.2
81.03458	10.1
82.02991	26.7
83.01416	9.1
83.05052	6.8
84.04552	5.1
85.02963	11.7
85.17374	4.8
87.00883	47.9
87.92532	4.9
88.04050	6.0
89.02445	21.8
97.02941	30.0
97.06590	88.1
98.02486	19.2
99.00874	13.5
100.04015	19.8
103.01077	5.2
107.05015	18.1
109.06613	42.6
111.04524	6.8
113.02420	9.9
114.05613	9.9
115.00359	17.6
115.04014	100.0
116.07127	6.0
117.00474	5.8
123.04540	28.7
125.06075	31.7
126.01987	5.9
126.05624	9.2
126.09206	8.3
127.07594	7.8
129.01750	5.0
131.08244	6.7
135.04538	28.2
141.05605	14.2
142.64838	5.5
142.99843	8.1
143.07074	6.6
143.11882	13.5
144.00920	13.5
144.03011	12.8
151.04033	5.6
153.05595	11.6
154.08717	7.1
161.00899	22.5
168.10245	5.4
169.05028	14.5
169.09837	8.4
171.09962	7.0
171.11389	18.4
171.15038	11.2
172.09808	12.9
172.99408	20.5
173.09296	6.6
187.06151	6.3
197.04562	19.7
215.00970	83.3
215.05319	26.5
215.10333	17.8
215.14052	27.5
216.08745	71.1
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	Unknow
Peak:m/z	Relative Intensity
71.61614	0.7
74.53679	0.4
86.24905	0.5
97.06595	1.4
151.11279	11.1
169.12344	100.0
170.12714	3.6
195.10185	0.7
204.26927	0.5
213.05536	0.9
213.09306	1.0
213.11311	14.7
213.14879	1.8
213.18602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
59.01360	0.4
62.39487	0.3
69.03459	0.4
70.85588	0.4
70.85933	0.7
74.66127	0.3
97.06559	0.7
97.91767	0.4
101.10720	0.3
111.19431	0.4
116.07201	0.5
125.09740	0.7
135.87383	0.4
141.84369	0.4
151.11282	13.2
153.09308	0.3
169.12340	100.0
170.12683	4.0
194.99359	0.4
195.10345	0.7
211.63173	0.4
213.09383	0.6
213.11331	12.1
213.14946	1.3
213.18613	0.6
214.11623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29158	0.6
56.74402	0.6
69.03487	0.6
69.39049	4.6
69.39452	1.3
78.24083	0.5
98.20625	1.4
114.61740	0.7
118.46665	0.6
161.75957	0.6
163.81676	0.6
165.12926	0.8
167.14388	1.5
183.13905	13.9
183.15518	0.7
184.14267	0.9
193.12274	4.0
211.13412	100.0
212.13712	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
56.17836	0.4
62.92722	0.5
69.03458	0.5
69.75340	2.4
70.76146	0.4
98.19865	0.8
114.77659	0.4
126.29696	0.4
146.34856	0.4
155.10846	0.4
167.10817	0.6
167.14438	1.3
183.13898	14.5
184.14201	0.5
193.12311	3.7
211.13387	100.0
212.13730	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.18263	0.2
57.03434	0.3
60.17965	0.2
66.44322	0.2
67.01897	2.5
69.03450	0.4
69.39108	1.4
69.39522	0.4
71.69678	0.2
83.05014	0.8
85.06578	0.6
95.01389	0.4
97.06593	0.3
97.49171	0.2
123.08168	0.4
125.09724	5.4
151.11263	0.2
161.51877	0.2
167.14406	4.1
175.11269	0.3
183.13908	0.8
193.12340	0.4
211.13399	100.0
212.13733	4.7
212.15570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.0
59.01381	100.0
60.01726	1.0
69.28118	0.8
69.28523	2.4
80.02707	0.7
81.03473	1.7
82.03779	0.3
97.06611	3.5
98.52761	0.3
109.06600	3.9
121.02959	2.9
138.47073	0.4
149.09761	0.4
161.55843	0.3
165.12842	4.2
209.04414	0.5
209.09840	0.8
209.11826	14.5
210.12170	0.9
226.03510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41716	0.2
55.71850	0.2
61.98832	100.0
62.98526	0.3
64.52171	0.3
71.14407	0.6
72.27767	0.2
91.02946	0.3
121.61546	0.3
124.04057	0.6
126.59441	0.3
159.40150	0.3
164.96417	0.5
209.94897	31.3
210.94890	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	210.0408
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
59.01375	1.1
61.98835	0.9
63.52737	0.3
64.01915	0.7
68.31323	0.3
69.97442	1.2
72.99309	0.5
77.03968	0.9
85.02975	0.5
88.01262	0.4
90.00971	0.4
91.59418	0.4
92.05066	0.6
94.03000	1.9
95.01402	0.5
95.05043	0.7
96.95977	0.9
98.19913	0.4
103.04293	2.2
104.05071	39.9
105.05425	1.5
109.02968	0.6
109.06631	0.4
110.06107	0.4
120.04559	6.2
121.03007	0.5
121.06544	0.5
122.06120	1.6
123.00886	0.4
123.04549	0.7
123.08275	0.5
124.04045	5.1
134.03830	0.4
135.03293	0.7
135.04500	0.6
136.01660	0.6
137.02432	0.6
143.79568	0.4
148.04050	62.8
149.04436	2.3
151.04021	0.7
152.01118	0.6
153.05583	0.6
162.64635	0.4
166.05096	100.0
167.03458	0.6
167.05423	3.3
181.04907	0.7
195.03067	0.8
210.04092	11.5
210.07231	0.9
211.04358	0.5
211.06149	1.0
211.13373	1.6
214.50240	0.4
232.03734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03452	5.8
59.01379	3.4
61.98827	7.6
69.03455	3.2
70.18884	3.0
71.01391	22.3
71.05023	2.1
73.02956	2.3
80.02691	2.7
81.03454	3.1
83.05037	5.0
84.02168	1.6
85.02969	1.0
91.01926	0.9
92.99815	1.0
93.03465	3.0
95.05022	5.0
97.06599	4.7
99.48784	1.0
107.04980	1.0
109.06574	1.5
111.08170	3.7
112.01689	1.0
120.02257	1.0
121.02965	60.3
122.03304	1.1
123.04565	0.9
123.08167	2.0
124.04033	5.7
125.02437	1.1
125.09724	7.7
133.10150	0.9
134.03778	1.1
135.08153	1.8
136.01668	1.3
136.98769	1.1
137.02420	1.3
137.09814	1.1
144.00644	1.0
145.10280	2.0
147.11739	2.1
149.09729	1.4
151.11298	30.0
152.11627	1.3
153.09190	1.2
153.12833	2.9
161.09680	1.3
163.11304	8.0
164.98326	1.4
165.12852	22.6
167.10764	1.5
173.09677	3.4
179.03482	1.4
179.10805	5.9
181.12346	38.4
182.12717	1.6
191.10783	19.9
194.02248	1.0
194.05916	1.3
205.96762	0.8
209.00883	1.6
209.04558	9.1
209.11833	100.0
209.94917	3.2
210.12195	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	209.1182
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
55.01873	2.3
57.03458	5.5
59.01381	1.2
62.26863	0.6
69.03463	2.5
69.50916	4.7
71.01382	13.5
71.05006	2.0
73.02951	1.4
80.02688	1.2
80.05441	0.6
81.03472	3.4
83.01395	12.8
83.05032	6.0
84.02163	1.8
86.11205	0.6
93.03473	1.4
95.05056	2.9
97.06596	5.7
106.04195	0.8
109.06589	1.1
111.08149	2.3
121.02952	11.0
123.08145	2.2
124.04050	0.7
125.09721	16.3
134.03664	1.0
135.08142	1.5
137.73532	0.7
142.93312	0.6
145.10225	1.7
147.11769	2.2
149.09732	1.0
151.11278	18.9
153.12856	2.8
161.09737	1.0
163.11273	10.0
165.11540	1.2
165.12833	14.8
167.10722	0.9
173.09694	2.4
179.10793	3.3
181.12325	28.8
182.12608	1.2
191.10767	17.4
192.11125	1.0
199.20741	0.6
209.11818	100.0
210.12157	4.7
216.32494	0.6
216.63873	0.6
220.96709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.9
58.00582	1.5
59.01371	2.9
60.87203	0.6
61.98828	0.8
66.20793	0.7
68.48042	0.9
69.03457	2.3
70.12479	1.7
70.12870	2.1
71.01381	17.3
71.05000	1.0
71.51227	0.7
71.83364	0.7
73.02953	1.5
73.87729	0.8
80.02666	1.5
81.03457	3.3
81.30170	0.8
83.01369	2.6
83.05027	6.1
84.02144	1.6
93.03462	2.3
93.80074	0.8
95.05044	3.8
97.06588	6.1
109.06628	0.9
111.08157	3.8
112.01644	1.1
121.02954	14.0
123.08159	1.5
124.04021	1.0
125.09724	10.6
134.03743	1.8
135.08141	1.9
137.09714	1.6
138.06108	0.9
144.00568	0.9
145.10242	2.4
147.11790	2.5
149.09613	1.3
151.11288	27.5
152.11594	1.3
153.12842	4.2
161.09668	1.6
163.11302	9.3
164.59566	0.7
165.12848	27.4
166.13168	1.5
167.10780	4.3
173.09758	2.9
179.10776	6.2
181.12340	38.7
182.12682	2.4
191.10788	18.6
192.11111	1.1
209.04520	1.6
209.11827	100.0
210.12166	5.6
215.68668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.3
58.39142	1.0
59.01379	14.8
69.03458	29.4
71.05013	4.0
71.05391	0.9
83.05028	3.7
87.40154	1.0
93.03459	2.6
95.05025	4.0
97.06513	1.0
101.71243	0.9
107.08677	1.0
108.05813	2.1
109.06609	2.7
111.08146	5.7
119.08701	1.4
121.02947	7.3
121.10226	2.8
127.07639	1.7
135.08179	2.3
141.04430	0.9
147.11835	2.0
153.09209	7.3
163.11269	3.5
165.09175	3.1
165.12846	25.0
173.09766	1.9
181.12343	27.1
182.12595	1.7
191.10782	33.2
192.11127	1.8
209.11823	100.0
210.12111	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	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
57.03446	2.8
66.48226	0.3
69.03452	1.4
71.01343	0.4
71.05019	0.9
71.30227	0.7
80.02678	0.7
81.03452	5.3
83.01387	32.5
83.05017	4.4
84.01708	0.7
84.02159	1.5
93.03428	0.5
95.05034	1.7
97.06590	5.5
99.00880	0.3
99.04519	0.3
107.04997	0.5
109.06576	0.6
111.08160	0.9
121.02961	4.2
123.08154	3.2
125.09722	28.7
126.10082	0.9
132.92570	0.3
134.03729	0.4
135.08141	2.5
147.11781	1.3
161.09668	0.5
163.11275	13.3
164.11659	0.8
165.12842	3.5
167.10759	0.9
173.09718	0.6
181.12302	2.5
184.63644	0.3
191.10777	9.6
192.11186	0.4
209.11819	100.0
210.12140	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	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
58.00615	2.0
59.01387	23.0
59.89334	1.5
69.03461	5.7
69.44525	8.0
69.44954	5.6
71.01382	6.9
71.05038	12.7
72.02164	1.7
73.02945	3.6
76.79061	1.4
80.02661	1.6
81.03468	8.6
83.05028	12.2
86.00092	4.2
93.03462	7.6
95.01384	1.6
95.05035	4.0
96.96019	2.8
97.02973	7.2
97.06606	3.5
98.20698	1.9
99.04532	5.2
100.01677	23.4
108.02206	4.1
109.02962	79.9
111.04523	20.2
111.08122	1.7
118.00565	1.5
121.02963	35.7
122.03815	2.1
123.04531	4.0
124.04054	2.8
125.02452	3.1
127.04013	9.1
137.09735	2.6
140.04781	4.5
147.11827	8.5
149.09726	7.9
151.11301	5.2
153.12915	2.0
161.02495	1.8
161.09744	15.3
163.11313	6.6
165.12898	8.6
167.10818	1.6
177.09160	6.2
179.03528	3.5
179.10840	11.7
181.12341	6.0
191.10846	5.7
194.05930	2.5
209.04553	5.0
209.08585	3.3
209.11848	100.0
210.12161	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.3
57.03457	2.7
59.01373	0.9
61.98820	1.4
69.03461	1.3
69.56776	3.2
71.01381	1.5
71.05018	0.9
72.26974	0.6
76.04191	0.4
78.04240	0.4
80.02673	1.1
80.43449	0.4
81.03460	4.9
83.01389	30.1
83.05031	3.5
84.01706	0.6
84.02175	1.2
93.03453	0.9
95.05040	2.4
97.02956	0.7
97.06590	6.0
109.06583	0.5
110.03683	0.4
111.08202	1.0
121.02956	11.6
123.08155	2.7
124.04078	0.6
125.09728	26.7
126.10020	0.5
135.08150	2.7
147.11832	1.0
151.11270	2.5
153.12869	0.5
161.09726	0.8
163.11284	11.4
164.11638	0.6
165.12840	6.2
167.10786	1.7
177.09277	0.5
179.03508	0.6
181.12314	4.0
191.10774	8.8
209.04584	1.4
209.11829	100.0
210.12163	4.4
227.29343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03420	0.4
57.63619	0.4
59.01368	0.9
59.97772	0.4
61.98816	0.8
62.50766	0.4
62.57601	0.4
67.94893	0.5
68.26498	0.4
69.03471	0.4
70.50272	1.5
70.55792	0.4
80.03123	0.5
83.01385	2.1
83.05025	1.1
87.36401	0.5
97.06581	0.6
103.79939	0.4
112.85195	0.5
121.02954	9.3
124.04015	0.6
125.09725	3.6
163.11320	0.8
165.12833	1.2
167.10751	2.4
181.12265	0.6
191.10733	1.4
209.04453	1.7
209.11819	100.0
210.12170	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90074	0.7
53.44606	0.7
55.01881	1.8
57.03446	3.4
59.01373	2.6
61.98821	2.2
65.60526	0.6
67.01891	0.8
69.03441	1.8
69.80766	1.4
69.81178	2.5
79.91598	0.6
80.02682	0.7
81.03457	2.5
83.01389	17.4
83.05027	7.7
84.01700	0.7
84.02155	0.9
89.05616	0.7
92.69911	0.6
95.05019	2.3
97.06598	5.9
100.81979	0.8
108.02286	0.6
109.06643	0.8
111.08181	0.8
113.31689	0.7
121.02962	23.3
123.08163	3.0
124.04075	1.7
125.06083	0.7
125.09725	28.9
135.08150	1.7
137.09662	0.8
139.00427	0.8
147.11823	1.2
149.09653	0.9
163.11324	5.8
165.12871	6.9
167.10771	25.4
168.11099	1.2
170.79704	0.7
173.09676	1.0
181.12318	2.7
191.10768	6.6
209.04555	3.0
209.11826	100.0
210.12161	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	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84738	0.3
59.01366	0.8
67.01913	0.3
67.71369	0.3
69.35847	2.3
69.36263	1.0
79.05526	0.5
80.02673	0.5
81.03456	1.3
83.05033	1.8
85.02945	1.1
88.01697	0.3
93.03443	0.5
94.02998	0.5
95.01378	0.7
95.05031	0.4
102.51455	0.3
107.05028	0.5
108.02209	0.5
109.02962	0.8
109.06634	0.4
121.02960	16.7
121.06574	0.7
122.03231	0.4
123.04529	4.7
124.04053	1.0
133.92262	0.4
135.08195	0.3
136.01656	0.6
137.02412	0.6
149.06082	0.7
151.04007	28.6
152.04366	0.4
154.34824	0.4
161.02478	1.6
163.11311	1.3
165.05542	0.8
165.12886	1.2
166.02713	0.4
176.04755	0.7
179.03496	100.0
180.03842	3.7
183.32785	0.3
191.06975	0.5
191.10844	0.5
193.05069	1.2
194.05836	99.0
195.06161	4.1
204.25772	0.3
209.04619	2.3
209.06676	1.0
209.08202	28.2
209.11786	19.4
210.04941	0.4
210.08510	1.1
210.12155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95814	0.4
57.03458	1.0
59.01372	1.2
65.00314	0.4
66.01137	0.6
67.01859	0.4
70.04520	2.0
71.01372	0.6
73.02953	1.1
81.03474	0.8
83.05027	1.4
85.02943	2.0
87.00890	0.8
91.01906	1.1
91.05542	2.3
91.06048	0.4
93.03472	1.8
95.01385	0.7
95.05029	1.8
105.03458	5.5
107.05003	0.8
108.02178	0.8
109.01731	0.6
109.02967	1.0
117.03507	1.0
120.02183	2.0
121.02954	100.0
122.03236	2.6
123.04520	1.4
124.04037	1.2
129.01950	1.5
129.74973	0.4
133.02939	3.2
134.03795	0.6
135.04527	35.7
136.01671	1.2
136.04807	0.8
137.02342	0.9
137.06001	0.5
145.02924	1.0
147.04530	3.6
149.02512	0.6
149.06061	0.7
150.03221	1.3
151.03998	17.7
152.04306	0.6
153.01816	0.9
158.03716	0.7
159.04524	0.5
161.02435	45.4
162.02869	2.4
163.04004	15.9
163.11290	0.7
165.01904	0.6
165.05528	1.4
166.00949	0.4
166.05057	0.9
174.03200	1.1
175.03984	11.1
176.04781	25.3
177.05191	1.2
179.03493	61.8
180.03865	2.7
181.03349	1.1
181.04994	0.8
190.00844	0.8
191.01714	7.2
191.07114	7.9
193.05176	0.6
194.02159	2.0
194.05833	39.8
195.06175	1.5
209.02750	28.8
209.04573	12.2
209.06192	0.7
209.08191	13.6
209.11786	10.8
210.02960	0.9
210.04895	0.7
210.08487	0.9
210.12103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01372	0.9
60.96080	0.4
65.00337	0.8
70.99759	0.8
71.01367	0.5
77.03970	0.6
85.02956	2.0
87.00883	0.5
91.01902	1.1
93.03435	2.6
94.03793	0.7
95.01412	0.6
95.05034	3.1
96.96008	0.5
105.03460	10.7
107.05033	0.7
108.02203	0.4
109.02985	0.6
113.35380	0.4
118.30289	0.3
120.02184	1.8
121.02954	62.5
122.03242	2.5
123.04507	1.1
124.04015	0.7
129.01921	1.2
133.02957	5.3
135.04504	1.5
136.01668	1.0
137.02350	0.6
147.04514	1.2
149.02513	0.5
150.03111	1.7
151.04002	26.9
152.04309	0.8
152.94000	0.3
161.02441	66.8
162.02751	2.7
164.04410	0.6
165.05510	0.4
166.00830	0.4
166.05089	1.0
175.04057	0.6
176.04781	31.1
177.05138	1.5
179.03491	100.0
180.03827	3.6
181.05086	0.6
191.07133	11.0
193.05089	0.4
194.02237	2.6
194.05827	88.1
195.06154	4.4
209.02660	0.9
209.04688	7.2
209.06729	1.4
209.08197	24.2
209.11800	2.0
210.08516	1.1
215.39180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0667
Annotation	alpha-D-Mannoheptulopyranose
Peak:m/z	Relative Intensity
54.93339	0.8
55.01882	4.7
57.03448	28.1
57.79480	0.9
58.00587	1.7
59.01379	23.5
62.32951	0.8
68.99821	2.2
70.72294	2.5
71.01387	12.7
72.99285	1.3
73.02930	2.7
75.00853	0.9
83.01398	6.9
84.02170	9.1
85.02950	77.4
86.00133	1.4
86.03281	1.3
87.00877	33.7
87.04542	1.1
89.02441	6.8
97.02958	1.7
99.00889	6.7
101.02453	4.3
111.00880	8.5
129.01941	54.6
130.02304	1.7
131.03506	1.4
135.02995	1.0
141.01950	4.1
159.02986	11.5
191.05627	1.9
193.75253	0.9
209.06659	100.0
210.06995	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	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71419	0.4
57.03448	2.9
59.01376	1.5
65.00331	0.6
68.66055	0.4
70.61816	0.8
70.62177	0.8
71.01382	0.7
73.02947	0.4
77.03979	0.6
83.01416	0.5
83.05052	0.6
85.02949	3.6
87.00890	1.3
91.01902	1.4
93.03464	2.5
94.03036	0.4
94.03765	0.4
95.01406	0.6
95.05047	1.7
105.03460	7.8
106.13784	0.4
107.13085	0.4
109.02942	0.6
111.00899	0.4
117.03458	0.7
120.02172	1.3
121.02956	100.0
122.03252	3.3
123.04520	1.1
124.04048	1.3
126.52332	0.4
129.01976	2.6
133.02963	4.1
135.04521	1.4
136.01630	1.3
137.02432	0.8
137.06042	0.4
147.04503	0.7
149.02469	0.6
150.03171	1.6
151.04015	20.5
152.04353	0.4
161.02441	51.7
162.02756	1.0
165.01895	0.5
165.05563	1.1
166.05084	1.3
175.04060	0.4
176.01208	0.7
176.04779	25.1
177.05240	0.9
179.03493	76.5
180.03816	3.3
181.05009	0.5
191.07126	8.8
193.05104	0.6
194.02242	2.1
194.05832	66.4
195.06192	2.8
196.09764	0.4
205.79893	0.4
208.99100	1.1
209.03009	0.4
209.04536	13.6
209.06557	2.9
209.08189	18.7
209.11559	3.4
210.04852	0.6
210.08617	0.5
210.12869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
54.78593	0.4
57.03442	1.2
59.01373	1.1
65.00306	0.5
65.99844	0.3
66.01105	0.5
67.54922	0.3
69.92489	0.3
71.01372	0.7
71.61925	0.4
72.18974	0.3
73.36716	0.3
74.02481	0.7
75.00852	0.3
77.03966	0.4
79.62862	0.3
80.63070	0.3
83.01353	0.4
83.05039	0.4
85.02946	2.2
87.00892	1.1
89.02456	0.3
91.01896	1.1
93.03465	0.9
94.06607	0.6
95.01374	0.7
95.05053	0.9
96.32272	0.3
103.35253	0.3
105.03459	1.2
108.02204	0.4
109.01737	0.4
109.02945	0.8
111.00909	0.5
115.78011	0.3
116.59820	0.4
120.02196	1.5
121.02956	100.0
122.03252	2.3
123.00821	0.4
124.04064	1.1
129.01933	1.7
133.02953	1.2
135.04504	0.8
136.01653	1.5
137.02432	1.2
137.06065	0.4
150.03233	1.6
151.04008	3.3
159.03009	0.4
161.02440	7.4
162.02823	0.5
163.03935	0.4
165.00098	0.4
165.01952	0.5
165.05548	0.6
165.09151	0.4
166.05080	0.8
166.08635	0.4
176.01109	0.4
176.04778	4.4
179.03499	13.0
180.03914	0.5
181.05057	0.8
190.99811	0.5
191.07152	1.4
194.00439	0.3
194.02208	1.9
194.05853	9.5
195.06311	0.5
209.01080	0.6
209.04564	14.5
209.06577	2.5
209.08235	2.8
209.11812	3.4
210.04939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.098
Annotation	Anhalamine
Peak:m/z	Relative Intensity
55.01886	1.0
57.03444	4.7
59.01383	7.2
71.01392	4.7
71.60493	2.1
72.99289	1.1
83.01389	2.2
85.02956	20.3
86.02480	27.0
86.02992	1.9
87.00880	5.9
89.02431	1.2
91.05542	5.5
92.07264	1.0
93.03455	2.6
95.05036	1.4
97.06593	1.6
98.02481	3.7
101.02441	1.0
107.05035	2.0
108.02187	1.1
108.04564	1.3
109.02979	1.3
111.00866	1.5
113.02451	1.0
116.03535	15.5
119.05006	3.1
121.02971	6.5
122.02460	1.0
122.06094	1.2
123.04510	1.7
129.01949	7.8
132.08202	3.4
135.04521	3.7
136.04031	1.3
137.02438	2.4
141.02028	1.5
147.04529	71.5
148.04910	2.4
149.02394	2.1
150.03183	1.8
151.04016	1.0
159.02995	2.6
160.07660	5.3
162.09322	1.5
163.04008	1.7
164.07159	2.5
165.01949	1.2
165.05618	1.5
166.02689	1.1
174.35100	0.9
178.02327	1.4
179.03514	3.0
181.05296	1.0
188.52171	0.9
190.08688	2.1
193.01364	2.2
193.04704	1.7
193.50172	0.9
194.02142	2.1
194.05861	1.8
208.06335	4.1
208.09787	100.0
209.03049	1.6
209.04584	4.1
209.06651	11.6
209.08269	1.6
209.10028	3.0
209.11798	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	207.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76534	0.8
57.03441	4.2
59.01377	2.4
59.89340	0.8
71.05022	1.7
77.67419	0.8
83.05025	2.5
98.01395	0.8
105.07079	1.0
106.46843	0.9
123.08123	3.7
137.09724	2.5
149.02383	0.9
153.10529	0.7
155.08656	3.6
163.11266	2.1
164.89574	0.8
171.11810	7.9
173.09697	9.6
177.01941	3.1
189.12846	100.0
190.13145	4.4
192.00636	9.7
192.04286	2.4
207.02966	3.7
207.06639	2.0
207.10231	1.0
207.13878	13.8
208.00813	1.3
208.09706	0.9
229.99106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1026
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
57.03444	3.0
59.01376	34.9
69.03458	1.8
69.89940	1.2
74.17559	1.1
75.00880	1.4
80.02688	4.9
81.03455	13.3
83.01392	1.6
83.05017	9.4
85.02950	1.9
93.03455	5.0
94.02989	1.2
95.05027	3.1
96.96012	1.3
97.02955	16.5
98.19869	2.2
105.26445	1.3
106.04231	1.8
107.05035	4.7
109.06591	100.0
110.03733	4.2
110.06908	2.3
111.04593	1.2
112.41268	1.2
119.05056	1.0
121.02908	1.6
121.06589	8.9
123.04515	3.4
133.06609	2.5
135.00891	2.5
135.04526	5.4
135.08157	17.9
136.05307	5.8
142.02710	9.3
145.10240	2.0
149.02443	3.8
161.09685	7.0
163.00409	4.7
163.04002	2.1
163.07620	2.2
163.11295	50.2
164.89519	2.2
165.09184	3.5
174.85107	1.1
177.01941	18.9
178.99803	1.8
179.03551	1.5
179.10786	2.9
189.09277	4.5
191.03667	1.2
192.00639	10.3
192.02647	1.9
192.04303	21.2
206.99345	3.1
207.02975	5.2
207.06685	6.3
207.10260	100.0
208.10562	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	206.9744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95978	0.1
59.01379	0.3
61.98831	100.0
62.20925	0.1
70.07021	0.4
70.28150	0.1
79.05773	0.1
123.04550	0.2
144.54727	0.1
149.02461	0.1
162.98454	1.0
164.96414	0.4
171.51869	0.1
177.01932	0.4
192.00626	0.5
192.04297	0.5
206.97444	8.0
207.06599	0.2
207.10260	0.1
207.97583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50154	0.6
59.01381	7.2
61.98832	100.0
68.95866	0.6
70.19692	1.6
70.20080	1.4
85.02968	0.8
89.92571	1.7
93.03465	0.8
98.20572	0.7
99.92593	2.1
121.03012	1.1
121.06647	0.9
122.89453	1.2
124.89078	0.8
135.00888	0.7
135.04527	0.8
137.09735	1.1
143.86636	0.9
144.95189	0.7
149.02512	2.0
163.00371	0.8
163.04044	0.7
164.04848	0.9
164.89581	2.8
177.01942	7.7
192.00685	9.1
192.02278	1.1
192.02582	1.0
192.04286	8.8
206.82474	2.2
206.97485	4.7
207.03018	3.2
207.06540	3.3
207.10342	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
55.12562	0.7
55.94524	0.8
58.02975	70.8
69.07285	0.9
69.58738	4.9
70.02975	12.7
71.90166	0.7
72.00906	6.9
72.45033	0.8
82.42115	0.7
86.59660	0.7
91.05537	10.3
93.85825	0.9
94.93439	0.7
133.47386	0.8
135.00853	1.2
135.04541	1.7
147.04526	36.0
148.04912	1.9
162.09239	1.3
163.00368	1.6
163.29359	0.7
164.07170	100.0
165.07523	3.7
190.99870	3.3
192.00566	0.9
192.04256	1.1
206.08218	37.8
207.08553	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	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.8
58.02978	38.3
59.03314	0.8
66.72591	0.6
69.03481	1.0
70.02979	15.4
71.75674	0.6
72.00918	6.2
74.34596	0.6
79.01896	0.6
91.01933	0.6
91.05536	11.0
102.10197	0.6
107.01414	3.8
110.89045	0.6
119.01406	1.5
135.00916	4.9
135.04562	1.3
147.00919	0.8
147.04536	39.7
148.04893	1.0
162.09239	1.7
163.00400	9.1
164.07179	100.0
165.07530	3.2
190.99866	22.7
192.00343	1.3
193.85890	0.7
195.78400	0.7
206.02231	5.1
206.08223	35.9
207.08577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41186	0.1
53.05949	0.1
59.01376	0.3
64.26354	0.1
66.45023	0.1
71.01363	0.3
71.53082	0.1
71.61761	0.2
72.99274	0.1
75.00859	0.2
76.68864	0.1
81.84354	0.1
92.99782	0.1
99.00871	0.1
104.01035	0.1
115.00344	0.3
117.03488	0.2
120.36209	0.1
149.09697	0.1
154.99875	0.1
161.02457	0.2
161.06027	0.1
162.89307	0.6
189.12845	1.8
205.01442	0.2
205.15964	100.0
206.16306	6.1
226.38121	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	205.0354
Annotation	(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate
Peak:m/z	Relative Intensity
55.01867	3.4
57.03436	4.9
58.00592	1.6
58.02960	1.4
59.01378	25.7
67.01900	7.5
68.99821	4.4
70.03766	1.0
71.01385	27.6
71.05010	1.3
71.36506	1.8
71.36877	1.1
72.99315	22.3
73.02949	15.7
75.00871	12.6
81.03453	3.1
83.01404	6.5
83.05063	1.0
84.02166	12.4
85.02934	4.3
87.00883	47.6
87.01431	2.2
88.04057	1.3
89.02435	3.3
96.99318	2.3
97.06605	2.2
99.00889	15.0
99.04523	11.3
101.02443	10.6
103.00375	1.4
111.00891	100.0
112.01212	2.7
112.98818	10.7
115.00377	29.0
115.04035	1.4
116.54243	1.1
117.01939	7.1
118.18089	1.0
124.98817	6.1
125.02447	12.9
127.00336	3.4
129.01979	6.5
132.13269	1.1
142.99887	7.5
143.03502	9.8
143.07156	4.8
145.01428	9.2
154.99884	11.8
161.04321	1.1
173.00989	5.2
175.02541	3.1
187.02461	2.4
187.06133	3.2
205.03560	9.5
205.07146	4.1
205.08990	2.4
218.67935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0827
Annotation	Tryptophan
Peak:m/z	Relative Intensity
54.34584	0.7
59.01361	0.8
70.02583	3.2
71.01388	0.9
72.00912	23.3
74.02475	32.3
116.05069	100.0
117.05441	3.6
130.06636	2.5
136.97314	0.7
142.06633	29.0
143.06984	1.1
157.07697	1.0
159.07959	1.0
159.09277	17.0
160.09546	0.8
160.74771	0.7
161.04802	0.9
175.79950	0.8
186.05608	5.0
191.68863	0.8
203.08264	62.1
204.08655	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	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.3
59.85731	0.1
60.01715	1.2
61.01814	0.4
61.98830	100.0
62.98515	0.1
68.53532	0.1
71.08962	0.2
71.09318	0.1
80.96508	0.2
82.87428	0.1
162.01637	0.1
204.00008	0.7
204.02647	0.7
205.16005	0.3
224.38811	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	203.0198
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02382	1.4
51.90928	1.0
55.01823	1.2
57.03450	4.5
58.02957	1.7
59.01388	2.0
60.99292	2.4
63.96664	1.1
67.01881	3.1
69.03460	77.2
70.02980	5.5
70.03788	1.7
71.01385	56.3
72.99299	7.4
73.02930	1.2
75.00874	3.6
79.01889	11.9
81.68507	1.0
83.01411	1.4
85.02953	13.4
87.00874	14.4
87.05670	1.4
88.04048	26.0
94.26038	1.1
95.01398	10.3
96.00940	3.1
97.02955	100.0
97.06588	1.2
98.03278	2.5
99.00878	3.5
100.04043	1.7
111.00890	3.3
113.02466	3.4
114.01974	12.9
115.00394	8.9
115.04042	1.2
123.00889	3.6
129.01961	6.7
141.01964	25.7
141.05563	1.7
141.34230	1.2
157.03357	1.4
159.02983	2.1
160.09792	1.4
160.89249	1.5
169.86516	1.2
185.00883	1.3
185.04517	3.3
186.07709	1.7
203.01985	93.3
203.10504	1.1
204.02251	1.7
204.08804	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	203.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62049	1.7
57.03434	5.1
59.01373	2.3
59.88178	1.6
60.99305	3.5
67.01875	3.4
69.03455	76.6
70.02967	4.0
70.03775	1.6
71.01383	55.7
71.04987	1.7
71.09328	3.6
72.99304	10.0
74.02477	4.9
75.00877	4.7
75.46476	1.3
79.01890	14.3
83.01400	1.7
84.04546	2.8
85.02956	12.9
87.00882	17.2
88.04041	14.3
92.95973	2.1
95.01413	9.0
96.00903	1.7
97.02953	100.0
98.02473	1.9
99.00886	2.3
100.04021	3.6
102.05612	10.6
105.01956	4.3
109.04060	3.7
111.00883	6.0
112.04053	1.8
113.02438	3.2
114.01973	8.4
115.00375	8.3
123.00876	7.3
126.05567	2.1
127.05143	13.9
128.03540	16.0
129.01935	6.9
141.01956	22.0
144.02977	1.8
145.06194	51.1
146.04587	22.8
157.03380	4.7
157.98663	1.6
159.02992	3.3
168.02744	6.2
175.99677	1.7
177.14044	1.6
178.01193	1.9
185.02866	1.9
185.98132	16.2
186.04129	2.1
203.01981	94.2
203.99178	17.2
204.02283	3.4
204.05078	4.2
204.08809	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	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.75394	0.5
57.03448	6.6
59.01379	1.6
61.45181	0.4
69.03451	0.9
71.05000	0.6
72.64216	0.5
75.67066	0.5
90.96821	0.4
98.19834	1.4
104.56862	0.4
110.53209	0.5
111.08154	5.2
113.02508	0.6
137.09708	1.7
139.11292	100.0
140.11636	3.2
141.01889	0.5
157.12325	2.7
159.89464	0.6
173.06093	1.6
173.85631	0.6
183.10260	41.9
184.10611	1.7
201.05582	1.8
201.11320	94.3
202.11653	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	201.0768
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
50.64747	1.1
55.01865	1.2
57.03442	4.1
59.01380	18.0
64.27451	1.0
67.01898	1.1
69.03458	3.1
70.01916	4.1
71.01391	1.5
71.05019	3.2
72.99309	8.4
73.02956	3.1
73.25754	1.1
75.00860	2.2
80.46956	1.2
81.03466	1.2
83.05027	4.7
85.02957	2.7
87.00886	1.7
87.04528	3.9
93.07118	1.4
95.01374	2.1
95.08698	1.4
97.02956	3.5
97.06592	2.0
98.19848	1.3
99.04521	42.5
99.92583	3.7
100.04079	1.3
109.06609	5.2
111.00859	1.9
111.04510	1.8
111.08168	17.9
113.09764	1.4
121.06604	3.1
125.06088	1.3
125.09753	2.8
127.04086	1.3
127.07631	4.7
130.08740	14.7
137.06082	2.7
139.07661	44.3
139.11285	2.6
140.07954	2.4
141.01938	1.1
141.93674	3.1
144.04538	2.6
149.53581	1.1
155.07109	1.7
156.03096	1.4
157.06593	2.3
157.08716	50.2
158.09096	1.8
158.89326	2.5
159.89375	2.5
165.30907	1.3
167.95421	1.4
173.06059	4.7
183.06633	29.9
183.10167	1.8
184.06976	1.3
201.05742	6.4
201.07690	100.0
201.11240	10.7
202.07980	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	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	0.3
59.01382	100.0
60.01725	0.8
65.79506	0.3
68.66473	0.3
69.94276	1.0
71.01389	0.7
72.99342	0.3
82.06647	0.6
83.05016	0.5
85.02957	0.5
88.03493	0.7
88.04047	14.3
92.46410	0.4
97.21028	0.3
98.02479	0.4
98.06159	0.5
99.92623	0.4
100.04061	1.0
101.02466	0.6
111.05688	0.6
113.02476	0.4
113.06087	0.5
115.02513	0.4
116.07208	0.7
128.03551	0.5
129.10338	0.7
130.08745	0.8
136.62199	0.3
139.07640	0.3
140.07195	0.7
140.10789	0.6
157.03580	4.7
157.06267	0.9
157.08707	0.4
157.13480	2.7
158.03636	0.4
158.08318	0.3
158.11877	0.5
159.01509	4.1
160.01598	0.3
175.02791	1.1
182.22388	0.3
198.74355	0.3
201.00725	0.4
201.02536	11.5
201.03935	0.6
201.05608	0.8
201.07587	0.7
201.12466	11.4
202.02786	0.7
202.07239	0.6
202.10770	0.6
202.12532	0.4
214.18640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
57.03454	0.6
58.00605	0.6
59.01364	0.6
63.76824	0.3
67.01896	0.4
69.45682	2.3
69.46096	0.7
71.05021	1.0
71.09167	0.4
76.02735	0.3
78.02081	0.3
85.67851	0.3
99.00896	0.8
99.08151	0.3
111.00906	0.6
123.04465	0.3
125.09722	2.4
127.00401	0.4
127.11284	3.9
141.12869	0.7
153.12863	1.3
155.10786	1.1
155.14417	0.5
156.89426	0.3
163.11302	0.7
169.12355	2.1
171.10300	0.7
181.12305	1.1
197.11855	2.1
199.13397	100.0
200.13766	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	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26234	0.3
59.01379	100.0
60.01721	0.9
69.37962	0.6
69.38371	1.8
74.51601	0.3
76.20116	0.3
76.36098	0.3
83.69874	0.3
115.02557	0.3
157.03558	6.2
158.03783	0.4
159.01471	2.2
201.02551	12.6
202.02673	0.7
207.21573	0.3
219.10014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
51.35558	0.3
55.89013	0.4
59.01373	1.4
63.60532	0.3
67.01914	0.4
67.02367	0.3
83.01395	0.4
83.35777	0.3
92.47269	0.4
92.99808	0.4
99.00897	1.0
99.08141	0.5
111.00868	0.6
113.02434	0.5
114.65659	0.3
141.12798	0.4
147.99823	0.3
149.97940	0.3
151.11287	0.3
155.10777	1.1
156.89478	0.5
163.11267	1.2
169.12340	7.6
181.12341	21.8
182.12714	1.0
197.11778	1.7
199.13393	100.0
199.17064	2.9
200.13751	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	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.60694	0.2
56.91525	0.2
57.03453	0.3
59.01386	0.5
61.56963	0.3
69.44537	1.7
69.44939	0.6
71.04987	0.3
78.52921	0.3
78.94042	0.3
83.05061	0.5
86.05096	0.2
113.56908	0.2
137.09732	6.7
155.10780	100.0
156.11113	4.1
181.08690	0.7
185.52451	0.3
199.09737	7.4
199.13443	0.9
199.16972	0.5
214.41443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0772
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
52.31972	0.6
55.44619	0.6
58.14093	0.6
59.01368	1.1
59.64973	0.6
61.98822	5.3
68.99801	1.3
69.03461	1.5
71.05019	1.5
71.59781	1.1
72.99311	1.2
78.95908	0.8
80.05044	0.8
81.03474	0.9
82.02984	1.1
83.01371	1.0
83.05007	1.3
85.02961	1.3
92.05054	3.1
93.07049	0.7
95.05029	1.2
96.95994	1.0
97.02924	0.7
97.06599	0.9
98.02486	1.0
99.04505	0.8
108.04560	4.0
109.06583	0.8
110.06126	3.9
111.04522	1.7
111.08158	4.2
112.04060	1.3
113.02442	1.3
114.05594	0.9
120.04575	0.9
121.05419	0.7
122.03587	2.0
122.06117	4.6
124.07684	100.0
125.08021	3.1
126.05628	0.7
127.03964	1.4
132.25642	0.7
134.06105	2.6
135.03220	0.8
136.07680	61.3
137.06065	1.0
137.08028	2.2
138.05602	1.6
139.96690	0.6
140.07167	1.5
141.33710	0.6
154.05118	2.0
154.08676	3.3
156.89510	2.1
166.05092	2.5
167.99292	0.7
168.06662	13.1
180.06662	58.7
181.06862	1.3
198.03928	1.5
198.07697	12.3
199.06145	5.0
199.09705	0.9
199.13393	1.7
199.17088	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.76563	0.5
59.01371	1.5
69.03474	2.3
69.40726	0.4
71.01386	0.5
80.96500	0.7
81.79247	0.4
83.05022	0.8
85.02954	0.7
95.01381	0.7
95.05035	0.5
97.06579	0.6
99.04528	0.5
109.02959	1.1
111.04485	0.5
112.01662	1.0
114.70090	0.4
114.77230	0.4
118.76414	0.4
121.02960	1.6
123.00902	2.7
123.08219	0.6
125.02473	0.9
125.09722	0.5
126.90527	2.0
130.99193	0.4
137.02481	0.4
137.09760	0.5
141.09193	0.7
151.11304	0.8
153.01912	0.7
153.05580	0.7
153.09230	2.4
153.12825	4.3
160.84222	2.3
162.83911	4.9
166.99884	2.2
169.12344	17.1
170.12730	0.6
176.46564	0.5
178.99892	0.5
179.10759	2.4
182.02228	4.1
196.91179	0.5
196.98395	0.5
197.04585	1.7
197.11824	100.0
197.80777	2.7
198.12204	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1546
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
53.50253	0.5
53.72879	0.6
57.03447	3.0
61.81055	0.5
62.41022	0.5
64.63461	0.5
64.82162	0.5
65.00318	0.6
69.03474	1.3
69.33366	1.0
69.33768	4.2
71.05024	1.2
80.02659	1.4
81.03460	4.3
83.05032	12.4
93.03429	1.1
94.50950	0.6
95.05025	7.0
97.06596	27.0
98.06911	0.6
109.06594	2.5
111.08163	21.5
112.08519	0.6
123.00932	0.8
123.08141	1.4
126.90533	1.4
137.09732	0.8
147.11771	3.2
149.09721	1.8
152.66783	0.6
153.12897	0.7
160.84232	1.6
162.83923	4.0
163.11290	7.9
165.12852	100.0
166.13232	4.2
182.02225	1.5
197.08054	0.6
197.11797	3.0
197.15511	2.1
197.80826	2.9
209.11829	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01376	0.7
60.00166	0.2
65.73183	0.2
69.03455	1.9
69.64176	1.3
79.03245	0.2
83.05035	1.3
85.06612	0.2
97.06581	0.4
99.16928	0.2
123.00897	0.3
123.08138	0.4
125.09680	0.4
126.90469	0.3
127.99875	0.2
137.09717	0.3
141.09215	1.3
151.11282	0.8
153.09247	1.5
153.12849	4.7
160.84262	0.5
162.83890	1.6
169.12340	18.3
170.12694	0.6
179.10767	2.2
197.11826	100.0
197.80832	1.0
198.12141	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	197.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84818	0.1
54.38080	0.1
59.01385	0.8
69.03459	1.7
70.18165	0.6
71.01395	0.4
72.10786	0.1
81.03483	0.2
83.00239	0.2
83.05014	1.1
89.52805	0.1
91.52212	0.1
95.05001	0.2
97.06586	0.4
113.43433	0.2
121.02985	0.2
123.00896	0.5
123.08181	0.5
125.09725	0.4
126.90514	0.4
135.11816	0.3
137.09724	0.2
141.09233	0.9
151.11311	0.9
153.01944	0.2
153.09216	1.7
153.12852	4.7
156.10707	0.2
160.45074	0.2
160.84216	0.7
162.83913	2.3
166.99783	0.2
169.12343	18.8
170.12682	0.8
179.10785	1.8
182.02171	0.4
197.11829	100.0
197.80786	0.9
198.12166	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	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32139	0.2
59.01377	1.3
61.98839	0.2
65.16374	0.2
69.03461	1.9
70.13898	0.4
70.14298	0.7
71.01361	0.5
73.87051	0.2
81.03503	0.3
83.01358	0.2
83.05030	1.3
83.05502	0.3
85.02946	0.2
85.06593	0.2
95.01406	0.5
97.06608	0.6
99.08138	0.4
109.02922	0.3
109.06609	0.2
111.04577	0.2
111.49317	0.2
112.01658	0.2
116.92891	0.5
121.02924	0.5
123.00886	0.9
123.08167	0.5
125.09703	0.7
126.90489	1.5
135.11804	0.2
137.09654	0.3
138.03218	0.4
141.09187	1.4
151.11285	0.9
152.68019	0.2
153.01875	0.2
153.05606	0.4
153.09235	1.7
153.12851	3.9
160.84225	2.9
162.83916	8.1
165.12851	0.8
166.99855	0.9
167.10709	0.2
169.12335	18.7
170.12700	0.6
178.99774	0.4
179.10802	1.9
182.02194	1.7
196.03897	0.2
196.89633	0.3
196.91428	0.8
197.11824	100.0
197.80791	4.8
197.82680	0.2
198.12160	3.9
198.14926	0.2
205.01488	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.05099	0.4
53.98634	0.4
57.03482	0.5
59.01388	1.0
61.98842	0.4
65.00352	0.6
69.03483	1.0
69.44799	1.2
69.45227	2.0
71.05048	0.9
75.54447	0.4
80.96523	0.5
95.01373	0.5
95.05054	0.5
97.03014	0.5
97.06597	12.7
98.06995	0.6
98.20632	0.9
99.08170	3.8
108.02196	0.5
109.02946	0.7
109.06626	0.6
111.08135	0.5
112.01699	0.4
116.92895	0.6
121.02985	1.1
122.03738	2.3
123.00876	2.2
125.02439	0.9
125.09753	0.9
126.03264	1.2
126.90485	2.5
137.02498	0.7
137.09740	1.6
138.03226	0.6
153.01912	0.8
153.12857	100.0
154.13164	3.4
160.84215	5.7
161.84338	0.5
162.83910	15.4
166.99892	1.3
169.12363	0.9
179.10777	21.4
180.11092	1.0
182.00642	0.5
182.02205	2.9
196.89508	1.1
197.02057	1.8
197.04544	1.2
197.08162	0.6
197.09955	0.8
197.11810	15.8
197.15450	1.0
197.80771	8.6
198.12184	0.5
202.29849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
58.75337	0.3
59.01365	1.2
61.98830	0.5
69.03467	1.7
71.01380	0.5
71.61294	0.3
81.03471	0.5
83.05006	1.3
85.02954	0.4
85.06627	0.3
90.63914	0.2
95.01375	0.7
97.06563	0.9
99.08186	0.4
109.02957	0.8
110.00092	0.4
111.08148	0.3
112.01653	0.6
116.92829	0.7
121.02956	0.7
122.47101	0.3
123.00839	1.6
123.04499	0.3
123.08163	0.6
125.02457	0.3
125.09721	0.5
126.90491	2.3
137.02409	0.3
137.09688	0.5
138.03226	0.4
141.09201	1.3
151.11295	0.8
153.01869	0.5
153.05566	0.6
153.09203	2.0
153.12840	3.7
160.84227	4.2
162.83905	10.7
165.12822	2.4
166.99828	0.9
167.10791	0.4
169.12335	16.7
170.12682	0.4
178.99997	0.4
179.10794	2.1
182.02191	2.9
196.89449	0.5
196.91110	0.4
197.04564	1.0
197.11823	100.0
197.80780	6.2
198.12177	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	194.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
60.59919	1.1
63.60580	1.2
71.01405	1.7
71.42932	1.4
72.01743	1.5
75.00883	6.5
78.95914	1.2
80.96537	1.4
85.02956	2.9
86.02479	45.4
87.00888	2.8
88.04059	6.3
90.04295	1.1
93.03462	14.1
97.03011	1.0
97.95808	1.1
99.00912	1.9
102.02811	1.6
105.01964	1.6
106.04243	4.9
107.05047	2.0
108.02215	1.2
118.03798	2.2
119.05029	66.7
120.05359	1.6
123.04461	1.2
129.01979	1.5
134.03764	9.2
135.04077	28.3
136.04265	1.1
148.07729	4.2
150.06453	2.3
162.04926	3.1
163.04010	100.0
164.04372	3.0
176.07166	3.5
179.03056	8.6
194.05365	6.8
194.08228	90.3
195.05128	4.2
195.08569	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	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
55.32033	0.3
61.96334	0.2
70.38399	0.9
78.93788	0.2
103.91998	0.3
109.06583	3.4
111.08159	3.4
122.03723	0.5
123.02546	0.3
125.09715	0.8
135.11829	0.5
136.04173	0.3
138.06866	0.8
150.03145	0.4
151.11281	0.6
160.84251	3.3
165.01901	0.3
167.14418	6.9
179.10777	5.3
186.95694	0.3
195.13905	100.0
195.81085	1.6
196.14240	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	194.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
60.69590	1.0
64.20275	1.0
70.75340	3.2
71.01389	3.3
72.30530	1.2
73.02938	1.1
74.03275	1.2
75.00864	10.3
84.39482	1.0
85.02953	2.6
86.02480	60.9
87.00877	3.7
88.04054	6.7
93.03460	17.7
99.00880	1.7
100.01232	1.2
105.01962	2.0
106.04250	4.8
107.05044	3.4
108.02225	1.9
110.10453	1.2
119.05025	85.3
120.05354	3.1
129.01949	3.9
147.03104	1.2
148.07683	4.5
162.04941	2.4
163.04007	98.6
164.04361	3.9
176.07172	2.1
193.99316	1.2
194.08232	100.0
195.05069	6.8
195.08559	4.1
204.27046	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0718
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
53.60206	0.9
55.01876	5.7
56.41623	0.9
57.03448	5.4
58.00602	2.2
58.94557	0.8
59.01381	19.3
67.64514	0.9
68.99821	0.9
69.03453	12.0
69.57285	5.0
69.57689	1.6
71.01382	31.5
71.04616	0.9
72.99307	4.7
73.02948	34.6
75.00873	1.6
79.01880	1.4
81.03452	2.8
83.01382	11.2
84.02185	1.9
85.02435	2.0
85.02954	38.7
86.00106	5.8
86.02480	12.7
87.00879	27.9
88.04060	1.2
89.02450	2.4
89.03960	3.7
93.03470	5.3
95.01389	6.8
97.02951	16.7
99.00887	28.7
99.67561	1.1
101.02447	45.7
106.04245	2.9
107.01401	1.5
107.05089	1.0
111.00867	4.4
112.01650	2.0
113.02464	8.0
115.03967	1.5
116.17002	0.9
117.01980	2.2
117.03478	7.0
119.05023	19.0
121.02948	3.0
123.00886	3.0
125.02444	15.2
127.04043	0.9
129.01947	1.4
133.02965	3.4
134.03745	100.0
135.04066	2.1
137.02448	7.1
139.03996	2.7
140.01152	3.8
141.01932	13.9
142.02721	1.7
143.03392	1.3
148.07727	1.2
149.06093	10.9
150.03151	1.0
155.03506	7.6
159.02985	3.2
161.04558	61.4
162.04968	2.0
163.04016	28.1
165.05550	1.2
175.06097	2.5
178.02710	24.5
179.03111	1.4
193.03540	1.6
193.05074	15.3
193.07150	41.1
194.08223	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	193.0869
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.69338	0.2
55.01878	0.6
57.03447	1.1
58.00588	0.6
59.01375	4.0
59.46039	0.2
60.11322	0.2
65.03971	0.3
68.99831	0.3
69.03457	2.7
70.31469	0.5
70.31866	0.6
71.01387	6.6
72.99314	0.9
73.02953	6.9
75.00897	0.3
79.01905	0.6
79.77669	0.2
81.03462	0.9
83.01389	2.6
85.02958	7.4
86.00105	1.1
86.02495	0.3
87.00882	5.5
89.02443	0.3
89.63805	0.2
93.03491	0.2
95.01380	1.2
97.02958	3.3
99.00880	5.8
101.02446	8.8
106.04278	0.3
107.00340	0.2
107.01396	0.3
107.05024	0.6
109.02952	0.5
111.00890	0.6
112.01701	0.3
113.02454	2.1
117.03481	0.3
119.05019	0.4
119.69823	0.3
121.02975	1.0
123.00875	0.7
124.01662	0.6
125.02448	3.2
127.04008	0.5
133.02953	1.0
134.02698	0.4
134.03749	14.6
135.04527	30.1
136.04868	1.1
137.02458	2.6
139.04034	0.8
140.01161	0.7
141.01953	2.5
142.02640	0.6
149.06065	3.2
150.03215	0.4
155.03473	1.5
159.03008	0.4
161.04567	12.4
163.04010	100.0
164.04321	3.1
175.06128	0.6
177.05522	0.4
178.02811	7.2
178.06352	59.1
179.03320	0.3
179.06738	1.8
191.05585	0.6
193.05069	3.2
193.07135	6.3
193.08719	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	193.0717
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
54.64605	1.4
55.01886	9.6
57.03440	6.8
58.00585	6.0
59.01379	39.0
68.99813	2.2
69.03460	19.2
70.10537	2.6
70.10926	4.2
71.01383	57.3
72.99297	6.3
73.02534	3.3
73.02947	58.2
75.00860	3.5
79.01901	3.8
81.03455	8.8
83.01391	23.4
84.02158	1.8
85.02954	70.6
86.00115	10.5
86.02474	24.3
87.00874	48.4
89.02438	3.8
93.03461	6.7
95.01398	12.9
97.02955	25.4
98.19974	1.9
99.00880	52.7
101.02442	69.7
106.04261	2.6
107.01417	3.4
111.00896	9.1
112.01661	3.7
113.02461	14.1
115.04011	2.0
117.01922	2.1
117.03461	2.8
117.93738	1.7
119.05026	36.4
123.00900	7.4
124.01653	2.9
125.02448	24.2
127.04036	2.3
131.03481	5.9
134.03746	43.3
137.02423	3.9
140.01170	7.0
141.01945	20.7
142.02696	4.6
148.07657	3.1
149.06055	3.7
155.03497	12.9
157.04997	1.8
159.03000	4.2
161.04553	100.0
162.04924	3.4
163.04013	44.7
175.06093	11.2
178.02670	8.9
191.05577	2.4
193.05138	5.6
193.07159	63.1
194.08241	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	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.9
59.97845	0.3
60.09240	0.3
68.19838	0.3
69.03442	0.7
69.68004	1.7
71.01370	1.4
73.02946	1.2
81.03444	0.2
81.15496	0.3
83.01383	0.7
85.02940	1.6
87.00870	1.7
89.03969	0.7
93.03445	0.9
95.01368	0.4
97.02959	0.8
99.00883	1.3
101.02431	1.9
106.04250	1.6
111.00883	0.8
117.03480	1.2
121.02952	2.2
125.02467	0.5
133.02962	6.4
134.03740	100.0
135.04059	3.2
137.02443	17.9
138.02802	0.3
139.04008	5.2
141.01945	0.3
149.02425	0.7
149.06081	19.1
150.03210	1.8
150.06438	0.7
161.04524	3.1
165.01952	0.7
178.02710	54.6
179.03049	2.0
193.05063	22.8
193.07048	1.5
194.05408	1.0
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	Unknow
Peak:m/z	Relative Intensity
54.01263	0.4
55.01881	1.7
57.03455	4.0
58.00580	0.7
59.01379	9.2
59.85895	0.3
61.76649	0.4
66.16271	0.4
67.01890	0.4
68.99830	0.5
69.03455	4.1
70.38848	1.4
70.89247	0.3
71.00989	0.7
71.01383	13.2
72.99294	1.8
73.02948	13.3
75.00861	0.4
79.01904	0.6
81.03469	1.8
83.01382	6.3
85.02951	16.2
86.00094	2.6
86.02499	0.6
87.00877	10.4
89.02468	1.0
93.03478	1.6
95.01395	3.9
97.02958	7.0
99.00886	12.6
101.02446	17.9
106.04256	1.2
107.01447	0.5
108.02199	0.4
109.02942	0.9
111.00906	2.2
112.01681	1.2
113.02441	3.8
115.04004	0.8
117.01945	0.7
117.03459	0.8
119.05027	0.8
121.02967	3.1
123.00890	1.9
124.01684	1.1
125.02455	5.7
127.04047	0.3
133.02953	6.3
133.03879	0.6
134.03743	100.0
135.04082	3.3
137.02446	17.5
138.02751	0.5
139.04008	7.1
140.01152	1.8
141.01938	5.2
142.02750	0.8
149.02480	0.4
149.06078	20.1
150.03207	1.9
150.06410	0.8
155.03522	3.1
159.03058	1.2
161.04555	23.6
162.04831	0.5
163.03989	1.0
165.01877	0.4
175.06090	1.3
178.02711	56.5
179.03052	2.2
191.05634	1.1
193.05060	23.1
193.07150	13.8
193.08722	0.6
194.05420	1.1
194.08154	0.9
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
55.01865	0.4
57.01343	0.2
57.03432	0.4
58.98983	0.2
59.01377	1.7
68.99837	0.2
69.03451	0.9
69.52908	0.3
69.53251	1.6
71.01388	2.6
72.99311	0.3
73.02947	2.5
73.09100	0.2
81.03452	0.2
83.01398	1.1
85.02952	3.4
86.00076	0.5
86.02489	0.3
87.00864	2.2
89.03971	3.6
93.03477	0.4
95.01378	0.5
97.02970	1.3
99.00889	2.1
101.02452	3.4
104.65774	0.2
106.04290	1.2
108.70528	0.2
109.02962	0.4
109.38109	0.2
111.00864	0.6
113.02464	0.6
117.03465	8.0
119.05021	0.6
121.02966	1.6
125.02447	1.1
133.02962	2.7
134.03745	100.0
135.04066	3.0
137.02452	6.9
139.04015	2.3
140.01180	0.2
141.01967	1.1
149.02451	0.3
149.06079	9.7
150.03218	0.9
150.06448	0.2
155.03539	0.6
161.04559	4.7
163.04056	0.6
165.01967	0.3
175.06154	0.3
178.02716	24.0
179.03053	1.0
188.12587	0.2
193.05072	16.5
193.07124	2.8
194.05415	0.6
194.08148	0.6
196.19151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
57.03442	3.4
59.01381	3.0
59.60474	1.4
64.92872	1.2
67.01898	1.3
69.03455	1.5
69.34648	4.1
69.35059	8.5
76.03764	1.2
81.03459	32.6
85.02956	13.8
87.00877	22.4
93.03423	1.9
93.07090	5.6
95.05037	7.3
98.19907	3.4
98.67164	1.4
107.05023	2.4
108.02176	7.5
111.00888	45.7
116.35071	1.4
120.05820	6.1
121.02975	4.7
122.03751	98.0
123.04595	11.6
129.01907	1.6
129.07106	3.3
135.08168	1.6
145.06612	4.0
145.10219	1.7
147.04538	2.3
147.08176	8.9
148.09033	2.1
161.09714	6.5
163.04105	1.6
163.11292	34.8
176.01144	6.2
188.06668	1.4
191.01958	4.0
191.03557	2.5
191.05624	5.6
191.10779	100.0
192.11148	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	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	12.6
59.01384	97.9
61.98838	91.3
70.35468	22.2
70.35815	11.6
71.01389	13.6
72.99308	17.0
73.02939	18.4
75.99827	8.1
85.02956	59.3
87.00884	55.7
91.01895	8.5
93.03462	15.9
98.20553	9.6
104.02692	14.8
111.00896	79.3
114.02162	7.7
114.96795	7.6
118.99297	24.9
119.05001	15.5
120.05525	8.7
121.02946	9.5
131.03423	10.8
134.97073	13.6
143.47856	7.6
144.86578	16.5
145.86253	66.5
147.04466	15.1
148.01677	15.0
149.89400	7.3
154.90578	9.5
163.00359	8.7
163.03958	13.2
163.87350	22.1
176.01152	100.0
190.99858	12.9
191.03699	62.1
191.05602	82.2
191.07156	16.7
191.10782	24.7
201.77034	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	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03439	0.8
59.01386	0.7
68.60426	0.3
69.37260	2.6
73.02947	0.3
77.03931	0.4
79.47730	0.3
84.94563	0.3
85.02959	3.5
87.00880	5.0
104.02664	0.3
111.00882	10.1
111.01646	0.6
119.05037	1.2
121.02954	100.0
122.03287	2.7
129.01970	0.5
147.04521	6.3
163.04066	0.7
173.00890	0.3
176.01091	1.4
190.99936	0.3
191.01958	0.8
191.03513	6.9
191.05573	1.9
191.07079	0.3
191.10722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03450	7.2
59.01370	1.0
67.01881	3.5
71.01395	0.8
71.09268	0.9
85.02952	30.9
86.03284	0.7
87.00874	52.1
88.01220	0.7
101.02428	0.9
111.00880	100.0
112.01210	2.3
112.98801	0.8
117.22253	0.4
118.18542	0.4
119.61732	0.4
129.01939	5.8
130.99867	0.9
138.11543	0.4
154.99797	0.6
173.00940	1.4
191.01974	8.1
191.05632	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.1
59.01385	1.9
62.95251	0.4
64.87158	0.4
67.01892	3.5
70.94327	0.6
70.94642	0.6
71.01399	2.0
72.99297	0.8
73.02953	0.7
81.03421	0.5
81.19340	0.5
83.05032	0.5
85.02956	44.6
86.03321	0.5
87.00880	53.0
88.01225	0.6
92.95975	0.6
93.03461	5.0
101.02462	0.5
102.37904	0.4
109.02969	1.2
111.00886	100.0
111.04529	1.1
112.01221	2.9
127.04031	3.4
129.01942	5.4
129.36803	0.4
130.99927	0.6
131.04651	0.8
133.01447	0.8
148.94937	0.6
171.03093	0.7
171.77670	0.4
173.00877	2.1
173.04506	1.3
191.02019	8.6
191.05615	61.4
192.05952	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0565
Annotation	N-Acetyl-L-glutamic acid
Peak:m/z	Relative Intensity
54.16354	0.9
55.01886	1.3
55.09659	0.9
57.03435	2.3
58.02974	14.8
59.01382	43.6
60.05799	1.0
62.48787	0.9
69.03457	2.4
70.02971	1.2
70.44656	1.6
70.44980	2.1
71.01369	2.6
71.05015	3.2
72.00907	1.5
72.04539	3.5
72.99306	7.0
73.02950	2.0
74.02487	5.3
80.05004	0.9
82.02976	4.9
83.01382	4.5
83.05037	2.4
84.00920	2.0
84.04536	3.1
85.02951	4.8
86.02480	1.7
86.06133	2.7
87.00893	2.3
87.92526	2.7
95.01428	1.2
96.04575	2.8
97.02953	2.7
98.02479	32.2
98.06126	2.5
99.00882	3.7
99.02830	2.8
100.04041	3.0
100.07692	23.0
102.05608	100.0
103.05984	1.6
108.04562	1.3
111.00892	1.7
112.04067	1.9
113.02474	2.2
114.01949	2.0
114.05606	26.3
116.03538	2.9
116.07186	7.6
117.03886	2.4
124.04054	3.9
126.01936	1.4
126.02799	1.1
126.05624	11.8
127.00387	1.7
128.03542	83.8
129.01981	2.3
129.03876	1.4
142.05109	26.6
142.08766	1.0
144.02997	4.0
144.04662	1.9
144.06664	39.1
144.10280	8.9
145.03343	5.2
146.04596	9.1
157.01434	2.3
170.04585	19.3
171.02931	2.2
188.02052	1.6
188.04056	2.0
188.05637	41.3
188.09297	8.2
188.10939	1.8
188.91281	3.7
189.03986	2.5
189.05766	1.1
189.07758	1.7
209.98650	1.1
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	Azelaic acid
Peak:m/z	Relative Intensity
55.43060	0.2
57.03453	4.0
61.42911	0.2
69.03474	0.7
71.05029	0.3
72.06316	0.2
72.74780	0.2
78.75990	0.2
83.05037	0.4
94.08470	0.2
95.05021	0.7
97.06593	13.0
98.06942	0.2
123.08170	6.4
124.08501	0.2
125.09727	100.0
126.10064	3.3
143.10771	2.2
157.04251	0.2
159.04636	0.3
161.02533	0.2
169.08675	2.1
184.14932	0.2
187.04048	0.8
187.09758	40.2
188.10071	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0354
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
59.01372	0.2
61.98831	0.1
65.99840	0.2
69.49668	0.3
69.50074	0.6
71.66763	0.1
73.46633	0.1
87.92534	0.1
95.97150	0.1
102.03477	0.6
102.82762	0.1
103.92014	0.2
116.05062	0.5
117.03455	0.2
133.02963	0.1
141.86809	0.4
144.04550	100.0
145.03096	0.2
145.04909	3.7
156.98430	0.1
159.03255	0.6
160.03934	0.1
170.88947	0.2
171.04453	0.1
188.03525	3.5
188.07109	0.2
188.09279	0.2
189.05579	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	187.0765
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
57.03436	0.8
59.01375	1.0
61.98829	2.1
64.31979	0.3
68.99850	0.3
71.01373	1.0
71.62509	0.4
72.99315	0.3
73.83673	0.3
87.92521	0.5
91.82587	0.3
96.99321	0.6
97.06593	1.1
122.89570	0.3
123.08200	0.7
124.98817	0.4
125.06063	0.5
125.08794	0.5
125.09728	10.6
126.10036	0.6
127.00415	0.3
141.86819	6.0
143.05055	0.6
144.04663	0.4
144.05794	0.4
159.04515	0.4
159.08112	0.4
159.87889	3.3
168.88930	0.6
172.05307	21.4
173.05669	1.4
186.03352	0.4
187.04172	4.7
187.07643	100.0
187.09592	4.8
187.13332	1.1
187.86064	0.5
188.07996	4.6
204.04262	6.4
205.04616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0559
Annotation	Indoleacrylic acid
Peak:m/z	Relative Intensity
51.07814	0.2
61.61646	0.1
69.53117	0.1
71.61380	0.2
75.29464	0.2
84.08192	0.2
92.28486	0.2
110.10626	0.1
114.09258	0.4
116.05060	1.6
116.92883	0.1
122.71265	0.1
125.09720	0.4
136.72813	0.2
138.05504	0.2
140.05057	0.4
142.06621	100.0
143.06975	3.3
158.06143	0.5
159.04553	0.2
185.47168	0.2
186.05606	2.2
186.11205	0.2
187.03903	0.3
187.06059	0.2
187.07677	0.2
187.09784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01377	83.3
60.01711	0.7
61.98830	6.3
69.27705	5.0
70.37056	0.4
83.05033	0.5
85.35925	0.5
90.97112	0.9
97.06559	0.7
101.00989	0.5
102.98910	0.6
114.98882	2.0
115.02501	4.6
117.00446	10.0
123.08186	0.7
125.09719	6.8
127.87080	0.6
132.98256	0.6
141.86836	3.4
142.89433	1.6
143.01996	2.0
144.99890	2.0
159.01489	100.0
159.87866	1.6
160.01627	5.4
168.88870	1.2
168.99951	0.5
180.77467	0.5
186.86353	0.8
186.95601	0.7
187.00964	13.1
187.03903	0.7
187.07899	0.8
187.09767	4.2
187.13371	1.5
188.01096	0.7
188.03421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0248
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
57.03405	1.7
58.00555	0.7
58.02959	0.5
59.01374	4.2
65.00312	0.5
67.01895	8.4
68.99786	1.8
69.03391	0.5
71.01385	2.4
71.05025	2.8
71.60912	0.8
72.99304	2.2
73.02950	18.0
73.04072	9.2
74.02465	0.9
77.15936	0.4
81.03419	1.4
83.01376	1.7
83.04992	1.8
85.02924	1.9
85.06573	1.1
87.00848	0.9
87.92529	0.6
90.97160	0.4
95.05032	0.9
97.02914	1.1
97.06603	4.6
97.80070	0.4
98.02467	1.0
98.89838	0.8
99.00875	3.0
99.04527	7.8
99.08149	1.3
102.05598	0.6
103.92023	0.5
111.00883	100.0
112.01217	2.3
113.02425	0.5
113.04399	0.5
113.06065	1.5
114.09307	0.7
115.04008	3.8
116.03513	1.1
116.07161	2.2
116.92857	0.6
117.03438	0.4
121.06536	0.4
123.08175	0.9
123.94604	0.6
125.02462	0.6
125.06084	15.0
125.09721	10.1
126.10081	0.5
127.00410	1.1
127.04023	0.8
130.08740	26.3
131.03740	0.4
141.05608	0.5
143.03506	12.8
143.07138	5.9
143.11897	15.2
144.03001	0.5
144.04587	2.6
144.10364	0.7
144.12294	0.5
145.07098	0.4
153.21339	0.4
154.99864	1.4
159.04463	2.5
168.88972	1.6
169.05061	4.6
172.05292	0.6
178.10669	0.5
186.90031	0.9
186.95695	0.5
187.02547	1.2
187.04114	3.4
187.06219	9.2
187.07681	1.4
187.09801	2.1
187.11018	15.9
187.13528	1.2
188.03534	0.5
188.07042	0.5
188.09291	0.7
188.11386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.38144	0.2
76.71365	0.2
83.19202	0.2
86.17773	0.2
101.99814	0.2
157.34460	0.2
165.12848	0.2
183.13896	100.0
184.14261	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	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
51.83079	0.2
59.01362	0.3
71.31866	0.4
72.37161	0.2
94.18836	0.2
111.00903	0.3
111.08196	0.2
148.43776	0.1
149.07436	0.2
157.51515	0.1
168.00708	0.2
183.13895	100.0
184.14230	3.5
199.44597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1183
Annotation	Epomediol
Peak:m/z	Relative Intensity
57.03449	0.9
57.81300	0.7
57.94030	0.6
59.01378	35.6
65.28156	0.5
70.38733	1.2
71.01379	4.8
71.05032	5.8
77.94578	0.6
83.04993	0.6
87.04508	0.7
89.46669	0.5
97.02955	0.8
110.82264	0.6
111.08146	1.1
115.04008	100.0
116.04358	2.4
120.80429	0.6
121.76700	0.6
122.98101	0.6
139.11308	1.4
141.09212	1.5
154.23979	0.6
167.10771	16.5
183.10269	3.7
185.00772	0.7
185.11823	87.9
186.12173	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	183.1388
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01350	0.5
69.48743	3.1
84.57673	0.4
94.67776	0.4
111.00928	0.4
116.77210	0.4
132.31833	0.4
132.79196	0.4
154.65997	0.4
183.00464	0.7
183.03104	0.5
183.13905	100.0
184.14244	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	183.139
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
53.62237	0.2
57.03439	0.3
59.01363	0.5
65.00333	0.3
67.01891	0.4
69.35674	1.3
69.36077	0.3
70.98756	0.2
71.01381	0.2
74.69452	0.2
79.05521	0.4
82.84864	0.2
83.05032	0.2
91.08764	0.2
95.01392	0.3
95.05032	0.2
97.02915	0.2
109.02955	0.3
111.00888	0.7
111.04483	0.3
112.04041	0.3
112.98579	0.2
124.98805	0.3
137.02341	0.2
139.00359	0.5
139.03990	0.3
139.11278	0.2
140.07158	0.3
151.00334	0.2
152.98296	0.5
164.98314	0.2
165.01932	0.4
168.00635	0.7
183.00549	0.4
183.02992	0.5
183.13896	100.0
184.06061	0.4
184.14227	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1027
Annotation	(3R)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
50.51070	0.3
57.03453	1.6
59.01384	1.2
65.00331	0.6
67.01892	0.9
69.03455	4.1
69.57793	2.6
79.15774	0.4
80.02690	0.7
81.03466	0.7
81.30139	0.3
83.01395	0.4
83.05021	4.1
85.02963	0.6
85.06592	8.9
92.99819	0.4
95.01397	0.8
95.05039	1.9
97.06593	11.1
98.02469	0.5
98.19769	0.6
109.02972	0.8
111.00892	1.9
111.04540	0.4
111.08126	1.7
112.04095	0.4
112.98572	0.7
118.39024	0.4
123.08173	4.0
124.01679	0.7
124.98822	0.6
137.02419	0.7
137.09731	1.6
139.00366	1.2
139.11292	100.0
140.01129	0.3
140.07135	0.7
140.11653	3.3
152.98273	1.8
160.65675	0.3
164.98276	1.0
165.01910	1.2
165.09192	1.1
168.00682	1.8
169.47145	0.3
182.85818	0.4
183.00447	1.1
183.02968	1.4
183.06601	0.9
183.10300	6.2
183.13890	17.2
184.06064	0.4
184.14388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1026
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
50.79723	8.7
57.03448	10.3
59.01389	9.9
68.99552	10.5
79.05527	18.2
83.05017	15.1
83.76164	9.4
95.86039	10.3
98.19864	24.9
99.04546	13.4
111.00883	12.5
118.44675	9.5
121.10233	26.4
124.01637	9.9
139.11307	18.3
165.09142	19.4
166.48277	9.7
169.15092	9.1
183.02956	10.5
183.10272	100.0
183.13896	18.6
188.75891	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	183.0663
Annotation	Antiarol
Peak:m/z	Relative Intensity
55.01879	0.9
55.56271	0.7
57.03440	1.1
59.01388	2.9
62.90875	0.6
65.00320	0.6
67.01882	4.3
68.99823	0.9
69.03458	3.8
69.34645	4.8
71.01404	1.4
81.03465	2.3
83.01395	2.5
83.05032	1.6
93.03461	1.1
95.01400	3.0
95.04989	0.8
97.02954	6.3
99.00889	1.2
99.04507	0.9
102.69492	0.8
107.01408	3.0
107.05007	2.0
108.02200	1.1
109.02965	1.5
111.00891	5.0
112.04050	3.8
120.02177	1.1
121.02954	9.1
122.03741	15.6
123.00897	3.5
123.04546	3.6
124.01684	2.0
124.04014	3.0
124.98859	1.1
125.02457	15.3
135.00887	9.1
135.04507	2.4
136.05316	1.5
137.02397	0.8
138.03246	2.3
139.00383	1.3
139.04036	1.1
139.07674	1.8
139.11307	0.8
140.07150	1.6
149.02434	5.1
150.03229	20.0
151.00415	1.1
152.98289	2.6
153.01936	95.7
153.05556	31.5
154.02301	2.7
154.05945	0.7
164.98326	0.9
165.01921	0.8
165.05554	2.1
168.00580	2.9
168.04276	97.5
169.04605	3.3
179.03474	1.0
181.42667	0.6
183.06615	100.0
184.05972	1.5
184.07057	2.1
194.73557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1233
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
57.03441	2.7
58.00599	0.6
59.01372	4.9
61.98814	2.5
65.00325	2.8
69.03459	3.5
69.50429	3.9
71.01383	7.5
71.05021	2.7
73.02940	2.6
80.02698	0.8
80.20531	0.6
81.03452	1.3
83.05025	1.8
84.02169	2.9
85.02961	1.4
87.00883	0.6
89.02449	3.8
93.03466	6.3
95.01402	0.7
95.05016	1.6
96.96025	1.3
97.02946	3.8
97.06591	2.5
98.03703	1.4
99.04478	0.8
99.14159	0.6
99.92556	0.8
101.02444	4.8
108.02186	0.8
109.02959	2.0
109.06580	1.1
111.00792	0.5
121.02987	0.5
121.06604	0.8
123.00887	1.4
123.08173	2.0
125.09724	15.2
135.08141	0.7
136.98840	1.5
137.02400	2.8
137.06012	1.2
137.09822	0.9
139.03911	0.7
145.10222	1.0
151.00404	4.2
151.11296	4.4
153.01918	1.3
153.05583	0.6
153.12852	12.8
161.09738	1.9
163.03931	0.9
163.11298	13.3
164.11598	0.9
166.02745	6.1
167.03035	0.7
179.10783	13.0
180.11211	1.0
180.84183	2.5
180.85989	1.7
181.01466	2.3
181.05089	2.0
181.07278	4.7
181.12350	100.0
182.12677	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	181.1235
Annotation	1-Methoxy-3-myodesertene
Peak:m/z	Relative Intensity
55.01883	1.0
56.05796	0.6
57.03449	3.6
59.01377	7.6
61.98828	5.6
65.00326	4.4
69.03461	3.2
70.18703	1.4
70.19090	1.5
71.01385	10.1
71.05024	2.5
73.02950	6.8
81.03442	2.0
82.44227	0.7
83.01395	1.0
83.05044	3.1
84.02178	6.9
85.02947	3.1
87.00861	0.8
87.04542	0.9
89.02462	4.7
92.99840	0.7
93.03461	9.5
95.01419	1.0
95.05031	2.1
96.96002	3.5
97.02940	2.7
97.06584	3.1
98.03743	1.9
98.19993	0.9
99.92571	1.2
101.02434	5.7
106.04253	0.9
107.05034	0.9
108.02131	0.8
109.02956	3.8
109.06575	1.5
113.02477	0.7
115.78774	0.7
119.03524	1.3
123.00890	2.4
123.04541	0.9
123.08192	1.1
125.09736	11.8
129.56891	0.7
135.04515	0.9
135.08195	1.4
136.98792	2.1
137.02452	3.6
137.06078	1.6
137.09723	2.5
137.88931	0.7
138.02019	0.6
138.03197	1.0
145.10208	3.2
151.00369	8.8
151.11290	8.8
153.12863	16.3
154.13165	1.0
155.78027	0.8
161.09764	5.4
162.10063	0.8
163.04044	0.8
163.11310	16.6
163.12656	0.8
164.11606	0.7
166.02711	10.2
179.10777	32.7
180.11172	1.0
180.84166	3.1
180.85713	1.2
181.01503	3.6
181.03706	0.8
181.05075	4.5
181.07222	5.9
181.12347	100.0
182.12691	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	181.0871
Annotation	Dihydroconiferyl alcohol
Peak:m/z	Relative Intensity
50.61559	1.2
57.03459	0.9
59.01379	10.4
65.00315	3.7
66.03458	1.1
69.03453	2.6
69.63377	2.6
69.63786	3.8
71.01112	0.8
71.01388	9.2
73.02930	3.0
76.72948	0.9
80.96515	1.0
81.03461	2.1
83.01372	3.4
83.05016	1.8
85.02948	14.0
89.02448	5.4
93.03459	12.0
94.02986	1.1
95.01363	3.6
95.05010	3.3
97.02937	6.6
99.04516	11.7
101.02431	5.5
107.05031	1.5
108.02142	1.9
109.02963	7.2
109.06573	1.7
111.04500	2.8
111.08121	1.4
119.05039	1.3
121.02944	5.6
121.06573	3.6
122.03723	4.3
123.00901	13.3
123.04527	18.1
125.02402	3.4
133.03047	1.0
133.06631	1.6
135.04517	4.5
135.08150	1.2
136.01601	1.2
136.05305	25.9
136.98857	1.0
137.02486	6.8
137.05086	1.6
137.06085	18.7
137.09680	3.7
138.03133	1.2
138.05591	1.3
138.09166	1.2
139.03998	1.3
139.07646	2.3
141.05536	2.0
148.05307	17.4
149.02461	1.8
149.06012	3.0
150.03151	2.3
150.06863	53.7
151.00371	64.3
151.03947	1.8
151.07648	35.2
152.07939	1.7
153.01912	1.8
153.05539	2.2
162.06844	18.4
163.07649	100.0
164.07932	3.3
165.00151	9.3
165.05568	20.0
166.00975	9.1
166.02705	84.2
167.03090	2.3
177.05495	2.1
179.07091	2.8
181.01387	3.9
181.03593	1.0
181.05083	20.1
181.07126	6.0
181.08670	37.2
181.12233	1.5
181.73663	1.2
182.04582	1.9
182.07999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0869
Annotation	1-Hydroxy-4-oxahomoadamantan-5-one
Peak:m/z	Relative Intensity
57.03448	0.3
59.01379	0.6
67.90806	0.2
69.49648	1.2
71.01381	0.6
81.03468	0.2
86.15549	0.2
89.02439	0.4
93.03463	1.0
95.05006	0.2
98.20606	0.4
101.02430	0.5
108.02167	1.8
109.02959	1.4
109.06593	0.3
111.04527	1.3
119.05041	0.5
121.02955	1.1
122.03742	24.4
123.00894	0.3
123.04047	0.5
124.01676	2.2
129.83513	0.2
135.04510	1.2
136.01631	0.4
137.02448	4.5
137.05084	0.3
137.06068	4.0
137.09755	0.3
149.69766	0.2
151.00377	2.2
153.01964	0.5
154.02727	4.0
155.02898	0.2
163.07640	0.9
166.02719	2.9
179.07150	0.2
181.08701	100.0
182.07529	0.3
182.09021	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	181.0507
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
50.09846	0.3
59.01387	0.8
65.00323	0.4
67.01894	0.8
71.01394	0.9
71.30248	0.4
73.02981	0.5
85.02959	0.4
89.02450	0.3
93.03473	1.3
95.01405	1.1
96.96070	0.3
101.02470	0.8
107.35304	0.3
109.02958	0.7
119.05031	0.4
121.02938	0.4
123.00884	17.2
123.03275	1.1
124.01249	0.3
135.04489	0.4
136.01564	0.3
136.54227	0.3
136.98787	0.4
137.02420	1.1
137.05084	0.4
137.06107	0.7
138.05618	1.5
141.01875	0.3
151.00369	84.2
152.00694	2.8
153.05539	0.3
161.34872	0.3
163.03967	0.4
165.01926	2.3
165.55505	0.3
166.02713	100.0
167.03049	3.5
181.05067	14.7
181.08537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0562
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
55.01862	0.7
57.03440	0.5
58.00587	1.0
59.01381	17.3
68.99813	0.6
69.03442	1.2
71.01384	10.5
71.05021	3.2
71.26553	0.8
72.99308	11.0
73.02542	0.6
73.02949	9.5
75.00874	100.0
76.01207	1.0
78.61754	0.5
81.03458	4.9
83.01389	1.1
84.02164	0.6
85.02953	5.6
87.00877	20.0
88.01197	0.5
89.02455	6.0
97.02949	2.1
99.00882	6.6
99.04530	2.4
101.02437	1.9
113.02461	1.1
117.01950	2.9
125.02467	3.8
129.01988	0.5
131.03494	1.7
133.05074	0.4
141.01952	0.6
142.78705	0.5
143.03502	9.1
157.36725	0.4
159.02980	0.9
161.04564	17.7
177.04039	0.6
179.05611	55.5
180.05934	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	180.0666
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
59.01352	2.3
59.33200	0.7
65.00293	0.8
66.03464	1.1
67.01855	0.7
69.43703	1.5
69.44127	3.3
71.01357	2.3
72.01706	0.9
73.02917	0.8
81.03431	1.3
83.05022	0.9
87.00846	1.8
88.01178	1.2
89.02444	1.0
92.05014	0.7
93.03460	5.5
93.07073	1.3
94.02984	3.7
95.05045	3.9
101.02435	0.7
108.04561	5.6
108.05252	1.2
108.08104	0.7
109.02935	2.0
118.06640	1.0
119.03497	0.6
119.05002	1.3
120.04523	3.3
121.02963	2.4
121.05370	5.1
122.06123	1.0
123.00879	1.3
123.04543	1.3
124.03983	0.9
125.02507	0.8
134.06131	8.3
135.03247	2.2
135.04588	4.1
136.04050	1.5
136.04866	25.7
136.07681	100.0
137.02493	3.0
137.05074	0.6
137.06116	1.3
137.08025	3.2
137.09729	2.7
138.05627	0.7
150.05681	1.4
150.06813	1.4
151.00371	6.4
151.03963	0.9
152.03510	1.1
162.04860	1.2
163.04063	0.7
163.07697	1.5
165.01723	1.3
165.05228	0.7
166.02724	10.8
180.04097	5.8
180.06680	22.1
180.84224	0.6
181.01424	1.8
181.05078	2.8
181.07135	1.8
181.08691	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19455	0.1
55.01869	0.2
57.03442	0.2
59.01382	0.9
59.94595	0.1
63.02382	0.2
65.00329	0.1
68.75921	0.1
69.03450	0.3
70.94753	0.2
70.95075	0.2
71.01386	1.5
73.02943	0.4
75.00880	0.3
76.15135	0.1
79.01895	0.1
81.03458	0.3
83.01387	0.4
85.02950	1.1
87.00876	4.2
88.01218	0.2
89.02435	0.3
89.03967	0.3
91.05533	0.5
93.03465	0.3
94.03011	0.2
95.01360	0.3
97.02953	0.5
99.00878	0.9
101.02454	0.4
102.42836	0.1
106.04238	0.3
107.01386	0.2
107.04366	0.2
107.05034	2.0
108.02206	0.2
109.02965	0.3
110.30038	0.1
113.02424	0.2
117.01949	0.8
117.03478	0.8
121.02946	0.4
123.04532	0.3
125.02418	0.7
133.03023	0.1
134.03749	7.1
135.04526	100.0
136.01602	0.2
136.04843	3.8
136.07663	0.2
137.02486	0.2
141.01917	0.5
151.00325	0.4
151.03941	0.2
151.07657	0.2
159.02950	0.2
161.04555	2.3
164.01163	0.8
164.04843	0.4
179.00046	0.4
179.03510	14.5
179.05588	2.4
179.07019	0.3
179.10725	0.2
179.92444	0.5
180.03845	0.5
180.06468	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	179.0348
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.93246	0.2
54.13811	0.1
57.51347	0.1
59.01381	0.6
63.02408	0.2
64.68044	0.1
68.47856	0.1
69.03454	0.2
70.06323	0.2
70.06744	0.6
71.01378	1.3
73.02938	0.3
75.00889	0.2
79.05577	0.1
79.08768	0.1
83.01388	0.3
85.02941	0.8
87.00883	3.1
89.02474	0.3
89.03987	0.5
89.54692	0.1
91.05545	0.5
93.03469	0.4
97.02954	0.2
98.20544	0.2
99.00887	0.9
101.02460	0.4
106.04278	0.3
107.01389	0.2
107.05035	1.9
108.02165	0.3
109.02957	0.2
113.02500	0.2
117.01924	0.4
117.03480	0.5
119.01367	0.2
121.02941	0.4
125.02453	0.5
133.02998	0.2
134.02710	0.2
134.03757	6.1
135.04527	100.0
136.04857	3.8
141.01930	0.3
151.00418	0.3
161.04552	1.7
164.01173	0.5
164.04764	0.3
179.03496	16.1
179.05585	1.9
179.10722	0.2
180.03842	0.5
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	Caffeic acid
Peak:m/z	Relative Intensity
57.03465	0.3
59.01368	0.3
70.09239	1.1
87.00890	1.4
88.24339	0.3
89.03978	0.5
91.05531	0.8
103.64498	0.3
106.04240	0.6
107.05030	2.2
117.03458	1.0
117.71762	0.3
119.33932	0.3
134.03738	9.0
135.04527	100.0
136.04842	3.4
161.04494	0.6
164.01169	0.4
179.03490	16.0
180.03772	0.5
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	Caffeic acid
Peak:m/z	Relative Intensity
50.46577	0.1
59.01386	0.9
65.00302	0.2
69.03453	0.2
71.01381	1.0
73.02943	0.2
75.00873	0.2
79.96226	0.2
83.01376	0.3
85.02957	0.6
87.00877	3.7
89.02444	0.2
89.03963	0.4
91.05540	0.5
93.03458	0.2
97.02968	0.4
99.00862	0.8
101.02454	0.4
106.04198	0.2
107.01372	0.3
107.05053	1.9
108.02148	0.2
109.02955	0.3
117.01915	0.8
117.03472	0.5
121.03002	0.3
125.02435	0.5
129.01956	0.2
131.35356	0.1
133.02954	0.2
134.03749	7.1
135.04527	100.0
136.01666	0.2
136.04852	3.6
141.01952	0.3
149.02502	0.2
151.00352	0.3
151.03925	0.2
158.27254	0.2
161.04541	1.8
164.01180	0.6
164.04776	0.3
179.03500	15.5
179.05580	1.9
180.03912	0.4
184.23860	0.2
193.48369	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	179.0349
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.84798	0.1
57.03435	0.2
59.01380	0.9
63.02404	0.2
65.00319	0.2
69.03452	0.4
71.01379	1.5
71.62968	0.2
72.99298	0.2
73.02948	0.6
75.00857	0.2
81.03439	0.2
83.01378	0.6
85.02953	1.1
87.00871	5.2
89.02438	0.3
89.03956	0.4
91.01860	0.2
91.05539	0.6
93.03458	0.4
94.03008	0.2
94.78343	0.1
95.05042	0.2
97.02951	0.4
99.00880	1.5
101.02453	0.7
101.75021	0.1
106.04259	0.4
107.01387	0.5
107.05021	1.9
108.02192	0.3
109.02932	0.3
111.00922	0.1
116.06571	0.1
117.01936	1.1
117.03480	0.7
120.34599	0.1
120.43879	0.1
121.02926	0.3
125.02473	0.7
129.01871	0.2
129.48174	0.1
134.03754	6.6
135.04521	100.0
136.04846	3.4
137.02448	0.2
141.01926	0.6
146.03770	0.2
151.00348	0.4
151.04007	0.3
159.02985	0.2
161.04553	3.0
164.01141	0.8
164.04773	0.4
178.99965	0.5
179.03505	16.1
179.05586	2.7
179.06995	0.4
179.10762	0.3
180.03845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
59.01387	0.8
63.49218	0.2
69.79840	0.3
69.80240	0.6
71.01392	0.9
75.00887	0.4
79.05538	0.2
80.96516	0.2
85.02959	0.5
87.00881	2.3
89.02442	0.3
89.03983	0.4
91.05538	0.6
93.03510	0.2
97.02953	0.3
98.19991	0.3
99.00893	0.4
101.02457	0.2
106.04253	0.3
107.05035	1.9
108.02168	0.3
109.02961	0.3
117.01948	0.7
117.03480	0.7
125.02438	0.5
134.02721	0.2
134.03752	6.3
135.04527	100.0
136.01624	0.2
136.04851	3.6
136.07664	0.3
141.01888	0.2
151.04018	0.2
151.07701	0.2
159.03061	0.2
161.04543	1.3
164.01163	0.4
179.03496	15.6
179.05574	1.3
180.03947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
62.38069	0.1
65.33568	0.2
65.79215	0.1
69.96858	0.6
71.01396	0.3
79.05543	0.2
80.41868	0.1
86.69982	0.1
87.00890	0.4
87.59409	0.2
89.03944	0.3
91.05548	0.4
93.03516	0.2
98.19912	0.2
106.04244	0.3
107.05029	1.5
109.02985	0.2
116.69645	0.1
117.03394	0.7
129.22304	0.1
129.51204	0.2
129.89319	0.1
134.03752	5.8
135.04530	100.0
136.04852	3.8
141.41333	0.2
156.47806	0.1
161.04541	0.2
179.03499	14.4
180.03857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.01894	0.2
59.01378	0.6
69.03442	0.2
71.01389	0.8
73.02930	0.3
73.52690	0.2
75.00883	0.8
79.05478	0.2
80.75854	0.1
81.03438	0.2
83.01377	0.2
83.63491	0.2
85.02918	0.3
87.00880	2.1
87.95959	0.1
89.02464	0.3
89.03974	0.3
91.05522	0.5
93.03452	0.5
97.02972	0.3
99.00895	0.6
101.02474	0.2
102.47470	0.2
106.04259	0.5
107.01376	0.2
107.05019	1.9
108.02209	0.3
108.05393	0.2
109.02951	0.3
117.01949	0.4
117.03475	0.7
121.02969	0.6
125.02465	0.3
134.03746	6.6
134.62616	0.2
135.04523	100.0
136.04851	3.8
146.03731	0.3
149.02452	0.2
151.00320	0.2
151.03995	0.4
159.41452	0.2
161.04546	1.2
164.01141	0.7
164.04807	0.7
179.03503	15.4
179.05557	1.4
179.07048	0.4
180.03889	0.4
193.01038	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35126	0.1
59.01398	0.3
61.98825	0.3
66.12351	0.2
69.97287	0.7
73.38666	0.2
78.52760	0.1
79.95731	0.2
81.78280	0.2
82.32474	0.2
83.25459	0.1
87.00896	0.3
90.17751	0.2
93.94368	0.2
112.11042	0.1
119.93762	0.7
122.05041	0.2
134.96098	24.3
135.96165	1.2
136.94016	100.0
137.94093	5.3
138.94423	0.2
151.92725	14.1
152.92798	0.7
154.95055	0.5
164.01082	0.2
178.95068	53.1
179.95186	3.0
192.04005	0.2
196.96130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.64157	0.1
55.01871	0.2
57.03445	0.3
58.00597	0.3
59.01382	3.7
60.14198	0.2
62.74342	0.2
63.07705	0.2
63.80943	0.2
69.03439	0.5
71.00997	0.2
71.01401	2.8
71.01804	0.3
71.05021	0.5
72.99316	1.8
73.02946	1.9
75.00875	14.3
78.95900	0.3
81.03474	1.2
81.03890	0.2
83.01386	0.6
85.02945	2.0
87.00879	8.2
87.01427	0.4
89.02436	1.1
89.03967	0.3
91.05542	0.6
95.01383	0.3
97.02937	0.8
99.00887	2.1
99.04533	0.4
101.02452	0.8
102.67722	0.2
106.04256	0.3
107.05038	1.8
108.02148	0.3
113.02454	0.3
117.01931	1.1
117.03465	0.6
125.02421	1.3
129.55119	0.2
131.03513	0.3
134.03748	6.9
135.04526	100.0
135.35027	0.2
136.01630	0.2
136.04860	3.1
136.07622	0.4
139.93567	0.2
141.01947	0.6
143.03499	1.8
159.03052	0.3
161.04544	4.9
164.01131	0.3
177.04034	0.3
179.03519	15.9
179.05612	11.4
180.03853	0.7
180.05791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33490	0.2
59.01379	0.8
68.99808	0.3
69.67859	1.0
69.68269	0.6
71.01370	0.7
72.99330	0.4
75.00866	0.3
77.03976	1.3
81.03449	2.0
89.03971	9.6
90.04289	0.4
93.03459	4.6
95.05045	2.2
105.03460	16.9
107.01389	0.7
107.05038	0.3
109.02913	0.4
117.03448	0.3
119.05022	1.3
119.23187	0.2
121.02962	2.2
123.04508	0.6
129.01936	0.3
131.05040	1.3
132.02188	0.3
133.02959	34.1
133.06595	1.3
134.03378	1.0
135.04478	0.3
137.02521	0.3
139.04025	0.8
147.04541	1.7
148.04012	0.5
149.02444	3.9
149.06136	1.3
156.98807	0.3
158.03944	0.2
159.04543	0.6
162.03200	3.3
177.01929	100.0
178.02293	4.0
178.04997	0.3
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	Esculetin
Peak:m/z	Relative Intensity
53.10761	0.2
59.01375	1.0
63.02409	0.7
65.00307	0.4
68.99823	0.4
71.01389	0.8
71.61657	0.3
72.99291	0.3
73.24295	0.2
75.00858	0.4
77.03965	2.0
81.03466	2.2
83.07992	0.2
85.02961	0.6
89.02440	0.3
89.03974	9.9
90.04332	0.4
91.01911	0.4
93.03458	3.0
95.05032	4.0
97.02975	0.3
105.03463	20.9
106.03748	0.3
107.01403	1.0
108.04568	0.3
109.02968	0.8
115.03997	0.3
119.05030	0.3
120.69566	0.3
121.01185	0.3
121.02943	1.9
123.04538	1.3
131.05020	0.6
132.02164	0.5
133.02960	43.2
133.06607	0.8
134.03635	1.7
135.00885	1.4
135.04500	0.3
137.02454	0.6
139.04042	0.8
145.02957	0.4
147.04529	0.7
148.05296	0.2
149.00633	0.3
149.02440	4.0
149.06139	1.2
150.03328	0.2
151.00345	0.4
162.03239	4.1
163.48079	0.2
168.19759	0.2
177.01930	100.0
177.09132	0.8
178.00958	0.3
178.02319	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	175.0248
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
57.03452	6.0
59.01092	6.1
59.01377	100.0
68.99813	11.3
69.03448	13.0
70.73230	11.1
71.01383	72.5
71.05022	6.7
71.05418	3.5
72.00887	16.9
72.99298	16.4
73.02943	16.5
75.00883	10.2
77.36887	3.5
79.90317	3.7
83.01373	8.7
85.02932	14.9
85.06594	15.9
87.00877	66.6
87.04514	6.7
89.03568	55.1
91.19402	4.5
96.99314	7.2
99.00872	11.5
100.98806	72.1
101.02432	7.8
111.04455	8.2
113.02458	6.1
113.06065	21.2
113.71948	3.6
115.00369	63.5
115.03984	15.2
117.01945	7.4
124.98807	23.2
127.97515	53.3
128.97882	5.1
129.01918	4.7
131.03566	4.3
131.05048	4.0
131.07140	11.7
132.04146	11.1
132.98175	12.6
133.01688	4.2
133.02884	3.7
133.08684	9.1
136.01846	3.7
137.75478	3.8
142.99832	10.9
145.00232	4.5
147.04480	9.3
148.04018	8.3
148.98643	6.2
157.01418	5.6
157.05029	17.6
174.88971	10.8
174.99101	5.1
175.02437	10.9
175.03958	12.1
175.06158	34.6
176.03543	21.9
176.07089	8.1
194.73657	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	175.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
59.02498	0.5
61.79904	0.3
67.67828	0.3
70.96204	0.7
71.01371	0.7
71.02505	0.5
72.00910	23.2
74.00776	0.3
85.02940	0.3
87.00876	2.1
89.03571	100.0
90.03315	0.4
90.03888	0.8
113.02431	0.4
115.00397	1.2
115.01486	5.1
119.95261	0.5
123.29218	0.3
132.04155	19.9
167.59685	0.3
174.82835	9.0
175.02469	0.5
175.82770	0.4
181.72836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0472
Annotation	Allantoate
Peak:m/z	Relative Intensity
51.83983	0.4
54.71391	0.4
55.01887	0.5
57.03430	1.8
58.02963	0.5
59.01371	4.0
66.00760	0.5
68.99811	1.4
69.03455	2.0
69.89229	1.3
69.89627	1.2
70.02989	0.7
71.01379	6.2
72.00905	24.0
72.99309	6.8
73.02948	4.8
74.02480	0.7
75.00854	0.5
77.04411	0.5
83.01397	2.0
85.02946	7.5
86.02494	0.6
87.00870	9.0
88.04046	0.7
89.03565	100.0
90.03281	0.5
90.03880	0.8
93.25858	0.4
95.01391	1.3
97.02944	0.6
98.20511	0.9
99.00877	3.9
101.02448	1.4
111.00861	1.3
113.02443	4.4
114.01974	2.4
115.00367	2.2
115.01498	4.9
115.04013	1.3
117.34888	0.5
127.00353	0.9
129.01961	0.8
131.03496	1.3
132.03094	1.2
132.04138	18.9
132.08586	1.5
157.01453	1.3
157.06158	1.3
158.04625	0.6
174.82825	1.6
175.02496	1.1
175.06105	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	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
50.38675	0.7
53.00305	2.5
55.01879	7.9
57.03456	5.8
58.02969	1.3
59.01383	10.3
67.01888	5.4
68.99824	5.4
70.75660	1.1
70.76015	1.9
71.01382	100.0
71.05018	9.7
72.01714	2.4
72.99310	9.0
73.02939	7.8
74.02495	1.0
80.99793	3.0
81.03444	1.0
83.01388	11.1
83.05020	2.4
85.02950	20.5
85.06150	0.8
85.06583	5.2
87.00869	8.9
87.05611	0.8
88.04040	2.9
93.03442	3.2
96.99306	5.7
99.00883	31.7
99.04518	6.9
99.82469	0.7
101.02422	1.3
102.05618	0.9
111.00880	46.1
111.04517	8.3
112.01186	1.3
112.98811	42.6
114.99651	0.8
115.00388	5.6
124.98803	33.1
127.03993	2.1
129.01917	3.6
129.05577	7.9
129.10352	1.5
130.05098	1.4
131.08249	12.2
132.08603	1.0
140.98285	2.8
141.57332	0.7
142.99857	81.9
144.00195	2.6
145.05139	1.0
154.99837	3.3
155.03503	4.1
173.00932	10.1
173.04529	15.9
173.06030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00303	2.5
55.01881	6.5
57.03438	3.4
58.02967	1.8
59.01377	6.3
66.84978	0.9
67.01894	3.1
68.99835	4.4
70.44946	3.2
71.01385	100.0
71.05006	2.0
72.01722	0.9
72.99323	4.9
73.02942	4.1
74.02481	2.1
80.99826	2.1
83.01394	6.5
83.05056	1.0
85.02953	7.7
85.06567	1.5
86.06152	1.5
87.00880	6.5
87.05641	1.3
93.03450	2.6
93.71705	0.9
96.99316	5.4
99.00887	34.0
99.04516	2.1
100.01254	1.0
101.02467	1.6
111.00884	21.9
111.04454	1.2
112.04074	0.8
112.98813	34.9
115.00393	5.4
118.68459	0.8
124.98812	34.1
129.01962	2.7
129.05571	2.2
129.10344	4.1
130.05067	1.3
131.08270	35.3
132.08586	1.0
140.98294	3.2
142.99863	94.7
144.00171	3.0
150.54422	0.9
154.99899	1.2
155.03488	1.9
173.00923	11.3
173.04568	4.9
173.09296	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	173.1183
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
53.56981	0.3
56.46500	0.3
57.03470	0.3
59.01393	0.4
67.01894	1.2
69.03462	0.5
71.01376	0.8
71.61259	0.5
73.02936	0.8
83.05035	0.6
85.02982	0.5
93.02914	0.7
93.03461	7.6
94.03780	0.3
99.00906	0.5
99.78395	0.3
111.00910	0.9
111.04533	1.0
111.08180	1.1
127.11295	11.9
128.11586	0.6
155.10814	2.5
156.11086	0.3
160.96045	0.3
171.10301	1.5
173.11830	100.0
174.12183	4.5
183.89413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01871	0.5
57.03447	0.3
59.01390	0.4
70.94021	0.7
97.06618	0.3
99.00871	0.5
99.08174	0.7
99.92593	2.6
109.02940	0.2
109.06582	0.4
115.92099	0.4
123.08193	0.5
125.09734	3.6
127.07667	0.9
127.11299	7.1
137.65817	0.2
146.55911	0.2
153.09221	1.8
170.83337	0.3
171.02020	0.8
171.10281	100.0
171.13852	4.4
171.91112	0.4
172.10634	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	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.70675	0.5
56.15216	0.4
56.19317	0.4
69.53030	1.3
69.53442	2.2
83.70218	0.4
84.53307	0.4
98.19895	0.9
99.08176	0.9
125.09727	3.3
127.11301	6.3
153.09216	1.5
168.20393	0.4
171.10269	100.0
172.10612	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
50.55227	0.2
54.03744	0.2
57.03495	0.2
58.02972	1.4
59.01378	0.2
67.01907	0.7
69.03467	0.2
69.69520	1.0
71.01385	0.9
72.99316	0.2
73.02947	0.6
77.58610	0.2
82.06634	0.3
83.01413	0.2
83.05061	0.3
85.02988	0.3
87.00894	0.3
93.03455	3.3
99.00883	0.3
99.92574	0.3
111.00910	0.7
111.04541	0.5
111.08173	0.5
112.98817	0.6
128.05145	0.2
128.08043	0.3
128.10818	2.3
130.08739	100.0
130.32893	0.2
131.08238	0.3
131.09090	2.3
142.99864	0.3
144.04546	0.9
172.04027	0.4
172.09787	11.2
172.14217	0.3
173.02440	0.3
173.04533	0.7
173.06003	0.4
173.08061	0.4
173.10098	0.3
181.94345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30929	0.2
58.02976	100.0
59.02663	0.3
59.03318	1.0
69.03439	0.3
70.02992	0.6
71.61797	0.3
71.62206	0.3
81.03477	0.3
83.05042	0.3
87.29160	0.3
87.41631	0.3
97.02985	0.7
108.04568	0.4
122.06148	0.4
122.89437	1.0
125.02461	5.0
132.86816	0.6
151.11371	0.4
161.79085	0.3
168.03021	0.3
168.13928	7.2
169.01442	1.4
181.84079	0.3
184.41779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
59.01386	5.0
69.56725	3.2
69.57054	0.7
71.01405	0.7
98.20592	1.0
107.05067	0.7
107.27988	0.6
109.06587	10.5
127.07655	100.0
128.07990	2.9
130.08730	1.2
144.28569	0.4
171.06645	1.8
171.10258	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0667
Annotation	6-HYDROXYDOPAMINE
Peak:m/z	Relative Intensity
52.30429	0.8
55.01885	1.4
66.03485	2.1
67.33500	0.8
68.01418	2.3
68.99821	0.9
69.03457	26.8
69.85696	4.2
70.02989	0.9
71.01389	2.5
80.05110	0.8
80.96511	1.1
83.06161	3.0
83.13512	0.8
84.04558	0.9
92.05053	1.2
92.82194	0.8
94.02985	2.3
94.06630	1.0
96.04556	100.0
97.02968	1.6
97.04903	1.9
98.43733	1.0
99.00985	1.0
106.06627	1.8
108.04569	1.6
110.06126	1.1
122.06111	5.2
124.07687	54.8
125.02532	2.2
125.08046	1.6
140.03636	0.8
150.97070	1.3
151.00371	1.0
153.01645	1.2
153.99030	1.2
168.06653	25.7
168.83600	1.0
169.01414	2.5
169.07315	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	167.1077
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
59.98526	10.5
69.79171	2.5
69.79580	6.0
74.58898	1.5
85.02953	2.8
86.39055	1.1
98.03740	1.6
99.04526	9.1
108.02196	3.8
123.04505	3.6
123.32579	1.4
125.02374	1.3
152.01178	8.9
152.97710	1.3
167.03462	5.2
167.10770	100.0
168.11127	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	167.0714
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
57.03442	1.9
59.01365	0.9
65.00330	1.1
67.01884	3.3
67.05534	1.0
68.99805	1.3
69.03464	5.7
69.11273	0.8
69.37312	5.2
69.37720	1.7
71.01380	2.6
72.70462	0.8
72.99321	0.8
74.99142	0.7
75.05919	0.7
77.96014	0.7
78.62812	0.7
78.98578	1.5
79.05537	1.3
80.02680	2.5
81.03459	4.5
82.03016	0.8
83.05027	3.6
84.02158	2.8
85.02950	5.2
91.01894	1.7
93.03455	11.2
95.01399	9.5
95.05032	13.8
96.00909	1.1
96.04560	1.6
97.02969	7.5
97.06592	6.8
98.03738	4.2
105.03432	1.4
105.07084	2.8
106.04253	1.3
107.05051	1.1
108.02180	25.1
108.04549	2.2
109.02975	8.3
109.06615	5.5
110.03777	5.4
110.18044	0.8
111.00910	2.0
111.04557	1.3
111.08161	22.7
112.01673	8.0
112.08493	0.8
116.28868	0.7
121.02963	6.6
121.06606	12.4
122.03773	5.7
122.06166	1.1
122.06989	1.3
123.00899	7.4
123.04529	100.0
123.08153	8.0
124.01670	16.1
124.04082	0.9
124.04888	3.1
124.07683	2.2
125.02458	3.8
125.06161	1.2
126.05525	1.2
134.03711	1.1
137.02486	5.1
137.06119	2.7
138.03224	1.7
139.00368	0.9
139.02861	1.8
139.04030	16.4
139.07666	45.4
140.07164	2.4
140.08083	1.7
149.02466	9.0
149.06087	25.5
150.06491	1.1
152.01169	40.9
152.04782	2.1
167.03497	75.7
167.07158	32.3
167.08551	1.5
168.03830	2.6
168.06525	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	165.1285
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
57.03453	11.7
59.01383	1.0
61.98825	1.5
65.00339	1.1
65.03963	0.9
65.99844	0.7
66.03500	1.1
68.99836	0.9
69.03467	1.3
70.14722	2.6
71.01381	1.4
71.05019	2.4
72.99329	3.9
75.00861	1.7
75.04689	0.6
77.03970	5.6
80.02696	1.3
81.03470	1.6
81.87690	0.7
83.05021	3.5
86.49791	0.5
87.00885	3.9
92.99828	2.9
93.03455	5.0
93.99383	1.4
95.01390	0.9
95.05020	1.5
97.06637	3.2
105.01942	2.8
107.05055	1.0
108.02199	1.3
108.04565	1.7
109.02956	1.9
109.06600	1.1
111.08170	13.0
119.05053	5.6
121.02960	100.0
121.06597	1.3
122.02493	1.5
122.03317	4.4
123.00923	0.7
123.04520	1.3
136.98883	0.9
137.02443	8.1
137.06071	0.7
137.09737	0.6
138.05637	0.9
147.04533	11.0
147.11801	0.7
149.00974	7.6
150.00870	0.6
150.03218	6.1
151.00430	1.4
156.67307	0.6
163.11266	2.7
164.83675	1.5
164.89560	8.3
165.01949	14.0
165.04099	3.1
165.05580	7.2
165.07709	1.1
165.09186	1.9
165.12846	42.7
166.01331	1.0
166.05054	3.3
166.13196	2.5
169.46454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1284
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
54.30247	2.8
57.03450	25.3
69.03442	4.8
71.05029	3.5
77.03972	3.9
80.02675	5.0
81.03442	13.4
83.05031	30.2
93.03460	4.9
95.05035	22.4
96.72035	2.7
97.06589	55.6
98.20669	5.7
107.04965	2.8
109.06580	8.5
111.08157	48.1
121.02961	53.8
123.08169	3.1
134.16937	2.7
137.09770	4.5
139.22447	2.6
141.81808	2.7
147.04515	5.7
147.11845	4.0
149.00961	4.4
150.03218	4.7
163.11293	12.4
164.89497	4.7
165.01974	7.7
165.05528	4.8
165.12854	100.0
166.13225	4.2
182.14005	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	165.0406
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
57.03461	0.6
59.01088	0.5
59.01381	7.6
68.99837	0.4
70.26537	0.8
71.01385	6.6
72.99312	5.7
73.02941	3.1
74.16290	0.2
75.00879	10.2
83.01382	0.3
85.02980	0.3
87.00881	100.0
88.01210	1.7
89.02429	2.3
96.99335	0.3
99.00890	12.0
100.01216	0.3
101.02453	3.2
105.01939	74.6
106.02299	1.7
106.52644	0.2
115.00431	0.3
117.01942	2.9
119.03497	0.9
135.03009	2.3
147.03000	7.0
150.30219	0.2
165.04045	43.9
166.04407	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48982	0.5
57.03451	32.8
58.03782	0.5
65.00376	0.6
69.03472	2.0
71.01385	0.5
71.05026	3.5
71.31404	0.6
72.99324	1.2
73.25056	0.5
77.03979	2.1
80.02689	0.6
80.45050	0.5
81.03477	2.9
83.05040	7.3
91.02197	0.8
93.03474	2.0
95.05044	2.0
97.06580	4.8
98.19882	1.9
107.05047	1.2
109.06608	4.2
111.08163	52.9
112.08510	1.6
113.27993	0.6
119.04995	1.2
119.49087	0.6
121.02966	26.3
122.03305	0.9
123.08143	0.9
134.68245	0.5
137.02443	1.2
147.04527	2.0
147.11810	1.5
149.00964	2.1
150.03229	2.5
151.00407	0.8
155.07161	0.6
163.11282	2.0
164.89580	1.7
165.01929	3.8
165.05536	1.6
165.12846	100.0
165.91498	0.6
166.05109	0.6
166.13190	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	163.1123
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
52.25401	1.0
61.98826	3.2
67.13464	1.1
71.61907	1.1
73.59013	1.1
109.02416	1.2
116.92096	6.1
117.91942	1.5
119.05027	27.6
120.05379	2.2
139.49199	1.1
147.08237	2.1
147.75774	1.1
162.83899	2.9
162.89287	1.1
163.04033	2.2
163.11292	100.0
164.11630	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	164.0717
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.79248	0.6
59.01384	0.7
69.71187	0.5
70.36248	2.1
72.00911	42.0
73.05253	0.5
75.00890	1.4
75.37151	0.5
87.00865	5.2
91.05544	2.0
103.05553	2.6
105.01925	3.6
118.06677	0.8
119.05038	2.8
120.04627	0.8
120.05379	4.0
121.02958	5.9
141.56509	0.6
147.04524	100.0
148.04880	4.7
150.03204	4.2
164.07167	49.2
165.04114	3.3
165.05380	1.0
165.07558	3.0
169.46873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
69.60995	1.0
69.61417	0.7
73.84623	0.3
74.05274	0.3
77.55612	0.3
93.03464	2.6
117.03452	0.5
119.05029	100.0
120.05365	3.7
135.04526	0.7
139.90755	0.2
162.89354	0.6
163.00346	0.5
163.04016	12.3
164.04364	0.4
164.30663	0.3
173.90634	0.3
178.88104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60215	0.2
91.05527	0.3
93.03446	1.6
117.03464	0.3
119.05026	100.0
120.05353	4.0
135.04532	0.3
139.62112	0.2
145.03041	0.2
145.48166	0.2
147.04553	0.9
154.73285	0.2
159.41599	0.2
162.89339	0.4
163.00342	0.4
163.04007	8.9
163.05365	0.4
163.07666	0.3
164.04330	0.4
164.07175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.57374	0.1
66.83710	0.2
69.74551	1.0
69.74908	0.2
91.05534	0.5
93.03442	1.2
97.69360	0.1
117.03511	0.4
119.05031	100.0
120.05360	3.5
123.70628	0.2
138.67291	0.2
145.58003	0.2
162.89351	0.2
163.04015	7.0
164.04405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
53.65604	0.1
66.74454	0.2
70.91845	0.3
70.92203	0.2
71.42850	0.2
91.05546	0.3
93.03459	1.3
117.03489	0.2
119.05030	100.0
120.04636	0.2
120.05370	4.0
135.04593	0.1
135.88892	0.1
140.03525	0.2
162.89389	0.5
163.00349	0.3
163.04018	7.0
164.04356	0.3
166.94450	0.2
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
55.01868	7.9
57.03449	79.9
59.01381	53.8
60.67936	2.0
61.47611	2.1
69.03461	12.0
70.45761	6.6
71.01386	41.1
71.05020	46.7
72.99313	6.4
73.02949	39.3
75.00871	2.1
80.87476	1.8
81.03431	2.5
83.01395	16.9
85.02952	44.0
86.03283	2.2
87.00875	43.9
87.04517	6.7
89.04374	2.2
95.01406	1.8
97.02954	12.7
99.00893	13.7
99.04517	100.0
100.04895	2.4
101.02445	39.0
113.02459	3.4
115.04007	28.9
117.01942	2.4
117.05571	32.5
118.96202	2.1
125.02460	10.5
131.03481	5.0
143.03508	91.1
147.03236	3.9
161.02446	4.9
161.04555	86.5
162.04936	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	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05586	0.1
69.69771	0.3
69.70188	0.6
83.55305	0.1
91.05542	0.6
93.03449	1.1
94.58069	0.1
117.03423	0.3
119.05029	100.0
120.05364	4.1
135.04495	0.2
163.04007	5.9
164.04440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.03
Annotation	D-2,3-Diketo 4-deoxy-epi-inositol
Peak:m/z	Relative Intensity
55.01881	10.7
56.65751	0.9
57.03184	1.6
57.03449	25.7
58.00589	3.6
59.01374	6.2
66.93538	0.9
68.99812	1.2
69.03446	1.5
70.78287	2.7
71.01386	12.3
72.99306	2.3
73.02946	13.1
75.00862	2.1
79.80236	1.0
83.01389	100.0
84.01715	1.7
85.02956	13.5
87.00861	4.7
87.04512	16.0
88.04036	1.2
97.02954	2.5
97.06582	1.8
98.00120	1.3
99.00878	9.3
99.92574	1.3
101.02436	3.1
111.00875	7.4
113.02432	2.3
116.07200	1.4
116.92854	3.9
117.07541	2.6
127.00432	5.3
128.82559	1.1
129.01984	5.0
158.89284	3.6
159.03033	10.6
159.04346	2.0
159.06657	2.0
159.10271	1.8
159.89400	3.0
160.04080	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	158.0458
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
57.03444	1.4
58.02974	21.3
69.03468	1.5
71.01400	1.6
71.29368	1.9
73.62369	0.9
83.01434	1.0
84.04550	3.7
85.02969	1.2
86.02499	3.6
86.06113	20.7
96.04549	25.8
97.00465	1.0
97.02953	1.1
98.00790	2.0
99.00892	2.2
101.02444	1.0
111.00866	1.0
112.04049	23.8
112.04848	1.3
114.03069	0.9
114.05612	11.7
115.03442	1.2
118.66206	0.9
158.04585	100.0
159.04924	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	158.0459
Annotation	4-Methylene-L-glutamate
Peak:m/z	Relative Intensity
51.18644	0.5
55.01879	0.7
57.03444	3.0
58.02975	23.4
58.59951	0.6
59.01386	4.2
64.50368	0.5
66.03500	0.6
69.03449	2.2
69.57169	4.6
71.01377	4.5
71.05027	1.0
72.00891	1.3
73.02950	1.1
82.02995	0.7
83.01392	0.9
84.04562	1.9
85.02952	3.5
86.02495	3.3
86.06120	8.9
87.04512	0.6
96.04557	18.8
97.02952	4.5
98.02486	0.6
98.10149	0.5
99.00866	1.5
101.02415	0.6
112.04039	10.1
114.05607	8.5
114.09249	1.3
115.04013	1.4
116.07181	19.1
141.01935	1.4
158.04587	100.0
158.08153	6.3
158.89294	8.5
159.03029	3.0
159.05016	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	157.087
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
53.35542	0.8
56.83532	0.8
57.03442	1.8
59.01380	24.2
67.05519	2.9
68.99812	1.3
69.03460	1.8
69.66021	1.9
69.66426	5.1
71.01385	20.1
71.83498	1.0
72.99294	1.5
83.05019	2.2
84.99306	3.8
85.02954	2.3
85.06582	0.9
87.00879	1.4
95.05016	1.1
97.06592	1.3
99.00861	2.3
103.42715	0.9
109.06599	8.5
111.08146	6.5
113.06085	2.1
113.09710	1.9
114.03086	1.3
115.00361	2.7
121.06600	2.8
124.04753	0.9
127.00380	7.6
127.07655	45.4
128.08020	2.0
139.07652	35.3
140.08008	1.9
142.02623	1.1
156.89449	3.8
157.01384	2.2
157.08702	100.0
157.12329	10.2
158.03546	1.4
158.04700	0.9
158.06117	1.5
158.08188	3.3
158.09122	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	157.0507
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
50.07413	0.3
51.30748	0.3
57.03464	0.9
57.74530	0.3
59.01382	1.7
67.80623	0.3
68.99816	1.4
69.03442	0.7
70.74055	0.8
71.01384	1.1
71.02518	0.4
73.02932	0.3
79.27962	0.3
83.01384	0.5
84.99320	1.2
85.02950	1.5
85.06593	0.3
87.00876	0.8
90.31119	0.3
91.96934	0.3
95.01368	0.4
95.05032	0.5
97.00438	1.1
97.06585	0.7
99.00879	1.8
105.12620	0.4
111.00915	0.5
113.06088	100.0
113.09721	1.1
114.03103	0.7
114.06408	3.3
115.00381	2.1
116.07182	0.6
127.00395	5.2
128.05002	0.5
130.06633	0.7
139.00383	0.4
139.07652	0.7
142.02744	0.4
153.13167	0.3
156.89468	4.6
157.01422	1.3
157.05069	9.7
157.08725	4.7
157.12346	5.9
158.08237	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1079
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
51.58498	0.6
59.01364	0.7
62.15440	0.6
67.01857	0.5
69.34161	2.1
69.34583	3.6
83.01380	2.3
85.50824	0.6
111.00870	1.8
114.05588	1.2
127.00359	0.8
137.09734	1.0
140.01114	1.2
154.99797	0.6
155.03654	0.7
155.10777	100.0
156.11078	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	153.0195
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
64.02881	0.4
65.03966	18.3
66.04275	0.5
67.01546	0.7
67.01891	9.2
69.56585	2.8
78.55817	0.3
81.03456	0.5
86.92070	0.4
89.96194	0.4
91.01896	5.7
93.54096	0.4
97.60351	0.5
108.02160	0.5
109.02954	100.0
110.00100	0.8
110.02593	0.5
110.03307	3.5
125.02470	0.6
135.00887	27.5
136.01215	1.3
137.99565	1.5
139.86963	0.4
153.01935	60.5
154.02295	3.2
154.05113	0.6
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	Unknow
Peak:m/z	Relative Intensity
55.01881	14.6
57.03426	5.9
58.00601	15.4
58.02974	3.4
59.01381	48.2
66.65017	1.6
67.01890	6.4
68.02516	2.6
68.99828	5.3
69.03453	3.9
69.61600	13.5
71.01386	21.1
71.05006	4.0
72.02177	6.0
72.99302	11.0
73.02939	2.4
75.93956	1.8
78.95905	3.7
79.05519	2.4
81.03463	4.4
83.01398	16.7
83.05020	19.0
84.02179	14.6
84.04546	12.6
84.47156	1.8
85.02968	10.0
85.06631	2.1
86.00088	13.9
87.00874	17.0
91.05503	2.3
93.03466	8.2
93.07189	1.8
95.01408	10.3
95.05029	45.8
96.00877	3.6
96.05383	2.3
96.96049	1.9
97.01650	1.8
97.02998	2.6
97.06590	24.2
98.02464	2.3
99.00885	5.7
99.08155	41.9
99.92593	2.6
100.01675	2.0
107.05028	86.3
108.02188	7.1
108.05376	3.1
109.02971	6.0
109.06596	8.5
111.00892	13.1
111.02013	3.3
111.04507	14.7
111.05650	2.3
111.08138	9.4
112.01671	9.8
112.04049	10.5
113.02420	5.5
113.03589	1.9
113.06097	19.2
114.05614	62.1
123.00880	5.5
123.04515	2.6
125.04404	3.2
125.06085	31.3
127.00392	14.1
127.04066	3.3
127.07661	41.8
134.03731	8.0
135.04532	100.0
136.04860	9.4
137.02429	5.8
137.06085	7.7
139.99449	2.5
140.01164	30.8
144.00639	3.7
148.63661	1.9
154.99902	11.8
155.02608	7.0
155.03513	9.0
155.05557	2.5
155.05763	2.8
155.07143	27.1
155.08337	2.3
155.86568	3.2
156.06630	14.6
164.00430	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	xylulose
Peak:m/z	Relative Intensity
59.01377	24.8
69.03461	2.4
70.80818	4.0
71.01384	33.2
72.99309	56.0
73.02949	19.6
75.00865	9.9
75.62676	1.9
78.66137	1.4
87.00877	71.3
88.01214	1.6
89.02446	100.0
92.58845	1.7
98.55220	1.7
101.02430	2.0
103.00392	9.3
103.04008	5.2
105.01934	6.9
130.99915	1.7
131.03508	8.1
143.36951	1.5
148.95248	5.0
149.00923	24.6
149.04561	30.3
150.01222	1.6
150.04860	1.6
167.24748	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	L-ribulose
Peak:m/z	Relative Intensity
53.19613	0.5
55.01867	0.7
59.01385	7.7
69.03454	2.2
70.42071	1.9
70.42451	1.0
70.90903	0.6
71.01384	31.4
72.01727	1.1
72.99313	2.3
73.02949	23.3
75.00879	1.5
85.02938	1.5
87.00873	12.8
89.02447	100.0
90.02769	1.6
101.02466	1.5
103.04005	4.9
131.03514	9.3
136.09389	0.6
149.04558	34.1
150.04927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
56.32842	0.1
59.01377	0.2
63.96222	0.2
65.00347	0.2
67.01885	0.4
67.91665	0.1
68.99823	0.3
69.03452	0.2
69.36501	0.3
69.36906	1.1
71.01394	0.3
78.32580	0.2
79.01904	0.1
92.02612	0.2
93.03481	0.2
94.55023	0.2
95.01392	1.3
95.05061	0.2
97.02936	0.2
101.02425	0.2
107.01361	0.2
107.05028	0.5
107.44904	0.2
108.02171	6.5
108.42891	0.2
109.02945	0.5
116.73496	0.1
122.03725	0.5
123.00898	0.4
123.04567	0.8
132.99672	0.2
136.01659	100.0
137.01994	5.3
151.04004	9.3
151.07594	0.8
152.03349	0.3
152.04408	0.5
152.07230	0.2
154.93419	0.1
165.90263	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	149.0092
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
55.78250	1.4
59.01383	24.1
70.53220	3.4
70.79679	1.3
71.01381	2.4
72.99310	96.8
73.99655	1.7
75.00877	3.1
79.93360	1.3
79.95743	4.4
87.00878	100.0
88.01230	1.6
89.02436	4.6
96.03457	1.5
103.00376	11.9
105.01935	5.8
114.94843	1.4
121.02964	7.0
130.99924	1.7
131.03555	1.5
148.95250	9.1
149.00926	50.3
149.02206	2.4
149.04587	2.0
150.01276	1.6
167.70045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0092
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
55.75554	1.5
58.00594	1.8
59.01095	2.4
59.01381	37.0
62.97226	1.9
69.78088	3.5
69.78506	6.0
70.03192	2.1
72.03579	2.1
72.99310	83.2
75.00871	4.5
77.02594	1.7
77.73138	1.8
87.00876	100.0
88.01225	2.6
89.02449	3.2
98.19964	3.7
103.00381	16.4
105.01913	7.6
115.30096	1.6
121.02946	7.1
130.99904	4.3
134.03668	2.0
149.00914	43.0
149.02271	3.0
150.01266	1.8
151.57498	1.6
152.04889	1.6
167.08273	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33435	1.5
59.01378	32.0
64.61093	1.6
68.11199	1.9
69.03452	2.1
69.52956	11.7
71.01382	31.5
72.99310	69.1
73.02947	27.5
75.00862	9.0
82.38696	1.5
85.02960	1.9
87.00876	83.5
89.02444	100.0
98.20564	3.5
102.23573	1.7
103.00370	12.2
103.04019	5.6
105.01950	6.3
131.03500	11.5
132.60945	1.6
134.03699	1.7
143.03867	1.8
149.00920	36.9
149.04549	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	149.0092
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
59.01378	33.5
66.81499	1.4
69.43664	11.7
69.44067	3.2
71.01402	1.9
72.99312	87.4
75.00866	5.4
87.00879	100.0
87.69720	1.5
88.01226	3.9
89.02446	4.1
89.56120	1.6
103.00365	18.7
105.01934	8.7
121.02940	4.5
128.61760	1.6
130.99869	4.7
134.03703	2.3
141.52690	1.7
149.00925	41.9
149.02190	3.0
150.01207	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0091
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
59.01379	32.1
71.01400	2.4
72.99307	85.8
73.02920	1.8
73.99670	2.2
75.00871	4.4
75.25082	1.5
87.00877	100.0
88.01220	2.7
89.02453	10.7
93.14812	1.5
98.20614	5.6
99.36867	1.6
103.00369	12.5
105.01929	10.2
121.02948	4.3
130.99852	6.4
133.96527	1.6
149.00911	39.9
149.02202	2.2
149.04477	2.1
149.06104	2.5
150.01305	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22094	1.0
52.33858	1.1
59.01092	2.1
59.01378	29.5
69.99892	4.2
70.00279	2.8
71.01382	1.2
72.99306	96.6
73.99624	1.3
75.00888	3.1
87.00875	100.0
88.01230	3.3
89.02445	1.5
98.20600	2.3
103.00371	14.0
105.01913	7.5
126.93427	1.2
130.99869	2.9
149.00909	44.9
150.01311	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	149.0092
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
59.01382	33.3
66.02305	1.5
70.80499	1.7
70.80831	2.9
71.01391	19.9
72.99313	89.4
73.02956	11.1
73.99689	2.1
75.00874	5.7
78.28283	1.4
87.00880	100.0
88.01224	3.5
89.02446	56.0
95.94479	1.4
103.00380	15.5
103.04014	2.9
105.01960	7.7
125.25923	1.8
130.99858	2.9
131.02644	1.5
131.03481	7.8
134.03766	1.9
149.00917	47.5
149.04543	21.4
150.01253	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0092
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
51.68816	1.6
58.38461	1.8
59.01380	41.2
69.60083	5.1
69.60493	4.6
71.01385	3.1
72.99307	87.7
73.02943	2.9
73.99645	1.8
75.00856	4.5
78.40431	1.9
87.00876	100.0
88.01189	2.4
89.02430	7.2
103.00366	15.7
105.01941	9.0
118.81593	1.5
121.02937	4.6
125.75155	1.9
130.99863	3.3
134.03728	5.1
149.00914	40.7
149.02225	2.0
149.04517	2.6
149.05893	1.5
153.30821	1.6
156.39809	1.6
157.24507	1.6
161.19453	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
55.04592	12.8
59.01383	21.5
66.36182	13.9
69.89716	57.6
71.01367	37.6
75.00889	18.8
109.82375	13.2
119.05035	14.8
144.85583	14.5
147.01974	18.8
147.04509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18628	8.5
55.59200	7.0
58.84581	7.7
59.01370	24.5
63.09181	6.7
70.22740	6.7
71.01369	33.4
71.61259	9.6
75.00874	16.3
84.05580	7.7
119.05023	19.8
122.81108	7.7
147.01897	11.9
147.04524	100.0
148.04951	7.8
154.38115	7.3
168.05151	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	146.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	11.8
57.47796	1.3
59.01381	11.0
65.38249	1.2
70.02954	1.6
71.01385	28.8
71.05009	5.3
71.18830	2.5
72.99300	2.6
73.02932	1.3
74.02479	13.9
75.00875	2.3
78.84372	1.3
83.05031	1.6
84.04566	6.0
85.02954	26.9
87.00877	25.5
89.02420	1.9
98.02473	5.7
99.00903	2.1
101.02453	4.1
101.06078	5.5
102.05614	100.0
103.04002	5.7
103.05943	4.7
115.00388	17.8
116.03561	1.5
128.03540	39.0
129.01952	7.8
129.03912	1.6
146.04602	17.7
147.03001	8.7
147.06644	6.7
150.85742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	Citramalate
Peak:m/z	Relative Intensity
57.03448	22.9
57.16425	2.3
59.01378	9.3
66.74834	2.5
66.94373	2.7
67.88274	2.6
68.95534	2.3
70.02000	11.7
70.24553	2.6
71.01382	73.1
73.02942	5.3
75.00883	3.2
85.02954	67.4
86.03273	2.9
87.00877	100.0
88.01207	4.1
101.02465	7.7
101.06102	5.5
103.04028	18.2
104.20749	2.6
114.88866	2.4
115.00372	69.1
129.01926	22.1
147.03008	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	146.046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31446	1.0
57.03430	1.1
58.54035	0.9
59.01389	1.8
70.92801	1.6
71.01381	2.8
74.02470	2.9
75.00896	1.0
84.04560	1.1
85.02950	1.8
102.05611	100.0
103.05956	3.1
103.89468	1.0
128.03537	37.8
129.03874	2.1
146.04601	13.5
147.04935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	25.3
59.01378	12.5
68.99818	6.4
70.13988	4.0
71.01382	53.3
71.41817	5.9
72.99316	4.9
80.99823	4.6
87.00867	14.2
88.97682	3.3
96.99315	31.2
99.00855	3.6
112.98820	33.3
115.00346	6.2
124.98814	74.4
140.98328	12.1
142.98810	7.9
142.99864	100.0
144.00253	4.5
144.06702	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	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.57648	0.4
63.57685	0.5
66.86815	0.5
67.01875	0.5
69.27261	0.9
69.27674	3.7
75.67091	0.4
78.69571	0.4
87.74492	0.4
94.03780	1.3
103.65015	0.4
108.02175	74.0
109.02503	3.9
111.00894	2.2
123.03320	0.9
138.01967	100.0
139.00415	0.9
139.02310	4.6
147.63142	0.4
150.79811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0511
Annotation	3770-22-7
Peak:m/z	Relative Intensity
53.00319	9.3
57.31717	1.2
58.02981	16.0
59.01385	2.5
60.67658	1.3
68.99805	3.3
69.36240	8.2
69.36655	4.5
70.03007	2.8
71.01386	16.6
80.99805	1.8
87.00887	5.9
94.40108	1.4
96.99313	10.5
98.06124	9.4
99.04539	2.6
100.04052	100.0
101.04398	3.2
111.00895	2.8
112.03729	1.2
112.98823	11.6
115.00371	2.4
115.04079	2.3
124.98814	29.7
140.98308	5.3
142.05109	44.1
142.08760	2.8
142.99869	40.1
143.03484	1.7
143.05463	1.7
158.95749	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0664
Annotation	1-Naphthylamine
Peak:m/z	Relative Intensity
51.58253	0.3
69.03442	0.7
71.01385	2.0
71.60575	0.4
71.94773	0.3
73.02949	0.3
81.03502	0.4
85.02965	1.4
96.42790	0.3
97.02969	0.4
114.09241	0.6
116.05062	3.5
117.05365	0.3
125.02467	0.8
128.81097	0.4
140.05061	1.0
142.06627	100.0
143.03525	1.1
143.05147	0.6
143.06984	9.4
143.10788	1.4
164.61957	0.3
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
50.83952	2.3
53.00304	18.3
57.04311	2.5
59.01378	9.2
68.99817	7.3
71.01382	55.0
71.08910	5.5
72.99321	2.6
80.99820	6.3
86.68794	2.8
87.00883	13.7
96.99304	25.5
98.06144	2.9
99.04496	5.2
102.05632	7.1
111.00886	4.8
112.98809	38.7
115.00439	3.8
124.98804	71.9
126.05652	5.1
140.98317	10.1
142.05144	4.8
142.99875	100.0
143.05450	2.9
144.00237	3.5
144.06674	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
58.65318	1.2
59.31245	1.1
61.42375	1.2
69.09492	1.5
69.29137	6.1
69.29562	4.5
72.99301	1.3
78.63453	1.2
93.03464	4.7
106.04253	5.0
106.12720	1.0
107.05038	24.0
107.61587	1.0
108.02190	3.8
108.05410	1.2
111.23006	1.0
121.02933	6.8
123.04562	2.3
131.76157	1.1
134.03752	13.7
134.89467	10.2
135.04527	100.0
136.01707	2.2
136.04002	3.0
136.04871	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	136.0167
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
69.03458	2.7
71.61993	2.1
71.76239	1.4
78.95887	2.0
81.03453	3.6
85.77815	1.7
91.38490	1.6
92.05056	5.3
93.03460	100.0
94.02967	2.2
95.01398	11.2
108.02174	78.2
108.05381	3.0
109.02977	5.4
135.89488	3.4
136.01665	71.1
136.03970	5.7
136.04865	10.0
136.89175	6.6
137.02454	69.8
137.06099	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	137.0245
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
65.03952	1.0
70.09988	1.3
75.32620	0.3
78.17014	0.3
81.03468	2.7
91.01900	1.2
93.03461	10.5
94.03781	0.4
108.02180	6.9
109.02968	4.9
115.77417	0.3
119.01366	1.7
123.03294	0.4
123.10271	0.3
136.01669	12.9
136.59050	0.3
136.89290	0.4
137.02448	100.0
138.02800	6.4
138.05618	0.5
141.62767	0.3
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	Unknow
Peak:m/z	Relative Intensity
65.03961	1.2
69.51033	1.3
69.51435	0.3
77.25219	0.2
93.03458	100.0
94.03796	5.8
94.04374	0.4
108.02187	0.7
109.02956	0.2
122.85097	0.2
134.13289	0.2
136.89163	0.3
137.02441	15.0
137.27043	0.2
138.01924	0.5
138.02849	1.0
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	Salicylic acid
Peak:m/z	Relative Intensity
50.69366	0.2
51.94509	0.3
55.19946	0.2
57.10052	0.2
62.91970	0.2
65.03973	1.2
66.71364	0.2
68.09007	0.3
70.41166	0.2
70.44506	1.1
93.03455	100.0
94.03786	4.9
108.02190	0.4
120.50284	0.2
137.02440	13.5
138.01898	0.5
138.02795	0.9
152.76108	0.3
155.07430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.6
59.01384	10.1
70.59785	1.0
71.01388	4.6
72.99308	17.4
73.02950	0.8
75.00877	100.0
76.01219	1.7
81.45095	0.5
87.00881	11.2
88.01247	0.5
89.02451	5.9
90.02772	0.4
99.00951	0.5
99.92583	1.0
100.39719	0.4
107.05050	0.7
117.00793	0.7
117.01217	0.4
117.01939	3.3
134.89476	12.8
135.03009	24.5
135.04482	2.5
135.89481	1.2
136.03299	0.8
141.33853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0453
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
71.62020	0.8
89.03973	1.5
89.80560	0.6
91.05545	1.0
93.03465	0.9
106.04253	1.5
107.05035	5.5
108.02186	1.3
112.83564	0.6
117.03492	1.7
134.03749	19.2
134.89467	3.5
135.04533	100.0
136.01671	1.2
136.03983	1.0
136.04866	7.7
143.23308	0.7
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
59.30043	0.2
65.01448	1.0
68.02542	0.9
70.43327	0.5
70.43719	0.6
75.00890	0.6
80.02544	0.3
84.22189	0.2
92.02551	10.4
93.02850	0.3
98.19926	0.3
107.03643	35.7
108.03357	0.5
108.03981	1.9
109.96486	0.2
134.04735	100.0
135.03033	0.3
135.03357	0.4
135.04367	1.6
135.05092	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	135.0302
Annotation	Threonate
Peak:m/z	Relative Intensity
58.00602	0.6
59.01384	10.1
70.59785	1.0
71.01388	4.6
72.99308	17.4
73.02950	0.8
75.00877	100.0
76.01219	1.7
81.45095	0.5
87.00881	11.2
88.01247	0.5
89.02451	5.9
90.02772	0.4
99.00951	0.5
99.92583	1.0
100.39719	0.4
107.05050	0.7
117.00793	0.7
117.01217	0.4
117.01939	3.3
134.89476	12.8
135.03009	24.5
135.04482	2.5
135.89481	1.2
136.03299	0.8
141.33853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0375
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
65.01469	1.4
65.25694	1.2
71.61163	1.5
75.00888	4.3
92.02554	5.4
93.03455	4.5
95.05032	1.6
99.92607	1.5
106.04243	9.3
107.03645	22.2
107.05032	37.4
108.02182	5.7
123.04537	2.7
132.21593	1.3
133.03036	5.8
134.03720	31.5
134.04738	53.3
134.86607	2.6
134.89490	30.8
135.04523	100.0
144.98206	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
57.36854	0.7
59.01382	1.4
64.92381	0.7
69.87299	2.1
69.87710	2.1
71.01382	79.7
72.01721	2.1
72.99308	19.3
87.00883	1.9
89.02451	7.3
105.03455	1.0
107.03619	1.9
115.00371	100.0
116.00698	3.1
133.01433	22.1
133.02979	1.8
133.05138	1.1
134.01805	1.3
134.03769	1.2
134.04735	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01385	1.8
70.72038	2.3
71.01382	87.9
72.01718	1.4
72.99306	19.9
81.02621	0.7
87.00907	0.9
89.02428	8.3
115.00372	100.0
116.00720	4.0
117.22637	0.7
132.88676	0.8
133.01433	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	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.4
63.99876	1.0
71.01388	83.5
71.17745	1.0
71.34801	1.1
71.35152	1.4
72.01724	2.2
72.99312	20.9
87.00856	2.1
89.02435	7.7
95.25426	1.2
96.88817	1.1
98.04144	1.0
107.63745	1.0
115.00377	100.0
116.00729	4.0
132.15976	1.1
133.01434	20.1
133.02942	1.3
134.04773	1.3
151.65921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86655	1.2
59.01370	3.2
70.41778	1.3
71.01388	87.0
71.28497	2.5
72.01713	2.5
72.99310	21.2
87.00897	1.5
89.02441	9.3
115.00377	100.0
116.00728	4.3
133.01445	19.8
134.04695	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	132.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92044	0.5
58.86751	0.4
59.01377	1.0
70.02998	0.8
70.47868	1.8
71.01382	21.6
72.00909	58.6
72.99303	2.0
73.01241	1.1
78.98454	0.5
85.50121	0.5
88.04041	68.4
89.03569	100.0
90.03904	1.3
105.61599	0.5
114.01970	2.2
115.00374	27.2
116.00703	0.8
123.72980	0.5
132.03029	16.0
132.04025	1.1
132.88681	0.8
133.01430	1.7
133.03412	0.5
147.67854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0416
Annotation	(S)-2-ureidoglycine
Peak:m/z	Relative Intensity
59.01372	1.0
59.02533	0.7
64.83169	0.5
67.56396	0.5
70.02979	0.6
70.29454	2.3
70.29807	0.6
71.01385	24.4
71.02476	0.7
72.00910	62.0
72.99320	2.2
73.01268	0.8
81.73971	0.6
88.04044	73.3
89.03571	100.0
90.03281	0.6
90.03913	1.9
96.90618	0.6
98.20504	0.9
114.01978	3.5
114.68839	0.6
115.00378	26.8
132.03032	15.0
132.88657	2.1
132.90051	0.8
133.01418	1.5
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
56.92044	0.5
58.86751	0.4
59.01377	1.0
70.02998	0.8
70.47868	1.8
71.01382	21.6
72.00909	58.6
72.99303	2.0
73.01241	1.1
78.98454	0.5
85.50121	0.5
88.04041	68.4
89.03569	100.0
90.03904	1.3
105.61599	0.5
114.01970	2.2
115.00374	27.2
116.00703	0.8
123.72980	0.5
132.03029	16.0
132.04025	1.1
132.88681	0.8
133.01430	1.7
133.03412	0.5
147.67854	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0715
Annotation	2-Hydroxyhexanoic acid
Peak:m/z	Relative Intensity
57.03460	5.0
59.01381	6.0
60.54719	0.7
69.45223	5.4
70.23534	0.7
71.01385	15.6
72.00901	0.8
73.02951	31.9
74.03288	1.2
75.00883	0.9
84.02191	1.4
85.02954	4.9
85.06595	100.0
86.06915	4.7
87.00898	1.0
87.04514	2.3
87.08155	2.0
88.04027	1.0
89.03579	0.8
95.05009	4.5
96.05353	0.8
98.20640	1.3
111.04548	1.1
113.02444	0.7
113.06096	13.0
115.27067	0.7
123.39085	0.7
129.05579	6.2
131.03542	2.2
131.07149	15.0
131.08124	1.1
132.07481	1.1
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
51.73887	0.5
54.65894	0.4
55.01867	1.1
57.02554	0.6
57.03455	3.9
58.02964	0.5
59.01370	0.5
60.97482	0.5
67.01895	10.4
68.99831	2.4
69.57156	1.7
69.57573	1.8
71.01378	2.4
72.99303	0.9
73.02952	0.7
80.50356	0.5
82.10685	0.5
83.01408	0.9
84.00008	0.4
85.02953	4.5
87.00883	0.9
88.04045	6.1
101.02470	0.7
109.96053	0.5
112.04043	0.7
128.07205	0.5
128.90170	0.5
129.01953	3.2
129.03850	0.9
129.07516	0.7
130.08742	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	130.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
62.56528	0.9
66.58561	0.8
68.46330	0.9
70.02945	1.1
70.72189	2.5
70.72540	1.2
71.01375	4.2
73.02955	7.9
85.02969	1.3
87.04530	3.1
87.21902	0.9
88.04055	2.3
102.55579	1.0
113.06129	0.8
130.08745	100.0
131.03561	1.1
131.08302	1.9
131.09087	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	130.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.0
58.00587	4.1
59.01381	100.0
60.01682	1.9
68.99834	2.0
70.76390	2.7
70.76734	1.9
71.01385	24.2
72.99313	9.7
73.02950	52.4
74.03284	1.5
83.71167	1.2
84.03653	1.1
85.02958	12.1
85.06583	4.1
87.00859	2.0
87.04506	5.1
94.78345	1.7
103.04047	1.7
131.03462	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	127.0766
Annotation	1-Oxa-2-oxo-3-methylcycloheptane
Peak:m/z	Relative Intensity
55.16409	4.6
59.01369	13.6
59.69170	4.7
63.58857	4.0
63.61722	4.4
71.21548	10.3
105.43414	4.6
109.06564	12.0
126.90398	5.2
126.92783	4.8
127.07663	100.0
128.07999	4.6
136.13745	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	129.0195
Annotation	Mesaconate
Peak:m/z	Relative Intensity
53.68157	4.5
55.01870	14.0
57.03449	37.2
59.01382	5.5
67.01889	87.7
68.02207	3.9
68.99815	16.9
71.01370	14.3
71.59966	6.0
72.99297	8.4
73.02936	4.1
74.02465	4.5
83.01377	3.9
85.02953	40.3
87.00858	10.8
88.04037	88.0
101.02442	7.2
109.07817	4.1
129.01979	24.6
129.07497	5.1
130.08740	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	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
61.26474	0.8
66.03487	1.7
70.23740	2.4
79.35638	0.9
87.32391	0.7
91.01913	0.9
93.03462	4.7
94.02988	12.8
108.02168	3.2
121.02957	100.0
122.02476	9.3
122.03311	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
69.36284	0.2
69.90718	1.2
88.89484	0.2
91.01907	1.1
92.02690	0.5
93.03455	3.0
94.02972	1.2
95.01397	1.0
108.02176	4.1
121.02953	100.0
122.02481	0.9
122.03288	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	1195.6032
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01408	0.4
83.05029	0.2
84.99326	0.2
87.00876	7.8
89.03979	0.5
91.01907	0.3
91.05531	0.7
93.03448	1.2
95.01389	0.6
95.05003	0.2
96.99300	1.1
99.00880	0.8
101.02478	0.3
103.00372	2.3
105.01926	0.7
105.03444	0.2
106.04238	0.2
107.05029	2.2
108.02186	0.8
109.02199	0.3
109.02959	8.0
111.00877	1.9
112.98815	10.3
113.02448	0.2
113.99155	0.2
117.03467	1.1
119.01384	0.5
119.05062	0.9
121.02948	4.0
123.00880	0.6
123.04552	0.7
127.00381	9.7
128.00703	0.2
129.03444	0.2
130.99867	2.3
131.05042	0.4
132.02180	1.5
133.02963	12.9
134.03755	7.9
135.04529	100.0
136.01686	0.2
136.04855	2.8
137.02444	9.4
139.00375	7.1
139.03978	0.4
143.05009	0.2
145.02936	2.1
146.03763	0.4
147.00914	0.4
147.04517	1.9
148.05319	0.4
149.00984	1.0
149.02443	13.2
149.06042	1.7
150.03047	0.5
151.00377	0.5
151.04021	1.6
152.01170	2.1
154.99861	1.8
158.03751	0.2
159.04530	2.6
160.01727	0.3
161.02446	31.2
162.02797	1.1
163.04010	18.8
164.04796	9.7
165.01950	0.7
165.05443	0.6
166.02670	0.8
167.03418	0.2
169.05078	0.8
173.02455	3.8
174.03154	0.6
174.98981	0.2
175.00388	2.3
175.03983	1.5
176.01147	0.5
177.01936	4.5
177.05556	3.0
178.02644	0.6
179.03499	72.9
180.03839	2.5
181.05092	1.1
186.03139	0.2
187.04033	2.1
189.01895	1.4
189.05557	0.6
190.00957	0.3
190.02715	7.0
191.03491	14.7
192.04262	3.3
193.01402	2.7
193.05002	0.5
201.01990	1.3
201.33572	0.1
202.02768	0.3
203.03485	1.0
204.04192	0.3
205.01401	2.0
205.05052	7.7
206.05812	0.9
207.06635	1.4
208.03767	7.7
209.04234	0.2
215.03513	0.3
216.04233	0.7
217.01445	0.5
219.02985	44.7
220.03671	5.5
221.04561	1.7
221.08102	1.0
223.06107	39.1
224.06427	1.4
225.16084	0.2
229.01422	0.2
231.02969	9.5
231.06683	0.4
232.03671	1.0
234.05298	0.3
235.06087	2.6
236.06575	0.3
244.03725	0.7
245.00880	0.5
247.02582	0.3
248.03194	1.3
249.04033	0.6
249.07541	0.7
250.04640	0.3
260.03250	2.7
263.05594	18.4
264.05911	0.9
265.07098	0.8
268.03671	0.3
269.04538	4.1
270.04910	0.2
275.01971	4.8
275.05585	2.1
276.02734	0.2
278.04376	0.2
280.02225	1.1
293.03033	91.3
294.03372	4.5
311.04123	1.1
311.07455	0.3
319.04550	1.9
332.50180	0.2
337.05640	44.4
338.06021	2.2
355.06696	40.1
356.06979	1.9
387.10812	0.2
398.47299	0.1
409.94543	0.1
417.15533	0.6
451.32910	0.3
517.09869	4.7
518.10236	0.6
677.49792	2.8
678.49976	0.5
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	1.5
71.60967	0.9
72.99303	1.1
73.02959	0.8
91.05535	1.0
93.03469	4.6
101.92418	3.2
101.93014	1.1
117.03472	0.8
117.22928	0.5
118.92628	5.8
118.93347	1.9
119.05031	100.0
120.05357	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	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
51.09407	0.7
55.24312	0.6
58.98883	0.6
59.01367	1.3
70.93230	2.0
74.75484	0.6
79.73946	0.6
79.80277	0.6
86.55293	0.6
87.77343	0.8
91.05547	0.8
93.03474	4.7
93.03978	0.7
96.35930	0.7
99.20473	0.8
101.92423	3.4
107.13901	0.8
117.03513	0.9
118.92622	6.4
118.93341	2.1
119.05030	100.0
120.04587	1.1
120.05366	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	119.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91512	1.6
89.25188	0.6
91.05540	1.5
93.03459	5.3
104.74768	0.6
117.03468	1.3
118.92662	2.0
118.93351	1.2
119.05025	100.0
120.05359	7.5
127.10751	0.9
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
53.25383	1.1
55.37973	1.2
59.01362	1.8
64.08672	1.2
68.64695	1.2
70.77268	3.3
93.03468	5.2
119.05027	100.0
120.05350	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
54.57602	0.8
63.65964	0.7
69.73984	5.0
71.05912	0.7
74.23476	0.7
76.13265	0.8
80.42304	0.7
91.05550	1.1
93.03468	5.0
99.99043	0.7
100.60618	0.8
101.92398	1.2
117.03458	0.8
118.92677	2.2
119.05026	100.0
120.05369	7.6
132.16612	0.9
138.80226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.5903
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01393	1.9
85.02948	6.9
87.00875	0.8
89.02449	2.9
95.01389	2.6
97.02951	4.2
99.00887	5.3
101.02439	4.0
103.03983	0.4
111.00845	0.6
112.81401	0.2
113.02452	7.8
115.00349	0.4
119.03512	1.1
125.02454	9.3
126.02736	0.2
128.90157	0.5
131.03493	1.0
139.00307	0.5
143.03452	0.4
157.01445	0.4
158.04588	0.2
159.02971	0.3
161.04533	0.3
163.06197	0.4
179.05562	0.4
372.99988	0.2
565.38831	0.8
635.43176	1.0
638.65265	0.3
707.42200	0.3
725.42407	0.4
849.50031	0.4
862.01172	0.2
995.56329	0.4
1037.53577	0.4
1051.54541	1.1
1052.55444	0.7
1057.55847	2.2
1165.58057	5.5
1166.57764	1.1
1183.59058	100.0
1184.59351	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	1183.5909
Annotation	Unknow
Peak:m/z	Relative Intensity
81.97853	0.1
83.01401	1.9
85.02959	7.9
86.00101	0.7
87.00884	3.0
87.04516	0.9
87.27283	0.1
89.02473	0.7
95.01387	1.4
97.02957	3.3
99.00892	6.9
99.04513	0.2
101.02447	3.4
103.04010	0.2
106.66668	0.2
109.02952	0.2
111.00858	0.3
112.01682	0.2
112.98784	0.3
113.02461	5.6
114.02822	0.2
115.00340	0.2
115.04033	1.1
119.03448	0.1
123.00854	0.2
125.02454	10.5
127.03999	0.2
129.01959	0.2
131.03514	2.6
133.02939	0.2
135.04538	0.4
137.02455	0.2
139.00406	0.3
143.03519	2.3
145.05055	0.4
151.04077	0.2
157.01404	0.5
159.03017	0.2
161.02423	0.2
161.04593	0.8
162.03046	0.1
163.06085	0.4
179.03546	0.3
205.07219	1.3
245.06689	0.2
247.08508	0.2
287.07736	0.4
325.09201	0.1
439.35953	0.4
465.37421	0.5
535.41809	0.2
561.25391	0.2
565.38965	0.5
574.02094	0.2
681.44012	0.2
833.50281	0.3
887.48584	0.4
895.51007	0.3
921.52582	0.5
1021.53619	0.3
1068.59424	0.2
1165.57947	1.4
1166.57495	0.3
1183.59119	100.0
1184.59424	24.0
1185.59009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01855	0.7
69.66830	1.9
69.67236	0.9
71.01371	0.5
73.02947	100.0
74.03291	3.2
98.20618	0.6
99.00876	8.0
99.92588	1.0
100.01206	0.4
111.61507	0.4
116.92858	2.7
117.01939	12.5
117.92867	0.5
118.02279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.5806
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	1.7
83.05019	1.2
85.02950	9.7
87.00879	2.4
87.93996	0.8
89.02455	3.4
95.01395	2.5
98.20676	1.7
99.00903	3.7
99.04514	1.0
101.02460	6.9
103.03986	1.6
109.02968	1.5
112.98802	2.0
113.02454	11.0
116.92857	1.8
119.03523	1.9
119.05048	1.7
125.02494	1.7
131.03535	0.9
134.03806	1.4
135.04535	3.7
136.04910	0.9
137.02437	1.4
143.03532	1.8
151.00284	0.8
161.04599	1.7
163.04022	1.2
163.06120	2.5
179.03598	2.6
193.96919	0.8
199.59180	0.8
235.41248	0.8
269.94141	0.9
282.01834	0.9
301.14368	0.8
318.28174	0.9
333.36633	0.8
471.35068	1.8
495.13739	1.0
509.36404	1.5
510.45572	1.0
541.39130	2.0
561.25037	1.3
841.38831	1.1
851.55890	1.1
910.94733	0.9
932.55603	0.9
1015.44360	1.2
1101.54431	1.7
1119.55933	100.0
1120.56213	19.8
1121.55994	1.4
1179.43188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.5863
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	4.4
85.02971	10.6
87.00883	7.0
88.83873	1.8
89.02451	8.4
95.01381	2.3
96.95972	1.9
97.02942	1.6
99.00875	9.1
101.02456	10.9
103.00320	1.8
103.04044	1.8
107.05014	1.8
107.42857	1.8
108.02187	1.8
109.02952	6.1
112.98811	8.2
113.02436	13.3
119.03539	3.6
119.05027	6.2
121.02919	1.9
123.04580	1.8
125.02472	2.6
133.02910	10.4
134.03740	5.3
135.04492	14.5
137.02428	5.2
143.03523	3.4
145.02953	3.4
149.00896	5.9
149.06110	2.0
150.03247	2.7
151.03973	2.0
161.02429	4.4
161.04582	3.5
163.04027	4.4
163.06200	2.4
165.05582	4.9
175.04013	3.7
177.01877	4.4
177.09227	1.9
178.02608	3.5
179.03458	7.3
181.05215	1.9
189.05605	1.9
191.03693	1.9
193.05136	2.6
195.06551	1.7
268.07361	1.7
282.05246	4.2
285.04004	2.1
293.03076	2.5
297.07773	2.7
453.33954	1.8
519.24579	2.3
531.28040	3.2
545.25574	4.7
561.25739	4.2
629.23260	2.6
667.44775	2.0
725.57666	1.8
784.41333	2.0
805.31238	1.8
875.00220	1.9
881.34460	1.8
951.41455	1.7
969.40765	2.6
974.50159	2.1
1013.41901	3.5
1031.44922	2.9
1103.56470	100.0
1104.56592	24.8
1105.57605	3.1
1119.50562	2.6
1163.41321	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	1161.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00877	16.4
88.01209	0.2
93.03454	2.1
93.03999	0.2
103.00374	22.9
104.00739	0.3
107.01382	0.4
108.02187	0.3
109.02953	0.6
112.98809	9.4
113.99151	0.2
117.03346	0.2
119.01507	0.2
121.02954	6.4
122.03738	5.1
123.04522	0.4
124.01676	0.3
125.02445	0.3
130.99863	11.9
132.00227	0.3
133.02953	0.6
134.03745	0.5
135.04523	2.2
136.01643	0.6
137.02406	0.7
147.04500	0.6
148.01654	0.3
149.00929	16.3
149.02437	25.2
150.03221	34.8
151.00395	1.0
151.03629	1.2
152.01155	3.6
163.02704	0.1
163.04001	3.3
163.05351	0.2
164.04790	13.0
165.01904	1.0
165.05560	42.7
166.05913	1.6
167.03458	0.9
169.05051	1.4
170.83923	0.1
178.99869	0.6
179.03583	0.1
179.07135	4.4
180.04276	3.1
193.01404	9.3
194.01799	0.2
195.06615	22.1
196.06976	0.9
207.03021	0.2
208.03749	21.7
209.04073	0.8
211.04033	0.2
223.06100	62.3
224.06438	2.6
227.03477	0.3
235.07681	0.2
237.05556	0.4
243.02992	1.1
249.05447	0.2
251.07156	0.2
254.02264	0.2
255.02986	3.4
256.03189	0.2
263.07227	0.3
265.05087	0.3
271.02466	8.0
272.02917	0.7
279.06580	0.2
280.07333	0.8
295.09674	0.3
300.02744	12.9
301.03409	3.7
302.03729	0.3
312.10028	0.8
327.12476	0.2
343.04419	0.2
357.13492	0.2
371.11331	4.9
372.11716	0.3
401.12482	0.5
419.13461	100.0
420.13797	8.2
499.74802	0.2
551.14069	39.4
552.14453	4.1
609.14594	17.2
610.15015	2.1
611.14691	0.3
746.63922	0.2
844.12256	0.2
1024.28235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.5649
Annotation	Unknow
Peak:m/z	Relative Intensity
82.45428	0.2
83.01393	1.5
85.02953	6.4
87.00899	1.4
89.02453	3.6
95.01394	2.1
97.02946	0.8
99.00890	3.4
101.02444	4.5
103.04000	0.6
112.98785	0.4
113.02453	7.8
115.04044	0.3
119.03514	2.0
123.80364	0.3
125.02443	1.3
128.21669	0.3
131.03545	0.5
135.04561	0.5
137.02316	0.3
139.00354	0.6
143.03502	1.2
149.00885	0.3
161.04599	0.7
163.06076	1.0
244.46004	0.3
439.35684	1.9
509.39935	2.6
510.40036	0.5
553.39172	0.8
599.39087	0.4
617.40607	1.0
820.96490	0.3
900.04913	0.3
941.51184	0.4
1069.55176	1.6
1070.56812	0.5
1087.56970	100.0
1088.57239	21.6
1150.54370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03480	0.1
82.62155	0.1
83.01395	2.2
84.01668	0.2
84.02169	0.2
85.02956	7.2
86.00120	0.2
86.42809	0.1
87.00880	1.1
89.02450	4.2
95.01391	2.8
96.96012	0.2
97.02958	0.9
99.00887	3.4
101.02450	4.7
101.95324	0.1
102.80097	0.1
103.04006	1.4
109.02940	0.2
111.00871	0.3
112.01665	0.4
112.80943	0.1
112.98828	0.2
113.02457	8.8
115.00363	0.3
119.03503	1.6
122.85606	0.1
124.43240	0.1
125.02458	1.3
125.03316	0.2
127.04049	0.2
131.03484	0.4
132.20210	0.1
135.04462	0.2
137.02428	0.2
138.47676	0.1
139.00359	0.3
143.03502	2.4
145.05075	0.3
150.03252	0.2
157.01456	0.3
159.03006	0.2
161.04550	0.9
163.06136	1.5
179.05623	0.4
218.41872	0.1
247.08147	0.5
271.04550	0.3
355.15616	0.2
423.33017	0.2
439.35730	2.3
440.36221	0.3
441.37555	0.2
485.36554	0.2
509.40039	2.8
510.40704	0.3
533.88770	0.2
553.38763	0.8
599.39740	0.3
617.40247	0.8
642.26782	0.1
713.43097	0.2
717.46606	0.2
857.37433	0.2
925.51660	0.2
941.50769	0.3
1069.55762	2.3
1070.57703	0.4
1087.56958	100.0
1088.57239	21.3
1150.56995	0.5
1151.56970	0.2
1164.16577	0.2
1167.41614	0.2
1177.20776	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	115.0038
Annotation	Fumarate
Peak:m/z	Relative Intensity
59.01390	1.5
62.80726	1.4
69.88667	6.3
71.01385	100.0
72.00923	1.7
74.02488	8.4
81.51464	1.3
115.00362	10.2
115.05243	2.4
115.05951	18.5
116.06014	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	115.0766
Annotation	cis-1,2-Cyclohexanediol
Peak:m/z	Relative Intensity
50.82985	1.6
58.39334	1.8
59.01373	2.4
65.90160	1.4
69.32835	4.0
69.33244	11.3
71.01382	5.0
71.05013	3.9
71.75660	1.5
97.93129	11.7
98.19890	2.6
99.92589	2.5
114.93409	29.9
115.04015	2.4
115.05975	19.0
115.07655	100.0
115.92057	3.2
116.02513	3.3
116.07175	10.2
116.07993	5.8
118.96586	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0562
Annotation	L-Proline
Peak:m/z	Relative Intensity
66.03487	2.5
69.67219	3.8
71.01393	1.7
82.05305	0.7
86.02474	1.3
98.20607	0.9
100.47646	0.6
101.79611	0.6
112.04100	0.9
114.05611	100.0
115.00420	0.6
115.05946	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	1141.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01414	0.5
85.02967	1.3
87.00883	1.1
88.98810	100.0
89.02437	0.9
89.99137	0.8
92.99061	0.3
95.01388	0.7
96.80667	0.2
97.02969	0.9
99.00881	1.1
101.02444	2.1
103.04002	0.3
113.02480	1.2
122.11820	0.2
125.02455	1.2
131.03503	1.0
131.26689	0.2
143.03468	0.8
156.37764	0.3
205.07137	0.7
300.29889	0.2
373.85596	0.2
465.38589	0.3
565.39142	0.5
1033.54102	0.8
1051.54834	48.0
1052.55176	11.1
1053.54822	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1133.5391
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01381	2.1
83.05029	10.6
85.02957	9.6
86.00116	0.5
87.00903	2.9
89.02446	5.6
93.03484	0.6
95.01375	3.3
96.09177	0.5
96.96004	1.1
97.02953	1.5
99.00885	6.7
99.04533	0.6
99.69129	0.5
101.02437	6.2
103.00395	0.5
103.03999	1.0
107.05061	0.8
107.64136	0.5
108.02195	0.7
109.02956	1.2
111.00909	0.6
112.98814	2.6
113.02451	11.0
114.02737	0.6
117.03450	0.7
117.99858	0.6
119.03503	1.8
119.05021	1.8
119.77753	0.5
121.02946	0.8
123.00935	0.6
125.02435	2.6
126.41453	0.5
129.01987	0.6
131.03473	1.1
132.02147	0.6
133.02988	1.6
134.03729	1.6
135.04541	12.6
137.02417	1.4
143.03499	2.2
145.02991	1.1
145.05022	0.6
148.60211	0.5
149.00888	1.5
149.02473	0.5
149.04601	1.1
149.06024	0.5
150.03206	0.8
157.01411	0.5
161.02444	3.0
161.04550	1.3
163.04019	1.7
163.06134	1.3
165.05612	0.7
166.02682	0.6
167.03529	0.6
175.03995	1.1
177.01976	0.6
177.05527	0.5
178.02614	0.5
179.03479	3.3
188.69795	0.6
193.05064	0.5
203.03598	0.6
215.64059	0.5
219.03000	0.7
227.12721	0.7
285.03812	0.7
313.07379	0.5
389.28336	0.9
405.31671	2.8
417.10403	0.8
487.34314	8.7
488.34949	0.8
519.24487	0.6
545.25220	0.7
555.36853	2.3
561.25848	0.8
569.34448	0.9
583.37268	0.7
601.37390	1.9
630.82983	0.5
645.19208	1.0
645.36389	2.9
705.28107	1.7
867.33203	1.4
941.51263	1.6
1071.55432	0.7
1089.40088	1.2
1115.52014	0.9
1133.53955	100.0
1134.54150	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	1130.5391
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03473	0.2
83.01398	1.3
85.02959	9.3
86.00101	0.8
87.00880	4.0
87.04516	0.9
88.01217	0.2
88.98798	0.1
89.02449	3.0
95.01399	2.0
97.02955	1.4
99.00890	5.9
99.04511	0.2
101.02456	4.8
103.04005	1.3
111.00877	0.3
111.04405	0.1
112.01653	0.5
113.02458	6.0
115.00371	0.2
115.04041	0.9
119.03513	1.0
125.02461	2.3
127.04005	0.2
131.03525	2.2
135.04579	0.1
139.00371	0.8
143.03517	3.7
145.05087	0.6
157.01476	0.7
161.04562	0.8
163.06180	1.0
205.07170	2.1
209.11786	0.1
551.37531	0.2
583.39874	0.2
611.41321	0.2
967.52502	0.3
1049.53455	0.6
1067.54382	100.0
1068.54736	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	1123.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03476	0.3
83.01379	1.9
84.02173	0.2
85.02951	8.9
85.96638	0.2
86.00065	0.2
87.00882	1.8
87.58176	0.2
89.02441	5.1
95.01379	2.9
96.19617	0.2
97.02928	0.9
99.00879	4.5
101.02442	6.1
103.04013	0.7
105.31212	0.2
111.00864	0.4
112.01675	0.4
112.98854	0.3
113.02448	9.4
115.00356	0.3
119.03500	2.4
125.02455	1.3
127.03939	0.3
131.03464	0.3
132.68723	0.2
135.04521	0.3
139.00368	0.4
143.03470	1.2
157.01416	0.5
157.04202	0.2
159.02995	0.4
161.04597	1.0
161.05699	0.2
163.04045	0.3
163.06088	1.3
179.05603	0.2
190.40216	0.2
247.08287	0.2
435.32501	0.2
439.35776	2.7
440.36157	0.2
485.35962	0.3
509.40012	2.7
510.39917	0.3
537.39795	0.2
553.39111	0.8
599.39465	0.4
617.40448	1.4
618.40619	0.2
925.51935	0.3
1069.55151	1.6
1070.56213	0.3
1085.55554	0.3
1087.56909	100.0
1088.57166	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	1123.546
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	0.5
82.05340	0.2
83.01388	2.8
85.02956	9.7
86.60140	0.2
87.00876	1.4
89.02447	5.6
90.44241	0.2
95.01394	3.5
97.02963	1.1
99.00883	3.6
101.02448	5.5
103.04003	1.5
106.17878	0.2
110.53484	0.2
111.00861	0.5
112.01656	0.3
113.02456	10.8
115.00327	0.3
115.04034	0.2
119.03511	2.2
125.02443	1.3
129.01965	0.2
131.03487	0.6
135.04488	0.3
139.00362	0.4
143.03510	2.9
145.05032	0.3
157.01416	0.3
161.04555	1.0
163.04010	0.2
163.06136	2.5
179.05556	0.3
179.78343	0.1
205.07188	0.2
214.24620	0.1
247.08264	0.2
271.04639	0.3
439.35791	3.1
440.35883	0.2
441.37103	0.2
485.36194	0.2
509.40082	2.9
510.40128	0.3
553.39001	0.8
599.39777	0.5
617.40576	0.8
717.45178	0.3
790.88403	0.2
801.57343	0.2
801.94507	0.2
925.51453	0.2
941.51135	0.4
948.41290	0.2
1025.57092	0.2
1069.56165	2.0
1070.54993	0.3
1087.56946	100.0
1088.57275	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	1123.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95904	61.1
87.00876	0.5
96.96959	4.8
116.92825	0.4
127.13280	0.3
150.98013	0.9
152.99588	63.9
153.99951	0.7
171.00639	18.4
227.03282	4.0
245.04301	83.3
246.04662	1.8
253.21713	42.1
254.22075	2.3
435.82410	0.3
481.25702	100.0
482.25998	7.6
719.48010	0.4
795.22644	1.3
1123.48938	19.0
1124.48999	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	1120.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	1.6
84.02158	0.2
85.02959	8.9
87.00876	0.9
89.02454	5.2
89.02934	0.1
93.03512	0.1
95.01402	2.6
97.02968	0.3
98.19881	0.2
99.00892	4.9
101.02451	5.0
103.03995	0.4
106.11518	0.1
111.00892	0.4
112.01706	0.3
113.02459	8.0
114.02813	0.2
115.00387	0.2
119.03504	2.1
131.03505	1.3
135.60423	0.1
137.02467	0.1
139.00349	0.3
141.69373	0.1
143.03482	0.4
154.57068	0.1
157.01439	0.4
159.02994	0.3
161.04562	0.6
163.06140	0.3
173.93008	0.2
179.05627	0.4
256.69974	0.1
278.26096	0.1
389.28723	0.1
423.32440	0.2
439.35883	2.8
440.36218	0.3
441.37714	0.2
509.39990	3.4
510.39969	0.3
537.39301	0.2
553.38953	0.7
599.39502	0.3
617.40643	0.4
911.49445	0.2
1039.55066	2.1
1040.55835	0.4
1057.55969	100.0
1058.56213	19.0
1120.54956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1120.554
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03442	0.2
83.01374	1.1
85.02951	8.3
86.00083	0.7
86.23675	0.2
87.00876	3.1
87.04514	0.7
89.02457	1.6
93.03579	0.2
95.01395	1.2
97.02919	0.3
99.00883	5.3
99.04490	0.5
101.02450	2.3
101.06058	0.3
103.04005	0.5
109.02919	0.4
111.00854	0.3
112.01648	0.3
112.98814	0.9
113.01688	0.3
113.02449	5.5
115.03999	1.0
119.03472	0.2
119.04985	0.5
121.02959	0.3
124.59833	0.2
124.80700	0.1
125.02441	0.3
131.03500	3.3
133.02953	0.5
134.03700	0.4
135.04526	0.9
136.04839	0.2
137.02440	0.3
139.00366	0.3
143.03490	2.3
145.02953	0.2
145.05040	0.6
147.04518	0.2
149.00896	0.4
149.04552	0.3
150.03203	0.3
151.03998	0.2
157.01398	0.6
160.03911	0.2
161.02380	0.5
161.04570	0.2
163.03986	0.4
163.06093	0.6
165.05505	0.3
177.01944	0.3
179.03482	0.5
205.07167	1.3
207.10277	0.2
219.02989	0.2
270.05249	0.3
285.04431	0.2
285.07687	0.5
286.08167	0.2
292.02539	0.2
421.31052	0.2
423.32562	0.4
439.31833	0.2
455.35138	1.1
457.36621	1.1
499.34000	0.5
501.35855	0.7
503.24539	0.2
519.24512	0.3
525.39313	0.9
537.36047	0.2
545.25623	0.2
555.37146	0.5
561.25946	0.5
569.37994	0.9
571.39917	2.6
572.40570	0.3
615.39001	1.7
729.61816	0.2
761.44659	0.2
911.51074	0.3
1039.54260	0.7
1057.55872	100.0
1058.56140	18.7
1120.57227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03471	0.3
83.01385	3.5
83.04541	0.1
83.05026	1.4
84.01723	0.1
84.02169	0.3
85.02950	15.3
86.00100	0.2
86.03302	0.3
87.00877	2.3
87.04520	0.9
89.02443	7.8
90.02766	0.1
93.03431	0.1
95.01386	5.1
95.05088	0.0
96.01735	0.1
96.19418	0.0
97.02950	1.7
97.06599	0.1
99.00880	6.6
99.04512	0.6
99.40775	0.0
99.98104	0.0
100.01205	0.1
101.02441	9.0
102.02759	0.2
103.00353	0.1
103.04006	2.1
107.01361	0.0
107.05048	0.1
108.02185	0.1
109.02956	0.3
111.00890	0.7
111.04517	0.1
112.01678	0.5
112.98824	0.2
113.02448	17.1
114.02782	0.3
115.00370	0.5
115.04008	0.3
117.01951	0.1
117.03474	0.1
119.03501	2.7
119.04984	0.2
121.02936	0.1
123.00890	0.1
123.04516	0.1
125.02446	2.1
125.03830	0.1
127.04014	0.4
129.01950	0.2
131.03500	0.6
133.02942	0.1
134.03725	0.1
134.33321	0.0
135.04504	0.3
137.02425	0.3
137.09683	0.1
139.00375	0.7
139.03998	0.1
141.01932	0.1
143.03502	3.5
144.03790	0.1
145.02972	0.1
145.05061	0.5
147.04492	0.1
149.00877	0.1
149.02463	0.1
149.04530	0.2
149.06064	0.1
149.37476	0.0
150.03207	0.0
151.04044	0.1
152.01204	0.1
155.03508	0.1
157.01419	0.5
159.03012	0.2
161.02483	0.1
161.04553	1.6
161.52910	0.0
162.03181	0.0
163.03941	0.2
163.06117	2.8
164.06482	0.1
165.01979	0.0
165.05539	0.1
167.03470	0.1
175.03955	0.1
179.03508	0.1
179.05580	0.8
191.03503	0.1
193.05092	0.1
195.06668	0.1
205.07079	0.3
209.04456	0.1
221.06573	0.1
223.06137	0.0
223.13399	0.1
247.08206	0.7
248.08380	0.1
257.06451	0.1
267.06668	0.1
271.04538	0.3
275.07703	0.1
289.09338	0.1
302.79446	0.0
307.10474	0.2
339.26883	0.1
367.12741	0.1
389.28253	0.1
405.31650	0.5
409.31085	0.3
411.32501	0.2
421.31332	0.1
423.32452	0.1
425.34439	0.1
437.30206	0.1
439.32202	0.8
440.32574	0.1
441.33740	1.1
442.34213	0.1
443.61035	0.0
451.32159	0.1
453.33914	0.2
455.35071	0.1
465.33572	0.1
469.33356	0.1
471.34772	2.6
472.35175	0.3
473.36301	1.5
474.36563	0.1
479.35236	0.2
485.33499	0.1
491.35254	0.1
493.37476	0.1
495.34692	0.1
507.34973	0.1
509.36325	1.5
510.36740	0.2
511.34311	0.1
517.35059	0.1
519.24133	0.1
521.36182	0.0
523.37750	0.2
525.36218	0.1
527.37720	0.1
531.24072	0.1
537.35925	0.1
541.38983	1.9
542.39392	0.2
543.36945	0.1
550.64655	0.1
555.36969	0.4
561.25031	0.2
569.38824	0.3
585.37952	0.2
586.38092	0.1
587.39313	0.3
613.37604	0.2
631.38367	0.7
632.38696	0.1
649.39502	1.2
650.39789	0.1
683.41376	0.1
749.32892	0.1
749.45081	0.2
895.51044	0.2
911.49115	0.1
939.48596	0.2
957.50848	0.4
958.51660	0.1
973.49548	0.6
974.50671	0.1
1057.56689	0.2
1101.54919	3.4
1102.55432	0.7
1119.55774	100.0
1120.56030	23.1
1121.55017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5601
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01377	1.6
85.02950	17.5
87.00880	3.7
89.02438	9.9
93.03478	0.5
95.01398	4.6
96.96017	0.7
97.02969	1.4
99.00880	8.6
99.04541	0.5
101.02444	9.1
103.00386	0.4
103.04015	1.4
106.74805	0.3
108.02158	0.6
109.02920	0.7
111.00888	0.7
111.04570	0.3
112.01659	0.6
112.98803	2.3
113.02451	14.8
115.00345	0.6
116.92920	0.4
116.99213	0.3
117.24966	0.4
119.03486	2.8
119.04972	0.8
121.02924	0.6
123.04572	0.3
125.02436	1.6
131.03494	1.4
133.02956	1.1
134.03720	1.3
134.33020	0.4
135.04532	2.6
136.04851	0.5
137.02435	1.3
139.00397	1.5
143.03485	2.2
145.02975	0.9
149.00954	0.7
149.02423	0.9
149.04539	2.4
149.05983	0.4
150.03203	1.4
151.03964	0.5
152.01140	0.7
157.01515	0.7
159.04451	0.4
161.02481	0.9
161.04559	1.7
161.09721	0.6
163.04005	1.3
163.06128	1.8
165.01944	0.5
165.05533	1.4
166.02681	0.5
167.03516	0.4
170.37738	0.4
175.04005	0.8
177.01872	0.5
178.02618	0.6
179.03462	1.8
179.05598	1.4
187.11383	0.9
189.09177	0.6
191.05641	0.9
193.05090	1.1
203.05597	0.6
205.12480	0.5
207.10245	0.5
219.02988	0.6
233.06696	0.5
247.08318	0.4
268.03720	0.5
283.06064	1.0
293.03052	0.9
297.11887	0.8
306.86774	0.4
335.09851	0.5
371.15103	0.9
387.14468	0.5
453.33487	0.4
503.24899	0.7
517.35492	0.4
529.22534	0.6
545.26093	4.7
547.24152	2.0
561.25244	1.2
575.21710	0.6
649.40070	1.0
812.95319	0.4
825.29340	0.5
940.75806	0.4
963.02777	0.6
1101.55347	3.0
1119.55933	100.0
1120.56287	19.3
1120.81738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	0.4
82.18385	0.2
83.01391	1.4
85.02950	15.1
86.00095	0.4
86.03286	0.4
87.00883	2.4
89.02444	6.8
95.01389	4.1
97.02930	0.8
98.20711	0.3
99.00882	6.5
101.02443	6.5
103.03994	0.9
109.02958	0.5
111.00874	0.4
112.01658	0.6
112.98796	0.7
113.02451	14.0
115.00377	0.5
115.03947	0.2
117.03458	0.3
119.03516	2.9
119.05046	0.3
121.02959	0.2
123.04440	0.2
124.00645	0.2
125.02448	1.2
129.01927	0.2
131.03485	0.7
134.03696	0.4
135.04500	1.1
137.02411	0.4
139.00363	1.1
143.03481	1.4
145.02954	0.4
145.05017	0.2
149.00964	0.2
149.06148	0.3
150.03221	0.8
157.01463	0.4
159.03011	0.3
161.02452	0.3
161.04520	0.8
163.03987	0.3
163.06166	1.4
165.05556	0.2
177.05595	0.2
179.03455	0.5
179.05562	0.6
219.10246	0.4
227.24557	0.2
233.06573	0.2
247.08215	0.5
286.08408	0.2
306.80130	0.2
306.94547	0.2
371.15106	0.9
391.29773	0.3
409.31430	0.2
425.34137	0.6
453.33936	0.4
469.33102	0.3
471.34689	0.4
473.36249	0.6
517.35150	0.5
525.14459	0.2
539.37219	0.3
541.37787	0.3
545.25439	0.4
554.70032	0.2
561.25482	0.3
575.21259	0.9
586.38464	0.3
587.39618	0.2
631.38354	0.4
649.39221	0.7
973.50140	0.4
987.44977	0.2
1101.54883	2.4
1102.54529	0.4
1117.56421	0.5
1118.57373	1.3
1119.55847	100.0
1120.56079	18.5
1121.57458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.544
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	0.3
83.01395	1.8
84.02161	0.3
85.02953	11.0
85.98568	0.2
86.00087	0.3
87.00879	1.8
89.02446	6.0
90.19900	0.2
93.03445	0.2
95.01392	4.2
97.02945	1.5
99.00887	6.0
99.04535	0.2
101.02445	5.8
103.04020	1.7
108.02152	0.2
109.02935	0.4
111.00872	0.5
112.01665	1.0
112.98836	0.2
113.02454	12.6
114.02763	0.4
115.00355	0.5
119.03498	2.2
119.04922	0.2
123.04464	0.2
125.02448	2.0
127.04023	0.4
129.01924	0.2
131.03496	0.3
134.55225	0.1
135.04507	0.7
139.00365	0.5
141.01953	0.2
143.03502	2.5
145.05046	0.3
149.04530	0.1
157.01414	0.5
159.03014	0.3
161.04523	0.9
163.04033	0.3
163.06123	2.2
179.03429	0.3
179.05623	0.4
205.07191	0.2
219.02916	0.2
247.08244	0.4
263.16605	0.3
271.04440	0.3
369.27756	0.2
404.67804	0.2
407.29565	0.2
409.31116	0.3
425.34326	0.2
437.30960	0.2
451.32007	0.3
453.33737	0.7
469.33331	2.5
471.34818	5.2
472.35226	0.5
499.34714	0.5
513.35809	1.3
514.35919	0.2
525.35706	0.4
536.18604	0.2
537.35925	0.5
539.37396	8.4
540.37817	1.0
553.35059	1.0
567.37238	0.8
583.36218	0.5
585.37976	7.2
586.38147	0.8
603.38831	1.0
627.35486	0.2
629.37006	3.6
629.47253	0.1
630.37103	0.8
645.18732	1.3
647.37994	0.9
729.42297	0.2
747.43457	1.7
748.43994	0.2
893.48596	0.5
909.48718	0.4
971.47998	0.3
1055.53503	0.3
1078.77747	0.2
1099.52698	1.0
1100.54016	0.3
1117.54346	100.0
1118.54480	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	1115.528
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03434	0.3
83.01402	1.7
83.05040	0.6
84.02180	0.3
85.02440	0.6
85.02954	10.7
87.00868	2.0
87.04490	0.4
89.02451	5.5
95.01398	3.9
97.02961	1.2
97.06558	0.3
99.00886	8.8
101.02455	5.4
103.04034	0.9
109.02979	0.6
111.00878	0.5
112.01678	1.0
112.98808	1.2
113.02454	10.8
115.00382	0.5
116.01176	0.5
119.03504	2.0
119.05037	0.4
121.02955	0.3
123.08131	0.6
125.02448	1.6
131.03456	0.4
133.02948	0.4
135.04524	1.4
143.03519	1.3
149.01001	0.4
149.04539	0.4
150.03188	0.5
157.01466	0.6
159.03038	0.6
161.04613	0.7
163.06102	1.0
165.05551	0.6
170.60468	0.3
171.10284	0.3
179.03426	0.9
179.05704	0.4
196.65324	0.4
201.11034	0.3
246.67136	0.3
248.79831	0.3
271.04880	0.4
293.03088	0.3
369.13400	0.5
370.14072	0.3
405.31497	0.4
409.31174	0.4
425.34268	0.7
451.32324	0.5
466.86768	0.3
467.31354	0.4
469.33224	4.5
470.33896	0.4
477.33615	0.4
493.36737	0.7
503.53354	0.3
511.34555	0.7
523.34283	0.4
537.35822	4.6
538.35583	0.3
539.37445	0.4
547.27429	0.4
551.33875	1.0
565.35645	0.6
567.33228	0.4
583.36469	7.4
584.36768	0.9
601.37817	0.8
627.35529	2.9
628.35529	0.6
645.18756	1.4
645.36798	0.8
691.39111	0.6
715.31226	0.3
727.40656	0.6
745.42010	1.2
798.44031	0.3
907.48792	0.5
925.50421	0.5
967.52179	0.6
985.53625	1.3
1027.54614	0.5
1097.52100	1.2
1115.52820	100.0
1116.52991	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	1115.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
80.17885	0.6
83.01396	4.0
83.04554	0.9
83.05029	10.8
85.02955	13.6
87.00864	3.4
89.02451	7.9
95.01390	5.2
96.95996	0.9
97.02969	1.3
98.19984	0.7
99.00878	7.9
101.02448	10.2
103.04013	2.0
112.98795	1.9
113.02453	15.9
119.03497	2.6
125.02409	2.3
131.03502	0.9
133.02956	1.4
134.03732	1.1
135.04495	2.6
143.03494	3.2
145.05058	0.9
157.03558	0.6
161.02443	0.8
161.04561	1.4
163.04031	1.0
163.06129	3.0
166.02672	0.5
177.01909	0.9
177.09372	0.5
179.03455	1.3
179.05629	0.7
254.05780	0.7
260.63010	0.6
282.05621	0.8
297.07513	0.9
323.10040	0.7
375.26990	0.6
405.31616	1.8
423.32690	1.5
474.10339	0.6
493.37173	0.7
547.28473	0.7
645.18774	1.0
951.53772	0.8
1037.53381	1.0
1055.55811	0.8
1071.51672	0.7
1097.55310	6.0
1098.55493	1.2
1115.52820	100.0
1116.53149	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	1115.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03480	0.3
83.01385	2.1
83.05025	0.6
85.02956	10.8
87.00880	1.9
89.02453	5.6
95.01388	4.1
97.02976	1.5
99.00883	8.4
101.02444	4.9
103.04023	1.4
104.78923	0.2
109.02980	0.3
111.00898	0.3
112.01659	0.6
113.02453	11.3
115.00360	0.7
119.03507	1.6
123.08163	0.5
125.02454	2.1
127.04050	0.2
131.03508	0.3
133.02927	0.3
135.04495	0.5
137.02420	0.3
139.00369	0.4
143.03493	2.1
145.04984	0.2
150.03220	0.2
155.03490	0.2
157.01416	0.4
159.02975	0.2
161.02522	0.2
161.04553	0.8
163.03970	0.5
163.06131	1.9
165.05542	0.3
167.03468	0.2
179.03543	0.2
179.05597	0.3
183.13966	0.4
188.42760	0.2
236.89906	0.2
247.08246	0.4
261.14868	0.3
369.13422	0.4
405.31503	0.7
407.29495	0.4
409.31049	0.7
423.32425	0.6
425.34293	0.8
451.32123	0.4
467.31686	0.6
469.33240	5.5
470.33820	0.4
477.33978	0.3
493.36743	0.8
511.34280	0.6
523.34363	0.4
537.35876	4.2
538.35626	0.3
539.37671	0.5
551.33728	0.9
565.35413	0.8
573.19763	0.4
583.36414	6.2
584.36664	0.7
601.37079	0.5
627.35272	3.8
628.35944	0.5
645.18878	1.6
645.36310	0.6
701.06171	0.3
745.41595	1.4
891.47321	0.7
907.48175	0.4
985.53876	0.4
1053.53076	0.5
1071.55200	0.3
1097.51697	0.7
1115.52795	100.0
1116.53003	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.5442
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03434	0.3
83.01384	1.6
85.02952	6.1
86.00097	0.6
86.03255	0.1
87.00877	3.3
87.04516	0.9
89.02449	3.2
95.01397	1.5
95.05058	0.1
97.02951	2.6
99.00890	5.1
99.04500	0.2
101.02449	4.7
102.02763	0.2
103.04012	1.0
111.00882	0.2
112.01681	0.2
112.24810	0.1
113.01683	0.3
113.02452	4.6
115.00368	0.2
115.04004	1.4
119.03515	0.8
125.02456	4.0
127.03983	0.3
131.03519	2.2
135.72606	0.1
139.00368	0.3
143.03513	2.8
145.05055	0.6
157.01407	0.5
161.04576	0.8
163.06143	1.0
166.49828	0.1
205.07156	1.8
208.02376	0.1
230.26671	0.2
233.06505	0.1
241.44789	0.1
247.08171	0.2
439.35468	0.2
465.37692	0.1
521.72113	0.1
565.38989	1.0
598.60931	0.2
611.12640	0.1
635.42963	0.4
717.46814	0.2
725.42798	0.4
768.17651	0.1
951.52765	0.2
1033.53674	1.5
1034.54224	0.3
1051.54834	100.0
1052.55151	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	15.9
58.25016	1.0
67.01889	24.1
68.02222	1.1
70.89801	1.3
70.90129	1.5
71.01381	3.9
71.85435	0.9
78.95902	100.0
79.95760	3.3
80.51549	1.0
83.01382	38.2
84.01708	2.1
84.04555	3.8
85.02948	1.1
102.64764	1.1
102.98293	1.0
110.97581	7.4
110.98473	2.2
111.00879	48.9
111.02063	2.9
111.04539	1.7
112.01228	3.2
112.04037	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75599	1.7
55.01882	21.1
58.27421	1.8
61.81926	1.6
61.94810	1.6
67.01891	62.4
69.45251	15.1
69.45643	3.9
71.01379	5.3
78.95905	48.2
80.36018	1.8
83.01390	49.8
84.04551	2.9
87.15541	1.8
88.89818	1.9
91.09266	1.7
98.19897	2.9
110.97571	4.2
111.00881	100.0
111.02076	5.0
111.04471	1.9
112.01256	5.2
112.04056	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	1111.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95915	0.4
81.25642	0.3
83.01380	0.3
83.15676	0.3
83.51823	0.3
84.53957	0.3
85.02966	1.8
87.00877	0.8
88.98813	100.0
89.02440	0.5
89.99170	0.6
95.01418	0.4
96.96024	0.3
97.02966	1.4
99.00315	0.3
99.00862	1.4
101.02478	0.5
113.02435	1.2
115.04028	0.3
125.02448	1.7
131.03511	0.9
143.03459	0.6
152.99606	0.4
156.26329	0.3
188.55402	0.3
209.11850	0.3
365.80374	0.3
369.70078	0.3
516.92725	0.3
565.39838	0.4
607.12384	0.3
631.07202	0.3
1003.53119	0.3
1021.53815	41.0
1022.54047	8.5
1023.54559	1.1
1111.42847	0.5
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
55.01879	7.5
67.01891	26.4
68.02208	1.1
69.49185	5.6
71.01401	2.1
78.95907	100.0
79.95725	1.0
81.28413	0.8
83.01388	20.0
107.15707	0.8
110.97595	1.2
110.98489	2.3
111.00884	44.6
111.04529	1.7
112.01235	2.7
112.04024	1.5
120.17827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03467	0.3
83.01383	1.5
85.02955	9.5
87.00877	1.8
89.02438	5.0
92.19074	0.2
93.45518	0.2
95.01395	2.1
97.02950	0.2
99.00880	5.4
99.04548	0.3
101.02451	5.4
109.02966	0.6
111.00880	0.4
112.01668	0.4
112.98792	0.9
113.02448	8.3
115.00360	0.3
119.03486	2.0
119.05028	0.4
119.45110	0.3
123.04479	0.3
125.02399	0.3
131.02519	0.3
131.03459	1.4
135.04514	0.7
137.02466	0.3
143.03491	1.0
149.00999	0.6
152.01123	0.3
161.02554	0.4
161.04561	0.4
163.04073	0.4
163.06142	0.6
179.03470	0.6
214.19212	0.3
269.34406	0.3
423.33176	0.3
435.39435	0.3
439.32309	0.3
455.35297	3.0
456.35764	0.4
457.36874	0.8
499.34497	0.3
501.35779	0.6
521.33423	0.4
524.17133	0.3
525.39545	3.1
569.38544	0.7
571.40265	0.5
615.38898	0.8
633.39978	0.6
740.58307	0.3
1055.53894	2.0
1056.56140	0.4
1073.55347	100.0
1074.55627	19.3
1109.57288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.7764
Annotation	Unknow
Peak:m/z	Relative Intensity
116.92838	0.1
135.86044	0.1
277.21750	0.5
291.23279	0.3
308.19223	0.1
319.22885	0.2
349.23697	0.1
362.84784	0.1
455.35062	0.1
457.36862	100.0
458.37198	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	1103.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.2
83.01392	1.6
84.02174	0.3
85.02955	14.6
86.00076	0.2
86.31286	0.1
87.00871	1.7
87.04498	0.2
89.02443	2.5
93.03471	0.2
95.01395	6.8
96.96013	0.3
97.02953	0.6
99.00889	6.1
99.04527	0.5
100.01162	0.2
101.02450	4.1
101.06065	0.3
103.00375	0.3
108.02169	0.4
109.02960	0.6
111.00884	0.6
112.01701	0.2
112.98814	0.7
113.02457	20.0
114.02798	0.2
115.00385	0.4
115.69081	0.2
119.03510	0.8
119.05006	0.5
121.02957	0.3
122.02485	0.2
123.04459	0.2
124.01646	0.2
125.02452	0.8
130.99854	0.3
131.03508	0.3
133.02966	0.3
134.03816	0.4
135.04546	2.2
136.01660	0.4
137.02412	0.5
139.00363	0.7
139.04024	0.4
143.03497	0.8
145.02931	0.4
145.05003	0.2
149.00926	0.8
149.02473	0.3
149.04552	0.3
149.06082	0.2
150.03261	1.6
151.03717	0.3
152.01100	0.4
157.01451	0.3
161.02458	0.4
161.04544	2.1
163.04010	0.7
165.05544	1.3
166.05939	0.3
167.03558	0.2
175.03951	0.3
178.02646	0.5
179.03563	0.9
179.05597	0.3
193.04984	0.2
223.13426	0.3
275.09341	0.3
283.06198	0.2
287.09192	0.7
288.09521	0.3
302.08194	0.4
303.08334	0.2
317.10287	1.2
318.10657	0.7
319.10886	0.2
373.97757	0.2
421.30768	0.2
423.32892	0.2
437.30731	0.5
439.32080	0.3
455.35422	1.1
457.36847	0.5
491.15945	0.3
491.35471	0.6
492.15738	0.2
493.16254	0.2
499.34232	0.3
501.35971	0.3
507.34805	0.4
509.36487	0.7
519.24487	0.4
521.16821	0.6
522.16846	0.5
523.17267	0.2
523.37830	0.5
525.39594	3.1
526.39899	0.5
537.32703	0.3
561.25464	0.7
569.38324	1.7
571.39447	0.3
743.43988	0.9
760.60797	0.2
761.45032	0.3
761.83435	0.2
941.51221	0.2
985.50671	0.2
1085.55701	1.0
1103.56482	100.0
1104.56677	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	1103.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03456	0.2
83.01384	2.1
84.02157	0.2
85.02952	11.9
87.00879	1.6
87.04507	0.3
89.02446	5.8
93.03489	0.2
95.01385	3.6
95.26842	0.1
97.02950	1.4
99.00879	5.8
99.04526	0.1
101.02448	6.1
102.02724	0.2
103.04024	0.8
108.02204	0.2
109.02961	0.2
111.00881	0.6
112.01681	0.6
113.02449	11.7
114.02826	0.2
115.00383	0.3
115.04034	0.2
119.03499	2.3
125.02442	1.6
127.04011	0.2
129.01974	0.2
131.03473	0.3
135.04558	0.3
139.00345	0.3
143.03545	1.2
157.01396	0.4
159.02995	0.6
161.04532	0.6
163.06136	1.2
165.05515	0.1
179.05598	0.6
203.06418	0.1
205.07118	0.2
247.08212	0.4
271.04736	0.1
310.03879	0.1
439.32373	0.4
453.33450	0.2
455.35349	3.3
456.35522	0.4
457.37039	0.8
501.35898	0.4
525.39465	2.7
526.39868	0.3
569.38556	0.6
597.37823	0.3
615.38959	0.4
617.39807	0.2
633.39911	0.9
634.40405	0.2
736.07135	0.2
783.93903	0.2
859.28149	0.2
879.51953	0.2
923.50092	0.3
941.51257	0.2
941.71442	0.2
957.50842	0.6
1041.55237	0.2
1085.55261	3.3
1086.55505	0.7
1103.56396	100.0
1104.56641	19.0
1105.58557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.5648
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.2
83.01392	1.6
84.02174	0.3
85.02955	14.6
86.00076	0.2
86.31286	0.1
87.00871	1.7
87.04498	0.2
89.02443	2.5
93.03471	0.2
95.01395	6.8
96.96013	0.3
97.02953	0.6
99.00889	6.1
99.04527	0.5
100.01162	0.2
101.02450	4.1
101.06065	0.3
103.00375	0.3
108.02169	0.4
109.02960	0.6
111.00884	0.6
112.01701	0.2
112.98814	0.7
113.02457	20.0
114.02798	0.2
115.00385	0.4
115.69081	0.2
119.03510	0.8
119.05006	0.5
121.02957	0.3
122.02485	0.2
123.04459	0.2
124.01646	0.2
125.02452	0.8
130.99854	0.3
131.03508	0.3
133.02966	0.3
134.03816	0.4
135.04546	2.2
136.01660	0.4
137.02412	0.5
139.00363	0.7
139.04024	0.4
143.03497	0.8
145.02931	0.4
145.05003	0.2
149.00926	0.8
149.02473	0.3
149.04552	0.3
149.06082	0.2
150.03261	1.6
151.03717	0.3
152.01100	0.4
157.01451	0.3
161.02458	0.4
161.04544	2.1
163.04010	0.7
165.05544	1.3
166.05939	0.3
167.03558	0.2
175.03951	0.3
178.02646	0.5
179.03563	0.9
179.05597	0.3
193.04984	0.2
223.13426	0.3
275.09341	0.3
283.06198	0.2
287.09192	0.7
288.09521	0.3
302.08194	0.4
303.08334	0.2
317.10287	1.2
318.10657	0.7
319.10886	0.2
373.97757	0.2
421.30768	0.2
423.32892	0.2
437.30731	0.5
439.32080	0.3
455.35422	1.1
457.36847	0.5
491.15945	0.3
491.35471	0.6
492.15738	0.2
493.16254	0.2
499.34232	0.3
501.35971	0.3
507.34805	0.4
509.36487	0.7
519.24487	0.4
521.16821	0.6
522.16846	0.5
523.17267	0.2
523.37830	0.5
525.39594	3.1
526.39899	0.5
537.32703	0.3
561.25464	0.7
569.38324	1.7
571.39447	0.3
743.43988	0.9
760.60797	0.2
761.45032	0.3
761.83435	0.2
941.51221	0.2
985.50671	0.2
1085.55701	1.0
1103.56482	100.0
1104.56677	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	1100.5287
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01396	1.3
85.02959	10.7
86.00079	0.9
86.03290	0.2
87.00887	3.3
87.04529	1.3
89.02456	1.7
93.48195	0.2
95.01395	2.2
97.02961	2.5
99.00242	0.3
99.00890	6.1
99.04510	0.2
101.02450	1.7
103.04012	0.7
111.00883	0.3
112.01626	0.4
113.02461	8.8
115.00371	0.2
115.04021	1.1
119.03513	0.3
125.02452	4.6
127.00418	0.2
129.01953	0.3
131.03514	3.1
133.02974	0.2
137.02438	0.2
139.00342	0.9
139.35379	0.2
143.03522	2.5
145.05066	0.5
157.01410	0.7
162.68446	0.2
163.06076	0.8
166.71307	0.2
205.07152	1.5
246.11450	0.2
247.08156	0.3
455.35568	0.3
520.52246	0.2
523.37573	0.3
535.38580	0.2
583.40076	0.5
627.39136	0.2
741.42255	0.4
937.51666	0.3
963.29370	0.2
1019.52655	1.1
1037.53333	100.0
1038.53564	16.6
1085.97583	0.2
1101.54895	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	110.0249
Annotation	Pyrrole-3-carboxylic acid
Peak:m/z	Relative Intensity
55.01883	2.8
66.03489	100.0
67.01893	5.2
67.03008	0.6
67.03824	3.9
68.01409	1.7
68.03358	0.4
68.99828	0.3
70.84014	0.7
70.84332	0.4
71.01390	1.1
78.95907	15.0
81.03461	0.5
82.02982	0.9
83.01387	8.3
83.05025	0.9
86.04350	0.3
110.02502	9.6
110.03329	1.3
111.00887	16.9
111.01986	2.0
111.02716	0.5
111.04533	2.3
129.56691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	0.5
83.01386	2.5
84.02171	0.3
85.02953	9.1
86.00111	1.5
87.00883	5.8
87.01421	0.4
87.04510	1.3
89.02451	3.1
92.10342	0.2
95.01398	2.8
96.99309	0.6
97.02972	0.5
99.00242	0.4
99.00887	7.3
99.04488	0.4
101.01768	0.4
101.02443	7.4
103.04021	1.0
111.00878	0.9
112.01630	0.5
113.02460	7.1
115.04032	1.5
119.03493	1.0
125.02500	0.5
129.01955	4.6
131.03500	3.5
139.00389	0.4
143.03510	3.8
145.05055	0.7
154.53740	0.3
157.01433	0.6
160.76134	0.3
161.04523	0.6
163.06142	2.0
175.03856	0.2
197.11850	0.9
205.07167	2.4
209.11829	0.5
247.08170	0.5
309.20670	1.3
311.22318	0.4
316.74728	0.3
343.63519	0.3
551.37537	2.2
621.41663	0.8
622.76892	0.3
681.43988	0.5
711.41180	0.3
725.42456	0.3
771.43469	0.8
786.39630	0.3
975.52997	0.6
1019.51782	1.4
1035.55164	0.4
1037.53320	29.2
1038.53625	4.6
1079.54297	2.7
1097.55383	100.0
1098.55725	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	1099.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
80.34472	0.1
83.01376	0.5
91.01905	0.3
93.03473	0.2
107.01392	2.0
108.02193	0.9
109.02973	1.1
119.01369	0.2
121.02969	1.5
123.00879	0.1
124.01637	0.2
125.02474	0.2
131.60281	0.1
135.00871	0.7
137.02412	0.2
148.01657	1.0
149.02390	0.3
151.00366	7.4
152.00774	0.2
159.04492	0.3
161.02518	0.2
163.00380	1.9
163.03969	0.2
164.01132	0.5
165.01913	0.2
169.01407	0.3
169.02771	0.1
171.04530	0.2
173.05991	0.1
175.03992	0.2
178.99850	3.6
182.03693	0.1
183.04453	0.5
185.06166	0.1
187.03900	0.6
188.04784	0.1
190.99838	0.3
192.00620	0.3
193.01346	0.2
198.03261	0.2
199.03944	0.7
200.04585	0.1
201.01967	0.2
201.05579	0.3
203.03479	0.4
205.05055	0.1
211.03949	1.1
213.01817	0.1
214.02599	0.2
215.03409	0.5
216.04240	0.4
226.02684	1.2
227.03491	2.5
228.03970	0.3
229.01379	0.2
229.05034	0.5
239.03503	0.3
243.02966	7.6
244.03462	0.6
245.04510	1.0
254.02209	1.6
255.02971	22.7
256.03387	1.1
257.04486	0.2
266.02176	0.2
268.93533	0.1
271.02463	46.1
272.02921	3.4
273.03955	0.9
283.02408	1.0
299.01950	1.2
300.02737	82.0
301.03458	30.1
302.03891	1.4
311.04056	0.1
343.04504	0.3
463.08768	1.8
463.14590	0.2
464.08926	0.1
505.09851	100.0
506.10181	8.5
549.09192	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	1097.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01377	0.4
83.83437	0.2
95.18525	0.2
98.19833	0.2
103.00387	0.4
106.01718	0.2
107.01379	1.1
109.02958	0.6
119.05006	0.7
121.02955	0.4
125.02441	0.2
130.99944	0.2
133.02977	0.5
134.03772	1.1
135.00891	0.2
135.04483	0.2
137.02428	0.3
145.02864	0.2
147.00903	0.3
149.00905	0.4
149.02451	0.2
149.06075	0.4
151.00369	4.6
153.01854	0.2
155.05037	0.2
159.04434	0.2
163.00331	0.4
169.01451	0.4
171.04475	0.3
175.00331	0.5
175.04015	0.3
175.40327	0.2
178.02713	0.4
178.99890	1.8
183.04488	0.4
187.04173	0.2
193.05084	2.7
199.03963	1.2
201.01987	0.4
211.04066	0.2
215.03528	1.0
216.93594	0.2
225.84262	0.2
226.02658	0.3
227.03519	1.8
242.02025	0.2
243.03000	3.1
254.02208	0.5
255.02946	3.5
256.03491	0.2
270.01538	0.3
271.02466	39.4
272.02817	2.6
273.03952	0.4
276.24319	0.2
282.01657	0.2
285.03836	0.3
299.01971	64.0
300.02707	26.7
300.05420	0.3
301.03506	25.1
302.03848	1.3
303.13995	0.2
313.03580	0.4
325.05615	0.9
342.03726	0.5
343.04401	1.2
462.08029	18.0
463.08688	3.3
595.68011	0.2
608.13800	0.4
609.14594	18.7
610.14844	1.6
771.19897	100.0
772.20209	12.6
822.16296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03441	0.2
83.01402	0.9
85.02954	9.0
86.00101	0.8
87.00877	3.7
87.04502	1.4
89.02442	1.9
89.92159	0.2
95.01382	1.6
96.95953	0.2
97.02955	0.3
99.00880	6.3
99.04517	0.7
101.02447	2.0
101.06045	0.2
101.07705	0.2
103.04010	0.6
109.02948	0.3
111.00883	0.4
112.01641	0.3
112.98798	0.8
113.02451	6.5
115.00382	0.3
115.04032	1.0
119.03532	0.3
119.05029	0.3
121.02922	0.3
122.06099	0.2
125.02414	0.3
129.01981	0.3
131.03513	3.0
133.02985	0.4
134.03722	0.5
135.04543	1.6
137.02446	0.6
139.00333	0.3
143.03497	2.6
145.02904	0.2
145.05086	0.7
149.00879	0.2
150.03203	0.3
152.01140	0.2
157.01421	0.5
161.02382	0.3
161.04501	0.3
163.04001	0.4
163.06067	0.5
179.03514	1.0
183.06442	0.2
191.05609	0.3
205.07104	1.2
270.05292	0.5
285.07526	0.4
293.03009	0.2
402.79993	0.2
423.32935	0.3
455.35406	1.2
457.36670	1.4
499.34033	0.2
501.35999	0.9
525.39771	1.0
545.26050	0.2
561.24731	0.3
569.38568	0.8
571.40033	2.9
572.39478	0.3
615.39008	1.8
616.39313	0.2
761.44916	0.2
762.85754	0.2
911.50220	0.2
1039.54871	0.7
1057.55896	100.0
1058.56201	18.9
1093.51611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	1.8
85.02952	10.6
87.00877	1.0
89.02448	5.0
95.01388	3.0
97.02960	0.4
99.00878	5.4
100.05470	0.1
101.02444	5.6
103.03967	0.2
106.01426	0.1
111.00849	0.3
112.01669	0.3
112.21783	0.1
113.02449	8.8
115.00333	0.3
115.04037	0.3
119.03502	1.9
125.02444	0.2
131.03514	1.4
135.04581	0.2
137.02446	0.2
139.00365	0.6
143.03459	0.4
149.04523	0.2
157.01421	0.6
159.02950	0.3
161.04530	0.4
163.06041	0.3
179.05626	0.4
205.07074	0.2
271.04175	0.2
391.26184	0.1
405.31900	0.1
409.30841	0.2
423.32269	0.2
439.35822	3.2
441.37161	0.2
483.34363	0.2
485.36371	0.2
509.39996	3.2
510.40210	0.4
547.23401	0.1
553.38770	0.8
565.91766	0.1
599.39276	0.3
617.40411	0.5
776.95691	0.2
862.76251	0.1
911.49310	0.2
1039.54443	1.7
1040.56079	0.4
1057.55872	100.0
1058.56189	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1090.5443
Annotation	Unknow
Peak:m/z	Relative Intensity
76.52853	0.2
83.01398	1.8
83.05061	0.2
85.02958	5.8
85.84105	0.2
86.00085	0.5
87.00884	2.8
87.04509	0.6
89.02448	2.2
95.01395	1.7
97.02945	0.4
99.00888	4.7
99.04501	0.2
101.02452	5.0
103.04005	1.0
109.02956	0.2
111.00890	0.3
112.01673	0.2
113.02451	4.2
115.00348	0.3
115.04000	0.9
117.44218	0.2
119.03504	0.7
125.02442	0.3
127.05901	0.2
131.03525	2.1
135.04512	0.4
137.02443	0.2
139.00366	0.2
143.03502	2.4
145.05067	0.4
147.04422	0.2
153.99149	0.2
157.01396	0.5
161.04515	0.5
163.06140	0.6
205.07124	1.5
224.53519	0.2
423.32462	0.2
439.35794	0.6
465.37335	0.6
491.35437	0.3
535.41888	0.3
543.40912	0.2
611.43207	0.4
625.41052	0.2
701.42938	0.6
727.37494	0.2
741.39886	0.2
951.53729	0.3
965.55542	0.4
1009.53778	1.2
1027.54883	100.0
1028.55066	18.6
1090.56079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
81.48608	0.2
83.01391	1.4
84.02114	0.3
85.02953	11.1
87.00859	1.5
89.02443	4.9
93.03487	0.2
95.01392	3.1
97.02934	0.4
98.20594	0.7
99.00879	8.0
99.73853	0.3
101.02444	4.5
103.03998	0.3
109.02939	0.3
111.00876	0.5
112.01656	0.9
112.98796	0.4
113.02456	9.4
115.00374	0.6
119.03504	1.4
119.05033	0.3
131.03497	0.9
135.04500	0.7
137.02438	0.3
139.00354	0.5
143.03539	0.3
157.01390	0.6
159.02986	0.3
161.04568	0.6
163.03999	0.3
166.02753	0.3
177.02014	0.2
179.05676	0.3
181.05087	0.3
183.64737	0.2
224.47171	0.2
247.08376	0.3
263.16602	0.4
368.51657	0.3
371.15320	0.3
415.79050	0.2
439.32095	0.3
453.33640	0.7
455.22845	0.3
469.33157	2.4
471.34708	5.5
472.35248	0.8
513.35614	1.3
519.24335	0.4
537.35699	0.8
539.37372	8.2
540.37958	0.9
553.35327	1.0
567.36810	0.6
583.36633	0.6
585.38037	8.7
586.38177	1.1
603.39246	0.9
615.17438	0.7
629.36829	2.3
647.37732	0.6
699.41205	1.0
717.42139	1.2
738.84186	0.2
747.23401	0.2
863.47797	0.5
879.47791	0.7
1025.53247	0.5
1063.08936	0.2
1069.52332	2.0
1070.52856	0.4
1087.53271	100.0
1088.53564	18.4
1089.52698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
76.16439	0.1
81.94257	0.1
83.01382	0.4
87.00872	0.1
91.01880	0.1
93.03429	0.2
107.01379	1.4
108.02181	0.6
109.02951	0.5
119.01401	0.2
121.02947	0.8
124.01658	0.2
125.02457	0.3
133.02937	0.1
135.00916	0.5
135.04498	0.1
137.02438	0.1
148.01674	0.8
149.00896	0.2
149.02428	0.2
151.00368	6.4
152.00639	0.1
153.01926	0.2
159.04480	0.1
163.00389	0.9
163.04004	0.2
164.01144	0.3
167.04939	0.1
169.01440	0.3
178.99864	2.9
179.03407	0.2
183.04518	0.2
187.03912	0.3
190.02582	0.2
190.99866	0.2
192.00572	0.2
198.03180	0.2
199.04027	0.7
200.04701	0.1
201.05550	0.1
203.03490	0.2
211.04016	0.5
215.03427	0.3
216.04219	0.4
226.02661	0.9
227.03491	1.5
228.04007	0.2
229.04979	0.4
230.99458	0.2
239.03375	0.3
243.02966	6.4
244.03464	0.5
244.59016	0.1
245.04472	0.5
254.02144	1.3
255.02971	17.5
256.03391	0.9
271.02460	36.6
272.02908	3.0
273.03903	0.4
283.02496	0.5
299.02087	0.8
300.02734	77.2
301.03421	21.4
302.03717	1.2
343.04639	0.8
448.90884	0.1
487.35287	0.1
609.14563	100.0
610.14911	11.2
611.15033	1.3
837.55963	0.1
859.13055	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	1085.554
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00875	6.7
75.08810	0.2
81.03493	0.2
83.01391	2.6
85.02956	12.4
86.00097	0.7
87.00880	3.3
87.04527	0.8
88.98807	0.2
89.02442	4.6
95.01392	3.6
96.96001	0.2
97.02949	0.9
98.19772	0.3
99.00883	6.7
99.04475	0.2
101.02444	5.8
103.04012	1.4
108.96278	0.2
109.02902	0.2
111.00879	0.9
112.01657	0.7
113.02459	10.9
115.00399	0.2
115.04055	0.5
119.03496	1.3
125.02447	0.9
129.02003	0.2
129.84128	0.2
131.03499	1.5
133.02974	0.2
139.00371	0.4
143.03497	2.9
143.43509	0.2
145.05069	0.4
149.00961	0.3
157.01384	0.5
161.04512	0.9
161.08231	0.2
163.06123	1.2
179.03378	0.2
179.05652	0.3
205.07169	0.7
213.73515	0.2
230.04883	0.2
247.08366	0.5
285.35660	0.2
290.39648	0.2
358.60468	0.2
372.89169	0.2
377.32553	0.2
409.31177	0.2
437.34109	1.3
455.35364	1.0
499.34351	0.3
507.38293	1.4
597.38599	0.3
615.38879	0.3
939.50916	0.5
1049.53662	1.0
1067.54590	2.9
1068.54773	0.3
1085.55322	100.0
1086.55725	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	1085.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00876	3.1
81.09863	0.2
83.01381	1.6
83.05031	0.6
85.02950	11.2
86.00085	0.3
87.00874	1.6
89.02451	4.0
93.03423	0.3
95.01391	3.7
96.95979	0.3
97.02987	0.5
97.06583	0.2
99.00883	9.7
101.02438	3.7
111.00906	0.5
112.01643	1.1
112.98818	0.5
113.01686	0.5
113.02450	9.4
115.00354	0.5
119.03498	1.5
123.08160	0.7
125.02493	0.3
131.03484	0.9
133.02928	0.6
134.03629	0.3
135.04533	0.4
137.02458	0.6
139.00365	0.3
143.03517	0.3
149.00893	0.4
157.01445	0.6
161.04549	0.4
163.04039	0.3
163.06151	0.3
177.01775	0.3
179.03519	0.4
179.05524	0.3
318.71173	0.3
351.55487	0.3
367.26193	0.3
369.28549	0.3
391.30084	0.4
405.31525	0.4
409.31128	1.0
421.30853	0.3
423.32654	0.5
425.34192	1.0
437.30356	0.3
451.31949	0.3
467.31705	0.8
469.33240	5.5
470.33566	0.5
477.33508	0.4
493.36874	0.9
511.34219	0.7
523.34210	0.4
537.35822	5.4
538.36194	0.6
539.37280	0.6
551.33716	1.2
565.35126	0.7
583.36414	4.9
584.36493	0.8
601.37488	0.7
615.17493	1.2
627.35339	2.3
628.36157	0.3
645.36450	0.7
697.39478	0.7
715.40735	2.0
861.46539	0.9
877.46503	0.8
879.46417	0.3
926.05615	0.3
935.45892	0.5
1023.52148	0.5
1067.50574	1.4
1070.47070	0.3
1085.51697	100.0
1086.52014	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1084.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00873	4.7
81.03440	0.2
83.01400	1.7
83.61227	0.1
84.02145	0.1
85.02953	7.6
86.00101	0.7
86.03320	0.1
87.00874	3.1
87.04525	1.0
89.02442	1.6
95.01396	1.6
97.02954	4.0
99.00885	5.8
99.04537	0.2
101.02446	1.9
103.03997	0.6
103.07033	0.1
110.70715	0.1
111.00858	0.2
112.01681	0.2
113.02451	4.8
115.00364	0.3
115.04004	1.3
119.03477	0.2
123.00800	0.1
125.02448	7.6
131.03500	3.5
135.09875	0.1
139.00459	0.2
143.03499	2.8
145.05064	0.5
157.01398	0.4
163.06119	0.6
205.07147	1.4
210.76465	0.1
220.14020	0.1
230.23076	0.1
439.35837	0.1
465.37036	0.3
565.39032	1.1
566.39539	0.2
567.40576	0.2
607.00787	0.1
635.43195	0.3
681.43420	0.4
725.43152	0.2
921.51965	0.4
1003.53210	0.8
1004.53033	0.1
1021.53748	100.0
1022.53943	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	1083.355
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01405	0.7
87.00881	2.8
98.19848	0.4
103.00371	0.6
104.00705	0.2
107.01369	1.7
108.02165	0.7
109.02964	1.2
112.98826	0.4
119.01352	0.2
121.02951	1.1
127.00369	0.6
129.84097	0.2
130.99849	0.4
133.02942	0.9
134.03745	0.7
135.00880	0.6
135.04527	15.9
136.04849	0.6
137.02448	0.5
139.00371	0.4
145.02910	0.4
146.03766	0.3
147.04533	0.5
148.01678	0.7
149.00920	14.9
150.01277	0.3
151.00372	7.5
159.04509	0.3
161.02432	1.9
163.00386	1.3
163.03990	1.1
163.92070	0.2
164.01120	0.3
169.01436	0.5
173.02405	0.3
177.05528	0.2
178.99919	3.8
179.03494	16.8
180.03813	0.6
183.04520	0.3
184.68384	0.2
187.03999	0.5
190.99794	0.3
191.03517	1.0
192.00639	0.3
197.28545	0.2
199.03934	0.6
211.03935	0.7
213.01875	0.2
215.03503	0.4
216.04251	0.4
219.02997	2.6
226.02686	0.8
227.03470	1.7
228.04100	0.3
229.04974	0.3
231.03017	0.7
243.02974	5.4
244.03514	0.5
245.04446	0.7
254.02119	1.2
255.02977	15.8
256.03299	1.1
257.04480	0.2
271.02472	35.0
272.02960	2.8
273.03992	0.7
283.02484	0.7
293.03046	4.3
294.03342	0.4
297.07529	0.3
299.02066	0.9
300.02744	66.1
301.03476	26.8
302.03778	1.7
311.04077	16.9
312.04382	1.0
343.04703	0.6
473.07321	1.8
474.07358	0.4
609.14581	100.0
610.14899	12.5
611.15344	1.1
1106.55078	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00879	4.4
83.01396	2.2
85.02958	7.7
86.00105	1.3
87.00877	4.4
87.04526	1.1
89.02439	3.4
95.01366	2.0
97.02929	0.6
99.00885	7.3
101.02456	5.7
103.04011	1.1
111.00890	2.0
111.04489	0.8
113.02454	5.8
115.04002	1.5
119.03518	0.8
125.02480	0.9
131.03508	2.7
133.03004	1.4
140.01193	0.7
143.03485	3.4
145.05006	0.7
154.06236	0.9
155.03526	1.0
158.25769	0.5
163.06143	1.5
177.01944	0.9
179.03503	0.5
205.07155	1.9
209.11751	0.7
217.72307	0.4
439.35623	0.5
465.37836	0.4
488.28537	0.4
595.39807	0.9
679.36469	0.4
755.44250	0.7
863.52118	0.9
925.50677	0.7
1049.53503	0.6
1063.54980	3.0
1064.56360	0.7
1081.55872	100.0
1082.56262	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	1081.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
74.78317	0.1
74.86313	0.2
75.00874	4.4
75.43265	0.1
76.40398	0.2
79.01927	0.2
81.03436	0.1
82.40176	0.2
83.01383	1.5
83.03397	0.1
85.02950	6.3
86.00084	0.9
87.00880	3.9
87.04523	1.0
89.02444	3.0
89.48524	0.2
93.03433	0.2
95.01389	7.0
96.01728	0.2
97.02950	0.9
98.20640	0.2
99.00880	6.9
99.04538	0.2
101.02445	4.7
103.04006	0.9
109.02914	0.2
111.00864	0.6
111.04522	0.3
113.02449	5.0
115.00361	0.2
115.04007	1.0
119.03517	0.8
119.05087	0.2
123.00886	7.6
124.01247	0.2
125.02459	1.2
127.04031	0.2
129.01947	0.2
131.03506	1.9
133.02946	0.5
135.04565	0.2
137.02469	0.2
139.00380	0.2
140.01122	0.2
141.01953	1.4
143.03503	2.6
145.05049	0.4
147.04449	0.2
149.00911	0.2
157.01410	0.4
161.04568	0.6
163.06125	1.2
171.10320	0.2
177.01936	0.3
205.07175	1.9
214.36993	0.2
247.08228	0.4
274.53400	0.1
301.77631	0.2
309.20618	0.2
439.35751	0.4
565.12903	0.2
705.40454	0.2
723.41113	0.4
907.50934	0.2
913.57001	0.2
978.52496	0.5
987.53766	0.4
1031.51868	2.1
1032.52295	0.4
1049.53247	100.0
1050.53552	20.7
1081.55591	1.7
1082.55164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
78.00705	0.2
83.01388	1.4
83.05025	0.5
85.02953	4.4
87.00889	0.9
89.02445	6.8
93.03454	0.2
95.01390	1.3
97.02949	0.7
99.00887	10.3
101.02451	6.7
111.00909	0.2
112.01657	0.7
113.01687	0.4
113.02458	6.9
119.03506	1.7
119.04968	0.3
121.06616	0.3
121.10226	0.4
121.33970	0.2
123.08170	7.0
124.08489	0.3
125.02448	1.3
129.01990	0.3
131.03525	1.3
135.04541	2.0
137.02406	0.3
137.09726	1.6
143.03493	1.2
149.00914	1.7
149.04553	3.0
149.05730	0.3
155.03511	0.3
159.02966	0.6
161.02446	0.4
161.04570	4.2
163.11290	7.9
164.11632	0.3
173.09746	0.3
175.03850	0.2
179.03514	1.9
179.05591	1.0
182.94009	0.2
189.12859	6.6
190.13133	0.2
191.05624	2.3
203.05612	1.4
207.13899	8.4
221.06758	0.3
225.14972	0.9
233.06621	0.8
271.02481	0.2
293.03076	0.5
294.84521	0.2
311.04044	1.8
335.09872	0.6
361.07260	0.2
369.19296	0.4
387.20160	0.8
429.21399	1.8
501.23447	3.8
502.23697	0.6
519.24487	13.8
520.24969	1.4
561.25531	100.0
562.25873	10.1
563.26239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00870	5.8
83.01402	2.4
85.02953	13.0
86.99976	0.4
87.00879	2.0
89.02444	6.5
90.25184	0.4
95.01385	3.3
97.02917	0.4
99.00885	6.9
101.02441	6.1
103.03980	0.7
107.01639	0.4
111.00860	0.5
112.98810	1.3
113.02452	10.3
119.03550	1.7
121.02956	0.5
131.03476	1.3
133.02946	1.4
134.03691	0.5
135.04506	1.4
136.28680	0.3
137.02444	0.4
139.00385	0.5
141.63741	0.4
143.03464	0.7
149.00826	0.8
149.04466	0.4
150.03210	0.6
157.01346	0.4
159.02994	0.4
161.04552	0.9
163.06133	0.5
177.01915	0.7
178.02809	0.4
179.03452	0.9
179.05614	0.4
211.13417	0.4
227.12837	0.4
327.21539	0.5
437.34207	0.8
455.35303	1.7
525.39404	2.2
561.25543	0.6
569.37830	0.6
673.11078	0.4
815.04559	0.4
830.48846	0.5
941.40784	0.7
1055.54102	3.3
1056.54431	0.8
1073.55493	100.0
1074.55798	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	1073.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00873	5.5
80.05080	0.1
83.01377	1.6
84.02171	0.2
85.02952	14.3
86.00074	0.2
86.03323	0.2
87.00876	1.4
89.02444	3.7
91.25419	0.2
93.03442	0.3
95.01388	3.2
96.95999	0.3
97.02957	0.4
98.34337	0.2
98.45176	0.2
99.00880	7.4
99.04510	0.6
101.02442	4.9
101.06082	0.3
103.00390	0.2
108.02139	0.2
109.02988	0.3
111.00900	0.4
112.01653	0.4
112.98808	0.8
113.02451	10.0
114.02781	0.2
114.93394	0.3
115.00370	0.6
119.03515	1.3
119.04980	0.4
121.02959	0.2
123.04527	0.2
125.02457	0.4
129.01901	0.2
131.03508	1.4
133.02934	0.3
134.03773	0.3
135.04527	0.7
137.02417	0.4
139.00308	0.9
143.03479	0.7
145.02950	0.5
145.05067	0.3
149.00932	0.5
149.04526	0.2
150.03227	0.3
153.05566	0.2
157.01411	0.6
161.02530	0.2
161.04556	0.3
162.02933	0.2
163.03983	0.2
165.05576	0.3
177.01912	0.4
179.03485	0.4
179.05612	0.5
187.25050	0.1
188.04726	0.2
283.13815	0.2
300.02731	0.2
317.10217	0.2
421.30969	0.3
423.32755	0.4
437.30588	0.5
441.33905	0.2
455.35291	0.9
457.36859	0.8
479.35098	0.2
491.35239	0.6
499.34381	0.2
501.35983	0.6
507.34775	0.6
509.36380	0.9
523.37744	0.6
525.39575	3.3
526.39679	0.4
537.36359	0.2
553.35626	0.2
555.36676	0.3
569.38434	2.3
570.38635	0.4
571.40356	1.5
615.38568	1.0
671.45386	0.4
671.94250	0.2
717.29700	0.2
743.43616	1.2
761.45569	0.3
779.45685	0.3
893.48230	0.2
911.50525	0.3
957.50806	1.3
958.51196	0.4
1011.54376	0.3
1055.54260	1.8
1056.54895	0.4
1073.55334	100.0
1074.55725	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	1073.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	6.0
81.03458	0.2
83.01384	2.3
85.02953	13.5
86.03294	0.2
87.00872	1.6
87.04485	0.2
89.02448	6.4
90.02782	0.1
93.03458	0.2
95.01389	3.6
97.02956	0.4
97.06567	0.1
99.00880	7.0
99.04486	0.2
101.02447	6.7
103.04000	0.5
107.63818	0.1
111.00868	0.5
112.01638	0.4
112.98785	0.2
113.02451	10.1
114.02767	0.2
115.00346	0.3
115.03973	0.3
119.03503	2.1
120.31939	0.1
121.02923	0.1
125.02451	0.2
125.38962	0.1
129.01923	0.2
131.03526	1.2
131.87964	0.1
133.02966	0.5
135.04475	0.2
137.02399	0.3
139.00368	0.4
143.03511	0.8
157.01390	0.5
159.02965	0.3
161.04526	0.5
163.06126	0.5
177.01895	0.2
179.05577	0.4
183.13945	0.1
272.49655	0.1
421.31250	0.2
423.32883	0.2
439.32199	0.4
455.35300	3.5
456.35571	0.4
457.36868	0.9
467.22900	0.1
499.33597	0.2
501.35864	0.5
502.35904	0.2
525.39526	3.2
526.39758	0.4
553.38318	0.2
555.37268	0.1
569.38470	0.4
571.40222	0.7
615.38983	0.6
633.39880	0.5
682.14966	0.1
770.90747	0.1
865.49353	0.2
927.48895	0.4
958.94049	0.1
1055.54285	4.1
1056.55432	0.8
1073.55310	100.0
1074.55701	22.0
1075.56482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
74.44273	0.1
75.00876	6.6
77.63877	0.1
81.03446	0.1
83.01389	2.5
84.02161	0.2
85.02954	15.2
86.00105	0.1
86.03297	0.2
87.00879	1.7
87.04518	0.2
89.02446	7.0
90.02819	0.1
93.03461	0.1
95.01393	4.0
97.02958	0.7
99.00884	8.0
99.04523	0.3
100.01239	0.1
101.02448	7.8
101.06113	0.1
102.02791	0.1
103.04007	0.4
106.20592	0.1
108.02176	0.1
108.56837	0.1
109.02937	0.2
109.21361	0.1
111.00880	0.5
112.01670	0.4
112.98843	0.1
113.02454	10.8
114.02748	0.1
115.00346	0.4
115.04021	0.2
119.03508	2.6
120.03862	0.1
121.02979	0.1
125.02421	0.3
127.04022	0.1
129.01976	0.2
131.03508	1.6
133.02962	0.5
135.04559	0.2
135.06262	0.1
137.02446	0.3
139.00388	0.5
139.04022	0.1
143.03523	0.7
145.05078	0.2
149.04544	0.1
157.01424	0.6
159.02972	0.3
161.04541	0.6
163.06140	0.4
177.01935	0.3
179.03413	0.2
179.05666	0.4
205.07112	0.2
210.36748	0.1
215.05527	0.1
312.70404	0.1
369.27673	0.1
409.31580	0.1
419.33209	0.2
421.31287	0.1
423.32715	0.3
436.40445	0.1
439.32150	0.7
453.33609	0.1
455.35306	4.0
456.35715	0.4
457.36731	0.8
483.31360	0.2
499.34470	0.4
501.35861	0.5
502.36249	0.1
525.39539	3.1
526.39636	0.5
527.37408	0.1
553.38885	0.1
555.37115	0.2
561.25238	0.1
569.38635	0.7
571.40161	0.7
597.37622	0.1
609.69415	0.1
615.38837	0.7
633.40314	0.5
682.36047	0.1
747.44006	0.1
849.50134	0.1
897.41016	0.2
927.49353	0.3
941.40674	0.2
1011.54633	0.1
1055.54236	4.1
1056.54077	0.8
1073.55310	100.0
1074.55676	21.6
1075.55334	0.2
1078.46887	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00873	5.5
83.01385	2.3
85.02951	14.9
86.07397	0.3
87.00883	1.9
89.02439	6.1
95.01398	3.9
96.00993	0.3
97.02962	0.6
99.00884	7.4
101.01773	0.4
101.02444	7.0
111.00912	0.6
112.98794	0.4
113.02447	11.0
115.00357	0.6
121.02994	0.3
131.03505	1.1
139.00322	0.7
143.03467	0.8
154.99193	0.3
157.01326	0.4
159.02972	0.4
161.04529	0.7
163.06140	0.5
167.00272	0.4
179.05623	0.4
201.56511	0.3
336.43030	0.3
348.15726	0.3
452.35724	0.3
453.33810	4.5
454.33923	0.7
455.35397	1.3
502.25156	0.4
523.37927	2.6
567.36572	0.7
569.38666	0.7
631.38470	0.5
716.74158	0.3
925.48480	0.4
1009.53693	0.6
1053.52710	4.8
1054.52161	0.6
1071.53784	100.0
1072.54126	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03436	1.3
85.02951	2.9
85.43467	0.7
87.00880	2.6
89.02450	1.5
93.03456	5.7
95.01387	1.7
95.05025	1.5
96.96004	1.2
98.19920	2.0
99.00885	1.3
101.02467	1.8
103.00379	1.1
104.68140	0.8
107.05010	1.0
108.02142	2.2
109.02948	8.9
111.00915	1.2
112.98792	5.5
113.02442	1.7
114.51391	0.8
116.92898	0.9
119.05030	2.7
121.02953	11.7
122.03766	16.6
123.00880	3.7
123.04511	3.0
124.01680	1.9
125.02406	1.7
126.01364	0.8
132.02196	1.2
133.02954	3.9
134.03722	3.0
135.04521	7.9
136.01663	3.4
137.02452	23.5
137.43758	1.1
138.03227	1.3
139.00400	1.8
139.04001	1.3
143.03400	0.9
145.02922	4.4
146.03766	1.3
147.04489	2.2
148.01691	1.0
149.02443	40.9
149.06062	4.7
150.03224	100.0
151.00383	12.5
151.03998	8.2
152.01117	3.8
152.04796	4.9
153.01915	1.5
153.05566	1.7
159.04518	2.5
161.02423	3.7
161.06119	1.6
162.03183	2.8
163.03993	3.0
164.04787	8.6
165.05568	80.2
166.02713	38.0
166.05745	4.0
167.03493	5.5
173.02370	0.8
175.04005	5.3
176.01120	1.3
176.04744	2.0
177.01938	3.2
177.05544	4.6
178.02693	3.5
179.03523	6.5
179.07117	6.5
180.04237	5.7
181.05064	46.5
182.05418	1.6
184.03773	2.8
187.03970	5.3
189.05476	1.6
190.02637	1.8
190.06332	2.3
191.03481	3.8
191.07118	1.3
192.04254	1.7
193.05042	5.1
194.05775	1.4
195.06615	36.8
196.07011	1.4
202.06334	0.9
202.98155	0.8
203.03442	2.3
204.04124	0.8
205.05048	12.6
205.08734	1.2
206.05685	1.0
207.06621	2.6
209.08203	1.7
219.06577	2.2
220.03319	0.8
220.07402	7.3
221.08162	2.6
223.06062	1.4
235.09750	1.4
237.78616	0.8
266.05774	1.0
270.05182	1.0
275.09158	1.2
277.03540	1.8
281.07816	0.8
282.05276	2.1
285.07632	1.3
293.02982	1.2
297.07489	1.2
309.07843	0.9
312.06265	1.3
315.08649	2.8
317.10220	0.9
329.10336	4.0
339.08771	1.4
355.11761	1.7
356.12790	0.9
359.11340	1.2
371.11209	2.3
372.12009	2.4
386.13699	1.6
387.10098	7.6
387.15091	9.4
402.13153	7.2
403.13910	4.2
416.14645	1.4
417.15521	31.9
418.15906	2.7
471.16446	1.9
520.17426	2.0
535.16541	5.5
549.17249	1.1
550.17981	4.4
551.18518	1.7
557.16101	1.0
565.20776	65.5
566.21423	6.3
577.20642	1.8
579.22632	1.3
595.21960	9.3
597.23511	3.8
613.22900	11.3
614.22839	1.6
626.23529	4.9
627.24481	32.3
628.24628	5.2
681.25385	3.3
775.29669	67.5
776.29980	11.6
787.29614	1.3
805.30731	15.2
806.31287	3.2
823.31799	32.7
824.32880	3.9
899.45654	0.9
1071.56555	3.4
1079.99170	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00875	4.9
80.66022	0.6
83.01400	1.6
83.98565	0.5
85.02959	7.7
86.00117	0.8
87.00887	4.6
87.04531	1.4
89.02466	2.7
95.01386	2.3
96.99327	0.6
97.02958	0.6
99.00880	6.2
101.02448	5.7
103.03978	0.7
109.02946	0.8
113.02457	4.8
115.04022	1.2
119.03477	0.7
125.02448	0.9
129.01958	1.4
131.03514	2.7
133.02966	0.7
137.02467	0.6
143.03525	3.1
145.05026	0.6
163.06160	1.5
205.07182	1.7
247.08083	0.6
273.76981	0.5
293.21149	0.6
352.63565	0.6
457.30377	0.6
583.40033	1.9
653.44714	1.2
743.44263	1.1
919.46759	1.1
930.73907	0.6
1034.17944	0.7
1051.55823	3.8
1069.55872	100.0
1070.56287	18.5
1080.10352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00877	4.2
80.85426	0.2
81.03458	0.6
83.01398	2.5
85.02958	9.1
86.00091	1.0
87.00882	4.6
87.04543	1.3
89.02451	3.8
95.01403	2.9
96.96027	0.5
97.02953	0.8
99.00891	9.4
99.04495	1.1
101.02458	6.2
103.04009	0.9
108.02170	0.2
109.02961	0.3
111.00893	0.6
112.01685	0.3
112.98817	0.4
113.02464	6.9
115.00404	0.3
115.04010	1.2
116.92846	0.3
119.03487	1.1
119.05003	0.4
125.02466	1.6
129.01936	0.4
131.03499	2.4
133.02907	0.3
135.04488	0.7
137.02448	0.4
139.00359	0.4
139.03864	0.2
143.03510	3.0
145.05029	0.5
149.04645	0.2
152.01176	0.2
157.01401	0.7
161.04515	1.1
163.06120	0.7
170.06230	0.2
177.02000	0.3
178.02544	0.3
179.03490	0.3
195.76445	0.2
205.05414	0.3
205.07133	1.6
254.08376	0.2
439.35675	0.5
465.37381	2.7
466.37878	0.3
481.31924	0.3
494.28088	0.3
511.37863	0.3
521.00836	0.2
535.41724	0.5
625.40131	0.2
653.44250	0.3
725.42035	0.4
743.43909	2.1
744.44330	0.3
854.06195	0.3
861.62701	0.3
951.53003	2.0
952.54260	0.3
1007.55414	0.6
1051.55029	2.4
1052.54431	0.5
1067.54346	0.9
1068.54626	2.0
1069.55811	100.0
1070.56201	19.7
1071.56091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00861	5.3
76.06463	1.3
83.01386	2.7
85.02956	11.1
87.00884	6.2
87.04509	1.4
88.04616	1.5
89.02446	5.3
89.83994	1.3
94.48737	1.4
95.01379	3.6
99.00887	10.8
99.04517	85.4
101.02457	9.8
103.03972	1.4
112.98800	3.1
113.02454	7.9
115.03950	1.3
116.92930	1.5
123.00947	1.2
123.65759	1.3
125.02414	1.7
126.17896	1.3
131.03482	4.5
133.02951	4.4
134.03699	1.2
135.04529	3.3
143.03503	5.4
145.05142	1.3
149.00909	2.3
149.04483	1.2
163.03992	1.6
163.06084	2.7
177.01900	1.9
178.02632	2.0
205.07133	1.9
286.77148	1.5
289.21771	1.6
439.35757	2.0
509.40005	2.3
524.33118	1.5
863.48834	1.8
907.50336	2.7
925.51630	100.0
926.52081	16.9
937.47607	2.0
1025.52051	1.5
1051.54309	3.9
1069.55701	68.8
1070.55994	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	1069.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00876	4.1
81.03456	0.9
83.01391	2.2
84.02185	0.3
85.02432	0.4
85.02950	8.9
86.00096	0.6
86.03285	0.2
87.00877	4.9
87.04512	1.1
89.02450	3.6
94.32196	0.2
95.01382	3.0
96.96005	0.3
97.02945	0.7
98.20623	0.3
99.00882	9.7
99.04503	1.2
100.01211	0.2
101.01770	0.3
101.02446	6.3
103.04021	1.1
109.02955	0.3
111.00863	0.4
112.01677	0.4
112.44254	0.2
112.98827	0.3
113.01682	0.4
113.02456	6.9
115.04019	0.9
116.54678	0.2
116.92853	0.3
119.03522	1.1
119.05014	0.2
119.44922	0.2
125.02454	1.5
127.03977	0.3
129.01936	0.4
131.03497	2.5
131.42491	0.2
133.02942	0.6
135.04495	0.6
139.00397	0.5
143.03499	2.8
145.05057	0.5
149.00891	0.3
150.03235	0.3
152.01091	0.3
157.01407	1.1
161.02446	0.2
161.04561	0.9
163.06198	0.9
173.09534	0.2
177.01920	0.3
205.07187	1.8
219.03140	0.2
250.03189	0.2
327.52820	0.2
395.67450	0.2
439.35782	0.8
465.37302	2.5
466.37759	0.4
522.94269	0.2
535.41888	0.6
653.44049	0.4
743.43811	1.4
806.47943	0.3
882.52106	0.2
951.53687	1.7
952.53455	0.5
1007.54608	1.0
1025.52612	0.2
1051.54614	3.1
1052.55481	0.5
1067.54602	0.8
1068.55176	2.1
1069.55737	100.0
1070.56128	20.7
1071.56775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00880	5.2
78.99303	0.3
81.03446	0.2
81.85294	0.3
83.01382	2.1
85.02955	9.5
86.00092	0.7
87.00881	5.1
87.04516	1.3
89.02447	4.2
95.01385	2.8
96.83262	0.3
96.96023	0.7
97.02954	3.3
99.00887	8.3
99.04496	0.4
101.02444	7.5
103.04029	1.4
105.25279	0.3
109.02981	0.4
111.00848	0.5
112.98804	0.8
113.02454	7.0
115.04003	1.3
116.78515	0.2
119.03500	0.9
125.02449	9.5
131.03485	3.0
133.02942	0.9
134.03726	0.3
134.34850	0.3
135.04517	1.6
137.02441	0.5
139.00389	0.5
143.03505	3.4
145.02876	0.3
145.05078	0.7
150.03181	0.4
157.01405	0.7
161.02434	0.3
161.04564	0.9
163.04047	0.4
163.06081	1.0
177.01987	0.7
179.03484	0.6
194.88351	0.2
205.07132	2.3
209.11819	0.2
293.02997	0.3
335.43796	0.3
338.11554	0.3
452.34479	0.3
533.30389	0.3
546.70117	0.3
723.41797	0.4
741.42175	0.3
879.51300	0.7
935.46533	0.5
941.52380	0.6
1019.77472	0.4
1049.53442	2.8
1050.53406	0.6
1067.54333	100.0
1068.54626	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	5.4
83.01412	2.3
85.02950	15.1
87.00863	2.1
88.44744	0.4
89.02449	5.1
95.01378	6.1
96.42506	0.4
97.02958	6.4
99.00875	7.3
101.02441	3.7
107.01385	0.6
109.02957	0.5
112.01669	0.5
113.02445	18.7
115.00371	0.5
119.03475	2.0
121.85853	0.5
125.02444	7.5
133.02942	3.7
133.05791	0.4
134.03729	0.8
135.04623	0.4
137.02496	1.3
139.00371	0.9
142.02740	0.6
143.03499	1.1
149.00909	1.3
157.01407	0.5
161.04584	1.2
177.01903	2.1
178.02592	0.8
179.05598	1.0
185.11836	0.6
201.11288	1.2
209.11847	4.1
211.13400	0.9
253.09465	0.9
293.21198	1.7
309.20764	0.9
482.88751	0.5
552.36450	0.5
563.24292	0.6
565.38416	0.7
627.87329	0.6
635.43231	2.3
707.41913	1.3
743.44183	0.7
873.46387	1.3
879.21722	0.6
917.45844	1.7
941.51202	2.3
1023.55658	0.6
1049.53613	3.7
1050.54712	1.1
1067.54309	100.0
1068.54553	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	1067.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00873	4.8
81.03419	0.2
83.01387	1.6
85.02953	7.8
86.00104	0.8
87.00877	5.1
87.01424	0.2
87.04518	1.2
89.02446	3.0
95.01390	7.6
96.95989	0.2
97.02961	1.8
97.49590	0.1
98.58878	0.1
99.00882	8.9
101.02446	5.4
103.04016	1.3
109.02899	0.2
110.87594	0.1
111.00861	0.5
111.30139	0.1
112.01643	0.3
113.02456	6.8
115.00366	0.3
115.04006	1.3
119.03503	0.7
119.05010	0.3
123.00891	7.2
124.01242	0.2
125.02442	1.4
127.03995	0.2
131.03503	2.6
133.02965	0.9
134.03751	0.2
135.04491	0.2
139.00342	0.4
140.01213	0.3
141.01945	2.2
143.03496	2.8
145.05055	0.5
149.00958	0.3
157.01428	0.4
161.04539	0.6
163.06113	1.0
168.44885	0.1
177.01912	0.5
178.02658	0.4
205.07166	2.0
211.13446	0.2
219.30916	0.2
247.08130	0.3
306.93457	0.2
439.35803	0.7
723.41455	0.3
891.47717	0.3
912.33099	0.2
917.45227	0.2
935.45844	0.4
978.52466	0.4
987.52814	0.2
1023.55011	0.8
1028.54773	0.2
1029.55774	1.3
1031.52075	1.8
1032.52808	0.3
1049.53247	100.0
1050.53455	20.1
1067.53455	0.7
1102.65625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00879	4.4
83.01392	2.4
83.92047	0.3
85.02955	8.3
86.00089	1.0
87.00882	5.7
87.04524	0.9
89.02447	3.6
95.01379	3.2
97.02968	2.3
99.00885	10.2
101.02452	6.1
103.04018	1.4
112.98809	0.6
113.02453	8.9
115.04034	1.7
119.03487	0.8
119.27665	0.4
125.02459	4.4
131.03513	2.4
133.02957	1.4
135.04507	0.6
137.02484	0.6
139.00359	0.9
143.03497	3.0
145.05078	0.7
149.00858	0.4
157.01398	0.6
161.04582	0.7
163.06110	1.1
177.01878	1.2
179.03571	0.4
205.07132	2.0
207.22116	0.4
463.35349	0.5
739.40674	0.7
771.39252	0.5
871.44580	0.5
877.50165	0.5
915.43817	0.7
1016.35114	0.5
1047.52942	1.9
1048.51184	0.6
1065.52759	100.0
1066.53088	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	1067.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00871	6.4
81.03470	0.3
83.01387	2.0
84.02159	0.2
84.94018	0.2
85.02951	12.8
86.00085	1.1
87.00876	6.2
87.04518	1.6
87.11772	0.2
89.02446	4.4
95.00799	0.2
95.01395	3.1
97.02956	2.1
97.77965	0.2
99.00883	8.6
99.04481	0.2
101.02441	6.3
103.04008	1.5
109.02908	0.3
111.00900	0.5
112.01656	0.6
113.02451	8.0
114.02751	0.2
115.00348	0.4
115.04012	1.6
119.03477	1.1
125.02450	3.5
127.04027	0.2
129.01994	0.2
131.03496	3.3
133.03000	0.4
137.02420	0.2
139.00351	0.9
143.03499	3.6
145.05084	1.0
157.01401	0.6
161.04567	0.5
163.06096	1.6
177.01965	0.3
178.02725	0.2
188.17218	0.2
196.20767	0.2
205.07153	2.2
247.08186	0.5
282.07397	0.2
331.97110	0.2
446.29547	0.2
741.42480	0.4
786.75842	0.2
879.50659	0.3
917.45331	0.3
995.70081	0.2
1005.54718	0.3
1049.53467	1.8
1050.54370	0.3
1067.54297	100.0
1068.54675	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00874	4.2
83.01382	2.1
85.02954	9.6
86.00076	0.6
86.03268	0.3
87.00866	2.9
87.04510	0.9
89.02445	1.8
95.01376	1.7
96.47377	0.2
97.02914	0.2
99.00240	0.3
99.00883	6.7
99.04491	0.2
101.02441	2.4
103.04015	0.4
111.00879	0.3
113.02451	4.8
113.03223	0.3
114.02723	0.2
115.00317	0.3
115.03988	0.8
119.03475	0.4
129.01947	0.2
131.03503	2.9
139.00340	0.3
140.10687	0.2
143.03503	2.2
145.05016	0.3
157.01401	0.6
163.06056	0.5
205.07106	1.0
247.08170	0.2
278.20618	0.2
299.16632	0.2
389.28644	0.2
439.36047	0.9
440.35660	0.2
465.37454	0.7
475.35873	0.2
509.39841	0.2
535.41077	0.2
543.40393	0.3
611.42804	0.2
701.42432	0.5
921.52686	0.3
979.53375	1.2
997.53748	100.0
998.54102	17.6
1059.56555	1.3
1060.56775	8.4
1061.55798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00876	3.8
81.03423	0.2
83.01389	2.0
83.05017	0.3
85.02953	7.7
86.00083	0.6
87.00879	3.5
87.04514	1.1
88.01750	0.2
89.02442	2.7
94.11733	0.1
95.01382	2.1
97.02943	0.5
99.00243	0.3
99.00883	6.4
99.04498	0.3
101.02447	5.9
103.04005	1.1
109.02972	0.3
111.00885	0.5
112.01649	0.3
112.98792	0.2
113.01696	0.3
113.02452	6.4
115.04015	1.1
118.06188	0.2
119.03500	0.8
125.02424	0.4
127.04014	0.3
128.03539	0.2
129.01939	0.3
131.03500	2.3
133.02919	0.2
135.04541	0.2
137.43596	0.2
139.00290	0.2
143.03511	2.9
145.05016	0.3
157.01402	0.5
158.77682	0.1
161.04555	0.6
163.06149	1.0
178.02620	0.2
205.07170	1.6
211.13420	0.2
254.11107	0.2
268.85065	0.2
363.44839	0.2
409.23416	0.2
439.35773	0.9
441.36633	0.2
465.37271	0.9
485.36472	0.2
491.35086	0.2
493.36981	0.2
508.35342	0.2
509.39682	0.2
541.38983	0.2
611.42548	0.3
657.42822	0.2
701.42822	0.4
785.19122	0.1
951.53534	0.2
965.54596	0.3
1009.53650	1.1
1010.53851	0.2
1027.54797	100.0
1028.55054	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	1055.58
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02951	3.1
75.00877	5.3
79.18784	0.2
81.03446	0.4
83.01381	2.7
83.05006	0.5
84.02170	0.2
85.02951	9.9
86.00101	0.7
86.03297	0.2
87.00880	4.9
87.04512	1.4
88.98795	0.1
89.01905	0.3
89.02446	4.0
93.03468	0.3
95.01383	2.1
96.31202	0.1
96.96017	0.2
97.02938	0.5
98.19900	0.3
99.00237	0.4
99.00883	6.4
99.04486	0.5
100.01672	0.2
101.02444	6.2
103.04014	1.2
109.02960	0.2
111.00871	0.4
111.04520	0.8
112.01675	0.2
112.98811	0.5
113.02449	6.5
113.03239	0.4
115.00365	0.5
115.04007	1.4
117.43883	0.2
119.03506	1.0
125.02446	0.4
127.04010	0.4
129.05611	0.2
130.17970	0.1
131.03506	3.1
135.04506	0.5
137.02473	0.3
139.00400	0.4
143.03508	3.6
145.05070	0.7
146.10898	0.1
149.02444	0.2
151.18007	0.2
157.01402	0.4
161.02415	0.3
161.04495	0.8
163.06110	1.3
179.03488	0.4
205.07130	2.1
223.13481	0.2
247.08263	0.5
310.09933	0.2
338.10538	0.2
340.13474	0.2
439.35989	0.2
569.42255	1.1
653.41510	0.2
729.45911	0.4
840.93860	0.2
993.58966	0.4
1037.57422	1.7
1038.57446	0.4
1055.57947	100.0
1056.58264	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	1057.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
74.18276	0.1
76.09842	0.1
83.01403	0.4
87.09528	0.1
105.03484	0.3
107.01383	1.5
109.02950	0.4
121.02966	0.5
133.02960	3.4
135.04527	0.3
149.02446	0.9
151.00374	2.9
163.00284	0.2
171.04436	0.2
173.06122	0.2
175.03973	1.5
177.01906	0.2
185.06059	0.3
187.04005	0.3
198.03282	0.4
199.03978	1.9
200.04774	0.2
201.01927	0.5
211.03993	0.4
213.05539	0.4
215.03450	0.3
217.05075	1.2
226.02681	0.2
227.03540	0.5
239.03438	0.3
241.05128	0.7
242.02180	0.1
242.05013	0.1
243.03024	0.9
255.02972	0.7
256.03708	1.0
257.04535	0.4
267.03040	0.3
269.04291	0.2
271.02448	1.5
283.02478	0.2
284.03268	13.2
285.04034	100.0
286.04370	5.8
297.04022	0.2
300.02728	2.2
301.03534	0.7
327.05042	0.4
350.04767	0.2
463.08847	1.1
593.15088	78.4
594.15472	8.4
747.90210	0.2
1023.34253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02945	2.1
83.01401	0.8
83.05031	0.2
83.59505	0.2
85.02943	1.1
87.00863	0.3
89.02457	0.9
91.01918	0.2
93.03469	0.3
99.00874	0.2
101.02446	3.3
107.01369	0.4
107.05037	0.4
109.02944	0.3
112.98804	0.2
113.02448	2.0
115.59776	0.2
119.03504	0.6
119.05039	0.2
120.93291	0.2
121.02951	0.2
121.06575	0.2
122.90916	0.2
123.08177	2.0
126.99662	0.2
131.03548	0.3
133.02957	0.5
134.03688	0.3
135.04506	1.5
137.02425	0.3
137.09711	0.6
143.03467	0.5
147.04512	0.2
149.00917	0.6
149.02429	0.8
149.04555	0.6
151.00414	0.2
151.03938	0.3
161.04576	1.9
163.11310	1.8
169.06552	0.3
173.09853	0.3
175.04007	0.9
176.01057	0.3
177.01932	0.5
179.03506	0.8
179.05563	0.4
185.06055	0.7
187.04167	0.2
189.05640	0.4
189.12845	4.9
190.13161	0.3
195.04486	0.2
199.03922	0.4
203.05556	1.3
207.13911	5.0
208.14159	0.3
211.04012	0.5
213.05624	0.5
217.05064	0.7
221.06639	0.7
225.14967	0.6
227.03502	0.4
229.05048	2.3
237.03995	0.3
239.03445	0.3
240.04225	0.3
242.02145	0.6
255.03075	0.3
256.03732	0.3
257.04565	4.2
258.04620	0.3
283.02490	0.5
284.03235	0.7
285.04047	100.0
286.04407	4.9
293.03052	0.2
311.03928	0.4
369.19104	0.6
387.20297	0.6
415.12726	0.2
429.21259	7.4
430.21634	0.3
579.13324	2.3
947.07996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99318	1.5
73.02946	3.4
75.00878	5.3
81.03464	0.6
83.01387	8.2
84.02189	0.2
85.02951	8.7
86.00113	0.9
87.00878	5.1
87.01415	0.2
87.04528	1.4
89.02441	3.3
95.01385	2.5
97.02952	2.2
98.20624	0.3
99.00883	7.0
99.04524	0.5
101.02442	5.5
103.03995	1.6
107.01429	0.2
109.02944	0.2
111.00846	0.3
112.01704	0.2
113.02448	5.2
115.00420	0.3
115.04005	1.6
119.03506	0.9
125.02445	25.8
126.02766	0.4
127.03976	0.2
131.03506	3.1
139.00336	0.4
140.17027	0.2
143.03502	3.3
145.05040	0.5
157.01418	0.6
161.04524	0.3
163.06110	1.3
205.07170	2.4
207.10284	0.2
211.13527	0.3
247.08246	0.4
291.19611	0.3
313.62009	0.2
439.35760	0.3
565.39154	1.0
635.42999	1.0
707.40497	0.2
725.42749	0.8
925.51868	0.5
1033.53699	2.2
1034.55005	0.4
1042.28467	0.2
1051.54785	100.0
1052.54993	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	1051.5489
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	1.6
73.02948	3.9
75.00870	7.8
81.03476	0.4
83.01382	1.9
85.02949	11.7
86.00062	1.6
86.03281	0.4
87.00874	5.9
87.01414	0.3
87.04517	1.4
89.02437	2.0
95.01385	11.9
95.05031	0.4
97.02953	1.2
98.19848	0.4
99.00880	10.8
101.02446	2.4
103.04002	0.8
105.03438	0.6
109.02940	1.0
111.00889	0.8
113.02447	7.7
115.04010	1.5
119.03525	0.5
122.99970	0.6
123.00880	12.0
124.01274	0.5
125.02454	2.2
129.01955	0.7
131.03500	4.3
133.02966	4.5
134.03699	1.2
137.02443	0.7
139.00359	0.3
140.01158	0.5
141.01933	3.1
143.03505	2.9
145.05067	0.7
149.00938	0.5
151.04037	0.4
157.01385	0.7
163.06111	0.6
177.01926	3.2
178.02652	1.0
179.03448	0.4
205.07162	2.2
211.13318	0.8
214.37367	0.3
242.35410	0.3
327.15753	0.3
439.35974	0.5
464.51984	0.3
857.47992	0.6
875.47485	0.9
901.46014	0.7
919.46362	1.7
1001.51581	1.5
1002.52271	0.4
1019.52185	100.0
1020.52441	18.5
1051.54712	18.9
1052.03003	0.4
1052.55029	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	1051.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	1.5
73.02953	3.4
75.00450	0.3
75.00876	5.7
81.03465	0.7
83.01393	11.0
84.01719	0.2
85.02955	8.6
86.00106	1.0
87.00876	4.8
87.04516	1.5
88.24089	0.2
88.90025	0.2
89.02456	3.1
95.01398	2.4
97.02956	2.8
99.00891	7.4
99.04528	0.5
101.02448	4.7
103.04012	1.4
109.03008	0.2
111.00926	0.2
112.01637	0.4
113.02448	4.8
115.00421	0.5
115.04019	2.0
119.03492	0.7
125.02452	31.8
125.99509	0.2
126.02792	0.4
127.03983	0.3
131.03497	3.1
133.02977	0.3
139.00380	0.4
143.03503	3.2
145.05106	0.7
157.01399	0.6
161.04611	0.3
163.06165	1.5
190.08736	0.2
205.07132	2.7
216.03162	0.2
247.08209	0.4
417.80585	0.3
439.35709	0.3
466.15616	0.2
565.38654	1.0
635.43048	0.9
725.42999	0.5
925.51422	0.6
1033.53711	3.1
1034.54089	0.6
1051.54846	100.0
1052.55115	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	1051.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99300	1.5
73.02945	4.1
75.00874	6.4
76.61159	0.1
81.03468	0.6
83.01387	2.6
85.02952	9.6
86.00094	1.4
87.00876	5.7
87.04506	1.4
89.02451	4.4
93.61382	0.2
95.01391	3.0
95.35303	0.2
97.02950	3.8
99.00880	7.3
99.04517	0.3
101.01772	0.4
101.02443	7.1
103.03996	1.7
104.04346	0.2
111.00880	0.5
112.01687	0.3
113.02446	6.3
115.00342	0.2
115.04015	2.0
116.69769	0.1
119.03506	1.0
125.02448	4.9
127.15051	0.2
131.03513	3.2
137.02498	0.2
139.00308	0.3
142.02734	0.3
143.03506	3.8
145.05112	0.8
157.01427	0.5
161.04497	0.8
163.06117	1.8
163.45973	0.1
169.71761	0.2
176.52342	0.2
182.64893	0.2
205.05305	0.1
205.07166	2.6
247.08168	0.4
465.37299	0.4
467.13278	0.2
476.11670	0.2
489.52652	0.2
565.38953	1.3
581.14526	0.2
597.86389	0.2
599.82373	0.2
619.37854	0.2
635.43018	1.0
636.43494	0.2
707.41101	0.4
725.42920	0.8
780.06940	0.2
863.51282	0.6
951.52399	0.2
1033.53857	2.6
1034.54272	0.5
1051.54810	100.0
1052.55139	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99322	0.7
81.03442	0.3
85.02984	0.4
86.18143	0.3
87.00873	3.5
89.02460	0.6
93.03493	0.4
96.95985	0.8
99.00880	0.6
101.02430	0.4
103.00375	0.5
107.01398	0.3
107.05003	0.5
108.02213	0.4
109.02961	2.7
111.00940	0.4
112.98810	3.1
113.02443	0.8
117.03448	0.5
119.05045	0.7
121.02968	0.5
123.04549	0.4
125.02446	0.8
127.00380	2.2
130.99835	0.9
132.02200	0.5
133.02959	3.2
134.03745	6.3
135.04530	22.1
136.01669	0.4
136.04872	0.6
137.02469	2.7
139.00381	0.7
145.02972	0.7
147.04482	0.6
149.00917	1.2
149.02304	0.4
149.06062	2.2
150.03259	0.4
151.00381	1.1
151.04016	0.5
159.04500	1.1
160.01640	1.2
161.02446	7.8
161.04466	0.4
162.03233	1.6
163.04027	3.2
164.04677	0.4
167.03517	1.2
171.04530	0.5
172.17465	0.4
173.02422	0.6
173.63437	0.3
175.03943	2.6
177.05594	1.2
178.02756	1.4
179.03506	15.2
180.03864	0.6
187.04019	0.9
190.02708	1.0
191.03534	1.8
193.05046	9.7
194.05370	0.4
197.79022	0.3
199.04057	1.9
201.01913	0.6
202.02757	0.4
203.03452	0.5
205.05061	1.6
215.03609	0.7
217.07475	0.3
219.02968	8.6
220.03310	0.5
226.02711	1.0
227.03458	1.9
230.02312	0.4
231.02977	2.3
233.04565	3.7
242.02295	0.3
243.02951	3.8
245.04599	0.9
254.02225	1.2
255.02991	1.3
271.02475	44.2
272.02878	2.7
275.01926	0.8
282.01642	0.4
293.03049	13.6
294.03265	0.9
299.01974	65.9
300.02670	17.4
301.03204	1.4
307.04605	6.1
314.04349	0.7
315.05093	26.2
316.05560	1.2
325.05682	6.7
342.03680	0.4
357.06320	0.4
419.12262	0.6
437.09729	0.5
463.08850	0.9
477.10010	0.4
487.08304	0.7
504.01657	0.6
504.09088	12.9
505.08990	1.5
519.11426	100.0
520.11768	10.3
531.07532	0.4
633.96448	0.3
1051.36462	0.6
1077.47217	0.4
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
53.52438	0.8
54.10714	1.0
55.34025	0.9
59.01384	27.0
60.01722	1.0
66.73751	1.0
67.16951	0.9
70.79845	2.8
72.99309	90.4
73.99638	2.1
75.00875	30.2
75.02819	1.3
75.31270	0.8
103.00379	2.1
105.01935	100.0
106.02283	3.3
106.04108	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
79.83012	23.1
90.07659	23.4
110.82632	22.0
116.92894	26.4
121.02996	21.2
133.02957	31.6
148.24602	21.1
149.00859	21.8
154.06235	100.0
154.80264	22.4
210.07693	23.1
295.22559	29.7
353.57266	21.3
397.13507	23.7
571.20697	25.7
1046.49536	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99301	1.9
73.02945	3.4
75.00874	5.7
83.01399	2.4
85.02946	9.0
86.00081	1.0
87.00391	0.3
87.00874	4.7
87.04508	1.2
89.02442	3.9
95.01384	9.9
96.96004	0.6
97.02939	1.0
99.00882	9.8
101.01772	0.4
101.02444	6.2
103.04003	1.2
111.00874	0.7
112.01695	0.4
112.98806	0.6
113.02447	6.5
113.77938	0.3
115.04003	1.4
116.92846	0.7
119.03495	0.7
123.00886	9.3
125.02425	1.3
131.03506	2.6
133.02965	0.8
135.04451	0.9
137.02435	0.3
139.00406	0.4
141.01926	1.4
143.03517	3.4
145.05075	0.7
147.51974	0.3
149.00870	0.3
157.01405	0.7
161.04567	0.5
163.06139	1.5
177.01865	0.6
179.03442	0.5
205.07129	2.4
211.13361	0.6
235.54419	0.3
247.08299	0.7
309.14975	0.3
327.21710	0.3
331.86044	0.3
341.23074	0.3
399.48022	0.3
439.35858	0.4
586.39667	0.3
628.04767	0.3
723.40912	0.8
759.85767	0.3
774.34949	0.3
917.45258	0.7
939.25677	0.4
987.52704	0.8
1013.53497	0.4
1027.55347	0.4
1031.52148	2.8
1049.53247	100.0
1050.53467	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	1046.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
72.66446	0.7
74.02474	11.5
82.02969	1.3
84.04533	0.8
86.02485	4.0
86.06095	0.8
86.99075	0.8
87.05613	1.8
90.00214	0.9
97.04041	1.7
99.05643	9.0
101.07208	1.1
102.05588	1.1
109.04051	2.5
111.05602	1.0
112.04041	0.8
121.10254	0.9
123.05610	1.1
125.03641	0.9
127.05148	1.6
128.03537	31.8
135.05646	2.9
137.07169	1.2
141.06680	1.7
141.80043	0.7
143.04619	36.2
145.06160	1.3
146.04594	3.0
153.06693	1.8
160.00729	8.9
166.09851	1.5
167.04622	2.0
167.08241	1.9
171.07712	1.8
171.10303	2.4
177.03355	3.4
179.04616	8.9
184.10895	1.2
185.05710	2.0
187.78365	0.7
188.42763	0.8
192.07881	1.0
197.05714	0.9
197.11821	1.3
207.96393	0.8
210.08809	7.8
221.68178	0.7
223.13397	5.5
224.13680	0.7
228.09988	1.0
242.07855	1.5
249.70811	0.7
254.07816	11.3
272.08844	23.6
275.20126	2.6
277.21591	0.9
288.06595	6.4
293.21130	3.2
294.21448	0.9
304.06226	1.2
306.07629	100.0
307.07907	3.5
309.20694	2.7
332.09192	6.3
459.23157	0.9
1046.49805	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	1037.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	1.8
73.02948	2.1
75.00880	7.9
75.01301	0.9
77.10046	0.5
83.01392	3.2
83.50094	0.6
85.02962	18.2
87.00864	1.8
89.02454	6.0
90.10941	0.7
95.01421	3.4
97.02952	6.3
98.20596	0.9
99.00892	7.8
99.01497	0.9
101.02450	5.2
106.39228	0.6
107.91228	0.6
113.02445	12.2
115.00365	0.7
116.92862	1.0
119.03501	2.3
119.44719	0.6
125.02459	9.0
129.02007	0.5
131.03497	1.8
131.08275	1.0
139.00302	0.7
143.03545	0.8
149.16048	0.6
150.04233	1.0
171.10313	1.1
173.10313	0.6
179.05595	0.8
188.29633	0.6
211.13374	0.7
258.83914	0.6
284.77991	0.6
292.32770	0.6
293.21277	4.0
309.20694	1.1
327.21652	6.0
370.22025	0.7
397.13593	3.2
415.14502	1.7
550.36603	0.7
565.39380	1.1
635.42896	2.1
691.35425	0.8
911.49689	1.5
1001.58112	1.5
1002.56873	0.8
1004.69165	0.8
1019.52466	2.3
1037.53369	100.0
1038.53613	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	1.0
73.02949	9.0
75.00871	6.3
79.95761	1.4
80.99801	0.3
81.03441	0.7
83.01392	2.8
84.02183	0.4
84.57856	0.3
84.80946	0.3
85.02951	13.4
86.00092	1.0
87.00382	0.4
87.00882	5.8
87.04523	1.2
87.62036	0.2
89.02432	2.1
95.01394	2.8
96.96013	16.8
97.02972	0.5
97.15482	0.2
99.00880	11.2
99.04517	2.2
101.02434	2.9
103.04012	0.9
109.02965	0.3
111.00868	0.6
112.98840	0.6
113.01691	0.4
113.02449	6.7
115.00354	0.3
115.04033	1.3
115.95060	0.2
119.03484	0.3
125.02444	0.6
127.04020	0.3
131.03510	4.4
135.04524	0.6
138.93387	0.3
139.00354	0.5
143.03510	2.4
145.02896	0.3
145.05009	0.6
157.01416	0.8
163.06105	0.5
179.03474	0.3
186.18147	0.3
205.07193	1.4
293.60718	0.3
373.25967	0.3
439.35754	0.8
465.37415	2.5
535.41876	0.5
743.43701	1.1
895.50836	0.8
921.51971	3.2
922.53192	0.4
941.51001	0.9
977.54401	0.4
1021.53705	1.7
1039.54822	100.0
1040.55139	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	1037.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99309	1.5
73.02950	3.8
75.00876	8.7
78.71889	0.2
83.01392	2.0
85.02953	11.6
86.00108	1.6
87.00378	0.4
87.00875	5.0
87.04511	1.5
89.02443	1.7
95.01385	9.4
96.96029	0.3
97.02939	2.3
99.00881	12.3
99.04510	0.2
99.67534	0.2
101.02462	2.0
103.04019	1.1
111.00852	0.7
112.01691	0.3
112.98772	0.3
113.02450	7.5
115.03993	1.0
116.92850	0.5
119.03503	0.4
119.05031	0.2
123.00891	10.2
125.02426	1.8
125.94798	0.2
131.03491	4.4
131.64867	0.2
135.04556	0.3
139.00407	0.3
141.01936	3.8
143.03497	3.4
145.05075	0.7
157.01421	0.8
163.06113	0.6
181.41743	0.2
205.07117	1.7
261.28885	0.2
439.36118	0.4
609.64325	0.3
664.96973	0.3
757.69318	0.3
895.50275	0.6
898.48364	0.3
948.49927	0.3
964.62042	0.3
993.54822	0.9
1001.51746	1.7
1019.52222	100.0
1020.52429	16.8
1037.53357	6.4
1038.54138	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
72.45448	0.2
72.99314	1.6
73.02946	4.0
75.00876	8.9
81.03454	0.2
83.01390	2.1
84.02154	0.2
84.65829	0.1
85.02957	17.9
86.00098	1.7
86.03268	0.2
87.00881	6.9
87.04520	2.1
88.43398	0.1
89.02453	2.9
90.30377	0.1
95.01389	2.6
97.02962	3.2
99.00885	10.2
99.04531	0.3
101.02451	2.5
103.04002	1.1
105.58595	0.2
111.00871	0.5
111.71201	0.1
112.01701	0.8
113.02457	12.6
114.02781	0.2
115.00387	0.3
115.04023	2.3
119.03503	0.5
124.44927	0.1
125.02455	7.1
126.02740	0.2
131.03513	5.5
136.67082	0.1
139.00377	0.8
142.02657	0.2
143.03505	4.0
145.05040	0.5
157.01451	0.9
163.06148	0.9
205.07169	2.1
247.08220	0.3
367.17099	0.2
502.04767	0.2
563.36963	0.2
583.40405	0.4
668.42444	0.2
703.44745	0.2
937.52118	0.2
1019.51941	1.4
1037.53320	100.0
1038.53503	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99311	1.9
73.02939	3.3
75.00881	7.3
83.01399	3.3
85.02956	13.5
86.00101	0.8
87.00883	4.0
87.04533	0.8
89.02439	6.7
95.01391	3.3
97.02960	4.8
99.00888	9.7
101.02438	6.8
103.49432	0.5
107.15665	0.6
113.02457	10.5
119.03455	0.6
125.02454	7.0
131.03502	7.4
139.03911	0.5
143.03522	1.7
149.04509	1.2
161.04552	1.0
191.05649	3.8
205.07219	0.8
233.06627	1.5
295.55933	0.5
309.21024	0.5
565.38623	0.6
635.43036	1.4
663.30261	0.6
707.41711	1.1
717.45386	0.5
725.41595	0.6
895.08051	0.5
1019.52173	3.5
1037.53308	100.0
1038.53442	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	1035.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99319	3.8
84.99331	1.0
87.00877	14.3
89.27470	0.6
96.96053	0.5
97.06586	2.9
103.00373	6.6
105.01950	0.8
107.01369	1.0
107.05045	0.9
108.02186	2.3
109.02953	17.2
109.03672	1.1
112.98817	11.2
113.39931	0.5
121.02978	2.4
123.04512	1.0
123.92712	0.6
130.99863	3.9
133.02931	3.7
134.03741	93.0
135.04561	15.6
136.01665	21.1
137.02432	10.4
143.35817	0.6
146.45618	0.6
149.00912	38.7
150.01224	0.8
151.00357	5.5
151.04008	8.7
152.04274	0.8
152.62646	0.6
153.01947	1.5
159.04544	2.0
161.02426	0.7
162.03214	2.5
163.00380	1.2
172.05371	0.9
173.06165	0.7
174.06830	1.7
175.07648	1.6
177.01944	4.0
178.02704	13.6
178.99857	2.6
179.03526	4.3
180.00278	0.5
187.04008	0.8
187.07622	5.0
195.02988	3.6
202.06378	1.6
203.10773	4.4
213.09212	1.7
219.01457	0.7
226.02798	0.8
227.03474	1.3
231.10249	22.1
232.10599	1.0
233.08179	2.5
243.02898	3.7
247.09807	0.6
249.11099	0.8
255.02969	9.3
256.03366	0.7
263.09314	0.7
271.02487	21.6
272.02960	1.4
275.09265	27.3
276.09564	1.7
293.10309	100.0
294.10660	4.9
299.02075	0.7
300.02740	43.4
301.03491	17.9
301.31625	0.6
328.04523	0.8
407.09659	1.1
425.10880	54.9
426.11069	4.2
474.42288	0.7
549.66266	0.6
609.14594	72.0
610.14783	10.0
697.27386	1.1
915.34448	0.6
1044.69678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61843	53.2
83.29870	39.8
99.92587	33.8
116.92832	100.0
153.24704	38.8
235.61320	40.8
293.21173	52.1
294.21457	48.4
321.97983	36.1
485.04459	39.5
493.97806	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	1033.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99302	1.4
73.02956	4.3
75.00873	5.7
83.01393	1.9
85.02952	11.1
86.00078	0.8
87.00866	4.1
87.04501	1.0
89.02440	2.5
95.01376	1.6
96.96044	0.6
98.19849	1.2
99.00884	9.6
101.02459	3.0
103.03988	0.6
112.01681	0.5
113.02458	6.1
115.00342	0.4
115.03996	1.0
129.01932	0.5
131.03499	3.4
133.02864	0.3
135.04530	0.5
143.03499	2.8
145.05057	0.6
157.01477	0.6
162.83742	0.3
163.06079	0.6
189.43076	0.4
205.07094	1.2
211.13333	0.5
230.02023	0.5
289.17960	0.4
314.24872	0.4
439.35748	1.1
465.37323	0.8
468.56281	0.4
515.97192	0.4
563.41217	0.4
701.43280	0.7
979.52618	1.2
997.53766	100.0
998.54156	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0038
Annotation	Malonate
Peak:m/z	Relative Intensity
57.03455	4.5
58.00598	5.0
59.01381	100.0
60.01716	2.5
69.34955	2.2
69.35355	8.6
71.01382	1.5
72.99310	10.5
73.02952	4.4
78.79819	1.1
81.52441	1.1
97.95132	1.2
98.20692	2.0
103.04035	1.7
103.92057	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	103.0037
Annotation	Malonate
Peak:m/z	Relative Intensity
56.92124	1.1
57.03450	7.4
58.00589	5.7
59.01378	100.0
60.01714	2.8
71.01380	6.2
71.61424	1.6
72.99303	9.2
73.02956	13.1
74.02458	1.8
100.64617	1.5
103.04019	4.2
103.86884	1.2
103.92023	5.6
106.42672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	1.1
73.02942	0.3
75.00885	0.4
78.95908	0.8
79.95738	7.4
85.02918	0.7
87.00845	0.3
88.56618	0.3
88.98822	0.3
89.02435	0.4
92.04762	0.3
94.98080	0.7
95.01394	0.3
96.96011	100.0
99.00871	0.7
101.02457	0.5
103.96492	0.2
109.40837	0.2
113.02436	0.4
114.93398	0.3
135.04503	0.4
143.03505	0.4
149.00920	0.3
179.15793	0.3
212.35220	0.3
318.20422	0.3
354.38089	0.2
429.77011	0.3
517.13116	0.3
524.37567	0.2
538.28918	0.3
925.51666	5.8
926.52362	0.9
963.46722	0.6
1023.51532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	3.6
83.01385	0.4
87.00874	13.9
91.75316	0.2
93.03487	0.3
96.99316	0.3
98.19834	0.6
103.00365	4.5
105.01936	1.4
107.01386	1.1
107.05038	0.9
108.02185	0.9
109.02956	3.7
111.00892	0.5
112.98808	1.4
117.03461	0.3
121.02987	1.2
127.00351	2.1
130.99869	2.0
131.05023	0.3
133.02950	3.7
134.03735	3.1
135.04526	81.6
136.04843	2.5
137.02444	2.9
139.00366	2.1
145.02966	0.5
146.00661	0.2
147.00887	0.3
147.04536	0.6
148.01637	0.8
149.00914	82.6
149.06085	0.6
150.01289	1.3
151.00369	4.5
154.99887	0.3
159.04512	1.2
161.02435	10.8
162.02872	0.4
163.00363	1.1
163.04013	5.8
164.01163	0.4
169.01393	0.3
173.02423	0.8
175.04001	0.6
177.05582	1.0
179.00247	2.4
179.03491	96.1
180.03828	3.2
187.04033	0.8
191.03482	3.7
192.03853	0.2
199.04027	0.3
203.03520	0.4
205.05075	0.6
211.03999	0.6
219.02972	14.0
220.03323	0.8
221.04547	0.6
226.02718	0.4
227.03508	1.3
229.04758	0.3
231.02977	2.5
243.02998	4.4
244.03412	0.2
245.04439	0.3
249.04404	0.2
254.02251	0.7
255.02983	14.0
256.03421	0.7
267.05060	0.5
271.02472	28.0
272.02911	1.9
273.03882	0.4
275.01868	1.4
283.02408	0.6
293.03021	25.8
294.03415	1.6
299.01996	0.6
300.02740	50.2
301.03458	18.5
302.03906	0.9
311.04074	100.0
312.04446	4.1
440.86703	0.3
463.08771	0.8
473.07217	7.3
474.07666	0.7
505.09863	55.0
506.10107	4.5
701.10858	0.3
730.06335	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	14.8
72.99312	1.3
73.02948	3.1
75.00877	8.2
81.03456	1.1
83.01392	13.3
85.02953	10.2
86.00114	1.1
86.03313	0.2
87.00879	5.1
87.01418	0.3
87.04520	1.4
89.02444	1.8
95.01396	2.0
97.02964	2.3
98.20606	0.5
99.00884	9.3
99.04530	0.6
101.02447	1.6
103.04026	0.7
111.00867	0.5
112.01640	0.3
112.98840	0.2
113.02457	6.2
115.00416	0.3
115.04024	1.4
119.03526	0.2
121.79279	0.2
125.02448	45.4
126.02752	1.0
127.04033	0.2
131.03503	3.9
143.03529	2.9
143.39153	0.2
145.02946	0.2
145.05084	0.5
149.01004	0.2
157.01399	0.7
163.06128	0.9
188.08588	0.2
205.07185	1.3
234.19046	0.2
423.99194	0.2
439.36157	0.3
565.38873	1.4
584.49542	0.2
635.43475	0.5
770.52472	0.2
895.50708	0.3
1003.52869	1.7
1004.52631	0.5
1021.53784	100.0
1022.54047	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	14.7
72.01720	0.2
72.99311	1.3
73.02951	4.2
75.00874	7.9
79.56561	0.1
81.03462	0.3
83.01392	2.2
84.02154	0.1
85.02953	11.7
86.00081	1.2
87.00875	5.4
87.01267	0.1
87.01419	0.2
87.04517	1.7
89.01978	0.1
89.02458	1.5
95.01388	1.8
97.02952	5.6
99.00882	8.6
99.04512	0.3
100.01109	0.1
100.01680	0.2
101.02442	2.2
103.03996	0.8
111.00853	0.3
112.01670	0.3
113.02453	6.1
115.00362	0.2
115.04012	2.0
119.03484	0.3
125.02451	10.4
126.02745	0.2
131.03502	3.9
139.00328	0.3
142.02673	0.2
143.03496	3.1
145.05043	0.6
157.01427	0.6
163.06117	0.8
205.07158	1.6
230.18895	0.2
243.33401	0.1
247.08168	0.3
248.26738	0.1
310.10120	0.1
465.37375	0.3
565.39191	1.0
567.40399	0.2
635.43201	0.4
681.43530	0.3
707.41187	0.2
725.42725	0.4
875.47632	0.2
921.52448	0.2
1003.52576	1.9
1004.52954	0.2
1021.53741	100.0
1022.53967	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	1020.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00988	0.7
71.01382	13.0
71.61260	0.5
72.01774	0.3
72.99316	2.1
73.02947	3.2
75.00874	4.1
83.01392	2.2
83.05034	0.8
85.02952	8.0
85.12000	0.4
85.62064	0.3
86.00090	0.5
86.03246	0.4
87.00873	4.6
87.04498	1.4
89.02443	4.9
93.03474	0.4
95.01368	1.6
97.02966	0.7
99.00883	6.4
99.04522	0.6
101.02444	6.6
103.04008	1.3
108.02149	0.6
109.02925	0.9
112.98808	2.0
113.02453	6.8
115.00362	0.4
115.04009	0.9
119.03484	1.1
119.05024	0.4
125.02420	0.5
131.03471	2.0
133.02921	1.0
134.03732	0.6
135.04518	2.2
137.02403	0.6
139.00363	0.5
143.03522	3.0
145.05078	0.7
148.59558	0.3
149.00932	1.0
149.06094	0.4
150.03261	0.4
151.03906	0.5
152.01129	0.6
155.10687	0.4
157.01305	0.5
161.02402	0.5
161.04590	0.8
163.03996	0.4
163.06126	1.3
164.04858	0.5
165.05627	0.6
176.04199	0.4
178.02681	0.4
179.03467	1.0
180.03854	0.5
195.06641	0.4
205.07140	2.3
231.20834	0.3
282.05405	0.4
283.06247	0.4
393.94693	0.4
471.34558	1.3
473.36319	0.8
509.36429	0.7
541.38989	1.0
728.39642	0.5
870.38263	0.5
939.49542	0.8
957.50598	100.0
958.50922	20.6
958.71027	0.8
1020.47864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43108	0.4
70.76768	1.3
71.01395	0.5
72.99355	0.5
77.03944	2.2
78.95891	0.6
87.00872	6.2
89.03977	1.5
93.03452	1.0
95.05033	5.5
96.96004	0.9
105.03461	16.0
106.04270	1.3
109.02953	1.3
109.35181	0.4
111.00856	0.6
112.98833	1.3
116.92857	0.9
121.02918	2.1
123.04533	1.9
130.99863	1.1
132.02190	0.8
133.02956	100.0
134.03769	18.2
135.04532	4.6
137.02446	11.5
139.04022	3.5
143.87926	0.5
149.00914	1.6
149.02481	0.8
149.06046	0.7
150.03226	1.2
151.03963	0.6
160.01759	0.4
161.37679	0.4
177.01927	84.2
178.02704	28.7
179.03497	10.3
187.03922	0.6
188.04742	0.4
202.06401	0.5
205.05075	0.7
211.13408	6.7
235.08344	0.4
267.43149	0.4
277.21747	6.0
278.22028	0.8
283.13406	0.7
309.14944	2.1
327.15997	4.8
345.17297	0.7
439.96851	0.4
447.22382	0.7
513.30530	0.5
563.24744	0.5
581.25970	1.7
599.68970	0.5
707.43524	3.0
708.44891	0.6
823.45679	2.4
841.47449	14.4
842.48285	2.5
862.03937	0.4
885.46350	27.0
886.46338	5.3
886.95404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
71.37940	0.4
72.99300	1.7
83.05022	0.3
87.00877	9.0
103.00379	4.3
105.03465	0.7
107.01381	0.4
108.02188	0.3
112.98821	3.6
115.18801	0.2
117.03454	0.3
119.05038	0.5
121.02931	0.5
125.02388	0.3
130.99872	1.6
133.02980	2.2
134.03738	3.5
135.04558	1.7
145.02948	0.6
146.03711	1.0
147.04465	0.4
148.05246	0.3
149.00912	19.9
150.01231	0.3
151.00389	1.4
157.49078	0.2
158.03725	2.7
159.04510	4.3
160.05267	0.4
172.05304	2.4
173.06064	2.4
174.03233	0.3
174.06854	2.3
175.03999	0.2
175.07623	2.1
178.02715	0.3
178.99841	0.5
179.03529	0.4
184.05272	0.5
186.06754	0.4
187.04114	1.5
187.07639	16.0
188.08070	0.9
189.09193	0.3
195.50111	0.3
197.06087	0.4
198.06927	0.6
201.05518	1.1
202.06378	4.1
203.07034	0.5
203.10777	3.9
204.11209	0.3
213.09210	8.8
214.09575	0.4
215.07133	0.9
216.07950	0.4
218.05684	0.3
231.06552	0.7
231.10249	23.6
232.10536	1.2
243.02980	1.4
246.05394	0.4
255.02963	3.0
257.08163	5.1
271.02481	6.5
272.02969	0.7
275.09241	100.0
276.09583	6.4
300.02750	13.3
301.03479	4.8
302.03818	0.4
407.09836	20.9
408.10052	1.7
444.06985	0.3
609.14581	21.2
610.15094	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	1015.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	2.2
72.99303	0.3
73.02939	0.5
75.00878	0.7
83.01392	0.3
85.02940	1.2
86.00099	0.2
87.00887	0.8
88.98809	100.0
89.02435	0.7
89.99157	0.6
95.01400	0.3
99.00871	1.0
101.02467	1.1
103.04000	0.2
112.98793	0.2
113.02463	0.8
119.03528	0.2
128.73720	0.2
131.03499	0.6
133.02997	0.4
143.03491	0.6
149.00893	0.2
163.06044	0.2
177.01929	0.2
178.02777	0.2
179.03581	0.2
205.07137	0.4
219.88301	0.2
289.18234	0.2
327.21689	0.5
439.35992	0.3
509.40192	0.3
625.25403	0.3
863.50714	0.2
925.51666	23.3
926.52002	4.3
927.52454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87509	0.5
70.87874	1.0
71.01382	17.6
72.99315	1.6
73.02943	3.0
75.00873	8.8
83.01373	2.4
84.02145	0.5
85.02950	20.5
86.00090	1.0
87.00875	6.0
87.04508	1.3
89.02443	1.8
95.01383	2.7
96.96018	0.5
99.00237	0.7
99.00874	11.9
101.02438	3.1
103.04011	0.9
111.00888	0.8
112.01651	0.8
112.98779	0.8
113.02450	14.8
113.03240	0.7
115.00299	0.4
115.04006	1.6
119.04999	0.5
125.02386	0.5
131.03516	4.0
133.02943	0.4
135.04489	0.9
139.00372	0.9
143.03503	3.0
145.05046	0.5
149.00986	0.4
154.81241	0.4
157.01408	0.6
163.03975	0.5
163.06131	0.7
175.42946	0.3
202.04710	0.3
205.07199	1.7
387.98752	0.3
391.29874	0.5
407.33316	0.7
423.33112	0.4
423.39886	0.4
439.32132	0.4
455.35516	0.6
457.36627	0.5
559.39642	0.7
717.41968	1.4
927.54272	0.6
937.51178	0.5
951.53040	0.6
969.54871	0.8
995.53235	1.7
1013.53241	100.0
1014.53601	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	1014.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
144.92386	74.7
179.21957	82.9
229.33350	90.9
244.66370	100.0
426.60602	84.2
583.18622	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.236
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	1.3
72.99298	3.9
87.00875	30.5
93.03447	3.0
96.86918	0.7
96.95996	1.3
101.02447	1.0
103.00376	38.7
104.00710	1.0
107.01323	0.8
109.02989	0.9
112.98816	14.0
115.77026	0.8
119.05070	0.8
121.02958	4.9
122.03751	6.7
126.57631	0.7
130.99869	22.8
134.03680	1.0
135.04555	5.1
137.02478	1.0
147.27325	0.8
149.00905	30.3
149.02422	26.6
150.03230	45.9
150.44925	0.8
151.00380	1.3
151.03648	1.2
152.01173	5.0
153.29196	0.7
163.03970	4.0
164.04788	15.5
165.05574	52.6
166.05954	1.6
167.03494	1.2
169.05034	2.9
178.99825	1.0
179.03423	2.5
179.07182	5.7
180.04279	2.9
193.01404	13.3
193.05095	0.8
195.06627	32.9
196.06865	1.0
208.03755	29.6
208.05716	1.5
209.03986	1.4
223.06116	100.0
224.06407	3.9
255.03111	1.6
271.02454	1.9
300.02789	3.8
301.03577	1.2
419.13467	67.1
420.13721	6.2
463.08725	2.7
551.05542	1.8
551.14075	36.7
552.14240	3.6
573.38226	1.0
839.24573	0.9
955.37512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.507
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	13.3
72.99305	2.2
73.02944	3.2
75.00872	6.0
83.01382	1.8
85.02953	12.8
86.00092	1.0
87.00872	5.1
87.04499	1.0
88.20594	0.4
88.98802	0.4
89.02450	4.2
95.01380	2.9
97.02965	0.5
98.19904	0.8
99.00884	6.6
101.02443	7.6
103.04023	1.8
112.01672	0.6
112.98775	0.7
113.02450	7.9
115.00373	0.5
115.03987	1.3
119.03471	1.2
119.05009	0.5
121.12828	0.3
125.02352	0.4
131.03499	2.8
133.02931	0.5
134.03725	0.4
135.04512	0.6
139.00334	1.2
143.03517	3.4
145.05101	0.4
149.00844	0.5
157.01411	0.9
161.04532	1.0
163.06090	1.6
179.03493	0.4
205.07184	2.7
218.48987	0.4
229.20000	0.4
333.26892	0.3
439.96933	0.4
923.49390	0.6
941.51123	100.0
942.51392	20.0
1004.50067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	38.9
72.99310	2.1
73.02957	9.9
83.01375	7.1
85.02953	14.9
87.00894	4.3
87.04516	3.5
89.02453	13.2
95.01392	3.6
97.02950	1.7
98.19854	1.7
99.00887	3.9
99.04531	0.8
101.01772	1.4
101.02444	26.0
101.06075	7.5
108.02182	3.2
109.02952	1.9
109.38880	0.8
111.00887	1.0
112.98818	3.0
113.02451	17.6
119.03503	5.3
119.04948	1.1
119.49159	0.9
121.02954	1.1
125.02402	2.1
133.02933	2.2
134.03755	1.3
135.04529	5.7
137.02426	1.2
143.03481	2.8
149.00900	1.0
149.02498	1.5
149.04485	1.2
150.03217	2.9
152.01149	4.4
152.06979	0.9
159.03014	1.3
161.04546	9.3
163.04010	1.8
165.05569	2.0
177.01913	1.2
177.05620	1.1
179.03497	2.1
179.05502	1.2
180.04343	1.1
195.06656	2.7
255.19582	2.5
283.06381	1.0
297.20715	1.6
297.99149	0.9
351.21576	1.4
399.23849	100.0
400.24197	7.9
409.79095	0.9
417.24908	62.6
418.25311	6.9
459.25986	82.1
460.26294	6.0
963.44525	2.9
1007.37445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.585
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28381	94.9
70.28768	100.0
80.72472	48.9
93.93758	52.1
98.22884	54.8
124.62175	56.4
173.96071	57.3
212.43721	55.2
276.21350	46.7
279.23450	55.0
396.18146	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5857
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	20.3
71.05049	0.8
72.99319	1.5
73.02951	3.1
79.47684	0.9
80.02721	1.0
81.03474	2.7
83.01379	6.1
83.05026	2.4
85.02963	3.7
87.00871	4.7
89.02451	14.5
95.01412	1.7
97.02959	3.1
97.06579	3.1
99.00869	1.0
99.52661	0.8
101.02442	16.7
108.44010	0.9
109.02903	1.1
111.04559	1.1
111.08151	1.0
113.02444	7.7
119.03501	4.8
123.04527	2.2
123.08179	1.2
125.02453	8.3
125.09721	5.2
137.09706	5.0
139.11310	1.8
143.03490	2.4
155.10756	2.5
161.04579	3.7
163.11246	2.5
165.12854	5.9
167.03499	0.9
167.10765	6.3
171.10249	5.7
172.64912	0.9
173.57568	0.9
179.05576	4.3
181.12460	2.0
183.13763	1.0
185.11862	1.3
191.10811	1.6
193.12376	0.9
193.16045	1.1
195.10196	1.0
209.11795	16.7
221.06757	1.1
230.26392	0.9
235.08232	8.8
247.20583	5.0
253.09299	1.5
273.18494	1.2
277.21716	50.5
278.22079	4.1
287.07736	2.2
291.16541	1.8
291.19681	23.1
292.20102	1.6
305.08728	3.1
309.20654	5.6
323.09854	1.1
325.23923	1.5
327.21732	5.7
328.22272	1.1
397.13498	100.0
398.13693	5.1
415.08899	1.6
415.14563	30.4
416.14761	2.3
675.35828	3.7
717.98639	1.0
906.25580	1.3
999.87939	1.3
1035.71606	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.6522
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	5.6
69.07072	20.7
69.51321	9.9
69.51726	3.8
71.04976	2.9
71.08636	20.1
72.18375	1.7
79.05500	30.6
81.03407	7.9
81.07064	54.2
83.04994	6.7
83.08623	14.5
85.02908	9.6
85.10181	9.8
85.21725	2.1
91.03928	3.3
91.05497	25.1
92.71308	1.9
93.07051	34.8
94.32546	1.8
95.04967	7.4
95.08612	31.6
97.02908	7.7
97.06528	6.7
97.10167	8.1
105.07056	18.3
107.05003	3.3
107.08614	23.2
109.02831	2.5
109.06512	2.4
109.10172	16.0
111.08096	4.0
111.11745	2.5
113.71608	1.7
117.07024	6.2
119.08556	15.6
121.06472	3.3
121.10161	14.6
123.11732	7.1
127.03938	5.7
129.07022	3.4
131.08591	10.6
133.10158	14.4
135.11728	13.0
137.13284	2.2
139.11299	1.8
143.08600	2.4
145.10144	12.3
147.11707	4.1
149.09633	5.2
149.13306	10.5
151.11272	2.7
159.11754	11.8
161.13220	3.0
163.11243	4.7
171.11742	3.4
173.13271	3.9
195.13756	4.7
227.12828	3.4
239.18040	2.3
247.20490	3.0
255.15849	11.5
257.19122	5.4
269.17502	40.4
275.20093	21.3
291.19537	3.5
308.75781	2.1
341.30527	84.9
342.30832	2.9
349.23813	24.8
366.23590	2.2
367.24847	3.5
369.30139	2.2
395.98184	2.1
413.21762	2.6
454.22226	2.3
521.42017	18.8
535.43634	100.0
536.44104	3.0
575.46851	5.5
615.49933	31.0
633.50629	14.6
699.55035	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	988.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	5.7
69.07075	2.2
70.06597	8.5
71.04993	67.7
71.35387	0.8
72.08169	1.1
73.02922	4.2
79.05494	9.0
81.03423	4.0
81.07061	7.6
82.06577	0.6
83.05008	0.9
83.08636	1.9
84.08141	4.3
85.02904	6.8
86.06064	5.2
87.04541	0.6
88.03977	3.7
91.03976	2.5
91.05470	5.2
93.07043	5.7
94.06577	1.0
95.04955	1.3
95.08610	3.9
96.08124	9.1
97.02889	7.7
97.10163	3.5
98.06059	3.4
98.09731	0.6
99.04494	0.6
101.02416	1.2
105.07021	2.6
106.06569	1.3
107.08583	5.1
109.02898	0.9
109.06508	0.7
109.10175	2.8
111.08070	0.9
112.07626	4.0
114.09189	0.9
115.03949	0.6
117.07050	1.7
119.08604	1.9
121.06480	0.6
121.10160	2.5
124.07603	5.3
125.09643	3.4
127.03924	1.9
128.19833	0.6
131.08612	1.4
133.10149	1.0
133.56815	0.5
135.08023	1.1
135.11737	1.4
140.07101	0.9
141.07875	1.6
142.08659	7.5
145.10178	1.3
149.13322	0.9
153.09183	1.7
158.08125	9.5
159.11638	0.7
161.13344	0.7
163.11264	1.3
170.08112	4.0
189.11298	1.6
224.16475	0.8
227.12749	3.0
244.06024	0.5
248.16470	0.9
261.22351	0.9
267.15942	0.7
270.82654	0.6
287.72739	0.6
335.25766	5.1
455.33450	0.6
565.33887	0.7
604.41833	0.8
646.43671	1.4
664.44226	6.3
804.05481	0.7
805.13049	0.6
826.49756	3.0
988.54797	100.0
989.55255	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	988.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	7.0
69.07066	1.7
69.47445	3.5
70.02962	0.5
70.06596	6.4
71.01340	0.8
71.04995	68.5
72.08156	1.2
73.02911	3.6
74.70425	0.4
79.05499	11.5
81.03436	3.0
81.07057	7.7
83.04966	0.8
83.08640	2.1
84.04522	0.6
84.08163	3.8
85.02906	8.5
86.06071	5.1
88.04005	3.2
91.03963	3.3
91.05479	4.7
93.07052	7.8
94.06573	0.6
95.04987	1.5
95.08604	4.1
96.08128	8.2
97.02897	7.2
97.06582	0.6
97.10159	3.4
98.06055	2.9
98.09723	0.6
98.21557	0.6
99.04466	0.9
101.02416	1.7
105.07053	2.2
106.06569	1.7
107.08591	5.4
109.02905	0.8
109.06528	0.8
109.10197	2.6
111.08097	1.1
112.07609	4.3
114.09197	0.5
117.07059	1.3
119.08582	2.4
121.10159	1.9
122.06017	0.9
124.07594	4.1
125.09627	3.2
126.09138	0.8
127.03940	1.9
131.08611	1.3
133.10172	1.4
135.08090	1.3
135.11748	1.3
140.07088	0.8
141.07866	1.4
142.08623	7.9
145.04974	0.8
145.10181	1.1
153.09164	0.9
158.08118	8.2
159.11784	0.6
163.11250	0.6
170.08107	4.0
173.09668	0.5
173.13283	0.5
189.11337	1.5
193.12244	0.7
202.10809	1.1
227.12744	2.8
233.95769	0.5
248.16629	1.0
261.22290	0.8
335.25757	6.7
343.47128	0.6
505.35168	1.1
570.62335	0.6
600.43909	0.5
628.42462	0.6
646.43365	1.2
664.43933	3.1
826.03552	0.6
826.49628	2.7
907.96826	0.6
970.56287	0.6
988.54755	100.0
989.55237	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	986.6928
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.8
69.07076	18.6
71.04989	6.2
77.03934	1.9
79.05497	73.5
81.03419	4.7
81.07061	64.6
83.04980	6.1
83.08620	15.1
85.06555	7.4
91.05486	100.0
93.07050	72.9
95.04984	15.2
95.08613	51.4
97.02925	1.9
97.06525	7.7
97.10163	5.9
99.08100	9.0
103.05453	5.2
105.04520	2.1
105.07037	75.3
107.04963	9.1
107.08603	41.2
109.06522	17.7
109.10155	21.4
111.08094	8.5
113.06001	4.7
113.09641	2.4
115.05456	9.5
116.06270	2.3
117.07025	46.2
117.07851	2.5
119.08586	50.6
121.06503	4.7
121.10145	19.7
123.08068	4.4
123.11718	4.1
125.09653	5.7
128.06256	12.0
129.07021	35.9
130.07787	2.8
131.08583	46.8
133.06496	1.7
133.10135	32.7
135.08066	7.8
135.11728	12.7
137.09605	4.0
141.06981	12.2
142.07768	6.3
143.08574	25.7
144.09325	1.9
145.06506	3.2
145.10138	44.4
145.11284	2.6
147.08040	5.7
147.11697	20.1
149.09666	9.0
149.13274	6.2
151.11201	4.5
153.07030	3.8
154.07767	2.9
155.08586	14.4
157.10121	22.2
159.08060	2.9
159.11708	29.9
161.09691	6.7
161.13284	7.6
163.11192	8.7
165.07030	4.5
165.12854	1.6
166.07809	3.4
167.08630	7.4
168.09363	2.0
169.10141	18.4
171.11671	16.8
173.09625	3.7
173.13245	14.6
175.11220	2.9
175.14828	6.6
177.12741	4.4
179.08566	4.6
180.09338	2.1
181.10146	10.2
183.11713	16.7
185.09604	2.3
185.13258	29.8
187.11206	3.3
187.14777	6.9
189.12721	3.4
189.16437	1.5
193.10172	4.9
194.10968	1.8
195.11700	9.9
197.13205	8.4
199.11200	2.0
199.14784	5.4
201.12695	3.5
201.16428	3.5
203.14352	14.9
205.15935	3.6
207.11732	5.7
207.13725	2.3
209.13321	9.8
211.14908	3.4
213.16379	3.1
215.14326	2.2
217.10052	1.6
217.15938	3.5
219.11658	4.4
219.17435	5.3
221.13257	4.5
223.14861	5.4
225.16365	3.3
229.19447	3.4
231.11824	2.6
231.17255	1.6
233.13310	3.1
235.14885	2.9
237.16466	4.3
239.18007	7.4
241.19409	2.1
245.13307	2.2
247.14966	2.0
251.18048	2.3
255.17545	3.5
257.19037	18.4
259.17245	2.0
259.20590	5.4
273.18497	9.7
275.20096	26.1
291.19611	3.4
309.22141	1.7
313.22021	2.3
323.23706	2.1
329.21249	1.9
331.22540	1.8
333.22028	1.7
335.25986	1.7
339.23297	1.9
347.23053	1.7
349.23782	4.2
365.23453	2.1
367.25632	2.2
471.32343	2.1
529.19818	1.5
531.38013	2.0
605.42352	3.3
623.42841	9.0
627.45905	2.8
675.56207	1.9
801.55463	2.7
825.55554	2.5
829.56348	2.6
839.57898	2.1
857.59564	2.0
879.60309	2.0
897.62335	7.0
915.62451	3.1
986.55585	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	986.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	7.9
69.06721	1.4
69.07073	22.3
70.29588	2.7
71.04984	4.2
71.08600	1.4
73.02922	3.2
77.03913	1.2
79.05497	60.4
81.03425	9.7
81.07061	77.0
81.14893	0.8
82.07422	1.1
83.04984	9.6
83.08631	11.8
85.02907	11.9
85.06541	3.9
91.03960	4.5
91.04613	0.9
91.05485	46.4
93.07050	69.8
95.04982	11.8
95.08610	52.4
97.02886	6.3
97.06532	10.6
97.10160	6.4
99.04432	1.8
99.08094	1.8
103.05489	1.4
104.87621	0.7
105.04490	2.2
105.07036	38.0
107.04955	5.7
107.08598	44.2
109.02908	2.1
109.06513	5.1
109.10163	21.9
111.04442	1.8
111.08093	3.4
113.09662	1.2
115.05431	1.9
117.07031	16.3
119.08593	26.3
121.06503	2.8
121.10154	25.7
123.08089	3.8
123.11708	5.3
125.09658	5.5
127.03924	5.8
128.06203	1.6
129.05515	1.5
129.06998	6.1
130.07806	1.0
131.08580	22.0
133.02396	0.8
133.06517	1.6
133.10143	24.0
134.62822	0.7
135.08055	3.5
135.11710	18.7
137.09618	2.3
137.13295	0.9
139.11205	0.9
141.07010	2.0
142.07741	0.9
143.08566	4.9
145.04979	2.7
145.06514	0.9
145.10135	17.6
147.08151	1.1
147.11679	12.0
149.09641	8.1
149.13274	10.5
151.11140	1.9
155.08583	2.9
157.10100	4.9
159.08084	1.1
159.11705	13.3
161.09641	1.4
161.13252	6.1
163.06032	1.4
163.11200	4.9
163.14833	3.1
165.12767	1.2
167.08539	1.2
169.10158	3.5
171.08076	1.4
171.11694	5.5
173.04483	2.2
173.11757	2.3
173.13275	7.9
175.11169	1.8
175.14842	3.0
177.12762	3.5
179.14328	2.0
183.11697	3.5
185.13287	2.7
187.11186	1.0
187.14870	3.3
189.11221	2.7
189.12744	1.2
191.14453	1.2
195.11768	1.1
195.13857	3.1
197.13342	2.2
199.14876	1.8
201.16447	1.8
203.14339	1.2
211.14807	1.6
215.18036	1.0
217.15845	1.4
219.17496	1.1
227.12819	6.6
229.14296	6.1
229.19528	1.8
235.16998	1.1
239.18007	2.3
241.19815	1.1
243.21120	3.1
247.20518	1.6
255.15868	5.6
257.18991	6.6
259.20599	3.1
260.20743	0.7
261.22174	10.5
267.15979	1.0
269.14557	0.9
269.17465	17.4
275.20087	24.5
277.21698	1.9
293.17825	0.8
293.21149	2.4
302.29968	0.8
309.20395	3.6
317.24768	2.6
331.22708	3.0
333.24219	2.2
335.25821	100.0
336.26227	3.1
339.18057	1.3
347.21844	0.8
349.23749	24.6
351.25052	1.7
367.24792	3.7
375.97098	1.0
391.32764	1.0
413.21777	1.1
427.26245	0.9
437.34155	1.2
455.35361	1.1
456.22137	0.9
489.35876	5.1
505.35318	1.5
513.38782	0.9
515.37402	17.6
529.38879	59.7
530.39063	3.3
535.41357	1.9
545.38092	1.1
569.42072	9.9
609.45172	43.1
610.45227	2.7
627.46301	12.2
649.39001	1.4
673.43408	1.3
771.50049	2.1
814.42023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	2.9
69.07058	14.2
69.28996	4.5
69.29421	14.4
70.06584	1.8
73.02908	4.0
79.05498	36.1
81.03416	4.3
81.07066	38.1
82.07449	2.1
83.04987	2.9
83.08622	7.3
85.02908	9.7
91.03947	4.8
91.04898	2.7
91.05482	44.2
93.07044	37.2
95.04962	7.2
95.08610	30.8
97.02884	7.0
97.06533	3.8
97.10154	3.2
103.05472	1.8
105.07040	36.3
107.04967	3.6
107.08601	24.3
109.06536	3.4
109.10160	14.3
110.09683	2.4
115.05436	3.3
117.07035	18.6
119.08581	27.9
121.06503	2.0
121.10145	18.8
123.08015	2.0
123.11688	2.7
127.03850	1.9
128.06226	2.8
129.07028	15.3
130.07785	1.9
131.08568	23.8
133.08618	1.7
133.10121	20.6
135.08043	2.1
135.11697	7.8
136.06223	3.0
137.09744	2.2
141.07042	5.0
142.07777	3.0
143.08569	14.5
144.09254	1.9
145.04936	3.2
145.06490	1.9
145.10138	20.3
145.63745	2.2
147.11716	9.5
149.13297	4.4
153.07036	2.0
155.08598	9.7
156.09364	2.2
157.10123	12.2
159.11697	18.0
161.13266	6.0
163.06102	2.3
163.11234	2.3
167.08592	3.1
168.09254	2.3
169.10068	10.4
171.11661	12.1
171.94797	1.7
173.13272	9.5
175.14716	1.8
179.08611	2.1
181.10187	6.0
183.11696	11.7
185.13293	8.9
187.14822	3.2
189.16368	2.7
193.10146	2.7
195.11713	4.2
197.13281	9.9
199.14804	4.2
207.11636	2.6
209.13327	6.2
211.14810	5.6
213.16403	2.8
223.14793	3.7
225.16473	5.1
235.14951	3.3
237.16489	3.5
239.17905	5.2
257.19043	3.5
259.20645	5.9
261.22021	2.2
275.19928	2.2
325.21799	2.5
333.24243	4.7
335.25854	2.9
433.30225	2.2
433.47650	2.2
447.32181	2.5
517.40131	9.5
535.41364	4.2
539.37689	3.7
576.60449	1.9
591.44165	9.6
609.45135	100.0
610.45233	5.0
662.47168	2.7
753.49622	3.0
771.50275	8.4
873.60669	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	8.1
69.06723	1.6
69.07071	22.0
71.04980	2.8
79.05496	35.4
79.05964	1.8
81.03426	5.9
81.07060	42.0
83.04967	4.0
83.08627	9.2
85.02908	7.2
85.06528	1.4
89.49855	0.8
91.03960	1.8
91.05482	25.6
91.46944	0.9
93.07041	34.6
95.04977	7.2
95.08611	27.1
97.02894	11.6
97.06518	3.6
97.10168	10.8
99.04436	1.0
99.50520	0.8
105.07033	19.2
107.04948	5.0
107.08593	22.2
109.06514	3.4
109.10169	14.5
111.08070	2.2
117.07024	7.3
119.04916	1.6
119.08592	19.0
121.06498	2.4
121.10165	14.3
123.08073	3.1
123.11710	4.1
125.09637	10.5
127.03888	1.5
129.07005	2.7
131.08569	10.2
133.06458	2.8
133.10132	9.9
135.04424	1.0
135.08055	3.2
135.11678	7.5
137.09610	2.0
137.13179	0.9
139.11220	1.2
143.08540	2.4
145.10121	6.5
147.08076	4.8
147.11684	5.2
149.09558	2.1
149.13234	4.6
151.11137	1.2
153.09122	1.7
155.08598	1.3
157.10126	2.3
159.11679	4.2
161.09579	2.3
161.13252	3.4
163.11214	2.2
163.14815	1.7
169.10204	1.0
171.11729	2.0
173.13266	2.1
175.11214	2.2
185.13214	1.1
187.14758	1.2
189.11214	4.8
191.14252	1.0
193.12219	2.2
205.12137	2.0
211.13248	1.3
223.13309	18.1
227.12701	5.5
229.14159	1.5
243.21086	2.5
249.14821	3.2
253.14240	1.0
261.22147	8.2
263.19839	1.1
267.16190	1.3
273.18503	15.3
275.20108	1.1
291.19556	100.0
292.19806	1.8
317.24634	3.1
335.25815	63.5
347.22171	3.1
365.23242	62.3
366.23254	1.5
477.29269	1.1
527.37152	1.5
545.38239	4.9
607.43225	3.3
625.44641	83.4
626.44714	3.3
985.56830	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	6.6
69.06729	1.3
69.07078	19.9
69.22437	1.0
69.72235	4.6
71.04996	1.7
73.02913	1.0
77.03955	0.7
79.05496	32.4
81.03425	6.1
81.07058	36.0
83.04984	3.6
83.08631	8.4
85.02905	4.7
85.06535	2.3
91.03959	1.4
91.05484	23.0
93.07047	33.0
95.04974	9.2
95.08614	25.6
97.02894	10.4
97.06532	3.0
97.10169	9.2
99.08070	1.1
105.04561	0.8
105.07037	16.7
107.04963	4.3
107.08604	19.8
109.06509	3.4
109.10163	13.7
111.08081	1.9
115.05434	1.2
117.07026	8.2
119.08585	13.3
121.06487	2.5
121.10158	11.7
123.08054	3.0
123.11718	2.7
125.09643	8.2
127.03934	1.8
128.06230	0.8
129.06993	3.6
130.07759	1.0
131.08563	8.9
133.06482	2.1
133.10138	6.1
135.08051	2.9
135.11697	7.7
137.09653	1.7
143.08600	2.7
145.04999	1.1
145.06473	1.3
145.10147	8.0
147.08052	3.7
147.11699	5.3
149.09575	1.5
149.13258	3.5
153.09163	1.3
157.10149	2.8
159.11674	5.9
161.09639	1.6
161.13226	2.9
163.11191	2.0
165.09120	1.5
171.10193	0.7
171.11644	1.5
173.13280	1.9
175.11182	2.0
175.14900	1.0
183.11714	1.2
185.13307	0.8
187.14742	1.8
189.11212	2.7
205.12289	1.8
209.13422	0.8
211.13245	1.0
223.13277	16.5
227.12798	3.3
229.14211	1.2
243.21135	2.1
249.14780	1.9
261.22141	5.9
267.15775	1.5
273.18506	10.3
291.19553	73.2
292.19879	1.2
317.24841	2.9
335.25803	70.3
336.26184	1.6
347.22119	1.7
365.23242	44.1
505.35425	0.9
527.37244	1.5
545.38489	5.2
569.27747	1.0
607.43713	1.9
625.44659	100.0
626.44635	3.4
643.45148	1.1
689.41998	1.2
846.21576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	5.3
69.07068	10.1
69.24522	6.6
69.24950	4.6
70.06579	4.0
71.01344	3.7
71.04996	45.7
72.08147	2.1
73.02915	8.4
73.45699	0.9
75.04488	5.8
79.05491	13.6
81.03400	3.9
81.07057	46.1
83.04978	20.9
83.08611	4.7
84.08145	1.3
85.02905	100.0
85.06532	1.6
87.04475	1.6
91.03976	7.7
91.04951	2.2
91.05474	20.5
93.07042	40.4
95.01324	20.5
95.04971	6.4
95.08607	81.9
97.02892	14.3
97.06530	4.8
97.10142	2.5
98.95786	1.1
99.00807	2.0
99.04460	3.2
101.06010	1.2
103.03941	3.5
103.05458	1.5
105.04507	1.1
105.07030	38.4
107.04947	2.2
107.08596	57.1
109.02911	1.8
109.06510	6.0
109.10155	48.2
111.04459	15.2
111.08073	19.1
111.11719	2.0
113.02348	3.6
115.03966	1.3
115.05450	1.3
117.07008	6.9
119.04942	1.3
119.08582	46.5
121.06525	5.8
121.10139	46.2
123.00839	1.6
123.04401	1.8
123.08074	7.8
123.11705	13.5
125.05978	1.4
125.09617	4.0
127.03928	13.1
127.07571	1.3
129.05484	25.4
129.06985	2.6
131.03407	1.1
131.04915	2.0
131.08556	15.2
131.96834	1.2
133.10133	55.8
135.04427	1.6
135.08083	6.3
135.11693	31.9
137.06004	3.3
137.09619	4.3
137.13243	4.2
139.11137	4.3
141.01830	57.9
141.09062	2.2
142.07748	2.6
143.08575	8.7
144.09311	2.0
145.04955	7.0
145.10124	29.9
147.04431	2.7
147.06519	14.8
147.07796	1.8
147.11690	38.3
149.09586	4.2
149.13249	31.8
151.07565	2.2
151.11206	2.7
153.05490	1.6
155.08559	1.6
157.10094	13.6
158.10919	1.6
159.02902	12.9
159.08102	2.0
159.10435	2.4
159.11684	32.8
160.12347	1.1
161.09578	3.9
161.11954	2.2
161.13254	29.6
163.03932	2.7
163.06038	13.9
163.07413	1.7
163.11171	4.7
163.14828	15.5
165.09090	2.5
165.12740	1.2
167.07069	8.3
169.10120	3.9
171.11684	11.0
173.05986	1.4
173.09732	1.1
173.13260	24.1
175.11208	6.1
175.14816	20.6
177.03984	2.6
177.05452	2.6
177.12743	3.6
177.16400	18.8
181.04965	3.1
183.11716	3.2
185.13243	10.9
187.11177	1.3
187.14810	17.0
189.12746	2.9
189.16376	32.9
191.14320	4.1
191.17902	4.6
193.15860	6.2
195.11676	1.7
195.17499	2.4
197.13211	3.7
199.14825	9.5
201.12617	1.7
201.16374	18.1
203.14398	3.2
203.17952	20.3
205.15866	8.5
207.13840	1.3
207.17427	14.5
209.13275	2.8
209.15297	1.4
211.14825	2.6
213.16402	9.9
215.14325	3.2
215.17949	14.9
217.15973	6.3
217.19574	5.3
219.13776	1.8
219.17458	8.8
221.15381	5.1
221.18988	4.8
225.16354	2.6
227.17947	4.6
229.15854	3.2
229.19441	3.1
231.17451	15.6
233.15271	2.0
233.19009	3.2
235.16888	4.8
237.16356	2.3
239.16397	3.7
241.19536	2.6
243.17433	4.7
243.21033	3.3
245.18909	2.2
247.16879	3.6
249.18486	11.5
251.18297	1.6
253.19632	2.2
255.08556	2.6
255.21181	2.3
257.19083	1.8
261.18536	5.9
269.18997	1.2
269.22510	1.8
271.20459	1.6
273.09616	1.6
279.19366	7.6
283.20615	2.2
283.23938	1.2
285.21878	1.8
287.07791	2.6
289.21667	1.7
293.21280	1.2
301.21686	1.4
305.08719	6.6
309.11841	2.6
311.23761	1.9
325.25534	1.5
329.24686	1.8
335.27252	2.0
343.26135	1.5
347.25735	2.6
361.28708	2.7
365.19675	2.4
379.29877	10.0
391.33453	2.2
397.31006	14.8
401.31934	3.2
407.33038	9.5
409.34583	3.4
415.32089	6.2
416.96051	1.3
417.15552	1.9
418.15637	1.6
419.33173	22.3
425.34143	41.2
437.34164	84.7
438.34262	2.5
439.35422	3.5
443.35190	4.6
455.35202	84.8
456.35175	2.0
473.36279	79.9
474.36508	2.3
534.30066	1.2
583.36365	1.9
595.36230	7.1
613.37506	6.6
631.38275	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	970.6981
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	2.2
69.07073	20.7
69.91463	3.7
69.91869	7.5
71.04996	5.6
72.83770	1.7
77.03964	1.6
78.04697	1.6
79.05498	71.5
81.03414	3.4
81.07063	69.3
83.04967	6.0
83.08629	12.7
85.06535	4.8
91.05486	100.0
91.63242	1.6
93.07049	67.9
95.04987	16.6
95.08609	51.8
97.06516	10.7
97.10153	9.8
98.20674	1.7
99.08096	7.9
103.05476	6.5
105.04508	3.5
105.07036	82.4
107.04945	4.6
107.08605	39.2
109.06515	9.8
109.10165	19.5
111.08086	7.9
111.43179	1.6
113.05990	3.4
115.05459	8.3
116.06273	3.5
117.07023	46.0
119.08585	53.9
121.06499	3.6
121.10149	21.9
123.08071	5.3
123.11755	4.3
125.09647	6.3
128.06215	9.8
129.07011	32.3
130.07797	5.0
131.08566	48.7
133.06567	3.6
133.10141	37.3
135.08052	4.9
135.11702	12.7
137.09624	3.3
138.55840	1.9
139.11185	2.6
141.07008	11.0
142.07790	7.7
143.08554	23.8
144.79691	1.6
145.06506	3.1
145.10129	41.7
147.08046	2.9
147.11703	22.0
149.09641	9.2
149.13251	7.3
151.11186	3.9
153.07016	3.1
154.07739	4.2
155.08545	19.4
155.60942	1.9
156.09402	3.1
157.10132	24.1
159.08046	2.6
159.11708	25.7
161.09651	4.1
161.13264	11.5
163.11188	4.4
163.14870	3.7
165.06975	2.7
167.08571	9.0
168.09302	3.3
169.10100	17.2
170.10971	1.7
171.11690	17.3
173.09682	3.6
173.11975	2.2
173.13310	13.5
175.11203	3.6
175.14832	6.7
177.12845	2.6
179.08574	5.7
180.09460	3.2
181.10121	9.3
183.11711	17.2
185.13275	23.3
187.14775	8.1
191.08661	1.7
193.10158	4.9
195.11697	12.0
197.13222	9.6
199.14813	8.6
201.12860	2.1
201.16570	2.5
203.14316	5.6
205.10202	4.5
205.15851	5.3
207.11752	7.2
209.13289	9.6
210.54282	1.9
211.14793	6.8
213.16399	3.9
217.15935	3.6
218.10948	2.4
219.11693	2.7
219.17455	4.5
221.13290	6.2
223.14868	6.7
225.16446	3.2
231.11761	2.8
233.13266	3.2
233.15434	2.3
235.14999	5.3
237.16418	4.6
238.91141	1.7
239.17924	5.5
241.19545	6.1
243.11827	2.1
245.18959	2.2
247.14806	3.7
249.16386	4.0
251.18021	2.7
255.17473	3.4
257.19116	10.0
259.20621	15.3
263.18091	2.5
265.19449	2.5
273.18488	6.7
275.20154	17.8
277.21799	2.2
291.19608	4.3
297.22415	2.1
303.20984	2.1
311.23459	1.9
315.23199	5.0
321.22296	1.8
347.23621	3.9
349.24399	2.1
361.25092	1.9
447.32297	2.1
513.36407	2.2
515.38861	3.3
533.39868	1.8
549.39203	2.4
605.42047	3.0
607.43378	8.1
623.42975	6.1
625.43982	3.0
755.53113	1.8
785.55756	3.8
787.54370	2.1
799.54004	2.5
811.57141	2.8
813.56665	4.1
823.58508	3.6
827.58240	3.7
840.45764	2.0
841.59070	2.0
863.61407	4.5
881.62952	16.3
899.64276	9.9
970.57831	3.3
971.59558	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	970.61
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	4.3
69.07066	27.4
70.00647	9.4
71.05005	3.6
73.02917	5.2
79.05494	85.9
81.03411	3.4
81.07057	100.0
81.42535	1.7
83.04987	4.4
83.08612	14.7
85.02901	20.8
85.06541	4.7
87.04453	1.9
91.03961	16.3
91.05482	99.9
93.07044	99.8
94.07385	1.8
95.04976	15.5
95.08606	81.8
97.02904	10.0
97.06526	6.0
97.10172	7.1
98.21266	3.3
99.04449	2.8
99.08084	4.1
103.05470	3.1
105.04462	2.2
105.07030	85.8
107.04935	2.4
107.08595	60.5
109.06506	5.1
109.10158	31.3
109.10840	3.5
111.08086	2.4
111.11678	2.0
113.06009	2.0
115.05441	3.3
117.07022	32.6
119.08585	76.0
121.10150	46.7
123.08078	4.5
123.11736	7.9
127.03925	5.8
128.06227	4.1
129.06995	16.4
131.07590	2.9
131.08574	41.1
133.10138	60.7
135.08163	2.1
135.11691	32.5
137.09645	2.6
141.07080	2.6
142.07793	2.4
143.08565	15.2
145.04984	8.5
145.10130	31.1
147.11694	43.7
149.09651	3.4
149.13254	16.2
151.11150	2.1
155.08543	4.7
157.10124	17.5
159.11700	29.2
161.13269	32.7
163.06012	8.9
163.11232	3.6
163.14835	5.4
169.10133	6.2
171.11725	19.1
173.13260	18.7
175.11205	2.7
175.14891	11.7
177.16440	3.5
183.11731	5.8
185.13235	14.5
187.14790	5.2
189.16368	3.7
197.13239	3.9
199.14883	7.9
201.16359	4.5
211.14738	3.1
213.16420	3.9
223.17149	2.0
229.19469	2.2
231.20941	9.7
239.17841	3.4
241.19513	27.7
242.19986	2.5
243.20950	4.2
257.19003	9.7
259.20590	68.4
260.21231	2.6
261.22083	11.4
267.15915	2.3
275.20154	2.7
315.23129	4.5
331.22684	4.0
333.24219	57.9
335.25793	80.8
336.26343	2.5
337.27283	6.2
367.22784	5.7
441.26633	2.1
493.15707	1.9
503.37277	2.9
519.41901	4.5
537.44055	2.0
593.45715	18.1
609.44702	2.6
611.46649	87.5
612.46881	4.1
677.47375	2.1
701.47559	4.4
719.48615	4.1
737.49774	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	968.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05170	2.2
67.05507	26.6
69.07070	8.0
71.26723	1.5
79.05494	24.8
81.03418	2.6
81.07058	29.2
83.04977	2.7
83.08627	2.9
85.02880	1.6
91.05486	23.3
91.07652	1.6
93.07047	24.8
93.62756	1.4
95.04967	4.2
95.08608	19.1
97.06516	5.0
105.04521	1.3
105.07030	25.7
107.04934	3.7
107.08596	10.5
109.06510	4.7
109.10169	7.1
117.07034	6.8
119.08595	16.7
121.10139	10.5
123.11681	1.4
129.07007	2.1
131.08569	10.3
133.10138	16.7
135.08072	1.9
135.11723	7.4
137.09599	1.7
143.08485	1.8
145.10118	7.9
147.11702	4.4
149.13319	2.5
150.79129	1.3
157.10176	1.5
159.11705	7.0
161.13232	1.9
163.11151	1.7
173.01175	1.3
173.09692	1.7
173.13264	2.1
179.14346	4.3
185.13310	2.8
219.17448	33.7
275.20111	19.9
335.25815	43.5
349.23727	15.4
376.86563	1.5
430.17123	1.5
609.45178	100.0
610.45398	6.0
763.58929	1.7
900.15118	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	966.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	1.8
69.03423	4.1
69.07058	1.2
69.77819	2.6
69.78232	2.5
70.06588	2.0
71.04986	3.7
72.08156	1.2
73.02908	1.3
77.70995	0.9
81.03416	3.0
81.07059	1.5
83.04974	3.3
83.08607	3.4
83.24153	1.1
85.02891	7.6
87.00820	3.6
91.05468	1.0
93.07045	1.8
95.04974	54.4
95.08643	0.9
97.02874	5.1
97.06524	2.7
97.10144	1.0
98.21474	1.9
99.03844	1.2
99.04463	17.3
100.93906	0.8
105.01832	2.0
105.07031	3.1
107.08612	5.6
109.02893	2.8
109.06512	2.6
109.10169	7.7
111.08061	1.9
119.08578	2.5
121.10133	3.0
123.11705	1.5
127.03935	7.0
131.08549	2.7
133.10138	15.9
135.08075	1.7
137.05988	1.0
139.11174	1.4
145.04941	1.8
145.10132	1.3
147.11667	1.7
149.13255	2.0
151.10141	1.1
151.11200	6.5
153.07909	1.8
153.09106	25.9
153.10339	1.3
159.02893	2.4
167.14320	8.1
173.13246	7.1
175.14789	4.3
177.05435	1.3
191.14296	12.1
193.16121	1.0
209.15372	100.0
210.15735	1.6
227.16475	4.8
231.04805	1.2
343.66730	1.0
349.38373	1.2
372.46289	0.9
457.20697	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	47.0
69.03439	8.3
69.07072	19.9
71.04987	4.0
71.08636	26.4
73.02920	3.1
77.03918	1.3
79.05061	2.0
79.05499	33.3
79.05964	1.6
81.03422	10.6
81.07063	55.5
83.04987	8.9
83.08620	17.4
85.02911	13.2
85.06525	3.1
85.10187	17.6
91.03954	4.7
91.05489	31.3
93.07056	35.9
95.04987	6.7
95.08614	41.9
97.02888	9.2
97.06528	9.7
97.10175	9.3
99.04444	1.5
99.08095	3.2
99.11770	1.2
105.07034	24.2
107.04955	6.0
107.08604	23.2
109.02876	2.7
109.06509	4.6
109.10170	17.6
111.04443	1.6
111.08091	2.8
115.05429	1.3
117.07035	13.2
119.08590	17.7
121.06500	4.2
121.10148	12.3
123.08068	1.7
123.11732	5.5
125.09618	1.9
127.03944	5.3
129.05496	2.1
129.06998	5.6
131.08578	18.0
133.06543	1.4
133.10123	13.9
135.08060	3.8
135.11691	9.2
137.09596	2.9
137.13277	1.4
141.06944	1.3
143.08611	3.5
145.04959	3.0
145.06491	1.5
145.10124	11.5
147.08020	2.2
147.11708	7.3
149.09653	7.4
149.13284	8.7
151.11194	1.3
155.08568	1.9
157.10168	3.8
159.11723	10.1
161.09605	1.0
161.13278	2.0
163.05945	2.1
163.11197	4.5
165.12808	1.5
169.10095	2.0
171.11691	2.9
173.04478	2.5
173.11830	1.3
173.13264	4.0
175.11215	2.4
177.12749	2.9
179.14352	1.5
181.12242	1.6
183.11714	2.0
189.11247	1.2
189.12776	1.1
189.16524	1.2
195.13832	3.8
197.13304	1.7
199.14771	1.5
217.15814	3.1
227.12833	3.8
229.14288	5.1
229.19444	1.7
235.17015	1.4
239.17921	2.5
239.23701	4.2
247.20500	2.8
255.15874	10.4
257.19040	8.3
257.24619	1.8
267.15903	1.9
269.14505	1.6
269.17490	30.6
275.20062	26.1
283.18896	2.0
291.19580	2.8
293.17612	1.2
293.21069	4.1
309.20636	4.5
313.27380	100.0
314.27695	2.6
321.23984	1.5
331.22723	3.1
339.17957	1.2
341.26895	1.5
349.23743	25.1
367.24832	4.2
401.22885	1.3
413.21713	3.9
443.95264	1.1
467.37048	5.7
493.38947	17.3
507.40448	85.3
508.40750	3.2
511.29239	1.3
547.43652	12.2
569.45721	1.2
587.46741	36.3
588.47357	2.7
596.91223	1.0
605.47638	12.5
651.43848	1.5
710.90057	1.2
726.05841	1.2
731.50745	1.5
749.51788	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	964.6206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	42.1
69.03432	6.2
69.07069	25.6
71.04988	4.7
71.08639	22.7
71.17767	1.5
71.56889	2.3
73.02911	3.3
79.05498	32.9
81.03416	7.5
81.07062	45.2
83.04986	4.1
83.08617	18.7
85.02907	9.2
85.06533	1.9
85.10187	16.2
89.06020	3.8
91.03958	4.4
91.05489	28.7
93.07043	24.8
95.04980	4.1
95.08612	32.4
96.27110	1.5
97.02885	6.1
97.06538	11.3
97.10176	19.3
99.04455	2.5
99.67001	1.6
105.04540	1.5
105.06383	2.5
105.07038	28.1
107.04930	7.2
107.08588	29.8
109.02904	2.1
109.06544	3.0
109.10161	20.3
111.04430	1.6
111.08067	2.6
117.07021	9.4
119.08576	17.4
121.06521	2.5
121.10129	10.2
121.72438	2.0
123.11696	4.6
125.09640	17.6
127.03921	3.2
129.07082	3.7
131.08580	11.3
133.10141	13.5
135.08066	2.8
135.11679	6.2
136.82846	1.6
137.09685	1.5
137.13234	2.5
143.08580	3.0
145.10136	13.7
147.11705	7.8
149.09639	11.6
149.13303	3.4
155.08545	2.1
157.10136	4.1
159.11646	9.4
161.13239	3.0
163.11191	7.1
169.10071	3.4
171.11723	2.4
173.13245	4.0
177.12785	2.9
179.14268	3.9
183.11633	3.4
187.11191	2.3
189.11249	9.4
227.12836	38.3
229.14275	9.1
239.18011	2.6
239.23665	2.1
247.20557	3.7
257.19019	10.2
269.17462	4.4
271.26352	2.4
275.20056	43.3
293.20975	2.6
313.27368	100.0
331.22696	6.3
337.15521	1.7
349.23740	59.5
409.33154	2.0
467.37247	8.4
483.36789	5.6
491.40912	4.1
493.38730	3.9
507.40521	22.4
508.40451	1.7
516.07581	1.8
547.43939	2.1
559.47162	2.1
587.46735	79.0
587.56238	3.7
588.46729	3.9
605.47833	9.8
627.40613	2.2
651.43872	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5863
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.7
69.03442	2.6
71.01391	0.8
71.55132	0.4
73.02921	3.0
73.58681	0.5
79.05508	2.0
79.13356	0.5
81.03436	1.5
81.07055	3.2
82.38464	0.5
83.08653	0.5
85.02901	4.8
87.04517	0.6
91.03963	3.2
91.05502	1.0
93.07068	2.0
95.08638	2.5
97.02911	5.1
97.10188	0.5
99.04477	0.5
101.02407	1.6
102.42504	0.5
105.07056	1.0
107.08650	0.7
109.02914	0.6
109.10170	0.9
119.08531	0.5
121.10169	1.2
127.03969	1.8
149.79750	0.5
169.38766	0.4
185.04257	0.6
192.33025	0.5
192.39357	0.4
203.05234	0.5
243.08577	1.8
274.04184	0.5
332.04739	0.5
335.25720	1.0
347.09738	1.7
365.10580	0.6
405.13773	5.7
409.37100	0.5
466.21985	0.5
519.29413	3.8
521.31116	1.8
579.57245	0.5
681.34625	5.7
683.36243	3.0
799.53809	0.8
800.41980	0.7
845.83356	0.7
961.58636	100.0
962.58881	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	960.6622
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	33.2
69.03436	2.4
69.07069	10.6
71.04999	1.3
71.08632	18.5
71.55277	1.7
73.02895	3.3
79.05496	20.1
81.07059	39.9
83.08623	7.3
85.02905	14.4
85.06517	1.3
85.10184	9.1
91.03967	9.8
91.05478	11.0
93.07050	26.9
95.04951	2.8
95.08611	33.8
97.02896	6.2
97.06548	1.2
97.10168	5.3
99.04467	1.5
105.07040	7.7
107.08611	13.6
109.10151	14.6
111.11747	1.8
117.07014	3.7
119.08566	7.0
121.10142	14.5
123.11684	6.0
127.03933	4.5
131.08565	7.1
133.10133	7.1
135.11700	9.5
137.13275	2.3
145.04985	5.6
145.10135	5.5
147.11668	3.9
149.13260	7.0
159.11693	4.0
161.13290	3.1
163.06010	6.9
163.14807	4.0
173.13263	5.0
175.14836	1.6
177.16418	2.2
187.14812	2.5
196.72260	1.2
215.17889	1.1
243.21135	9.8
261.22150	41.7
267.26974	1.6
285.27881	1.4
317.24686	7.1
335.25818	82.5
336.26190	2.2
341.30515	100.0
342.30801	4.4
342.34885	1.2
601.51910	44.2
602.51953	2.6
619.52808	8.8
960.56378	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	959.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	14.1
69.03431	5.2
69.07073	10.3
70.06574	1.8
71.01366	1.5
71.04993	36.9
71.55814	1.2
72.08152	1.0
73.02921	6.8
75.04486	5.4
78.66943	0.7
79.05490	11.1
81.03406	2.0
81.07059	34.3
83.01333	1.3
83.04983	16.2
83.08624	5.7
84.08142	1.2
85.02906	90.0
85.06525	0.8
87.04466	2.2
91.03952	9.6
91.05480	11.5
93.07045	25.3
95.01333	17.2
95.04980	4.2
95.08607	60.7
97.02892	12.8
97.06538	7.1
97.10157	3.3
99.00812	2.0
99.04472	2.1
101.02356	1.1
103.03937	2.7
103.05470	1.5
105.07031	29.4
107.04967	1.7
107.08598	42.5
109.02882	1.6
109.06509	3.2
109.10157	47.3
111.04445	14.5
111.08086	10.7
111.11743	1.7
113.02365	2.7
114.76298	0.7
115.03938	0.9
117.07028	4.0
119.08585	38.4
121.06516	1.7
121.10146	34.3
123.04431	0.8
123.08100	2.0
123.11709	14.3
125.06014	0.9
125.09624	3.4
127.03935	8.1
129.05482	23.3
129.06961	1.7
131.03387	1.8
131.08582	10.2
133.10133	33.8
134.22757	0.7
135.04390	0.9
135.08052	1.7
135.11691	24.2
137.06007	0.9
137.09660	2.1
137.13231	5.0
139.11227	1.0
141.01834	48.5
143.08575	4.9
144.09332	1.5
145.04932	6.7
145.10120	19.1
147.04422	2.3
147.06535	14.5
147.11693	23.9
149.09641	2.1
149.13261	23.4
151.03941	1.0
151.11227	2.4
151.14824	1.3
153.05443	1.4
153.09201	1.1
153.12752	0.9
155.08607	1.2
156.09299	1.1
157.10136	9.1
159.02895	10.9
159.11699	27.1
161.09584	1.6
161.13263	28.1
163.03920	1.4
163.06013	14.6
163.11195	2.3
163.14822	16.3
165.07535	1.0
165.12772	2.4
167.07051	2.4
167.14175	0.9
169.10162	1.5
171.11642	7.0
173.13261	15.7
175.04028	0.8
175.11227	2.1
175.14832	20.2
177.03967	2.2
177.05431	1.3
177.12759	2.8
177.16386	13.9
179.14383	1.9
181.12465	0.9
183.11711	2.2
185.13272	6.4
187.14838	13.7
189.12701	1.3
189.16382	18.3
191.14256	4.0
191.17934	19.2
193.12296	2.5
193.15892	3.9
195.17506	2.1
197.13326	1.8
199.14804	7.3
201.16386	15.6
203.14336	2.8
203.17961	19.9
205.15881	10.2
205.19493	5.5
207.13872	1.6
207.17436	6.1
209.13406	0.7
209.15443	1.2
211.14819	1.6
213.16379	6.9
215.14517	0.9
215.17952	13.9
217.15968	3.8
217.19489	10.1
219.13924	1.5
219.17445	9.9
221.15375	9.2
221.18855	4.1
223.16902	4.1
225.16385	1.4
227.18015	3.3
229.15973	1.7
229.19603	4.3
229.21584	0.7
231.17456	7.5
231.21133	2.2
233.19031	10.0
235.16945	2.7
235.20538	1.1
237.18494	1.4
239.18071	0.8
241.19496	2.1
243.17435	1.7
243.21124	2.2
245.19038	5.1
245.22675	0.9
247.16890	2.0
247.20686	1.4
249.18478	7.6
253.19411	1.4
255.08630	2.3
255.21214	1.8
257.19061	1.8
257.22409	0.8
259.20636	1.5
261.18668	1.5
261.22220	1.0
263.20096	3.1
267.21014	1.5
269.06451	1.7
271.20688	1.7
271.24182	1.3
273.09705	1.7
273.22076	1.9
275.20047	1.2
277.21561	1.6
281.22739	1.1
283.06018	0.9
285.22229	1.8
287.07629	2.5
287.23569	1.0
295.23889	0.9
305.08698	6.5
309.11807	3.1
311.27319	0.9
313.25305	2.0
321.08374	0.9
323.09644	1.5
329.24814	1.3
329.28342	1.3
331.26135	1.3
339.09235	1.1
343.26385	1.1
345.28107	1.1
363.30573	3.1
381.31497	6.6
391.33685	1.6
393.35187	1.7
399.32498	5.4
403.33539	3.5
409.34573	7.3
411.36539	0.9
421.34634	35.6
422.34695	1.2
423.36600	1.6
427.35831	7.7
437.34039	1.1
439.35718	100.0
440.36005	4.3
457.36798	32.5
458.37402	1.1
579.36395	1.9
597.37988	5.1
615.38757	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	958.6465
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05174	3.0
67.05509	52.4
69.03457	2.2
69.07073	28.0
71.55730	3.3
71.56094	2.5
73.02908	4.2
79.05506	20.1
81.07062	62.9
83.08620	15.6
85.02912	16.5
85.06535	3.1
91.03951	8.3
91.05465	11.0
93.07059	23.7
93.56968	1.8
95.04951	2.0
95.08612	50.9
95.63152	2.0
97.02896	8.2
97.06518	3.4
97.10170	8.1
105.07053	11.8
107.08626	15.5
109.10152	21.2
111.08099	2.6
119.08569	8.1
121.10159	12.3
123.11723	9.4
127.03925	5.4
131.08554	3.7
133.10110	8.8
135.11725	6.3
137.13275	4.1
145.04944	5.2
145.10139	3.7
147.11679	6.0
149.13297	4.1
159.11642	2.3
161.13303	3.4
163.06024	5.4
163.14877	2.8
173.13303	2.3
175.14857	5.1
177.16408	2.2
193.99998	1.8
203.18272	1.9
243.21019	3.1
245.22581	4.1
261.22244	6.0
263.23694	4.7
317.24927	2.6
335.25806	11.8
337.27377	100.0
338.27640	2.8
339.28949	14.3
391.00311	2.0
429.10712	2.0
525.46735	3.1
533.42200	2.5
543.47406	2.5
599.41492	2.9
599.50342	40.6
617.51483	48.7
668.82300	2.0
711.97192	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	956.631
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	83.6
69.03429	3.7
69.07072	30.3
69.62755	7.0
71.04991	3.2
71.08630	2.1
73.02911	4.8
79.05495	46.0
81.03409	1.9
81.07059	90.6
83.04978	2.7
83.08621	17.3
85.02903	25.5
85.06570	2.4
85.10192	1.4
87.04458	1.1
91.03960	17.2
91.05482	28.0
92.86482	1.1
93.07044	47.6
95.04967	3.8
95.08607	72.8
97.02901	14.1
97.06534	4.3
97.10166	9.9
98.20744	2.2
99.04450	1.6
99.08062	2.2
105.06316	1.1
105.07033	23.4
107.08598	27.3
107.09299	1.9
109.02857	1.2
109.06535	4.0
109.10160	32.0
111.08096	3.5
111.11697	2.4
113.09672	1.6
115.03925	1.1
117.06998	6.7
119.08576	20.0
121.10146	26.4
121.11022	1.3
123.08066	2.6
123.11720	12.8
125.09652	2.3
127.03933	8.3
127.04757	1.2
131.08560	13.2
133.10138	19.1
135.11699	17.7
137.09628	1.2
137.13237	4.4
143.08574	2.1
145.04976	8.5
145.10135	11.8
147.11688	11.8
149.13260	13.1
151.14865	2.1
157.10083	2.0
159.11703	9.0
161.13272	8.7
163.06024	14.0
163.14806	7.5
165.16330	1.5
171.11703	1.8
173.13292	8.3
175.14801	7.5
177.16394	3.8
180.19748	1.1
185.13223	1.7
187.14857	4.3
189.16466	2.3
191.14330	1.2
201.16513	1.8
215.17813	1.2
219.20995	1.1
233.22755	1.8
241.19621	2.3
243.21046	9.9
245.22514	2.4
247.24341	1.1
259.20615	9.7
261.22153	28.4
263.23700	6.0
265.25372	1.5
275.23950	1.6
277.21701	1.3
279.23141	1.6
301.25217	1.5
317.24927	5.3
317.27963	1.1
333.24176	7.4
335.25800	95.9
336.26263	3.6
337.27368	100.0
338.27740	4.4
339.28983	8.8
517.38898	1.5
523.44977	6.0
541.46027	2.3
545.42242	1.9
597.48779	44.7
598.49194	2.9
615.49860	55.4
616.49963	2.7
775.07068	1.3
911.93127	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6153
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	59.7
68.70558	0.6
68.70970	0.7
69.03418	2.4
69.07072	16.0
70.90436	1.7
71.04980	2.6
71.08608	1.0
73.02927	3.1
75.17099	0.6
77.03873	0.6
79.05496	42.5
81.03420	1.6
81.07058	62.8
83.04980	1.6
83.08619	7.9
85.02905	18.4
85.06541	1.9
87.04417	0.7
91.03403	1.0
91.03959	12.2
91.05482	28.3
93.07047	51.7
95.04969	5.5
95.08609	51.4
97.02901	8.5
97.06539	3.4
97.10156	3.8
99.08059	1.3
103.03885	0.8
105.04514	1.3
105.07037	22.4
107.07864	1.2
107.08595	24.1
109.02892	0.7
109.06538	1.7
109.10161	22.9
110.10500	0.6
111.08087	1.9
111.11726	0.8
115.05460	1.1
117.07014	7.7
119.08582	19.0
121.10144	22.4
123.08025	1.0
123.11703	7.9
125.09653	1.0
127.03894	4.2
129.07007	1.7
131.08574	12.8
133.10139	15.8
135.10684	0.9
135.11702	15.6
137.09631	1.0
137.13219	2.4
139.11148	1.2
143.08534	1.8
145.04974	5.9
145.10117	11.1
147.11694	12.1
149.09665	1.2
149.13257	10.6
151.11143	0.9
151.14838	0.8
153.12750	0.8
156.80902	0.7
157.10143	2.3
159.11705	10.6
161.13257	9.5
163.06012	6.4
163.14830	5.2
169.10133	0.8
171.11694	2.7
173.13272	8.1
175.14809	4.3
177.16376	2.3
183.11861	0.6
185.13274	2.2
187.14764	3.8
189.16364	1.9
191.14340	1.0
199.14833	2.5
201.16356	1.4
203.17969	0.8
210.30386	0.6
211.14684	0.8
213.16399	1.2
217.19548	1.1
225.31041	0.7
231.17482	0.8
231.21089	1.2
233.22543	0.9
239.30351	0.6
241.19742	4.6
243.21150	6.0
245.22745	0.9
259.20566	9.7
261.22141	19.0
263.23712	2.3
277.21716	0.8
299.23453	0.9
315.23230	0.9
317.24689	3.8
333.24304	9.7
335.25806	100.0
336.26041	1.3
337.27417	12.1
521.43616	3.4
539.44769	0.9
595.38470	1.1
595.47241	15.1
613.48242	20.2
614.48315	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.579
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	43.9
69.03423	2.1
69.07072	10.8
71.04984	2.0
71.08636	21.0
71.56450	1.3
73.02901	2.8
79.05495	12.5
81.03424	3.7
81.06579	1.4
81.07056	23.6
83.04987	3.5
83.08618	13.3
85.02905	20.4
85.06535	1.7
85.10184	10.5
87.04462	5.1
89.06027	1.4
91.03957	4.5
91.05478	4.8
93.07042	5.7
95.04968	2.0
95.08604	20.7
97.02877	5.2
97.06536	1.6
97.10170	22.9
98.10519	0.9
99.04442	1.1
103.03970	1.6
105.07027	1.5
107.04946	1.4
107.08603	8.0
109.02828	0.7
109.10162	33.2
109.10934	1.7
111.04485	0.8
111.08064	1.5
111.11703	2.6
115.18700	0.6
117.07047	1.4
119.08605	4.7
121.06511	0.7
121.10175	1.9
123.08054	1.3
123.11706	2.8
125.09637	16.7
127.03891	1.6
131.08585	1.1
133.10147	1.6
135.08067	0.8
135.11685	1.4
137.09607	1.4
137.13252	1.0
139.03792	0.7
143.10670	4.2
144.91609	0.7
145.04971	2.2
145.10118	1.7
149.09601	0.7
153.12778	1.4
155.10707	3.0
163.06058	2.2
163.11166	3.0
173.11760	9.0
178.41551	0.7
181.12231	1.1
189.11125	0.9
191.10690	1.9
197.50072	0.7
199.13315	13.9
209.11749	3.2
217.14345	1.8
227.12807	8.0
229.14359	48.3
230.14722	1.1
257.13995	1.5
265.14496	0.8
267.15964	2.4
267.26852	3.5
283.15463	3.6
285.27887	1.6
299.14938	1.1
301.16467	27.2
319.17484	1.7
341.30505	100.0
342.30899	3.0
369.29913	3.0
378.07510	0.8
465.39490	7.4
474.22583	0.8
483.40433	17.7
483.47345	0.9
484.40887	1.0
495.40436	31.8
549.41486	1.5
567.42505	17.1
585.43890	4.1
729.48132	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05165	0.8
67.05510	9.4
69.03437	2.9
69.07072	9.0
70.68352	1.0
71.01363	1.6
71.05000	53.1
71.08630	0.6
73.02921	6.5
75.04479	6.2
79.05495	5.5
81.03439	1.6
81.07065	29.4
83.01360	0.6
83.04989	19.1
83.08627	6.3
85.02911	100.0
86.03264	0.5
86.06080	0.5
87.04482	1.8
91.03967	9.7
91.05463	4.3
93.07053	14.2
95.01332	5.8
95.04984	1.8
95.08614	50.6
97.02897	10.8
97.10183	3.7
99.00845	0.5
99.04450	2.6
101.02383	0.6
101.06043	0.7
103.03953	2.3
105.07038	9.9
107.08602	23.5
109.02896	1.9
109.06561	0.6
109.10165	29.1
111.04456	20.2
111.08097	0.8
111.11741	2.1
113.02389	1.6
113.06023	0.7
115.03922	1.7
117.06975	0.7
119.08591	13.2
121.10155	26.8
123.08120	0.6
123.11719	15.8
125.09686	0.8
127.03929	7.8
129.05489	39.0
131.03455	0.9
131.08583	5.1
131.50629	0.5
133.10146	13.6
135.04523	0.5
135.10678	1.1
135.11700	16.9
137.02309	0.6
137.13264	17.6
139.11194	1.8
141.01842	31.8
143.08586	0.8
145.04973	9.6
145.10133	6.3
146.08174	1.1
147.06534	23.7
147.11699	8.9
149.13266	18.3
151.03908	0.6
151.14806	0.9
153.05499	0.8
153.24390	0.5
155.66328	0.5
157.04895	0.6
157.10133	1.1
159.02893	10.3
159.11696	7.3
161.13274	12.1
163.06038	20.2
163.11180	0.9
163.14832	7.9
164.09196	1.5
165.07614	1.9
165.12813	1.2
171.06616	0.8
171.11749	1.3
173.04474	0.7
173.13264	6.5
175.14842	10.1
177.03995	2.1
177.05505	0.6
177.12712	0.7
177.16412	14.5
179.17973	1.9
181.04889	0.6
183.02974	0.5
185.13315	0.7
187.14853	4.6
189.07610	0.6
189.16382	7.1
191.14380	0.5
191.17952	12.7
191.19592	0.8
193.15965	0.9
193.19548	0.9
199.14874	1.1
201.16400	6.4
203.16078	0.6
203.17979	10.8
205.15970	1.5
205.19533	15.4
207.17462	2.5
213.04085	0.7
213.07544	0.7
213.16466	1.4
215.17979	8.9
217.19514	9.0
219.17451	3.1
219.21077	2.5
221.19025	2.0
225.07574	0.9
225.68552	0.4
227.18042	2.1
229.19547	11.2
231.08618	1.4
231.21034	2.7
233.19028	7.3
235.20612	0.6
237.07718	1.0
241.19554	1.1
243.21140	2.5
245.22734	2.1
247.20610	4.2
255.08659	4.2
255.21213	2.3
257.22595	3.4
259.08295	0.6
259.20636	1.0
261.22211	0.8
269.06757	2.3
269.22635	2.6
271.24313	1.0
273.09766	4.0
273.22168	1.2
275.23721	2.9
283.24225	1.4
285.06024	0.6
287.07666	6.1
287.23721	2.0
297.25858	1.3
301.25327	1.3
303.07178	0.8
305.08682	11.0
309.11829	7.3
311.27469	0.7
313.29102	1.2
321.08289	2.0
323.09808	4.1
339.09308	3.1
353.32114	1.7
355.30023	0.6
395.04684	0.6
407.36755	22.0
408.37292	0.7
425.37814	61.4
426.37692	2.3
563.68250	0.5
889.47644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5997
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	10.8
69.03422	1.5
69.07072	5.9
71.04990	1.4
71.08636	17.0
79.05491	6.2
81.03423	49.1
81.07060	12.1
83.04978	3.1
83.08619	14.7
83.75659	1.0
85.02911	4.3
85.10187	11.0
87.49742	0.9
91.03967	2.5
91.05502	10.2
93.07044	4.3
95.04971	16.7
95.08611	13.7
97.02884	3.0
97.10191	4.8
99.11759	1.2
105.07031	6.0
107.04950	3.6
107.08595	2.5
109.05019	1.0
109.06515	1.8
109.10165	4.7
111.08102	4.3
111.11770	1.4
119.08631	5.5
121.06506	2.6
121.10153	4.1
123.11698	2.8
129.07007	4.6
131.08582	5.0
133.06494	1.7
133.10156	2.6
136.06177	1.2
137.09573	2.3
137.13242	1.2
142.07817	1.9
147.08012	2.0
147.11635	4.8
149.09634	2.8
157.10184	5.3
163.11154	1.7
165.12743	1.5
175.11166	6.2
193.12260	20.4
235.13391	2.0
249.14879	1.2
259.13373	1.4
267.15933	100.0
268.16385	1.9
273.14859	1.8
301.14435	3.5
309.16953	1.7
341.30521	95.8
342.31018	3.3
395.66705	1.1
533.42047	80.7
534.42157	4.3
575.43042	6.7
629.43689	2.4
641.44312	1.9
659.45197	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	13.5
68.99803	0.9
69.03442	3.4
69.07069	8.1
69.83936	2.6
70.06624	0.8
71.01381	3.3
71.04998	42.9
73.02919	7.4
75.04486	5.3
77.03937	0.8
79.05497	8.2
81.03413	1.3
81.06574	1.4
81.07061	29.3
83.04984	16.3
83.05390	0.4
83.08630	5.8
85.02909	86.1
85.06525	1.2
87.04473	1.7
87.33624	0.6
91.03967	7.6
91.05477	8.5
93.07053	23.4
95.01332	23.4
95.04993	1.9
95.08611	60.7
96.01667	0.7
96.08911	0.8
97.02896	10.8
97.06528	1.8
97.10171	4.1
98.20734	0.7
99.00835	1.8
99.04464	1.8
99.08131	1.0
101.02367	0.9
101.06011	0.8
103.03951	3.0
105.07037	21.3
106.07442	0.8
107.08601	41.9
109.02890	1.7
109.06547	1.4
109.10163	48.2
111.04453	11.9
111.08080	9.9
111.11735	2.6
113.02402	3.7
113.09628	1.2
115.03924	1.2
117.07039	2.0
119.08588	30.2
121.06544	0.9
121.10148	32.9
123.00772	1.8
123.08089	1.1
123.11714	17.1
125.09650	2.6
127.03927	6.7
129.05492	21.0
129.06940	1.0
131.03427	2.3
131.08572	8.4
133.10139	30.4
134.10498	0.8
135.11697	22.5
135.12698	1.1
137.09621	1.2
137.13263	4.9
139.11192	4.7
141.01833	64.2
143.08601	2.7
144.09309	0.9
145.04962	6.5
145.10141	15.2
146.10780	0.8
147.06525	14.3
147.11691	22.0
149.13269	22.0
151.11182	3.0
151.14838	1.7
153.12801	1.7
157.10149	4.0
158.10947	0.7
159.02913	13.4
159.11703	16.7
161.13263	21.6
163.06039	11.2
163.11229	1.9
163.14830	19.6
165.07672	1.4
165.12779	2.8
165.16422	0.8
171.06659	0.9
171.11690	3.4
173.13287	11.9
175.14827	18.4
175.16245	1.3
177.04004	3.1
177.12778	1.2
177.16394	17.6
179.14290	0.9
179.17986	1.8
183.11716	0.9
185.13261	2.3
187.14848	10.7
189.16379	19.5
191.14386	1.8
191.17938	10.3
193.15886	4.9
195.17468	7.3
199.14827	3.9
201.16399	17.0
203.17964	34.0
205.15901	5.8
205.19522	4.1
207.17502	8.5
211.15016	1.0
213.16368	3.6
215.17966	14.7
217.15924	2.6
217.19539	18.7
219.17456	10.5
219.20941	0.7
221.19009	9.7
225.16431	1.2
227.17964	5.4
229.19528	15.7
231.08582	0.7
231.17490	2.4
231.21149	2.3
233.19016	8.8
235.20697	1.9
239.17926	0.8
241.19594	2.7
243.21066	6.1
245.19061	3.8
247.20607	10.7
253.19597	1.4
255.08688	1.9
255.21097	3.5
257.22586	5.3
257.24722	0.6
259.08133	0.8
259.20731	1.7
261.22119	3.0
267.21045	1.2
269.06543	1.3
269.22690	4.1
271.24271	1.7
273.09821	1.4
273.22275	1.8
275.23767	2.8
281.22571	1.7
283.24268	2.6
287.07684	2.0
287.23883	1.5
295.24249	1.8
297.25696	2.4
299.23795	1.1
301.25388	1.9
305.08728	5.2
309.11816	2.7
311.27338	1.8
313.25262	2.0
315.26776	5.0
321.08246	1.1
323.09860	2.2
329.28342	2.4
339.09201	0.9
351.18030	1.0
351.30731	1.0
363.30524	1.1
365.19717	1.1
365.32086	4.6
367.29971	0.9
369.31470	1.4
374.98288	0.6
379.21411	1.0
383.33014	6.8
405.29874	0.8
405.35208	15.1
411.36185	3.4
423.36230	100.0
424.36548	3.4
441.37305	88.7
442.37509	3.5
551.41040	1.0
581.38324	8.0
599.39502	16.2
600.39880	1.2
617.41125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	1.6
68.94409	0.5
69.03442	3.4
69.07017	0.5
69.86548	0.9
69.86966	1.7
73.02919	4.0
79.05501	1.2
81.03430	1.2
81.07074	2.3
85.02902	4.3
91.03959	2.9
91.05513	0.7
93.07083	1.1
95.08607	2.1
97.02905	4.7
98.21478	0.5
99.04485	0.7
101.02406	1.1
105.07040	0.5
107.08630	1.1
109.02866	0.6
109.10164	0.8
119.08650	0.5
119.87916	0.4
121.10178	0.8
127.03944	1.5
131.08580	0.6
183.58897	0.5
185.04344	0.9
203.05286	0.6
209.93616	0.5
232.01576	0.5
243.08420	2.4
335.25803	0.5
347.09683	1.9
363.09042	0.6
365.10703	1.3
366.22919	0.4
405.13712	5.7
437.66129	0.5
459.49731	0.4
497.30862	3.4
519.29358	5.0
599.85236	0.5
659.36005	3.6
681.34277	5.1
775.52844	0.9
799.09869	0.5
834.18939	0.5
937.58649	100.0
938.58826	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	936.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	3.1
67.05508	62.3
69.03419	3.8
69.07070	13.8
70.06589	1.8
71.04990	4.0
72.08151	1.5
73.02914	2.7
79.05491	50.4
81.03419	83.9
81.07059	66.6
83.04981	4.9
83.08617	22.3
85.02901	9.9
85.06558	1.9
91.03954	6.4
91.04896	2.0
91.05480	35.0
93.07049	51.1
95.04970	34.2
95.08617	48.2
97.02899	7.1
97.06535	5.2
97.10184	7.6
99.08126	1.4
105.07032	25.5
106.94910	1.3
107.04946	5.7
107.08594	33.5
109.06519	4.6
109.10159	21.4
111.08074	8.6
117.07041	7.3
119.08580	27.4
121.06496	6.3
121.10145	25.8
123.04433	2.6
123.08087	4.9
123.11690	6.5
125.09635	5.5
127.03958	2.1
128.06209	1.6
129.07011	9.5
131.08566	21.1
133.06477	4.1
133.10149	16.7
135.08084	2.6
135.11682	16.6
137.09613	2.8
137.13222	3.2
143.08536	3.3
145.04990	2.5
145.10126	11.6
147.08063	4.6
147.11705	16.7
149.09634	4.3
149.13257	10.0
150.01663	1.4
151.14824	1.7
153.57428	1.5
157.10132	11.6
159.11707	9.1
161.13251	7.8
163.06026	2.2
163.11174	4.6
163.14828	5.6
169.10126	2.5
171.10126	2.0
171.11662	4.0
173.13257	6.2
175.11194	10.9
175.14806	3.3
185.13246	2.0
187.14847	3.2
189.11244	4.5
189.12791	2.0
193.12236	21.7
201.16475	1.6
211.13341	1.9
223.13448	1.6
227.12770	6.3
235.13396	2.3
243.21062	7.0
249.14842	3.2
255.13625	1.6
261.22128	23.8
267.15921	93.1
279.22980	1.7
285.22067	1.9
299.23758	2.0
301.14450	3.5
301.25150	6.8
309.16965	5.0
317.24908	3.4
335.25793	100.0
336.25909	3.0
359.25906	1.5
417.26221	1.9
421.25479	3.0
435.27347	2.7
435.32593	6.1
453.33771	7.8
471.34457	4.6
472.48874	1.6
497.30643	1.5
509.35770	2.6
527.37341	79.8
528.37714	2.6
545.38379	71.8
559.39648	2.2
569.38367	11.6
587.38885	2.0
609.07141	1.6
611.38824	2.8
622.83759	1.8
623.39087	3.2
635.39374	4.0
653.40649	2.0
671.41058	3.6
814.04211	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.0
67.05511	16.7
69.03438	9.7
69.07072	6.1
71.01364	1.5
71.04996	1.5
71.08624	1.0
71.56905	0.8
73.02921	8.1
79.05504	10.0
80.47789	0.5
81.03426	4.1
81.06590	0.7
81.07066	13.6
83.04987	1.7
83.08619	4.1
85.02909	19.6
85.10188	0.9
86.06067	3.3
87.04465	0.6
91.03963	10.7
91.05484	10.5
91.22276	0.5
93.07046	11.7
95.04983	1.4
95.08608	13.7
97.02899	18.6
97.03520	1.1
97.06528	1.2
97.10175	2.1
99.04454	2.4
101.02396	2.4
101.77265	0.6
103.03927	0.7
103.05499	0.6
105.07035	9.2
105.07706	0.9
107.08596	7.8
109.02909	1.9
109.10165	5.6
111.04503	0.7
111.08102	0.6
115.03926	1.0
115.05465	1.1
117.07020	4.9
118.27818	0.6
119.08596	7.1
121.10154	4.5
123.08106	0.9
123.11712	1.7
125.09699	0.6
127.03925	5.2
128.06236	1.9
129.07005	6.4
130.07776	0.6
131.08574	6.7
133.10139	4.9
135.11702	2.6
137.09703	0.5
137.13184	0.6
141.07007	4.5
142.07819	2.4
143.08598	7.3
145.04958	4.0
145.10112	7.9
147.11707	3.7
149.13283	1.5
153.07062	1.3
154.07848	0.7
155.08559	6.5
156.09402	1.2
157.10123	8.6
159.08060	0.8
159.11674	6.1
161.13306	2.3
163.06009	0.9
165.07024	0.9
167.08565	4.2
168.09377	0.9
169.10109	8.4
170.11005	0.7
171.11707	6.9
173.13306	3.3
175.11311	0.6
175.14977	1.3
179.08611	1.5
180.09273	0.8
181.10115	4.6
182.10985	0.7
183.11694	8.8
185.13240	4.5
187.14915	1.7
189.16409	1.0
193.10165	2.3
195.11714	5.7
196.12485	1.1
197.13278	7.1
199.14835	3.4
201.16397	1.1
203.08882	0.6
207.11775	2.0
209.13272	5.4
211.14853	4.4
213.16385	2.2
215.18024	0.9
219.11722	0.8
220.12486	0.6
221.13313	2.8
223.14883	4.1
225.16376	3.7
227.17998	1.5
230.65778	0.6
233.13319	0.9
235.14815	1.7
237.16414	3.2
239.18088	1.7
241.19630	0.7
245.13303	0.7
247.14735	1.1
249.16447	0.8
251.18010	1.3
253.19534	1.1
261.22171	1.2
262.22437	0.7
263.18088	1.4
265.19492	1.2
267.21054	0.7
275.18005	0.7
277.19440	0.8
279.20996	0.7
281.22656	0.8
293.19022	0.6
309.22171	0.7
313.27399	2.7
314.27768	1.4
321.22122	0.8
335.25766	2.0
336.26117	1.2
337.25397	1.2
339.23074	0.7
351.26724	1.1
365.28470	1.0
369.27847	0.7
377.28470	0.8
393.27441	0.6
407.29587	0.8
447.32507	0.7
449.34177	0.6
461.33759	0.7
473.33228	0.8
487.34528	0.7
506.39758	0.7
517.40497	4.1
525.35815	0.9
535.41406	2.5
539.37451	1.3
541.39240	1.4
591.44067	5.3
607.43433	3.2
609.45166	100.0
610.45581	5.8
621.45264	2.1
623.47321	0.7
625.42297	0.8
627.46338	0.7
633.44556	1.1
651.46112	2.2
661.44965	0.7
675.46027	0.7
699.46222	0.9
717.47577	1.2
735.48419	2.5
753.49719	3.6
771.50446	27.5
772.50385	1.6
848.19934	0.8
933.55853	7.5
934.56989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.9
67.05507	32.8
67.05869	1.5
68.05843	0.6
69.03410	2.2
69.06735	0.7
69.07072	10.6
70.68105	0.5
70.68436	1.3
71.04974	1.7
71.08631	18.4
71.22895	0.5
73.02926	4.1
74.01602	0.5
75.04445	0.6
77.03915	0.6
79.05492	20.6
80.05822	0.5
80.63497	0.5
81.03406	1.3
81.07059	41.0
83.04945	1.0
83.08619	9.8
85.02907	15.9
85.06548	0.9
85.09717	1.0
85.10184	11.5
89.06042	1.4
91.03411	0.8
91.03954	10.5
91.04963	0.8
91.05484	10.9
93.07045	27.5
95.04943	1.9
95.08609	39.4
96.04491	0.7
97.02890	9.2
97.06521	1.3
97.10181	4.8
99.04447	1.5
99.08061	1.1
103.07543	1.1
105.07036	8.2
107.08602	15.8
109.06532	0.8
109.10162	18.7
111.08058	1.2
111.11710	1.3
113.09630	0.8
115.03918	0.8
117.07032	3.0
119.08590	8.3
121.09322	0.9
121.10152	13.8
123.08069	0.9
123.11710	7.9
127.03952	4.7
129.05605	0.8
131.08572	6.0
133.10127	5.7
135.11681	8.2
137.13245	2.3
145.04953	5.5
145.10144	5.7
147.11708	4.3
149.13275	6.6
151.14809	0.8
159.11710	5.6
159.68069	0.5
161.13251	3.9
163.06026	6.3
163.11197	0.5
163.14769	4.2
173.13283	5.1
175.14821	1.8
177.16360	1.9
180.08585	0.6
187.14836	2.0
189.12703	0.6
201.16331	1.2
233.22643	1.8
239.23717	3.1
243.21112	10.1
257.24817	2.2
261.22153	40.3
262.22400	0.6
279.23196	1.3
291.23062	1.1
302.46332	0.6
313.27371	100.0
314.27692	2.1
317.24728	6.0
320.98593	0.6
335.25800	80.9
336.26297	2.3
499.45227	1.4
573.48767	44.1
574.48877	1.8
591.49762	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	924.532
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	7.9
69.03422	2.1
69.07077	7.9
70.06580	2.0
71.01356	6.2
71.08636	0.6
71.14666	1.3
72.08142	0.7
73.02923	4.9
75.04478	1.4
79.05489	4.2
81.07063	17.2
83.08621	4.4
85.02906	23.6
91.03954	11.7
91.05493	4.1
93.07042	10.8
95.01332	6.2
95.04976	0.7
95.08613	37.1
96.08932	0.7
97.02895	10.1
97.10180	3.7
99.00819	0.9
99.04453	1.0
101.02388	11.3
102.90291	0.5
103.03941	1.4
105.07039	10.5
107.08599	18.0
109.02885	0.6
109.10162	21.3
111.11716	1.3
113.02382	1.3
115.03966	0.6
117.06983	0.8
119.08588	14.2
121.09320	1.1
121.10152	17.1
123.11718	10.6
127.03928	39.5
131.03398	0.5
131.08571	3.3
133.10141	13.5
135.11697	12.1
137.13271	7.9
141.01839	22.7
143.08549	0.8
145.04968	27.3
145.10123	6.3
147.11714	10.8
149.13245	7.5
151.14819	0.9
157.10237	1.2
158.10965	0.5
159.02893	6.7
159.11736	7.4
161.13249	8.2
163.06018	18.8
163.14844	7.2
171.11636	1.4
172.12367	0.8
173.13242	3.8
174.09254	0.6
175.14842	5.5
177.03995	2.0
177.16391	10.5
179.17970	2.3
185.13280	1.5
187.14784	4.8
189.16391	9.1
191.17960	12.1
199.14781	1.5
201.16380	10.4
203.17961	11.0
205.19556	2.6
207.17427	1.5
213.16435	1.6
215.17993	6.6
217.19531	12.0
219.21181	1.4
227.17886	2.3
229.19539	8.1
231.21042	3.6
241.19577	2.0
243.21075	4.2
245.22792	1.0
253.19437	0.7
255.21082	6.2
257.22696	5.4
269.22678	6.2
271.24112	1.8
283.24207	2.0
297.25757	1.6
311.27408	0.8
321.08316	1.3
323.27576	0.8
337.28961	1.3
351.30585	0.7
407.36737	100.0
408.36932	3.3
425.37875	2.7
551.40906	0.9
647.06500	0.6
919.02283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49660	0.3
65.03934	0.5
67.05164	0.6
67.05507	8.0
68.99799	0.5
69.03429	2.2
69.07073	7.1
69.57428	2.3
70.06581	0.6
71.01359	9.9
71.04987	0.5
71.08637	0.6
73.02552	0.5
73.02922	6.4
73.20975	0.4
75.04485	3.0
77.03912	0.7
79.05498	5.3
81.03410	1.1
81.07061	18.9
83.01361	0.5
83.08617	3.7
85.02910	32.6
91.03963	9.4
91.05469	4.9
93.06469	0.8
93.07053	15.2
95.01334	17.2
95.04962	0.6
95.08611	42.3
97.02901	10.1
97.10173	1.9
99.00821	1.7
99.04463	1.8
99.08128	0.5
101.02386	20.3
103.03951	1.8
105.07037	15.9
107.08600	23.5
109.02870	1.1
109.06525	0.9
109.10162	26.1
111.08082	4.9
111.11714	2.0
113.02370	2.2
115.03929	0.6
115.05473	0.4
117.06990	1.7
119.08586	21.9
121.10151	18.5
123.00871	0.4
123.08087	0.8
123.11716	10.9
125.09576	0.5
127.03924	52.0
129.06998	0.9
131.03416	1.5
131.08566	5.7
133.10139	18.7
135.11705	14.9
137.13252	2.7
139.11180	1.3
141.01834	41.2
143.08595	2.2
144.09311	0.5
145.04968	52.2
145.10138	11.4
146.05182	0.4
147.11693	16.7
149.13261	12.0
151.11214	1.1
151.14810	0.8
157.10168	3.9
158.10950	0.7
159.02904	5.9
159.11702	14.4
161.13271	15.8
163.06023	9.5
163.14827	8.6
165.12773	1.3
165.16338	0.7
167.14291	0.5
169.10097	0.7
170.10919	0.6
171.11671	3.3
171.12674	0.3
172.12419	0.4
173.13275	7.7
175.14828	10.3
175.16255	0.7
177.03946	1.1
177.16400	13.4
179.14319	0.6
179.17932	2.2
183.11737	0.7
185.13258	3.0
187.14832	9.2
189.16389	12.8
191.14333	0.7
191.17960	6.1
191.19580	0.6
193.15887	2.0
195.17500	0.5
197.13315	0.9
199.14813	4.0
201.16400	18.2
203.14413	0.8
203.17964	17.2
205.15881	5.5
205.19501	3.6
207.17479	3.5
208.89328	0.4
211.14844	0.9
213.16394	4.6
215.17957	8.2
217.16161	2.8
217.19522	16.4
219.17474	3.3
219.21019	1.7
221.18950	0.4
225.16414	0.8
227.17966	7.2
229.19504	7.4
231.17503	0.9
231.21054	2.5
233.18997	1.2
235.20570	0.6
239.18071	0.8
241.19498	2.9
243.21095	4.1
245.19022	2.6
245.22601	1.2
247.20564	0.9
253.19539	1.1
255.21080	3.7
257.22675	4.1
259.20624	1.2
259.24243	0.5
261.22192	1.1
265.19440	0.4
267.21164	1.6
269.22638	4.5
271.20804	0.4
271.24240	1.7
273.22278	0.5
281.22693	1.6
283.24149	1.8
285.22031	0.6
295.24222	1.5
297.25754	2.3
299.23859	0.6
309.25888	0.7
311.27328	1.2
313.25317	1.4
349.28879	0.9
363.30722	0.6
365.32074	6.8
393.35168	1.1
395.36789	0.6
403.33630	0.4
405.35187	25.4
406.35440	0.9
423.36227	100.0
424.36810	2.7
441.37265	2.1
465.37625	0.4
500.75031	0.5
537.39404	1.0
549.39392	1.2
567.40411	2.4
581.38458	6.8
599.39386	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	923.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	8.9
68.26902	0.5
69.03416	2.1
69.07069	7.7
69.53439	2.3
69.53859	1.5
70.06595	3.4
71.01353	11.8
71.04979	0.7
73.02921	5.8
75.04491	2.5
79.05489	4.7
81.03402	1.1
81.07057	19.5
83.01324	0.8
83.04984	0.8
83.08614	4.2
85.02908	33.9
85.06575	0.5
85.56598	0.5
86.09714	0.6
91.03957	11.2
91.05480	5.4
93.07047	15.1
95.01331	18.7
95.04955	1.5
95.08611	39.4
97.02887	11.0
97.10169	2.6
99.00813	1.4
99.04440	1.9
101.01712	1.1
101.02382	22.0
103.03945	2.5
105.07033	18.2
107.08596	26.2
109.02879	0.7
109.06527	0.8
109.10160	26.5
111.08080	6.5
111.11729	2.8
113.02345	2.1
115.03986	0.9
117.07034	1.5
119.08584	22.5
121.10146	20.9
123.00793	1.1
123.08095	0.5
123.11707	11.6
127.03922	55.6
128.06242	0.7
129.07024	1.6
130.07774	0.7
131.03395	1.1
131.08569	5.5
133.10136	19.7
135.11693	15.7
136.93604	0.5
137.13249	3.4
139.11174	2.1
141.01830	42.2
141.10170	0.7
143.08546	3.4
144.09392	0.7
145.04962	52.3
145.10124	13.1
147.11688	16.4
149.13261	13.6
151.11209	1.5
151.14809	1.0
156.09344	0.6
157.10136	3.5
159.02928	5.0
159.11696	12.6
161.11975	0.9
161.13268	15.2
163.06032	9.1
163.14835	8.7
165.12785	1.2
169.09962	0.7
171.11650	2.6
173.13266	9.6
175.14847	10.5
177.04021	1.1
177.16400	12.2
179.14412	0.6
179.17976	2.6
183.11703	0.9
185.13268	3.1
187.14845	8.2
189.16371	13.8
190.16762	0.7
191.14380	0.8
191.17960	7.1
193.15865	2.0
195.17516	0.8
197.13249	1.5
199.14763	3.4
201.16373	17.5
203.17953	16.5
205.15868	5.1
205.19536	4.7
207.17418	3.1
213.16422	3.5
215.17946	8.7
217.16142	3.8
217.19513	16.4
219.17410	3.3
219.21053	1.3
225.16545	1.2
227.18010	5.8
229.19530	9.5
231.17487	1.1
231.21072	2.1
232.70674	0.6
233.18941	1.2
235.20607	1.2
239.17986	1.0
241.19559	2.5
243.21098	5.0
245.19012	2.0
245.22626	0.8
253.19482	1.0
255.20979	3.8
257.22595	3.9
259.20621	1.5
259.24207	0.6
261.22186	1.2
267.21243	0.7
269.22632	4.5
271.20706	1.0
271.24155	1.2
273.22418	0.9
281.22620	1.7
283.24231	2.2
285.22183	0.6
295.24271	2.1
297.25800	2.2
307.23926	0.6
309.25726	0.7
311.27338	1.4
313.25217	1.6
365.32065	7.5
393.35226	1.2
405.35172	24.4
406.35504	0.8
423.36212	100.0
424.36639	3.7
441.37354	3.1
451.35159	0.6
549.39343	1.6
567.40149	2.5
581.38367	7.0
599.39636	5.1
912.88678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.6
67.05509	47.6
68.16872	0.7
69.03432	2.3
69.07068	9.5
69.22247	0.6
69.47060	5.8
71.04994	17.3
73.02905	2.0
79.05495	27.2
81.03430	2.4
81.07061	74.3
83.04993	3.4
83.08625	7.4
85.02923	7.8
85.06533	5.5
91.03955	4.8
91.05484	25.2
93.07047	33.1
95.04986	2.5
95.08613	25.0
97.02915	5.2
97.06532	3.8
97.10182	2.3
98.20745	1.2
99.04456	1.2
99.08096	1.1
105.07034	13.7
106.91124	0.8
107.08600	17.3
109.02911	0.8
109.06528	1.5
109.10162	11.6
109.59620	0.6
111.08105	2.0
117.07025	5.0
119.08598	7.7
121.10140	13.2
121.66377	0.8
123.08075	1.0
123.11713	12.0
127.03904	1.9
129.06999	0.8
131.08578	8.5
133.10136	15.6
135.11694	8.6
139.11169	0.8
145.05005	2.3
145.10168	4.5
147.11662	3.9
149.09576	0.7
149.13243	4.8
151.11206	3.6
154.29785	0.7
157.10120	0.9
159.11700	4.9
161.13287	2.9
162.07765	1.4
162.70183	0.6
163.06004	1.0
163.14819	1.2
173.13322	2.9
177.12773	2.6
179.14290	1.0
183.13846	2.3
187.13319	2.5
187.14841	1.0
195.13785	1.2
227.16431	1.3
234.19200	0.7
243.15901	1.1
246.08620	0.7
257.17422	0.8
261.22220	2.2
263.16934	0.7
269.17572	4.7
282.83939	0.7
301.20068	8.5
317.24890	0.9
335.25818	19.6
338.12888	0.7
338.19464	0.7
373.13834	0.6
411.32639	1.2
485.36423	1.5
503.37332	65.7
504.37637	2.7
517.38892	2.7
529.38910	16.0
547.39465	1.0
561.41522	100.0
562.41797	4.0
705.45447	2.9
906.26880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.6
67.05509	47.6
68.16872	0.7
69.03432	2.3
69.07068	9.5
69.22247	0.6
69.47060	5.8
71.04994	17.3
73.02905	2.0
79.05495	27.2
81.03430	2.4
81.07061	74.3
83.04993	3.4
83.08625	7.4
85.02923	7.8
85.06533	5.5
91.03955	4.8
91.05484	25.2
93.07047	33.1
95.04986	2.5
95.08613	25.0
97.02915	5.2
97.06532	3.8
97.10182	2.3
98.20745	1.2
99.04456	1.2
99.08096	1.1
105.07034	13.7
106.91124	0.8
107.08600	17.3
109.02911	0.8
109.06528	1.5
109.10162	11.6
109.59620	0.6
111.08105	2.0
117.07025	5.0
119.08598	7.7
121.10140	13.2
121.66377	0.8
123.08075	1.0
123.11713	12.0
127.03904	1.9
129.06999	0.8
131.08578	8.5
133.10136	15.6
135.11694	8.6
139.11169	0.8
145.05005	2.3
145.10168	4.5
147.11662	3.9
149.09576	0.7
149.13243	4.8
151.11206	3.6
154.29785	0.7
157.10120	0.9
159.11700	4.9
161.13287	2.9
162.07765	1.4
162.70183	0.6
163.06004	1.0
163.14819	1.2
173.13322	2.9
177.12773	2.6
179.14290	1.0
183.13846	2.3
187.13319	2.5
187.14841	1.0
195.13785	1.2
227.16431	1.3
234.19200	0.7
243.15901	1.1
246.08620	0.7
257.17422	0.8
261.22220	2.2
263.16934	0.7
269.17572	4.7
282.83939	0.7
301.20068	8.5
317.24890	0.9
335.25818	19.6
338.12888	0.7
338.19464	0.7
373.13834	0.6
411.32639	1.2
485.36423	1.5
503.37332	65.7
504.37637	2.7
517.38892	2.7
529.38910	16.0
547.39465	1.0
561.41522	100.0
562.41797	4.0
705.45447	2.9
906.26880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	52.0
69.03432	3.6
69.06730	1.0
69.07072	10.7
71.04996	2.4
71.08637	23.5
73.02928	2.8
79.05054	1.3
79.05493	13.6
81.03451	4.6
81.07061	25.7
83.04971	3.5
83.08623	17.4
85.02425	1.6
85.02911	19.3
85.06545	1.8
85.10182	13.3
87.04458	4.5
89.06045	1.8
91.03965	4.7
91.05470	6.4
92.34768	1.0
93.07072	5.3
95.04980	2.6
95.08607	22.6
95.52613	1.0
97.02895	5.8
97.10166	17.7
103.07561	1.2
105.07024	2.6
107.04945	2.3
107.08588	8.9
109.10162	43.7
111.04450	1.7
111.08115	2.3
111.11693	1.5
117.07024	1.3
119.08594	4.8
121.10172	2.3
123.11688	3.0
125.08762	1.2
125.09645	17.2
127.03931	2.0
131.08612	1.6
133.10150	1.3
135.11722	1.8
137.09572	2.2
137.13286	1.7
143.10698	2.6
145.04961	2.3
145.10126	2.2
155.10632	2.2
163.05981	1.5
163.11168	2.2
173.11758	12.3
191.10722	1.4
193.12238	1.1
199.13330	10.5
209.11667	3.1
212.58638	0.9
217.14362	0.9
227.12816	5.8
229.14365	57.6
239.23665	3.6
257.13745	1.6
257.24722	1.9
265.14114	1.0
267.15817	1.4
283.15381	3.8
297.17139	1.7
301.16483	27.1
313.27374	100.0
314.27396	2.0
335.25873	2.0
341.26813	1.7
418.36057	1.0
437.36258	5.3
455.37314	15.6
467.37344	32.5
468.37399	1.7
505.38922	1.6
521.38300	3.0
539.39392	14.9
557.39734	3.5
844.71539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.4
67.05508	48.9
69.03432	2.7
69.06727	0.9
69.07073	11.4
69.24395	5.2
69.24818	1.1
71.01334	1.1
71.04980	2.6
71.08634	21.1
73.02915	2.2
76.63639	0.6
79.05495	13.5
81.03423	3.8
81.07065	26.2
82.07382	0.6
83.04987	4.8
83.08626	15.9
85.02912	20.5
85.06568	1.4
85.09710	1.0
85.10188	11.5
87.04465	6.0
89.06014	1.2
89.38450	0.7
91.03962	6.9
91.05480	7.1
93.07050	5.6
95.04974	1.9
95.08610	22.0
97.02886	6.8
97.06525	2.1
97.10177	22.2
99.04489	0.9
99.08140	0.6
103.03951	1.6
103.07574	1.3
103.80569	0.5
105.07027	2.6
105.23661	0.6
107.04945	1.1
107.08596	7.6
109.10162	40.6
111.04451	0.9
111.08086	1.9
111.11697	0.6
115.03975	0.7
117.07033	2.1
119.08602	4.2
121.10123	3.0
123.11712	3.8
125.09640	17.6
127.03918	2.7
129.37424	0.6
131.08563	1.4
135.08061	0.8
135.11691	2.4
137.09619	1.8
137.13232	1.1
143.10716	3.8
145.04965	2.5
145.10121	2.8
153.12749	1.6
155.10674	2.3
163.06020	2.6
163.11160	2.8
169.12309	0.7
173.09628	1.1
173.11757	10.8
180.53958	0.6
181.12242	1.3
191.10687	1.8
199.13313	11.7
199.15013	1.1
209.11652	3.1
217.14438	1.0
227.12782	12.0
229.14365	54.8
230.14644	0.6
239.23680	4.9
257.13846	1.2
257.24741	2.3
267.15900	1.9
283.15372	4.5
291.36603	0.7
299.14902	0.8
300.15131	1.1
301.16464	32.7
313.27377	100.0
314.27750	3.3
319.17508	1.8
335.25656	1.3
341.26855	2.8
437.36276	5.5
455.37347	17.6
467.37335	31.1
468.37698	1.7
503.38046	0.7
505.38626	1.6
521.38556	2.0
539.39404	16.8
557.40375	5.4
701.44818	1.1
719.46008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.7
67.05511	12.0
69.03403	2.0
69.07072	6.8
69.90787	2.3
71.04977	1.1
71.08641	16.5
72.51567	0.6
73.02914	0.8
73.15744	0.6
74.45699	0.6
79.05500	8.7
81.03424	53.6
81.07063	14.1
83.04975	3.0
83.08627	17.2
85.02911	5.9
85.09729	0.9
85.10186	11.2
87.04424	0.6
89.06030	1.1
91.03958	3.0
91.04988	0.9
91.05489	10.4
93.07066	4.8
95.04384	1.0
95.04977	17.8
95.08616	15.4
97.02903	3.8
97.06515	1.5
97.10175	3.8
99.08072	0.8
103.07601	0.9
105.07033	8.4
107.04955	3.7
107.08621	2.8
109.02837	0.6
109.06499	2.0
109.10161	8.3
111.04413	1.7
111.08086	4.8
111.11693	0.9
115.05474	0.9
117.06975	1.2
117.85638	0.5
119.08591	7.4
121.06483	2.2
121.10150	4.2
123.04431	1.1
123.08037	1.3
123.11697	3.0
127.03883	1.5
129.07036	6.3
131.08568	5.3
131.67085	0.6
133.06464	2.2
133.10165	3.2
135.11714	0.6
137.09657	0.9
137.13219	1.4
142.07745	1.8
145.04924	1.7
145.10083	1.5
147.04405	1.1
147.08035	2.7
147.11696	5.0
149.09618	3.1
151.14867	0.7
157.10124	7.7
159.80313	0.6
163.05977	2.4
163.11162	0.8
165.12715	1.6
171.11722	0.7
175.11191	7.1
193.12270	23.2
203.72905	0.6
205.12221	0.9
211.13332	1.1
231.13809	0.8
235.13327	1.7
238.03688	0.7
239.23637	2.0
243.14336	0.6
249.14871	1.3
257.24762	1.9
259.13321	1.5
267.15933	98.3
268.16257	2.1
273.14825	1.0
301.14337	2.0
309.17029	3.4
313.27380	100.0
314.27722	2.4
317.32486	0.7
333.16714	0.6
505.38922	85.3
506.39481	2.7
523.40204	1.8
547.39917	5.4
548.40485	0.8
555.40247	1.2
601.40887	2.6
613.40607	1.6
631.42108	1.7
649.43103	1.7
765.71777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05172	1.1
67.05510	13.9
69.03432	14.7
69.06713	1.2
69.07072	14.9
70.39729	1.8
70.40086	1.2
71.01355	4.4
71.04997	50.7
71.08631	1.7
73.02921	14.4
73.83256	0.7
75.04481	4.2
79.05491	8.0
81.03416	1.9
81.07063	41.6
83.04987	22.2
83.08623	8.2
85.02910	88.6
85.06541	0.7
87.04487	3.2
91.05476	5.5
93.06469	1.4
93.07048	19.5
94.56902	0.6
95.01347	4.5
95.04975	2.6
95.08614	74.5
97.02897	35.4
97.06525	1.2
97.10168	5.8
99.00803	0.9
99.04464	3.1
101.05994	1.0
103.04002	1.0
105.07032	14.2
107.08601	37.3
109.02908	2.0
109.06551	0.8
109.10163	48.5
111.04446	22.2
111.08080	0.7
111.11724	2.5
113.02374	3.8
113.06017	1.8
113.09632	0.7
115.03932	20.6
117.05511	2.2
117.07005	1.7
119.08588	19.0
121.10148	38.6
123.08100	1.0
123.11716	23.9
125.02322	1.0
125.09636	1.7
125.13298	0.8
127.03945	1.7
129.05490	30.7
131.08578	6.6
133.04955	4.4
133.10136	19.6
135.04460	1.0
135.11700	23.5
137.02327	1.1
137.13263	26.1
139.03891	2.2
139.11128	1.3
141.01837	27.0
143.08563	1.5
144.09377	0.7
145.10133	9.0
146.08144	1.1
147.06535	18.9
147.11699	14.0
149.13266	26.2
151.11212	0.8
151.14812	1.8
153.05453	1.0
157.04964	3.6
157.10162	1.7
159.02907	9.9
159.11705	11.5
161.13254	15.6
163.03923	0.9
163.06042	3.2
163.11156	1.0
163.14827	13.7
164.09218	3.1
165.01793	0.9
165.05499	1.0
165.07639	2.0
165.12788	1.0
169.04968	2.1
171.06516	1.8
171.11728	1.4
173.04439	0.9
173.13264	9.0
175.14830	13.9
177.03960	1.6
177.16396	24.3
179.07164	0.7
179.14336	0.8
179.17958	2.9
181.04895	0.9
183.02985	0.8
183.06631	0.7
185.13258	1.5
187.06010	0.8
187.14792	6.7
189.16405	11.5
191.17969	19.7
193.15880	1.1
193.19467	1.1
199.05957	1.5
199.14874	1.6
200.15346	0.7
201.03714	0.7
201.07516	1.0
201.16382	9.9
203.17963	18.1
205.15892	2.5
205.19534	23.6
205.21466	1.5
207.17433	3.6
213.07608	0.9
213.16353	2.2
215.17975	14.8
217.07137	3.7
217.19542	16.0
219.05020	1.7
219.13335	0.6
219.17509	5.0
219.21039	3.9
221.19002	4.8
225.07608	17.2
227.18007	2.4
229.19528	16.5
231.08713	1.1
231.21048	4.9
233.19014	11.0
235.20651	1.1
241.19528	2.4
243.08656	9.2
243.21077	2.5
245.22691	3.2
247.20610	7.0
255.05124	2.2
255.21117	3.0
257.22641	6.6
259.20618	1.3
261.09662	4.3
261.22180	1.0
269.06708	3.6
269.22678	4.1
271.24045	1.7
273.06012	4.4
273.22211	2.0
275.23746	6.5
279.10779	18.3
279.13849	0.9
283.24200	2.1
287.07556	6.2
287.23752	2.6
291.07111	2.8
297.25854	2.1
301.25256	2.1
305.08722	10.5
309.08252	2.8
313.28952	1.7
323.09796	4.6
353.32111	2.3
354.79395	0.7
401.10803	1.4
407.36716	33.9
408.36935	1.5
425.37796	100.0
426.38211	4.2
660.52081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.573
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03907	1.2
67.05505	23.0
69.03397	2.5
69.07072	16.2
69.27119	2.2
69.27523	4.2
71.04964	3.1
71.08635	19.1
73.02881	2.8
79.05498	11.6
81.03394	0.9
81.07059	68.6
83.04997	4.8
83.08162	0.9
83.08622	12.3
85.02907	8.7
85.06546	4.2
85.10187	11.1
87.04450	0.8
89.06039	0.9
91.03970	5.7
91.05487	17.3
93.06563	0.9
93.07046	9.5
95.04935	2.0
95.08610	29.3
96.08966	0.9
97.02913	4.7
97.06548	5.1
97.10173	6.9
99.04446	1.1
99.08087	4.8
99.11697	0.7
101.05988	0.8
103.07575	0.9
104.91463	0.8
105.04573	0.9
105.07033	27.1
107.08594	7.9
109.06522	3.7
109.09551	0.7
109.10146	6.7
111.08057	1.2
111.11704	1.7
113.05972	1.0
119.08589	21.0
121.09325	1.4
121.10143	18.2
123.08035	2.4
123.10822	1.4
123.11703	27.0
124.11948	0.7
127.03879	2.8
127.07518	2.4
131.08586	1.5
131.10567	0.8
133.10118	2.3
137.13266	3.3
141.09074	1.3
145.04956	2.1
147.11688	52.5
149.13225	0.7
157.10081	2.2
163.06003	2.4
165.12759	21.7
175.11174	2.1
183.13809	1.6
193.12215	1.2
229.14391	5.2
234.51726	0.7
267.15918	88.1
268.16275	1.2
285.16971	93.5
285.27695	1.5
286.17419	0.8
341.30508	89.6
342.30884	2.8
359.31708	1.7
379.24844	0.9
499.24841	0.7
551.43085	100.0
552.43445	3.6
850.81543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.6
66.28152	0.6
67.05511	45.6
69.03427	2.6
69.06721	1.2
69.07073	16.0
71.04996	3.5
73.02930	3.4
74.78224	0.7
79.05498	28.8
79.05964	1.4
81.03410	2.6
81.07062	86.7
83.05001	6.2
83.08622	9.7
85.02910	11.5
85.06545	4.8
91.03969	7.2
91.05485	28.7
93.07049	32.6
95.04966	4.1
95.08613	37.2
97.02911	5.6
97.06535	7.0
97.10179	1.8
99.04449	1.1
99.08086	3.4
101.06001	1.2
105.07039	33.7
107.08604	20.9
109.06509	4.9
109.10163	12.6
111.08078	1.8
113.06034	1.9
115.05430	0.7
115.07542	0.8
117.07043	3.7
118.10394	0.7
119.08590	27.3
121.10150	30.8
123.08092	4.4
123.11717	27.7
125.09631	0.8
127.03938	3.8
127.07570	2.6
128.06157	0.7
129.06972	1.6
131.08583	7.1
133.10123	9.1
135.07977	0.7
135.11716	10.0
136.06224	0.9
137.13281	3.0
141.09102	1.5
143.08609	0.8
145.04936	2.4
145.10133	5.3
147.11696	60.6
149.09561	1.3
149.13281	5.1
151.11182	1.3
157.10144	3.0
159.11705	3.1
161.13246	2.9
163.06020	3.1
163.14810	3.4
165.12772	22.6
171.11679	0.8
173.13297	3.2
175.11198	2.4
175.14810	1.0
177.16391	1.0
183.13840	2.3
186.18332	0.7
187.14841	1.3
193.12299	1.4
201.16483	1.1
211.13321	0.8
229.14351	7.2
233.22713	0.9
243.21092	6.6
261.22153	20.8
262.22543	0.8
265.25562	0.7
267.15924	68.7
279.23248	3.0
285.16980	100.0
286.17389	2.4
317.24771	3.9
333.24152	0.8
335.25815	85.9
336.26126	2.4
353.26907	4.1
435.32520	0.7
453.33588	1.5
471.34949	2.0
527.37390	9.3
545.38403	75.8
546.38556	2.6
563.39594	5.0
904.49200	1.4
905.49231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05169	1.2
67.05505	12.6
69.07075	7.6
71.04990	1.7
71.08638	17.6
71.56559	1.3
73.02911	1.3
79.05496	14.5
81.03427	1.4
81.07064	18.3
83.04978	1.6
83.08621	10.0
85.02910	3.2
85.10187	9.3
89.06046	0.9
91.05463	5.9
92.92519	0.7
93.06467	1.6
93.07046	25.3
95.04984	3.6
95.08611	31.7
97.02905	3.9
97.06541	2.3
97.10182	4.3
99.04457	2.5
99.11748	1.2
103.07580	1.0
105.07014	4.9
107.04953	4.8
107.08601	18.7
109.06527	1.1
109.10151	8.5
111.04473	1.3
111.11753	1.2
117.07020	5.9
119.08580	8.4
120.00954	0.8
121.06488	3.6
121.10150	9.5
123.11739	2.5
125.06006	2.1
125.35434	0.7
130.07822	1.2
130.43758	0.7
133.10153	2.3
135.08061	1.7
135.11699	34.8
137.13277	1.1
139.07587	1.8
145.10133	19.7
163.11188	47.7
173.09709	0.9
178.87721	0.7
181.12250	7.3
209.11790	1.7
227.12794	49.1
228.13141	0.9
230.41568	0.8
283.15399	86.8
284.15738	1.0
285.28006	1.7
341.30508	83.8
342.30835	2.8
514.73389	0.9
549.41510	100.0
550.41956	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	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	2.1
67.05507	40.3
67.71338	0.6
69.03442	2.6
69.07072	13.0
71.04995	4.0
73.02932	2.6
77.62708	0.5
79.05494	25.8
81.03421	1.9
81.07058	76.1
82.07368	0.5
83.04982	4.2
83.08617	8.6
85.02905	8.5
85.06546	4.1
91.03958	5.7
91.05486	21.8
93.07044	31.0
95.04976	3.5
95.08609	34.5
96.04521	0.6
96.20683	0.5
97.02908	4.5
97.06525	5.3
97.10162	1.6
99.08096	2.4
101.06023	0.8
105.07031	26.3
107.04923	0.5
107.08595	18.4
107.09296	1.2
109.06501	3.3
109.10155	10.8
111.08064	1.6
113.06010	0.9
115.05493	0.5
117.07009	3.7
117.08385	0.5
119.08584	22.0
121.10152	19.8
123.08099	4.0
123.10814	1.1
123.11711	20.6
125.09631	1.0
125.79843	0.6
127.03929	2.2
127.07597	2.0
129.07042	1.6
131.08569	6.5
133.10139	6.0
135.11705	7.5
137.09641	0.9
137.13274	1.8
139.11128	0.7
141.09094	1.0
145.04964	1.7
145.10126	4.0
147.11691	44.0
148.12004	0.8
149.09618	1.1
149.13297	4.5
156.60130	0.6
157.10135	2.2
159.11696	2.9
161.13266	2.1
163.06042	1.9
163.14847	2.4
165.12769	15.1
173.13266	2.9
175.11229	2.1
175.14792	1.0
183.13867	3.1
187.14806	1.4
193.12233	1.4
229.14412	3.7
243.21124	3.8
248.31506	0.6
261.22174	16.3
266.88977	0.7
267.15921	49.5
268.16135	1.2
279.23239	3.5
282.63776	0.6
285.16965	59.9
286.17252	0.8
299.80917	0.6
317.24731	3.2
335.25800	100.0
336.26120	2.2
353.26758	2.1
478.16998	0.6
505.19287	0.6
527.37323	5.5
545.38373	66.5
546.38745	2.8
563.39233	3.8
595.00854	0.6
904.49225	0.9
905.49835	0.8
914.41473	0.9
924.66949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.5
67.05508	34.6
69.03405	2.0
69.07070	9.6
70.13407	2.1
71.05008	2.6
71.05302	0.5
71.08603	0.7
73.02879	1.8
77.03888	0.6
79.05494	36.0
81.03391	2.1
81.07059	38.5
81.77185	0.5
83.04980	3.7
83.08620	9.2
85.02894	4.3
85.06503	1.0
91.03926	2.0
91.05480	13.9
93.07047	44.9
95.04974	7.2
95.08607	51.5
97.02879	5.5
97.06528	3.8
97.10146	1.6
97.16325	0.5
99.04448	4.5
103.05447	0.7
105.07025	12.2
107.04951	8.0
107.08597	34.1
107.29942	0.5
109.06519	2.7
109.09482	0.7
109.10162	10.7
111.04436	1.5
111.08089	1.0
113.09648	0.6
115.07540	0.7
117.07024	10.3
119.07816	0.9
119.08587	14.1
121.06511	6.6
121.10145	21.9
123.08078	1.2
123.11722	3.0
125.06009	2.9
125.09631	0.6
127.03928	0.7
129.06955	0.6
130.07762	2.0
131.08586	5.2
133.10141	6.7
135.08055	2.1
135.11694	52.7
136.06169	1.5
136.11984	1.1
137.13266	1.1
139.07497	2.1
139.11107	0.5
143.08562	1.4
145.04973	0.6
145.10130	29.3
147.11673	2.2
149.13298	2.9
153.12753	1.1
155.08459	0.8
159.11699	1.7
161.13245	2.0
163.11185	65.4
164.11475	0.9
173.09622	1.2
173.13235	1.6
175.14815	0.9
181.12227	11.8
187.14816	0.9
190.45372	0.5
191.10591	0.7
201.16394	0.8
208.44247	0.6
209.11803	1.5
227.12787	72.5
228.13153	1.5
243.21062	3.2
259.37430	0.5
261.22162	8.5
283.15399	100.0
284.15753	2.2
317.24847	2.5
335.25803	85.0
336.26215	2.6
418.71924	0.6
469.33173	0.9
543.36829	95.5
544.37360	4.0
561.37677	1.0
633.45538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	1.7
67.05507	31.2
67.05845	1.0
67.33833	0.5
69.03385	1.5
69.07067	8.6
70.06780	0.9
71.04942	2.0
73.02876	2.1
75.90635	0.4
79.05495	28.6
79.05949	0.9
81.03387	1.6
81.07059	35.8
83.04934	2.2
83.08622	7.3
85.02910	3.5
85.06522	0.8
91.03913	0.9
91.05489	12.5
93.07047	41.6
95.04971	5.2
95.08611	41.1
97.02892	3.7
97.06549	3.5
97.10122	1.5
99.04444	3.5
99.52577	0.5
103.05401	0.6
105.04443	0.6
105.06416	0.5
105.07035	9.2
107.04955	5.4
107.08596	27.2
109.06467	2.0
109.09479	0.6
109.10152	9.3
111.04391	0.9
111.08041	1.5
113.05988	0.5
113.09554	0.5
116.38725	0.5
117.07026	7.2
119.07829	0.6
119.08583	9.8
121.06536	3.9
121.10146	18.0
123.08047	0.9
123.11662	2.2
125.05946	2.0
125.09554	0.6
129.06924	0.8
130.07738	1.1
131.08563	3.4
133.10109	4.7
135.07994	1.7
135.11697	36.1
137.13181	0.8
139.07494	1.6
143.08513	1.0
145.04929	0.9
145.10127	18.9
147.11630	2.2
149.13268	2.9
149.17781	0.6
149.56993	0.5
159.11636	1.1
161.13263	1.9
163.05956	0.8
163.11192	38.1
163.14780	1.5
173.09631	0.7
173.13220	2.2
175.14706	0.7
181.12239	5.7
187.14865	1.0
209.11662	1.5
227.12788	46.3
228.12996	0.6
243.21013	2.4
261.22156	8.0
278.11774	0.5
283.15408	58.5
284.15677	1.0
317.24753	2.5
335.25803	98.8
336.26071	2.9
543.36823	100.0
544.37244	3.9
676.46429	0.6
714.79822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67195	0.8
65.03938	1.3
67.05508	36.4
69.03416	1.2
69.07069	7.4
69.47050	0.7
71.05006	0.9
71.08623	0.7
71.56426	0.7
71.56817	0.8
72.59235	0.7
73.02934	0.9
75.29807	0.7
79.05497	39.1
80.05825	0.8
81.03424	3.6
81.07058	31.5
83.04986	6.6
83.08619	4.2
85.02914	3.8
85.06512	1.4
91.03956	2.1
91.05485	28.9
93.07047	39.7
95.04972	10.0
95.08613	27.2
95.09119	0.5
95.09236	1.0
96.37060	0.7
97.02891	2.8
97.06516	2.5
97.10172	2.4
105.04549	1.3
105.07034	20.9
107.04961	2.4
107.08598	14.8
109.06512	2.6
109.10152	8.6
117.07023	4.3
119.08572	12.4
121.06497	1.3
121.10154	8.8
123.08078	2.3
123.11687	2.0
127.03911	0.9
128.06227	0.8
129.07030	6.7
131.08598	5.3
133.10124	7.1
133.47156	0.7
135.11703	4.9
137.49088	0.7
143.08565	2.4
145.05066	0.9
145.10147	7.2
147.08067	1.3
147.11688	15.4
149.13295	2.2
159.11710	2.9
161.09657	1.9
161.13272	6.0
163.14888	1.1
171.11665	8.8
173.13301	1.5
175.14859	1.4
177.12766	0.8
180.14258	0.7
187.14815	1.0
189.12766	3.6
207.13820	8.7
243.21176	1.1
261.22147	3.9
279.16037	1.9
281.17477	36.1
313.27576	1.5
317.24823	1.6
335.25812	33.4
336.26385	0.9
347.08981	0.7
467.35550	0.9
489.03995	0.8
523.39502	1.0
541.38904	100.0
542.39215	3.0
559.39636	1.7
575.72144	0.8
639.42432	1.0
782.19696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88677	1.5
65.03935	1.7
67.05507	30.7
69.03438	2.4
69.07069	15.3
71.01360	2.9
71.04996	3.2
71.08636	26.2
71.55759	1.7
72.08160	1.9
73.02917	4.5
74.09703	1.4
79.05492	21.7
81.02985	1.8
81.03422	19.7
81.07057	30.4
83.01331	2.0
83.04985	16.4
83.08622	17.6
85.02916	18.7
85.06540	2.3
85.10184	13.6
91.03947	9.5
91.05479	13.8
93.07050	24.2
94.88293	1.4
95.04973	10.9
95.08607	34.5
95.09164	2.5
97.02904	17.5
97.06525	9.0
97.10159	6.6
99.04388	2.4
105.07030	8.5
107.04959	15.8
107.08600	14.9
109.02907	2.1
109.06534	5.2
109.10153	16.4
111.04426	8.3
111.08084	4.0
111.11718	1.6
112.99986	2.0
115.58650	1.4
117.07023	9.6
119.08599	13.0
121.06535	3.7
121.10155	11.7
123.08085	4.0
123.11694	4.4
125.09670	2.4
127.03954	4.7
129.07053	1.7
131.08571	6.5
133.10120	4.2
135.08047	2.4
135.11684	19.0
145.04987	3.6
145.06541	1.5
145.10130	17.2
147.08051	5.1
149.09601	3.1
153.12756	15.6
155.08548	3.2
163.05980	3.7
163.11192	36.2
169.02689	2.4
173.09613	5.8
181.12222	9.7
189.09268	1.5
191.10672	12.4
209.11729	26.0
227.12816	17.3
239.23792	2.6
257.24759	2.7
265.14404	12.1
283.15396	56.3
299.14880	3.2
300.15350	1.9
301.16458	71.1
313.27359	91.3
314.27710	4.9
337.27325	4.7
338.27722	3.7
445.20248	2.1
463.60757	1.5
503.37247	8.9
521.38367	90.2
522.38788	2.8
539.39392	100.0
540.39325	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	894.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	0.2
67.05494	0.2
68.99786	0.2
69.03424	1.5
69.96568	0.6
70.06583	0.4
71.04995	0.4
72.08151	0.3
73.02912	0.4
73.29546	0.1
78.04707	1.0
79.05495	1.1
81.03427	2.0
81.07061	0.4
83.05003	0.1
84.08154	0.7
85.02909	3.3
85.08482	0.2
87.00832	1.1
91.05482	0.9
93.06487	0.1
93.07045	0.4
95.04970	0.8
95.08584	0.1
96.05739	0.1
97.02889	1.8
97.06473	0.2
98.21545	0.1
99.04453	0.6
103.05450	0.7
104.06223	0.1
105.01859	0.7
105.03397	0.2
105.07036	2.2
106.04164	0.7
107.04952	2.1
107.08642	0.2
108.04500	0.2
109.02869	1.7
109.06545	0.2
109.10162	0.2
111.04415	0.2
115.05438	0.8
117.01854	0.2
117.07018	1.0
118.04108	0.1
119.04959	0.2
119.08590	0.5
120.08093	0.1
120.55396	0.1
121.06519	0.6
121.10120	0.3
122.03645	0.1
123.04434	3.1
123.79862	0.1
124.05199	1.4
125.05952	0.2
127.03912	2.2
129.07002	0.3
131.04889	0.3
131.08609	0.2
133.06488	2.1
134.03671	0.2
135.04430	0.2
135.08115	0.3
137.05937	0.6
143.04922	0.2
144.05739	0.2
145.02898	0.1
145.05020	0.6
145.06494	1.4
145.10095	0.2
147.04395	0.3
147.08038	0.6
148.07538	0.1
149.05984	0.6
151.03905	0.8
151.07533	0.2
152.04668	1.2
153.05420	0.4
155.06036	0.3
155.07112	0.2
156.05705	0.3
157.06502	0.2
157.10146	0.1
159.02957	0.4
159.08061	0.4
160.05167	0.3
161.05983	2.4
163.03877	0.2
163.07565	0.5
165.07021	0.1
166.06337	0.2
167.07040	100.0
168.07367	1.4
169.06363	0.2
171.07996	0.2
173.04601	0.2
173.06000	2.6
174.06644	0.1
175.07596	0.7
177.05498	0.3
178.06265	0.3
179.07059	0.6
181.06419	0.1
181.06952	0.1
181.08598	1.7
182.37640	0.1
187.07526	0.7
189.05560	0.1
190.06232	1.5
191.07076	0.4
192.07980	0.2
193.08612	12.0
194.09003	0.2
195.08287	0.1
195.10179	0.5
198.06572	0.1
199.07526	0.2
201.05550	0.2
203.07037	0.3
204.07683	0.1
205.08594	4.1
207.06483	0.2
207.10179	0.5
209.08078	0.3
211.09654	12.6
211.30136	0.1
212.10080	0.2
213.03911	0.3
215.07057	0.1
217.08620	1.8
219.10143	0.7
221.07977	0.3
223.09616	0.5
227.06905	0.1
231.05034	0.3
231.10258	0.2
233.08005	0.3
235.09634	2.0
239.09145	0.3
241.08495	0.2
243.06473	0.2
247.09651	0.4
249.11310	0.2
251.09267	0.6
253.10588	0.4
259.09784	0.2
265.10706	1.8
269.08139	0.2
271.06018	0.1
271.09631	0.3
277.10764	0.3
279.10068	0.2
289.10800	0.2
295.11765	0.2
301.10693	1.0
307.09665	0.2
315.08621	0.4
319.11890	1.3
323.12668	0.2
325.10632	0.1
330.10803	0.7
331.11594	0.2
337.12762	0.4
351.12329	0.2
369.13644	0.2
371.14941	0.3
383.14841	1.2
401.15924	1.8
405.11765	0.3
417.15424	0.2
423.12585	0.2
441.14084	0.2
496.30228	0.1
593.23767	0.1
611.24634	0.1
768.68103	0.1
894.34888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11077	1.6
67.05497	7.8
69.03423	2.8
70.06587	5.7
70.86871	3.4
70.87215	2.3
72.08160	2.1
79.05508	4.0
81.07044	2.1
85.02901	5.1
91.05475	5.6
93.07050	7.9
94.06568	5.3
95.04971	2.4
95.08605	2.3
97.02897	6.2
97.59982	1.7
103.05486	5.3
105.07027	3.4
107.08629	2.4
108.04497	2.2
108.08108	8.1
109.02828	1.9
118.06533	1.9
119.08557	2.0
120.08120	30.0
121.10178	2.0
122.06013	15.6
122.09685	2.1
127.03847	2.3
134.06010	2.4
136.07574	14.3
137.05943	2.9
138.09163	2.8
145.04996	2.6
146.05928	1.7
147.04427	2.1
148.07579	74.5
150.09138	4.1
152.07097	3.4
160.03960	9.4
164.07094	7.7
166.08641	8.1
167.07047	1.5
172.03928	2.3
178.05025	4.2
180.23769	1.8
190.05034	1.7
204.06522	3.0
211.08670	6.4
211.12296	3.3
212.09456	2.6
213.10291	7.0
221.10698	2.2
222.11432	2.7
223.08652	7.3
223.12318	3.1
224.09294	3.1
225.10237	20.4
226.11011	9.2
227.11749	6.9
235.08609	3.2
235.12320	2.5
236.09415	2.2
237.10242	9.9
237.13847	4.0
238.10901	8.0
239.08224	9.2
239.11815	23.8
240.12476	5.0
241.09669	2.0
248.09383	2.5
249.10197	13.3
250.11002	11.6
250.29759	1.7
251.08192	6.8
251.11813	30.5
252.08624	9.9
252.12572	5.5
253.09738	11.1
253.13423	12.9
254.10576	16.9
255.11148	3.0
263.11792	22.1
264.12607	11.8
265.09766	11.6
265.13351	36.6
266.10406	4.7
266.14041	5.1
267.11237	11.6
267.14767	3.3
269.12820	2.9
271.10809	4.0
277.10071	2.5
278.10507	4.9
279.11264	14.8
281.12830	18.2
282.10342	2.0
282.13492	4.1
283.10742	6.9
283.14096	4.0
284.11563	1.9
285.12372	21.6
286.13043	2.1
291.11340	4.8
293.12833	14.9
294.13644	4.1
295.10760	4.6
296.11618	8.9
297.12305	14.7
298.13083	2.4
299.13956	18.7
309.12366	74.4
310.12958	6.4
311.13895	38.9
312.10736	1.7
313.12057	2.5
319.10715	4.7
321.12354	12.8
324.11011	2.5
325.11700	4.0
327.13403	99.6
328.13943	3.9
337.08344	2.4
337.11871	15.4
338.12720	8.9
339.13321	20.2
341.15054	5.5
342.16104	2.8
353.14941	2.4
357.14319	4.5
358.15302	3.9
359.15903	16.4
369.14462	52.4
369.19092	3.5
370.15198	5.0
371.16037	50.6
372.16718	3.4
386.18634	2.7
402.18298	2.4
404.19611	6.5
416.19635	7.1
430.17505	3.6
432.19299	13.4
442.17407	2.3
446.20425	2.2
448.18628	20.0
459.42236	1.9
460.18695	41.8
474.20209	3.0
480.21304	57.3
481.21268	2.8
492.21301	100.0
493.21838	3.0
506.22513	2.3
533.21881	2.2
534.22186	5.4
560.20135	8.8
576.19617	2.2
577.23608	2.6
578.21393	53.5
579.21686	3.3
592.22534	2.9
595.25507	8.1
609.23108	7.8
610.24048	9.3
615.51044	1.9
627.27686	11.1
636.26221	2.0
655.27496	7.5
672.97797	2.0
681.25677	8.1
699.15698	1.9
699.26752	33.7
731.29205	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	891.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	13.6
69.03427	2.2
69.07067	15.4
69.75761	4.0
69.76171	7.3
70.06601	10.7
71.01362	20.9
71.05000	61.4
72.08162	3.0
73.02950	4.0
73.47810	1.9
75.04475	7.0
79.05502	9.9
81.07066	34.2
83.04975	5.0
83.08644	9.3
85.02911	100.0
86.09656	1.7
87.04469	2.5
91.05503	10.4
93.07050	21.0
95.01341	6.0
95.04942	3.6
95.08614	60.7
97.10162	5.0
98.20763	2.1
99.04455	3.2
101.02381	35.9
105.07033	23.9
106.75900	1.9
107.08608	44.0
109.10159	54.1
110.85843	1.7
111.04438	3.3
111.11752	2.1
113.02401	2.4
117.07039	3.0
119.08593	40.8
119.37122	2.1
121.10149	34.4
123.08104	2.0
123.11723	20.8
127.03938	24.6
129.05496	30.0
131.08568	6.9
133.10152	28.9
135.11716	27.5
137.13274	5.1
141.01793	9.6
145.04971	86.5
145.10133	11.5
147.06511	9.3
147.11702	29.7
149.13272	15.7
151.14885	2.2
158.10915	2.0
159.02835	3.5
159.11684	12.7
161.13255	26.1
163.14841	15.9
171.11703	3.3
173.13261	6.7
175.14847	17.6
177.16399	26.1
179.18016	3.8
182.42316	1.8
185.33006	2.1
187.14803	9.8
189.16393	44.5
191.16223	2.4
191.17953	44.4
191.19592	3.0
201.16389	17.2
203.17976	26.4
205.19528	8.4
207.17459	4.5
213.16418	2.8
215.17996	13.7
217.19539	32.6
219.21107	4.5
227.17952	3.7
229.19588	12.5
231.21074	6.5
241.19527	3.3
243.21233	4.7
245.22659	8.0
255.21097	3.5
257.22650	4.9
269.22543	4.1
271.24252	7.2
285.25772	3.3
291.10828	2.1
297.25662	6.5
305.08627	1.9
337.28931	3.2
383.20575	7.2
407.36740	85.6
408.37173	4.7
424.96136	1.8
425.37784	13.6
601.41071	12.0
891.46613	5.9
904.50787	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	886.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02361	0.3
65.03925	0.5
66.63034	0.2
67.05505	1.3
68.99783	0.9
69.03435	7.8
69.07072	4.0
70.06586	0.7
71.01321	0.2
71.05003	1.2
72.08139	0.4
73.02919	1.5
79.05503	1.6
81.03424	9.2
81.07080	1.1
82.04202	0.3
83.01351	0.3
83.04977	0.3
84.08144	0.5
85.02912	14.9
87.00835	7.3
91.03956	0.5
91.05479	1.3
93.07060	1.3
95.04962	1.0
95.08613	0.5
97.02901	7.6
97.06517	0.4
97.10151	0.3
99.04463	3.0
103.05457	1.2
105.01881	4.6
105.03377	0.4
105.07045	0.6
107.04968	0.7
107.08578	0.5
108.04477	0.6
108.10788	0.2
109.02891	9.1
109.10165	0.8
110.03667	0.6
111.04453	0.6
115.03950	0.5
117.01862	0.9
117.07047	0.3
119.04991	1.2
119.08571	0.6
121.06519	0.7
121.10155	0.5
123.04453	0.7
125.06030	1.1
126.05456	0.3
127.03928	12.0
128.06277	0.2
129.01849	1.0
129.05493	0.2
131.04929	1.3
131.08578	0.4
133.02924	0.4
133.10109	0.4
135.04387	0.5
135.11691	0.3
137.05981	0.4
138.03130	4.4
139.02919	0.4
139.03920	5.4
143.08533	0.3
143.44334	0.2
145.04965	3.3
145.06479	0.5
145.13660	0.2
147.02959	0.6
147.04427	4.5
147.11710	0.5
149.05994	1.4
149.13206	0.2
151.03908	2.0
153.05476	100.0
154.05811	1.3
159.02905	3.4
159.04285	0.4
159.08064	0.3
159.11691	0.2
161.06020	0.6
163.03903	4.8
165.04156	0.4
165.05479	4.4
166.06316	0.2
167.07057	0.9
169.04965	1.1
173.05988	0.5
176.04752	0.4
177.05482	11.3
179.07050	7.3
181.04938	1.4
183.02881	0.3
185.05922	0.4
187.05971	0.3
187.07567	0.6
189.03909	0.6
189.05487	0.7
189.09099	1.2
191.07031	0.6
193.04948	0.8
195.06618	0.4
197.05898	0.2
201.05443	0.5
203.06996	0.5
205.04971	3.1
205.08632	1.0
207.10179	28.3
208.10503	0.3
213.03842	1.2
213.05728	0.2
217.04947	0.5
217.08646	0.2
219.06538	0.6
219.10184	0.7
221.08186	0.4
223.45308	0.2
227.07091	0.3
229.05081	0.5
230.06766	0.2
231.04845	2.6
231.07074	0.3
231.10217	0.5
233.11829	0.4
235.05991	0.4
239.07094	0.3
243.06641	0.4
247.06082	1.5
248.07809	0.4
249.06076	0.6
255.06514	0.4
257.08084	0.4
261.07596	0.3
267.06528	0.4
267.15988	0.5
271.09616	0.3
273.06192	0.9
275.09219	0.5
285.07565	0.5
289.10593	0.5
299.09192	0.6
303.08627	0.8
305.10196	1.6
317.10220	40.4
318.10623	0.9
325.27301	0.2
329.10178	3.1
331.11862	0.4
341.10162	0.8
347.11334	0.9
351.06992	0.3
359.11371	1.6
371.11197	3.8
371.15137	0.9
373.16504	6.2
383.11032	0.4
385.16614	0.6
395.11026	0.5
397.16428	0.9
413.12317	2.2
415.17444	0.5
421.05841	0.3
422.05887	0.5
425.12265	0.9
439.17664	0.4
463.17645	0.4
477.28375	0.5
517.13208	0.9
518.11438	0.7
529.13525	1.4
547.14447	0.4
565.15540	6.6
567.18481	0.4
577.13000	0.4
578.13525	0.7
585.19397	0.2
607.16602	0.2
626.90265	0.2
679.11749	0.2
887.61169	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66320	0.5
64.13128	0.5
65.03937	1.2
67.05503	28.4
67.76620	0.6
69.03436	1.8
69.07072	16.4
70.73440	0.6
70.73759	1.0
71.04985	2.7
71.08633	22.6
73.02927	3.2
74.09721	0.8
79.05065	0.7
79.05496	10.9
81.03418	2.1
81.07057	74.0
83.04990	5.3
83.08622	14.3
85.02905	12.6
85.06534	3.6
85.10185	13.6
87.04465	1.1
89.06052	1.1
91.03961	7.8
91.05479	17.3
93.07047	10.0
95.04980	1.5
95.08607	28.9
97.02905	7.2
97.06544	4.8
97.10172	5.0
99.04457	1.4
99.08097	4.1
101.06021	1.3
103.07585	1.0
105.07034	30.0
107.08590	10.0
109.06515	3.9
109.10155	8.9
111.08090	1.2
111.11736	1.1
113.03877	0.6
113.06010	0.9
115.07568	1.0
119.07705	0.5
119.08581	22.3
121.10146	16.3
123.08063	3.6
123.11710	29.5
125.09625	0.8
127.03918	3.1
127.07587	2.9
129.07033	1.5
131.08540	0.9
133.10121	2.4
135.11705	0.6
137.09508	0.7
137.13225	3.0
141.09137	0.7
145.04936	3.5
145.10057	0.8
147.11690	63.9
157.10158	2.6
163.05978	2.8
165.12758	25.6
175.11244	1.7
183.13826	2.2
185.49104	0.5
193.12216	1.8
229.14238	3.3
239.23619	3.0
257.24728	2.2
265.29510	0.6
267.15924	88.4
268.16214	2.1
281.69562	0.6
285.16968	95.8
286.13589	0.6
286.17346	1.3
313.27365	97.1
314.28006	2.8
314.30978	0.6
331.28372	2.0
523.39948	100.0
524.40405	4.4
666.87927	0.7
735.23810	0.6
749.42914	0.7
751.07715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	3.5
65.03912	0.7
67.05506	14.1
69.03381	1.6
69.07066	9.0
71.04963	1.4
71.08631	17.5
71.56081	0.5
73.02902	1.2
74.22148	0.5
79.05495	14.1
81.03385	1.6
81.07059	20.8
82.57898	0.5
82.87045	0.5
83.04950	2.2
83.08620	11.5
85.02911	3.7
85.06519	0.8
85.10179	11.4
87.04457	0.8
89.06025	4.0
91.03919	1.9
91.05478	4.9
93.07044	23.8
95.04967	4.4
95.08608	36.0
97.02891	4.4
97.06503	2.5
97.10179	3.8
99.04446	3.3
103.07547	1.3
104.43316	0.5
105.07036	4.6
107.04420	0.5
107.04962	5.4
107.08598	18.0
109.06481	1.8
109.10176	7.1
111.04411	1.1
111.08073	0.9
111.11704	0.8
113.09725	0.6
115.05293	0.6
117.07016	5.6
119.08597	8.0
121.06536	3.6
121.10130	9.0
123.11678	2.0
125.05978	2.7
125.09652	0.6
127.03929	1.1
130.07771	1.2
133.08585	1.2
133.10103	2.0
135.08032	2.1
135.11694	37.2
137.13237	1.4
139.07507	1.8
145.04944	0.6
145.06372	0.6
145.10126	21.4
153.12744	0.7
155.88588	0.6
163.11188	52.5
181.12239	9.1
190.26439	0.5
203.85368	0.6
209.11732	1.1
227.12779	54.2
228.13098	0.6
239.23753	1.1
257.24762	2.0
283.15399	88.6
284.15768	2.1
313.27365	87.2
314.27649	2.3
521.38385	100.0
522.38708	4.5
531.48224	0.6
670.43372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92410	1.1
67.05508	15.6
69.07075	5.3
70.06586	1.5
70.95851	5.4
71.08632	9.3
71.13147	1.2
71.13479	2.0
71.92997	1.5
72.08183	1.2
72.93793	18.0
74.95359	1.3
79.05494	7.8
81.03407	4.3
81.07060	18.3
83.08618	4.8
83.72121	1.0
85.10173	5.4
86.09698	1.4
88.96875	3.2
89.94038	1.2
90.94819	14.1
91.05457	6.3
93.07043	8.5
95.04999	1.4
95.08607	14.0
97.10154	2.9
100.96951	1.3
102.94824	2.1
104.96416	1.7
105.07038	3.5
107.08583	3.5
108.95855	2.7
109.10154	5.8
113.96430	2.6
114.76719	1.0
116.96364	4.4
117.07063	1.4
119.08620	2.7
120.95799	1.4
121.10158	3.0
123.11773	1.2
126.98444	4.2
128.96339	5.3
130.97899	3.6
131.08543	2.1
132.95824	19.6
133.10109	1.6
134.97411	3.8
135.11702	2.0
140.96321	2.2
144.95834	8.7
144.99472	3.6
146.97391	9.5
148.98972	2.5
150.96899	10.5
150.98024	1.5
151.97618	1.7
154.97949	1.4
155.97421	1.5
156.95839	3.7
158.97418	12.7
162.96893	7.4
164.98468	39.9
164.99818	1.6
168.95847	1.9
170.97394	7.8
172.95285	2.7
172.98981	3.3
174.96870	3.7
176.18535	1.2
176.98471	7.3
178.97945	2.4
182.97400	5.2
183.98157	1.3
184.98994	5.2
186.96881	1.3
188.00066	3.2
188.98466	7.9
189.03725	1.9
190.96420	2.0
190.99936	1.8
192.97966	2.7
196.91945	1.8
196.98987	1.4
198.96889	41.7
200.98399	7.0
203.00009	3.6
206.99513	10.0
208.98941	1.3
214.93044	7.0
215.00008	1.2
215.05145	1.4
216.97913	13.3
218.99493	4.9
223.04497	1.4
224.98402	2.1
227.05276	2.8
229.06836	1.4
230.99481	8.3
233.01048	10.9
237.05661	1.7
239.05229	1.4
239.99521	3.1
241.05058	1.7
242.99611	1.9
244.91982	1.6
245.01166	1.4
252.94669	2.6
253.07063	1.5
254.99478	1.5
255.06596	1.9
257.24908	1.6
262.93069	25.8
270.95670	6.4
273.00516	3.7
275.02130	1.3
275.07391	2.2
278.09650	1.8
279.08325	2.2
280.94171	12.0
281.09879	3.8
283.11676	2.1
285.94608	2.9
294.95761	1.6
298.95187	24.0
307.13440	1.8
309.15109	3.6
311.16788	1.2
312.96774	4.4
313.27368	53.0
317.17703	1.3
321.96814	4.0
327.16058	2.3
327.24017	1.2
329.11801	6.3
329.17709	8.2
331.13422	10.6
332.15659	1.4
333.15094	100.0
334.15491	2.1
335.22000	2.3
335.25809	35.3
336.96768	7.7
347.18832	4.4
351.16333	1.5
354.97745	15.8
372.98871	34.7
374.17694	3.3
385.20288	4.1
407.18762	14.7
414.01385	3.4
449.19821	1.8
501.15799	1.4
517.22412	1.3
519.16943	2.4
537.18195	2.8
573.48529	3.8
575.20239	2.2
593.20685	10.4
611.21838	52.6
612.22345	1.6
615.19220	34.1
616.19177	1.4
633.20264	54.9
634.21118	1.4
645.41473	2.3
652.24323	7.2
829.63098	1.4
871.43329	6.5
889.44690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.8
67.05507	10.9
68.05035	1.3
69.03442	6.6
69.05817	0.7
69.07065	4.1
70.02963	0.6
70.06595	7.9
71.04996	100.0
71.08639	5.2
71.56519	1.1
73.02965	0.7
79.05497	11.0
81.03425	2.6
81.07066	10.3
82.06582	0.9
83.04984	1.7
83.08622	5.9
84.04502	0.8
84.08149	5.6
85.02922	1.4
85.06554	0.7
85.10172	3.5
86.06056	3.5
88.03994	3.7
91.05490	4.8
93.07050	3.9
94.06631	0.8
95.04980	1.4
95.08619	6.1
96.08144	10.5
97.02914	1.3
97.06519	1.1
97.10168	5.9
98.06055	4.1
99.04437	0.9
100.07639	0.8
105.07047	1.9
105.35934	0.5
106.06561	1.3
107.05002	1.4
107.08591	4.5
109.02925	1.6
109.06517	0.9
109.10176	2.7
110.03707	0.9
111.04472	1.1
111.08092	1.5
112.07605	5.8
114.05544	1.1
116.07131	0.8
117.07035	1.3
119.08591	1.3
121.10136	0.9
122.06007	0.8
123.08125	1.0
123.11645	0.8
124.07572	3.3
125.09629	3.6
127.03949	0.9
129.07047	0.8
131.08594	1.0
133.06551	0.8
133.10167	1.2
135.08089	2.7
140.07048	0.7
141.07892	0.7
142.08624	3.6
145.10165	1.1
147.11751	0.8
149.09680	0.9
153.09145	1.8
158.08167	5.9
163.11203	0.7
189.11310	1.6
227.12840	2.6
248.16528	0.7
312.18048	26.8
313.18521	1.1
313.27457	4.6
330.19330	2.7
333.24512	1.1
339.74509	0.6
349.23215	0.7
404.22971	2.2
539.30127	0.7
612.23431	2.0
625.45282	0.8
630.24353	1.9
642.45770	97.2
643.46234	4.8
719.40356	0.7
768.59491	0.7
868.47211	33.4
869.46692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	0.3
61.70561	0.1
65.03924	0.1
66.04732	0.1
67.05502	0.2
68.99770	0.2
69.03085	0.1
69.03435	1.9
70.06576	0.4
71.04994	0.6
71.55322	0.2
73.02896	0.3
78.04720	1.2
79.05492	1.1
81.03419	2.2
81.07040	0.5
83.01354	0.2
83.04987	0.2
85.02905	3.9
86.09728	0.2
87.00838	1.5
89.63415	0.1
91.03977	0.1
91.05495	0.8
93.03353	0.1
93.07043	0.5
95.04964	0.8
95.08609	0.3
96.05781	0.2
97.02892	2.3
97.06529	0.1
99.04438	0.7
103.03973	0.1
103.05473	0.6
105.01883	0.9
105.03362	0.2
105.04549	0.1
105.07034	2.4
106.04182	0.6
107.04961	1.8
109.02883	1.8
109.06507	0.3
111.04414	0.4
115.03936	0.1
115.05450	1.0
117.01891	0.2
117.07008	0.6
118.04148	0.1
119.04929	0.3
119.08553	0.5
121.06552	0.7
121.10117	0.2
122.03663	0.4
123.04438	3.6
124.05238	1.5
125.05981	0.2
127.03921	2.3
129.01804	0.1
129.07030	0.3
131.04913	0.4
131.08539	0.3
132.05684	0.2
133.06487	2.2
133.10136	0.2
134.03612	0.4
135.04431	0.3
135.08049	0.3
137.02303	0.1
137.05981	2.7
140.04562	0.2
141.06990	0.2
143.71776	0.1
145.04973	0.5
145.06487	1.2
147.04395	0.5
147.08058	0.4
149.06013	0.9
149.07057	0.2
151.03900	0.9
151.07481	0.2
152.04669	1.2
153.05426	0.3
155.05981	0.2
157.06541	0.2
159.02917	0.8
159.08087	0.3
160.05215	0.3
161.06006	2.4
163.03957	0.3
163.07590	0.6
165.05533	0.2
166.06247	0.2
167.07047	100.0
168.07388	1.4
169.06450	0.1
171.08057	0.2
172.05193	0.2
173.05994	1.4
175.07535	1.7
177.05492	0.3
178.06285	0.3
179.07002	0.6
181.05092	0.2
181.06987	0.2
181.08604	2.1
185.09619	0.1
187.07526	0.7
189.05527	0.2
189.09071	0.2
190.06291	0.6
191.07027	0.3
191.10925	0.1
192.07831	0.3
193.08614	12.7
194.08905	0.3
195.10204	0.4
197.05956	0.1
199.07632	0.2
202.06265	0.2
203.07042	0.4
205.08627	2.0
207.06497	0.2
207.10167	0.7
209.08060	0.4
211.09660	13.2
212.09962	0.3
214.38782	0.1
215.06966	0.3
217.08588	1.2
219.10120	0.3
221.08206	0.4
223.09505	0.7
231.05032	0.5
231.10333	0.1
233.08049	0.2
235.09671	1.7
239.06915	0.2
239.09102	0.3
241.08691	0.3
247.09692	0.3
249.11177	0.2
251.09140	0.6
253.10637	0.6
259.09711	0.3
261.09128	0.2
265.10684	0.4
271.09686	0.2
273.11206	0.3
275.08945	0.1
277.10724	0.2
286.08182	0.1
293.11792	0.1
295.11737	0.2
300.09857	0.2
301.10828	1.2
309.11417	0.2
319.11731	1.6
321.11334	0.2
337.12854	0.4
341.13943	0.3
353.14005	0.6
371.14871	1.4
387.14563	0.2
405.11841	0.4
423.12646	0.3
581.23370	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	859.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02390	0.8
69.03421	1.7
70.06612	0.3
70.81307	0.2
71.04993	0.6
71.55484	0.3
72.08172	0.7
72.87376	0.3
73.02916	0.6
79.05495	0.6
81.03421	2.5
83.04958	0.3
85.02915	2.5
87.04420	0.3
89.03920	7.2
95.04946	0.3
97.02885	2.4
99.04460	2.4
103.03956	0.7
105.01871	0.3
107.04969	2.0
109.02885	6.1
117.03383	7.5
125.02329	0.3
127.03921	95.9
128.04236	1.0
135.04420	16.0
136.04749	0.4
145.02853	12.7
145.04964	1.2
161.05978	0.3
163.03908	100.0
164.04259	1.6
177.05478	0.5
181.04968	0.6
186.98531	0.3
187.06058	1.4
205.06935	0.4
211.04109	0.3
213.03949	0.3
231.05006	0.5
243.06552	0.3
253.04910	0.6
253.07150	0.5
259.04578	1.4
271.05658	1.5
271.08209	0.9
277.05524	0.3
289.06812	0.5
295.04483	2.9
303.04941	1.5
317.06674	0.6
331.08023	0.3
367.06241	0.3
403.08640	0.4
421.05515	1.8
431.91986	0.3
565.12122	0.4
570.95984	0.3
583.11780	0.3
601.13397	1.0
663.76996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	3.6
65.03935	2.5
67.05510	100.0
69.03423	3.0
69.07072	16.2
69.29037	4.2
69.29436	12.6
71.01374	2.6
71.04987	4.5
73.02943	3.6
73.05929	1.9
79.05073	3.0
79.05501	42.4
81.03418	6.5
81.06582	3.1
81.07068	59.7
83.04964	5.7
83.08632	13.4
85.02914	9.5
85.06533	2.6
87.04470	3.5
91.05487	27.5
93.06483	2.4
93.07051	37.4
95.04979	5.4
95.08614	40.6
97.02915	2.8
97.06525	4.6
97.10164	13.7
99.08089	2.1
105.07052	12.3
107.04956	5.1
107.08601	21.3
109.06527	4.4
109.10168	57.3
111.08072	4.3
117.07018	7.1
119.08601	13.2
121.10158	15.3
123.08068	3.0
123.11699	5.1
125.09647	14.7
129.07066	1.8
131.08580	10.1
133.10110	7.2
135.11722	12.2
137.09599	4.9
145.10159	10.1
147.11719	5.8
149.13234	5.3
153.12756	4.2
155.08588	2.4
155.10649	4.0
159.11693	4.3
161.13246	3.3
163.11208	9.0
173.11734	13.3
173.13097	3.3
175.14810	2.5
181.12254	2.8
199.13293	6.0
209.11780	5.3
215.78426	1.9
217.14279	2.1
227.12790	5.6
229.14377	42.0
243.21179	2.6
257.43329	2.2
259.76422	2.3
261.22144	14.5
301.16476	13.1
335.25827	69.2
336.26263	2.3
401.25247	9.3
477.35687	7.4
489.35660	14.9
561.37463	5.2
579.39557	2.4
661.46667	12.8
857.29187	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	854.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	8.0
63.10183	0.4
65.03927	1.1
67.05505	55.3
69.03424	1.9
69.07072	4.8
70.81250	1.0
71.05000	2.6
71.08635	14.4
73.02918	3.1
73.42884	0.4
75.04449	0.4
79.05483	1.2
80.42437	0.4
81.03413	0.7
81.07057	14.3
82.16801	0.5
83.04959	0.4
83.08618	7.3
84.32936	0.4
85.02906	9.5
85.06550	1.8
85.10184	8.0
89.06007	0.5
91.03956	5.7
91.05483	3.8
93.07065	2.9
95.08610	12.7
97.02897	5.2
97.10161	3.6
99.04463	0.5
99.08076	0.7
99.11752	0.4
103.07588	0.6
107.08610	1.2
109.02900	0.6
109.10158	60.2
110.10456	0.8
111.08116	2.1
111.11710	1.5
119.08578	3.8
123.11721	2.3
127.03918	1.9
127.11253	0.5
135.11679	0.6
137.09612	2.9
137.13243	0.7
145.04984	2.8
154.55704	0.4
155.09557	0.6
155.10692	4.4
163.06032	3.5
173.11736	18.3
180.08617	0.5
229.14352	100.0
230.14717	1.6
267.26785	0.6
285.27927	1.3
300.13791	0.5
329.19971	0.5
341.30505	74.3
342.30865	2.0
495.40454	66.7
496.40753	2.3
608.29608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	3.5
65.03975	3.1
67.05507	100.0
69.03429	2.7
69.07069	15.0
71.04971	2.6
71.23219	3.2
73.02892	3.0
79.05497	36.1
81.03414	9.1
81.06583	2.9
81.07058	55.8
83.04969	6.3
83.08627	17.1
85.02900	11.5
85.06586	1.6
87.04455	5.1
91.05487	22.5
93.07047	38.1
95.04972	5.6
95.08612	41.6
97.02883	4.7
97.06541	4.3
97.10175	16.1
105.07059	13.1
107.04995	2.4
107.08591	25.2
109.06504	2.4
109.10159	58.1
110.10499	2.2
111.04433	1.9
111.08073	5.2
117.07006	8.0
119.08559	12.3
121.10146	15.3
123.08065	2.9
123.11694	6.2
125.09627	14.5
129.05440	2.4
129.06912	3.0
131.08591	9.3
133.10110	10.6
135.08063	2.1
135.11714	13.5
137.09608	3.4
145.10126	8.4
147.11687	5.6
149.13268	3.3
151.11165	1.8
153.12761	4.3
155.10724	4.6
159.11705	6.7
163.11171	6.0
163.14848	2.7
173.11732	15.5
173.13248	5.1
175.14748	1.9
187.14792	1.8
191.10651	3.0
199.13342	5.4
206.68889	1.5
209.11754	4.4
209.93387	1.6
211.13231	2.5
227.12787	6.9
229.14349	44.8
230.14664	2.7
243.21065	3.6
261.22134	12.2
267.15918	3.7
301.16318	12.3
317.24756	1.9
323.49863	1.8
335.25815	72.5
399.23688	13.7
477.35449	4.6
489.35751	16.6
496.40463	1.7
497.41336	2.2
561.37866	4.9
644.02008	1.8
659.45276	13.2
741.53040	2.0
794.85645	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	854.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.8
65.03938	3.4
67.05508	48.7
69.03429	10.5
69.07071	36.4
70.06589	2.6
70.17961	5.7
71.04971	4.2
73.02897	1.2
79.05496	42.0
81.03421	10.4
81.07059	45.3
83.04984	7.4
83.08628	10.7
85.02894	2.1
85.06536	2.1
91.05486	35.9
93.07051	35.7
95.04966	11.8
95.08611	20.8
96.08131	5.3
97.02909	8.4
97.06539	11.8
97.08455	2.1
97.10170	14.3
103.05434	1.9
105.07034	28.9
107.02171	1.6
107.04947	10.6
107.08595	29.6
109.02882	2.2
109.06509	5.7
109.10158	15.5
111.04430	1.3
111.08086	5.0
115.05453	2.0
115.73683	1.2
116.06281	1.8
116.07095	2.9
117.07034	16.5
119.08579	21.7
121.06487	4.4
121.10154	11.5
123.08075	4.2
123.11721	2.7
125.09615	12.9
127.03896	3.1
128.06200	1.9
129.07027	7.5
131.08574	14.8
133.06528	3.1
133.10139	15.5
135.08031	6.4
135.11679	7.6
136.06218	1.5
137.09679	2.9
140.24503	1.4
143.08537	5.2
145.06448	2.4
145.10136	13.3
147.08049	5.0
147.11682	8.3
149.09648	9.8
149.13214	5.4
151.11136	4.3
155.08604	2.1
157.10126	5.4
159.08128	1.3
159.11740	9.0
161.09628	3.9
161.13322	3.7
162.07716	1.9
162.10272	1.4
163.11183	6.4
165.09155	2.4
165.12718	1.8
169.10190	2.8
169.12280	1.4
171.10214	2.0
171.11659	4.3
173.13249	3.8
175.11240	3.1
177.12782	3.2
178.07907	1.2
179.14282	2.8
181.09984	1.3
183.11676	2.1
185.13242	2.9
189.11246	8.6
189.12801	2.0
195.13841	2.4
197.13176	2.9
205.12230	1.9
223.13315	16.4
227.12761	17.7
239.17937	1.6
245.18982	1.8
249.14772	2.6
253.14424	4.4
255.16040	3.6
257.19003	7.5
263.20007	1.7
267.16058	1.8
269.17487	13.0
273.18503	15.4
275.20059	22.6
284.74130	1.4
289.17856	2.0
291.19547	100.0
292.19736	2.2
293.21024	2.1
309.20483	1.8
312.35275	1.2
313.20776	1.2
331.22565	2.2
347.21841	2.1
349.19772	1.9
349.23746	24.8
365.23257	37.8
366.23691	1.5
367.24942	1.4
541.34937	2.6
543.36859	2.9
545.34833	9.6
559.36292	28.6
560.36493	1.4
599.39508	2.0
621.40955	2.3
628.46387	2.2
639.42639	29.9
640.42761	1.7
657.43353	2.7
854.46222	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	854.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.8
65.03938	3.4
67.05508	48.7
69.03429	10.5
69.07071	36.4
70.06589	2.6
70.17961	5.7
71.04971	4.2
73.02897	1.2
79.05496	42.0
81.03421	10.4
81.07059	45.3
83.04984	7.4
83.08628	10.7
85.02894	2.1
85.06536	2.1
91.05486	35.9
93.07051	35.7
95.04966	11.8
95.08611	20.8
96.08131	5.3
97.02909	8.4
97.06539	11.8
97.08455	2.1
97.10170	14.3
103.05434	1.9
105.07034	28.9
107.02171	1.6
107.04947	10.6
107.08595	29.6
109.02882	2.2
109.06509	5.7
109.10158	15.5
111.04430	1.3
111.08086	5.0
115.05453	2.0
115.73683	1.2
116.06281	1.8
116.07095	2.9
117.07034	16.5
119.08579	21.7
121.06487	4.4
121.10154	11.5
123.08075	4.2
123.11721	2.7
125.09615	12.9
127.03896	3.1
128.06200	1.9
129.07027	7.5
131.08574	14.8
133.06528	3.1
133.10139	15.5
135.08031	6.4
135.11679	7.6
136.06218	1.5
137.09679	2.9
140.24503	1.4
143.08537	5.2
145.06448	2.4
145.10136	13.3
147.08049	5.0
147.11682	8.3
149.09648	9.8
149.13214	5.4
151.11136	4.3
155.08604	2.1
157.10126	5.4
159.08128	1.3
159.11740	9.0
161.09628	3.9
161.13322	3.7
162.07716	1.9
162.10272	1.4
163.11183	6.4
165.09155	2.4
165.12718	1.8
169.10190	2.8
169.12280	1.4
171.10214	2.0
171.11659	4.3
173.13249	3.8
175.11240	3.1
177.12782	3.2
178.07907	1.2
179.14282	2.8
181.09984	1.3
183.11676	2.1
185.13242	2.9
189.11246	8.6
189.12801	2.0
195.13841	2.4
197.13176	2.9
205.12230	1.9
223.13315	16.4
227.12761	17.7
239.17937	1.6
245.18982	1.8
249.14772	2.6
253.14424	4.4
255.16040	3.6
257.19003	7.5
263.20007	1.7
267.16058	1.8
269.17487	13.0
273.18503	15.4
275.20059	22.6
284.74130	1.4
289.17856	2.0
291.19547	100.0
292.19736	2.2
293.21024	2.1
309.20483	1.8
312.35275	1.2
313.20776	1.2
331.22565	2.2
347.21841	2.1
349.19772	1.9
349.23746	24.8
365.23257	37.8
366.23691	1.5
367.24942	1.4
541.34937	2.6
543.36859	2.9
545.34833	9.6
559.36292	28.6
560.36493	1.4
599.39508	2.0
621.40955	2.3
628.46387	2.2
639.42639	29.9
640.42761	1.7
657.43353	2.7
854.46222	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	852.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	8.5
62.64265	0.7
63.14418	0.7
64.15942	0.9
65.03943	1.5
66.24380	0.9
67.05510	62.5
68.05847	0.9
69.03437	2.3
69.07072	16.7
70.06609	1.0
71.04992	2.8
71.08630	3.4
73.02922	2.9
79.05488	5.4
81.03441	1.2
81.07063	19.6
83.08630	14.1
85.02911	8.5
85.06541	1.7
85.10203	1.3
91.03963	7.2
91.05507	4.3
93.07059	7.4
95.08613	14.5
97.02888	5.5
97.06535	1.2
97.10169	7.1
101.06002	0.9
105.07038	2.2
107.04961	0.9
107.08607	5.2
109.02871	0.9
109.10165	59.9
110.10498	0.9
111.08109	4.0
111.11724	1.7
118.59371	0.7
119.08574	4.1
121.10149	6.7
123.11737	1.4
127.03917	2.8
127.96629	0.8
133.10168	1.0
135.11723	4.1
137.09604	2.7
141.61536	0.7
145.04962	2.9
149.13263	1.4
155.10699	3.8
163.06039	3.3
163.14842	1.1
173.11757	16.3
179.14288	0.9
198.44299	0.8
229.14368	100.0
230.14688	2.9
265.25372	1.5
339.28958	69.3
340.29343	2.5
405.38730	0.8
462.16321	0.9
493.38916	65.0
494.39346	2.8
527.42029	0.8
609.44653	1.6
636.96484	0.8
654.29041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	2.5
61.02931	8.3
65.03951	1.9
65.30389	0.6
65.94766	0.5
67.05507	73.4
68.05830	0.7
69.03433	1.9
69.07071	11.0
70.01543	2.4
70.06592	0.5
71.04994	2.4
71.08640	1.1
72.74700	0.6
73.02931	2.4
78.70501	0.5
79.05504	7.0
81.03419	0.9
81.07060	32.0
83.04990	0.5
83.08620	9.5
85.02905	10.8
85.06552	1.6
85.10164	0.5
91.03963	6.5
91.05477	5.9
93.07037	8.7
95.04981	1.0
95.08612	20.5
97.02908	5.3
97.06536	1.4
97.10167	3.8
99.04466	0.8
99.08098	0.9
105.07043	3.5
107.08599	4.9
109.06577	0.7
109.10160	57.5
111.08072	2.5
111.11732	0.9
115.03979	0.5
117.07076	0.6
119.08581	6.2
121.10148	3.6
123.11714	3.5
125.09592	1.1
127.03893	2.9
131.08623	0.9
133.10139	2.0
135.11731	1.7
137.09636	2.6
137.13261	1.4
145.04971	3.0
147.11748	2.1
149.13268	1.8
155.10654	2.7
161.13307	1.7
161.55341	0.6
163.06049	3.1
163.14818	1.3
173.11748	16.3
175.14816	0.9
177.16600	0.6
189.11205	0.6
189.16527	0.6
213.14870	0.6
227.12810	2.8
229.14362	100.0
230.14691	1.8
245.22635	2.3
247.67485	0.6
263.23703	4.0
337.27371	58.5
338.27817	2.2
363.05264	0.6
473.36108	1.2
480.42737	0.7
491.37320	50.4
492.37436	2.4
509.37967	2.3
527.00732	0.6
537.81329	0.7
624.48755	0.7
785.12488	0.6
820.75958	0.7
850.52649	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.4
61.02927	9.0
65.03949	1.9
67.05506	89.9
69.03441	2.2
69.07069	13.3
71.04996	3.2
71.08639	1.7
71.56673	1.2
73.02926	2.5
77.77017	1.1
79.05492	10.6
81.03421	2.2
81.06580	2.0
81.07060	38.9
83.08627	11.2
85.02910	9.1
85.06544	2.3
85.10178	1.9
91.03977	6.7
91.05484	7.4
93.07047	11.9
95.04913	1.5
95.08613	27.6
95.44548	0.9
97.02906	6.4
97.06525	2.9
97.10150	4.6
105.07037	4.8
107.08568	4.9
109.10160	75.9
111.08096	4.0
119.08579	9.5
121.10166	4.5
121.16751	0.9
123.11721	3.6
127.03899	1.7
133.10141	3.9
135.11676	2.5
137.09627	3.5
137.13264	2.1
145.04967	3.2
147.11699	1.4
149.13254	1.5
155.10687	3.8
161.13228	1.9
163.06029	4.1
163.14864	1.7
173.11739	18.6
175.14857	2.6
214.80942	1.1
229.14369	93.7
230.14685	2.0
245.22720	1.9
263.23715	5.0
265.59351	1.2
301.68890	1.0
337.27362	72.7
338.27499	2.2
418.58871	1.0
475.98453	1.0
491.37335	100.0
492.37405	4.2
509.38281	1.7
601.36041	1.1
764.15356	1.2
850.51257	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	848.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	4.4
61.02930	9.1
65.03947	2.1
67.05508	89.0
68.05849	1.5
69.03432	1.5
69.07068	7.0
69.43303	4.5
70.76878	0.5
71.05001	2.8
73.02934	3.2
79.05497	19.4
79.05964	1.0
81.03404	0.7
81.07062	33.1
82.07428	0.5
83.04989	0.7
83.08620	7.7
85.02907	14.6
85.06554	3.2
85.07021	0.5
91.03965	8.3
91.05485	12.4
93.07049	21.6
95.04967	2.0
95.08610	25.4
97.02890	7.0
97.06528	1.0
97.10176	2.2
99.04492	1.2
105.07034	6.1
107.08597	11.8
109.02934	0.5
109.06543	1.1
109.10161	75.6
110.10525	0.9
111.08083	2.7
113.09652	1.0
115.03967	0.5
117.07047	3.2
119.08583	11.1
121.10146	9.8
123.11742	3.1
125.09608	0.9
126.38666	0.5
127.03911	3.5
131.08560	5.3
133.10130	4.9
135.11710	8.4
137.09598	3.8
137.13217	1.3
139.11234	0.7
145.04968	4.8
145.10153	3.0
147.11694	3.8
149.13254	4.8
151.11177	0.9
151.14804	0.6
155.10686	6.0
159.11719	2.8
161.13258	2.8
163.06032	5.2
163.14813	2.6
173.11777	17.9
173.13281	3.5
175.14886	1.6
177.16443	1.2
187.14850	1.9
189.11208	0.7
201.16403	0.6
227.12764	6.9
229.14360	100.0
230.14693	1.8
233.22662	0.6
243.21123	6.0
259.20386	0.6
261.22150	19.3
311.12064	0.6
317.24750	2.2
335.25806	64.8
336.26157	2.5
379.29684	1.4
397.30820	2.0
415.32047	1.9
471.34784	2.4
489.35785	46.1
490.35858	2.1
507.36908	6.6
632.97906	0.7
676.48993	0.6
758.43298	0.6
848.48376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.4
65.03955	0.5
65.31300	0.4
67.05512	4.5
69.03433	2.8
69.07063	1.9
70.06596	0.8
71.04999	0.7
73.02915	2.9
75.54720	0.4
79.05498	4.9
81.03428	1.4
81.07067	5.0
83.05000	0.8
83.08605	0.8
85.02925	4.2
85.06545	0.6
89.58060	0.4
91.03958	2.3
91.05483	4.6
93.07062	4.6
95.04989	1.4
95.08622	2.9
97.02877	3.5
97.06541	0.6
99.04494	0.8
101.02402	1.4
105.07042	3.0
107.08606	2.3
109.02898	0.6
109.06534	0.7
109.10162	0.9
111.08096	0.6
115.03947	0.7
117.07033	1.3
119.08604	2.6
121.10158	0.8
122.89271	0.5
127.03934	1.2
131.08626	1.2
133.10164	1.6
135.11685	1.1
145.04993	0.5
145.10144	1.3
147.11757	1.2
157.10173	0.6
159.11710	0.8
160.83902	0.4
161.13261	0.6
171.11755	0.5
185.04289	1.1
201.03653	0.4
237.99599	0.4
243.08418	3.3
267.33337	0.4
267.71292	0.4
301.09152	1.9
315.10568	0.7
333.20294	2.3
389.23502	0.8
439.19510	1.1
453.21078	0.7
465.21335	0.6
535.28845	4.8
551.28290	5.5
552.27905	0.6
598.54852	0.5
623.30450	0.9
747.41119	0.5
845.50201	100.0
846.50720	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	848.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	3.0
61.02928	10.7
65.03944	2.0
66.10120	0.4
67.05505	100.0
68.05819	1.1
69.03431	2.5
69.07061	6.9
69.87785	2.4
71.04996	3.0
71.08597	0.6
73.02913	4.4
79.05495	21.9
80.07558	0.5
81.03420	0.9
81.07059	40.9
83.04969	1.2
83.08627	9.4
85.02908	14.8
85.06542	2.9
87.04505	0.5
87.89219	0.5
91.03963	8.1
91.05482	16.1
93.07046	28.4
95.04974	2.3
95.08611	27.5
95.09225	0.8
96.04488	0.8
97.02888	6.2
97.06533	1.6
97.10169	2.0
99.04452	0.7
99.08073	0.7
105.04526	0.6
105.07019	8.7
107.08598	17.6
109.02869	0.6
109.06543	0.9
109.10159	75.3
110.10531	1.0
111.08090	3.6
112.27770	0.5
113.06071	0.5
117.07022	3.2
119.08585	12.0
119.09446	0.7
121.10136	10.4
123.08099	0.9
123.11673	3.2
125.09672	1.2
127.03947	3.1
131.08574	5.7
133.09221	0.8
133.10133	7.0
135.08115	0.7
135.11696	9.0
135.38235	0.5
137.09604	3.3
137.13295	1.5
145.04924	4.0
145.10133	4.8
147.11723	3.4
149.09650	0.8
149.13237	5.6
149.14326	0.6
151.14798	0.7
155.10692	5.3
157.10223	0.5
159.11644	3.4
161.13211	2.8
161.79778	0.5
162.07625	0.5
163.06026	4.2
163.14803	2.9
171.11662	0.6
173.11758	18.4
173.13287	4.7
174.24774	0.5
175.14821	1.0
177.12773	0.5
187.14883	2.4
189.11276	1.1
201.16443	0.7
208.07678	0.5
227.12791	5.6
229.14355	91.7
230.14758	1.4
233.22838	0.5
243.21082	5.6
261.22156	21.2
291.23141	0.6
317.24768	3.9
335.25803	75.5
336.26239	2.8
373.18491	0.6
379.30075	1.1
397.31110	1.3
399.43057	0.5
415.32034	1.4
471.35010	2.6
489.35745	69.2
490.36288	3.2
507.36789	7.0
633.39996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07383	0.3
65.03938	0.9
67.05499	0.8
68.05029	5.8
69.03422	0.7
69.05811	4.7
69.07078	0.7
70.06591	4.0
71.47285	0.5
72.08160	0.5
74.84416	0.3
79.05470	0.6
81.03432	0.4
81.07063	0.9
84.08144	0.5
85.02898	0.8
86.09711	6.2
91.05483	20.0
93.07034	0.7
95.04970	1.0
95.08625	0.4
96.04507	0.9
97.02917	1.1
97.06496	0.5
98.09669	0.4
103.05478	3.0
105.07039	0.8
107.04961	2.5
107.08618	0.5
109.02879	0.4
115.05471	0.6
117.05774	2.4
117.06983	0.5
118.06548	48.4
119.04957	2.0
119.06844	0.5
119.08597	0.5
120.08113	20.3
121.06516	0.9
121.08459	0.5
123.04417	1.4
124.03958	13.9
127.03901	0.7
130.06528	0.8
131.04951	0.9
132.08104	0.8
134.05995	1.1
135.06749	0.9
136.07581	10.4
137.05952	0.9
143.08574	0.4
145.06493	9.6
145.10109	0.6
146.06013	100.0
147.04405	1.4
147.06371	1.3
147.11661	0.5
148.07585	1.0
152.05891	0.6
153.05452	0.6
157.06493	0.7
158.07230	0.5
159.08040	0.5
160.11195	3.2
163.03896	0.7
165.05486	1.7
167.07069	0.9
170.09648	1.3
171.10400	3.3
172.07585	0.6
172.11246	0.8
173.07147	0.5
174.09155	9.8
177.05447	0.5
179.11107	0.3
182.08231	1.5
184.07657	0.4
186.05611	0.4
186.09138	1.7
187.12308	4.7
198.09145	0.9
200.07086	7.5
201.10242	1.2
203.11790	5.3
212.06953	0.8
213.10257	0.6
214.08672	0.6
215.11813	3.8
229.09700	1.7
231.11198	0.3
236.10596	0.6
238.12271	0.4
241.09778	0.5
241.15311	0.3
243.11316	3.9
245.09207	4.2
249.12384	0.3
249.15875	0.7
257.09213	0.7
271.10883	0.3
274.12109	0.5
277.15311	0.4
281.12753	1.6
293.12845	0.6
295.16422	1.0
309.12396	4.2
313.15488	6.8
319.14276	0.9
325.15164	0.6
331.14490	0.4
340.16351	0.4
342.18134	2.0
348.16971	0.9
350.18735	0.5
370.17670	0.4
376.16541	2.1
378.18124	21.0
379.18234	0.6
404.15976	2.8
446.24197	0.6
452.30792	0.3
478.21042	0.6
489.24576	1.3
491.26318	1.1
506.20554	0.7
517.24457	4.7
519.25885	0.8
523.23413	6.5
535.25299	0.7
551.22961	24.6
552.22894	1.7
579.24353	0.5
636.31122	1.0
652.30927	0.5
664.31409	1.5
680.30640	1.8
698.31903	8.7
700.32831	0.9
799.37689	0.4
845.37628	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.7
61.02927	2.7
64.67400	1.2
65.03945	3.7
67.05511	100.0
69.03427	5.6
69.07074	26.5
70.06578	1.4
71.00799	3.2
71.04992	4.2
79.05501	52.8
79.56358	1.3
81.03425	6.1
81.07065	87.6
83.04990	4.1
83.08627	20.1
85.02911	3.5
85.06560	2.9
91.03977	1.3
91.05491	37.0
93.07058	58.4
95.05000	7.4
95.08617	50.1
97.02909	2.8
97.06548	7.0
97.10175	12.6
99.08100	2.4
105.07037	27.9
107.04971	5.4
107.08607	35.8
109.06517	5.5
109.10165	42.1
111.08102	5.7
112.29465	1.4
116.07074	3.5
117.07037	12.4
119.08586	23.6
119.56966	1.2
121.06504	2.7
121.10156	22.0
123.08112	3.2
123.11710	6.4
125.09637	8.5
127.03998	1.6
129.07039	3.2
131.08591	16.5
133.06540	1.5
133.10144	20.6
133.29948	1.3
135.08061	5.0
135.11710	15.8
137.09627	4.3
141.07016	1.8
143.08592	3.5
145.10147	13.4
147.11690	13.4
149.09660	8.4
149.13295	10.0
151.11214	1.8
157.10181	4.3
159.11742	10.6
161.13280	6.3
163.11224	3.0
163.14832	4.4
169.10193	3.8
171.11757	3.7
173.11755	9.0
173.13278	5.5
175.14896	2.7
177.12799	4.0
177.16405	2.4
179.14297	1.6
183.11714	1.6
185.77026	1.6
187.14870	2.4
189.11273	4.9
191.14381	1.4
195.13824	1.7
197.13249	1.5
201.16626	1.5
227.12778	11.6
229.14365	29.8
229.19499	2.9
243.21114	3.3
245.13875	7.1
257.19055	3.0
261.22186	11.7
267.15942	1.6
269.17548	16.7
275.20062	19.6
293.21399	3.0
313.27405	4.8
317.24838	2.8
333.24493	3.2
335.25824	85.9
336.26303	1.8
349.23779	18.9
367.24930	12.4
415.80994	1.6
419.24884	1.5
483.36777	5.8
489.35931	23.6
507.37094	2.9
529.38940	45.1
530.38953	3.1
569.42322	2.4
609.45233	27.5
627.46179	15.6
842.46600	6.5
843.49060	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	8.0
67.05170	7.5
67.05507	88.0
69.03417	11.7
69.07065	44.0
70.06581	23.1
71.04990	7.2
71.08606	5.7
79.05499	100.0
80.05819	6.3
81.03412	16.1
81.07063	95.7
83.04981	8.8
83.08626	16.6
83.25072	5.6
85.02927	6.2
85.06560	9.4
85.88548	5.0
91.05486	85.7
93.07042	86.4
95.04967	18.9
95.08608	74.5
97.02855	5.7
97.06541	16.5
97.10186	10.5
99.08109	6.1
105.07039	93.7
106.07343	11.2
107.04976	7.1
107.08593	41.0
107.09250	6.7
109.10183	30.0
110.71740	5.7
116.07075	28.5
117.07005	31.9
119.08608	49.8
121.10118	27.4
121.43510	5.1
122.55902	5.1
123.08046	8.7
125.09595	13.3
127.03897	6.0
128.06236	5.7
128.85999	4.9
129.07005	22.0
131.08606	37.0
133.10159	48.3
134.10495	6.5
135.11661	18.4
139.11324	5.2
143.08562	16.0
145.10083	32.1
147.08070	5.5
147.11687	25.8
149.13219	6.0
151.11229	8.8
155.08514	11.3
157.10135	22.4
159.11751	25.3
161.09566	7.3
161.13226	9.0
166.84164	4.8
169.10188	12.9
169.12006	5.1
171.11688	21.1
173.13249	11.7
175.11148	7.1
177.12819	6.0
181.10008	4.8
183.11603	10.6
185.13193	8.5
188.46606	5.1
189.11238	8.6
195.11751	7.7
197.13257	8.0
199.14795	7.6
209.13223	6.1
241.19577	7.3
253.14278	9.8
259.20572	25.1
260.20728	5.8
273.18552	10.7
277.21915	6.1
285.07672	7.4
291.19543	14.2
293.21069	22.9
333.24268	23.7
334.24860	6.6
335.25711	20.7
365.23285	6.4
367.24368	8.2
486.00916	5.5
527.37274	8.7
607.43219	8.6
609.45007	26.8
625.43896	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	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	4.5
64.90534	2.3
65.03925	3.8
67.05508	100.0
69.03432	19.5
69.07070	62.1
71.05001	24.0
71.08659	2.6
71.56194	2.4
71.56580	2.9
73.02895	4.5
77.03922	3.2
79.05495	94.4
81.03426	25.2
81.07060	97.8
83.01792	2.6
83.04972	12.1
83.08604	9.8
85.02899	8.1
85.06530	6.3
91.05486	60.5
93.07051	81.9
95.04967	19.7
95.08610	60.5
97.02879	10.0
97.06535	85.7
97.10159	5.4
99.08080	5.6
103.05475	5.2
105.07027	50.7
107.04968	14.8
107.08598	46.3
108.44173	2.7
109.02891	5.5
109.06520	21.2
109.10176	25.8
111.08100	5.7
113.06025	3.0
113.70562	2.6
115.05454	3.8
115.07569	31.4
116.07138	3.6
117.07018	26.2
119.08590	32.5
121.06521	8.7
121.10170	33.9
123.08049	6.8
123.11688	8.0
127.03864	7.4
129.07016	8.8
131.08566	29.2
133.06509	5.9
133.10141	22.8
135.08055	11.1
135.11722	21.0
137.09572	4.6
141.07010	3.5
143.08572	7.5
145.10118	16.5
147.08038	5.9
147.11688	15.8
149.09624	8.0
149.13248	11.3
151.11214	7.9
156.16156	2.5
157.10155	11.3
159.11708	11.8
161.09604	8.4
161.13257	5.6
163.11110	3.9
163.14745	2.5
166.96550	2.7
169.10086	4.4
171.11780	5.9
173.04492	5.5
173.13191	5.8
175.11140	5.6
177.12718	5.3
183.11629	3.0
185.13214	3.3
187.14848	7.0
193.12109	2.9
195.11659	4.1
195.13774	8.3
197.13219	4.3
199.11299	2.6
199.14841	4.0
205.12253	3.1
217.15884	7.4
227.17859	3.9
243.21178	3.7
245.19061	4.9
253.14400	5.6
261.22095	8.7
267.16006	4.7
269.17477	17.4
273.18536	34.3
291.19479	19.6
307.18985	5.9
335.25815	77.6
347.22281	14.9
365.23260	16.8
369.24536	2.9
383.46249	2.9
446.34430	3.0
477.28653	2.9
515.37183	3.7
529.38831	28.8
607.43079	3.5
625.44696	16.5
643.44885	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	2.3
61.02898	2.5
65.03938	4.8
67.05507	100.0
69.03442	19.7
69.07072	57.4
69.50231	17.0
71.04996	22.4
73.02914	8.2
77.90688	2.2
79.05497	85.1
81.03423	26.7
81.07057	95.9
83.04981	14.2
83.08630	13.5
85.02893	7.7
85.06537	3.9
91.05487	69.2
93.07048	79.2
95.04977	21.3
95.08612	58.2
97.02921	12.7
97.06532	92.9
97.10166	4.9
98.20690	2.8
99.04439	5.1
99.08106	4.7
103.05470	2.6
105.04522	2.2
105.07027	46.6
107.04980	10.1
107.05581	2.3
107.08598	43.1
109.02862	2.5
109.06509	23.2
109.10162	25.7
111.08101	7.9
115.05435	2.7
115.07567	23.5
117.07038	24.9
119.07792	3.2
119.08585	31.7
121.06494	9.1
121.10139	27.9
123.08045	8.4
123.11678	9.8
125.09626	3.1
127.03911	7.7
128.06206	3.0
129.05522	3.7
129.07005	8.5
131.08580	30.6
133.06516	5.0
133.10156	22.8
135.08061	11.9
135.11719	14.9
137.09615	3.6
141.06955	3.6
143.08516	7.7
145.04915	2.3
145.10139	21.7
147.08052	5.9
147.11661	13.3
149.09636	6.6
149.13266	13.8
151.11177	4.8
155.08557	4.3
157.10162	11.0
159.08041	3.6
159.11716	16.4
161.09583	7.7
161.13219	4.9
163.11171	3.8
169.10094	4.3
171.11636	5.9
173.04425	10.3
173.09605	2.9
173.13252	6.9
175.11148	5.5
175.14723	4.0
177.12709	3.3
179.10707	2.5
185.13258	5.7
187.14824	5.0
189.12639	2.9
193.12247	4.9
195.11667	2.5
195.13753	3.8
196.07295	2.3
196.19801	2.2
197.13196	3.8
197.69994	2.1
199.14844	4.3
213.12799	2.2
215.14616	2.5
217.15862	6.6
218.04250	2.4
221.15411	3.7
232.88107	2.2
233.15352	4.4
237.16469	3.5
245.19035	3.3
253.14191	4.6
255.17712	4.0
259.20496	3.3
261.22119	9.1
267.15860	5.5
269.17459	15.0
273.18506	31.1
275.20001	3.5
291.19534	17.7
293.21069	2.4
335.25803	88.6
336.26062	3.2
347.22253	13.8
365.23187	13.1
383.24167	3.0
515.37061	2.8
529.38892	28.0
530.11176	2.2
607.43414	7.1
625.44641	17.5
643.46204	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.0
64.67094	2.2
65.03940	7.7
67.05509	99.6
69.03442	12.7
69.07068	34.9
69.73855	3.7
69.74260	9.7
70.06572	3.3
71.04975	8.1
73.02898	3.6
73.66935	2.5
77.03880	3.4
79.05498	92.0
81.03418	19.6
81.07062	100.0
83.05000	12.1
83.08620	20.3
85.02901	6.3
85.06557	5.5
91.05486	97.7
93.07048	88.5
95.04986	16.0
95.08611	59.3
97.02886	4.8
97.06542	13.1
97.10172	8.9
98.21511	2.4
99.04439	4.0
99.08070	4.0
105.04521	2.8
105.07037	89.0
107.04952	11.4
107.08600	52.8
109.02865	3.0
109.06508	9.2
109.10160	24.0
111.08055	7.4
115.05490	2.4
117.07032	37.8
119.07797	4.3
119.08591	61.7
121.06472	4.0
121.09426	3.1
121.10157	33.0
123.08060	4.9
123.11729	6.0
125.09621	4.7
127.03885	3.6
128.06197	9.1
129.07022	25.1
130.07770	2.5
131.08571	46.7
133.06421	3.2
133.10138	55.5
135.08044	6.4
135.11707	25.6
137.09613	3.9
139.07521	2.9
141.07001	7.9
142.07747	6.5
143.08566	25.5
145.10129	39.5
147.07956	3.4
147.11708	38.2
149.09601	10.1
149.13286	11.3
151.11256	2.9
155.08554	12.0
156.09312	2.4
157.10144	23.2
159.08018	3.7
159.11703	36.8
161.09679	3.8
161.13277	23.2
163.11156	5.1
167.08603	6.7
169.10149	11.7
171.11670	18.6
173.11955	2.7
173.13255	14.3
175.14819	7.6
177.12733	5.1
181.10104	9.0
183.11737	12.2
185.13286	14.4
187.14830	5.0
189.12692	4.5
193.10152	3.3
195.11726	6.3
195.13742	3.3
197.13226	8.5
199.14844	8.6
201.16391	2.6
209.13304	7.4
211.14867	7.2
213.16385	3.3
217.15810	3.2
221.13306	3.2
223.14819	3.7
225.16449	3.6
241.19521	12.6
247.20407	3.4
255.15872	6.9
257.18994	7.0
259.20590	39.7
260.10248	2.6
261.22141	3.1
267.55621	2.3
269.17596	11.6
273.18521	3.0
275.20154	18.6
285.21854	3.4
297.21902	4.0
315.23172	7.1
327.23364	3.4
333.24338	34.3
335.25876	3.0
349.23846	14.4
351.25647	2.5
367.24924	4.9
403.29794	2.5
435.32620	5.4
487.34122	2.9
501.35367	4.7
513.35834	19.7
515.38086	4.9
525.35333	2.9
527.37177	27.2
545.38025	4.4
597.44971	3.5
607.43878	23.5
625.44745	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69194	3.2
61.02921	4.4
65.03934	6.1
67.05508	100.0
69.03415	6.7
69.07071	37.4
69.66084	3.6
70.06586	12.9
70.34973	3.8
71.05000	6.2
71.55625	4.1
73.56275	3.2
79.05501	82.0
81.03434	15.1
81.07065	82.7
83.04987	9.9
83.08625	19.6
85.02905	5.9
85.06566	6.4
87.52499	3.9
89.61687	3.5
91.05484	93.7
92.05828	5.8
93.07053	84.2
95.04982	15.0
95.08616	54.7
97.06546	12.7
97.10168	13.8
105.07034	85.4
107.04980	11.9
107.08598	47.5
109.06510	9.3
109.10156	22.9
111.08095	7.7
112.36212	3.8
115.05447	4.3
116.07117	11.1
117.07023	34.0
119.08588	56.6
121.10162	36.5
123.08098	6.1
123.11734	4.9
125.09644	10.5
128.06230	6.0
129.06998	22.5
131.08575	40.4
133.06491	3.9
133.10136	47.9
135.08052	7.8
135.10840	3.8
135.11682	22.1
141.06992	7.3
142.07793	5.8
143.08591	23.9
145.06508	3.5
145.10150	34.7
147.08040	4.9
147.11719	30.6
149.09628	7.7
149.13295	15.4
151.11302	4.7
153.07016	3.5
155.08611	12.7
157.10161	20.3
157.74788	3.9
159.11711	28.2
161.13254	20.0
163.11191	7.1
163.14801	4.9
167.08595	4.0
169.10175	14.4
171.11737	18.7
173.13219	17.4
175.14841	5.6
175.42982	3.6
177.12761	4.4
181.10124	5.4
183.11729	16.3
185.13303	16.2
187.14774	6.0
194.53882	3.4
195.11699	9.0
196.07420	3.9
197.13348	8.3
199.14944	5.9
207.11755	4.0
209.13286	9.8
210.04964	4.0
211.14809	7.3
213.16319	6.8
219.13937	4.0
221.13297	6.5
223.14905	4.4
227.12733	6.5
229.14297	4.5
229.19455	5.2
237.16551	5.4
239.18042	6.0
241.19524	13.3
255.15739	5.2
257.19083	11.9
259.20554	31.1
269.17517	11.1
275.20129	28.9
277.21921	4.3
291.19382	5.2
315.23090	4.1
333.24243	30.5
335.25696	7.3
349.23468	20.6
421.30554	4.7
513.35852	11.1
515.39050	6.6
527.37445	19.4
533.39447	5.1
589.43341	4.3
607.43640	30.7
625.44244	21.0
639.99426	4.0
643.45239	5.0
660.43274	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	839.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	40.3
67.05509	88.0
67.06091	5.3
69.03442	12.2
69.07076	19.3
70.06585	30.3
71.04988	8.1
72.08147	9.1
73.02911	17.2
79.05500	52.9
81.03426	10.7
81.07066	98.6
83.08620	12.8
85.02908	69.6
86.09712	8.2
87.04451	5.2
91.03968	52.6
91.05473	35.3
91.98392	5.6
93.07059	65.1
95.04981	7.9
95.08613	68.3
97.02900	28.8
97.06568	7.1
105.07030	30.4
107.08591	45.6
109.10172	49.9
115.04020	5.6
117.07056	10.8
117.96333	5.3
119.08591	26.4
121.10151	49.9
123.11723	15.6
127.03897	13.9
131.08588	16.8
133.10143	16.1
135.02789	5.8
135.11717	28.2
137.13203	5.8
145.04974	25.0
145.10146	21.8
146.08177	7.1
147.11697	14.1
149.13268	18.5
159.11690	8.8
160.79024	5.3
161.13329	16.0
163.06035	51.9
163.14870	6.9
173.13277	15.8
175.14824	7.4
177.16315	8.9
187.14845	10.8
201.16451	6.6
243.21138	35.9
261.22162	100.0
335.25916	45.2
352.54819	5.6
353.26846	53.6
468.12064	6.6
493.84369	5.2
497.30966	11.5
677.48480	8.2
746.81708	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.5
65.03928	8.1
67.05508	96.1
69.03423	8.2
69.07072	35.9
71.04980	8.6
79.05064	5.9
79.05495	87.2
81.03416	15.7
81.07062	100.0
83.04967	13.1
83.08613	19.0
85.02898	7.2
85.06546	3.9
91.05479	89.6
93.07046	95.8
95.04963	13.2
95.08607	55.4
97.02887	5.4
97.06557	15.1
97.10178	7.0
97.19430	2.9
98.09744	5.3
99.04485	3.8
99.08095	5.9
103.05487	3.0
105.07034	90.2
107.04939	7.6
107.08595	49.5
109.06491	9.2
109.10165	20.8
111.08061	6.7
115.05486	5.2
117.07017	34.8
119.08587	65.1
121.06462	5.6
121.10146	34.2
123.08089	3.7
123.11707	6.2
125.09612	3.8
128.06189	3.3
129.07016	13.9
130.07753	3.6
131.08571	41.5
133.06509	4.1
133.10146	48.7
135.08035	7.6
135.11694	29.7
137.09738	3.7
141.06981	6.5
142.07834	6.2
143.08578	21.7
145.10129	40.2
147.08112	4.1
147.11685	33.0
149.09605	12.3
149.13297	18.0
155.08549	13.1
157.10156	19.9
159.08014	3.8
159.11690	30.1
161.09627	3.1
161.13300	16.9
163.11229	8.0
163.14799	4.3
167.08624	4.5
168.09415	4.2
169.10115	11.1
171.11667	21.3
173.13330	13.8
175.14839	7.6
177.12714	5.6
181.10091	5.6
183.11678	9.3
185.13278	17.4
187.14818	6.7
193.10094	2.9
195.11823	4.2
195.13853	6.2
197.13269	6.6
199.14851	5.2
209.13261	4.2
211.14828	5.5
213.16428	6.6
223.14938	4.6
229.19392	3.2
239.18024	3.0
241.19504	19.4
251.45097	3.1
253.14392	4.0
255.15880	13.2
256.98294	3.1
257.18948	5.4
259.20566	39.6
267.15967	7.7
269.17447	22.9
271.20667	3.1
273.18567	6.3
275.20148	21.9
277.21832	3.3
301.21411	4.8
315.23282	6.7
325.25055	3.0
331.86349	3.1
333.24316	36.7
335.25671	10.2
349.23807	9.8
353.24704	3.5
365.23184	7.4
367.24747	4.4
435.32611	9.3
453.33533	6.2
509.36108	4.8
513.35895	14.7
515.37592	4.1
527.37317	55.6
531.37152	3.6
545.38055	9.6
607.43536	17.8
625.44763	24.2
841.46747	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	2.2
65.03927	3.3
67.05509	64.4
67.26925	1.7
69.03438	13.2
69.06737	2.3
69.07076	37.3
71.05003	3.3
71.56630	2.2
75.65186	1.6
76.50679	1.8
79.05500	59.5
79.05962	3.3
79.64775	1.5
81.03449	8.7
81.07066	55.7
82.07383	2.1
83.04973	6.8
83.08627	15.8
84.67951	1.6
85.02914	2.6
85.06540	3.1
87.04458	5.8
91.05485	59.8
93.07050	52.8
95.04974	14.5
95.08611	29.6
97.02879	8.1
97.06516	6.3
97.10172	21.4
103.05467	3.7
103.28513	1.6
105.07037	62.8
107.04939	7.7
107.08594	29.8
109.06519	6.1
109.10160	19.3
111.08074	4.2
115.05459	1.8
116.06272	2.0
117.07020	20.7
119.08586	43.7
121.06483	4.6
121.10152	16.3
123.08042	6.1
123.11687	3.5
125.09662	16.6
128.06206	3.0
129.07010	16.2
131.08583	27.1
133.06477	3.9
133.10135	34.5
135.08060	5.1
135.11717	10.6
136.06161	5.8
137.09592	4.7
138.00609	1.8
141.07021	3.7
142.07799	3.3
143.08580	13.4
145.10127	20.1
147.08060	9.4
147.11707	28.3
149.09615	4.4
149.13258	8.0
155.08542	5.2
157.10121	12.2
159.11713	14.9
161.09673	2.1
161.13237	14.8
163.11214	3.7
163.14743	2.7
165.08980	1.9
167.08539	3.0
169.10088	5.9
171.11688	10.4
173.11955	2.4
173.13240	11.9
175.11185	3.7
175.14836	10.8
177.12746	3.0
181.10161	3.5
183.11713	4.0
185.09602	2.0
185.13203	11.3
187.14835	4.1
189.11237	7.8
197.13252	4.8
199.14804	5.8
201.16331	3.7
207.11598	2.3
209.13246	3.1
213.16473	2.9
223.13248	16.8
225.16249	2.3
227.12759	11.3
231.20883	3.5
241.19551	20.3
245.13933	2.5
249.14642	2.3
257.19095	3.8
259.20612	46.2
273.18594	9.4
275.20050	5.7
289.18008	2.5
291.19571	100.0
292.19818	4.1
295.20941	2.0
299.23895	3.2
313.27530	2.1
315.23267	6.9
333.24289	47.2
334.24310	2.1
335.25861	2.6
365.23264	37.8
379.30011	5.2
381.23032	1.9
525.35669	10.9
531.38293	3.4
543.36627	7.8
605.41577	6.9
623.33362	3.6
623.43066	47.8
623.53143	2.6
624.42749	2.8
641.44269	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	7.3
67.05506	84.6
69.03433	11.9
69.07069	51.1
69.22781	26.2
71.04988	5.9
73.02917	3.0
75.84926	2.2
79.05061	5.3
79.05496	72.0
81.03409	15.2
81.07059	99.0
83.04985	12.0
83.08629	17.1
85.02896	2.9
85.06518	3.5
87.04472	11.2
91.05482	88.2
93.07044	71.8
95.01331	8.8
95.04977	19.6
95.08607	51.1
97.02911	5.9
97.06532	28.5
97.10163	18.1
99.08083	2.8
105.07034	100.0
106.07381	3.4
107.04951	22.4
107.08600	47.6
109.02845	3.3
109.06544	8.3
109.10173	22.7
111.04449	2.3
111.08117	6.1
115.05438	3.2
116.06236	3.1
117.07007	30.7
119.08590	59.9
121.06507	9.9
121.10143	21.9
123.04434	3.0
123.08071	5.8
123.11715	5.9
125.09648	11.7
129.07013	14.4
130.07780	2.5
131.08580	42.9
133.06519	4.7
133.10135	60.8
135.08070	8.4
135.11703	16.3
136.06184	8.9
137.09621	2.9
138.99965	2.2
141.07079	2.5
141.30472	2.3
143.08589	9.1
145.10120	32.4
147.08057	5.7
147.11700	32.5
149.09604	13.9
149.13272	10.5
151.11183	3.6
155.08623	4.9
157.10187	11.7
159.11703	22.8
161.09621	5.8
161.13297	19.4
163.11192	7.0
168.09424	2.8
169.10126	3.9
171.11676	14.7
173.09758	2.5
173.11922	3.4
173.13248	13.7
175.14786	5.7
177.12801	3.9
179.14331	11.6
181.10225	2.9
183.11713	7.8
185.13341	7.7
187.11153	2.8
189.11243	4.5
189.12793	4.4
197.13324	3.8
199.14897	4.0
209.13390	2.8
219.17484	5.7
223.13277	7.3
227.12810	10.1
239.17909	3.9
241.19577	10.3
249.14894	3.0
255.15889	4.4
257.19049	10.8
259.20581	22.2
269.17477	10.4
273.18469	9.5
275.20065	67.9
277.21475	2.6
291.19565	62.7
291.22885	3.2
293.21213	4.3
315.23080	2.8
333.24338	21.7
349.23749	40.7
365.23297	20.5
381.22971	2.5
525.36017	4.4
529.35400	16.7
543.36853	84.5
544.37109	3.9
605.41626	3.6
623.43085	41.1
624.43182	3.4
641.43903	7.8
687.40869	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	838.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.7
67.05511	92.8
69.03420	7.5
69.07074	31.6
70.06583	2.1
71.04978	6.5
71.08647	3.0
71.56183	4.3
79.05499	73.5
81.03405	7.8
81.07065	95.0
83.04987	13.0
83.08627	13.3
85.02883	3.8
85.06563	10.1
87.04472	5.2
91.05485	98.7
93.07047	78.8
95.04970	17.4
95.08614	47.4
97.06532	9.2
97.10177	6.1
97.63531	2.2
99.04456	3.7
99.08130	2.7
103.05463	4.8
105.04508	2.3
105.07038	100.0
107.04960	7.1
107.08598	58.9
109.06525	8.3
109.09464	3.9
109.10164	58.7
110.50808	2.2
111.08068	6.4
113.05983	3.4
115.05451	4.8
116.07085	2.5
117.07018	29.7
119.08582	54.9
121.06496	7.3
121.10158	21.7
123.08079	4.9
123.11715	10.1
125.09627	5.0
127.07565	3.7
128.06186	4.2
129.07007	12.9
129.97932	2.1
130.07816	2.9
131.08577	37.6
133.06506	3.9
133.10139	94.8
135.08076	8.6
135.11690	17.4
137.09592	3.9
137.13232	2.5
141.06982	2.7
142.07745	3.6
143.08586	19.7
145.06485	2.9
145.10129	29.2
147.08011	5.0
147.11693	33.5
149.09605	6.4
149.13271	12.2
151.11201	29.5
155.08577	3.1
157.10121	14.9
159.08055	4.5
159.11726	20.3
161.09592	8.7
161.13243	18.5
163.11205	4.8
167.08568	3.3
169.10133	5.2
169.12234	3.7
171.11734	13.2
173.11880	3.1
173.13252	12.9
175.11177	4.8
175.14824	9.2
177.12759	3.7
179.14304	2.9
181.10071	2.8
183.11710	7.1
185.13283	6.5
187.14856	4.3
189.12798	3.2
193.10120	2.9
195.11615	2.9
197.13315	4.3
199.14844	5.2
201.16411	2.5
213.16292	2.7
215.12814	3.6
221.13268	3.5
229.14362	10.8
231.21054	6.4
241.19559	21.7
245.18953	2.9
253.14351	68.7
255.17136	2.1
257.18973	7.2
259.20581	45.9
263.20114	5.3
273.18552	14.1
275.20038	4.0
277.21689	2.8
291.19559	16.3
313.21524	3.9
315.23178	8.4
325.27283	7.3
333.24289	39.7
335.25739	3.3
347.22577	2.3
353.28275	3.4
365.23199	28.7
437.30426	3.2
455.31540	5.4
479.37457	8.1
501.35333	2.8
511.34018	16.1
529.35034	16.7
531.38562	4.0
549.39178	4.3
605.41888	8.0
623.42987	42.0
624.42896	2.9
641.43695	9.2
767.65027	2.4
842.79663	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	838.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.4
68.05021	1.4
70.06596	52.1
71.04991	1.1
74.77711	0.4
75.05608	10.8
80.05005	0.4
83.06102	1.8
84.04508	28.5
84.08134	1.4
85.02898	0.8
85.07658	1.2
86.06081	0.4
91.05490	7.6
92.37827	0.4
93.07055	0.5
95.06098	2.9
96.04512	2.5
96.07247	0.4
97.02876	0.7
97.07670	1.9
98.06047	0.7
98.21535	0.7
99.09174	0.5
101.07146	12.9
102.05541	3.6
103.05487	1.6
107.04948	1.6
112.08740	21.3
113.07142	4.1
114.10306	0.6
115.08698	9.0
118.06558	0.5
119.04953	6.0
120.08114	27.2
124.03965	1.3
124.08694	0.7
129.06598	4.6
130.04990	1.0
130.06520	0.7
131.04930	0.9
132.08136	2.4
136.07585	74.7
137.07944	1.5
140.08179	1.8
141.06589	3.6
146.06021	1.2
147.04422	1.7
148.07584	4.0
148.08699	1.0
151.05026	0.8
152.03455	2.5
152.08188	1.6
157.10849	0.5
158.09279	1.0
160.07603	1.2
163.03923	0.5
165.10326	0.5
167.08176	1.5
168.07724	0.5
169.06102	8.0
172.11223	0.5
176.07071	0.8
177.10263	3.0
179.08322	0.4
180.07782	0.4
181.09776	0.6
186.08737	6.1
187.07195	4.0
187.08690	0.8
193.09738	18.7
195.07712	1.7
198.08844	0.4
200.10706	0.4
203.08194	1.1
205.09769	3.0
206.09303	0.4
212.10316	1.7
213.08765	2.0
215.08243	1.3
216.15019	1.5
217.13399	1.6
220.10738	0.6
221.09247	2.8
222.12437	1.7
223.07170	1.4
227.11821	1.0
232.10757	0.5
233.12935	0.6
238.12311	1.0
240.09705	0.6
241.08182	3.2
242.12891	3.6
243.11258	0.6
244.14485	3.8
245.13016	0.6
252.09908	0.7
258.10892	1.2
259.11276	0.5
259.15573	13.4
261.12469	0.9
271.15594	0.5
277.11948	0.5
278.15158	0.6
280.09381	1.3
284.14169	0.6
286.11954	0.9
287.15137	2.4
288.13403	1.0
297.12088	0.9
298.10223	2.4
299.15048	0.5
303.14511	4.7
304.13040	3.2
304.17743	0.6
315.13293	1.3
316.13184	0.5
317.16302	0.6
325.12875	0.6
332.12436	0.6
333.15665	1.1
344.17245	1.2
355.12509	1.3
360.16791	1.8
361.20001	1.2
377.19623	0.7
399.16983	0.5
401.19409	0.5
415.15659	0.6
417.17984	0.4
433.17535	1.0
444.23718	1.3
471.20343	0.6
573.28271	0.9
793.36365	1.1
820.37457	0.5
821.35565	1.9
838.38428	100.0
839.38849	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	834.6146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07399	1.8
59.05005	25.6
59.15124	1.2
62.20501	1.2
67.05492	2.9
69.07055	4.4
71.08637	87.3
73.02894	1.9
73.06557	2.7
79.05497	1.7
81.07061	2.2
83.08619	1.8
85.10187	76.9
86.10555	1.7
87.04474	19.9
89.06036	100.0
91.05479	1.5
95.08549	1.5
97.10176	3.8
99.11740	13.9
101.09662	1.8
103.07571	2.4
107.07058	3.2
113.13287	5.0
117.09130	9.2
119.08600	1.4
130.08653	3.1
131.07057	6.7
133.08614	77.8
155.17976	10.5
170.83287	1.3
175.09677	4.3
177.11229	26.4
178.53252	1.5
191.12952	1.5
198.14943	1.1
202.93987	1.8
213.22131	18.5
219.12347	2.9
221.13837	6.4
239.15024	1.5
271.26208	8.2
291.33420	1.4
313.27249	2.2
347.46561	1.5
353.21841	2.2
401.42377	1.3
474.83591	1.4
547.33289	8.1
579.99463	1.4
767.49811	1.8
834.60992	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	834.6146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	23.6
67.05497	2.9
69.07066	3.2
69.91314	4.2
69.91713	2.3
71.08636	87.1
72.43667	1.4
73.02914	2.8
73.06567	3.4
81.07058	2.3
83.08614	2.8
85.10189	73.7
87.04468	19.4
89.06038	100.0
95.08615	1.9
97.10192	3.4
99.11745	15.7
101.09644	2.1
107.07050	2.2
109.10120	1.8
113.13286	4.6
117.09138	9.5
127.30001	1.4
130.08641	2.9
131.07039	6.5
133.08617	75.2
145.10167	1.5
155.17947	8.5
175.09676	4.2
177.11246	29.0
204.48671	1.3
213.22159	16.4
221.13817	6.2
239.14972	1.8
265.16620	1.6
271.26328	6.6
283.17618	1.7
284.95663	1.4
309.19107	1.6
309.88586	1.4
313.27368	2.7
327.20111	2.0
335.26181	1.9
503.29721	1.8
539.29327	1.6
547.33569	6.3
780.98694	1.9
826.51636	1.5
834.61493	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	833.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	0.4
67.35954	0.4
69.03439	3.6
71.01361	0.4
71.04995	1.1
71.28172	0.7
72.08158	0.6
73.02914	0.8
79.05508	0.5
81.03426	4.1
83.04987	1.0
84.08153	0.4
85.02910	5.9
86.09721	0.5
91.05482	0.7
93.07042	0.6
95.04981	0.6
95.08633	0.4
97.02901	42.4
98.03250	0.4
99.04465	6.7
103.03942	2.4
105.07052	1.0
109.02891	8.2
109.06543	0.4
111.04434	0.8
115.03936	5.8
119.04909	0.4
120.06087	0.3
121.06509	1.1
123.04470	0.6
125.02299	0.5
127.03927	100.0
128.04271	1.5
131.04921	0.6
135.04373	0.7
137.05974	0.6
139.03928	1.4
142.97409	0.3
145.04970	2.5
147.04439	0.8
149.05992	0.9
151.03983	0.6
151.07565	0.8
156.57697	0.4
157.05013	1.9
161.06021	1.4
163.06052	0.5
165.61606	0.4
169.04991	0.5
175.06087	0.6
177.05466	2.6
179.07091	1.0
181.04997	1.5
187.06052	1.5
193.04985	1.7
197.08153	1.4
199.06061	1.4
205.05017	4.9
205.06970	0.7
223.06042	7.4
229.07193	0.8
241.07097	10.2
251.06575	0.3
253.07094	1.1
259.08194	4.2
271.08215	1.0
275.96353	0.4
283.08148	0.7
289.09155	0.7
349.09293	0.7
367.10287	1.4
385.11331	1.9
403.12311	2.6
421.13406	3.8
529.15259	0.5
629.24493	0.4
678.29889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	100.0
59.06114	4.6
61.02922	4.9
65.03931	2.3
67.05511	21.2
69.03432	2.3
69.07057	5.4
70.06585	3.5
71.40634	1.7
73.02885	1.7
79.05493	15.3
81.06631	2.0
81.07062	16.4
82.06585	5.0
84.04509	2.9
84.08141	4.8
85.02924	2.9
91.03948	1.6
91.05477	12.0
91.09277	1.3
93.07043	16.0
94.06567	8.0
95.04949	3.4
95.07368	1.5
95.08607	11.9
96.08118	2.9
97.02894	1.8
97.06506	1.7
105.07034	9.0
107.08611	8.4
109.06511	1.3
109.10146	5.4
110.09655	1.8
112.07618	1.6
114.09154	1.3
116.07169	1.5
117.07027	4.9
119.08608	6.2
121.10113	5.3
122.09657	1.7
124.11211	3.7
128.67403	1.2
129.07042	1.4
131.08607	6.4
133.10143	3.2
135.11697	3.4
145.10141	3.2
147.11708	3.3
149.13258	2.2
152.10719	2.1
159.11716	2.0
164.14337	2.7
171.11662	1.6
173.13290	2.0
177.08707	1.1
201.75014	1.0
234.89323	1.2
253.14156	1.3
300.23245	1.6
306.65491	1.3
318.24155	2.7
335.25888	8.1
392.27884	3.3
412.26996	1.3
533.40234	1.3
572.43036	1.5
652.49188	4.2
670.50476	73.4
671.50250	3.7
832.43787	1.5
832.55725	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	831.4712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	7.4
61.78076	1.3
67.05505	5.6
69.03428	4.4
69.07084	1.2
71.08633	1.5
71.57110	1.5
73.02914	3.4
73.94185	1.2
75.35755	1.2
81.03426	1.8
81.07065	2.4
83.08612	1.7
85.02916	8.2
91.03948	4.2
95.08640	2.0
97.02915	6.7
97.10157	1.1
109.10199	5.6
127.03925	2.3
173.11775	1.7
214.28099	1.1
229.14388	1.8
243.08626	2.6
296.15399	1.4
313.27426	1.9
347.09601	1.5
405.13910	4.8
413.17853	9.1
497.30966	5.3
575.23236	8.8
659.36383	4.5
669.42609	2.3
718.05237	1.5
831.47113	100.0
832.47711	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	829.6341
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	6.1
67.05510	64.8
69.07076	31.6
70.06603	7.5
71.05004	9.7
71.55780	1.6
72.08163	3.9
73.06544	1.8
79.05501	56.9
81.03443	2.2
81.07062	73.9
83.04981	3.4
83.08629	16.4
85.02938	1.9
85.06549	1.8
87.04511	1.6
91.05490	48.8
93.07050	69.0
95.04984	5.7
95.08614	67.7
97.02938	1.9
97.06535	3.8
97.10165	10.2
99.08079	2.0
105.04556	2.2
105.07040	47.6
106.07355	1.6
107.08600	46.8
107.09283	2.7
107.54546	1.5
109.06511	2.2
109.10162	29.8
111.08125	3.0
111.11712	2.0
113.06027	1.9
115.05495	4.4
117.07025	28.3
117.07829	1.8
119.08594	37.2
121.10151	30.6
123.08108	2.0
123.11746	7.1
125.09692	6.0
128.06270	6.6
129.07010	20.4
130.07813	1.6
131.08582	35.2
133.10146	32.0
133.11095	2.6
135.08012	2.2
135.11713	24.9
137.13266	3.3
141.07063	7.1
142.07857	5.0
143.08580	25.7
145.10138	39.6
147.11696	23.0
149.13306	14.5
151.11174	1.9
151.14923	1.8
153.01904	3.4
153.07045	2.5
154.07881	2.1
155.08553	18.7
156.09369	3.4
157.10129	22.9
158.10938	2.0
159.11707	27.0
161.13255	14.0
163.11189	2.5
163.14877	5.3
165.06990	2.7
167.08623	9.1
169.10124	21.6
171.11711	19.8
173.13274	19.3
175.11270	1.6
175.14813	7.5
178.07785	2.1
179.08640	5.4
181.10120	12.7
182.10823	1.9
183.11655	17.1
185.13278	14.4
187.14877	9.8
187.51076	1.7
189.16415	3.8
193.10205	7.8
195.11688	13.9
195.13327	2.1
197.13275	15.0
199.14822	12.4
201.16461	5.5
203.18031	1.9
204.06544	1.5
205.10133	3.7
207.11754	8.9
209.13356	10.6
211.14876	7.7
213.16580	4.8
215.18005	2.6
219.11737	3.2
221.13310	5.5
221.15300	2.0
223.14899	6.2
223.16933	2.2
225.16478	5.3
227.18112	4.0
229.19630	1.8
233.13437	2.6
235.14909	5.0
235.17027	2.0
237.16446	3.9
237.18564	2.9
239.18007	3.7
241.19624	3.2
247.14865	3.2
249.16371	3.7
249.18707	2.7
251.17928	2.4
251.20264	2.1
253.19604	2.7
255.17703	1.8
261.16263	2.0
263.17844	2.7
263.20328	3.4
265.19516	2.8
269.18930	2.0
272.39691	1.5
273.18665	1.9
275.20212	3.0
277.21692	25.8
285.18814	1.8
289.21796	2.8
295.06046	1.8
297.22089	1.8
299.20129	1.8
301.21939	3.8
303.23343	3.9
309.22299	2.1
311.20349	2.2
313.21753	3.4
315.23267	5.6
317.24829	3.4
319.20596	2.1
321.22311	2.0
323.20258	1.8
327.23279	3.4
329.24707	3.2
331.26453	7.2
332.37833	2.0
339.23447	2.2
341.25064	3.3
343.26532	2.4
345.28061	5.0
355.26498	3.8
357.27872	8.8
359.23969	1.7
359.29578	4.5
367.26437	3.6
369.28104	5.7
371.29669	6.2
381.28348	2.8
383.29459	5.0
385.31213	6.1
395.29602	2.7
397.31320	2.2
405.27753	1.9
407.29315	2.4
409.31290	2.8
421.31223	2.8
431.31424	2.8
443.31879	2.7
445.33154	6.4
457.33292	4.6
459.34756	5.9
471.34964	5.7
473.36707	4.0
477.15729	7.5
483.35153	3.2
485.36368	3.0
497.36536	2.4
514.40509	1.8
551.41132	4.6
552.41602	2.8
553.42676	7.2
579.44067	2.6
645.49194	1.8
685.48267	1.7
759.56012	3.6
760.56726	2.6
811.62103	4.0
829.50720	4.9
829.63538	100.0
830.64044	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	829.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.7
65.03950	0.3
67.05508	4.4
69.03431	3.2
69.07085	1.8
69.30435	2.5
71.01375	0.4
71.05019	0.3
73.02914	3.8
79.05499	3.4
81.03441	1.7
81.07062	5.6
83.04999	0.4
83.08626	0.7
85.02908	4.7
87.04491	0.5
91.03974	3.3
91.05499	2.2
91.05988	0.3
93.07047	4.7
95.04965	0.7
95.08607	3.3
97.02890	3.9
97.06553	0.3
98.21506	0.5
99.04465	1.0
101.02375	1.5
103.91293	0.3
105.07021	1.6
107.08596	2.2
109.02888	0.8
109.10177	1.5
111.08151	0.3
116.40431	0.3
117.07034	0.6
119.08618	1.4
121.10143	1.6
122.14752	0.2
125.09670	0.3
127.03952	1.5
131.08574	0.9
133.10187	1.1
135.11743	0.8
142.39114	0.3
145.10156	0.6
147.11723	0.6
149.13318	0.6
157.10249	0.4
159.11678	0.4
170.69751	0.3
175.14896	0.3
185.04289	0.5
203.05302	0.4
243.08472	2.1
251.12686	0.3
301.08871	0.4
333.20267	1.9
335.26013	0.9
362.21649	0.3
372.31461	0.3
469.20227	0.4
519.29279	7.1
548.87286	0.4
551.28174	2.3
591.31854	0.5
717.42151	0.5
726.49634	0.4
731.43085	0.4
794.82568	0.4
829.50732	100.0
830.50848	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	829.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.7
65.03913	0.6
67.05510	3.9
69.03430	2.8
69.07072	1.5
71.01354	0.6
71.04995	0.6
71.08623	0.4
73.02932	2.4
79.05502	4.7
81.03426	1.4
81.07063	4.3
83.08610	0.8
85.02919	4.2
87.04475	0.8
87.99010	0.4
91.03965	1.7
91.05476	3.4
93.07047	5.8
95.04980	1.1
95.08607	2.9
97.02892	3.2
98.20776	0.9
99.04487	0.5
101.02370	1.1
105.07040	4.0
107.08614	2.7
109.02893	0.9
109.10177	1.4
115.03941	0.4
117.07055	1.5
119.08587	2.6
121.10162	1.6
123.11733	0.6
127.03951	1.2
129.07025	0.8
131.08594	1.9
133.10136	2.7
135.11755	0.9
145.10146	1.1
147.11674	0.9
149.13268	0.9
159.11728	0.6
161.13292	0.5
169.79625	0.4
175.14934	0.6
185.04308	1.1
227.13019	0.4
243.08386	4.0
259.20883	1.0
294.41769	0.5
301.09113	2.3
313.09027	0.8
315.10742	1.3
317.20853	0.9
327.10907	0.5
355.13962	0.5
355.52328	0.4
371.16745	0.5
397.18469	0.7
400.44174	0.4
461.21356	0.4
465.20978	1.3
472.13373	0.5
495.21985	0.5
525.23407	1.2
535.28809	13.5
536.28857	0.7
607.31110	1.3
685.53510	0.5
759.42505	0.7
829.50745	100.0
830.51019	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.9
65.03919	0.5
67.05507	6.9
69.03427	3.8
69.07079	2.1
71.05003	0.7
71.56414	0.5
73.02918	3.1
79.05494	4.3
81.03424	1.9
81.07059	6.1
83.08628	1.2
85.02913	4.2
91.03979	2.0
91.05488	3.2
93.07053	4.4
95.08614	4.0
95.48616	0.4
97.02896	4.7
97.10197	1.1
98.20964	0.4
100.64816	0.4
101.02367	2.0
103.19278	0.4
105.07049	1.9
107.08624	2.5
109.02869	1.0
109.10175	2.4
117.07008	0.6
119.08592	0.8
121.10179	1.5
123.11708	0.4
125.09631	0.9
127.03986	0.9
131.08606	1.0
133.10185	1.3
135.11670	0.7
147.11823	0.5
149.13280	0.8
151.11209	0.6
185.04216	0.6
187.14899	0.6
223.13295	0.5
227.12933	0.6
232.91530	0.4
243.08449	1.6
291.19675	0.6
331.18707	2.0
335.25821	1.2
462.86319	0.4
519.29272	8.7
549.26971	3.3
827.49152	100.0
828.49420	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	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.56310	0.6
61.02934	7.2
64.93713	0.5
67.05505	17.8
68.05843	1.5
69.03435	6.2
69.07076	6.2
70.16385	2.5
71.01350	1.0
71.05006	1.2
71.08611	0.6
72.93723	0.6
73.02927	5.3
76.55978	0.6
79.05492	9.5
79.66130	0.6
81.03426	2.8
81.07062	15.6
82.07403	1.4
83.04990	1.9
83.08630	2.8
85.02906	6.4
87.04454	1.1
91.03960	3.5
91.05489	7.5
92.05787	1.1
93.07044	11.9
94.07388	1.2
95.04984	2.1
95.08607	12.1
96.08932	1.1
97.02898	6.6
97.06551	1.8
97.10164	0.7
99.04465	1.1
100.09428	0.6
101.02391	2.5
105.07041	5.3
107.04951	0.9
107.08599	5.7
109.02948	1.5
109.06500	0.8
109.10165	5.7
110.10549	0.6
117.07018	1.8
119.08633	3.0
121.10162	2.9
122.38830	0.6
123.11742	2.1
127.03919	1.5
129.05498	1.0
131.08586	2.5
133.10106	3.6
134.10501	0.7
135.08130	0.8
135.11722	2.1
137.01324	0.6
145.10161	1.8
147.11751	1.9
149.09615	1.5
149.13289	1.7
157.10255	0.7
159.11748	1.5
173.13251	0.6
175.11223	0.7
193.12173	0.7
239.13628	0.6
243.08492	2.1
255.16042	0.7
257.19376	0.7
269.17548	1.9
270.17920	0.9
275.20148	2.0
299.15256	0.8
301.08865	0.9
313.17795	1.8
331.18890	6.0
335.25974	1.0
337.27432	5.2
338.24182	0.8
338.27457	3.1
349.23761	1.1
370.37756	0.6
396.12268	0.6
518.39185	1.5
519.29321	10.0
531.25659	1.6
531.40662	2.7
532.40802	5.3
549.26764	2.3
572.44379	0.8
591.31433	1.3
611.46625	0.9
612.47253	2.0
729.42206	3.1
809.48273	9.9
827.49152	100.0
828.49799	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	827.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04966	0.4
61.02638	0.6
61.02925	4.9
67.05508	6.7
68.05851	0.5
69.03431	2.4
69.07079	2.6
69.80297	2.2
71.01368	0.5
71.04980	0.8
71.08633	0.6
73.02928	3.6
79.05501	4.2
81.03423	1.7
81.07059	4.4
83.08621	1.3
85.02911	3.5
91.03957	2.7
91.05475	4.4
93.07049	4.9
95.04978	0.6
95.08615	3.1
97.02901	3.7
97.06545	0.5
99.04472	0.5
101.02400	1.2
102.83590	0.4
105.04554	0.4
105.07040	5.1
107.04960	1.0
107.08591	2.3
109.02882	0.6
109.10148	3.4
110.10491	0.4
115.03944	0.4
117.07038	0.9
119.08572	2.4
121.10184	1.3
123.11755	0.5
127.03898	1.2
129.05531	0.4
131.08598	1.6
133.10114	2.2
135.11687	0.7
143.08638	0.7
145.10201	0.9
147.11713	1.3
159.11702	0.8
161.13306	0.8
170.99585	0.4
173.11790	0.7
173.13269	0.6
185.04347	0.7
203.05235	0.6
229.14313	3.0
230.14885	1.1
243.08395	3.2
275.20129	0.8
276.74640	0.4
301.08987	1.7
306.38638	0.4
313.09039	0.5
313.27365	2.1
314.27774	1.6
315.10651	1.0
315.19379	4.0
319.47089	0.4
371.17212	0.5
371.21997	1.4
373.10995	0.6
396.16901	0.4
413.23062	0.6
465.21136	0.8
467.37497	1.3
468.37784	2.4
495.22198	1.2
533.27319	6.9
535.28790	6.5
605.29480	1.1
619.32068	0.4
827.49152	100.0
828.49268	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	826.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.7
65.03930	5.3
67.05507	91.9
69.03437	7.5
69.06725	2.4
69.07073	35.0
71.03235	2.2
71.03568	1.8
71.04980	5.9
71.08620	2.3
73.02935	2.9
79.05494	50.1
81.03438	7.6
81.07060	100.0
83.04984	11.0
83.08622	18.2
85.02891	7.1
85.06538	3.0
91.03941	1.8
91.05485	44.0
93.07043	57.9
94.07393	1.9
95.04971	8.3
95.08611	63.6
96.08932	2.0
96.76041	1.3
97.02888	6.2
97.06529	14.0
97.10179	8.9
99.04411	1.5
99.08086	4.8
105.04530	1.3
105.07034	32.4
107.04955	5.0
107.08596	30.4
109.06518	4.7
109.10154	25.9
111.04400	2.2
111.08077	3.9
113.09677	2.5
116.07097	1.7
117.07023	12.5
119.08586	22.8
121.06518	3.1
121.09303	2.2
121.10146	21.0
123.08060	4.9
123.11700	8.6
125.09621	4.3
127.03932	1.6
129.05519	2.0
129.06992	4.9
131.08575	17.1
133.10138	22.9
134.10440	1.7
135.08054	5.0
135.11696	13.6
137.09642	2.0
137.13246	2.7
143.08575	5.6
145.10117	12.2
147.11713	11.1
149.09599	5.2
149.13292	8.3
151.11198	2.3
155.08592	1.7
157.10155	5.4
159.11699	9.2
161.09671	1.8
161.13266	8.8
163.11179	3.7
163.14783	2.5
169.10088	1.9
171.11710	3.2
173.04445	2.3
173.13269	4.2
175.11168	2.3
175.14803	2.8
177.12779	3.4
177.16357	1.9
179.14198	1.6
183.11635	2.0
185.13304	2.8
187.14677	2.4
189.16293	2.3
195.13765	4.6
199.14841	1.9
203.14290	1.4
227.12796	3.1
229.14386	2.4
247.20624	1.5
255.15909	9.8
257.19025	5.1
263.23599	3.3
269.17499	24.1
275.20071	16.8
293.20947	3.2
299.14786	2.6
300.95090	1.7
309.20377	1.6
331.22742	2.0
335.25650	3.1
336.26111	2.5
337.27362	70.5
341.30563	2.5
349.23764	16.4
367.24551	2.2
413.21338	2.6
491.37097	2.2
517.38776	11.1
518.39026	2.0
519.29773	2.6
531.40424	60.7
532.40491	4.2
557.28424	1.6
565.40308	1.6
571.43408	6.1
611.46820	19.7
629.47137	4.3
631.45013	1.5
827.49115	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	2.5
61.02654	0.5
61.02926	7.0
61.97026	0.4
65.03928	0.7
67.05506	52.0
68.18398	0.4
69.03443	2.0
69.03751	0.4
69.07069	4.2
69.31008	0.4
70.18945	0.5
71.04967	1.8
71.08636	14.0
72.82869	0.4
73.02921	2.1
79.05478	1.0
81.03394	0.9
81.07061	12.2
83.08618	7.9
85.02442	0.7
85.02908	9.9
85.06562	1.9
85.09723	0.6
85.10187	7.9
89.06023	0.8
91.03958	6.0
91.05481	2.9
93.07047	2.2
94.91961	0.4
95.08612	11.0
95.23096	0.4
96.04523	0.4
97.02373	0.5
97.02890	6.1
97.10172	2.2
99.04395	0.5
103.03983	0.4
103.07557	0.8
107.08564	1.0
109.10159	51.0
110.10497	0.5
111.08065	2.2
111.11671	0.4
115.03933	0.6
117.09151	0.5
119.08601	3.7
123.11736	1.9
127.03930	3.0
137.09644	2.1
137.13278	0.9
145.04977	2.7
155.10661	4.6
163.06033	3.6
165.16333	0.5
173.10248	0.7
173.11745	15.5
229.14354	100.0
230.14713	1.7
239.23672	2.1
254.09995	0.4
257.24683	1.2
267.67642	0.4
277.87601	0.4
313.27365	74.3
314.27792	2.3
370.67731	0.5
467.37350	64.0
468.38037	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	826.4946
Annotation	Kulokekahilide 2
Peak:m/z	Relative Intensity
61.02928	5.3
65.03956	0.5
67.05509	14.4
67.18872	0.5
68.05037	2.1
69.03435	8.7
69.07071	3.2
70.02950	0.8
70.06596	7.6
70.28239	1.9
71.04997	92.7
73.02917	3.3
79.05496	14.6
80.05033	1.0
81.03424	4.2
81.07062	9.4
82.06586	1.0
83.04995	1.1
83.08638	2.5
84.08155	4.3
84.36288	0.6
85.02907	5.6
86.06073	5.9
87.04453	0.7
88.04005	4.4
91.04000	2.6
91.05482	6.3
91.05951	0.7
93.07046	9.8
94.06597	0.9
95.04974	2.5
95.08624	6.5
96.08142	10.3
97.02895	5.8
97.10176	4.7
98.06063	4.0
99.04497	0.9
100.07629	0.5
101.02403	1.0
103.67937	0.6
105.07037	3.6
106.06570	2.4
107.08611	6.2
109.02897	1.1
109.06546	0.7
109.10153	3.4
111.08104	2.4
112.07607	6.0
114.05564	1.4
117.07052	2.0
119.08584	2.9
121.10133	3.3
122.06033	0.6
123.11700	0.6
123.81048	0.5
124.07583	4.4
124.08255	0.4
125.09641	3.6
127.03933	1.5
129.06985	0.7
131.08611	1.3
133.10153	1.7
135.08107	2.4
135.11755	1.6
140.07088	0.9
141.07797	0.8
142.08661	7.3
145.10204	0.9
147.04546	0.6
147.08078	0.5
147.11742	1.0
153.09167	2.5
158.08144	11.6
158.09413	0.7
160.34085	0.5
161.13292	0.9
163.11305	1.0
170.08102	3.4
171.10144	0.7
173.13277	0.7
189.11319	2.3
202.10754	0.7
227.12807	3.6
261.22144	0.6
335.25739	6.0
628.41797	0.9
655.57654	0.6
664.44366	1.9
809.76385	0.6
826.49469	100.0
827.50049	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	826.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61588	0.4
61.02929	6.7
65.03944	0.7
67.05508	15.3
68.05037	1.0
69.03432	9.3
69.07067	4.0
70.02952	0.7
70.03786	0.4
70.06596	8.5
70.61687	1.1
71.01359	0.6
71.04994	100.0
72.04514	0.9
72.05343	0.7
72.08163	1.1
73.02917	3.8
75.04498	0.5
75.19268	0.4
79.05495	16.1
79.44565	0.4
80.05019	0.8
81.03417	3.4
81.07056	10.5
82.06581	1.0
83.01369	0.4
83.04981	1.2
83.08606	3.2
84.04501	0.5
84.08154	5.6
85.02906	5.9
86.06065	6.2
87.04474	1.0
88.03981	4.6
91.03953	2.2
91.05479	7.7
91.06009	0.6
93.07046	11.5
94.06605	1.0
95.04965	2.7
95.08601	6.7
96.08133	11.5
96.08768	0.6
97.02892	6.0
97.03451	0.7
97.06576	0.5
97.10177	4.7
98.06049	3.8
98.09696	0.5
99.04479	0.8
101.02402	1.5
102.05540	0.8
104.07118	0.6
105.04537	0.5
105.07044	4.2
106.06583	2.1
106.63430	0.4
107.05004	0.7
107.08595	7.6
109.02902	1.2
109.06530	1.0
109.10156	3.7
111.08105	1.5
112.07602	8.6
112.08344	0.6
114.05538	1.4
114.09200	0.7
116.07048	0.6
117.06994	2.0
119.08598	2.0
121.10152	2.9
122.06013	0.7
122.37051	0.4
123.11739	0.6
124.07596	5.5
125.09633	3.6
127.03929	1.2
129.05499	0.5
131.08606	1.8
132.08083	0.5
133.10153	1.3
135.08061	2.8
135.11734	1.8
136.60381	0.4
140.07115	1.3
141.07878	1.4
142.08643	7.5
145.10107	1.9
147.11723	0.9
149.13281	0.5
153.09125	2.3
158.08133	12.6
159.11777	0.5
161.13264	0.6
163.11212	0.9
163.14848	0.5
170.08125	4.1
173.13356	0.7
189.11209	2.1
202.10828	1.0
227.12770	3.3
235.11256	0.4
248.16510	1.0
261.22223	1.1
266.17709	0.5
267.81781	0.4
270.16840	0.4
276.16000	0.5
298.42584	0.3
335.25824	7.3
487.33679	0.5
505.34814	0.5
600.43121	0.6
602.40430	0.7
643.41907	0.5
646.43634	1.0
664.44232	2.1
826.49463	92.3
827.49823	6.4
829.01978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.495
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11987	0.6
61.02931	2.3
65.03938	0.7
67.05511	18.9
67.05872	1.0
68.05046	1.1
69.03438	38.3
69.07078	8.6
69.23824	3.4
69.24254	3.4
70.02962	2.2
70.06600	3.2
71.04984	1.6
72.04533	1.1
79.05502	8.1
80.05034	1.3
81.03435	3.5
81.07069	9.7
82.06590	3.2
83.04971	0.7
83.08639	2.1
84.04514	2.8
84.08155	18.0
85.02899	2.2
86.06082	4.4
87.04485	11.5
88.04009	3.5
91.03934	1.0
91.05489	6.9
93.07060	9.6
94.06561	3.1
95.04974	2.5
95.08623	6.8
95.50040	0.7
96.04497	1.3
96.08124	1.2
97.02917	1.2
97.06584	0.8
97.10221	0.7
98.06063	2.8
98.21512	1.5
102.05560	6.6
105.07039	3.3
107.04954	0.8
107.08583	3.4
109.10160	7.4
110.06068	1.5
112.07619	88.1
113.07942	1.0
114.05611	0.6
116.07112	1.0
117.07052	0.9
119.08604	2.4
120.06622	0.7
121.10160	2.8
122.09657	0.8
123.08102	0.7
131.08607	3.3
133.10107	1.6
135.11720	1.6
140.07082	100.0
141.07437	1.2
145.10175	1.6
147.11719	1.1
149.09637	2.2
158.08153	14.7
163.11188	2.4
173.11807	1.3
173.13240	0.9
174.07632	1.6
180.13840	1.5
190.12404	1.3
193.12218	1.1
208.13420	0.8
215.14911	0.7
229.14288	4.0
248.16653	0.8
261.22171	1.0
267.16125	1.5
276.16006	1.4
284.18567	1.0
294.17084	2.2
302.12326	1.3
312.18042	1.7
335.25769	6.9
368.20746	1.8
386.22089	1.4
467.37155	1.6
489.35553	2.6
620.41290	1.0
628.41748	2.0
646.43262	19.3
664.44250	30.9
665.44165	2.1
826.49127	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	1.0
65.03938	1.0
67.05510	15.1
68.05037	1.7
69.03436	35.8
69.07072	6.4
69.57524	3.3
70.02969	1.6
70.06602	3.1
71.04994	1.5
72.04523	1.6
72.13641	0.4
73.02943	0.5
76.22904	0.5
79.05508	6.9
80.05009	0.8
81.03423	2.6
81.07064	9.0
82.06595	3.5
83.04974	0.8
83.08624	1.6
84.04505	3.0
84.08150	17.4
85.02911	1.9
86.06083	3.0
87.04479	11.9
88.03999	2.3
91.05494	6.1
92.32423	0.5
93.07056	6.9
94.06589	3.4
95.04960	2.1
95.08616	7.2
96.04495	0.9
96.08141	1.0
97.02901	1.0
97.06559	0.7
97.10176	0.9
98.06077	2.7
98.09682	0.6
98.20748	0.9
102.05560	4.9
105.07038	3.5
106.74725	0.4
107.08612	3.5
108.04422	0.4
108.08134	0.6
109.10154	6.1
110.06047	0.6
112.07616	83.4
113.07953	1.6
116.07118	1.0
117.07022	0.9
119.08607	2.9
120.06516	0.5
121.10152	2.8
122.06067	0.7
123.04437	0.9
123.11680	0.7
124.07596	0.8
129.06981	0.7
130.08755	0.5
131.08586	1.4
133.10150	1.5
135.11716	1.7
138.09137	0.6
140.07077	100.0
141.07399	0.9
145.10127	1.5
147.11697	1.5
149.09636	2.0
149.13231	0.6
154.66849	0.5
158.08153	12.4
163.11205	1.4
173.11752	1.5
173.13162	0.7
174.07695	1.0
180.13890	1.4
190.12306	1.5
191.10626	0.6
193.12209	0.9
208.13295	1.0
229.12253	0.8
229.14346	4.4
243.20856	0.7
250.14485	0.8
255.15970	0.6
258.14801	0.6
261.22113	1.0
266.17651	1.0
267.15927	1.4
268.15546	0.5
276.15948	1.1
286.16470	0.5
294.16983	1.6
302.12344	1.0
312.18045	1.3
335.25784	6.2
342.19220	0.5
368.20602	1.3
386.21930	2.4
404.22717	2.1
489.35663	2.6
506.60388	0.5
527.37152	0.7
628.41754	2.0
646.43121	13.7
647.43353	1.1
664.44238	23.4
665.43958	1.4
754.72601	0.5
808.46973	1.5
826.49188	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.7
65.03934	4.0
66.77115	2.1
67.05508	58.2
69.03419	3.7
69.07082	16.4
69.92134	5.2
69.92531	5.0
71.04974	2.6
79.05063	3.6
79.05498	44.9
80.83910	1.9
81.03403	3.7
81.07061	37.9
83.05013	3.1
83.08629	9.5
85.02917	3.8
85.06544	3.2
91.05486	48.3
93.06482	3.4
93.07056	46.5
95.04964	7.0
95.08615	36.9
97.02871	3.2
97.06539	6.0
97.10156	5.1
98.20824	2.6
105.07037	48.2
107.08607	23.0
109.06493	2.8
109.10166	14.5
110.09666	2.3
115.07565	2.1
117.07025	22.4
119.08582	37.5
121.10161	16.8
123.11733	5.3
128.06209	2.5
129.07024	14.3
131.08569	22.9
133.10158	25.8
135.11734	11.0
135.65976	2.1
137.13237	1.9
139.11194	2.1
141.06993	7.7
142.07750	2.9
143.08569	20.7
145.10120	26.7
147.11707	17.4
148.15759	2.1
149.09599	2.7
149.13261	4.5
153.07013	2.8
155.08557	8.3
156.09305	2.7
157.10179	16.3
159.11722	18.8
161.13248	8.7
163.14813	3.1
167.08597	5.0
169.10175	14.4
171.11763	13.3
173.13274	10.8
175.14754	3.4
177.75230	2.1
181.10135	8.2
183.11769	15.1
185.13278	13.1
187.14867	4.6
189.16394	3.7
193.10197	3.3
195.11720	7.7
197.13333	11.7
199.14828	9.3
207.11656	3.3
209.13274	5.5
211.14825	8.5
213.16399	5.6
215.17914	2.2
217.15866	2.5
221.13382	3.1
223.14854	5.4
225.16420	3.9
229.14294	2.8
237.16388	4.6
239.17917	5.3
257.18979	5.7
259.20587	7.3
313.21460	2.3
322.25247	2.0
323.23575	2.8
331.22519	3.3
333.24228	4.5
335.25998	2.3
363.26843	2.6
373.36401	2.0
391.29904	2.7
419.29034	2.2
447.32047	3.1
465.34995	4.0
499.39047	4.0
501.34998	2.4
517.40393	9.7
529.37756	2.2
535.41467	6.1
539.37524	3.8
591.43970	10.5
609.45142	100.0
610.45337	7.9
771.49762	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	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34245	1.3
58.48690	1.2
61.02921	3.2
63.95779	1.3
65.03926	4.1
65.04946	1.3
66.04748	1.8
67.05508	95.5
69.03429	8.2
69.07068	28.6
69.24187	16.0
71.04983	5.3
73.04152	1.3
79.05495	71.8
81.03432	10.5
81.07059	100.0
83.04979	11.5
83.08623	14.6
85.02894	6.0
85.06548	4.7
91.05483	59.3
93.07048	80.6
93.60240	1.4
95.04972	10.7
95.08607	59.2
97.02888	5.4
97.06530	11.0
97.10151	5.2
99.08082	1.8
99.87994	1.3
104.38495	1.4
105.04474	2.0
105.07038	33.2
107.04946	4.9
107.08597	38.9
109.02860	3.5
109.06512	6.7
109.10152	23.5
111.04443	1.5
111.08070	5.7
115.05436	2.4
117.07020	17.1
119.08578	30.7
121.06506	3.3
121.10155	30.0
123.08068	4.2
123.11706	5.0
125.09617	4.0
127.03912	3.4
129.06969	4.8
131.08574	24.5
133.06432	1.9
133.10141	24.4
135.08057	3.4
135.11690	22.3
137.09596	4.0
137.13223	2.1
139.02614	1.3
143.08586	5.0
143.31609	1.4
145.04945	1.8
145.10127	17.0
147.08046	2.0
147.11696	11.6
149.09605	8.3
149.13268	14.0
151.11198	3.0
155.08551	2.9
157.10068	6.8
159.11694	14.4
161.13269	6.3
163.11180	5.7
163.14830	1.9
165.12811	1.6
171.11681	4.7
173.04567	2.2
173.13252	10.0
175.14767	3.2
177.12769	2.4
181.10239	1.7
181.12233	1.9
183.11705	2.5
183.93945	1.4
185.13264	3.5
187.14809	4.6
189.16414	2.0
195.13866	3.9
197.13321	1.6
200.71381	1.6
201.16397	1.5
211.14742	1.5
217.15927	3.1
227.12756	2.0
229.14301	1.7
229.19513	2.4
235.16963	1.9
239.17976	3.2
243.21207	1.6
255.15884	8.2
257.18961	5.6
259.20593	2.3
261.22208	11.7
269.17471	28.0
275.20035	23.8
291.19513	1.9
293.20972	3.5
309.20544	3.2
317.24741	2.7
331.22519	2.7
333.24124	2.4
335.25806	91.8
336.26166	2.4
349.23740	19.1
367.24759	4.9
401.49866	1.4
402.08157	1.5
515.37366	15.5
529.38922	61.6
530.39008	2.8
569.41785	8.3
609.45117	19.4
627.45764	4.6
720.16876	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	1.8
65.03938	5.7
66.76505	1.8
67.05509	87.4
69.03419	6.9
69.06736	1.8
69.07080	29.3
69.76654	6.7
69.77074	4.2
71.04982	5.8
79.05498	80.7
79.05965	4.4
81.03423	9.5
81.07063	91.8
83.04978	7.7
83.08617	16.6
85.02902	5.7
85.06550	4.7
91.05487	53.2
93.07050	75.7
95.04967	12.5
95.08613	62.9
97.02908	4.1
97.06544	10.9
97.10162	10.4
99.08061	3.1
101.71364	1.9
103.05479	2.5
105.07042	50.8
107.04967	7.6
107.08598	47.5
109.02908	2.1
109.06526	6.3
109.10162	24.2
111.08079	4.7
117.07024	19.3
118.58295	1.8
119.08587	31.5
121.06500	3.8
121.10149	31.2
123.08068	2.7
123.11720	8.1
125.09653	9.1
127.03903	5.7
129.06993	7.4
131.08577	29.1
133.06500	2.0
133.10146	27.4
135.08061	5.5
135.11717	20.6
137.09605	5.7
141.07053	2.9
143.08621	9.3
145.06485	2.2
145.10133	23.7
147.11691	17.2
149.09624	8.0
149.13258	10.8
151.11223	2.0
153.09100	2.3
155.08575	3.1
157.10194	8.8
159.11693	18.9
161.13275	8.1
163.11157	5.5
163.14906	2.0
165.12708	2.1
169.10100	4.5
171.10248	1.8
171.11722	6.0
173.11896	2.8
173.13283	13.8
175.14960	4.1
177.12759	4.1
183.11633	3.6
185.13257	6.8
187.14769	3.7
189.11212	5.0
195.11768	2.0
195.13765	4.0
197.13211	3.8
199.14813	3.8
203.14424	2.6
210.76974	1.8
219.17493	2.6
227.12755	9.3
229.14368	2.0
229.19476	2.7
239.17906	5.5
255.15942	8.2
257.19006	14.4
259.20569	4.5
261.22076	9.8
267.15872	2.4
269.17484	23.3
275.16977	2.5
275.20068	43.6
277.21750	2.4
293.21176	4.2
309.20572	2.6
317.24652	2.0
331.22876	2.3
335.25815	100.0
336.26154	2.4
349.23718	43.9
367.24777	6.4
389.17468	2.0
407.32266	1.8
489.35535	5.6
505.34854	3.7
515.37103	8.8
529.38934	19.8
597.54138	2.1
609.45178	45.6
610.45007	4.2
627.46069	5.2
777.42224	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	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03237	0.9
57.03443	9.7
57.07071	2.8
61.02916	2.4
65.03931	4.5
67.05509	94.5
69.03445	5.3
69.07073	22.2
69.52963	8.1
71.04990	6.7
77.03941	1.8
79.05498	69.0
81.03433	8.2
81.07062	90.8
83.04987	22.2
83.08633	9.8
85.02890	4.2
85.06545	7.2
85.27147	1.0
91.05487	70.8
93.07050	71.1
95.04986	12.9
95.08612	50.5
97.02887	3.7
97.06546	5.3
97.10178	2.7
98.20741	2.1
99.04446	2.5
99.08076	2.5
103.05489	3.0
105.04547	1.2
105.07038	59.2
105.97843	1.0
107.04979	6.5
107.07863	2.3
107.08603	55.7
109.06535	10.7
109.10164	61.3
111.04440	1.6
111.08086	3.1
113.06005	2.2
115.05447	1.8
117.07024	10.7
117.94924	1.3
119.08597	21.2
121.06517	6.5
121.10149	21.7
123.08051	5.0
123.11705	11.6
125.09637	2.1
127.07563	2.8
128.06209	1.4
129.07066	6.2
131.08580	19.0
133.06488	5.1
133.10139	73.8
135.08061	6.7
135.11713	15.9
137.09622	2.9
137.13193	1.5
139.07520	1.3
142.07817	1.3
143.08574	6.5
145.10127	14.4
147.08054	3.9
147.11696	10.3
149.09601	7.5
149.13277	6.0
151.11186	29.9
153.12668	1.3
155.08505	1.6
157.10118	3.9
159.11739	8.4
161.09662	7.5
161.13249	5.1
163.11188	2.7
163.14772	2.9
167.64442	1.3
169.12192	5.7
171.11681	4.4
173.13260	5.8
175.11208	3.6
175.14821	1.2
177.09148	1.4
177.12779	1.1
179.10648	2.7
185.13210	2.7
187.14842	3.2
203.14366	1.4
213.12741	1.2
215.12833	3.0
223.13237	1.3
227.17947	1.9
241.19603	1.1
243.21051	3.9
245.19096	3.6
251.12759	2.5
253.14374	91.3
255.17519	2.4
257.19174	1.6
259.20456	3.1
261.22122	13.4
263.20026	3.7
273.18530	21.7
275.20087	1.3
291.19589	22.1
309.20480	2.8
317.24826	1.7
333.24246	2.5
335.25815	100.0
336.26028	1.7
342.20966	1.4
347.22076	8.0
348.33640	1.2
365.23236	35.7
417.29926	1.4
439.32126	2.6
457.33298	1.5
513.36157	5.1
529.35071	3.1
531.36871	33.4
532.36877	1.3
567.79358	1.1
607.43250	5.6
611.46149	2.3
625.44659	60.1
626.44177	2.6
643.44849	1.3
725.96759	1.2
732.16101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	10.4
57.07072	3.9
59.00494	1.4
65.03943	4.6
67.05509	96.4
69.03423	6.5
69.07080	24.9
70.81385	3.2
70.81703	1.8
71.05005	7.1
77.03902	2.0
79.05497	62.3
81.03429	12.9
81.07063	100.0
83.04985	20.8
83.08613	11.5
85.02914	2.5
85.06544	5.9
91.05485	73.0
93.05082	1.6
93.07048	70.0
95.04979	16.4
95.08610	51.4
97.02854	1.8
97.06528	8.2
97.10155	4.8
99.08105	3.2
103.05443	3.2
105.04485	2.4
105.07035	60.0
107.04980	9.0
107.08600	49.0
109.06504	8.1
109.10162	58.3
111.04428	1.8
111.08078	5.6
111.61459	1.4
113.05994	1.7
115.05442	1.8
117.07031	13.2
119.08582	27.7
121.06532	10.0
121.10133	25.5
123.04364	1.7
123.08083	7.5
123.11714	11.1
125.09586	2.0
127.07536	2.3
128.06178	2.5
129.06998	6.7
131.08582	20.9
133.06468	4.8
133.10141	71.5
135.08052	10.9
135.11708	16.7
137.09657	4.2
139.11157	2.2
141.07013	2.1
142.07822	1.8
143.08562	6.7
145.06461	2.8
145.10118	14.3
147.08072	7.6
147.11676	9.8
149.09637	8.9
149.13292	4.9
151.11194	31.5
157.10173	4.6
159.08052	4.9
159.11688	7.3
161.09596	7.3
161.13264	5.3
163.11197	2.9
163.14888	1.7
165.09161	1.5
169.10188	2.1
169.12215	4.8
171.11700	5.1
173.09755	1.8
173.13258	5.3
175.11169	4.7
175.14786	1.5
177.09126	3.6
177.12755	2.6
179.10693	1.9
181.12279	1.8
183.11778	1.7
185.13229	3.6
187.14786	2.3
189.11235	1.5
189.12753	3.1
193.12141	1.9
199.14854	2.2
205.12260	2.1
207.13693	1.7
213.16339	1.6
215.12814	5.5
223.13150	2.0
231.13879	1.8
237.65149	1.5
243.21095	1.9
245.19151	6.9
251.12825	4.4
253.14360	82.6
254.14786	1.7
255.17485	4.3
259.20538	2.7
261.22131	13.4
263.20154	4.6
271.15372	4.6
273.18500	36.2
274.18692	1.7
286.62433	1.3
289.17935	1.9
291.19562	29.9
291.22711	1.0
309.20523	3.0
317.24857	2.2
333.24319	1.6
335.25836	69.7
347.22189	13.0
365.23251	52.3
366.23419	2.2
457.33319	2.7
513.35657	7.4
529.35254	2.5
531.36584	9.0
533.39764	1.9
607.44214	7.2
625.44702	69.0
626.44598	3.8
642.68896	1.6
643.45520	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	822.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.3
57.03665	1.8
57.07069	3.2
60.73931	2.0
65.03919	3.2
67.05505	48.0
69.03440	1.5
69.07074	33.6
71.04978	3.0
79.05492	48.3
81.03406	7.9
81.07058	61.2
83.04979	8.1
83.08606	8.6
85.06521	4.4
91.05484	76.8
93.07051	50.9
95.01336	9.0
95.04968	9.6
95.08611	35.3
97.06547	18.7
97.10152	3.9
98.48160	1.6
103.05482	3.6
103.06197	1.7
105.07034	100.0
107.04953	16.2
107.07959	2.6
107.08599	27.3
109.06509	4.9
109.10141	11.4
111.08083	2.7
117.07011	21.1
119.08584	58.6
121.06437	2.9
121.10153	15.5
123.08051	2.6
123.11678	2.1
125.09621	2.9
127.08640	1.8
129.06995	8.6
131.08571	31.4
133.10138	53.7
135.08118	2.6
135.11665	11.3
137.09625	3.1
139.07484	2.9
141.06931	3.8
143.08546	9.2
145.10130	23.7
147.11697	28.3
149.09599	6.8
149.13255	8.2
155.08578	2.3
157.10127	7.9
159.11707	18.1
161.13272	18.3
163.11220	4.8
163.14830	3.2
165.09039	3.0
169.10130	3.4
171.11673	7.6
173.13249	7.5
175.14763	7.3
176.16510	1.7
177.12689	4.9
179.14366	13.6
183.11664	4.3
185.13284	7.6
187.11206	3.2
187.14827	1.9
189.12599	1.9
199.14906	2.9
219.17429	3.6
231.21054	2.1
239.18134	4.1
241.19466	17.8
247.20642	2.5
257.19012	7.4
259.20560	25.1
275.20068	65.1
293.21243	3.9
315.23166	10.4
333.24255	52.8
334.24619	2.6
349.23712	47.8
483.34479	2.2
513.35547	2.5
515.39154	2.0
607.43567	95.4
608.43756	5.1
625.44232	9.7
734.78357	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	11.2
65.03929	2.9
67.05507	52.2
69.03444	9.7
69.07069	30.5
70.81023	3.2
71.05000	2.7
79.05495	42.2
81.03405	4.8
81.06580	2.9
81.07059	51.7
83.04990	4.6
83.08612	11.0
85.02902	1.5
91.05484	25.8
93.07047	35.4
95.04967	7.1
95.08047	2.4
95.08609	29.4
97.02894	8.5
97.06535	4.3
97.10168	12.0
104.91254	1.4
105.07040	16.5
107.04966	6.5
107.08592	23.3
109.06509	1.7
109.10160	17.3
111.08086	2.9
117.07014	8.5
119.08590	15.9
121.06532	3.6
121.10147	15.9
123.08047	3.2
123.11710	4.0
125.09624	8.5
129.07004	2.5
131.08551	12.0
133.06470	3.1
133.10136	9.8
135.08060	4.3
135.11684	8.8
137.09619	3.6
143.08571	3.7
145.10143	9.8
147.08044	5.7
147.11688	6.5
149.09665	1.7
149.13286	5.1
151.91083	1.2
157.10135	3.3
159.11710	4.2
161.09630	3.0
161.13271	4.1
163.11212	1.5
165.09120	1.7
171.11717	1.3
173.13318	3.0
177.12828	2.2
181.10136	1.6
184.66676	1.3
187.15033	1.5
189.11217	2.5
193.12410	1.2
195.13812	2.2
203.14272	1.5
223.13295	18.8
227.12802	4.6
243.21169	1.5
249.15021	1.9
261.22153	8.7
263.20102	2.5
273.18546	11.7
291.19559	100.0
317.24756	2.9
335.25800	89.6
336.25928	2.5
347.22086	1.8
365.23224	48.9
505.35596	1.6
545.38684	3.1
547.62708	1.5
607.43677	3.1
625.44684	90.9
626.44745	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	820.5992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
57.07078	61.0
59.05009	9.9
67.05507	4.3
69.03396	0.9
69.07066	3.5
70.06572	2.0
71.05013	1.2
71.08636	44.5
71.56980	1.1
73.02886	1.3
73.06561	6.6
79.05484	2.5
81.03419	1.2
81.07064	2.1
83.08608	1.9
83.54932	0.7
85.10184	36.1
87.04472	21.7
89.06035	100.0
90.56381	0.8
91.05466	2.5
91.07612	1.1
93.07056	2.6
95.08600	2.4
97.02872	0.9
97.06508	1.4
97.10160	1.5
99.11742	6.5
103.07582	6.0
105.07024	3.2
107.04902	0.8
107.07049	2.9
107.08615	1.9
109.10149	1.4
113.13287	1.7
117.09132	5.2
119.08588	2.0
121.10090	1.0
125.51665	0.8
130.08647	3.0
131.07063	8.5
133.08606	67.8
133.10191	1.8
136.44485	0.9
140.42128	0.8
143.08585	0.9
147.11629	1.0
155.17949	2.9
159.10190	0.9
161.11784	1.8
175.09673	4.7
177.11240	28.7
182.85178	0.9
213.22153	3.2
217.15672	1.1
219.12242	1.5
221.13828	5.2
222.80377	0.9
223.15405	1.5
239.14922	1.6
257.24634	3.9
265.16312	1.2
283.17520	1.9
291.19528	3.3
292.19730	0.9
327.19861	1.2
333.24323	0.9
371.22769	1.2
591.35876	4.2
638.52374	1.0
803.56348	1.1
820.58655	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	820.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	97.0
59.05004	31.9
63.88226	1.2
66.08945	1.2
67.05519	2.4
69.07061	3.3
69.49268	8.0
70.06602	2.5
71.08636	95.9
73.06560	3.0
81.07059	2.4
83.08608	3.5
85.02859	1.1
85.10188	94.6
87.04473	19.2
89.06037	100.0
95.08601	1.5
97.10186	2.5
97.18588	1.4
99.11736	10.9
101.09641	2.0
107.07082	2.8
112.06213	1.2
117.09130	7.2
121.10184	1.2
124.96171	1.3
130.08688	2.7
131.07034	7.4
133.08609	83.4
141.16396	11.9
175.09671	4.6
177.11246	27.2
198.20526	1.3
199.20592	23.1
202.08444	1.2
219.12349	2.4
221.13924	6.7
239.14706	1.6
240.23386	1.8
257.24805	10.9
283.17538	2.8
547.33020	7.9
820.59711	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	820.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	22.9
59.06075	21.8
67.05492	60.9
79.05494	36.9
81.07059	67.4
91.05486	21.5
93.07018	31.6
95.08612	32.3
101.07166	31.6
104.47497	18.3
109.10191	25.0
120.65200	16.5
131.08687	16.7
144.20236	19.0
174.86049	17.0
212.73647	16.4
252.05743	18.9
261.22220	21.4
277.28052	22.3
312.75000	18.7
335.25790	100.0
337.26932	23.8
343.23996	17.8
512.33966	19.5
675.34137	19.1
687.58197	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	820.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.3
57.07080	3.1
61.28497	1.6
65.03938	1.5
67.05510	27.8
69.03409	2.3
69.07072	25.6
69.22455	17.2
78.33293	1.5
79.04794	1.7
79.05504	25.8
81.03423	6.5
81.07066	37.3
83.04980	5.7
83.08624	6.7
85.10165	2.3
85.38960	1.5
87.04463	2.5
91.04977	2.7
91.05493	36.7
93.07050	25.3
95.01327	9.9
95.04965	6.6
95.08612	19.1
97.05914	2.5
97.06542	45.2
97.10162	2.6
98.20663	3.1
105.07039	54.6
107.04969	14.5
107.08613	12.4
109.06539	2.8
109.10175	8.2
111.08116	2.6
117.07013	11.8
117.71696	1.5
119.08582	25.0
121.06484	3.5
121.10154	5.5
123.04422	2.2
123.08102	2.6
124.91399	1.3
125.09637	3.0
126.22050	1.6
129.06995	2.7
131.08577	13.5
133.10136	29.1
135.08026	3.8
135.09486	1.6
135.11710	6.2
139.07594	2.3
141.06975	2.0
143.08627	2.8
145.10143	12.3
147.11693	13.0
149.09644	6.1
149.13321	2.1
151.11267	2.3
155.08615	2.2
157.10068	2.0
159.11711	9.6
161.13264	4.6
163.11163	5.6
165.09085	1.7
169.10118	1.8
173.13284	2.7
177.12764	5.5
178.45197	1.4
179.14320	10.6
183.11754	2.4
187.11137	1.8
219.17493	3.9
233.15529	1.6
247.20763	1.9
257.19009	4.9
275.20074	73.5
276.20551	2.0
293.21069	5.1
349.23730	47.7
388.25140	1.6
473.20364	1.7
623.43073	100.0
624.43079	6.0
641.43695	2.5
652.06018	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.0
67.05511	34.0
69.07073	11.2
71.00832	3.4
74.09762	2.0
74.76877	2.8
76.82061	2.5
79.05497	24.6
81.07062	42.2
83.08622	7.0
85.69718	2.3
86.84309	2.4
91.05476	15.3
93.07065	28.4
95.04957	3.7
95.08608	29.2
97.06543	3.4
105.07036	12.8
107.08612	15.4
109.10162	12.6
117.07006	2.8
118.05425	2.1
119.08592	9.7
121.10142	16.4
123.11700	4.1
123.98846	2.6
131.08565	9.1
133.10136	10.8
135.11754	11.3
145.10144	8.4
147.11696	9.1
149.13287	10.6
159.11763	7.6
161.13287	8.9
163.14835	3.7
173.13281	9.8
217.45041	2.5
219.55318	2.9
241.19661	2.8
243.21092	5.2
259.20587	7.9
261.22159	17.2
311.08331	2.6
333.24176	3.8
335.25815	100.0
336.26181	3.3
337.27371	9.6
450.55338	2.7
484.10251	2.5
521.43323	2.5
537.26440	2.4
595.46863	13.3
613.48608	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	813.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.9
61.02935	6.3
67.05509	5.4
69.03419	2.9
69.07059	1.2
69.75965	0.7
71.56278	1.2
73.02919	3.5
79.05491	4.9
81.03434	1.4
81.07053	4.7
83.08636	0.8
85.02891	4.4
87.04449	0.9
91.03950	2.9
91.05479	3.7
93.07047	4.7
95.08615	3.8
97.02894	5.0
99.04471	0.9
101.02409	1.5
105.07044	2.7
107.08619	2.0
109.02905	1.2
109.10180	1.5
117.07009	1.0
119.08610	1.9
121.10148	1.6
127.03895	2.0
131.08528	0.9
133.10135	2.0
135.11694	1.5
145.10164	1.1
147.11699	0.8
173.13254	0.8
182.96086	0.7
203.05467	1.0
229.64545	0.9
243.08487	2.4
248.60896	0.7
301.09247	1.2
341.37384	0.7
392.27847	0.7
395.94217	0.8
519.29297	10.1
520.30298	0.9
535.28644	3.6
813.51129	100.0
814.51831	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	811.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53953	1.2
74.02428	0.5
91.05541	0.9
91.53606	0.3
98.04494	0.3
98.21461	0.4
108.95065	0.3
115.05437	0.9
117.05758	0.7
117.07025	0.9
118.06552	19.5
130.06552	1.3
132.08086	5.5
142.06532	1.7
143.07278	2.4
144.04443	0.5
144.07196	0.3
144.08096	12.9
146.06020	63.5
147.06285	0.6
159.09187	5.4
160.07600	1.0
170.06018	5.0
188.07077	100.0
189.07385	2.2
205.09735	45.6
206.10051	0.7
219.99352	0.3
247.13229	0.4
265.14352	1.8
539.26556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	11.8
57.07075	4.6
65.03940	5.6
65.17034	3.7
67.05508	94.8
68.27720	3.5
69.07075	24.0
70.09035	4.2
70.09374	14.5
71.04986	4.9
79.05499	81.5
81.06583	5.0
81.07059	95.7
83.08624	14.3
85.02892	3.9
85.06567	4.8
91.04967	5.4
91.05488	70.2
93.07047	100.0
95.04949	7.4
95.08610	70.2
97.06512	8.4
103.05441	6.9
105.07031	73.4
107.08602	44.8
109.06579	4.8
109.10136	20.8
117.07021	23.1
119.08584	56.7
120.45393	3.8
121.10146	35.2
123.11724	7.7
129.07005	13.7
131.08575	41.6
133.10136	43.7
135.11745	23.1
143.08556	13.5
143.28407	3.3
145.10109	27.4
147.11694	47.8
149.13258	8.4
150.19829	3.4
157.10063	10.3
159.11693	31.2
161.13283	33.6
163.14761	5.9
171.11674	19.4
173.13263	19.3
175.11185	4.3
175.14793	12.3
185.13248	10.0
187.14903	8.0
197.13286	4.0
199.14876	7.0
231.21086	6.1
241.19543	25.6
242.60873	3.8
259.20578	63.7
261.22220	9.8
315.23151	8.9
333.24197	44.6
335.22000	7.7
335.25800	95.8
373.36426	3.8
593.45575	5.9
611.46674	50.8
677.47290	4.0
798.15308	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	808.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64787	4.7
57.03426	12.9
57.07091	6.3
65.03957	5.6
67.05509	71.9
69.03424	13.5
69.07081	27.6
69.31171	11.7
69.31583	34.2
71.04978	5.1
79.05495	81.6
81.03421	13.9
81.07068	81.5
83.04955	4.7
83.08613	16.3
85.02908	13.9
85.06566	8.2
88.48671	4.3
91.05492	68.0
93.06479	5.8
93.07047	100.0
95.04970	13.4
95.08614	57.9
97.10172	8.9
98.21522	10.2
103.12356	5.2
105.07045	65.6
107.08605	52.8
108.51515	4.8
109.02869	4.4
109.06538	4.7
109.10148	27.8
109.81773	4.2
117.07021	26.4
119.08606	65.7
121.10166	55.4
123.11682	9.3
129.06995	14.0
130.19876	5.4
131.08591	33.6
133.10146	41.5
135.11682	29.1
143.08569	13.8
145.10162	26.5
147.11667	29.7
149.09631	5.3
149.13252	14.4
153.09129	4.7
155.08533	7.0
157.10155	12.6
159.11722	26.7
161.13274	28.7
163.14816	6.0
166.38660	4.4
169.10062	7.8
171.11682	14.6
173.13252	17.3
175.14886	8.1
185.13286	8.5
187.14798	7.3
189.12799	5.5
197.13205	7.1
199.14798	11.4
210.42937	5.2
241.19513	21.7
259.20609	50.7
261.22174	9.8
277.21515	7.4
289.21799	5.3
333.24374	13.5
335.25784	13.4
351.25406	42.8
363.25375	8.0
367.22739	11.2
369.23965	4.9
375.25296	7.6
385.23721	8.9
387.25064	9.3
403.25101	6.5
405.26202	7.9
421.97009	5.1
441.26178	14.7
459.27283	7.3
755.49725	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	806.5833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
57.07081	45.0
59.05005	13.8
62.45940	0.7
62.65072	0.7
64.22195	0.7
67.05499	2.7
69.03423	1.2
69.07067	2.0
70.06594	1.3
71.08638	46.5
71.55840	0.7
73.02911	2.8
73.06561	5.0
76.15670	0.7
79.05495	1.6
81.07050	1.2
83.08604	1.4
85.10189	40.8
87.04472	18.7
89.06037	100.0
90.06315	0.8
91.05474	1.1
91.07572	1.2
93.07029	1.4
95.08620	1.4
99.11729	3.8
103.07590	5.5
105.07059	1.7
107.07073	2.4
107.08612	1.2
113.05997	0.8
117.09155	4.9
119.08605	1.8
120.21967	0.8
130.08665	2.9
131.07056	6.6
133.08614	67.4
135.10144	0.9
141.16400	2.5
147.06210	0.8
149.80756	0.7
151.09656	0.9
161.11761	1.1
175.09691	5.8
175.10948	1.0
177.11246	25.7
199.20601	2.8
212.65428	0.7
219.12260	1.9
221.13890	4.0
233.32785	0.7
243.23193	3.4
265.16718	0.9
267.61615	0.9
283.17572	2.6
309.19293	1.1
327.20016	1.7
337.68845	0.8
340.23773	0.9
346.77783	0.8
353.21857	1.2
591.35706	3.9
806.57642	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	806.578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.8
61.02928	3.1
66.96735	1.9
67.05507	22.0
68.49052	1.9
69.07076	6.0
69.86901	9.6
79.05492	15.0
81.07065	26.9
83.08610	2.5
85.02924	2.7
89.82599	2.0
91.05493	7.3
93.07056	24.0
95.08614	25.7
105.07041	9.6
107.08605	9.4
109.10186	10.2
119.08578	7.1
121.10171	10.2
123.11684	3.0
131.08582	6.6
133.10139	8.3
135.11687	9.4
139.94304	2.2
145.10158	4.7
147.11711	3.7
148.69643	2.5
149.13286	5.2
159.11684	5.0
161.13191	3.5
163.14767	4.8
169.28746	2.2
173.13245	4.7
175.14871	2.4
201.02205	2.4
243.21135	3.5
259.20627	4.8
261.22168	17.1
302.22934	2.2
317.24652	2.8
333.24216	2.8
335.25821	100.0
337.27335	5.2
520.44318	2.3
579.27740	2.3
595.47198	10.6
613.48169	5.0
692.98047	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	805.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	18.6
57.06875	2.8
57.07080	38.6
58.07409	4.0
59.05001	9.1
65.03941	10.0
67.05511	71.8
69.03437	5.5
69.07068	13.7
69.46887	6.4
69.47237	27.5
71.05006	4.9
71.08638	30.0
71.65952	3.2
79.05499	50.4
81.03400	4.4
81.07061	48.4
83.05008	4.0
83.08600	4.2
83.49871	3.1
85.06541	12.0
85.10185	26.1
89.06024	16.3
91.05494	39.1
93.07057	38.9
95.04983	59.8
95.08614	23.8
97.06546	9.7
97.10169	4.0
98.21470	7.0
99.11739	4.4
100.53817	3.0
105.07034	23.6
107.04951	8.4
107.08620	20.2
109.06531	52.0
109.10164	10.3
111.08071	4.3
113.06011	23.4
117.07018	13.6
119.08578	17.6
121.06520	8.0
121.10166	13.9
123.08052	4.0
126.27782	3.1
129.07019	8.0
131.08592	16.8
133.06538	4.5
133.08604	16.1
133.10150	16.0
135.08076	40.9
135.11707	10.3
143.08600	5.8
145.06390	3.3
145.10164	8.3
147.08046	8.6
147.11722	5.7
149.13258	6.3
157.10129	6.3
159.11734	7.8
161.09628	6.5
171.11668	5.5
173.13252	4.0
177.11298	4.8
177.12697	4.7
186.79433	3.8
213.22183	5.0
217.15919	10.8
255.17448	5.1
271.26254	3.7
273.18524	30.5
291.19562	100.0
335.25809	77.7
347.22104	10.5
365.23218	16.9
372.22357	3.8
567.40814	4.4
607.43439	10.9
625.44763	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	806.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	20.8
61.02921	6.9
67.05511	100.0
69.03420	15.7
69.07078	49.2
70.06596	14.0
70.43534	19.4
71.04991	17.0
72.08144	13.8
79.05495	76.2
81.03426	97.1
81.07066	96.1
81.45191	6.9
82.54753	6.7
83.04980	22.7
83.08613	53.6
85.02931	17.6
91.05481	81.8
93.07050	66.9
95.04971	35.6
95.08615	42.5
97.02901	21.4
97.06541	19.8
97.10182	41.3
105.07020	61.9
107.04980	19.6
107.08595	56.6
109.06510	10.1
109.10134	32.9
111.08060	12.3
115.05505	7.1
117.07020	11.9
119.08582	39.4
121.06494	15.9
121.10149	31.9
123.08056	6.9
123.11743	7.4
125.09652	30.4
129.07045	20.3
131.08588	32.9
133.10168	35.8
135.11693	21.8
137.06010	10.3
137.09662	15.4
142.07854	7.6
143.08548	11.4
145.10159	27.1
147.08101	13.1
147.11707	21.2
149.09637	23.1
149.13313	13.5
153.09093	8.1
155.08664	9.4
157.10146	15.9
159.07988	8.1
159.11732	16.7
160.89822	6.7
161.13222	8.5
163.11230	8.1
169.10135	7.4
171.11646	8.0
173.13222	7.2
175.11270	6.8
175.99661	6.5
180.68440	6.5
193.12273	26.6
211.13322	7.7
227.12805	27.3
229.14290	14.8
249.14905	8.2
257.19055	12.1
267.15912	79.8
269.17490	21.1
273.18402	9.9
275.20148	35.7
291.19611	29.3
349.23788	35.2
367.24634	9.5
447.27533	19.2
461.28949	66.4
467.31842	10.0
488.77408	6.9
519.33160	9.3
541.35229	47.7
559.35968	27.9
603.97113	7.5
659.16333	8.8
690.60583	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	803.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	25.2
57.07064	2.9
61.02923	9.3
65.03933	6.8
67.05510	100.0
69.03442	4.6
69.07076	22.2
70.06586	5.2
71.04995	7.8
73.02910	3.9
73.99348	3.0
79.05500	70.5
81.03426	17.3
81.06586	4.3
81.07067	74.0
83.04986	8.1
83.08624	9.3
85.02912	12.1
85.06542	16.0
91.03976	3.9
91.05487	70.9
93.07051	75.7
95.04976	65.5
95.08611	49.0
97.02899	7.3
97.06551	9.4
97.10176	5.2
98.20731	9.0
103.05452	4.4
105.04529	3.1
105.07038	61.1
107.04975	20.2
107.08607	39.0
109.06525	57.0
109.10162	13.4
111.08076	5.5
113.06022	39.4
115.05439	5.5
117.07038	33.5
119.08591	45.0
121.06525	12.4
121.10161	22.9
123.08072	10.7
123.11742	3.7
125.09644	6.2
127.03911	3.1
128.06259	7.5
129.07019	21.0
131.08580	44.6
133.06508	8.3
133.10141	30.2
135.08063	46.6
135.11720	17.4
137.09622	4.8
141.06966	5.8
142.07756	3.8
143.08554	23.9
145.06487	8.2
145.10146	37.1
147.04436	5.3
147.08064	8.2
147.11719	18.8
148.39693	2.8
149.09605	7.4
149.13278	6.6
155.08531	6.4
157.10158	16.4
159.08076	5.8
159.11678	28.6
161.09622	11.8
161.13264	10.3
163.11227	7.1
167.08574	4.1
169.10213	8.1
171.11678	13.4
173.09686	4.0
173.13290	12.2
175.11305	7.2
175.14824	4.5
177.12782	7.2
179.14417	3.6
181.10208	3.8
183.11732	7.1
185.13280	6.9
187.11191	7.9
187.14838	3.6
195.11697	3.8
197.13254	5.7
199.14833	7.1
201.12802	4.8
201.16341	4.7
209.13298	3.9
211.14886	4.1
217.15926	11.1
225.16478	3.8
229.65346	4.2
237.16577	3.5
241.14418	4.2
241.19540	7.2
255.17508	3.7
257.19006	3.8
259.20621	16.8
260.90012	3.2
273.18533	28.0
275.20126	4.3
279.15887	22.9
291.19547	63.0
292.19910	4.5
315.23184	4.1
327.26743	6.6
333.24356	31.0
347.22205	10.9
349.23813	3.2
365.23135	21.8
395.69821	3.0
492.41318	3.1
513.37024	5.4
531.38257	5.1
605.41718	16.8
623.33325	5.6
623.43079	91.6
624.43274	7.9
641.44342	27.0
642.45099	4.3
803.48950	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	804.604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	3.5
57.07079	100.0
59.05005	35.8
67.05504	6.8
69.03459	1.3
69.07049	1.9
71.08634	75.2
71.56091	2.0
73.06538	2.4
79.05505	2.5
81.07056	5.3
81.42130	1.3
83.08609	2.5
85.10185	68.5
87.04473	10.4
89.06036	51.0
90.01934	1.8
91.05470	3.9
93.07035	4.6
93.25661	1.4
95.04955	4.7
95.08634	2.9
97.10191	2.2
99.11729	12.0
101.09666	2.8
105.07018	2.6
107.07053	2.7
109.06541	2.9
113.06023	2.2
113.13293	3.6
117.09142	13.4
119.08604	2.1
126.76102	1.4
131.07007	3.3
133.08612	37.3
135.08057	2.5
145.10037	1.5
155.17982	8.4
175.09596	2.3
177.11241	17.2
183.04527	1.4
189.50346	1.7
191.12807	1.7
213.22150	18.2
271.26370	19.8
281.83450	1.4
291.19586	8.0
335.25818	3.5
459.27969	6.2
529.13733	1.4
529.24310	1.5
625.44031	4.1
804.59021	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	801.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63721	0.4
63.02360	0.9
63.79508	0.4
63.99906	0.4
65.03925	0.6
67.05509	4.8
67.59471	0.4
69.03402	1.7
69.07073	5.7
69.26937	3.9
70.06586	2.5
71.04987	0.5
72.08150	0.8
77.03906	0.4
79.05501	4.2
81.03382	1.1
81.07056	5.0
83.01321	1.6
83.04943	0.6
83.08603	1.3
84.08149	0.7
85.02895	0.8
86.09697	0.5
89.03220	0.7
89.03899	15.7
91.05493	2.3
93.07048	3.6
95.01327	1.2
95.04969	2.4
95.08608	3.9
97.02878	1.3
97.06536	0.9
97.10171	11.1
97.77219	0.4
99.00816	4.3
99.04456	2.6
99.08104	0.5
103.05442	0.5
105.07026	3.2
107.04969	4.2
107.08600	3.3
109.02840	1.0
109.06509	1.6
109.10158	5.4
110.10538	0.4
111.11713	0.8
113.02335	1.4
115.05372	0.4
117.01913	0.8
117.03379	13.8
117.07011	0.8
119.04948	0.9
119.08595	2.6
121.06563	0.8
121.10145	2.1
123.04405	0.7
123.08023	0.7
123.11654	0.6
125.05991	0.6
125.09602	1.8
127.03959	0.7
129.07008	0.9
130.07808	0.4
131.08585	0.6
133.06564	0.9
133.10141	2.5
135.04422	26.9
135.08028	1.0
135.11671	1.1
137.05988	1.6
137.09593	1.1
139.07536	0.9
139.11177	1.4
143.08466	0.6
143.10672	0.8
145.02850	16.7
145.10141	1.9
147.04448	1.0
147.08075	0.5
147.11691	1.1
149.02328	1.8
149.05971	1.3
149.09583	0.8
151.07570	2.1
153.05467	3.2
155.07034	1.0
157.06497	0.6
157.10124	0.7
159.07977	0.6
159.11751	0.9
161.06013	2.6
161.09612	0.7
161.13280	0.5
163.03911	100.0
163.07573	1.7
164.04211	1.4
165.09151	1.7
167.07011	0.7
169.04958	0.4
171.08107	0.8
171.11638	0.4
173.09673	0.6
175.07521	2.9
177.05504	2.4
177.09105	1.4
177.12830	0.5
179.07065	0.7
179.10646	0.7
181.04959	8.1
183.06502	2.8
186.05516	0.5
188.08279	0.5
189.09151	4.9
191.07076	1.2
191.10628	0.6
195.04733	0.8
195.06540	17.1
199.11276	0.4
203.10670	1.6
205.08629	1.1
207.06534	1.6
209.08084	8.7
210.08305	0.4
217.08609	0.4
219.06714	0.4
219.10114	1.0
221.08089	4.3
223.09665	11.1
227.14330	0.4
231.13832	0.5
235.09656	2.3
235.16827	0.6
237.11177	5.4
237.13411	0.5
247.09619	0.5
249.11342	3.9
251.12772	0.8
259.16876	0.6
261.11340	0.6
263.12741	1.9
285.07684	0.8
289.14316	0.7
291.15921	2.4
295.04556	1.9
303.15964	1.6
305.17474	5.7
307.19064	1.4
315.16043	1.6
319.19070	3.6
328.74371	0.5
333.16934	2.9
347.18619	0.5
443.28107	0.9
453.26456	0.5
471.27603	2.4
489.28513	22.0
490.28891	1.0
507.29410	2.3
549.30731	0.5
603.27667	0.7
612.23547	0.5
621.28973	6.2
639.30109	44.9
640.29956	2.3
783.31964	1.2
801.33289	30.3
802.33459	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	800.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83180	0.4
57.03432	0.8
61.02932	1.4
65.03952	1.9
67.05512	2.1
68.99789	4.0
69.03428	4.7
69.07074	6.7
70.06610	0.6
71.55827	0.4
72.08156	0.8
73.02919	1.1
75.79189	0.4
77.03932	0.7
77.27599	0.4
79.05502	3.5
81.03413	4.2
81.07066	2.0
84.08037	0.4
85.02909	8.8
87.00823	2.7
91.05490	5.7
93.03410	0.5
93.07040	1.5
94.04202	0.6
95.04965	3.8
95.08604	0.8
97.02899	3.5
99.04450	1.6
102.04688	0.8
103.05473	34.9
105.01859	1.9
105.03421	0.7
105.07032	4.9
106.04243	0.6
107.04943	2.8
109.02908	2.9
109.06509	1.4
110.03675	0.8
111.04465	0.5
115.05452	1.0
117.01891	0.8
117.07050	0.8
119.04190	0.8
119.04951	5.8
119.08569	0.7
121.06505	2.0
122.03657	1.5
123.04431	25.2
124.05232	0.7
125.06005	1.5
127.03922	4.2
128.06244	0.7
129.01843	1.3
129.06993	0.6
130.04153	1.7
131.04935	95.4
132.05341	1.6
133.02855	4.0
133.06505	5.1
135.04419	8.1
135.08044	0.7
136.05148	0.8
137.05981	38.4
138.03122	7.9
141.07007	0.6
143.08632	0.6
145.04945	2.1
145.06467	1.6
145.10159	0.6
146.03667	0.6
147.04414	14.7
147.08055	0.6
149.02344	2.1
149.06001	8.1
150.06778	2.7
151.03911	1.8
151.07539	8.3
153.05470	100.0
159.02905	1.5
159.04395	2.5
159.08093	1.0
160.05205	1.1
161.05992	13.5
162.03059	0.5
162.06761	9.9
163.03912	1.4
163.07552	55.0
164.04710	4.8
165.05484	6.5
165.06966	1.5
167.07077	0.7
169.06477	1.1
171.02983	0.5
171.04382	1.0
171.08076	0.8
173.05992	2.3
173.09648	1.1
174.06786	0.6
175.07542	3.6
177.05490	6.6
177.09061	0.9
179.07030	4.2
179.08447	0.9
181.06427	1.4
181.08591	0.8
183.08038	1.8
185.05986	0.6
187.07541	1.1
188.08360	0.5
189.05460	1.6
189.09093	2.8
191.06978	1.5
191.10672	14.0
193.06491	0.5
195.08017	0.8
197.05949	1.9
197.09593	0.7
198.06717	0.7
199.07524	0.8
200.08478	0.6
201.05417	0.8
201.09184	0.9
202.09909	0.6
203.07007	1.1
203.10683	2.2
207.08153	0.6
211.07579	3.5
213.05534	0.6
213.09100	1.5
215.07132	0.7
215.10696	3.4
217.12071	0.6
219.10204	0.5
221.05971	1.3
221.11696	0.9
223.07513	1.3
225.09038	1.9
227.07056	0.9
229.12236	1.0
233.11716	1.6
235.07486	0.9
237.09059	0.6
238.06258	0.6
239.07077	3.3
243.06601	0.9
245.08060	0.7
250.06291	0.6
251.06976	1.8
253.08632	2.6
255.06523	0.7
255.10066	0.8
257.07932	0.8
257.11728	1.8
263.06836	1.1
265.08533	0.9
267.06555	2.3
267.10114	0.7
268.07388	0.6
269.08182	1.1
270.08463	0.5
271.09570	1.6
279.10086	0.5
281.08026	1.8
283.09653	3.2
284.06705	1.2
285.07559	2.5
285.11145	6.6
287.09048	1.8
295.09555	2.2
297.11240	4.3
299.09164	16.5
299.12427	1.0
301.10703	6.7
309.11151	2.0
313.10684	4.1
315.12247	1.0
323.09058	0.9
325.10812	2.2
327.12363	1.0
329.10608	0.5
331.11746	0.6
339.12036	0.6
341.10123	0.9
353.10141	0.8
353.13983	0.6
355.15390	14.4
367.15427	1.2
379.10873	0.6
379.15369	1.5
397.16318	0.7
409.19351	0.5
417.13226	0.9
421.16653	2.8
429.12958	0.5
449.09940	0.9
449.15964	14.8
450.16211	0.7
461.15924	10.9
473.15799	1.7
476.80435	0.5
479.17029	53.1
480.17593	2.6
485.15579	0.8
491.16663	1.6
503.17050	3.5
505.22446	0.7
511.11795	1.0
515.16376	1.4
517.22809	0.6
521.17554	1.9
527.16632	1.7
529.12958	0.7
545.17621	2.3
557.18323	1.2
569.17432	0.9
587.18567	1.8
614.81769	0.5
625.23560	0.5
661.17682	0.6
691.19073	1.6
709.20758	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.4
65.03937	1.1
67.05502	1.6
68.50140	0.7
68.99796	3.8
69.03434	3.5
69.07076	7.6
70.06591	1.4
71.55572	1.0
72.08181	0.8
73.02898	0.7
79.05496	3.9
80.02613	0.7
81.03428	4.2
81.07069	1.8
85.02914	7.1
87.00831	3.0
91.05496	4.0
93.03426	0.8
93.07050	1.4
94.04179	0.9
95.04983	3.6
97.02938	3.7
99.04436	1.1
103.05478	36.0
103.55313	0.7
105.01866	1.3
105.03429	0.7
105.07056	4.3
107.04951	3.0
107.08623	0.8
109.02866	2.9
109.06525	1.7
110.03687	1.0
115.05460	1.3
119.04955	5.8
121.06511	1.4
122.03674	1.9
123.04438	20.6
123.08037	0.7
125.06000	1.8
126.07580	0.7
127.03936	2.9
128.07079	0.9
129.07076	0.7
130.04153	1.0
131.04939	100.0
132.05228	1.6
133.02852	4.0
133.06490	3.2
135.04419	6.6
136.05244	0.7
137.05989	35.4
138.03140	7.3
145.04971	0.9
145.06445	1.0
145.10204	1.1
147.04419	11.5
148.05284	0.7
149.02344	1.2
149.05991	8.4
150.06767	2.2
151.03964	1.9
151.07578	5.6
153.05478	86.6
154.05876	1.3
159.02908	2.0
159.04391	1.3
159.07936	0.8
160.05276	1.0
161.06013	11.2
162.06805	7.4
163.03896	1.5
163.07556	58.8
164.04735	3.8
164.07950	1.1
165.05487	4.3
165.06825	0.9
167.07103	0.9
169.06523	0.8
169.10175	0.8
173.06052	1.9
173.09564	1.6
175.07579	3.9
177.05469	7.9
179.07050	3.4
181.06589	1.0
183.08150	0.9
185.06047	1.5
186.06837	0.8
187.07588	1.1
189.05473	1.2
189.09119	2.0
191.07051	1.8
191.10690	11.7
193.05019	0.9
195.08047	0.9
197.05965	1.2
199.07588	1.3
201.05588	0.7
201.09117	0.9
203.07056	0.8
203.10641	1.8
211.07628	2.7
212.08101	0.8
213.05475	1.1
213.09285	1.0
215.07156	0.8
215.10616	4.4
217.12314	0.9
221.05962	1.1
221.11812	0.9
223.07536	0.9
225.09186	2.1
227.07033	1.1
229.08533	0.8
233.11810	1.6
239.07018	2.8
251.07059	0.8
253.08733	2.2
257.11908	1.7
265.08554	1.0
267.06546	2.5
267.10071	1.4
271.09628	1.9
281.07962	1.6
283.09619	2.4
284.06876	1.0
285.07666	1.8
285.11301	5.3
287.08908	1.4
295.09662	1.3
297.07837	0.9
297.11359	2.4
299.09158	13.0
301.10703	4.8
309.11270	1.6
311.09119	0.9
313.10565	3.2
325.10800	1.6
327.12439	0.8
339.11725	0.8
341.10452	0.9
355.15399	13.5
367.15613	0.8
379.15497	0.9
379.38266	0.7
397.16702	1.0
403.14023	1.0
417.13635	1.0
421.16040	2.5
449.16031	11.6
450.15979	1.0
461.10114	0.7
461.15924	10.1
479.17059	42.0
480.17255	1.9
485.16339	1.1
491.17114	1.3
503.16705	3.3
511.12378	0.8
515.17126	1.4
521.18237	2.0
527.17212	1.6
530.42090	0.7
545.18176	2.2
549.17450	0.7
557.18280	1.1
585.19800	0.9
587.19440	1.4
691.20258	1.7
709.20947	1.5
727.22656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74526	0.3
56.28216	0.2
57.03424	0.9
57.72067	0.3
61.02919	0.8
61.99330	0.2
65.03934	0.6
67.05507	0.7
68.99791	0.6
69.03439	3.4
69.07071	4.4
70.06582	0.8
70.71271	0.3
70.71603	0.5
71.01332	0.2
71.04990	0.6
71.31853	0.2
72.08167	0.4
73.02902	0.7
79.05489	1.2
81.03424	3.8
81.07065	0.3
82.04183	0.4
83.54063	0.3
85.02909	7.5
87.00844	3.0
91.05504	1.4
93.07044	1.1
95.04961	0.8
97.02908	3.5
99.04473	1.3
103.05463	1.1
105.01873	1.9
107.04977	0.6
107.08555	0.3
109.02877	3.2
110.03712	0.6
110.90459	0.3
111.04443	0.4
117.01898	0.4
118.53003	0.3
119.04983	1.2
121.06524	0.6
123.04453	0.5
125.05984	1.0
127.03934	3.8
131.04927	1.4
133.02879	0.4
135.04413	0.7
138.03136	4.8
139.03914	6.1
143.08578	0.4
145.04982	1.1
147.04436	3.3
149.05994	1.8
151.03920	2.3
153.05478	100.0
154.05803	1.1
157.04407	0.3
159.02904	1.5
159.04231	0.4
161.06042	0.4
161.09659	0.4
163.03932	3.6
165.05490	5.3
167.07071	0.9
169.04979	0.8
173.05891	0.4
177.05486	10.5
178.55287	0.2
179.07054	7.2
181.04964	1.3
185.06027	0.3
189.05453	0.6
189.09157	0.7
193.04955	0.5
196.05547	0.2
205.04959	2.2
205.08569	0.5
207.10182	29.5
208.10570	0.6
213.03848	0.3
219.10112	0.4
231.04903	0.5
233.11929	0.3
247.06052	0.7
262.15015	0.3
271.09729	0.4
275.09021	0.3
285.07266	0.4
289.10669	0.6
299.08948	0.3
303.08447	0.6
305.10214	1.6
317.10214	32.5
318.10495	0.9
329.10147	1.5
341.10446	0.3
347.11270	0.4
359.11221	0.9
371.11090	1.3
373.16458	4.1
374.05167	0.3
395.11380	0.3
413.12225	1.3
415.17712	0.4
417.39932	0.3
425.12280	0.4
463.17511	0.5
529.13373	0.9
565.15466	3.1
618.86438	0.3
646.74835	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
61.02915	0.9
65.03938	1.0
67.05508	0.7
67.99288	0.2
68.99797	0.6
69.03435	4.5
69.07072	11.3
70.06585	0.7
70.90888	0.7
71.01357	0.2
71.04991	0.5
71.06953	0.2
73.02909	1.1
79.05493	1.5
81.03423	4.4
81.07056	0.3
82.04223	0.3
84.08149	0.4
85.02911	10.3
87.00831	4.7
91.03942	0.4
91.05474	1.5
93.07048	0.6
95.04949	0.9
97.02904	5.7
99.04443	1.7
103.05456	1.1
105.01867	5.9
105.07038	0.4
107.04978	0.7
109.02887	4.4
109.10130	0.4
110.03677	0.5
111.04430	0.5
115.03975	0.3
117.01839	0.3
119.04939	1.2
119.08562	0.3
121.06507	0.6
123.04444	0.6
124.61996	0.3
125.06004	0.9
127.03925	7.2
128.99423	0.3
129.01837	0.7
131.04932	1.2
131.08601	0.3
133.06514	0.3
135.04430	0.4
135.08083	0.3
137.05969	0.4
138.02122	0.5
138.03123	4.5
139.03914	9.3
145.04977	2.7
147.04422	4.7
147.07967	0.3
149.05980	1.4
151.03940	2.4
153.05475	100.0
154.05812	1.3
155.70740	0.2
159.02892	1.5
159.04219	0.4
163.03929	4.4
165.05502	6.0
167.07057	1.4
168.94263	0.2
169.04970	1.0
171.04439	0.2
177.05482	9.0
179.07053	7.8
181.05006	1.0
189.05479	0.4
189.09142	0.7
191.07086	0.3
195.06613	0.4
201.05446	0.3
205.05023	1.9
205.08623	0.4
207.10179	31.2
208.10538	0.6
211.07707	0.3
213.03996	0.7
219.06563	0.6
219.10204	0.4
221.11661	0.5
231.04918	2.2
231.10185	0.3
233.11752	0.4
239.06967	0.3
247.05977	0.9
249.06024	0.5
255.06590	0.3
289.10709	0.5
299.09256	0.4
303.08740	1.7
305.10220	4.3
317.10217	32.9
318.10522	0.7
329.10217	1.7
341.10187	0.4
347.11145	0.7
359.11285	1.0
371.11145	1.7
371.14670	0.3
373.11880	0.5
373.16476	6.8
383.10812	0.3
385.16541	0.4
395.11401	0.3
397.16354	0.7
413.12244	1.8
415.17914	0.3
415.96307	0.2
443.13223	0.3
453.06900	0.3
479.15125	0.4
517.13342	0.5
529.13171	0.7
547.14209	0.4
565.15930	1.3
565.23383	0.3
567.19049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.3
57.07091	4.7
59.31915	0.8
61.02933	27.5
65.03953	1.2
67.05183	1.0
67.05514	16.1
69.03427	3.5
69.06721	1.3
69.07072	17.3
70.06595	1.3
70.75619	1.8
71.01350	0.7
71.04987	1.1
71.08630	1.6
73.02924	13.5
73.50360	0.7
74.11154	0.7
79.05127	0.8
79.05505	9.9
81.03403	2.0
81.06576	1.4
81.07066	45.2
83.08627	9.9
85.02911	48.2
85.06546	0.8
86.03271	0.7
87.04453	0.9
91.03963	37.9
91.05481	7.1
93.07050	24.1
94.52643	0.7
95.00774	0.9
95.01336	16.1
95.04985	1.3
95.08613	82.9
97.02899	30.3
97.06513	0.8
97.10168	5.8
98.03279	0.7
99.00841	2.1
99.04456	3.0
99.08079	1.2
101.02381	1.8
103.03964	4.5
105.06377	1.4
105.07036	17.1
107.08600	40.2
109.02856	1.8
109.06509	1.0
109.10164	45.1
109.33146	0.7
111.11704	2.7
113.02357	2.6
113.67579	0.7
115.03905	2.9
117.05537	1.1
117.07012	2.4
119.08590	23.8
121.10155	43.5
123.11717	26.4
125.09623	2.2
125.13285	1.4
127.03925	25.6
129.07016	0.9
131.03392	2.6
131.08582	8.6
133.09111	1.1
133.10135	20.8
135.11696	31.1
137.13258	24.9
139.11182	2.7
141.01837	78.0
141.51642	0.8
145.04965	29.4
145.10133	9.4
147.10529	0.9
147.11700	17.1
149.13268	27.9
151.14841	2.4
157.10222	1.4
159.02901	25.5
159.11707	11.7
160.12486	0.8
161.13264	17.0
163.06030	87.7
163.11206	1.7
163.14836	12.6
164.06326	1.1
170.44695	0.8
171.11694	1.9
173.13261	8.4
175.13481	1.3
175.14856	14.2
177.03979	6.8
177.12840	0.9
177.16405	28.8
178.08705	1.3
179.09535	0.9
179.17957	2.2
185.13278	1.9
187.14844	5.6
189.16370	13.7
191.17964	23.1
193.15880	1.2
195.04971	1.0
199.14723	2.5
201.16386	11.1
203.17995	21.0
204.08727	1.1
205.15906	2.0
205.19539	28.2
205.21451	1.7
207.17462	2.9
213.16426	2.1
215.17970	14.7
217.19545	16.4
219.17458	5.9
219.21085	3.8
221.18987	3.4
227.18004	1.2
229.19525	18.4
231.21202	4.7
233.19000	13.0
241.19501	2.3
243.21066	3.4
245.19051	1.1
245.22638	3.6
247.20555	7.3
255.21027	3.9
257.22623	5.0
259.20535	1.7
261.22137	1.5
269.22537	5.1
271.24115	3.0
273.22141	2.4
275.23648	6.6
283.24234	1.7
285.06055	1.8
287.23724	3.1
297.25946	1.7
301.25174	2.7
303.07095	1.0
309.26221	0.9
313.28989	1.8
321.08154	3.8
337.28802	1.0
339.09189	3.5
353.32068	2.2
407.36783	34.1
408.36829	1.5
425.37805	100.0
426.38126	4.5
532.42560	1.4
692.39587	0.8
798.48047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
58.80660	0.4
61.02939	5.4
67.05518	6.8
67.09690	0.4
69.03432	3.7
69.07079	1.6
70.61562	1.0
71.01335	0.6
71.05004	0.8
73.02921	4.5
79.05499	3.6
81.03440	1.3
81.07073	6.0
83.08625	0.5
85.02920	6.3
91.03977	4.2
91.05475	2.3
93.07057	4.7
95.05007	0.7
95.08622	5.2
97.02899	5.5
99.04468	0.9
101.02404	1.9
103.03954	0.7
105.07062	1.4
107.08635	2.1
109.02907	0.9
109.10191	1.5
115.03972	0.5
119.08619	1.5
121.10184	1.9
123.08084	0.5
124.45600	0.4
127.03919	1.6
131.08543	1.0
133.10184	0.9
135.11731	1.0
145.10158	0.8
147.11723	0.6
159.11794	0.7
185.04320	0.9
203.05379	0.6
230.56207	0.4
243.08623	1.5
335.25879	0.7
445.39233	0.4
519.29315	12.3
797.51794	100.0
798.52240	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	797.469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	4.4
57.07074	2.8
59.92364	1.4
61.02640	1.9
61.02930	22.2
67.05511	18.0
69.03419	4.4
69.07070	13.8
70.06599	1.7
71.01344	1.4
72.08153	3.0
73.02921	9.5
79.05487	11.2
81.03403	3.4
81.06589	1.9
81.07063	35.9
83.01353	2.0
83.08620	8.9
85.02430	2.5
85.02913	48.7
85.39165	1.3
86.06080	1.5
91.03971	25.4
91.05473	11.7
93.07059	25.8
95.01333	35.3
95.04948	2.7
95.08614	68.9
97.02892	23.9
97.06538	1.9
97.10163	5.4
99.00800	4.3
99.04430	1.8
103.03941	4.7
105.07039	24.8
107.08606	41.7
109.10166	55.8
110.45580	1.4
111.08092	13.7
113.02380	3.5
115.03931	2.7
117.07019	2.8
119.08598	35.0
121.09319	2.3
121.10156	38.4
123.00800	1.8
123.11703	19.0
125.09637	2.1
127.03928	12.0
131.03404	1.9
131.08578	9.8
133.10147	31.1
135.11705	28.6
136.07578	3.5
137.09624	2.1
137.13249	4.8
139.11188	6.3
140.95956	1.4
141.01839	100.0
143.08626	3.2
145.04971	15.2
145.10129	15.3
147.04485	1.7
147.11691	29.1
149.13280	21.0
150.09117	1.5
151.11169	1.9
153.05476	1.7
157.10130	3.4
159.01634	2.3
159.02893	15.7
159.11713	18.1
161.13257	23.1
162.09096	1.9
163.03955	2.1
163.06036	28.7
163.11185	2.8
163.14822	22.3
165.12740	2.8
171.11723	3.5
173.13277	12.0
175.14821	18.2
177.03926	3.9
177.16393	16.6
178.08636	26.1
179.09428	10.0
179.17960	2.5
180.10207	4.6
183.11629	1.6
185.13303	2.7
187.14856	15.6
189.16409	19.5
191.14330	2.2
191.18010	11.0
193.15901	4.1
195.17484	8.3
199.14784	5.0
201.16371	15.7
201.65500	1.4
202.12206	1.5
203.17976	33.2
205.09680	2.3
205.15852	6.6
205.19534	4.2
206.08128	4.2
207.17505	9.8
213.16360	2.9
215.17960	16.7
217.15933	1.9
217.19525	19.3
219.17494	13.3
219.21060	1.7
221.09267	1.5
221.19009	12.0
223.10913	1.9
225.16441	1.8
225.28510	1.5
227.17958	6.1
229.19534	15.2
231.17493	1.8
231.21140	3.2
233.19017	6.4
241.19505	3.9
243.21082	6.3
245.19051	4.7
247.20662	8.5
249.12303	2.5
253.19652	1.5
255.21085	3.8
257.22696	6.2
259.20633	2.5
261.22067	3.3
267.13400	5.8
269.08127	1.9
269.22662	3.2
271.24289	1.8
273.22086	2.4
275.23758	3.0
283.24176	3.0
287.23773	2.7
295.24252	2.3
297.25549	2.9
301.25317	2.3
311.27380	1.8
313.25311	3.3
315.26770	4.4
329.28256	3.5
351.17603	1.8
351.30450	2.3
365.31937	4.3
369.31619	3.6
383.33148	5.7
405.35150	16.7
411.36224	2.3
423.36227	95.6
424.36380	4.8
426.33740	3.1
441.37320	61.3
442.37326	3.0
469.37851	1.9
507.39539	1.5
531.41608	25.4
549.42603	3.1
581.38525	4.2
599.39355	11.1
753.49091	9.1
797.35181	1.8
797.48163	31.6
798.47461	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	794.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80420	1.1
57.03443	15.1
57.07079	6.5
61.02922	3.2
65.03933	3.2
67.05513	100.0
69.03428	2.0
69.07076	34.4
71.04988	1.2
71.08629	2.5
71.54665	2.1
79.05500	45.5
81.07066	93.2
81.09525	1.0
81.36375	1.3
82.07338	1.2
82.55873	1.2
83.04977	2.1
83.08627	19.2
85.02909	2.1
85.06540	1.7
85.10171	1.6
87.04469	3.4
91.03973	2.1
91.05489	29.2
93.07053	54.7
95.04977	2.9
95.08615	73.4
97.02872	3.7
97.06570	6.4
97.10184	9.3
99.08097	2.8
105.07050	23.9
107.08606	30.3
109.06514	2.6
109.09462	2.1
109.10171	31.1
111.08117	2.9
111.11790	1.5
113.15271	1.2
117.07056	7.6
119.08588	21.2
121.06484	1.4
121.10163	25.1
123.08086	1.7
123.11722	13.9
125.09652	1.6
131.08578	12.1
133.10153	14.2
135.11719	18.6
137.13269	2.8
143.08530	1.7
145.10149	10.5
147.11699	12.4
149.09642	1.4
149.13260	8.7
151.11197	1.5
151.14824	1.7
159.11731	7.1
161.13266	10.7
163.14825	7.4
165.16452	1.4
173.13245	9.0
175.14806	5.7
177.16394	3.4
179.14339	1.7
185.13254	1.4
187.14821	4.1
189.16316	1.5
201.16379	1.8
217.19611	1.3
229.19621	1.1
243.21078	9.8
245.22745	2.7
259.20657	5.6
261.22150	25.5
263.23712	4.9
268.75098	1.2
279.23386	2.0
308.27682	1.3
313.78354	1.4
317.24728	4.7
333.24237	3.6
335.25827	87.1
336.26096	1.6
337.27396	91.3
338.27740	3.2
339.28827	6.1
464.98169	1.3
523.45020	4.0
541.45850	1.6
583.13568	1.3
597.48834	31.3
598.48743	2.2
615.49884	25.7
636.18793	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.8
55.05511	23.3
55.29497	1.6
56.04618	1.6
57.03422	7.1
57.07067	4.1
65.03928	6.0
65.53613	1.6
67.05506	90.7
69.03435	12.3
69.07070	21.7
71.04991	3.0
79.05502	65.1
79.64439	1.5
81.03426	10.4
81.07063	100.0
82.06593	1.7
83.04967	4.5
83.08643	11.0
84.08151	2.7
85.02923	11.4
85.06546	3.4
91.04913	1.7
91.05485	52.2
93.07053	74.6
95.04966	7.6
95.08614	72.7
95.09131	1.4
95.09225	2.3
97.02911	8.3
97.06534	4.2
97.10162	5.5
99.04440	2.2
99.08102	1.9
103.03904	1.9
103.05532	2.2
105.04540	2.4
105.07042	37.9
107.04935	2.9
107.08602	43.2
109.02860	2.4
109.06515	3.9
109.10165	35.0
111.04417	2.1
111.08042	3.9
115.05466	2.1
117.07040	17.7
117.18233	1.6
119.08591	32.2
121.06518	2.2
121.09317	2.7
121.10146	37.6
123.08044	2.0
123.11727	17.3
126.71046	1.8
127.03934	3.7
128.06259	2.8
129.06987	5.0
130.08638	4.8
131.08577	32.1
132.45093	1.6
133.06441	2.7
133.10129	19.5
135.11705	30.1
137.05873	1.9
137.09602	2.2
137.13251	7.9
139.11176	1.6
141.07037	1.7
142.07849	1.7
143.08548	4.9
145.06563	2.2
145.10144	21.9
146.10347	1.9
147.07964	2.0
147.11719	17.0
149.09630	2.0
149.13274	17.7
150.43839	1.9
151.11153	1.9
151.14873	1.9
157.10130	5.3
159.08084	1.9
159.11707	19.0
161.13246	12.1
163.14885	9.9
171.07970	2.1
171.11722	3.8
173.13287	18.0
175.11252	2.7
175.14818	6.7
177.12773	2.5
177.16373	3.9
185.13217	4.3
187.14848	8.4
197.13406	2.1
199.15086	1.7
201.16470	2.8
210.51839	1.8
229.15421	2.4
233.22664	4.7
243.21080	24.4
259.20532	6.3
261.22153	72.3
262.22461	2.2
277.21591	4.3
279.23227	7.1
289.21536	2.3
303.23163	4.0
315.23178	2.2
335.25806	17.4
341.24747	3.0
345.24149	2.4
351.23093	3.0
353.26804	15.2
369.24426	9.6
387.25281	7.9
390.55209	1.7
405.26349	9.6
423.27472	3.9
545.85846	2.0
651.11444	2.0
721.90106	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	792.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.1
55.05512	22.8
57.03433	4.1
57.07080	7.5
59.90704	2.3
62.74159	2.1
65.03937	6.3
67.05510	94.4
67.42491	2.4
69.03425	12.8
69.06752	2.3
69.07073	17.3
71.00648	3.0
71.00967	3.8
71.08598	2.3
72.98642	2.0
79.05496	79.0
81.03404	10.1
81.07059	98.4
81.39686	2.4
83.04968	4.4
83.08629	12.9
85.02903	10.3
91.05484	47.1
93.07051	100.0
94.46253	2.1
95.04963	11.0
95.08611	69.9
97.02896	7.6
97.06540	5.3
97.10192	6.6
98.21243	2.9
99.04455	4.1
99.08153	2.8
105.07033	47.7
107.04942	3.6
107.08599	50.3
109.02904	3.6
109.06506	4.1
109.10150	37.7
111.04472	3.0
111.63929	2.3
117.07003	21.1
119.08590	32.8
121.06535	2.4
121.10152	55.2
123.04458	3.5
123.08075	2.8
123.11721	18.1
127.03942	3.9
129.05400	3.0
129.07010	7.4
131.08574	34.0
133.06474	3.5
133.10161	27.8
135.08133	2.9
135.11716	36.3
137.13260	6.6
143.08543	6.2
145.10127	26.2
147.11693	17.5
149.09630	3.0
149.13264	24.6
155.08597	3.9
157.10130	5.4
159.11702	24.9
161.13271	12.6
163.11177	2.5
163.14812	15.7
171.11678	3.8
173.09711	2.6
173.11923	3.6
173.13275	22.9
175.14876	4.2
177.16457	5.9
179.14349	4.2
183.11723	4.7
185.13284	5.2
187.14825	12.1
199.14905	3.7
201.16342	4.5
205.15872	3.5
209.13052	2.5
209.15471	2.3
233.15436	3.2
233.22673	4.5
243.21060	26.3
259.20569	3.7
261.22141	93.5
277.14487	3.0
277.21658	5.5
279.23441	2.9
301.21588	3.3
303.23196	5.4
315.23297	4.2
335.25833	9.9
351.23151	6.7
353.26938	19.2
369.24304	13.6
387.25034	12.1
405.26627	11.7
423.27353	5.6
501.40945	2.6
580.38208	3.2
604.41296	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	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
55.05516	19.8
57.03442	12.1
57.07074	1.7
59.95003	0.9
61.02921	3.9
65.03940	3.5
67.05512	72.7
69.07076	18.2
71.05000	2.6
71.32843	1.8
74.85504	0.9
79.05502	49.5
81.07066	70.0
83.04985	1.8
83.08635	7.4
85.02902	2.9
85.06531	1.4
91.03954	1.1
91.05493	29.9
93.07054	50.6
94.39220	0.8
95.04974	3.8
95.08617	55.6
97.02916	1.2
97.06535	2.3
97.10172	3.7
99.08097	1.3
105.04508	1.2
105.07039	22.8
107.08602	28.8
109.06529	2.1
109.10161	23.9
111.08051	1.7
116.02399	0.8
117.07001	8.8
119.08598	16.7
121.10163	22.3
123.08069	1.2
123.11726	8.9
129.07040	1.5
131.08586	13.0
133.10147	16.1
135.11711	16.3
137.09608	1.5
137.13272	2.0
143.08601	2.3
145.10132	9.8
147.11702	10.0
149.09612	1.3
149.13277	9.5
157.10158	1.8
159.11717	10.5
161.13284	8.0
163.14873	4.3
171.11725	1.7
173.13228	7.0
175.14828	3.8
177.12704	1.0
177.16431	1.7
185.13289	2.7
187.14870	4.3
189.16406	1.5
197.13329	1.4
201.16391	1.5
203.18011	1.2
241.19536	3.3
243.21165	5.4
245.22681	1.4
247.20590	1.1
259.20627	6.4
261.22144	20.3
263.23886	1.3
279.23038	1.2
317.24890	5.1
333.24326	6.3
333.27652	1.1
335.25830	100.0
336.26166	3.6
337.27472	8.1
371.29068	1.0
437.87628	0.9
503.42972	1.0
521.43475	2.4
595.47327	12.9
613.48584	8.8
614.48993	1.3
632.81036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.7
57.03435	2.1
61.02936	3.1
67.05508	7.8
69.03432	3.0
69.07072	2.8
70.06598	13.5
71.05007	0.7
71.55480	0.7
72.08163	43.4
73.02923	3.0
79.05495	5.9
80.04996	0.8
81.03424	2.8
81.07065	8.2
83.08622	1.9
84.08163	0.8
85.02914	2.5
91.03968	1.7
91.05501	2.9
93.07056	7.7
95.04984	1.5
95.06074	0.7
95.08605	5.3
96.04530	1.4
97.02912	2.5
97.06557	0.8
97.10179	1.1
98.06062	0.9
101.02422	0.8
104.99523	0.6
105.07013	3.2
107.08617	2.7
108.08095	0.8
109.06575	1.0
109.10188	2.0
116.07084	0.8
117.07053	1.8
119.08616	2.4
120.08157	1.2
121.10186	1.9
123.08138	0.8
123.11745	0.7
124.06310	0.7
127.03960	1.1
131.08620	2.0
133.10188	1.2
135.11765	1.5
136.07646	0.9
145.10201	1.7
148.07594	3.9
149.10811	1.8
150.09151	1.4
151.08742	1.2
152.09456	5.2
162.09204	1.8
165.10345	2.3
176.10797	1.4
190.12314	0.7
208.13370	0.7
227.12846	0.8
231.18623	1.0
232.17017	3.3
232.92592	0.6
233.20151	0.7
236.33420	0.7
242.15471	1.0
249.19659	3.2
259.18179	4.1
260.16486	4.8
267.20770	0.7
277.19122	44.1
295.20206	11.7
313.31274	0.7
335.26031	2.0
351.22882	6.0
369.23795	5.5
508.35077	0.9
513.28485	1.7
526.36432	1.3
543.36237	0.9
544.37366	1.6
601.46552	1.1
612.13135	0.8
629.45190	9.8
679.11823	0.8
791.50690	100.0
792.50769	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	790.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
55.05500	3.3
57.03436	2.2
57.07079	100.0
59.05005	19.0
61.02900	1.0
67.05502	5.4
69.07062	3.1
70.06586	1.7
71.04990	0.7
71.08636	65.8
71.56805	1.1
73.02932	1.7
73.06543	2.4
79.05491	4.3
81.03424	1.4
81.07056	4.9
83.08619	2.6
85.10189	59.0
87.04471	13.7
89.06036	70.7
90.01919	1.2
91.05484	3.4
93.07059	4.3
94.07367	1.1
95.04985	0.9
95.08600	3.3
97.06535	1.0
97.10165	2.7
99.11732	11.0
99.73480	1.0
101.05969	1.1
101.09641	1.0
104.66174	0.8
105.07040	3.7
106.06624	0.8
107.04986	0.8
107.07059	1.9
107.08602	2.6
109.06532	1.0
109.10114	1.8
111.11703	1.0
113.13303	5.8
115.79476	0.7
116.07104	2.2
117.02586	0.8
117.07014	1.1
117.08422	1.1
117.09127	6.2
118.18201	0.7
119.08598	1.6
119.84672	0.7
121.10176	1.9
121.49655	0.8
126.45562	0.8
130.08643	2.7
131.07059	4.4
131.08606	1.4
133.08614	50.9
135.10172	1.2
135.11681	1.4
145.10121	1.2
147.11723	1.6
149.09651	1.0
155.17957	8.4
167.19077	0.8
173.99982	0.8
175.09682	3.1
177.09657	1.1
177.11238	21.8
177.58293	0.9
213.22176	15.3
219.12289	1.4
221.13867	4.6
227.12881	1.0
232.20334	0.9
239.14948	1.2
254.24808	1.2
265.16428	1.3
271.26337	6.9
275.20068	2.3
276.20389	1.5
283.17422	1.7
327.19940	1.2
335.25766	2.0
336.26215	1.7
349.23749	1.4
415.25415	1.0
503.30884	6.8
543.33215	1.1
610.45374	2.8
790.58875	2.7
791.44446	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	790.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.05512	4.0
55.16909	1.1
57.03439	1.8
57.07078	100.0
59.05005	20.7
67.05502	5.8
69.03444	1.7
69.07069	4.0
69.91727	4.1
70.06594	1.5
71.08635	69.7
73.02920	2.8
73.06547	1.3
73.73952	0.9
79.05495	4.4
81.03421	1.9
81.07066	5.5
83.08608	2.9
83.64596	0.9
85.02872	1.3
85.10184	57.8
87.04465	11.3
89.06035	67.7
90.01910	1.4
91.05475	4.7
93.07049	5.0
95.04951	1.3
95.08609	2.7
97.06522	2.0
97.10175	2.9
99.11736	9.1
101.09698	1.8
102.88230	0.7
105.07053	4.0
106.85124	1.1
107.04965	1.7
107.07058	2.1
107.08587	3.0
109.10175	2.7
112.85322	0.9
113.13277	5.4
116.07104	1.0
117.07012	1.5
117.09147	4.7
119.08572	2.4
120.32207	0.8
121.10190	2.1
130.08661	2.6
131.07069	5.0
131.08569	2.1
133.08614	55.1
133.10199	2.3
135.08104	0.9
135.11713	1.0
145.10126	1.5
147.11646	1.0
149.09543	0.9
155.17960	7.9
175.09659	2.6
177.11232	21.6
197.77153	0.9
213.22141	12.3
219.12276	1.1
221.13863	2.9
223.15526	0.9
254.24751	1.1
271.26361	4.7
275.20044	1.6
276.20413	1.3
283.17538	1.9
309.19080	1.2
327.19904	1.1
335.25797	2.4
336.26190	1.6
337.27310	1.1
349.23804	1.3
390.55414	1.0
459.27789	1.8
503.30801	6.0
610.45111	2.1
790.58105	2.0
791.44824	4.4
809.03668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.5
55.05265	2.2
55.05516	33.9
57.03442	19.3
57.07082	11.7
58.69636	1.8
59.05010	37.6
61.02914	1.6
61.43336	1.5
62.71791	1.5
65.03939	3.3
67.05513	100.0
69.03441	5.6
69.07066	17.4
70.06590	5.2
71.05006	11.2
71.05819	3.3
71.08629	7.3
73.02898	1.8
73.06558	1.7
74.06000	1.6
79.05059	2.9
79.05500	48.6
80.60397	1.5
81.03420	5.1
81.07066	53.3
83.04989	5.4
83.08635	13.3
85.02899	5.0
85.06548	3.0
85.10196	6.4
87.04478	48.7
89.06035	6.9
91.03986	1.8
91.05495	24.0
92.27875	1.6
93.07052	43.5
95.04995	8.5
95.08616	34.8
96.80737	1.6
97.02913	3.6
97.06562	2.8
97.10176	17.4
99.04472	16.2
105.07043	17.2
107.04926	3.4
107.08594	25.9
109.06504	4.7
109.10164	54.8
111.04433	2.1
111.08121	4.1
116.07101	4.8
117.07011	4.3
119.08605	17.5
121.06505	1.6
121.10158	17.0
123.11720	5.9
125.09650	15.8
129.06976	3.5
131.08578	10.6
133.08626	4.5
133.10130	8.8
135.11688	10.2
137.09581	2.0
145.10173	10.7
147.11711	6.4
149.13246	3.5
157.10118	1.9
159.11702	6.5
161.13245	4.0
163.11185	4.6
163.14880	2.0
165.12767	2.0
173.11742	16.9
173.13278	4.0
175.11201	1.7
175.14825	1.8
187.14815	3.2
189.11166	2.4
199.13277	8.8
201.16394	2.1
209.11766	2.4
227.12781	6.1
229.14374	34.4
241.14337	4.5
243.21074	3.9
243.23358	2.9
259.20612	2.3
261.22089	9.6
267.15894	6.0
271.20706	1.7
315.18005	8.2
317.24591	1.8
330.70908	1.7
335.25836	50.0
336.26062	2.4
363.25177	4.8
394.41806	2.4
444.80768	1.9
477.35944	16.1
489.35837	38.2
490.36246	3.1
507.35275	1.9
543.36560	2.9
575.39355	2.5
593.40802	2.8
597.85468	1.8
606.11646	2.2
610.45721	2.1
623.15356	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	8.6
55.05521	16.0
57.03441	10.5
57.07071	2.0
65.03920	2.4
67.05180	3.7
67.05508	52.3
69.07072	24.7
79.05499	38.0
81.03422	3.9
81.07061	56.2
83.04977	3.0
83.08605	9.3
91.04975	3.7
91.05490	44.2
93.07046	41.8
95.01325	4.5
95.04949	8.5
95.08051	4.1
95.08609	37.4
97.06542	15.7
98.21536	4.7
105.07038	52.7
107.04978	9.8
107.08598	20.2
108.21215	2.2
109.06504	4.2
109.10189	14.0
111.08073	2.4
117.07030	11.0
119.08587	27.6
121.06526	2.4
121.10138	14.3
123.08043	2.9
131.08565	18.7
133.10143	24.3
135.11673	8.3
137.09590	3.8
140.13463	2.3
143.08559	4.2
145.10133	15.3
147.11716	13.2
149.09581	5.7
149.13167	3.6
151.11115	2.5
159.11684	9.1
161.13211	4.8
173.13333	3.4
177.12672	3.1
179.14314	8.9
185.13315	3.4
187.11086	2.4
198.73383	2.6
218.81831	2.1
219.17465	47.1
232.70720	2.2
256.13550	2.3
257.19110	3.7
275.16965	2.5
275.20047	53.7
293.21140	3.9
335.25815	53.7
349.23703	22.1
563.38623	4.0
609.45135	100.0
610.45044	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	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	19.3
55.05517	30.3
57.03441	18.0
57.07065	4.0
59.04998	2.7
61.02913	2.9
65.03933	4.9
67.05510	98.5
68.05827	6.9
69.03432	6.2
69.06731	2.8
69.07072	42.8
71.04985	7.6
73.02899	2.5
78.53184	1.7
79.05501	60.0
80.05830	3.0
81.03407	13.3
81.06588	3.9
81.07064	77.8
82.07381	4.5
83.04996	12.5
83.08620	14.8
83.87542	1.7
85.02899	5.0
85.06532	3.4
91.05489	90.6
92.05810	2.5
93.06474	3.8
93.07047	65.5
94.07355	2.5
95.01329	7.4
95.04974	12.7
95.08613	53.7
97.02865	5.0
97.06533	29.9
97.10159	5.9
99.08095	3.6
103.05450	3.7
104.60759	1.9
105.04500	2.4
105.07038	100.0
106.07364	2.4
107.04959	17.0
107.08605	35.0
109.02862	2.4
109.06532	8.9
109.09470	2.7
109.10160	33.3
110.10478	7.5
111.08082	4.0
116.09502	1.8
117.07042	26.9
119.08586	56.8
121.06490	8.3
121.10159	23.3
123.04388	2.7
123.08041	5.5
123.11721	3.8
125.09696	2.6
129.07033	10.7
130.07744	1.8
131.08583	37.8
133.10135	52.1
135.08058	4.1
135.11722	16.2
137.09618	4.6
141.06993	3.5
143.08598	9.2
145.06450	3.0
145.10138	25.2
147.08080	2.4
147.11687	25.6
149.09618	8.1
149.13251	7.9
151.11189	3.6
154.07817	2.5
155.08551	4.4
157.10144	9.7
159.08113	2.7
159.11710	22.8
161.09602	3.0
161.13255	17.2
163.11200	3.8
165.09093	2.3
167.08420	1.9
169.10146	6.5
171.10390	1.9
171.11690	10.9
171.46822	2.3
173.11731	7.6
173.13272	10.1
174.11964	2.4
175.14809	6.6
177.12772	4.2
179.14345	11.7
179.23399	1.8
181.47578	1.9
183.11728	2.6
185.13258	7.2
187.11177	5.2
187.14764	3.6
197.13268	5.3
199.14793	2.9
203.14275	2.5
211.14804	2.3
224.13644	3.0
229.14381	26.3
230.14645	10.3
231.20975	2.2
239.17693	2.0
241.19571	14.7
257.18991	6.9
259.20532	17.8
261.22098	5.4
262.22482	2.8
273.18518	4.2
275.20081	65.1
293.20990	3.0
297.16898	7.7
298.17300	3.6
315.23169	8.4
333.24225	39.4
335.25854	23.8
336.26129	23.0
349.23782	35.4
489.35590	5.9
490.36334	10.7
558.38379	8.2
607.43604	51.0
625.44513	18.1
715.44958	2.5
783.72394	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	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	17.2
55.05512	35.4
57.03439	15.3
57.07074	4.4
61.02931	5.3
65.03933	5.5
67.05507	82.1
69.03436	16.9
69.07072	42.2
69.27117	2.9
70.96011	7.6
71.04987	9.4
72.74126	3.2
73.02921	4.4
79.05059	5.6
79.05501	77.9
81.03432	46.6
81.07065	100.0
83.04964	11.1
83.08629	19.3
84.00005	3.3
85.02898	14.0
85.06521	4.0
91.03967	4.1
91.05486	83.3
93.07056	80.5
95.04995	19.0
95.08044	5.3
95.08616	53.5
97.02899	18.1
97.06541	24.8
97.10183	4.9
99.04437	6.8
99.08104	6.7
103.05509	4.0
104.48936	3.3
105.07043	80.2
107.04961	9.7
107.08593	42.2
109.02886	9.9
109.06524	10.0
109.10171	24.0
111.04456	3.9
111.08083	6.6
115.05435	6.6
117.07018	32.3
119.08592	60.0
121.09590	2.5
121.10184	25.7
123.08093	8.0
123.11760	6.8
125.09653	4.5
127.03907	8.9
128.06253	4.2
129.07028	19.3
131.08577	43.2
133.06497	4.8
133.10147	43.2
135.08078	7.5
135.11710	15.8
137.09631	5.5
141.07014	7.5
142.07727	3.2
143.08560	19.8
145.06480	5.4
145.10138	32.7
147.11702	33.6
149.09619	9.8
149.13287	12.9
151.11284	6.9
155.08536	9.8
157.06387	4.1
157.10152	22.6
159.08073	3.7
159.11697	28.9
161.09584	3.7
161.13251	20.4
163.11148	7.5
163.14803	4.1
165.12714	3.9
169.10164	11.3
171.11729	17.0
173.04506	12.7
173.13269	18.1
175.14835	6.0
177.12811	4.1
179.08578	4.1
179.14357	5.9
181.10190	5.0
183.11702	12.1
185.09642	3.5
185.13281	12.9
187.11285	6.0
187.14883	6.3
193.10109	4.1
195.11697	9.5
195.13631	3.7
197.13313	6.6
199.14793	7.6
209.13255	10.3
211.14886	7.3
213.16399	7.2
221.13382	4.5
223.15019	4.0
225.16644	4.1
241.19525	10.3
247.20677	3.3
257.19034	8.8
259.20734	16.2
261.22305	4.1
267.15903	4.8
275.20078	33.7
277.21622	4.5
300.40579	3.6
315.23251	4.5
333.24326	24.1
335.25916	7.4
349.23849	18.2
435.21997	3.5
513.35718	7.1
515.38293	4.5
527.37170	14.2
533.39813	6.0
607.43713	42.1
625.44604	37.8
635.40295	6.0
649.44415	3.7
653.40387	5.4
671.41455	8.2
689.42444	10.4
769.49017	7.0
771.63770	3.5
787.48248	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	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	16.7
55.05514	37.3
57.03446	14.7
57.07073	6.2
59.05013	2.6
61.02938	14.7
65.03934	10.2
67.05509	86.7
69.03436	20.1
69.07071	36.3
71.04974	8.2
71.55885	3.6
73.02917	7.3
79.05065	3.6
79.05499	66.4
81.03419	26.6
81.07060	76.2
82.07382	2.1
83.04974	10.5
83.08617	17.9
85.02911	19.1
85.06526	4.6
86.56741	2.0
91.03946	8.7
91.05484	67.2
93.06468	4.5
93.07050	65.8
93.18203	2.2
95.04971	16.0
95.08613	50.6
97.02905	22.4
97.06549	17.0
97.10170	14.3
99.04444	7.8
99.08112	4.8
105.07034	57.9
107.04937	9.9
107.08609	40.1
109.06508	9.0
109.10159	31.7
109.10849	4.0
111.08058	7.3
115.05437	5.1
117.07031	29.9
117.27135	2.0
119.04932	2.6
119.08579	43.7
121.06519	6.6
121.10147	28.8
121.69040	2.3
123.08056	8.6
123.11717	9.7
123.99621	2.0
125.09599	5.3
127.03899	7.3
128.06245	9.0
129.07011	29.2
130.07846	2.2
130.40781	2.1
131.08572	40.9
133.10136	33.0
135.08078	7.2
135.11682	13.1
137.09648	4.6
141.07021	12.4
142.07764	6.1
143.08566	24.5
145.04988	2.9
145.06438	3.2
145.10132	36.2
147.04390	2.4
147.11690	22.7
149.02373	58.1
149.03462	5.0
149.09650	6.9
149.13278	11.1
150.02733	12.6
151.01135	2.5
151.11139	3.0
154.07828	4.3
155.08569	19.1
157.10139	24.4
159.08043	4.3
159.11694	24.7
161.09634	5.4
161.13252	9.0
163.11104	4.9
165.06970	3.1
165.12733	3.2
167.08563	7.5
168.09291	2.2
169.10143	15.9
171.11678	22.7
173.04459	10.9
173.09647	4.0
173.11839	4.2
173.13219	16.2
175.11237	2.8
175.14803	6.3
179.08495	4.8
181.10135	11.2
183.11732	20.1
185.13228	10.3
187.11127	3.8
187.14841	7.4
189.11235	5.4
189.12759	3.0
193.04984	51.0
193.10231	5.7
194.05281	18.9
195.11722	11.8
197.13319	14.8
199.11238	4.1
199.14812	9.0
199.60188	2.3
201.16379	5.3
205.15837	2.8
207.11754	4.0
208.89694	2.2
209.13341	12.1
211.14848	10.0
213.16418	6.0
215.17957	3.8
219.11674	2.9
221.13306	4.7
223.14821	7.5
225.16373	4.7
227.12801	5.4
229.14272	5.8
235.14755	3.1
237.16345	6.5
239.18002	3.5
241.19566	7.7
251.18007	3.1
255.21288	2.2
257.18988	4.7
259.20593	9.9
261.22119	2.8
267.15695	2.5
271.20200	2.4
273.18567	6.1
275.20190	14.6
277.21841	3.5
290.02850	2.5
291.19614	3.7
295.20450	2.8
297.22153	2.9
321.22086	2.5
329.24860	3.4
333.24173	7.4
335.25769	8.5
349.23932	6.3
381.31836	4.5
385.09171	2.5
385.23672	3.2
421.31000	4.8
423.32425	2.8
473.33932	2.4
495.34625	4.2
513.35889	31.1
515.37927	8.0
527.37201	13.0
533.40027	4.5
551.40564	6.8
555.36707	3.1
567.39923	3.4
597.45612	3.4
607.43634	52.1
623.41656	2.6
625.44690	100.0
626.44714	6.1
689.42041	6.6
751.47858	5.4
769.48199	8.7
770.18335	21.9
787.50128	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	787.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01635	2.1
55.01867	19.1
55.05261	3.6
55.05512	42.4
57.03441	12.6
57.07065	3.1
59.84446	2.2
61.02934	17.6
65.03945	5.8
67.05508	80.3
69.03436	20.7
69.07065	37.2
71.04993	5.7
71.55927	3.4
71.59167	2.5
73.02914	8.8
79.05493	61.1
81.03410	20.4
81.07059	68.0
83.04979	9.6
83.08622	21.7
85.02914	12.2
85.06566	4.7
91.03944	8.2
91.05483	65.9
93.07044	57.4
93.29562	2.7
95.04970	13.3
95.08614	40.8
97.02899	16.8
97.06538	16.2
97.10153	17.0
99.04447	3.5
99.08105	4.1
105.07036	60.6
106.07240	2.7
107.04966	10.0
107.08604	42.6
107.94212	2.5
109.02889	3.2
109.06526	9.3
109.10155	26.9
110.04382	2.5
111.04453	3.6
111.08070	6.7
115.05457	4.7
117.07019	24.6
119.08585	45.7
121.06508	4.7
121.10136	23.7
123.08113	4.7
123.11714	9.6
125.09622	13.7
127.03902	8.6
128.06255	8.5
129.07024	23.2
130.07777	4.3
131.08583	38.7
133.10127	32.5
135.08104	4.5
135.11674	12.6
141.06993	7.8
142.07808	5.5
143.08556	29.2
145.06479	3.2
145.10109	28.9
147.11691	20.5
149.02385	16.9
149.09674	5.2
149.13246	5.5
150.02638	5.3
153.06923	3.6
155.08560	21.0
156.09285	5.3
157.10112	32.8
159.08087	4.7
159.11697	24.2
161.09656	4.8
161.13211	14.4
163.11151	5.4
163.14810	3.6
167.08569	10.8
169.10127	22.6
170.10686	3.1
171.11720	22.2
173.11938	4.0
173.13249	18.2
175.11145	5.2
175.14920	3.7
179.08540	5.8
181.10158	9.5
183.11681	21.7
185.13223	17.4
187.11201	3.2
187.14816	6.7
189.11185	5.6
193.04996	20.3
193.10135	4.1
194.05312	5.4
195.11783	15.5
197.13342	15.9
199.14877	9.2
207.11818	6.0
207.13536	2.8
209.13231	9.8
211.14888	6.0
213.12720	3.6
213.16446	4.8
221.13271	4.9
223.14796	6.6
225.16406	8.2
227.12633	6.7
227.18039	5.7
229.19534	3.1
235.14680	3.0
237.16406	7.4
239.17984	6.5
241.19522	6.5
257.19052	4.2
259.20609	9.2
273.18719	4.2
273.22318	2.9
275.20151	15.1
277.21750	3.5
283.20798	2.9
295.20453	3.3
309.22125	4.1
321.21985	4.9
333.24359	8.6
335.26001	4.7
343.22803	3.2
349.23901	7.9
365.28448	5.5
368.23694	3.1
421.31104	4.3
435.32608	3.1
495.34634	5.2
513.35626	28.9
515.38300	4.9
527.37292	6.2
533.39734	6.3
551.40466	4.5
607.43567	49.3
625.44739	100.0
626.45026	10.3
675.41046	3.8
751.47290	3.6
769.48413	11.5
770.17157	8.4
787.49817	26.5
817.18085	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	787.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05519	5.0
57.07070	0.7
60.14991	0.4
63.02376	1.0
65.03951	0.6
67.05175	0.6
67.05508	7.8
69.03431	1.2
69.07077	4.7
70.06596	2.2
72.08161	1.0
79.05495	5.2
81.03420	1.3
81.07062	16.0
82.95576	0.4
83.01327	1.7
83.04986	0.9
83.08615	2.3
85.02892	0.9
87.04497	0.6
89.03918	12.5
91.05493	3.4
93.07048	5.0
95.01328	1.8
95.04962	2.0
95.08608	12.2
97.02885	1.7
97.06528	1.6
97.10172	1.9
98.10554	0.5
99.00835	5.9
99.04459	2.9
103.05439	0.5
105.07050	4.0
107.04966	2.8
107.08599	4.2
109.02908	0.7
109.06519	1.4
109.10156	6.5
111.08082	0.6
113.02368	1.5
115.05448	0.7
117.01904	1.2
117.03387	10.9
117.07015	1.2
119.04948	0.8
119.08592	3.0
121.06495	0.4
121.10130	1.8
123.04390	0.8
123.08087	0.8
123.11697	4.7
125.05991	0.9
125.09604	0.7
129.07019	0.6
131.08572	1.4
133.10127	2.6
135.04427	23.4
135.08006	0.7
135.11684	1.3
137.05997	2.0
137.13297	0.5
139.07553	0.9
139.11121	0.4
143.08507	0.7
145.02859	16.2
145.03996	1.1
145.10127	1.9
147.04384	0.8
147.08134	0.5
147.11656	1.3
149.02310	0.6
149.05995	1.7
149.09663	0.7
149.13289	0.6
151.07568	2.2
151.11172	0.7
153.05502	2.6
155.07033	1.2
157.10097	0.6
159.11655	1.2
161.05937	1.1
161.09598	0.8
161.13283	0.8
163.03914	100.0
163.07588	1.9
163.14711	0.6
164.04279	1.4
165.09108	1.4
167.07077	1.0
169.05040	0.7
171.08043	1.5
173.09662	0.8
175.07506	2.3
175.11232	0.6
175.14905	0.6
177.05486	5.4
177.09103	1.4
179.10716	0.9
181.04967	9.7
183.06558	3.6
186.05658	0.6
189.09114	13.6
189.12686	0.5
190.09563	0.7
191.07028	1.0
193.04988	0.6
193.12340	0.5
195.06538	23.0
199.14827	0.7
203.10660	1.8
205.08673	1.1
207.06538	1.6
209.08089	8.7
217.12178	1.0
221.08150	1.3
223.09657	14.5
231.10172	0.5
231.13831	0.7
235.09753	2.3
235.13141	0.6
237.11240	13.4
249.11241	12.5
251.12875	3.2
261.11072	0.7
263.12790	3.3
265.14584	0.6
275.12491	0.5
277.14270	1.3
279.16034	0.7
289.14389	0.7
291.15863	1.4
293.17480	0.9
295.04535	3.6
303.15826	1.4
305.17374	1.1
307.18954	1.3
317.17239	1.1
319.18985	1.2
329.17502	0.6
331.18958	0.9
333.20551	0.6
359.21896	0.6
425.98538	0.5
429.30026	4.0
430.30145	0.5
439.28510	1.7
457.29532	30.7
458.29810	1.9
475.30643	4.2
514.50739	0.6
589.30060	1.4
607.31134	40.0
608.31250	2.0
625.32031	1.8
636.66071	0.5
769.34308	36.0
770.34271	2.4
787.35382	7.5
798.22223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
55.05511	5.4
57.03422	0.8
57.07069	1.3
63.02346	1.0
65.03941	0.7
65.57166	0.5
67.05173	0.6
67.05508	7.9
69.03440	1.1
69.07069	6.1
70.06586	2.3
70.50643	0.8
71.04985	1.0
72.08159	1.1
79.05498	5.3
80.05832	0.4
81.03406	0.8
81.06575	0.9
81.07058	16.5
83.01334	2.1
83.04973	0.7
83.08629	2.6
84.08133	0.5
85.02890	0.8
89.03919	12.0
91.05476	4.1
93.07050	5.7
93.77258	0.4
95.01285	1.0
95.04956	1.9
95.08607	10.7
97.02888	1.7
97.06537	1.2
97.10162	1.7
99.00813	7.1
99.04481	3.1
100.17439	0.5
103.05508	0.8
105.07040	3.8
107.04950	3.5
107.08607	4.8
109.02911	1.1
109.06503	1.2
109.10162	6.7
111.04440	0.6
111.08099	0.7
111.11651	0.5
113.02368	1.7
113.05988	0.5
114.83734	0.4
117.01892	1.3
117.02608	0.9
117.03384	11.2
117.07015	1.0
119.04954	0.6
119.08604	3.4
121.06479	0.8
121.10131	3.0
123.08073	0.8
123.11706	3.5
125.06036	0.9
125.09636	0.7
127.03920	1.0
131.04904	0.6
131.08546	0.7
133.06471	1.3
133.10149	3.1
135.04420	24.5
135.08055	0.9
135.11691	1.4
137.05986	1.6
139.07570	1.0
143.08632	0.8
145.02853	16.9
145.06490	0.6
145.10144	1.9
147.04396	1.3
147.08023	0.5
147.11716	1.7
149.02328	0.6
149.05948	2.3
149.09615	1.0
149.13295	0.9
151.07552	2.5
152.86879	0.5
153.05449	3.7
155.07016	1.4
157.10161	0.8
159.11690	1.0
161.05972	1.4
161.09668	0.8
161.13223	1.0
163.03909	100.0
163.07545	1.8
163.11136	0.8
164.04248	1.4
165.09140	0.6
167.07047	1.0
171.08075	1.7
171.11665	0.5
174.06654	0.6
175.07541	2.3
175.14812	0.5
177.05481	5.4
177.09135	2.1
179.07130	0.6
181.04958	9.6
183.06535	4.4
187.07590	0.7
187.11092	0.6
189.09128	11.1
191.07019	2.0
191.10678	1.3
195.06538	25.5
197.13432	0.6
203.10707	2.6
205.08643	1.2
205.12183	0.9
207.06483	2.5
209.08098	10.2
215.10719	0.8
217.12209	0.4
221.08115	1.5
223.09654	14.7
223.13033	0.6
231.10181	1.0
231.13835	0.6
235.09653	2.4
237.11224	15.6
247.09570	0.7
249.11217	12.7
251.12811	3.3
261.11212	1.3
263.12802	4.4
265.14343	1.5
275.12820	0.9
277.14423	1.8
279.16046	0.6
287.05621	0.5
287.12982	0.6
289.14511	0.8
291.15887	1.7
293.17416	0.8
295.04578	3.3
303.15894	1.6
305.17383	1.3
307.18948	0.8
317.17493	2.0
319.19067	1.4
331.19006	1.2
359.22565	0.6
413.30350	0.5
429.29935	4.1
439.28525	1.3
457.29520	30.9
458.29886	1.3
475.30502	5.0
589.29724	1.2
607.31128	43.9
608.31543	1.9
625.32037	2.0
769.34235	37.6
770.34277	3.9
787.35297	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	785.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05516	10.8
57.03450	6.6
61.02646	1.8
61.02932	23.6
65.03937	1.8
67.05173	2.2
67.05506	25.5
67.22232	1.1
69.03450	6.9
69.07069	10.2
70.06612	6.4
71.00466	2.8
71.04984	3.4
72.08150	2.8
72.97340	1.0
73.02937	6.2
76.27560	1.6
79.05492	22.5
81.03417	7.0
81.07066	26.9
83.04987	3.8
83.08616	8.5
84.08099	1.2
85.02422	2.2
85.02908	28.8
85.06557	2.7
87.04466	1.4
91.03965	13.0
91.05486	32.1
93.07053	23.1
95.04953	4.3
95.08615	17.8
97.02892	19.0
97.06522	4.9
97.10169	4.1
99.04473	2.3
103.05469	2.6
105.07034	25.1
107.04958	5.3
107.08588	10.7
109.02853	2.8
109.06535	5.9
109.10149	9.2
111.08069	2.7
113.05936	1.3
115.03948	2.0
115.05407	2.2
116.07043	1.3
117.07020	17.8
119.04955	3.2
119.08579	15.9
121.06481	5.1
121.10150	7.2
123.08045	3.2
127.03912	10.4
128.06265	6.4
129.07010	17.6
131.04935	3.4
131.08572	26.1
133.06468	4.8
133.10123	10.8
135.04434	1.7
135.08047	4.0
135.11708	4.9
137.05968	2.0
137.09598	1.5
141.06993	10.6
142.07814	2.2
143.08577	19.2
145.02765	1.4
145.04947	5.0
145.06482	4.9
145.10110	13.0
147.04416	6.3
147.08034	5.0
147.11652	5.0
149.06102	1.3
149.09630	5.3
149.13177	1.6
151.11139	1.7
153.05440	2.5
153.06995	1.7
154.07753	2.0
155.08586	16.9
157.06538	2.4
157.10139	13.5
159.08072	4.0
159.11668	10.6
161.05901	1.4
161.09554	3.1
161.13280	2.3
163.03841	5.0
163.06001	2.6
163.11183	3.7
165.07040	1.6
167.07265	1.4
167.08585	7.7
168.09343	1.8
169.10156	10.9
171.08032	2.5
171.11736	7.7
173.05904	1.4
173.09615	3.2
173.13205	2.8
174.96909	3.2
175.11145	2.9
175.14836	2.1
177.12762	3.2
179.08612	3.0
180.09323	1.7
181.10117	7.2
183.11748	9.2
185.09628	3.2
185.13211	5.9
187.11200	2.8
187.14841	2.3
189.12817	2.5
191.08809	1.4
191.10661	1.8
193.10162	3.8
195.11700	7.9
197.09630	2.2
197.13206	4.7
197.70567	1.2
199.11182	1.7
199.14734	2.2
201.12689	1.9
203.14232	1.3
205.10120	1.4
207.11703	2.8
209.13220	3.7
211.11176	1.5
211.14822	3.1
213.12781	3.8
213.16342	1.5
215.14311	4.2
217.15933	2.4
221.13271	7.8
223.11195	1.4
223.14790	4.2
225.12737	2.4
235.14848	3.2
237.16545	1.6
239.14299	4.6
241.15981	2.4
249.16489	1.7
251.14232	2.1
253.15866	2.6
253.44458	1.2
255.17509	2.0
257.15408	3.8
267.17538	2.1
269.08145	1.4
271.16870	2.2
285.18719	1.7
285.21902	1.3
305.22537	2.5
315.20407	1.5
323.20071	1.6
323.23749	3.4
333.22073	11.3
341.24835	6.7
351.23184	32.0
352.23685	1.9
357.14999	1.5
369.24228	22.5
387.25232	13.1
415.28574	2.1
425.26773	9.4
433.29251	2.2
443.27951	100.0
444.28094	4.2
461.29001	61.7
462.29419	1.6
501.50647	1.4
537.21857	1.3
541.13483	1.3
605.32379	2.3
623.33942	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	777.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.9
69.03447	2.3
70.06598	3.2
70.84673	5.1
71.04996	3.3
72.08173	3.6
80.44421	2.1
81.07066	2.0
83.05003	3.7
83.08628	4.6
85.02905	6.0
91.05502	2.9
93.07021	2.6
95.04974	100.0
97.02890	3.0
99.04462	21.0
105.07014	2.4
109.10168	3.6
128.89565	1.8
133.10146	8.0
147.04417	2.9
151.11192	7.1
152.05666	3.5
153.09108	31.2
167.14372	4.4
173.13301	5.8
179.35617	2.0
191.14380	4.7
193.15994	2.4
209.15373	88.5
210.15756	3.0
227.16425	2.4
336.92542	2.0
458.90869	2.0
540.80261	2.2
663.39600	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	779.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05514	1.5
57.03444	1.8
57.07074	0.6
59.05017	0.4
61.02932	4.4
61.03224	0.6
61.46957	0.3
67.05501	4.9
67.81455	0.3
69.03434	2.8
69.07066	1.1
70.60952	0.8
71.04991	1.3
71.08632	0.4
71.54150	0.4
73.02917	3.6
73.17712	0.3
79.05495	3.2
81.03417	2.8
81.07059	5.2
83.08626	0.6
85.02908	5.3
85.06562	0.4
87.04478	0.8
91.03965	2.8
91.05489	3.0
93.07040	3.8
95.04982	0.5
95.08612	3.6
97.02902	3.8
99.04478	0.9
101.02387	1.5
103.03943	0.6
103.08710	0.6
105.07021	2.3
106.89362	0.4
107.08610	1.7
109.02901	1.0
109.10172	1.6
115.03970	0.4
117.07021	0.5
119.08597	1.2
121.10138	2.2
123.11688	0.5
127.03982	1.2
131.08601	1.2
133.08673	0.4
133.10138	0.9
135.11714	0.7
139.04932	0.4
145.10129	0.5
147.11743	1.0
149.09689	0.6
173.13278	0.4
175.11285	0.4
185.04227	0.5
193.12254	0.8
225.14838	0.4
229.14491	0.5
233.11523	0.4
243.08420	2.4
283.15201	4.1
301.71872	0.4
324.09128	0.4
335.25961	0.6
338.27927	0.5
432.33344	0.4
501.23074	5.1
519.29224	7.1
537.56030	0.4
549.74939	0.4
774.43579	0.5
779.45477	100.0
780.45630	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	776.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	4.0
57.03436	2.6
57.07080	73.4
59.05006	11.2
60.42808	0.7
67.05508	8.7
68.05840	1.0
69.03415	1.1
69.07070	3.3
69.69791	4.1
71.05003	0.9
71.08636	45.8
73.02907	1.8
73.06570	3.6
79.05497	5.7
80.05822	1.6
81.03418	11.3
81.07063	8.2
82.03757	2.1
82.07391	2.2
83.04993	0.9
83.08618	4.9
85.06559	0.9
85.10191	38.9
87.04477	18.0
89.06039	100.0
91.05491	4.4
91.07588	1.1
92.05802	1.0
93.07050	4.7
94.07405	1.0
95.04987	3.6
95.08617	3.9
97.02888	1.0
97.10178	1.9
99.11729	6.8
103.07601	6.2
105.07048	3.5
107.07082	2.6
107.08610	3.1
108.08982	0.8
109.06577	1.0
109.10168	2.4
110.10520	0.9
111.08121	1.1
113.13319	2.1
117.07014	1.0
117.09158	5.0
119.08611	2.8
120.08961	0.8
121.06503	0.8
121.10184	1.8
122.10498	0.9
123.11743	0.8
125.09659	0.7
129.06978	1.0
130.08629	1.8
131.07069	5.7
131.08562	1.8
131.10657	0.8
133.08612	75.1
135.11734	0.9
137.09451	0.8
143.67177	0.8
145.10197	0.9
147.11717	1.9
155.17953	2.2
161.11743	1.1
175.09694	5.8
177.11241	29.8
193.12350	1.7
213.22179	4.0
219.12329	1.3
221.13795	4.4
222.49931	0.7
227.12683	1.0
257.24786	3.5
261.22043	1.0
265.16666	1.1
267.15875	4.5
268.16339	5.3
269.16583	2.9
283.17529	2.4
299.14838	1.1
327.20212	1.1
335.25784	3.6
336.26144	5.2
337.26639	3.8
353.21677	1.1
385.32703	0.8
454.34192	1.1
503.30496	1.7
527.37756	1.1
528.37952	1.7
529.38245	4.8
545.38782	1.0
546.38281	1.2
547.33130	2.9
547.39417	2.6
582.98792	0.8
776.57336	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	776.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.4
57.03435	1.5
57.07078	69.0
59.05008	11.1
67.05507	5.7
67.23055	0.6
68.05845	0.9
69.03418	1.2
69.07063	3.0
69.79582	1.7
69.79994	1.9
71.05003	0.9
71.08633	46.9
73.02930	0.9
73.06567	5.9
79.05505	4.3
80.05830	1.0
81.03426	6.7
81.07066	5.6
82.03761	1.9
82.07389	0.9
83.08608	4.0
85.09662	1.1
85.10182	38.7
87.04474	17.7
89.06035	100.0
90.01860	0.6
91.05485	2.7
92.05865	0.8
93.07054	4.5
94.07375	1.4
95.04986	2.9
95.08625	4.4
96.08945	1.6
97.10181	1.9
98.20811	1.3
99.11732	5.5
103.07581	6.3
105.07030	3.2
107.07056	3.5
107.08595	2.5
108.08878	0.9
109.10148	1.7
113.06017	0.8
113.13310	2.3
117.07029	0.6
117.09151	4.5
119.08575	1.8
120.08936	0.7
121.10172	2.3
122.10383	0.7
129.07005	1.0
130.08672	2.2
131.07034	7.0
131.08574	1.4
133.08606	72.8
135.10066	0.8
135.11668	0.9
145.10150	1.0
147.11693	0.8
149.09778	0.9
149.13286	0.9
151.09727	0.7
155.17950	3.7
157.10117	1.1
159.11732	0.8
161.11780	1.0
175.09711	5.5
177.11232	26.4
177.19913	0.6
193.12282	1.1
213.22105	4.6
214.90845	0.7
219.12354	1.9
221.13824	5.6
239.14824	1.4
257.24792	3.7
265.16693	1.1
267.15918	4.5
268.16278	4.4
269.16519	1.6
283.17542	0.9
327.20285	1.7
335.25992	2.6
336.25967	3.5
337.26697	2.8
353.21619	0.7
380.77228	0.7
405.36325	0.7
432.69894	0.7
503.30777	1.1
527.37231	1.2
528.37616	1.5
529.38184	4.0
542.71674	0.7
546.38898	1.8
547.32349	4.3
759.55341	1.0
776.58112	3.7
790.15802	0.7
799.26318	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.1
55.05516	45.5
55.05784	2.2
56.05837	1.5
57.03440	16.5
57.07078	3.2
59.05001	2.9
61.02931	3.3
65.03935	4.1
66.91060	1.3
67.05510	100.0
68.05841	1.5
69.03429	4.5
69.07079	20.2
69.84780	6.8
71.01367	2.1
71.04990	4.6
73.02898	1.3
79.05500	55.5
81.03413	8.8
81.07063	61.3
83.04978	6.9
83.08624	17.8
85.02907	15.9
85.06538	4.3
87.04459	6.0
87.26450	1.2
91.03954	2.4
91.05486	31.1
92.05810	1.3
93.07053	50.8
95.04995	9.0
95.05526	1.8
95.08612	43.2
97.02889	5.2
97.06532	4.4
97.10185	22.5
103.03947	1.6
105.04450	1.4
105.07039	15.9
107.04946	2.5
107.08601	33.3
109.06536	3.9
109.10165	51.0
111.04462	1.3
111.08098	2.4
117.07021	8.3
119.08591	19.5
121.06487	1.6
121.10159	21.1
123.08118	1.9
123.11713	5.1
125.09637	25.9
127.03873	1.5
129.07019	3.1
131.08588	10.9
133.10149	10.0
135.08112	1.6
135.11690	11.8
137.09613	3.1
137.13260	1.7
143.08565	2.0
143.10690	4.3
145.06349	1.2
145.10138	12.7
147.08044	2.3
147.11717	8.6
149.09627	2.8
149.13266	5.5
150.13675	1.2
151.11165	1.6
153.12759	2.6
155.10667	2.6
157.10172	2.6
159.11725	8.0
161.13274	5.5
163.11250	6.8
163.12419	1.2
163.14799	2.5
171.11749	2.3
173.09637	1.5
173.10338	1.7
173.11751	16.5
173.13272	4.3
175.11243	1.6
175.14827	2.2
181.12256	1.7
185.13283	1.5
187.14824	2.2
189.11234	1.7
191.10635	2.9
193.12283	4.3
196.28519	1.1
197.13309	1.3
198.82849	1.2
199.13310	11.5
209.11769	5.4
217.14398	2.4
227.12863	6.4
229.14369	43.0
241.19582	1.4
243.21114	4.9
245.13783	2.3
259.20602	1.7
261.22183	16.5
267.15906	3.7
277.21707	1.5
283.15384	3.3
289.21600	1.6
294.90866	1.4
299.14874	2.7
299.23718	1.4
300.15295	2.4
301.16510	20.2
315.23282	1.8
317.24963	3.0
319.17590	1.4
327.23093	1.8
335.25833	76.8
336.26242	4.6
337.26602	1.6
445.29645	1.8
459.34518	1.5
469.32935	1.9
477.35883	11.2
489.35764	12.9
506.43127	1.3
525.35095	1.3
527.03809	1.5
543.36847	4.3
561.37842	11.9
579.38959	2.9
748.02667	1.4
776.41559	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	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.9
55.05514	43.4
55.13393	1.1
56.61577	1.1
57.03175	1.8
57.03437	16.3
57.07063	3.4
57.89999	0.9
59.04993	3.7
61.02920	3.5
65.03931	3.6
67.05508	100.0
69.03454	5.6
69.07069	16.7
71.01369	1.5
71.04980	2.8
73.02930	1.2
79.05499	42.8
81.03416	8.5
81.07061	62.0
83.04967	4.6
83.08196	1.5
83.08627	15.1
85.02911	16.8
85.06538	3.2
87.04480	6.3
91.03935	1.3
91.04966	1.9
91.05489	26.1
93.06474	2.2
93.07050	43.0
93.07631	2.5
94.07370	1.4
95.05000	5.5
95.08610	43.3
95.76532	1.0
97.02912	5.2
97.06515	4.1
97.10180	20.2
99.04488	1.1
99.08076	1.4
103.03947	1.4
105.07032	17.1
107.04926	1.3
107.08598	26.6
109.06514	3.5
109.10162	53.1
111.08073	2.3
113.12653	1.1
117.07014	4.6
119.08586	13.8
121.06527	2.6
121.10142	19.3
123.08092	2.3
123.11731	5.7
125.09650	21.0
129.07004	2.0
131.08594	10.6
133.10114	9.2
135.11697	12.9
137.09621	3.7
137.13239	1.4
139.11159	2.5
143.08539	1.8
143.10690	3.5
145.10138	9.8
147.11694	6.6
149.09732	1.3
149.13261	4.9
155.10614	3.1
157.10185	1.1
159.11684	6.4
161.13254	3.8
163.11182	4.9
163.14871	3.1
165.12807	1.3
171.11685	2.6
173.11728	15.4
173.13257	5.5
175.14845	2.0
181.12273	1.3
183.11673	1.3
187.14883	1.4
189.11195	1.2
193.12189	2.3
199.13295	10.9
209.11713	2.3
215.17879	1.5
217.14366	1.3
219.47775	1.1
227.12836	6.8
229.14366	49.8
243.21060	3.9
245.13927	2.5
257.13785	1.4
257.33047	1.1
259.20718	1.6
261.22134	13.0
267.15942	3.2
283.15402	2.4
289.21463	1.8
300.14932	1.2
301.16431	14.5
317.24561	1.3
319.17267	1.3
335.25818	64.1
336.26035	2.4
345.24115	1.6
350.16962	1.1
363.25400	2.0
459.34549	2.3
477.35861	9.1
489.35806	14.6
500.25107	1.1
543.37292	2.4
561.37640	7.5
579.38885	1.5
580.03284	1.1
585.66779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.9
55.05513	55.3
57.03440	17.1
57.07067	5.0
59.04990	5.0
59.17797	1.2
61.02923	3.4
65.03931	4.7
67.05507	100.0
69.03419	4.3
69.07067	22.6
69.50630	11.3
71.01357	2.7
71.04993	4.6
71.08641	2.5
79.05492	52.7
81.03426	7.7
81.07059	67.9
83.04977	7.3
83.08626	19.2
85.02907	20.4
85.06532	4.2
85.10149	1.7
87.04480	11.9
89.06039	2.4
91.05481	26.6
93.07047	51.2
95.04957	7.6
95.08609	45.2
97.02882	5.0
97.06532	6.6
97.10175	28.8
98.09709	2.3
103.03939	1.6
105.07033	16.0
107.04968	2.1
107.08593	32.5
109.06483	2.3
109.10159	55.0
111.08072	4.4
115.05514	1.5
117.07023	7.2
119.08576	18.1
121.10151	22.3
123.08086	3.2
123.11720	3.0
125.09632	27.3
129.06979	3.3
131.08560	12.3
133.08615	2.6
133.10114	8.6
135.08044	1.9
135.11690	13.1
137.09631	2.0
139.11172	2.4
143.08620	2.7
143.10667	6.0
145.10114	11.8
147.11687	7.5
149.09621	3.6
149.13255	6.2
155.10678	2.3
157.10139	2.5
159.11690	5.8
161.13274	4.4
163.11171	5.7
163.14786	2.3
167.16385	1.7
169.10124	1.6
171.11713	1.5
173.09570	1.5
173.11739	14.1
173.13307	5.0
175.11223	2.9
175.14816	2.3
187.14864	2.3
189.11189	2.5
191.10649	2.3
193.12254	1.8
199.13269	10.6
201.16441	2.0
203.12775	2.7
209.11720	3.6
217.14265	2.5
227.12798	10.4
229.14375	39.6
241.14423	1.9
243.21129	4.3
245.13918	4.6
259.20499	2.2
261.22150	12.3
267.16003	4.6
277.21585	2.0
289.21475	1.8
299.14841	4.3
301.16458	19.4
317.24792	3.9
319.17450	1.9
333.24210	2.0
335.25824	58.8
336.25983	2.5
337.27356	3.5
363.25342	2.8
477.36105	8.7
489.35754	10.5
494.40680	1.6
543.36505	4.4
561.37946	8.5
579.38666	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	776.479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.5
55.05515	46.5
57.03444	17.6
57.07056	4.3
59.04985	4.5
65.03919	2.6
67.05511	100.0
69.03420	4.5
69.07072	19.4
71.01364	2.0
71.04997	2.8
71.08627	1.6
71.55676	1.5
71.70895	1.7
73.92552	1.3
79.05499	50.9
79.05960	2.8
81.03404	6.5
81.07060	61.7
82.07367	1.3
83.04958	4.8
83.08627	17.4
85.02900	12.8
85.06538	3.2
87.04485	7.1
89.06016	2.2
91.04961	2.7
91.05488	27.0
93.06483	2.2
93.07053	40.5
95.04969	7.4
95.08611	44.0
97.02893	3.7
97.06517	4.8
97.10176	19.0
99.08115	1.9
105.07040	15.5
107.04935	3.7
107.08605	31.6
109.06515	2.6
109.09464	2.9
109.10166	45.2
111.08070	2.3
116.73445	1.7
117.07017	7.3
119.08588	15.9
121.10167	18.0
123.08110	2.6
123.11692	3.3
125.08897	1.8
125.09647	19.8
131.08589	11.8
133.08548	2.3
133.10176	8.8
135.11667	14.5
137.09680	1.7
139.11174	2.9
145.10126	13.3
147.11726	8.1
149.09657	1.8
149.13258	6.4
153.12700	3.2
157.10187	3.2
159.11707	4.3
161.13219	4.1
163.11186	8.5
163.14877	1.8
173.11725	12.0
173.13251	5.3
175.14865	2.0
185.13200	3.0
187.14838	2.8
189.11180	2.0
193.12283	1.7
199.13318	9.5
199.14929	2.2
201.16438	1.8
209.11746	3.3
211.13217	2.1
217.14313	2.9
227.12851	7.8
229.14365	30.4
243.20952	3.8
261.22180	12.6
267.15964	3.2
277.21548	2.0
283.15353	1.6
301.16534	15.5
307.86395	1.5
327.22784	1.7
335.03818	1.5
335.25824	63.1
336.26071	2.8
451.31668	1.9
459.34558	2.3
477.35800	10.1
489.35727	13.1
543.37250	3.4
561.37756	5.8
579.38672	5.7
769.99493	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05472	0.5
57.03448	2.8
57.59017	0.3
61.02922	1.6
68.99770	0.4
69.03404	1.4
70.06574	0.8
71.04997	13.5
71.29040	0.6
72.08135	0.5
73.02898	0.7
75.04452	0.7
81.03403	0.9
83.04970	1.1
85.02910	18.4
86.09686	0.4
87.25963	0.3
91.03912	0.5
91.05481	0.4
95.04451	0.4
95.04976	4.8
97.02889	2.5
99.04432	0.4
109.02859	0.4
111.00809	0.7
111.04430	0.6
119.04910	0.6
121.02861	1.7
122.06026	0.3
123.04433	28.6
124.04749	0.5
127.03934	1.8
129.05493	3.8
135.04395	0.3
137.01358	0.6
137.02353	6.9
137.03348	0.5
137.05975	0.4
145.04959	0.6
147.04457	2.3
147.06485	0.8
149.02309	0.7
153.01843	3.0
163.03957	1.6
165.01839	1.8
165.05470	3.6
175.03752	0.3
177.05499	0.6
179.03363	0.3
181.01251	0.3
191.03297	0.5
201.05537	0.5
203.03398	0.6
205.01273	1.1
211.03883	0.4
213.05496	0.6
217.01338	1.1
229.04971	3.2
231.03009	0.5
239.03194	0.4
241.04958	0.4
247.06079	0.5
253.04982	0.5
257.04492	3.3
264.25534	0.4
271.06015	0.4
274.04758	0.7
275.05478	0.6
281.04385	0.6
285.03922	1.6
299.05475	1.1
303.05008	82.3
304.05313	2.7
305.03082	0.5
309.03873	0.4
309.11349	0.4
327.05060	0.7
329.02893	3.4
329.06628	3.3
331.04489	1.8
345.06146	0.7
347.03937	4.6
355.04449	5.4
365.06415	0.7
373.05643	1.3
379.08102	0.6
407.07648	17.5
408.08017	1.0
421.09421	0.4
449.08685	10.8
450.08862	0.5
465.10120	0.4
467.09756	100.0
468.10089	4.2
512.71423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.6
55.05518	21.1
57.03441	20.6
57.07058	3.0
57.27184	1.6
57.54915	1.5
62.72224	1.4
65.03934	2.9
67.05509	74.2
69.03420	2.7
69.07079	16.9
69.12601	1.7
69.31219	2.4
69.31614	13.8
70.28324	1.8
71.04992	4.7
76.06535	1.6
77.03976	1.6
79.05065	3.3
79.05500	53.8
81.03423	100.0
81.06583	3.3
81.07063	66.9
83.04974	7.3
83.08627	24.0
85.02888	2.2
85.06535	2.8
86.68216	1.4
91.05484	38.1
93.06474	3.2
93.07050	57.0
95.04974	32.7
95.08617	49.5
97.02876	4.0
97.06516	3.9
97.10160	7.7
99.08107	1.7
105.07029	30.4
107.04980	8.5
107.08591	31.0
109.06500	6.3
109.10166	22.3
111.04372	1.7
111.08086	9.4
115.05435	3.0
117.07024	6.6
119.08583	24.8
121.06517	6.8
121.10139	22.2
123.04472	2.2
123.08060	2.8
123.11713	6.4
125.09630	5.4
129.07005	11.4
131.08580	20.0
132.68225	1.8
133.06485	4.8
133.10153	16.6
135.08121	1.8
135.11705	11.9
137.09650	2.4
142.07817	2.0
143.08560	3.3
145.10103	10.6
147.08047	3.4
147.11714	12.9
149.09622	5.8
149.13255	7.6
157.10124	11.0
159.11699	10.5
161.13275	6.9
163.11162	2.4
163.14844	4.0
165.12744	3.2
169.10112	3.0
171.11598	3.0
173.13254	7.7
175.11188	8.9
177.16190	2.0
185.13263	2.0
187.14748	3.2
189.11203	4.0
193.12280	23.6
205.31027	1.8
211.13133	2.8
227.12762	6.3
235.13347	3.7
243.21133	5.3
259.20596	2.4
261.22147	20.3
267.15924	98.3
276.20410	2.1
301.25168	5.4
317.24728	6.6
335.25818	93.6
336.26163	1.8
417.26077	1.8
421.25497	2.3
435.27084	2.2
435.32477	5.9
453.33466	8.8
471.34497	3.8
495.82718	1.9
509.36264	3.3
527.37335	62.2
528.37195	3.1
545.30536	3.2
545.38409	40.5
546.37952	2.6
569.38727	4.1
573.11426	1.9
577.40210	2.8
664.72894	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	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.0
55.05272	2.9
55.05514	32.9
57.03444	12.7
57.07075	6.2
61.02924	15.2
65.03928	5.9
67.05506	100.0
69.03422	7.9
69.07068	28.0
71.04990	4.6
73.02901	6.3
79.05495	69.6
81.03399	9.2
81.07058	91.2
83.04956	3.2
83.08624	13.6
85.02912	12.5
85.06527	6.3
91.03960	5.4
91.05480	72.9
93.07047	82.9
95.04950	9.3
95.08609	67.7
97.02869	8.2
97.06543	4.1
97.10175	6.0
99.08080	4.6
101.02379	2.3
105.07034	68.1
107.08591	50.1
109.06526	2.7
109.10156	29.2
111.08051	2.9
115.05461	2.2
116.06207	2.6
117.07006	24.5
119.08583	58.5
121.06426	2.3
121.10140	34.7
123.08051	4.5
123.11647	6.4
125.09601	2.9
128.06180	3.5
129.06993	15.4
131.08578	41.1
133.10135	47.8
135.08104	4.2
135.11681	25.9
137.09605	3.6
139.11200	2.4
141.07016	4.9
143.08586	17.8
145.10123	35.1
147.08063	2.4
147.11707	36.4
149.13266	15.4
155.08533	8.6
157.10136	18.1
159.11690	31.0
161.09607	4.3
161.13258	27.8
162.01550	2.3
163.11157	2.9
163.14780	6.2
167.08542	2.8
169.10146	9.8
171.11699	20.6
173.13284	19.0
175.14815	13.9
181.10182	2.8
183.11711	8.3
185.13249	16.7
187.14838	9.1
189.12750	2.7
195.11729	5.1
197.13292	7.7
199.14856	12.5
201.16367	4.2
209.13161	2.7
211.14951	3.6
213.16412	5.6
215.17897	2.6
225.16447	4.3
227.14598	2.6
229.15875	2.3
231.21182	2.8
239.17989	3.5
241.19540	22.9
243.21249	5.4
257.19083	11.2
259.20581	52.4
261.22147	9.4
275.20230	3.3
300.99863	2.2
301.21619	4.5
313.21497	2.6
315.23428	2.6
333.24268	36.2
334.24451	2.8
335.25793	77.2
336.25958	3.4
351.25162	3.0
367.22711	3.3
385.23511	2.4
403.25189	2.3
431.80118	2.8
519.41949	5.2
541.38788	2.7
593.45398	9.9
611.46716	92.4
612.46527	5.2
626.37854	2.4
635.46198	3.8
701.47919	4.4
719.48358	3.6
755.50409	4.1
773.51324	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.2
55.05259	3.6
55.05506	35.6
57.03434	16.3
57.07065	9.6
59.04994	2.5
61.02934	16.6
62.44983	2.8
65.03936	5.0
67.05506	95.9
67.19807	2.6
69.03413	12.4
69.07072	30.3
69.27197	28.5
71.04977	4.0
71.08623	3.0
73.02900	8.8
79.05495	80.4
81.03414	12.1
81.07060	90.1
81.84283	3.1
83.04966	7.4
83.08603	12.2
85.02899	12.6
85.06561	3.6
85.10169	2.9
91.03938	8.0
91.05480	61.9
93.07049	82.1
95.04967	10.9
95.08607	64.6
97.02893	15.0
97.06548	9.0
97.10176	5.3
105.07030	65.5
107.08589	43.8
109.10151	25.6
115.05462	4.5
117.07038	22.9
119.08586	62.6
121.10145	35.7
123.08047	5.8
123.11694	9.7
127.03886	3.7
128.06223	4.1
129.07004	21.1
130.07767	3.2
130.63588	3.2
131.08569	42.9
133.10130	42.8
135.11693	23.9
138.49675	3.4
141.06956	4.4
143.08554	23.6
145.10139	34.4
146.10475	3.1
147.11678	36.9
149.09605	3.9
149.13246	12.7
155.08575	6.6
157.10114	21.0
159.11691	31.6
161.09583	4.3
161.13245	31.6
163.14809	8.1
167.08524	3.8
169.10144	9.3
171.11703	18.4
173.13261	23.4
175.14874	13.5
181.10083	4.1
183.11671	7.1
185.13219	15.5
185.44070	2.9
187.14812	8.5
189.12680	4.5
195.11630	4.9
197.13261	6.4
199.11137	3.3
199.14799	10.5
209.13293	4.4
211.14771	4.3
213.16460	3.4
225.16302	4.1
231.21210	4.0
241.19601	22.2
243.21147	4.1
257.18951	12.5
259.20566	44.5
261.22174	9.0
269.18896	3.1
271.20706	4.9
275.20071	4.2
301.21625	4.1
322.56332	2.8
333.24261	28.2
335.25815	66.7
367.22452	6.3
375.14249	3.3
385.23685	3.5
519.41479	4.4
593.45459	9.5
609.44476	4.9
611.46698	100.0
612.46979	6.2
633.26129	3.2
689.47906	3.7
701.47418	4.7
719.48285	6.7
755.49969	5.7
773.51410	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	773.2133
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01860	0.4
55.05502	0.2
57.03435	1.3
58.99549	0.2
61.02904	0.4
66.62357	0.2
68.99772	0.5
69.03435	1.6
69.07023	0.2
70.06556	0.6
70.37931	0.1
71.01283	0.1
71.04995	6.7
71.54719	0.3
72.08167	1.2
73.02894	0.3
75.04461	0.3
76.02197	0.5
79.05470	0.2
81.03415	1.3
81.07006	0.2
81.41829	0.1
83.04945	0.6
84.04487	0.2
84.08129	0.4
85.02907	11.6
85.42259	0.1
87.04459	0.3
91.05464	0.3
93.03386	0.2
95.04953	0.4
95.08569	0.1
96.04490	0.1
97.02895	2.0
99.04424	0.4
105.06969	0.2
107.04926	0.2
109.02881	0.9
111.00822	0.9
111.04403	0.4
119.04865	0.3
121.02859	0.8
121.06471	0.2
123.04429	0.2
127.03930	1.8
129.05495	2.1
130.04999	0.2
135.04381	0.2
137.01357	0.2
137.02348	2.6
138.02690	0.1
145.04956	1.3
145.06093	0.2
147.04469	0.3
147.06482	0.6
149.02347	0.4
153.01834	2.7
161.05914	0.3
162.02136	0.2
163.03888	0.6
165.01842	1.7
166.02629	0.3
173.05962	0.2
177.05482	0.4
179.04834	0.4
183.02872	0.9
187.03911	0.2
193.12245	0.3
201.05518	1.2
205.04630	0.2
219.06514	0.3
228.04149	0.2
229.04961	3.6
247.06010	0.7
257.04434	2.2
274.04703	0.5
285.03949	1.3
285.17084	0.3
301.09866	0.2
303.04993	100.0
304.05325	2.5
308.09128	0.8
309.09357	0.4
315.04977	0.5
315.13385	0.2
345.05960	0.7
369.06082	0.3
378.22824	0.2
447.09290	0.2
449.10605	0.7
465.10297	22.1
466.10577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2134
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
54.47424	0.2
57.03444	1.6
60.26410	0.2
61.02929	1.5
68.99792	0.4
69.03429	0.6
69.56491	0.7
69.56918	0.8
71.04996	7.7
73.02898	0.6
75.04468	0.5
78.90742	0.2
81.03407	0.7
83.04990	0.5
84.04494	0.3
85.02912	11.5
87.04453	0.3
91.03944	0.8
97.02886	1.3
109.02858	0.5
111.00787	0.7
111.04454	0.3
121.02858	0.8
127.03928	0.8
129.05495	2.8
130.05103	0.3
134.37987	0.2
137.02347	2.4
145.04948	0.5
147.06528	0.8
147.07591	0.2
149.02354	0.5
149.40530	0.2
153.01816	2.7
163.03925	0.4
165.01851	1.7
166.49458	0.2
183.02956	0.8
186.45135	0.2
187.04108	0.2
201.05519	0.9
205.04997	0.4
219.06573	0.4
221.66696	0.2
229.05011	3.2
247.06023	0.9
257.04471	2.2
274.04837	0.6
275.05191	0.3
278.27557	0.2
285.03995	1.2
303.05005	100.0
304.05386	2.8
315.04865	0.3
345.05930	0.5
465.10300	22.1
466.10510	0.8
488.45609	0.2
628.05048	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2134
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01865	0.3
55.05493	0.2
57.03437	1.4
61.02911	0.5
68.99773	0.2
69.03439	1.3
70.06574	0.5
70.14922	0.4
70.15318	0.4
71.01342	0.2
71.04998	6.5
72.08152	1.2
72.74474	0.2
73.02906	0.4
75.04447	0.3
76.02201	0.5
81.03417	1.6
83.04955	0.7
84.04502	0.3
84.08136	0.2
85.02909	10.9
86.03209	0.2
86.09719	0.2
87.04457	0.5
91.03945	0.2
91.05441	0.3
93.03371	0.2
95.04945	0.5
97.02899	2.1
97.06544	0.2
99.04415	0.4
105.06976	0.2
107.04909	0.2
107.08617	0.2
109.02845	0.7
111.00803	0.9
111.04411	0.5
119.04885	0.2
121.02838	0.8
123.04388	0.2
127.03923	1.9
129.05490	2.1
131.08543	0.2
133.10080	0.2
137.02339	2.4
137.05952	0.2
145.04959	1.3
147.04333	0.3
147.06487	0.7
149.02296	0.5
153.01840	2.5
158.99712	0.2
162.02177	0.4
163.03909	0.8
165.01831	1.8
173.05888	0.3
177.05411	0.3
179.03407	0.2
183.02878	0.8
183.04405	0.3
191.03548	0.2
193.12247	0.2
201.05493	1.1
213.05579	0.2
229.04985	3.6
247.06049	0.6
257.04471	2.6
274.04605	0.8
285.03958	1.0
303.04999	100.0
304.05341	2.9
308.09073	0.7
309.09253	0.2
315.04956	0.5
327.04868	0.3
345.06171	0.7
413.18762	0.2
446.64120	0.2
449.10715	0.6
465.10306	25.4
466.10901	1.1
475.17316	0.3
637.22400	0.3
717.85681	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	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	1.3
55.02013	0.6
55.05401	8.2
55.05703	3.2
57.03323	3.1
57.03633	1.0
57.06981	1.4
57.07244	1.1
61.02808	12.7
61.03161	4.0
65.03864	0.9
67.05381	16.9
67.05789	4.7
68.63552	0.6
69.03304	6.1
69.03707	1.4
69.06940	8.4
69.07350	2.1
69.39674	2.1
69.40102	2.8
71.01260	1.2
71.04865	2.4
71.08541	0.8
73.02790	6.5
73.03241	1.2
79.05360	15.6
79.05880	2.7
81.03281	4.8
81.03789	1.5
81.06919	19.6
81.07453	3.3
83.04845	2.0
83.05297	0.8
83.08475	4.1
85.02766	10.7
85.03342	1.7
85.06429	1.4
87.04342	1.0
91.03810	6.0
91.05338	14.1
91.05952	1.5
93.06892	13.7
93.07539	1.8
95.04822	2.3
95.08458	16.3
95.09132	2.0
97.02739	11.2
97.03419	1.5
97.06389	2.2
97.06950	0.7
97.10013	3.3
99.04317	1.1
101.02262	1.5
103.05348	0.7
105.06873	13.0
105.07650	1.4
107.04818	1.6
107.08440	10.6
107.09222	0.8
109.02769	1.3
109.06389	1.3
109.09998	8.2
111.08016	0.8
115.03800	1.3
115.05318	1.5
117.06857	8.4
118.05592	0.7
119.08414	12.6
120.08746	0.6
121.06370	0.6
121.09980	6.7
121.10938	1.3
123.07934	0.9
123.11528	2.3
125.09543	1.5
127.03750	2.3
128.06050	3.4
129.05377	0.7
129.06830	9.1
131.08388	13.3
133.09952	8.8
135.07927	1.2
135.11520	3.5
137.13155	0.7
141.06975	4.8
142.07599	1.9
143.08569	13.1
144.09196	0.9
145.10135	12.3
147.11696	5.7
149.02184	0.8
149.09453	0.6
149.13084	2.3
153.06886	1.5
154.07597	1.7
155.08569	10.1
156.09203	1.2
157.10141	11.2
159.07956	0.7
159.11674	9.1
161.09433	0.8
161.13055	3.2
161.14345	1.1
163.14757	0.6
165.06892	1.5
166.07617	0.9
167.08571	5.1
168.09169	1.2
169.10138	12.8
171.11679	12.2
173.13246	5.5
175.14697	2.3
179.08366	1.8
180.09200	1.1
181.10136	6.3
182.10791	1.7
183.11711	11.6
185.13264	7.6
187.11037	0.8
187.14809	3.5
189.16299	1.2
192.09309	0.9
193.04744	0.7
193.09970	2.7
194.10695	0.6
195.11720	7.6
196.12079	0.6
197.13278	10.3
198.13551	0.7
199.14832	5.4
201.16243	1.5
205.09947	1.1
207.11638	3.0
208.12181	0.8
209.13268	8.0
211.14854	6.3
213.16406	3.3
215.14323	0.7
219.11530	1.2
221.13077	2.9
223.08536	0.6
223.14830	4.5
225.16365	3.8
227.17860	2.2
233.13110	1.2
235.14694	2.3
237.16338	3.3
239.17813	2.4
241.19466	1.5
247.14687	1.0
249.16164	1.7
251.17911	1.6
253.19531	1.3
255.17116	0.8
263.17853	0.9
265.19357	1.3
267.20673	0.8
279.20740	0.7
285.21860	0.7
323.23627	1.3
335.23206	0.8
337.25049	1.0
339.26608	0.9
349.25095	1.0
351.26773	1.2
353.24741	0.8
379.29929	1.0
381.27341	0.7
389.27951	0.8
423.32208	0.7
447.32291	0.8
461.34290	1.2
467.34732	0.8
499.39716	1.4
501.35471	0.9
515.38239	1.0
517.40521	5.9
525.35822	0.8
535.41821	3.1
539.37585	1.6
541.38751	0.8
553.38721	1.0
567.40424	1.0
573.42889	1.5
591.43872	8.3
592.45477	0.8
607.43500	3.3
609.45135	100.0
610.45544	6.7
621.45319	1.3
633.44818	1.3
651.45618	1.4
717.46692	1.6
735.48364	1.2
753.49304	2.2
771.50409	22.4
772.49774	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75090	0.6
55.01868	2.0
55.05259	1.1
55.05511	11.8
55.83473	0.7
57.03440	6.3
57.07076	1.7
61.02647	1.3
61.02930	18.1
63.87257	0.7
65.03962	1.6
67.05509	23.0
69.03433	8.7
69.03770	1.2
69.07069	11.1
69.95156	2.0
69.95565	1.4
71.04984	1.7
73.02917	8.6
75.56993	0.7
79.05495	15.8
79.69630	0.7
81.03422	3.6
81.07060	23.1
83.04996	1.0
83.08607	6.5
85.02912	13.0
85.06551	1.2
91.03970	7.6
91.05482	14.5
91.40520	0.7
93.07042	16.4
95.04991	1.6
95.08611	18.9
97.02906	12.1
97.06543	2.4
97.10175	2.8
99.04483	2.0
101.02396	2.5
103.05492	0.8
103.18994	0.7
105.07036	13.9
107.04974	0.9
107.08598	11.6
109.02870	1.5
109.06492	1.5
109.10171	6.8
111.08086	1.1
115.05442	1.3
117.07019	7.5
119.08588	13.5
121.10151	8.3
123.11737	2.0
127.03923	3.1
128.06252	2.8
129.05545	0.9
129.07016	10.8
130.07761	0.9
131.08577	12.5
133.10141	8.6
135.11710	4.8
137.09570	0.7
137.13266	0.8
139.11288	0.7
141.06979	4.9
142.07808	3.1
143.08559	12.1
144.09175	0.8
145.04900	0.9
145.10114	13.2
147.11702	5.6
149.13289	1.9
154.07785	1.8
155.08569	11.1
156.09361	1.6
157.10136	12.7
159.07971	0.9
159.11702	8.8
161.13306	3.0
163.14848	1.6
165.07034	1.6
167.08597	5.1
168.09337	1.5
169.10130	13.7
171.11703	9.9
172.12384	0.9
173.13283	4.6
175.14885	2.1
178.07857	0.8
179.08592	1.8
180.09406	1.1
181.10120	6.6
182.10861	1.3
183.11700	12.9
185.13246	10.0
187.14757	3.4
189.16422	0.9
193.10191	2.9
195.11713	7.8
196.12540	1.2
197.13286	8.9
199.14850	4.4
201.13156	0.7
201.16386	1.2
207.11771	2.9
209.13275	5.9
211.14847	6.6
213.16452	3.2
215.18028	1.0
219.11723	2.0
221.13266	2.6
223.14766	4.3
225.16447	4.5
227.18130	1.4
233.13185	1.2
235.14928	2.4
237.16394	3.3
239.17996	2.4
241.17780	0.9
241.19891	0.9
247.14966	1.3
249.16429	1.6
251.18011	1.8
253.19693	1.7
255.21333	0.7
263.18118	1.0
265.19562	1.1
279.21194	1.0
283.20419	0.8
285.22205	0.9
303.21103	1.0
309.22244	1.6
311.23691	1.6
321.22296	1.4
323.23618	1.2
325.25168	0.8
337.25253	1.9
341.24930	0.9
351.27109	1.7
365.24725	1.0
377.28500	1.1
423.32544	0.9
435.32446	1.0
447.32639	1.1
475.34930	1.3
499.39865	0.9
517.40588	6.6
527.37616	0.9
535.41492	2.7
539.37408	3.0
541.38916	1.4
573.43420	1.1
591.44031	6.8
607.43274	2.2
609.45166	100.0
610.45404	7.3
611.46478	0.9
621.45398	1.7
651.46588	1.0
735.48407	1.1
753.48975	2.4
771.50293	21.6
772.50354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57739	2.3
55.01867	2.4
55.05518	14.6
57.03434	6.7
61.02933	15.8
67.05511	31.6
69.03426	9.9
69.07087	11.5
69.95145	9.2
71.04990	4.3
73.02922	8.3
74.77853	1.9
79.05500	25.3
79.41475	1.9
81.03424	8.1
81.07064	27.7
83.08613	7.8
83.14411	1.9
84.36839	2.1
85.02910	15.7
85.82064	2.1
91.03967	6.1
91.05483	18.2
93.07052	19.5
95.04971	2.3
95.08614	22.9
97.02914	14.1
97.10169	5.6
101.02362	2.7
105.07053	19.6
107.08586	12.2
109.02876	3.0
109.06537	2.5
109.10166	8.2
115.05432	3.7
117.07040	10.3
119.08615	13.8
121.10189	10.2
123.11745	2.7
127.03867	2.9
128.06198	4.9
129.07019	11.0
130.07794	2.1
131.08560	16.4
133.10104	10.3
135.11705	4.9
141.06970	2.6
142.07764	2.6
143.08557	11.5
145.10155	16.1
147.11714	10.3
153.06958	2.4
155.08597	10.8
157.10132	16.4
158.10805	1.9
159.11722	12.1
161.13295	3.7
167.08577	5.5
169.07677	1.8
169.10168	14.2
171.11728	10.3
173.13313	7.3
181.10124	9.4
183.11685	13.7
185.11798	1.8
185.13268	9.2
187.14786	2.3
193.10147	2.2
195.10101	1.9
195.11726	7.0
197.11731	2.2
197.13194	9.9
199.14833	7.8
205.10268	2.3
207.11732	3.1
208.12560	2.0
209.13231	6.5
211.14861	5.5
213.16304	4.2
221.13367	3.2
223.14922	4.5
225.16440	5.4
227.17947	2.5
230.16286	1.9
235.14676	1.9
239.17828	2.7
271.82291	1.9
309.21841	2.5
335.26007	2.6
470.05396	2.1
517.40472	6.5
591.43805	6.6
604.25592	2.0
609.45184	100.0
610.45807	4.0
753.49524	4.2
771.50464	31.0
784.18555	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	763.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.05516	1.6
57.03433	2.5
57.07071	1.2
59.06116	1.6
61.02930	3.8
67.05510	7.3
69.03432	2.8
69.07083	2.1
71.04989	3.3
71.56384	1.4
73.02914	3.3
79.05506	3.9
81.03426	1.1
81.07063	8.4
83.04974	1.3
85.02886	4.4
91.03968	3.2
91.05493	3.4
93.07040	3.6
95.08617	4.2
97.02910	4.2
101.07031	0.9
105.07050	1.8
107.08613	2.7
109.02918	1.6
109.10172	3.0
118.53240	0.9
119.08599	1.5
121.10168	1.5
127.03889	1.6
131.08571	1.5
133.10126	2.7
135.11722	1.6
147.04440	1.8
149.13185	1.3
159.11771	1.8
243.08409	1.7
257.17532	1.2
267.15753	1.7
333.14960	2.0
400.37628	1.0
400.42685	1.0
439.38416	1.0
485.23718	7.6
519.29407	4.0
548.40283	1.1
566.41754	1.2
676.86951	1.0
740.79645	1.1
763.46002	100.0
764.46283	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	770.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	13.8
55.05514	31.2
57.03445	7.9
61.02918	3.7
67.05167	7.0
67.05509	86.0
69.03419	6.6
69.07071	31.0
70.06574	4.6
71.05011	6.0
71.56459	6.7
72.08149	8.8
74.87560	3.7
79.05501	100.0
81.03422	15.0
81.07067	82.3
83.04996	24.0
83.08629	15.0
85.02915	8.6
86.09740	7.1
91.05488	80.8
93.07053	87.9
95.04969	24.6
95.08607	39.7
97.02857	5.6
97.06541	13.6
97.10163	10.0
99.08065	4.9
105.07045	62.1
107.04966	11.9
107.08605	42.3
109.06542	10.7
109.10172	19.6
111.08066	6.8
115.05454	4.9
117.07056	20.8
119.08595	42.1
121.06560	6.1
121.10158	19.8
123.08093	6.1
123.11765	4.7
125.09588	5.9
127.03932	5.4
129.07002	19.3
131.08560	15.3
133.10146	31.6
135.08118	5.5
135.11676	8.6
136.23630	3.6
143.08574	12.2
145.10107	22.4
147.11700	32.0
149.09650	10.9
149.13277	5.5
157.10304	3.8
159.11714	13.4
161.09668	6.7
161.13272	11.8
163.11209	8.7
169.10190	4.1
171.11739	22.3
173.13307	5.8
177.12804	5.0
187.11113	4.8
189.12741	12.1
207.13904	20.1
227.12837	11.8
253.14275	3.9
255.15910	4.3
257.19009	8.5
269.17505	15.6
275.20151	23.2
278.67456	4.4
281.17529	69.2
308.60339	3.9
349.23798	24.0
461.29224	23.6
475.30603	99.7
555.36707	42.7
573.37634	6.7
619.33112	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01891	1.6
62.81521	1.2
65.03925	2.2
65.54842	1.3
67.05499	3.5
69.03434	2.6
69.07066	1.5
69.29099	11.9
70.06591	5.4
70.75697	1.3
71.05019	1.4
72.08156	3.4
76.86947	1.3
79.05492	6.4
80.05000	2.3
81.03416	2.0
81.07059	3.4
84.08183	1.9
85.02895	2.1
89.03905	2.6
91.05477	7.0
93.07056	5.8
94.06551	8.6
95.04977	3.6
95.08620	2.2
96.08141	1.4
97.02910	4.8
98.21538	3.0
99.04446	1.3
100.60084	1.4
102.66750	1.2
103.05473	5.1
105.05762	1.2
105.07016	3.7
106.06570	1.8
107.04884	1.3
107.08607	3.0
108.04494	2.9
108.08134	8.1
109.02927	2.0
109.10149	2.8
111.04496	1.5
115.05408	1.6
116.04993	4.9
118.06535	1.9
118.39185	1.3
119.08566	1.8
120.04484	8.0
120.08112	27.0
121.10156	1.3
122.06042	17.2
123.04453	1.7
124.07601	4.5
127.03942	2.3
127.96603	1.3
131.04924	2.1
133.10152	2.6
134.06035	4.3
136.07591	18.9
136.70624	1.2
137.05995	3.8
138.05518	2.0
138.09210	1.6
143.08583	1.2
144.04474	7.3
145.02940	1.3
145.04904	2.7
145.10132	1.9
146.06036	10.5
147.04399	4.1
148.07574	42.4
152.07103	2.2
153.05443	6.4
160.03973	2.5
160.07579	3.7
161.06047	1.5
162.05490	5.0
163.03941	2.6
164.07085	4.7
166.08600	2.5
167.07066	8.4
172.03938	31.0
173.04404	1.6
174.05501	3.6
175.07573	1.9
176.07057	1.9
178.25882	1.4
185.10800	2.3
186.05547	2.9
187.07449	1.6
190.04999	26.1
197.08519	1.4
197.10675	3.0
201.10327	1.9
204.06572	52.4
205.06911	1.9
207.09273	2.1
208.09843	2.0
209.10728	1.7
211.08716	3.5
212.09425	1.7
213.10233	8.3
214.10831	2.2
215.11760	2.3
223.08621	2.2
223.12367	2.9
224.09344	2.0
225.10291	3.4
226.08646	2.7
226.10974	1.5
227.11870	3.9
235.08626	2.2
236.09473	4.9
237.10217	6.3
238.10995	4.7
239.11806	4.2
241.09897	6.8
243.11311	24.6
249.10335	2.9
250.11140	1.5
251.11928	7.1
252.08719	5.6
253.09659	2.2
253.13254	2.3
255.11331	6.2
256.12091	1.3
257.12946	1.6
263.08273	1.6
264.09052	7.0
265.09723	4.8
267.11380	1.6
269.09366	7.1
271.10800	3.5
273.12421	4.4
274.13104	2.2
277.09637	2.9
278.10571	3.0
279.11304	21.6
281.12900	3.8
283.10709	7.6
284.11627	1.7
285.12347	24.5
287.10324	14.0
287.13324	1.8
288.11313	1.7
295.10663	2.6
297.12451	6.2
301.12039	3.8
302.13052	3.0
303.13394	40.7
307.10794	14.3
309.12088	2.9
311.13580	1.3
313.11850	3.4
314.16617	2.2
315.13626	2.8
316.10956	2.2
316.14471	3.3
318.16171	2.3
323.10309	9.9
325.11853	6.6
327.11905	1.3
328.11099	1.7
328.14676	2.0
329.11426	2.4
330.12320	3.4
330.15964	2.1
331.13159	2.0
337.11917	2.1
339.13269	17.5
341.13870	4.9
342.12344	1.9
342.16211	1.7
344.14063	4.8
345.14505	1.6
346.11642	1.4
346.15616	5.1
347.16458	1.4
351.12195	2.5
353.14294	1.9
354.12180	1.7
354.16208	1.7
355.13516	1.9
356.13754	1.5
357.15302	2.6
358.15701	8.7
359.12622	5.0
360.17300	1.8
367.12982	4.3
368.14127	2.7
370.11624	2.9
370.15695	3.1
371.12607	3.0
372.13403	4.0
374.14978	3.3
381.10663	6.9
383.12146	1.7
385.14175	7.1
386.15094	12.6
387.15524	5.7
388.12555	1.5
392.15948	2.1
396.13574	1.9
399.15598	1.6
400.16937	2.1
402.14508	4.2
404.16080	11.5
406.17581	5.3
411.11835	27.5
413.14001	4.4
414.14496	15.5
415.15311	21.2
416.15808	4.4
418.17596	3.3
420.15472	4.6
421.64355	1.4
428.16144	2.5
429.12991	2.3
430.17569	5.0
432.15485	20.1
433.16217	2.1
438.16077	3.7
443.14401	11.3
444.15341	4.0
446.17178	3.7
456.15314	8.1
462.16602	10.4
474.16602	33.5
475.16702	1.5
479.33139	1.4
506.18942	6.5
511.22363	1.8
516.17126	1.9
539.22839	1.5
581.24066	8.6
591.22369	2.8
609.23334	20.1
625.26367	2.6
627.24622	20.5
641.26080	2.2
651.23969	3.1
669.25507	22.9
671.23419	7.1
695.23206	9.4
713.24542	100.0
714.25366	9.4
745.26489	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.8
55.01870	3.4
55.05498	1.4
57.03441	5.2
61.02936	4.7
65.03933	0.8
67.05494	1.7
68.99788	2.4
69.03436	26.8
69.07076	0.7
69.33196	4.8
70.06608	2.5
71.01350	2.2
71.05003	3.2
72.08163	0.9
73.02929	4.7
79.05489	2.8
81.03420	16.3
81.07050	1.9
83.01333	1.0
83.04977	2.2
83.25191	0.5
85.02911	40.6
87.00832	5.1
87.04472	2.5
91.03945	0.7
91.05486	5.2
93.07039	1.5
93.99409	0.6
94.06580	0.6
95.04955	2.0
95.08613	1.5
97.02899	19.9
97.06522	0.6
98.20736	1.1
99.04456	5.9
101.02361	1.1
103.03942	2.4
103.05489	0.9
105.01885	4.4
105.07023	2.0
107.04930	1.6
107.08575	1.2
109.02890	15.3
109.10154	0.9
110.03664	1.1
111.04443	1.5
113.02448	0.5
114.19220	0.5
115.03919	1.0
115.05494	1.3
116.06209	0.7
117.01838	0.8
117.07019	1.7
119.04945	1.7
119.08565	1.5
121.10083	0.9
123.04436	1.2
125.02335	0.7
125.05977	2.1
127.03924	24.8
128.06244	1.1
129.01851	1.8
129.05498	0.8
129.07036	2.7
131.04947	1.8
131.08607	2.4
133.02855	1.2
133.06477	0.6
133.10201	0.9
135.04376	0.6
135.11697	0.9
137.05966	1.7
138.03128	7.0
141.05576	0.6
141.06973	0.8
142.07719	1.2
143.08583	1.1
144.05721	1.8
145.04962	8.3
145.06474	2.0
145.10132	1.7
147.02921	2.7
147.04407	8.3
148.03270	0.5
149.05960	0.7
151.03891	1.2
153.05476	95.5
154.05864	1.2
157.06508	0.8
157.10107	1.7
159.02905	6.5
159.04401	2.0
159.08070	4.2
160.05051	0.5
161.06000	1.2
161.08136	0.6
161.09560	0.7
163.03922	0.9
165.05492	1.1
167.07043	2.1
167.08397	0.5
170.07285	1.3
171.04375	0.7
171.08051	1.3
172.05214	0.7
173.05983	12.1
173.09615	0.7
175.07593	1.0
177.05533	1.9
179.07051	4.0
181.05028	0.6
185.05949	2.5
185.09665	3.3
186.06786	2.2
187.07558	62.4
188.08313	14.1
189.03928	2.1
189.09093	3.1
191.07059	1.0
195.06630	0.9
198.06781	3.1
199.07544	6.6
201.09125	64.2
202.09515	1.2
203.10675	2.7
205.08693	0.6
211.07603	1.9
213.03918	1.1
213.09120	18.2
225.09242	0.9
227.10553	1.0
229.08551	5.1
231.04987	6.1
247.09689	2.2
249.05910	1.1
289.08691	0.6
295.09927	0.7
320.10724	0.6
321.11163	0.7
335.12866	1.0
339.12534	0.9
353.13840	100.0
354.14203	3.5
365.14163	0.9
367.15387	6.9
377.13876	3.7
391.14014	1.2
395.14886	6.8
407.15088	0.8
409.16586	1.0
419.14944	0.9
461.15781	1.2
497.18439	0.6
511.19733	1.0
515.19604	1.0
521.18634	0.6
539.18799	1.7
557.20154	1.8
565.17334	0.8
583.18219	2.1
601.19232	12.4
602.19580	0.8
763.24377	21.0
764.24939	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00326	0.7
55.05515	1.4
57.03419	0.9
57.07079	53.4
59.05003	13.0
63.20610	0.7
67.05510	1.0
69.07064	1.9
69.53739	4.9
70.21775	0.6
71.08635	46.8
73.02918	2.1
73.06558	5.0
80.54408	0.7
81.03429	0.9
81.07057	0.7
83.08614	1.3
85.09657	1.0
85.10188	42.2
87.04470	18.0
89.06036	100.0
90.06392	1.2
95.04968	1.0
97.10190	1.1
99.11740	4.8
103.07578	5.5
106.08517	0.6
107.07080	2.2
113.06026	1.1
117.09132	5.1
120.77825	0.8
123.93819	0.7
130.08643	2.5
131.07037	5.8
133.08607	69.6
135.10248	0.9
141.16403	3.7
175.09641	4.4
177.11243	24.4
199.20587	5.1
203.00827	0.6
221.13840	5.5
239.14911	1.6
243.23245	3.6
265.16522	1.1
283.17560	2.2
309.19095	0.9
327.20193	1.1
346.82016	0.6
543.95099	0.7
547.32953	5.1
724.35358	0.7
745.53339	1.0
762.39191	1.2
762.55249	2.5
763.41699	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.4
57.03428	1.8
57.07078	100.0
59.05003	32.0
67.05509	1.8
69.07059	2.9
69.49819	8.1
71.08635	69.1
79.05490	1.5
81.07070	3.1
83.08620	3.8
84.48583	1.2
85.10187	59.8
87.04465	8.4
89.06036	48.9
89.06526	1.0
90.61794	1.1
93.07059	1.2
94.85316	1.1
95.08601	1.5
97.10164	2.9
98.20782	2.5
99.11735	10.2
101.09673	1.6
103.07578	1.5
113.13284	4.1
116.72784	1.1
117.09148	11.4
131.07002	2.6
133.08611	37.0
154.57451	1.1
155.17963	8.0
175.09714	2.3
177.11218	12.6
184.07321	3.6
213.22150	16.2
237.46861	1.2
271.26370	17.5
283.17377	1.9
371.22598	1.4
415.25375	5.8
561.21478	1.3
570.96283	1.3
571.47235	3.5
581.17999	1.4
606.04871	1.2
760.40674	7.7
760.57184	2.5
761.41583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.5
53.58883	1.1
55.01879	7.9
55.05514	7.5
57.03427	4.5
57.07066	1.9
61.02934	7.5
64.25951	1.3
67.05506	10.0
68.99783	2.8
69.03081	1.8
69.03434	29.4
69.07075	15.4
70.06596	10.2
71.04990	7.4
71.47540	2.2
73.02909	7.9
76.41074	1.2
79.05502	17.3
81.02984	2.2
81.03427	33.0
81.07066	33.3
81.57272	1.2
83.04970	2.0
83.08633	6.8
84.08140	3.3
85.02911	73.5
87.00834	29.3
87.04467	1.9
91.03952	2.8
91.05479	10.6
93.07046	19.6
95.04970	3.4
95.08614	36.0
97.02897	46.7
97.06550	7.1
97.10171	5.0
99.04459	14.8
99.08113	2.4
105.01877	31.9
105.07037	38.9
107.04942	3.5
107.08597	29.4
108.04471	1.7
109.02891	44.6
109.06532	2.1
109.10162	26.5
110.96634	1.6
111.04462	2.1
111.08055	1.3
111.11727	4.0
115.03937	1.2
117.01797	1.7
117.06977	2.2
119.08588	32.7
121.06500	1.2
121.10149	33.6
123.08070	2.7
123.11723	9.5
125.05997	19.3
125.09619	1.5
127.03927	62.1
127.07524	1.3
127.09605	1.1
129.01840	4.2
131.08580	14.7
133.06447	1.5
133.09245	0.9
133.10132	21.4
135.08031	2.2
135.11681	13.7
137.05966	3.8
137.13266	3.8
139.07617	1.8
139.11194	1.7
141.09142	1.6
143.08577	3.3
145.04955	21.7
145.10127	24.8
147.02892	3.2
147.04407	2.6
147.08073	4.2
147.11696	20.8
149.13287	13.3
151.07565	3.5
153.05489	4.2
155.08540	2.7
155.10672	1.4
157.10164	8.4
159.02885	11.6
159.08116	2.9
159.11713	14.3
161.09644	3.3
161.13255	10.1
163.03929	2.3
163.11266	1.7
163.14812	4.7
165.09045	1.7
169.10107	3.7
171.11726	7.2
173.09602	2.4
173.13261	18.4
175.11151	5.3
175.14796	8.8
177.16368	3.9
179.07025	1.7
179.10683	3.4
180.08691	1.9
181.86273	1.3
183.11673	4.2
185.11693	1.3
185.13286	2.7
187.07645	2.2
187.11275	1.6
187.14804	8.8
189.12711	2.0
189.16400	14.9
193.12314	6.0
197.13271	5.4
201.09108	1.6
201.12723	4.9
201.14539	1.3
201.16391	2.5
203.14374	2.3
205.12300	2.4
207.13803	5.9
211.14809	3.6
213.04007	9.7
215.14360	3.3
219.13797	5.3
221.15393	1.3
227.17961	6.7
229.19501	8.5
231.05029	17.8
233.15378	3.3
243.21088	29.0
244.21465	1.3
249.06039	4.7
253.07047	1.6
253.19531	15.0
271.20581	33.5
272.20850	1.4
281.18939	1.4
289.21634	45.2
290.22119	1.7
299.20142	7.2
317.21133	100.0
318.21475	3.1
335.22192	30.4
353.13715	1.8
420.83792	1.5
451.19528	2.0
453.93924	1.4
461.25220	2.0
483.23639	1.6
503.26868	1.4
511.23096	1.7
519.25812	9.4
529.24170	5.0
547.25403	40.7
565.26459	55.6
566.26892	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	760.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01872	4.8
55.05514	22.0
57.03439	20.5
57.07053	2.9
61.02914	2.4
65.03928	2.6
67.05508	69.9
69.03418	5.5
69.07072	20.2
70.52505	6.1
71.04995	4.6
71.24800	1.9
72.16464	2.0
73.02905	2.8
77.17056	2.0
79.05494	47.4
81.03421	100.0
81.07062	66.8
83.04967	8.5
83.08624	22.7
85.02902	5.6
85.06533	4.5
86.03233	2.0
87.04449	2.5
91.04965	3.3
91.05483	39.4
93.07048	53.5
94.07424	2.9
95.04977	33.2
95.08609	43.3
97.02890	5.1
97.06522	5.5
97.10175	8.7
98.09697	2.5
105.07026	31.7
107.04962	6.7
107.08600	32.5
109.02950	2.2
109.06514	7.7
109.10143	19.8
111.04392	2.2
111.08080	8.6
117.07039	9.7
119.04925	1.9
119.08591	26.2
121.06506	5.1
121.10136	24.5
123.04468	2.3
123.08057	3.1
123.11689	7.8
125.09617	3.0
129.07013	12.3
131.08568	18.0
133.06467	3.8
133.10121	14.2
135.11708	13.2
137.09610	3.9
137.13229	2.1
142.07768	2.5
143.08574	3.9
145.10135	11.4
147.08029	5.9
147.11696	13.2
149.09642	4.7
149.13243	7.6
157.10117	12.8
159.11690	8.3
161.13272	6.4
163.11162	3.3
163.14824	5.2
165.12727	4.4
171.11710	3.8
173.13249	6.9
175.11208	8.0
175.14804	2.6
183.11690	2.0
187.14798	3.5
189.11165	3.8
193.12250	31.7
216.52864	1.9
227.12778	8.3
235.13222	5.4
243.21101	6.4
261.22238	14.4
267.15927	89.5
273.21976	2.4
285.16974	5.7
287.18622	1.9
301.14328	3.7
309.17044	6.0
335.25809	73.7
336.26135	3.3
435.27100	2.8
435.32626	5.0
445.24005	2.4
453.33633	7.2
457.97287	2.0
466.21954	2.7
471.34256	3.5
527.37335	50.6
528.37695	3.8
545.38489	35.5
563.39105	2.4
760.43243	49.3
761.41064	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	760.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01857	7.1
55.05270	3.3
55.05515	49.4
57.03200	2.1
57.03448	17.0
57.07079	2.5
59.04995	4.4
61.02679	1.7
61.02932	17.1
67.05508	100.0
69.03425	8.8
69.07063	13.5
71.04980	5.7
71.55936	2.3
72.08135	3.9
73.02896	8.3
75.04471	2.5
79.05497	28.9
81.03439	13.0
81.07061	31.4
83.01331	2.2
83.04988	16.2
83.08625	20.4
85.02422	3.1
85.02906	37.5
85.06543	3.2
87.04482	11.3
91.03954	14.2
91.05488	13.5
93.07041	16.6
95.04958	7.6
95.08609	16.2
97.02373	2.2
97.02910	18.5
97.06524	5.6
97.10173	35.8
99.04467	3.6
103.03320	2.3
103.03931	10.9
105.07029	8.1
107.04935	6.3
107.08617	21.6
109.02845	2.5
109.06513	2.0
109.10159	91.7
111.04441	7.0
111.08056	4.9
111.26048	1.9
115.03948	2.2
117.07001	4.9
119.08588	11.0
121.10137	7.1
123.08056	1.9
125.08755	3.3
125.09635	44.7
127.03897	7.8
131.08531	2.2
133.10117	2.8
135.04388	2.0
135.11674	7.9
137.09616	4.2
143.10684	8.2
145.04942	5.8
145.10107	8.4
148.07498	1.9
149.09633	2.1
153.05469	4.3
153.12785	10.6
155.10684	8.8
155.40579	1.7
163.06018	6.6
163.11186	16.4
173.04463	4.1
173.09590	4.3
173.11751	39.3
173.13182	3.5
181.12210	10.3
189.11176	4.8
191.10669	6.5
192.86975	1.7
193.59624	2.0
199.13272	10.3
209.11725	14.5
217.14351	6.9
223.62920	1.9
227.12779	21.4
229.14363	87.5
230.24821	4.3
245.13847	6.5
257.13861	25.3
283.15427	28.4
301.16443	54.6
319.17596	11.4
389.22495	1.9
441.15198	2.5
445.20074	2.5
479.42188	1.9
607.22461	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	758.505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01861	1.2
55.05267	1.0
55.05516	16.4
57.03442	7.3
57.07069	2.7
61.02918	3.3
65.03945	2.5
67.05511	69.6
69.03419	2.9
69.07069	12.6
69.31592	0.8
71.04606	1.3
71.05000	24.4
71.20668	1.2
73.06549	1.0
79.05501	38.5
79.05965	2.0
81.03425	1.1
81.07064	100.0
82.07362	1.3
83.05004	4.3
83.08628	8.8
85.02903	3.1
85.06560	9.3
87.04488	1.2
91.03976	1.1
91.05490	29.8
93.07053	44.0
95.04955	3.6
95.08614	31.1
95.09062	0.5
97.02908	2.0
97.06517	5.0
97.10173	3.2
99.04473	0.9
99.08092	1.9
105.07042	19.6
105.84079	0.9
107.08606	23.5
109.06538	2.1
109.10168	16.1
111.08059	2.3
113.09641	0.8
117.07043	5.5
119.08575	7.5
121.10157	18.5
123.08047	1.4
123.11715	13.1
125.09647	1.2
129.07072	0.9
131.08572	8.6
133.10147	21.0
135.11708	12.3
143.08568	1.6
145.10138	5.6
147.10667	0.8
147.11652	5.4
149.13268	6.8
151.11192	6.9
157.10156	1.2
159.11737	8.3
161.13249	2.7
163.14783	1.3
169.12289	1.1
171.11636	1.2
173.13295	2.7
175.14890	1.2
176.91069	0.8
177.12776	3.4
178.63297	1.0
183.13811	3.4
184.07317	2.6
185.13136	1.3
187.13274	5.2
187.14812	1.6
195.13824	2.7
227.16454	2.3
243.15929	1.4
257.17590	2.0
261.22137	2.0
269.17563	6.7
301.20114	25.4
317.24689	0.9
330.63504	0.8
335.25812	26.1
411.32413	2.3
485.36224	4.1
503.37354	97.4
504.38113	4.3
506.80734	0.9
511.37183	1.1
517.39081	4.7
529.39044	17.0
561.41547	84.9
562.41858	5.5
638.32355	1.0
758.90912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.7
53.50377	2.0
55.01874	10.4
55.05519	30.8
57.03437	15.1
57.07078	4.0
59.04988	3.7
61.02931	5.8
64.54865	1.7
65.03928	5.0
67.05511	83.6
68.05837	1.8
69.03451	3.4
69.07079	20.1
69.92532	4.0
69.92947	7.6
71.01335	4.7
71.04987	4.5
71.08616	3.1
79.05498	67.2
80.02705	2.0
81.03418	23.2
81.07064	82.1
83.01345	3.1
83.04985	21.1
83.08640	16.2
85.02911	12.1
85.06555	3.0
86.09706	2.0
91.05482	45.2
93.07047	74.3
95.04981	14.9
95.08608	54.0
96.99335	1.8
97.02904	13.7
97.06538	10.9
97.10178	4.9
98.20841	2.0
99.04459	3.9
99.08091	3.7
105.07039	29.0
107.04961	19.2
107.08601	45.7
109.02891	3.1
109.06525	7.1
109.10175	23.9
111.04472	10.6
111.08104	4.6
113.05993	2.1
117.07028	14.3
119.08586	22.9
121.06520	8.2
121.10162	32.3
123.08076	6.5
123.11715	8.1
125.06007	2.1
125.09641	3.4
127.03871	1.9
129.06998	4.8
130.07826	2.0
131.08597	16.5
133.10136	20.0
135.08090	3.4
135.11700	28.3
137.09612	5.9
143.08543	3.8
145.06493	3.1
145.10135	31.6
147.08055	5.9
147.11710	8.0
149.09639	2.5
149.13304	7.5
151.11137	1.8
153.12769	16.8
155.08582	4.1
157.10172	2.9
159.11693	10.5
161.13239	5.0
163.11203	33.0
163.14796	2.9
169.10214	2.2
171.11673	1.8
172.40457	2.0
173.09625	4.9
173.11922	1.9
173.13319	5.6
181.12273	8.3
187.14844	2.0
191.10710	15.2
209.11752	34.6
227.12823	24.7
229.14288	1.7
243.21181	4.5
259.20645	2.1
261.22156	20.9
265.14200	2.4
283.15396	54.4
284.15942	2.2
301.16479	73.4
317.24866	4.3
335.25815	100.0
336.26260	3.7
415.29837	2.3
433.30850	3.3
451.32086	9.3
469.33313	5.1
507.35098	2.1
525.35760	15.6
543.36829	67.8
544.37549	2.4
561.37885	56.2
562.38232	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	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	6.0
55.01872	8.1
55.05513	24.1
57.03194	1.6
57.03444	17.6
57.07066	3.4
61.02916	5.7
65.03935	3.5
67.05507	70.2
69.03417	4.3
69.07071	24.0
69.23994	11.5
71.01333	2.8
71.04984	5.7
77.99161	1.1
79.05496	70.1
81.03426	22.5
81.07060	69.3
83.01338	3.2
83.04993	18.2
83.08621	14.3
85.02910	12.4
85.06536	3.5
86.09689	4.4
91.05478	38.0
93.07049	72.8
94.07358	2.0
95.04976	12.4
95.08608	50.4
97.02893	10.7
97.06532	9.4
97.10157	4.7
98.21531	2.5
99.04442	2.4
99.08131	1.9
102.59107	1.2
105.04517	1.3
105.07041	28.0
107.04956	13.9
107.08600	35.5
109.06507	5.6
109.10159	22.5
111.04433	10.2
111.08080	4.9
111.11718	3.7
113.06023	1.5
116.61388	1.2
117.07034	13.6
119.08588	21.6
121.06503	4.7
121.10145	41.9
123.08055	6.4
123.11707	6.9
125.00034	2.9
125.05968	2.1
125.09665	3.0
127.03894	1.6
128.29832	1.2
129.06987	3.9
131.08578	16.7
133.10129	13.3
135.08026	3.5
135.10683	2.2
135.11690	29.4
136.40840	1.3
137.09598	3.5
139.07510	1.4
139.11162	6.3
143.08583	2.3
145.06461	1.9
145.10123	24.7
147.08044	5.0
147.11728	7.5
149.09613	2.3
149.13289	6.3
151.11281	1.3
153.12752	13.2
153.83943	1.1
155.08592	3.5
159.11667	8.5
161.13255	4.5
163.07639	1.2
163.11191	33.5
163.14807	2.0
170.55608	1.2
173.09677	7.3
173.13272	5.2
175.14851	1.5
181.12259	8.4
184.07368	14.0
185.11734	1.5
185.13261	1.3
187.14859	2.5
189.11313	1.5
191.10663	8.2
209.11729	23.3
209.13620	1.4
227.12782	19.1
241.19420	1.7
243.21063	5.9
245.13783	11.1
261.22159	13.5
264.46039	1.4
265.14395	4.0
283.15387	26.3
299.23477	2.3
301.16452	77.5
302.16760	1.8
317.24829	3.2
333.24146	1.9
335.25827	100.0
336.26279	3.6
353.15930	1.6
451.32047	3.1
469.33133	3.0
525.35968	7.0
543.36810	40.2
544.36859	2.0
561.37842	82.3
562.38269	2.7
785.53894	2.0
788.65692	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.6
55.01842	0.9
55.05481	0.8
57.03408	1.1
61.02891	1.0
65.03917	0.7
67.05481	1.1
67.18742	0.3
68.99781	0.4
69.03432	7.0
69.07056	0.7
69.22804	0.5
69.23198	2.3
70.06562	0.9
71.04965	0.8
72.08128	0.9
73.02879	1.2
78.04721	0.3
79.05462	1.1
81.03425	5.9
81.07076	1.9
83.04961	0.3
84.08095	0.4
85.02911	7.3
85.06523	0.3
85.13113	0.3
87.00847	2.3
87.04424	0.3
89.03898	1.2
91.05488	2.0
93.03381	0.3
93.07057	1.7
95.01304	0.5
95.04957	1.0
95.08614	1.6
97.02901	4.4
97.06532	0.3
98.20710	0.6
99.00800	0.6
99.04474	2.1
99.82684	0.3
102.04681	0.5
103.03914	0.7
103.05460	2.6
105.01849	0.8
105.03427	0.3
105.04522	0.3
105.07048	2.7
106.04128	0.8
107.04925	1.0
107.08579	0.9
109.02895	4.6
109.06521	0.4
109.10125	0.7
111.04415	0.4
111.08036	0.2
115.03834	0.3
115.05417	0.8
117.01836	0.3
117.03385	2.6
117.07020	0.6
118.04208	1.5
119.04922	1.0
119.08547	0.8
121.06519	2.5
121.10124	0.6
123.00781	1.0
123.04411	0.6
123.11719	0.6
125.05970	0.4
125.09548	0.3
127.03930	6.8
128.06206	0.4
129.01833	0.6
130.04137	0.7
131.04936	3.3
131.08502	0.3
132.05711	0.6
133.02831	0.4
133.06509	1.9
133.10147	0.4
134.03645	2.3
135.04352	0.7
135.11702	0.4
137.05942	0.8
139.07492	0.4
140.04713	0.3
144.05708	0.4
145.02859	2.6
145.04964	1.4
145.06462	0.7
145.10037	0.4
147.04416	1.4
148.05173	0.9
149.05992	2.7
151.03867	0.7
151.07507	0.6
152.01038	1.2
153.01807	1.0
153.05438	0.4
153.09079	0.4
154.06244	0.7
155.04919	4.8
155.06013	0.4
157.06427	0.5
159.02887	1.0
159.04305	0.4
159.11728	0.5
160.05148	0.6
161.06006	3.4
163.03920	0.6
163.07495	0.9
163.08800	0.2
165.01891	0.2
165.05460	0.3
165.09105	1.1
165.10339	0.3
167.04922	0.3
167.07056	4.6
170.02107	0.7
171.04367	1.1
172.05113	0.8
173.05946	0.4
175.03926	0.6
175.07539	0.5
176.04662	1.4
177.05467	3.1
178.06229	0.9
179.07002	0.7
181.04974	1.1
181.08603	0.8
182.09438	1.5
183.04420	3.8
184.05119	0.7
185.05916	0.8
187.05959	0.8
187.07562	1.7
189.05437	0.3
189.09100	1.3
191.07063	4.1
192.07851	1.6
193.08647	3.8
195.04797	0.5
195.06528	1.9
197.06068	0.5
200.04758	1.5
201.05574	0.6
205.12218	0.3
207.06544	0.7
209.08112	3.1
210.08871	2.4
211.03935	3.7
212.04689	1.2
213.05502	0.7
215.06932	0.4
223.03915	0.4
223.09593	1.5
225.05487	1.1
226.74789	0.3
228.04147	2.1
229.05054	0.6
230.05728	0.3
231.04889	0.5
237.11154	1.3
239.03423	4.1
240.04176	1.0
241.05032	1.5
243.06398	0.5
245.08159	0.4
249.11176	0.8
250.87354	0.3
251.03348	0.5
251.12802	0.4
253.05067	0.5
255.02965	0.6
255.06458	0.3
256.03656	8.0
256.07263	1.1
257.04218	0.5
267.02887	1.0
268.03665	1.2
269.04434	1.9
269.07535	0.2
270.05139	0.5
271.06021	76.7
272.06384	2.4
277.19055	0.3
284.07010	0.3
285.03857	0.8
285.07486	0.6
286.04654	3.1
297.04114	0.3
297.07550	0.6
299.05508	37.8
300.06250	7.9
301.07083	15.8
301.10611	0.5
302.07452	0.4
311.05444	0.9
320.72546	0.3
341.06506	1.2
355.08298	0.3
429.29846	0.6
459.10892	0.4
473.28702	0.5
479.13379	3.3
491.13370	15.5
491.29840	5.8
492.13394	0.5
509.14447	100.0
510.14804	5.6
551.15326	0.9
577.13275	0.8
617.16675	0.4
671.19513	0.6
757.19556	3.4
757.33246	0.4
757.40125	0.6
786.87402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	3.6
53.03939	2.7
55.01862	5.0
55.05513	20.2
57.03443	11.7
57.07063	3.1
59.04985	1.5
60.15066	1.2
61.02914	3.7
63.15652	1.3
65.03940	2.9
67.05506	55.0
69.03415	2.7
69.07072	13.9
71.01352	1.3
71.04979	2.5
71.17964	1.3
71.55623	1.3
73.02907	1.8
79.05496	33.1
81.03416	3.7
81.07057	53.6
83.04973	1.4
83.08620	13.3
85.02901	3.6
85.06514	1.5
88.01607	1.3
91.03933	1.7
91.05486	36.3
93.07053	41.0
95.04970	5.4
95.08612	34.5
97.02875	4.5
97.06546	4.7
97.10150	4.2
99.00809	10.7
99.04490	1.7
103.05499	1.9
105.07026	19.5
107.04948	6.2
107.08598	19.7
109.02876	11.8
109.06512	4.9
109.10152	18.9
111.08066	4.7
115.03926	2.5
115.32449	1.2
117.07033	6.9
119.08592	15.2
119.77840	1.4
121.06505	5.6
121.10158	15.2
123.04453	1.6
123.08086	2.7
123.11713	8.4
125.09585	1.6
127.03936	2.6
127.33098	1.3
128.06238	1.4
129.07072	1.6
129.39281	1.5
131.08594	7.7
133.10138	38.0
135.08089	1.5
135.11710	10.8
137.09576	1.7
138.00060	1.3
139.07501	1.6
143.08566	5.0
145.10136	7.1
147.11691	4.9
149.13237	4.7
151.11182	9.9
159.11682	5.4
161.09621	16.5
161.13258	4.3
163.11290	1.5
163.14798	4.4
171.08115	1.8
173.13252	4.6
175.14771	1.7
175.53923	1.4
179.10689	7.3
184.07414	1.3
187.14886	2.2
189.09076	8.0
196.07298	1.4
197.11794	2.3
207.10130	3.3
225.11227	16.2
243.12308	2.9
243.21118	6.1
261.22214	17.8
262.22256	1.5
281.13828	7.0
299.14908	89.1
300.15103	2.2
315.22940	2.3
317.24707	4.1
332.73822	1.7
333.24072	1.8
335.25812	100.0
336.26117	3.2
345.59912	1.3
421.30823	1.9
423.97617	1.5
439.31976	1.5
449.30423	1.4
467.31393	4.3
470.64734	1.5
485.32495	2.5
513.35687	3.3
541.35370	7.3
559.36285	49.3
560.36383	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	756.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	2.2
53.03936	4.4
55.01862	4.3
55.05513	16.1
57.03441	11.5
57.07075	2.0
59.05013	1.8
61.02920	4.0
65.03936	1.6
67.05173	2.8
67.05508	37.5
69.03429	2.0
69.07066	8.3
70.18483	1.3
71.01340	1.9
71.05002	1.6
73.02899	2.2
79.05067	2.3
79.05498	25.4
81.03425	3.5
81.07063	45.7
83.04988	3.1
83.08626	12.6
85.02908	4.0
85.06553	2.9
91.05486	27.4
93.07047	34.3
95.04967	5.2
95.08614	26.0
96.74084	1.7
97.02876	4.8
97.06522	4.5
97.10170	3.4
98.21561	1.9
99.00815	13.0
103.05453	1.7
105.07035	20.3
105.07701	2.3
107.04942	4.2
107.08596	18.9
107.60245	1.6
109.02864	7.6
109.06528	2.5
109.10175	17.3
111.04454	1.5
115.03953	1.7
117.07004	4.4
119.08562	12.9
121.06498	7.5
121.10139	12.8
123.08090	1.7
123.11696	6.9
127.03915	3.9
131.08578	6.2
133.06430	1.5
133.10135	41.8
135.11708	9.2
137.09645	1.8
137.13211	2.2
139.07503	3.3
143.08568	6.5
145.10115	3.5
147.11716	4.1
149.13242	4.7
151.11227	10.0
159.11705	3.5
161.09642	17.0
161.13286	2.7
163.11247	1.8
163.14862	3.9
163.54517	1.4
171.08130	1.8
173.13242	3.9
175.14803	2.7
179.10706	9.0
187.14865	2.2
189.09129	6.5
197.11713	2.0
207.10216	3.1
225.11211	14.0
227.12714	1.6
243.12228	3.3
243.21092	4.9
261.22165	19.2
277.21750	1.5
281.13779	4.9
299.14899	100.0
300.15280	2.4
315.23264	3.2
317.24826	4.1
335.25803	83.1
336.26157	3.1
345.96405	1.5
350.40570	1.6
449.30121	1.6
467.31705	3.4
485.32941	1.9
515.37476	1.8
541.35168	6.4
559.28473	2.6
559.36371	33.0
577.37170	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.8
55.01875	3.8
55.05515	17.7
57.03444	9.2
59.04986	1.7
61.02925	1.4
65.03944	2.4
65.21193	0.8
67.05167	2.0
67.05508	24.0
69.03424	4.8
69.07080	7.1
70.06616	5.4
71.04996	3.6
71.55036	1.1
71.55433	1.5
72.08157	1.9
73.02911	1.0
79.05499	25.7
81.03423	52.8
81.07066	22.2
83.04991	5.3
83.08631	17.0
84.08144	1.9
84.79758	1.1
85.02914	4.4
85.06544	2.0
86.09741	1.8
87.04488	1.6
91.05486	18.5
92.16046	1.0
93.07045	17.5
95.04977	21.2
95.08615	12.2
96.08106	1.7
97.02892	7.3
97.06534	3.6
97.10178	14.8
99.04445	1.7
103.05464	1.6
105.07037	14.9
107.04964	15.3
107.08597	14.4
109.02860	1.1
109.06533	9.8
109.10165	10.4
111.04466	3.3
111.08078	5.5
115.05490	2.9
117.07035	8.7
119.04969	2.8
119.08588	12.0
121.06513	11.0
121.10143	12.0
123.04452	1.9
123.08088	5.3
123.11705	2.5
125.05988	1.8
125.09643	13.3
127.03928	1.3
128.06250	1.2
129.07001	8.6
131.04890	3.1
131.08575	11.6
133.06474	3.2
133.10098	7.5
135.04434	2.0
135.08046	7.6
135.11736	4.2
137.09613	2.7
139.07532	1.1
141.07111	1.5
142.07762	1.9
143.08560	3.1
143.10677	1.4
145.06506	6.8
145.10133	5.4
147.04443	4.2
147.08043	6.2
147.11716	9.0
149.08589	1.2
149.09621	6.5
153.05505	1.2
153.09151	2.8
153.12790	2.5
155.08580	2.7
155.10551	1.3
157.06439	1.6
157.10124	8.7
158.23410	1.1
159.08055	2.9
159.11726	3.7
161.06067	1.7
161.09665	1.8
163.03880	1.6
163.11197	4.2
163.14879	1.3
165.09161	2.7
167.08543	1.5
167.10683	1.0
169.10106	2.9
171.08092	2.2
171.11711	3.4
173.09612	2.5
173.13280	1.8
175.07506	1.8
175.11151	6.6
177.05450	1.1
177.12766	1.2
181.12282	1.4
185.09668	0.9
185.13396	1.5
187.11205	1.4
187.14879	2.5
188.65030	1.0
189.11243	6.3
189.12796	2.4
191.10632	0.9
191.14354	1.2
193.12230	15.1
195.11736	1.2
197.13301	1.9
199.11220	2.5
205.12163	1.4
211.11324	1.1
211.13219	1.7
215.14333	3.2
217.12321	1.3
219.13916	2.6
223.13278	2.4
227.12750	3.6
229.14255	2.6
231.13882	1.6
233.15390	4.1
245.15311	1.6
249.14937	2.4
255.13800	2.0
267.15942	39.6
271.16760	1.2
273.14764	5.3
275.16327	1.4
283.15411	1.5
287.16406	1.1
299.09265	1.2
308.39200	1.1
339.23212	3.4
349.21689	4.7
355.15533	1.2
357.24246	1.6
367.22705	15.3
382.35678	1.1
385.23785	21.9
386.24368	1.4
403.24866	7.4
437.25891	1.3
441.26505	8.2
459.27423	100.0
460.28009	3.5
477.28506	91.0
478.28729	2.8
491.30151	9.8
501.28574	2.3
509.30905	4.5
541.33929	1.1
567.29272	1.9
585.31146	1.2
597.26593	1.1
599.11591	1.1
751.55444	1.1
756.42529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
53.13559	1.3
55.01873	1.8
55.05501	4.7
56.05032	7.1
56.77740	1.4
57.03427	5.3
57.07093	1.4
58.99591	19.1
61.02938	6.9
65.03960	2.1
67.05171	1.9
67.05515	27.4
68.05036	2.7
69.03429	5.0
69.07058	4.8
69.38411	11.8
70.06587	9.0
71.04995	3.3
72.08157	4.5
73.01142	3.1
73.02921	3.5
74.00661	1.8
75.73479	1.5
76.02234	45.8
76.04014	3.5
79.05504	16.6
79.68103	1.7
80.05044	3.3
81.03412	5.2
81.07059	30.2
82.06569	2.8
83.04988	3.8
83.06116	8.1
83.08601	8.4
84.04521	14.2
84.08131	5.0
84.45850	1.6
85.01129	3.0
85.02901	11.4
85.06530	3.3
86.00654	9.7
86.99056	6.6
87.02676	2.6
88.02229	5.4
91.03944	2.6
91.05489	16.5
93.07051	25.9
94.06568	6.1
95.04962	3.7
95.08606	10.6
96.04484	2.7
96.08156	1.5
97.01115	13.1
97.02872	7.1
97.06535	6.7
98.06059	1.6
99.02692	3.7
99.05557	2.3
99.08093	3.0
99.09346	1.3
100.02213	2.7
102.05546	7.0
103.03924	1.6
105.07018	7.9
106.06565	1.6
107.04961	3.5
107.08594	13.1
108.08109	2.8
109.02876	3.1
109.06495	2.5
109.10159	4.0
111.02677	20.9
111.08095	5.6
113.04255	2.4
114.03788	4.1
114.05550	2.4
116.01683	33.4
116.07070	2.6
117.06989	7.5
119.04972	1.7
119.08582	6.3
121.06535	1.5
121.10134	6.8
123.02677	3.9
123.11727	3.1
124.02184	1.8
126.82463	1.6
127.02099	1.6
127.03918	4.5
129.06595	12.0
129.98970	1.4
130.05017	6.6
131.08571	9.3
133.06465	1.7
133.10136	9.1
135.11703	5.3
136.03918	4.9
136.07533	1.5
137.04221	9.4
137.09575	1.8
141.04845	1.8
142.03242	10.4
143.02704	1.7
144.01161	14.3
145.06059	3.4
147.04399	5.8
147.11713	1.8
149.04207	2.2
149.13266	16.5
151.05788	4.0
151.11176	4.4
153.05559	2.3
159.11732	12.4
161.04218	2.8
162.02208	35.6
163.03856	1.7
164.07144	1.8
167.05101	1.6
167.06999	2.8
170.02701	4.3
173.13310	2.9
177.05537	2.5
177.12785	10.5
179.04858	32.4
181.06137	2.0
186.07668	2.0
187.05403	4.7
189.03293	3.5
191.08923	1.7
194.15474	2.4
195.13792	7.7
198.14983	2.2
207.12016	2.1
212.09000	1.7
212.16516	3.1
215.04857	2.9
217.10414	3.3
218.04849	2.4
218.15433	2.2
224.16501	3.1
225.13145	1.5
226.12604	2.9
233.06010	8.4
234.13057	1.9
235.11467	7.8
237.13084	1.6
243.16075	1.6
245.05943	4.2
252.14157	17.5
253.12584	4.4
268.19299	1.6
269.17480	27.2
270.15039	11.4
282.20871	1.5
298.14578	1.9
300.49289	1.6
303.05069	3.2
308.09171	8.2
312.12708	1.8
326.17859	2.8
327.17059	3.3
344.18433	9.2
354.17450	1.8
355.16876	4.4
362.19891	2.9
372.18463	1.9
373.17545	2.7
380.20752	4.4
427.19064	2.6
429.20596	25.2
430.19006	2.0
447.21625	100.0
448.21570	3.2
465.16653	2.1
465.22711	20.9
466.23071	1.7
483.21552	2.0
495.47244	1.5
501.22507	8.2
513.22656	2.7
519.23724	16.5
520.23383	2.2
555.45056	1.4
558.24365	9.8
576.25861	25.9
577.25214	2.4
594.26923	83.6
595.27368	3.2
738.30829	2.3
756.31909	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	755.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01875	1.5
55.05261	0.6
55.05513	7.3
57.03436	1.3
57.07070	0.6
59.54445	0.4
61.02934	0.8
65.03929	0.8
67.05505	4.2
68.99786	0.4
69.03436	7.0
69.07077	4.5
70.06594	1.8
70.21664	1.8
71.04990	1.5
72.08155	1.0
73.02915	1.1
73.24574	0.4
79.05471	2.2
81.03423	6.9
81.07058	5.3
83.01340	1.1
83.04987	1.1
83.08623	1.7
85.02912	6.2
85.06538	0.6
87.00836	2.7
91.05463	2.5
93.07049	4.1
94.97725	0.5
95.01348	0.7
95.04971	1.6
95.08617	4.8
97.02888	5.6
97.06522	1.0
97.10175	10.7
99.00822	2.9
99.04466	3.5
99.08119	0.6
105.01870	1.7
105.03382	0.4
105.07041	3.5
107.04958	0.5
107.08587	3.5
109.02888	5.7
109.06529	1.7
109.10162	7.0
111.08072	0.8
111.11708	0.5
117.01851	0.9
117.07027	0.7
119.08579	3.2
121.06527	0.5
121.10149	2.3
123.04428	0.6
123.08112	0.8
123.11736	1.0
125.06012	1.0
125.09628	1.9
127.03912	6.0
127.11221	0.5
129.01897	0.5
131.08588	1.3
133.06496	0.9
133.10120	2.4
135.04456	1.0
135.08052	0.8
135.11707	0.9
136.06192	4.2
137.05977	1.3
137.09608	1.8
139.07587	0.6
139.11143	0.9
143.08557	1.1
143.10692	0.8
145.02902	0.5
145.04996	0.9
145.06647	0.5
145.10162	1.4
145.45854	0.4
147.04436	1.3
147.08047	0.5
147.11720	1.8
149.02373	1.0
149.05989	1.0
149.09625	1.1
149.13261	0.8
151.07599	1.2
151.11179	0.6
153.05476	1.7
155.07030	0.7
157.10149	0.9
159.02953	1.8
159.08134	0.4
159.11719	1.3
161.05992	1.2
161.09608	0.5
161.13275	0.9
163.03920	1.6
163.07574	1.4
163.11240	0.6
165.09132	1.7
167.07085	1.4
171.08020	0.4
171.11728	0.6
173.09612	0.7
173.13380	0.4
175.07582	2.3
175.11124	0.7
175.14877	0.5
177.05515	1.8
177.09125	1.1
179.06970	0.5
179.10733	1.0
181.04990	5.6
181.06471	0.5
183.06560	3.4
183.10167	0.4
185.13327	0.5
189.09148	3.1
191.07056	1.5
191.10609	0.9
193.12407	0.6
195.06535	13.8
201.05585	0.4
203.10699	0.9
205.12216	0.6
207.06557	1.3
207.13860	0.6
209.08119	6.9
215.10873	0.6
221.08112	2.9
223.09682	8.7
229.14383	0.5
231.10223	0.8
231.13947	0.7
235.09738	1.8
235.16977	0.4
236.95824	0.4
237.11263	4.8
245.15363	0.7
247.09737	0.7
249.11279	4.2
251.12814	1.5
263.12842	1.6
265.14410	0.5
287.13062	0.5
289.14215	0.6
291.15887	3.5
303.15924	1.2
305.17453	4.7
307.19131	2.2
315.15878	1.5
317.17352	0.5
319.19080	3.0
333.17001	1.8
372.72110	0.5
471.27264	1.1
471.34204	0.7
489.28534	9.1
490.28821	0.8
500.98642	0.4
507.29575	100.0
508.29968	4.9
561.35547	0.4
723.39429	0.5
755.35425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.9
55.01873	8.5
55.05521	26.7
57.03439	10.2
65.03931	6.0
67.05511	75.0
69.07077	19.2
69.24019	14.5
69.24427	48.3
71.05022	5.2
79.05497	90.6
81.03439	12.1
81.07067	75.6
83.04988	12.6
83.08620	13.5
85.06565	6.8
91.05489	100.0
93.07056	87.0
95.04958	23.5
95.08619	54.3
97.06506	8.1
105.07044	80.5
107.04961	10.9
107.08581	34.4
109.06528	11.2
109.10154	10.0
117.07015	23.0
119.08591	73.8
121.10172	16.2
123.08102	7.8
128.06171	6.9
129.07008	20.7
131.08572	33.5
133.10129	42.8
135.11714	22.2
143.08588	21.8
145.06491	5.7
145.10136	29.7
147.11696	75.7
149.13286	7.4
157.10132	17.0
159.11736	19.8
161.09651	6.7
161.13261	35.7
171.11691	24.6
173.13268	11.0
175.14868	18.7
184.14731	5.5
185.13371	7.7
189.12775	12.1
199.27579	5.3
207.13892	15.9
241.19560	26.9
257.18991	6.1
259.20618	70.3
279.15918	28.4
281.17493	85.5
333.24567	31.1
425.04446	6.7
445.89890	6.3
465.33447	6.1
536.78436	6.0
539.37231	71.8
540.37897	8.2
557.38190	34.9
660.53961	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	754.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	12.4
55.01870	6.6
55.05518	21.0
57.03441	11.0
57.07081	5.5
67.05171	6.0
67.05511	70.4
69.07085	17.5
69.07401	3.9
70.06548	4.1
70.95883	8.8
71.05015	6.1
75.42164	3.3
78.09480	3.2
79.05499	100.0
81.03421	12.6
81.07065	60.6
83.04990	11.3
83.08618	11.5
91.05485	93.2
93.07048	88.8
95.05000	17.0
95.08613	46.7
97.02884	4.5
97.06551	8.0
97.10155	7.1
98.70042	3.5
105.04558	3.3
105.06405	2.9
105.07035	84.5
107.04962	7.8
107.08598	36.3
109.06473	5.6
109.10168	13.5
113.58360	4.2
117.07037	25.1
119.08585	61.5
121.06493	5.7
121.10146	20.6
123.08094	8.0
123.11748	4.2
129.07007	23.2
131.08586	24.8
133.10141	38.3
135.11716	15.0
137.09715	3.8
143.08617	17.9
145.10153	25.5
147.08043	6.1
147.11697	62.6
149.09631	4.5
149.13280	7.1
157.10143	7.9
159.11705	20.3
161.09584	5.1
161.13255	33.1
169.10234	4.2
171.11671	30.6
173.13269	12.1
175.14891	14.8
183.70735	3.6
185.13281	8.4
188.84177	3.3
189.12819	7.0
199.14807	7.6
207.13834	15.7
231.21259	7.9
241.19522	29.5
257.19037	5.8
259.20612	45.4
279.15945	19.3
281.17459	62.7
333.24307	40.3
421.39731	3.3
447.32681	7.0
465.33350	7.6
521.36792	4.0
539.37341	66.3
540.37476	5.6
557.38672	22.0
654.36603	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	754.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01868	2.4
55.05514	0.8
57.03442	2.9
61.02922	1.1
65.03918	0.6
67.05509	0.9
68.99789	1.7
69.03433	17.6
69.07070	4.1
69.75577	0.7
69.75991	1.5
70.06593	0.7
71.01359	0.4
71.04979	1.1
73.02914	1.3
75.04465	0.5
79.05492	2.2
81.02973	0.8
81.03420	7.6
81.07039	1.2
83.01338	0.4
83.04976	2.4
85.02911	18.1
87.00838	7.1
87.04478	2.8
90.20210	0.4
91.03941	0.6
91.05484	2.3
92.29971	0.4
93.07015	0.7
95.04978	0.9
95.08611	0.6
97.02901	14.9
97.06552	0.7
98.21444	0.6
99.04464	3.0
103.03940	0.5
103.05436	0.5
103.83205	0.4
105.01875	7.2
105.07069	2.3
107.04955	1.3
107.08611	0.5
108.04465	0.5
108.68396	0.4
109.02886	6.0
109.06517	0.7
110.03680	0.8
111.04440	1.7
115.03938	4.7
115.05449	0.6
117.01837	0.9
117.07013	1.0
119.04967	0.5
119.08589	0.8
121.06488	0.9
123.04426	2.2
125.05993	1.2
127.03928	12.1
128.06209	0.5
129.01849	1.1
129.05478	1.1
129.06982	0.4
131.04941	1.0
131.08583	0.8
133.02872	0.5
133.04973	1.6
133.06508	0.9
135.04430	2.9
137.05980	1.2
138.03127	5.1
139.03909	1.1
143.08647	0.5
145.04974	4.8
145.06570	0.9
147.03148	0.6
147.04422	6.0
147.08043	0.6
149.04930	0.4
149.05988	2.5
150.07628	1.2
151.03967	0.6
153.05473	100.0
154.05833	1.9
157.06520	1.0
157.10147	0.6
159.02911	3.3
159.04308	1.0
161.05986	4.6
163.03925	0.7
165.05496	1.8
167.07018	1.6
171.08002	0.5
173.05994	3.6
175.07532	1.2
177.05466	4.6
179.07039	3.7
185.05980	1.5
187.07545	1.1
189.04016	0.7
189.05505	2.7
191.07042	1.8
191.10693	3.9
194.08070	0.7
195.06589	0.8
197.06056	0.5
199.07564	1.2
201.05498	2.1
203.07048	2.8
203.10632	0.9
211.07419	0.4
213.03900	0.9
213.09128	0.5
215.07103	1.6
215.10652	4.6
219.06596	0.5
223.05954	1.0
225.05542	0.6
227.07039	1.5
229.12291	0.4
231.04832	2.0
231.06924	0.6
233.11719	2.5
239.06822	0.7
241.06947	0.5
243.06606	0.9
245.08064	0.8
249.05905	0.5
257.08066	1.6
257.11694	1.4
269.08133	0.5
287.12946	0.6
299.12738	0.8
301.10767	12.4
302.11050	0.4
311.09167	0.9
313.07669	0.4
313.10760	2.5
318.12299	0.4
325.10696	6.0
327.07083	1.2
343.11780	21.9
344.11984	0.6
345.08087	1.2
355.11743	0.9
357.17026	1.7
363.08908	0.6
367.11813	7.3
369.16974	1.4
379.11713	1.3
381.17038	3.3
385.12723	1.9
391.11874	0.8
397.12772	7.2
398.13159	0.6
399.18024	0.5
403.13870	0.5
409.12915	5.3
415.13687	1.3
421.14020	0.5
423.17917	1.5
427.13800	0.8
433.14972	8.2
451.13303	0.5
453.19006	0.6
457.14844	1.1
465.19467	0.9
475.15939	0.5
479.47986	0.4
495.12537	0.5
513.13879	6.1
531.14966	6.4
549.16034	3.7
573.16107	0.9
591.17438	1.0
645.18494	0.5
681.20563	1.2
784.15765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.1
55.01891	0.1
55.05508	0.1
56.42689	0.1
57.03427	0.1
61.02932	0.1
64.77018	0.1
67.05508	0.2
68.99786	0.1
69.03432	0.2
69.07057	0.2
70.06583	0.4
70.91006	0.2
72.08161	0.2
79.05492	0.4
81.03410	0.3
81.07049	0.4
83.04971	0.3
84.08188	0.1
85.02896	0.2
86.06071	0.1
90.04716	0.1
90.36722	0.1
91.05468	0.4
93.07053	0.3
95.04967	0.3
95.08621	0.2
97.02898	3.9
97.06512	0.2
98.65037	0.1
99.04460	0.2
103.05479	0.1
105.03375	0.9
105.07001	0.3
107.04958	1.5
107.08590	0.3
108.02075	0.2
109.02894	0.1
109.10155	0.3
111.04432	0.1
115.05460	0.1
118.04164	2.6
118.22224	0.1
119.08579	0.2
121.02936	0.1
121.06516	0.1
121.10157	0.2
123.04434	0.3
123.08109	0.1
127.03918	0.2
131.08604	0.2
133.02916	0.2
133.06494	0.4
133.10123	0.2
135.04419	0.2
135.11703	0.1
136.01538	0.2
137.02338	0.9
137.05946	0.2
145.06503	0.1
145.10101	0.2
147.04427	0.3
151.03929	0.1
152.06258	0.2
152.86775	0.1
153.05424	0.2
153.07013	0.1
154.02609	1.2
156.05745	0.2
157.06493	0.1
161.09554	0.1
163.03903	0.4
163.11232	0.1
164.55804	0.1
170.07268	0.3
171.08084	0.1
175.15019	0.1
180.05734	0.1
181.06474	0.7
182.07245	0.4
195.07990	0.2
197.05997	1.2
198.06734	0.9
209.06059	0.1
213.09116	5.3
217.08598	0.1
225.05493	0.7
226.06230	2.9
228.04140	0.1
232.95267	0.1
237.05470	4.4
241.08592	0.3
253.04980	3.7
254.05740	5.8
255.06277	0.1
269.08081	100.0
270.08456	2.5
517.13763	0.2
661.79834	0.1
753.37952	0.1
777.32275	0.1
780.76257	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	751.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.05513	1.1
57.61994	1.0
65.03920	1.7
67.05502	4.3
69.03429	2.4
69.07055	3.5
70.06580	4.7
70.84834	3.3
71.04972	1.2
72.08145	3.6
73.02892	1.5
79.05486	3.3
80.05026	1.5
81.03418	2.4
81.07050	3.6
82.06593	1.7
83.04967	1.2
84.08131	2.4
85.02898	4.3
85.63608	1.1
91.05473	4.3
93.05767	1.2
93.07040	3.7
94.06573	16.2
95.04973	3.4
95.08595	2.2
97.02892	5.0
97.06519	2.6
103.05450	1.6
104.18272	1.1
105.07044	3.0
106.04137	1.1
107.08595	3.0
108.08099	1.9
109.02898	1.8
109.06504	1.4
109.10126	1.1
110.06030	1.1
117.07001	1.4
118.06551	2.3
119.04943	1.9
119.08598	1.3
120.08121	1.9
121.06493	2.0
121.10164	1.4
122.06038	72.2
123.04414	1.4
124.07594	2.7
125.06071	1.2
127.03895	3.8
131.04906	2.2
131.08574	1.9
133.06546	1.3
133.10149	2.5
134.06013	2.9
135.04359	1.1
135.11880	1.0
136.07558	2.3
137.02365	1.3
137.05981	4.2
137.69125	1.1
138.05534	1.3
140.07050	2.8
144.04422	3.5
145.02866	1.7
145.05060	1.6
145.10135	2.1
146.06003	14.2
147.04353	1.8
147.06702	2.0
148.07542	4.3
149.06015	2.6
149.09576	1.5
152.07043	2.1
159.11757	1.7
160.07599	2.0
161.06041	1.3
162.05476	3.3
163.03874	2.3
163.07536	1.8
167.07085	10.0
170.09625	1.2
172.03944	21.7
173.04675	2.4
174.05522	14.7
176.07095	13.4
177.05434	2.6
181.04971	3.3
181.08578	1.6
182.05342	1.2
190.04967	5.3
191.05615	2.6
191.07083	3.8
197.10695	1.5
198.09174	2.9
199.08702	2.2
201.10258	1.8
204.06570	38.8
206.08153	4.9
208.06030	1.2
209.08141	6.2
210.08434	3.2
211.08713	3.4
212.07272	1.0
212.09349	1.6
213.10242	5.0
214.11084	1.6
215.11813	6.1
223.08618	1.4
224.09259	1.4
225.10254	4.5
226.07054	11.8
227.11806	2.5
237.10258	3.2
238.11017	2.6
239.11819	4.1
241.09663	4.0
243.11333	22.9
249.10159	2.1
251.11832	1.6
253.09592	1.3
255.11217	1.8
256.12015	2.4
258.66599	1.1
263.08331	1.6
265.09863	5.4
265.51569	1.2
266.10422	1.9
267.11295	5.9
269.09088	2.2
271.10751	3.2
273.12360	1.2
277.09708	2.4
279.11203	2.9
283.10837	7.1
284.11618	2.5
285.12326	22.5
287.10330	4.8
295.10703	2.5
297.12296	1.7
298.13132	1.6
299.10162	4.4
299.13675	1.7
301.11905	4.1
302.12573	1.8
303.13382	46.1
304.14325	4.2
311.10071	1.1
313.11786	5.1
316.10818	3.0
316.14346	1.8
317.15204	1.6
318.16046	5.4
319.16794	3.5
323.10248	3.5
325.12015	1.4
327.13327	3.3
328.14471	2.3
329.11560	2.7
330.12347	4.4
330.15927	2.4
331.13104	2.6
332.13583	1.6
332.17462	1.4
337.11456	1.4
343.13623	2.2
344.13962	3.7
344.17728	1.2
345.14847	3.4
346.15549	7.6
347.12543	2.7
347.16364	5.8
348.17203	1.7
354.12256	1.5
355.13022	1.9
356.13821	2.1
358.11667	2.7
358.15521	4.2
359.16132	1.5
360.17212	8.1
368.13791	1.6
370.11801	2.5
371.12436	5.4
372.13269	10.0
372.17358	1.5
373.14108	9.3
374.14920	6.2
376.16736	2.4
378.18234	1.8
381.10666	2.6
384.13406	1.9
385.14096	2.4
386.15063	14.0
387.15933	11.3
388.16690	9.4
390.14182	1.6
396.13504	2.0
398.14713	2.0
399.11874	39.5
400.12231	2.1
400.16943	1.6
401.13550	2.0
402.14349	4.4
403.15387	1.8
404.15854	5.4
405.16879	4.3
406.17606	8.8
407.18414	1.9
413.13959	2.2
414.14505	12.5
415.15271	22.7
416.16025	37.9
417.12549	6.3
418.18033	2.0
428.15985	3.4
429.16751	3.1
430.17746	5.5
431.14346	18.4
432.15387	4.9
433.16330	8.4
434.17093	8.3
446.17126	9.7
447.17758	3.4
449.15668	1.4
456.15460	7.2
474.16599	33.6
475.17380	16.7
476.18112	8.4
506.19125	7.4
507.19968	2.2
597.23230	2.6
615.24384	13.4
639.23804	1.9
657.25586	10.7
659.23248	2.3
683.23499	8.6
701.24561	100.0
702.24774	5.7
733.27124	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	748.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01858	2.1
55.05515	6.0
57.03446	3.2
57.07063	1.9
59.04992	1.4
60.50793	0.6
61.02913	2.7
65.03952	0.8
67.05505	10.4
68.99767	1.4
69.03078	1.2
69.03430	15.3
69.07068	8.6
70.06588	1.5
70.85014	1.7
71.04977	2.1
71.13163	0.6
72.76405	0.5
73.02917	3.1
75.38533	0.5
79.05491	5.4
81.03426	10.4
81.07063	15.5
83.04973	0.8
83.08628	5.2
85.02909	38.2
85.06582	0.7
86.09702	0.6
87.00831	18.2
87.04469	1.1
89.05994	0.8
91.05482	6.0
93.07051	15.3
95.04965	4.3
95.08612	30.0
97.02896	18.9
97.06527	1.7
97.10175	3.3
99.04458	5.0
103.05430	0.8
105.01871	31.3
105.06385	1.1
105.07042	15.4
107.04988	1.3
107.08602	23.7
109.02888	12.8
109.06528	1.6
109.10160	23.9
111.04421	1.0
111.08093	1.1
111.11731	1.1
113.06018	1.1
115.03915	0.7
117.01848	0.9
117.07011	2.3
119.08588	33.2
120.08089	1.0
120.08968	0.6
121.06509	0.7
121.10150	23.3
123.04408	1.4
123.08080	2.0
123.11708	8.9
125.05959	1.3
125.13284	0.7
127.03923	24.7
128.06232	1.1
129.01875	1.8
129.06978	1.3
131.08586	6.6
133.06435	0.7
133.10136	14.7
135.08014	0.9
135.11700	14.7
137.05978	0.8
137.09602	2.5
137.13255	2.3
139.07524	1.5
141.09099	1.0
142.07808	0.8
143.08598	3.6
144.06613	0.7
144.09349	1.4
145.04965	10.6
145.10121	14.3
146.10519	0.7
147.02914	1.2
147.04335	0.7
147.11705	14.5
149.09663	0.9
149.13266	9.8
151.07549	1.0
151.14549	0.6
155.08517	2.0
155.10638	2.1
156.09373	0.9
157.10104	3.5
159.02946	2.4
159.08054	1.0
159.11693	21.2
161.09630	2.0
161.13254	11.8
163.03966	0.9
163.11177	0.6
163.14824	13.2
169.10130	1.7
171.11713	4.1
173.09599	1.1
173.13268	10.3
175.11166	1.6
175.14799	4.7
177.16362	1.6
179.10716	0.7
180.08717	2.0
181.10056	1.4
181.12155	0.6
183.11710	1.7
185.13243	4.8
187.11200	0.7
187.14815	10.7
189.03947	0.9
189.12659	1.7
189.16422	2.3
191.10716	0.9
191.17950	2.4
193.10724	0.7
193.12279	4.5
195.11736	0.8
197.13260	2.3
197.15280	0.5
199.14825	1.9
201.12756	1.2
201.16394	6.9
203.14404	1.0
203.17976	11.2
205.12286	1.0
207.13768	7.5
209.09645	1.3
211.14836	2.1
213.04002	2.7
213.16414	1.1
215.14258	1.6
215.17996	3.6
219.05493	0.6
219.13800	2.8
221.15367	2.2
225.16344	1.4
227.17944	1.5
229.15868	1.8
231.05003	13.1
233.15414	3.8
239.17860	1.1
241.19490	2.8
243.17479	0.9
243.21037	5.4
247.16956	3.8
249.06061	11.4
255.21211	0.7
257.22650	24.8
258.23047	1.3
261.18506	2.1
267.21069	6.3
271.20517	1.0
285.22128	25.4
286.22412	1.3
301.21915	0.9
303.23196	100.0
304.23602	3.8
327.23309	1.2
371.22568	0.6
375.23138	1.3
393.24252	3.2
411.25134	1.9
429.26303	1.2
447.27219	1.4
497.25381	1.1
515.26196	2.8
533.27472	8.8
773.48663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.7
53.19549	1.2
55.01875	4.4
55.05518	13.9
56.05761	1.2
56.91316	1.1
57.03432	5.6
57.07079	6.4
59.27173	1.1
61.02922	5.6
62.54602	1.2
65.03937	2.3
67.05512	14.9
68.99792	1.5
69.03430	26.5
69.07072	40.9
69.57596	8.7
70.06591	3.9
71.04988	4.2
71.08623	1.3
72.08157	1.5
73.02912	4.0
73.70315	1.4
77.03920	1.5
79.05501	54.1
79.05966	2.7
81.03424	22.7
81.07063	61.0
83.04976	2.2
83.08636	13.6
85.02912	70.9
87.00840	35.5
90.34258	1.2
91.03954	1.4
91.05486	22.4
93.03425	1.7
93.07056	22.7
95.04967	4.4
95.08616	37.3
97.02901	40.1
97.06540	16.7
97.10184	6.4
99.04472	10.6
105.01871	78.7
105.07038	46.4
107.04958	13.0
107.08601	22.3
109.02887	29.9
109.06528	4.9
109.10161	21.9
109.22435	1.2
111.04433	4.6
111.11732	2.9
116.07117	1.9
117.01857	1.5
117.07044	4.6
119.04929	2.0
119.08586	33.5
121.06470	3.2
121.10153	11.1
123.04369	1.7
123.08091	2.1
123.11710	9.7
125.05997	74.8
125.09625	1.6
125.13278	5.8
126.06346	1.5
127.03928	52.1
128.06250	1.9
129.01862	3.6
129.07018	2.8
131.08586	14.3
133.06509	5.5
133.09111	1.9
133.10141	39.7
134.10477	1.4
135.08112	2.1
135.11723	7.3
137.06006	9.0
137.13235	4.1
139.07602	1.6
143.08546	6.4
145.04977	23.0
145.06242	1.5
145.06453	1.1
145.10135	20.2
147.02876	3.0
147.04448	2.1
147.08063	6.4
147.11702	26.2
147.48776	1.2
149.05957	1.5
149.09615	2.2
149.13254	7.2
151.07558	5.2
151.11217	1.9
151.14828	4.1
153.05472	1.3
155.08502	1.9
156.09306	2.9
157.10201	4.7
159.02908	3.2
159.08080	3.1
159.11702	10.8
161.09628	60.9
161.13237	11.2
162.07718	1.6
163.07555	1.9
163.11177	1.5
163.14818	2.3
165.09120	1.6
169.10045	2.6
171.03023	1.2
171.11699	2.8
173.09689	3.6
173.13281	11.1
175.11205	30.0
175.14815	11.7
176.11702	1.4
177.09114	2.9
177.12877	1.2
177.16324	3.0
179.10683	20.4
180.08725	1.9
183.11765	2.1
185.13303	3.7
187.11226	2.0
187.14836	8.1
189.03976	2.4
189.12703	6.5
189.16402	4.0
191.10797	3.5
193.12253	11.7
197.13272	2.7
201.12766	3.1
201.16379	10.1
203.14320	22.9
205.12221	2.7
207.13837	3.0
211.14780	2.8
213.03998	10.6
215.14345	5.2
215.17941	1.6
219.13881	7.0
221.15387	17.9
229.15906	4.3
229.19533	1.6
231.05026	35.0
233.15341	3.2
241.19640	1.4
247.17078	3.2
249.06078	24.4
257.22678	17.6
267.21155	9.8
277.10681	1.4
280.93216	1.2
285.22153	100.0
286.22522	4.4
295.11987	1.6
303.23239	14.5
350.71582	1.3
355.09921	1.4
393.24176	2.0
429.26541	1.7
451.19479	10.5
487.26990	1.7
505.27939	2.4
515.26062	2.4
533.27496	56.6
534.28040	3.2
551.28284	4.4
594.69080	1.4
606.54089	1.4
637.91064	1.3
749.18671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.2
55.01872	5.2
55.05506	14.6
57.03432	5.1
57.07080	6.7
59.04989	3.6
61.02931	6.3
64.46725	1.5
67.05511	19.7
68.99799	2.2
69.03434	24.9
69.07069	38.0
70.06606	10.0
70.06947	2.0
71.04987	5.8
71.55448	2.2
72.08151	5.0
72.94498	1.5
73.02915	2.4
79.05498	47.7
81.03429	19.8
81.07059	58.6
81.07524	3.6
83.04984	3.9
83.08630	12.1
84.08125	2.1
85.02374	3.3
85.02905	64.3
86.09729	4.1
87.00835	31.7
87.10056	1.8
89.06029	2.9
91.05484	24.2
93.07056	23.9
95.04975	6.3
95.08611	42.3
97.02898	39.1
97.06532	14.9
97.10168	5.6
98.09706	2.2
99.04472	8.4
100.11249	1.7
103.05490	2.4
105.01874	69.5
105.02576	3.9
105.07031	36.5
107.04946	9.2
107.08602	21.4
109.02879	29.2
109.06516	3.9
109.10152	22.5
111.04465	3.0
111.08098	2.9
111.11736	4.6
115.03947	1.7
116.07098	2.4
117.07022	5.1
119.04929	2.2
119.08583	30.5
121.06501	4.0
121.10155	14.8
123.04441	2.1
123.11722	9.4
125.05999	67.6
125.09624	4.0
125.13313	4.1
127.03921	51.5
128.06238	2.6
128.07124	2.1
129.01860	3.9
129.07042	2.5
130.08681	2.2
131.08603	13.8
133.06505	4.5
133.10144	36.3
135.08075	3.4
135.11720	6.2
136.12065	1.8
136.52769	1.5
137.05980	6.2
137.13225	3.1
139.11230	2.8
142.07770	1.9
143.08580	5.2
145.04970	16.2
145.10106	16.0
147.04471	2.1
147.08063	6.0
147.11726	20.8
149.09669	2.2
149.13298	5.6
151.07584	6.4
151.11235	2.6
151.14787	3.4
153.05447	6.2
155.08546	1.9
157.10147	4.0
159.02905	4.4
159.11726	12.0
159.12823	1.9
160.23653	1.6
161.09624	57.5
161.13260	9.6
163.03951	4.7
163.14787	2.8
165.09201	2.3
167.07059	3.1
169.10126	1.9
171.11719	2.7
173.09659	3.1
173.13223	8.9
175.11203	24.1
175.14812	11.8
177.09116	3.2
177.12701	1.7
177.16374	2.4
179.10667	19.8
180.08690	3.5
181.05147	1.9
181.34477	1.8
185.13354	3.5
187.14825	8.2
189.12743	5.5
189.16376	3.3
191.10542	3.0
193.12254	12.0
197.13312	1.8
201.12706	3.2
201.16405	5.6
203.14334	25.9
207.13792	4.0
211.14806	2.9
213.03940	8.3
215.14330	6.9
219.13882	5.4
221.15352	15.9
226.11043	2.0
229.15852	4.7
231.05022	30.7
233.15331	3.1
249.06078	24.0
257.22610	13.1
267.21158	8.9
285.22134	100.0
286.22418	3.4
303.23117	15.0
313.06982	3.8
355.24652	1.7
429.25919	1.9
451.19724	9.6
505.27753	2.4
515.26282	4.4
533.27454	44.7
534.27545	2.2
748.57642	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	748.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01887	3.0
65.03947	5.4
66.84747	0.5
67.05510	2.8
69.03439	1.7
70.04483	2.1
70.06583	1.3
72.08152	0.8
75.04472	2.0
77.03931	0.8
78.04707	3.2
79.05505	5.5
81.03397	1.9
81.07069	0.9
82.04198	1.4
85.02912	5.3
89.03921	0.7
89.06036	1.1
91.05489	10.8
93.03423	6.5
93.07032	2.7
95.04979	5.4
95.08607	0.7
97.02895	1.6
97.06521	2.8
101.02409	0.8
102.04662	0.9
103.05473	21.6
105.03378	2.0
105.04489	0.8
105.07028	7.9
106.04183	13.8
107.04963	10.1
109.06504	2.1
110.03675	2.4
110.43265	0.6
111.04446	1.2
114.40279	0.6
115.05477	5.1
117.03380	1.0
117.07024	4.7
118.04160	4.8
119.04948	2.3
119.08588	0.8
121.06516	17.8
122.07275	0.7
123.04437	4.8
123.08102	0.8
124.05235	2.5
125.06004	8.1
127.03925	0.8
128.06215	0.7
129.06995	1.6
130.04131	1.7
131.04941	19.6
131.08601	1.1
132.05693	2.2
133.02844	2.3
133.06493	8.1
134.01947	0.7
134.03658	3.5
135.04419	1.8
135.08092	1.9
137.05978	4.9
138.03128	1.2
138.06744	0.9
139.07538	2.6
141.06967	1.2
142.02615	1.7
143.04919	2.1
144.05704	1.7
145.06487	6.4
146.03635	1.5
147.04442	3.0
147.08017	2.8
148.05196	12.1
149.05988	26.2
150.06503	0.6
151.03888	3.1
151.07532	2.1
152.04721	2.4
153.05482	4.8
153.09119	6.6
155.07117	0.9
156.05701	0.8
157.06529	1.5
159.04424	1.2
159.08046	1.9
160.05205	1.2
161.05992	9.1
162.01331	1.8
162.03278	0.8
162.06622	0.7
163.02094	0.6
163.03891	2.8
163.07547	22.9
165.05489	1.3
165.09126	0.6
166.06334	1.0
167.07054	58.8
168.07463	0.7
171.06575	3.1
173.05992	6.7
174.06787	0.9
175.07513	4.1
176.04691	2.0
177.05478	17.6
177.09019	1.0
179.07083	1.7
181.04970	73.7
181.08534	16.2
185.06053	0.7
187.07497	3.1
189.05383	0.7
189.09026	0.6
190.00912	1.6
190.06218	0.7
191.07037	100.0
192.07567	2.1
193.04929	1.3
193.08592	3.4
195.06566	4.8
201.05470	2.2
203.07086	2.5
205.08600	3.9
207.06493	1.9
207.08289	1.0
207.10211	1.5
207.97371	0.7
208.01947	1.3
209.08096	83.0
210.08403	1.2
211.07552	0.6
217.08627	3.3
219.08165	1.5
219.10091	6.7
220.07149	0.9
221.06146	0.7
221.08040	1.3
223.04253	19.2
225.07610	1.5
229.08551	0.8
231.06380	1.2
233.08043	5.8
235.07529	2.1
235.09691	5.2
241.08591	0.9
245.08159	2.4
247.07651	0.8
252.07945	1.1
263.09177	24.3
267.10123	4.0
271.09650	0.9
279.10034	0.9
291.06360	0.7
293.07974	1.1
295.09717	1.5
297.11237	2.0
299.09048	0.6
306.08972	0.6
307.09583	0.9
312.08862	2.8
313.10593	0.7
325.10751	4.3
327.12268	1.2
329.14087	1.1
337.10748	1.4
339.12354	1.6
353.10324	1.0
355.11688	1.0
357.13272	6.8
359.14954	1.1
367.11710	2.0
369.13293	1.8
371.14673	0.8
381.13721	0.6
385.12839	12.4
387.14392	1.3
389.15756	1.2
399.14413	2.6
417.15460	15.2
609.22803	0.9
639.22589	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01869	4.1
55.87738	0.6
65.03940	6.1
66.04739	0.7
67.05510	3.0
68.99765	0.7
69.03437	2.2
70.06591	1.9
70.80562	1.7
72.08183	0.8
72.77746	0.6
74.28864	0.7
75.04497	3.2
78.04690	3.2
79.05494	6.2
81.03426	3.1
81.07068	1.5
82.04205	1.6
84.08131	1.0
85.02919	6.7
86.09757	0.8
89.03933	1.5
91.05477	13.0
93.03400	9.0
93.07053	3.5
93.65659	0.6
95.04982	6.2
95.08590	0.9
97.02884	1.9
97.06518	4.0
102.04707	0.9
103.05469	24.8
105.03394	2.6
105.04498	1.0
105.07037	8.9
106.04179	17.5
107.04955	13.3
107.08582	0.9
109.02901	1.1
109.06512	1.9
110.03682	2.3
111.04465	2.3
115.05439	5.8
117.07016	6.0
118.04182	5.8
119.04940	3.9
119.08601	1.4
120.05728	1.3
120.08082	0.6
121.02908	0.7
121.06513	17.9
122.03688	1.1
123.04420	5.4
123.08074	0.7
124.05216	2.1
125.05983	7.7
125.06759	0.9
127.03918	1.4
128.06226	1.3
128.07088	0.9
129.07018	1.3
130.04161	2.1
131.04941	22.9
131.05936	1.4
131.08594	0.7
132.05705	2.6
133.02875	2.0
133.06499	8.9
134.03653	3.7
135.04413	2.4
135.08052	2.8
137.02345	0.7
137.05986	6.5
138.03108	1.3
139.07549	2.3
142.02606	2.1
143.04926	1.6
143.06003	0.6
144.05748	1.4
145.02858	1.4
145.06503	6.8
146.03671	1.1
146.07320	0.7
147.04414	3.7
147.08063	2.6
148.05200	15.1
149.05991	32.8
149.09416	0.7
150.98994	0.6
151.02097	1.0
151.03902	3.8
151.07526	2.1
152.04745	2.0
152.61459	0.7
153.05473	5.8
153.09082	6.6
155.06017	1.0
155.07114	1.1
157.06511	1.5
159.04395	1.2
159.08064	1.9
160.05261	1.4
161.05991	12.4
161.07234	0.8
162.01384	1.9
162.06750	0.9
163.03944	2.0
163.07549	24.8
165.05486	1.4
165.09128	0.9
165.77972	0.6
167.07050	70.9
168.07446	0.9
171.06546	2.8
173.05981	7.6
175.03880	1.0
175.07545	4.6
176.04675	2.6
177.05473	25.6
177.09067	1.2
178.06300	0.6
179.07051	2.1
181.04971	80.2
181.08560	18.9
182.05424	0.9
183.06528	1.3
187.07562	4.1
189.05550	1.1
189.09117	1.5
190.00803	1.2
190.06326	1.4
191.07036	100.0
192.07559	2.6
193.04956	1.6
193.08640	3.9
195.06523	5.0
201.05473	2.7
202.06239	0.6
203.07056	3.0
205.06891	1.1
205.08548	3.7
207.06490	2.1
207.08357	1.1
207.10204	2.3
208.01929	1.5
209.08093	98.3
210.08513	1.6
217.08594	2.3
219.08133	1.5
219.10139	7.6
220.07289	1.0
221.08032	1.0
223.04236	21.2
223.07541	1.4
225.07578	1.9
231.06541	1.2
233.08072	7.3
235.07513	1.6
235.09676	6.8
237.09383	0.9
239.06935	0.7
245.08031	2.0
247.07660	0.8
251.09169	0.8
252.07803	1.9
253.08450	1.1
257.08286	0.7
263.09164	24.5
265.08563	0.8
267.10223	4.9
278.09445	0.9
281.08279	0.7
289.10794	1.0
291.06583	0.8
293.08130	0.8
295.09088	0.8
297.11172	2.0
299.09238	1.2
307.09598	2.3
309.11407	0.9
312.09003	2.7
315.05121	0.8
325.10568	4.2
329.10065	1.3
329.13699	1.1
335.09183	0.8
339.12137	1.5
355.11652	0.9
357.13345	7.8
359.14832	1.5
367.11584	3.3
369.13452	1.0
371.14648	1.3
381.12991	1.2
385.12811	15.0
387.14142	1.6
389.16141	1.0
399.14212	4.4
417.15457	17.4
430.88138	0.7
577.20380	1.2
609.22650	1.0
627.00653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	3.3
57.03432	2.1
57.07079	95.4
59.05004	44.6
67.05515	3.1
69.07064	3.2
69.62064	3.2
69.62475	5.8
71.08636	93.0
73.06564	1.4
79.05440	1.6
81.07034	1.7
83.08610	5.5
85.10189	100.0
87.04480	10.6
89.06036	69.6
93.07034	2.5
95.08595	2.3
96.02348	1.7
97.10145	2.0
99.11749	10.6
101.09651	3.8
107.07043	2.8
107.08591	1.8
117.09142	19.0
125.13241	1.6
131.07028	4.4
133.08615	50.2
133.73909	1.4
141.16426	9.1
149.65706	1.5
164.39546	1.4
175.09644	4.1
175.54657	1.4
177.11209	19.7
199.20595	18.2
221.13858	2.8
240.23276	1.5
257.24789	29.4
373.86188	1.8
415.25464	8.8
473.29141	2.5
746.55872	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	747.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59451	3.7
55.05506	12.4
56.79482	3.7
57.07080	100.0
58.04208	5.6
59.05000	33.0
67.05512	12.8
69.07070	9.2
71.08642	53.7
71.21239	6.5
72.05793	6.2
73.02918	8.1
73.06561	15.8
79.05481	5.0
81.07059	13.1
83.08614	7.8
85.10189	53.7
87.04469	20.5
89.06049	20.5
90.01910	26.2
93.07059	8.2
95.08626	9.8
99.11755	10.5
101.06011	4.2
103.07604	7.0
117.09119	24.3
121.10157	3.6
131.06978	4.7
133.08624	13.7
147.11691	5.6
155.17952	7.6
161.11647	5.8
161.93295	3.5
168.24368	3.8
177.11226	4.9
178.07147	5.5
179.13029	4.6
213.22073	10.1
222.09686	7.9
267.15866	11.6
271.26471	5.6
285.16776	8.5
286.17346	8.3
296.20840	3.7
310.22391	4.2
339.28900	6.7
340.28973	6.5
430.16229	3.9
508.41895	9.7
550.41687	10.3
596.47369	16.0
656.49036	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	746.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.9
55.05500	2.5
57.03455	1.2
57.07080	100.0
59.05007	19.8
67.05498	3.7
69.07063	2.7
69.28552	0.9
69.28889	8.6
71.04965	1.0
71.08637	65.3
72.08155	1.8
73.06560	1.7
79.05515	1.3
81.07047	2.9
83.08614	2.5
85.10191	55.5
86.10530	0.8
87.04479	10.7
89.06039	63.6
91.05514	1.0
91.37441	0.8
93.07026	2.2
95.08604	1.9
97.10178	3.6
99.11743	11.0
101.09658	1.6
107.07090	1.0
107.08609	1.6
109.10117	2.2
111.11733	1.5
113.13305	4.7
117.09145	4.2
123.15877	0.8
130.08661	2.2
131.07048	4.2
133.08618	51.5
135.11697	1.1
155.17972	8.5
175.09676	3.0
177.11241	20.1
213.20195	1.4
213.22125	13.5
221.13829	3.4
239.14850	1.0
254.24908	1.0
271.26398	4.0
283.17407	2.2
353.21527	0.9
415.25269	1.6
459.28125	7.2
478.27679	1.2
478.94324	0.9
491.36401	1.8
549.40686	1.1
646.80414	1.0
746.56195	3.5
747.42035	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24887	2.1
55.05507	8.8
57.07081	5.1
61.89198	2.3
67.05509	20.1
68.60511	1.9
69.07075	13.1
71.08636	2.8
71.14880	4.0
79.05488	14.2
81.07065	38.0
83.06116	6.0
83.08611	6.1
84.23012	2.5
91.05498	11.0
93.07059	24.5
95.08616	36.2
95.09169	3.6
97.10197	2.8
105.07029	25.1
107.08607	25.2
109.10168	26.0
117.07020	3.9
119.08588	21.7
119.94166	2.3
121.10159	23.9
123.08094	8.1
123.11690	8.9
129.07014	2.9
131.08566	9.1
133.10130	12.9
135.08087	6.3
135.11708	10.4
137.13271	3.6
142.07817	3.6
143.08582	5.0
145.10123	12.6
146.10442	3.0
147.07906	2.4
147.11751	13.5
149.13274	7.2
151.07552	100.0
152.07938	4.0
157.10141	10.4
159.11685	20.9
161.13264	11.7
163.11237	4.4
163.14827	5.6
165.09172	3.6
169.10106	3.3
171.11757	7.4
173.09711	2.3
173.13310	10.2
175.14857	7.5
177.09038	4.5
177.16447	3.5
181.10159	2.7
183.11732	4.3
185.13306	10.9
187.14877	9.8
189.09149	8.2
189.16351	4.8
191.10681	66.4
191.12332	4.6
195.11758	2.9
197.13286	3.6
199.14844	7.5
201.16397	8.2
203.10706	4.9
203.17902	3.9
205.12253	11.5
211.14799	4.7
213.16422	7.2
215.17987	3.1
217.12279	4.6
217.19510	3.2
219.13687	3.7
225.16328	3.7
227.17932	3.6
231.13922	2.2
239.17937	3.7
246.65500	2.1
253.19701	2.9
255.21053	3.7
267.21207	2.4
270.58542	2.3
293.22372	2.8
307.24301	2.4
353.52155	2.9
365.24451	3.1
428.59973	2.2
539.45892	4.3
573.47992	2.5
745.59143	27.7
746.58020	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	745.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
54.89982	1.4
55.01878	7.9
55.05507	14.4
57.03436	4.8
57.07070	3.0
61.02931	6.7
65.03935	2.3
67.05506	26.3
69.03418	2.5
69.07072	26.5
70.06587	3.1
71.01356	28.0
71.31456	1.6
73.02923	8.1
75.04489	10.3
79.05479	13.3
81.07062	52.6
83.08618	14.9
85.02908	50.1
85.03430	2.3
91.03954	3.8
91.05473	16.5
93.07053	34.4
93.32152	1.4
95.01328	7.3
95.04962	3.0
95.08610	100.0
96.08960	1.8
97.02890	8.6
97.06522	1.9
97.10186	7.9
97.10704	1.5
99.04487	2.1
101.02384	58.8
103.03971	2.4
103.05524	1.6
103.45386	1.3
105.07039	34.8
107.05009	1.3
107.08600	61.9
109.06491	1.8
109.10162	75.5
111.08096	2.4
111.11730	7.2
113.02388	4.1
117.07028	3.7
119.08581	48.6
121.10146	50.7
123.11709	32.0
127.03924	17.5
131.03461	2.9
131.08565	8.9
133.10135	55.5
134.10469	2.0
135.11696	40.4
136.12077	2.1
137.13260	12.0
141.01849	11.0
143.08530	2.0
145.04964	63.9
145.10141	16.8
147.11690	32.6
149.13245	23.6
151.11162	1.4
151.14891	2.7
157.10133	2.8
159.02898	5.5
159.11700	23.3
159.12874	2.3
161.13271	40.9
163.05991	1.5
163.14835	23.8
165.16425	2.0
171.11700	2.1
173.13266	14.8
174.13829	2.2
175.14838	31.2
177.16400	35.7
177.17831	3.0
179.17982	5.0
185.13292	4.0
187.14806	15.8
189.16385	63.3
191.17960	57.2
192.18384	2.4
199.14922	3.1
199.62575	1.3
201.16403	23.6
203.17957	42.0
203.19745	2.9
205.19501	18.1
207.17384	7.9
213.16406	3.1
215.17960	16.2
217.19518	40.4
217.21570	2.1
219.21109	6.0
221.19090	2.3
227.17900	3.5
229.19543	16.9
231.21109	10.5
241.19490	2.7
243.21103	11.2
245.22635	7.4
255.21094	4.3
257.22720	10.7
269.22681	6.5
271.24225	10.9
283.24231	4.7
285.25732	3.1
297.25806	9.7
311.27277	3.5
365.32031	3.3
383.20575	2.6
407.36734	69.2
408.37033	5.2
425.37799	17.7
444.26367	1.5
498.20441	1.6
601.40692	5.7
643.13574	1.7
773.23688	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	745.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
53.62490	0.3
55.01892	0.4
55.05513	1.4
57.03440	1.4
61.02927	7.3
67.05510	6.9
68.05874	0.3
69.03437	3.4
69.07078	1.6
70.13923	1.6
71.01360	0.5
71.04981	0.5
71.08688	0.4
73.02918	4.5
77.74123	0.4
79.05497	4.7
81.03435	1.9
81.07062	6.2
83.04975	0.5
83.08619	0.8
85.02909	6.3
91.03970	2.8
91.05489	2.7
93.07045	6.7
95.08611	5.2
97.02890	5.6
97.06549	0.5
97.10170	0.6
99.04466	1.4
101.02408	1.8
103.03970	0.5
105.07027	1.9
107.04996	0.4
107.08623	2.9
109.02932	0.8
109.10179	1.7
109.44540	0.4
115.03971	0.4
117.07037	1.0
119.08610	1.7
121.10150	2.4
127.03945	1.0
131.08585	1.3
133.10162	0.6
135.08145	0.4
135.11726	2.5
145.10158	2.0
149.13252	0.4
156.86888	0.4
163.11148	2.4
185.04285	0.6
203.05321	0.4
227.12886	1.4
243.08470	2.3
249.10992	12.3
305.13745	1.2
335.25977	0.8
467.18930	6.0
519.29358	8.9
548.40338	0.5
583.35510	0.6
745.41321	100.0
746.41699	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	745.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01886	0.9
55.05511	1.5
57.03439	2.1
57.07095	0.6
61.02936	2.8
61.93685	0.5
67.05509	4.9
69.03425	2.4
69.07061	1.8
71.04968	0.6
71.08627	0.6
71.56063	0.7
73.02929	3.1
74.62908	0.5
79.05495	3.7
79.45332	0.5
79.94444	0.5
81.03429	2.2
81.07064	5.4
83.04991	0.8
85.02923	3.8
91.03950	1.9
91.05486	2.8
93.07041	5.5
95.04977	1.6
95.08608	4.7
97.02894	3.5
99.04445	0.8
101.02393	1.4
105.07040	2.1
107.08604	3.2
109.10178	1.8
119.08595	1.8
121.10166	2.5
127.03919	0.6
131.08652	0.7
133.10156	0.9
135.10861	0.7
135.11670	3.3
145.10153	1.7
163.11224	3.6
219.10051	1.5
227.12747	2.7
243.08562	2.4
249.10989	7.7
305.13702	1.9
335.26001	1.4
403.58282	0.6
467.18954	9.8
519.29474	5.7
548.39838	0.9
745.41357	100.0
746.41699	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
54.05718	0.4
55.01859	0.4
55.05493	0.8
55.22970	0.4
57.03438	0.5
59.38925	0.5
61.55824	0.4
65.03927	0.9
67.05502	2.5
69.03414	1.3
69.07051	1.3
70.06600	3.4
70.85092	0.9
72.08145	0.8
79.05485	2.1
81.03378	1.6
81.03802	0.4
81.07049	2.2
83.04947	0.7
83.08601	0.7
84.08115	0.6
85.02886	1.4
89.03894	1.0
91.05487	2.0
92.04982	0.6
93.07049	2.7
94.06580	2.0
95.04975	1.1
95.08583	1.8
96.04446	0.6
97.02893	1.9
97.06499	1.2
97.50758	0.4
99.04444	0.5
103.05474	1.4
105.05749	0.4
105.07012	1.7
106.06567	0.6
107.04935	0.8
107.08575	1.4
108.04465	0.9
108.08122	2.0
109.02837	0.7
109.06474	0.6
109.10137	1.8
111.04424	0.8
111.07998	0.5
115.05488	0.5
116.05003	2.8
116.05669	0.5
118.06549	1.0
119.07341	0.5
119.08565	1.3
120.04444	1.2
120.08124	6.3
121.06468	0.9
121.10123	1.4
122.06041	9.9
123.04414	0.6
123.07999	0.6
123.11689	0.8
124.07574	1.4
125.06037	0.6
127.03893	1.2
129.07001	0.6
130.06499	1.2
131.04903	1.1
131.06883	0.4
131.08633	0.9
132.08093	0.7
133.10077	0.8
134.05946	0.6
135.11691	0.9
136.07576	8.6
137.05948	1.7
138.05507	0.5
143.08484	0.9
144.04454	4.8
145.05139	0.7
145.10080	1.1
146.06049	2.2
147.04393	1.4
148.07574	12.6
149.09612	0.6
150.05473	1.5
151.03911	0.4
153.05443	1.4
154.06470	0.6
155.07269	0.8
155.08516	0.9
157.10124	0.6
159.11700	0.8
160.03963	1.1
160.07555	0.8
162.05475	2.7
163.03860	0.5
163.07405	0.5
164.07036	0.8
165.09129	0.9
166.08672	1.4
167.07083	1.9
170.06046	0.5
170.09654	4.1
172.03940	22.4
172.09898	1.1
172.11230	1.2
174.05536	1.0
174.09238	0.7
175.08694	1.1
175.11226	0.5
177.05424	0.7
183.06764	1.0
184.11244	0.6
186.05490	0.8
186.09102	1.0
187.12321	5.3
190.05019	4.0
197.08310	0.5
197.10718	0.6
198.09158	24.7
198.19693	0.4
199.08553	0.6
200.06920	0.5
200.07710	0.5
200.09160	2.8
200.10791	1.8
202.08641	0.5
204.06563	31.4
207.09135	0.5
212.10841	4.0
213.10187	0.6
215.11810	20.5
215.13924	1.0
216.12206	0.5
223.06065	0.5
223.12291	0.7
224.07092	0.4
225.10201	1.5
226.08702	5.7
227.08188	1.5
227.11787	1.9
228.08846	0.8
229.09660	1.3
229.13370	0.8
231.11359	0.8
236.09399	1.3
237.10297	0.9
237.37787	0.4
237.45143	0.5
238.08708	0.5
239.11772	0.8
240.10289	2.5
241.09708	2.0
241.13367	1.3
242.10527	1.5
243.11293	100.0
244.11638	2.9
251.11751	2.1
252.08554	2.2
253.09760	0.7
255.07851	0.4
255.08417	0.5
255.11317	5.0
256.11929	0.6
257.12839	5.1
264.08743	1.0
265.09827	0.8
267.11368	0.8
269.09293	2.6
269.12424	0.4
278.10696	0.6
279.11197	3.6
280.11853	0.6
284.11514	0.5
285.12338	85.6
286.12711	2.6
297.11838	0.5
301.11844	3.5
303.13391	86.9
304.13803	2.9
307.10751	2.8
313.11951	0.8
315.09781	1.6
325.11636	1.9
327.83575	0.4
339.13388	6.3
341.15042	0.5
342.12589	0.5
358.15491	0.9
363.09787	0.5
370.15631	0.4
385.15042	0.5
411.11923	5.0
414.14511	0.7
418.17780	1.0
428.16052	1.1
429.13190	0.5
430.17545	1.4
434.17276	0.8
443.14401	2.4
444.15451	1.1
445.16046	1.2
456.15482	0.5
457.14557	0.5
461.33240	0.8
462.16644	2.7
470.16983	0.5
474.16235	2.2
476.18539	0.5
479.33676	0.9
488.19180	0.5
494.19107	1.7
497.13449	0.6
497.34314	0.5
537.24622	0.6
581.24152	0.5
604.52002	0.5
609.23657	0.7
623.24927	0.7
625.26233	2.0
626.75012	0.5
627.24316	0.6
641.25635	1.4
669.25427	6.5
670.26813	0.5
683.26672	1.5
685.24811	1.9
695.23071	0.7
713.24420	8.4
727.25928	1.7
727.38318	0.5
745.36694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
53.08826	1.2
55.05512	20.0
57.03437	7.9
57.07059	4.2
61.02929	2.5
67.05507	58.7
69.03458	1.8
69.07069	29.0
69.40003	10.8
71.04989	3.4
71.08646	3.0
79.05494	21.1
81.07061	100.0
83.04965	5.3
83.08618	18.2
85.02885	3.2
85.06545	5.9
89.13695	1.8
91.03926	1.7
91.05490	28.8
93.07048	21.5
95.04982	3.2
95.08614	48.0
97.02871	2.4
97.06519	5.7
97.10171	4.3
99.08089	5.1
105.07034	32.6
107.08593	16.8
109.06485	3.8
109.10159	14.3
111.08067	3.3
111.11662	1.7
118.06535	3.3
119.08592	29.5
121.10149	24.6
123.08086	3.6
123.11715	28.5
125.09611	2.2
127.07564	3.5
129.07008	2.3
131.08574	3.0
133.10112	5.9
135.11705	3.3
137.13258	3.7
141.09131	1.8
143.32367	1.4
145.10020	1.8
147.11691	58.8
148.11978	1.7
149.13303	1.6
157.10104	2.4
161.13240	2.3
163.14856	1.6
165.12747	23.1
183.13748	2.2
229.14355	4.5
230.15407	6.5
245.22569	4.3
263.23730	7.5
267.15924	83.6
268.16068	2.4
275.85315	1.3
285.16974	90.7
337.27362	79.3
338.27679	1.9
435.16974	1.4
547.39978	72.3
548.40039	3.7
565.41577	1.6
582.41223	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	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01860	1.8
55.05519	14.9
57.03442	8.3
57.07073	2.7
59.04993	3.0
61.02922	3.9
65.03933	3.1
67.05508	100.0
68.05817	0.9
69.03420	2.6
69.07068	12.9
69.57754	6.3
71.04996	19.7
71.08619	0.9
73.02920	1.2
79.05499	38.8
81.03414	3.4
81.07061	45.3
82.07416	0.9
82.13385	1.0
83.04987	3.7
83.08618	8.2
85.02906	3.2
85.06541	2.9
87.04490	1.1
91.03953	1.3
91.05482	25.1
93.07048	43.0
94.07369	1.1
95.04984	4.3
95.08612	30.9
97.02879	2.7
97.06539	4.5
97.10157	3.0
98.20805	1.8
99.08101	1.7
105.07034	10.2
107.08604	20.2
109.06519	1.5
109.10162	61.3
111.08086	3.3
117.07053	4.2
118.57866	0.9
119.08582	16.2
119.50391	0.8
121.06512	0.8
121.09322	1.3
121.10152	19.3
123.08109	1.4
123.11706	2.9
129.05467	1.0
129.06999	1.2
131.08577	6.6
133.10129	7.5
135.11708	14.2
137.09628	7.8
145.10112	5.1
147.11700	3.7
149.13278	3.9
153.12665	0.9
155.10664	2.5
157.10123	1.2
159.11711	3.6
161.13271	3.4
163.11229	3.4
163.14876	1.4
169.12320	1.5
171.11646	1.0
173.11723	7.1
173.13268	2.6
173.73599	0.8
181.12238	1.3
187.13338	0.9
187.14828	1.3
195.08856	0.8
196.34749	1.0
199.14865	1.0
205.37177	0.9
211.13281	1.2
229.14549	1.0
243.15817	1.4
243.21059	1.4
255.15950	5.8
261.22192	2.4
267.16019	1.9
285.16995	1.4
286.17267	1.0
287.18521	17.5
335.25815	24.7
336.26202	1.1
337.27145	2.5
345.52383	0.9
379.29739	1.2
383.12939	1.0
395.19672	0.9
397.31003	1.2
471.34607	3.0
489.35779	95.2
490.36075	5.2
503.37399	3.0
515.37421	11.1
547.39978	83.1
548.39954	3.6
719.25269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34255	2.3
53.03941	5.8
55.01862	6.9
55.05512	15.8
57.03434	5.7
57.07071	7.3
65.03938	1.9
67.05507	32.1
69.07069	25.6
70.06588	3.4
71.01353	22.4
71.35802	1.9
73.02913	8.6
75.04467	5.9
79.05509	18.8
79.66777	1.8
81.03379	2.6
81.07063	48.9
83.08615	8.6
85.02426	3.5
85.02911	48.1
91.05489	22.2
91.26839	2.0
93.07043	38.9
95.01331	8.1
95.04964	3.5
95.08614	100.0
97.02921	4.2
97.10165	9.4
99.04487	2.2
101.02390	56.3
103.03947	3.0
105.06391	3.8
105.07047	52.8
107.07872	3.4
107.08593	69.8
109.06522	2.8
109.10162	74.0
111.08078	5.2
111.11752	3.8
113.02365	7.9
117.06992	6.2
119.08588	65.5
121.09319	3.9
121.10152	59.4
123.11727	27.8
125.91510	2.3
127.03923	79.5
129.06996	3.5
131.03452	3.1
131.08565	21.3
133.10127	53.7
133.11079	3.6
135.11688	32.8
137.13242	9.7
139.11220	2.5
141.01840	17.9
143.08569	13.0
145.04971	75.0
145.10144	33.4
147.11691	42.3
149.13268	25.5
151.11185	2.8
151.14804	3.3
153.05402	2.5
155.08638	1.8
157.10110	15.0
159.02910	11.7
159.11691	41.6
159.22429	2.2
161.13257	32.9
163.11211	2.2
163.14833	18.0
165.09077	2.7
169.10103	3.2
171.11710	13.0
173.13274	23.0
175.14821	30.8
177.03964	3.4
177.16405	33.7
183.11690	5.1
185.13338	10.0
185.67538	2.1
187.14812	24.7
189.16379	38.0
191.17964	15.8
193.15860	2.7
195.11613	3.2
197.13327	3.0
199.14781	15.8
201.16391	54.9
203.17986	39.6
205.15913	4.7
205.19510	6.4
207.17438	3.3
211.14784	3.8
213.16412	9.5
215.17957	26.9
217.15947	4.8
217.19527	33.2
219.17456	3.0
225.16403	3.9
227.17947	15.8
229.19550	20.9
231.17493	3.0
231.21107	2.8
235.20422	2.3
241.19533	9.9
243.21158	16.1
245.19075	2.5
253.19550	6.6
255.21111	9.1
257.22723	10.1
267.21002	6.3
269.22598	12.0
271.24133	3.8
281.22693	5.9
283.24237	4.4
295.24289	4.9
297.25821	5.9
311.27167	2.8
313.25626	2.2
365.31924	11.7
405.35181	64.0
406.35538	2.6
423.36227	44.7
424.36554	2.2
581.31427	2.3
581.38501	27.0
599.39362	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
55.05517	5.5
57.03435	1.4
57.07069	1.5
59.05003	0.7
61.02918	1.5
67.05504	5.0
68.99798	0.8
69.03076	0.7
69.03435	9.8
69.07073	15.2
70.06583	1.1
70.58160	1.2
71.04993	1.4
72.08144	1.1
73.02913	1.4
74.68349	0.4
79.05487	3.6
81.02932	0.5
81.03420	9.7
81.07064	8.6
83.01347	1.6
83.01791	0.4
83.04974	0.8
83.08629	2.6
84.08170	0.4
85.02425	0.8
85.02911	12.2
85.06537	1.6
87.00831	4.1
87.04459	0.5
91.03977	0.6
91.05469	2.8
93.07043	5.0
95.01358	0.7
95.04965	1.1
95.08612	7.1
95.09175	0.8
97.02895	6.1
97.06524	1.6
97.10171	0.6
99.00821	4.3
99.04453	4.8
99.08070	0.6
101.02338	0.4
105.01878	1.7
105.07025	2.1
107.08588	4.8
109.02206	0.7
109.02888	6.5
109.06532	1.1
109.10161	5.1
111.04475	0.4
111.08086	1.2
111.11696	0.9
113.02377	1.5
115.03927	0.5
117.01845	1.4
119.04923	0.7
119.08597	1.2
121.02891	0.5
121.06507	0.8
121.10152	3.3
123.04442	1.0
123.08041	0.8
123.11716	2.0
125.06040	1.3
127.03927	8.5
129.01848	0.6
129.06992	0.5
131.08604	0.7
133.06499	1.1
133.10150	1.3
135.04420	0.8
135.08066	0.7
135.11713	2.3
137.05957	2.6
137.09615	0.7
137.13281	1.1
139.07530	0.7
139.11081	0.6
145.04967	1.5
145.10165	0.7
147.04428	1.3
147.11713	0.8
149.02412	0.6
149.05977	1.0
149.09676	0.5
149.13274	1.4
151.03905	0.8
151.07539	2.2
153.05498	3.1
153.12692	0.5
155.07033	1.7
157.06490	0.4
157.10045	0.4
159.02911	2.3
159.11905	0.5
161.05942	0.4
161.09622	0.5
163.03925	1.2
163.07515	1.6
163.11209	0.4
163.14862	0.6
165.05518	0.4
165.09117	2.4
166.80370	0.4
167.07091	2.5
173.09639	0.5
173.13254	0.6
175.07578	1.7
177.05510	2.6
177.09157	1.2
177.12617	0.5
177.38510	0.4
179.07025	0.8
179.10693	0.9
181.04947	8.6
182.72176	0.4
183.06563	2.3
185.09641	0.4
189.09157	3.9
191.07062	1.3
191.10713	1.5
191.18114	0.4
192.33302	0.4
193.08607	0.4
193.12299	1.2
195.06541	20.3
196.06941	0.6
203.07079	0.5
203.10741	0.8
203.75955	0.4
205.08635	1.0
205.12222	0.8
207.06551	0.8
209.08115	9.7
213.03897	0.5
215.10606	0.6
221.08089	1.2
223.09660	11.2
224.10097	0.5
231.05005	1.1
235.09764	1.9
237.11229	11.5
245.15485	0.5
249.11229	5.1
251.12856	5.3
257.04526	0.5
257.15469	0.5
263.12842	1.9
265.14340	1.3
277.14297	0.4
279.15994	0.6
291.15945	1.0
293.17712	2.4
305.17496	1.9
307.19101	1.7
317.17624	1.9
319.19092	1.6
321.20700	2.0
331.19003	0.6
349.19861	0.5
359.22549	0.4
361.23773	0.5
415.32059	0.6
441.30038	1.7
459.31055	23.6
460.31339	0.8
475.30505	0.5
476.30704	0.6
477.32141	100.0
478.32526	3.7
495.33176	5.9
639.36896	1.0
657.38605	0.8
681.39246	0.5
707.36353	2.8
725.37372	8.5
726.38934	0.5
743.26508	0.7
743.38513	7.5
744.38989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.7
55.05516	11.1
57.03436	3.6
57.07080	3.2
59.05012	1.3
61.02924	3.2
61.04107	0.9
65.03924	2.0
67.05510	14.5
68.99795	1.7
69.03073	1.5
69.03433	18.9
69.07072	26.0
69.59372	5.0
70.06584	4.0
71.01359	1.8
71.04991	2.5
72.08150	4.0
73.02913	3.1
79.05495	9.4
81.03421	17.4
81.07066	30.8
83.01347	2.1
83.04990	2.6
83.08622	7.2
85.02910	24.1
85.06534	5.0
86.09692	1.0
87.00835	8.9
91.05479	6.1
93.07048	12.2
95.01334	2.0
95.04971	2.8
95.08614	22.7
97.02901	14.2
97.06535	2.5
97.10166	2.2
99.00805	9.3
99.04463	11.4
99.08079	1.6
101.02303	0.8
103.05441	1.3
105.01868	4.0
105.07032	7.0
107.04955	2.2
107.08604	11.7
109.02896	13.6
109.06513	1.8
109.10158	14.7
111.04477	1.1
111.11739	2.4
113.02381	1.8
117.01864	3.0
117.07040	1.9
118.31670	1.0
119.04951	2.2
119.08579	5.0
121.06502	1.7
121.10159	6.2
123.04395	1.7
123.08105	1.1
123.11701	5.6
124.07552	1.6
125.05981	2.4
125.09665	1.1
127.03922	15.5
128.06285	0.9
129.01848	1.7
129.06940	1.1
129.45834	1.1
131.04893	1.4
131.08571	2.9
133.06494	1.6
133.10168	3.7
134.09702	1.1
135.04422	2.6
135.08112	2.2
135.11658	4.3
137.05977	6.3
137.09634	1.4
137.66360	0.9
139.07516	1.1
139.11198	1.1
143.08607	1.1
145.02878	1.5
145.04980	4.0
145.10159	2.7
147.04405	4.6
147.08093	2.0
147.11673	2.0
149.02347	1.5
149.06018	3.7
149.09665	2.2
149.13287	3.3
151.03922	0.9
151.07582	4.3
153.05455	5.8
155.07042	2.4
157.10115	1.8
159.02890	3.9
159.11681	2.1
161.05981	3.3
161.09637	1.3
162.63860	1.0
163.03951	4.7
163.07553	3.5
163.11212	2.0
163.14835	1.0
164.04210	1.1
165.09151	9.0
167.07080	6.0
169.04996	1.0
171.08049	2.1
171.11635	1.2
173.05911	1.0
173.09628	1.5
175.07576	4.1
175.11234	2.4
177.05441	7.2
177.09157	2.7
177.16425	1.2
179.07030	1.9
179.10738	2.1
181.04982	17.7
181.06531	1.5
183.06544	9.1
187.11166	1.1
189.05446	1.0
189.09105	12.0
191.07098	3.2
191.10684	2.7
193.12347	1.3
195.06541	46.6
196.07008	1.2
201.09074	1.4
203.07106	1.0
203.10699	3.3
205.08549	1.3
205.12186	2.3
207.06561	3.1
209.08099	20.2
219.10266	1.1
221.08035	3.4
223.09674	30.3
231.05177	1.1
231.10210	0.9
231.13812	1.1
235.09700	3.8
237.11232	27.0
249.11258	13.5
251.12825	7.4
257.04410	0.9
257.15469	1.2
261.11288	1.8
263.12790	3.3
265.08591	1.0
265.14322	1.7
269.08191	1.4
277.14444	2.1
289.14108	1.4
291.15927	4.2
293.17303	1.9
303.15985	1.5
305.17599	4.1
307.19098	8.2
317.17438	12.6
319.19070	3.9
321.20654	1.4
335.18518	10.1
375.25388	2.0
397.31064	1.1
415.32022	1.2
441.30057	3.1
459.31076	40.7
460.31567	1.5
477.32150	100.0
478.32584	4.0
495.12988	2.8
495.33203	82.8
496.33347	4.0
566.47314	0.9
585.36029	1.0
657.38220	2.3
707.36432	1.8
725.37854	6.3
743.38593	22.8
744.39594	1.7
755.25049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
53.50383	0.8
55.01874	2.1
55.05513	12.2
57.03445	10.0
57.07091	1.8
61.02927	2.5
65.03937	1.9
65.38748	0.8
65.69585	0.9
67.05507	45.7
69.03432	3.0
69.07074	15.6
71.04983	3.5
73.02950	0.9
74.06081	0.9
74.09716	2.4
79.05497	30.3
81.03407	2.6
81.07060	80.1
82.07378	1.5
83.04976	5.0
83.08620	7.1
85.02903	3.4
85.06548	3.7
91.05483	26.5
93.07045	31.5
95.04981	4.0
95.08610	37.0
97.02876	1.5
97.06542	4.0
97.10167	1.5
98.20177	0.9
99.08101	2.7
105.07037	25.8
107.08598	18.6
108.71648	0.9
109.06534	3.2
109.10159	11.8
110.87630	0.9
111.08048	2.5
117.07021	4.1
119.08591	20.6
121.10152	22.7
121.11027	1.3
123.08067	4.6
123.11719	20.3
127.03941	1.1
127.07583	1.3
129.06979	0.9
131.08589	5.8
133.10146	7.8
135.11705	7.6
137.13271	2.3
145.10123	5.7
147.11690	41.4
149.09601	0.9
149.13275	4.3
153.12697	1.0
157.10173	2.0
159.11691	3.0
161.13271	2.9
163.14839	2.8
165.12759	15.1
171.11621	1.0
173.13310	2.7
175.11209	2.3
175.14798	1.3
183.13847	2.1
193.12259	2.6
211.13361	1.1
229.14378	4.3
243.21181	3.9
261.22147	15.4
267.15930	48.9
279.23132	1.3
283.15503	1.7
285.16968	53.5
312.52261	1.0
317.24789	2.8
335.25806	100.0
336.26151	3.8
355.17456	1.8
406.62906	0.8
527.37201	2.6
545.38397	42.9
546.38544	1.9
563.39447	1.4
702.69812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01879	2.0
55.05268	1.2
55.05516	14.5
57.03439	11.9
57.07072	2.7
61.02912	3.6
65.03937	1.6
67.05506	54.8
69.03410	2.6
69.07071	19.0
69.63763	8.2
71.04993	3.8
74.09689	1.1
79.05495	38.1
81.03441	1.5
81.07061	100.0
83.04981	4.7
83.08624	12.4
85.02906	3.7
85.06543	6.0
91.05482	34.2
93.07049	38.5
95.04972	4.2
95.08611	45.5
97.02871	1.5
97.06501	6.5
97.10165	3.4
99.08094	6.1
101.06029	1.8
105.04530	1.6
105.07031	38.2
107.08595	24.6
109.06521	5.5
109.10154	12.6
111.08076	2.9
117.07014	3.3
119.07787	2.3
119.08578	27.7
121.10148	29.7
123.08068	5.1
123.10821	1.9
123.11714	31.7
127.07563	2.8
129.07004	2.2
131.08604	8.7
133.10124	7.2
135.11714	7.6
137.13286	2.9
139.11185	1.5
145.10133	4.5
147.11693	66.6
149.13264	4.5
157.10147	3.4
159.11664	3.9
161.13228	3.2
163.14888	2.8
165.12773	23.9
173.13266	5.2
175.11142	2.9
175.14819	1.2
177.02054	1.2
177.16423	1.6
179.31812	1.1
183.13829	4.2
187.14861	2.8
191.66611	1.2
193.12230	2.2
194.97911	1.2
201.16486	1.4
218.01192	1.2
229.14317	6.4
234.20291	1.3
243.21132	4.9
261.22153	17.7
267.15927	61.3
268.16208	1.2
279.23230	2.2
285.16977	82.8
286.17398	2.9
317.24771	3.5
335.25803	80.7
336.26285	2.6
353.26886	3.2
527.37354	5.6
545.38422	55.6
546.38232	3.5
563.39441	3.1
665.48047	1.5
671.34717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
53.11768	0.9
55.01870	2.6
55.05264	1.6
55.05513	18.9
56.14459	0.9
57.03438	13.0
57.07073	2.6
57.58011	0.8
61.02912	2.3
63.67888	0.9
65.03921	3.6
65.82276	0.9
65.90286	0.9
66.68773	0.9
67.05504	49.8
69.03448	5.1
69.07076	13.1
69.30061	2.0
69.30463	7.2
71.04996	5.1
73.02905	1.5
76.27886	0.9
79.05494	38.2
81.03420	40.1
81.07058	61.3
82.07414	1.2
83.04993	11.5
83.08625	19.0
85.02908	16.2
85.06533	2.0
91.05481	30.8
93.07044	35.6
95.04965	20.8
95.08607	33.9
97.02914	4.4
97.06539	6.1
97.10165	4.2
99.04507	1.2
99.08081	1.6
105.07030	28.6
107.04978	4.8
107.07876	1.1
107.08598	20.5
109.06521	5.0
109.10156	11.2
111.04449	2.0
111.08080	6.8
113.05999	1.7
117.07031	3.7
119.08574	23.5
121.06494	1.9
121.10146	21.1
123.08089	3.1
123.11692	10.8
125.09637	2.2
127.07552	0.9
129.07033	7.0
131.08571	12.0
133.06506	1.8
133.10127	11.6
135.08072	1.4
135.11697	8.5
137.09589	1.4
137.13199	1.4
142.07713	2.3
143.08559	1.8
145.10130	6.4
147.08064	1.8
147.11696	32.4
149.09627	4.6
149.13242	3.8
151.11122	1.0
157.10143	8.5
159.11711	3.3
161.13246	2.1
163.11221	2.3
163.14848	1.5
164.11510	1.2
165.12732	11.2
173.13257	2.3
175.11194	10.1
175.14807	1.3
183.13808	1.4
187.14888	1.2
193.10457	1.0
193.10857	0.6
193.12236	25.7
211.13289	41.0
213.60457	1.0
227.12837	2.7
229.14336	4.0
243.21080	2.4
261.22144	8.0
267.15897	29.4
277.21475	1.2
283.15463	2.7
285.16962	100.0
286.17242	2.0
292.08041	1.0
317.24731	1.5
335.25790	39.7
336.26288	2.4
337.26584	1.8
435.32605	1.6
527.37500	6.4
544.36981	1.3
545.38324	90.9
546.38489	4.4
577.89545	1.0
774.98065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01864	1.4
55.05513	4.6
57.03440	1.6
57.07077	1.0
59.04985	0.7
61.02930	1.0
65.03944	0.2
67.05176	0.3
67.05507	4.1
68.99789	0.7
69.03432	7.8
69.07072	17.2
70.06586	0.8
71.01344	0.2
71.04634	0.2
71.04997	1.2
71.08608	0.2
72.08151	1.0
73.02929	0.9
76.81305	0.2
79.00957	0.2
79.05499	2.7
81.03424	6.8
81.03910	0.3
81.07061	10.6
82.07401	0.2
83.01344	1.3
83.04980	0.9
83.08629	2.2
84.08157	0.2
85.02907	9.1
85.06530	0.9
87.00835	4.1
87.04464	0.5
91.03973	0.4
91.05478	1.8
93.07050	4.6
95.01302	0.7
95.04981	1.3
95.08042	0.3
95.08609	4.1
96.08978	0.2
97.02893	5.5
97.06535	1.0
97.10143	0.8
98.20738	0.7
99.00827	3.0
99.04453	4.3
99.08093	0.3
101.02343	0.3
103.03951	0.3
104.97059	0.2
105.01873	1.8
105.07043	2.4
107.04961	0.6
107.08607	3.0
108.08179	0.2
109.02887	5.0
109.06512	1.3
109.10150	4.5
111.04424	0.4
111.08090	0.5
111.11722	1.4
113.02408	1.0
113.06011	0.2
115.03965	0.2
115.05439	0.3
117.01826	1.0
117.07009	0.6
119.04970	0.4
119.08588	2.2
120.08047	0.2
121.06501	0.9
121.10136	2.4
123.08054	0.7
123.11721	2.3
125.05966	0.6
125.09608	0.6
127.03925	6.7
127.11197	0.5
129.01839	0.7
129.07047	0.5
131.04926	0.3
131.08609	1.0
133.06496	0.8
133.10146	1.7
134.09650	0.3
134.90092	0.2
135.04402	0.7
135.08064	0.8
135.11702	1.0
136.06433	0.2
137.02339	0.3
137.05975	1.6
137.09633	0.4
139.07552	0.9
139.11174	0.4
143.04893	0.4
143.08572	0.4
145.02831	0.3
145.04938	1.3
145.06532	0.4
145.10184	1.0
147.02881	0.3
147.04440	0.3
147.08037	0.5
147.11667	1.1
149.02347	0.8
149.05978	0.8
149.09618	0.8
149.13258	0.4
151.03911	0.2
151.07538	1.5
151.11177	0.6
153.05484	1.4
155.07054	1.3
157.06537	0.3
157.10136	0.5
159.02934	1.8
159.04185	0.3
159.08014	0.3
159.11708	0.6
161.06017	1.2
161.09624	0.3
161.13257	0.5
163.03920	1.8
163.07568	1.3
163.11200	0.4
163.14842	0.3
165.05524	0.3
165.09103	2.0
167.07060	0.5
169.10130	0.2
171.02950	0.3
171.08069	0.5
171.11682	0.2
173.09596	0.2
173.13229	0.3
175.07547	2.5
175.11189	0.5
177.05476	1.8
177.09088	1.2
179.07059	0.6
179.10672	0.6
181.04970	6.8
182.05293	0.2
183.06557	3.5
185.09552	0.3
187.07448	0.2
187.11194	0.3
189.09129	4.1
189.12703	0.4
189.16406	0.2
191.07018	1.2
191.10643	0.8
191.14355	0.3
193.08681	0.3
193.12271	0.9
195.06537	17.2
196.06906	0.5
198.00143	0.3
199.11147	0.2
199.14978	0.2
201.09061	0.3
201.16594	0.2
203.10712	1.1
203.18074	0.3
205.08607	1.0
205.12376	0.5
207.06520	1.6
207.10214	0.2
207.13788	0.2
209.08095	8.6
211.14940	0.2
215.10658	0.6
217.08719	0.3
217.12193	0.5
219.10226	0.6
221.08093	2.7
223.09644	10.2
223.66454	0.2
224.10068	0.3
227.14417	0.3
229.12291	0.4
231.05011	0.6
231.10106	0.5
231.13829	0.9
232.84573	0.2
233.11800	0.3
235.09650	2.2
237.11217	6.7
238.11714	0.2
241.08626	0.2
243.10208	0.5
245.15413	0.7
247.09583	0.4
247.16882	0.3
249.11246	3.8
251.12799	2.0
253.10672	0.3
255.13831	0.4
256.25714	0.2
259.09814	0.3
259.16827	0.2
261.11279	0.5
261.18399	0.2
263.12775	1.7
265.14362	0.6
267.16098	0.2
269.08200	0.2
271.16928	0.3
273.11301	0.3
273.15002	0.3
275.12860	0.3
277.14532	0.3
289.14374	1.0
289.17505	0.2
291.15891	3.7
293.17401	0.5
297.14984	0.2
299.09085	0.3
303.15952	0.9
303.19049	0.2
305.17444	7.4
307.19067	3.7
315.15967	1.0
317.17511	0.4
319.19077	3.5
329.17551	0.3
333.16983	1.7
343.60123	0.2
377.23270	1.1
386.71075	0.2
428.92764	0.2
439.28860	0.3
457.29388	1.7
459.27380	0.6
473.29077	0.5
474.29321	0.4
475.30508	8.0
476.31140	0.4
477.28403	0.3
491.30188	0.3
492.30585	0.6
493.31604	100.0
494.32040	5.7
535.32288	0.3
579.36353	0.8
655.37061	1.3
697.38800	0.3
723.36481	0.5
741.36792	10.1
742.37115	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27999	0.3
53.03947	1.8
54.99767	0.3
55.01864	1.0
55.05515	4.4
57.03439	1.7
57.07070	1.0
57.20406	0.3
59.04989	0.6
61.02919	0.9
62.28491	0.3
67.05505	3.9
68.99780	0.4
69.03087	0.5
69.03436	8.0
69.07073	14.7
69.35231	2.3
70.06582	0.5
71.01363	0.4
71.04993	1.4
72.08128	0.4
73.02902	0.7
79.05506	2.1
81.03429	6.3
81.07063	9.4
82.07377	0.3
83.01341	1.0
83.04978	0.7
83.08619	2.2
84.42417	0.3
85.02424	0.6
85.02909	8.0
85.06537	0.8
87.00827	3.1
87.04450	0.5
91.03937	0.5
91.05495	1.7
93.07054	3.3
95.01328	0.5
95.04980	0.7
95.08611	3.5
97.02900	4.4
97.06518	1.1
97.10159	0.5
99.00812	3.3
99.04454	3.5
99.08109	0.4
99.66187	0.3
102.80699	0.3
103.03946	0.3
105.01876	1.4
105.07034	2.0
107.04939	0.7
107.08598	2.7
109.02888	4.9
109.06544	1.2
109.10170	3.9
110.26163	0.3
111.08076	0.8
111.11718	1.5
113.02369	0.7
114.60908	0.3
115.03922	0.4
117.01842	1.1
117.07028	0.7
119.04929	0.5
119.08601	1.2
121.10137	1.6
123.11717	2.0
125.05982	0.9
125.09570	0.4
127.03931	5.8
127.11167	0.5
129.01837	0.6
131.08582	0.5
133.06491	0.8
133.10135	1.4
135.04413	0.9
135.08073	0.7
135.11711	1.3
137.06003	1.3
137.09657	0.5
139.07535	1.1
145.04968	1.3
145.10121	1.0
147.11708	0.9
149.02306	0.8
149.06018	0.5
149.09627	0.6
151.07568	1.7
151.11092	0.4
153.05470	1.6
153.12691	0.3
155.07013	1.0
157.10219	0.3
159.02887	1.7
159.11803	0.4
161.06030	1.3
161.09720	0.4
163.03932	1.5
163.07491	1.4
163.11241	0.5
165.09087	2.0
167.07152	0.4
173.09608	0.6
175.07544	2.1
175.11238	0.6
175.14819	0.4
177.05508	1.7
177.09129	1.0
179.06990	0.4
179.10698	0.5
181.04973	6.1
183.06541	3.3
189.09142	2.4
191.07100	1.0
191.10652	0.9
193.12201	0.6
195.06544	16.0
201.05544	0.3
203.10529	0.6
205.08617	0.7
205.12285	0.7
207.04800	0.4
207.06512	1.4
209.08101	8.2
217.08635	0.5
217.12158	0.4
219.10161	0.3
221.08133	2.7
223.09656	9.3
231.04947	0.3
231.13860	0.7
235.09633	2.2
237.11227	5.8
243.10211	0.4
245.15462	0.6
247.09711	0.5
249.11256	3.4
251.12811	1.6
261.11264	0.5
263.12817	1.5
265.14230	0.5
273.15182	0.3
289.14459	1.0
291.15961	3.7
297.14951	0.4
303.16058	0.8
305.17487	6.8
307.19012	3.5
315.15771	1.6
317.17554	0.6
319.19052	3.7
333.16800	1.7
377.23254	0.6
457.29480	1.2
474.29807	0.3
475.30591	6.6
477.28796	0.4
493.31622	100.0
494.32043	4.2
577.52448	0.3
654.31067	0.3
655.36584	1.4
741.36865	9.6
742.37146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.2
53.48328	0.3
55.01842	1.1
57.03408	1.1
58.63611	0.3
61.02891	0.8
67.05468	1.0
68.99763	0.6
69.03429	8.2
69.07043	0.5
70.90803	0.6
70.91148	0.3
71.04955	0.8
73.02887	1.3
79.05491	1.6
80.72485	0.2
81.03418	5.9
81.07029	1.2
83.04965	0.4
85.02904	8.2
85.06556	0.3
87.00843	2.5
87.04447	0.3
91.05075	0.2
91.05475	2.5
93.03362	0.4
93.07069	1.5
95.01327	0.5
95.04935	1.2
95.08575	0.8
97.02885	3.6
97.06522	0.8
99.04444	1.8
102.04697	0.3
103.03900	0.8
103.05461	2.9
105.01828	1.1
105.07034	4.8
106.04180	0.3
107.04926	1.2
107.08575	0.7
109.02879	4.2
109.06483	0.5
109.10129	0.7
111.08091	0.3
115.05417	0.6
117.03348	0.3
117.06943	0.4
118.04128	2.0
119.04924	0.8
119.08533	0.5
121.06526	2.4
121.10110	0.4
123.00791	2.9
123.04369	0.8
123.08070	0.3
127.03909	6.3
128.05365	0.3
128.06201	1.2
129.01788	0.6
129.07030	0.4
130.04108	1.0
131.04927	3.5
132.05670	1.2
133.02786	0.3
133.06500	4.3
133.10100	0.6
135.04387	1.3
137.02357	0.4
137.05898	0.5
139.03879	0.4
140.04651	0.3
141.06915	0.5
145.04973	1.3
145.06447	0.4
146.03574	0.7
147.02921	0.4
147.04353	0.9
147.11636	0.5
148.05147	1.1
149.02344	0.3
149.05968	2.5
149.09454	0.4
151.07436	0.5
152.01085	1.7
153.01799	0.5
153.05437	0.5
153.06976	0.4
154.06209	0.9
156.05684	0.6
157.10092	0.3
159.02858	1.3
159.04288	0.3
160.05193	0.5
161.05980	6.5
163.03889	0.7
163.11174	0.4
165.01683	0.3
165.05452	0.4
165.09116	0.5
167.07050	5.0
168.05716	0.9
170.02071	1.0
171.08043	8.3
173.06003	0.5
176.04659	1.6
177.05458	2.4
177.09171	0.3
178.06239	0.5
179.06947	0.4
181.06488	0.8
181.08539	0.8
182.09431	1.5
183.08037	1.4
184.05243	1.3
185.05959	0.5
187.06058	0.8
189.03841	0.4
191.07028	4.1
192.07791	1.7
193.08569	3.5
197.05856	0.4
199.07535	1.0
207.06506	0.3
209.04642	0.3
209.05962	2.8
209.08098	1.8
210.08884	2.9
211.07524	1.2
212.04697	0.9
213.05461	0.4
223.03941	0.7
224.04709	0.3
226.81544	0.3
227.06903	0.5
229.08597	2.2
231.04941	0.6
237.05617	0.4
239.06984	1.1
240.04175	1.1
240.07732	2.3
241.04997	0.4
242.05957	0.5
252.04187	0.8
253.04994	0.6
255.06519	96.2
256.06940	2.7
268.07343	0.3
269.04434	0.6
269.08060	0.9
270.05099	0.7
281.08044	0.7
283.06009	40.5
284.06735	10.6
285.07568	20.7
286.08151	0.7
295.06119	0.7
309.07529	0.3
325.07077	1.2
337.89517	0.3
339.08527	0.6
361.10718	0.3
403.11810	0.3
421.57907	0.3
463.13910	3.6
475.13876	17.2
475.30841	0.5
476.14145	0.5
476.27197	0.6
493.14932	100.0
494.15277	3.7
535.16150	1.1
561.14154	0.8
655.20264	0.7
728.57184	0.3
741.19739	1.9
741.42206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	2.3
55.01880	2.6
55.05515	12.8
55.05764	0.6
57.03442	7.9
57.07049	1.8
61.02900	1.2
61.70594	0.5
65.03908	1.6
67.05509	38.2
67.05863	1.4
69.03397	1.4
69.07069	10.9
69.31911	2.7
69.32338	1.8
71.04954	2.0
73.02875	0.8
79.05497	33.0
81.03382	1.6
81.07061	38.1
81.07516	1.2
83.04997	3.1
83.08620	9.3
85.02868	0.9
85.06512	1.5
91.05489	14.0
93.07049	42.9
95.04986	5.4
95.08611	46.6
97.02908	2.7
97.06551	3.5
97.10138	2.1
99.04443	2.7
99.08054	1.0
105.04488	0.8
105.06394	0.8
105.07031	10.2
107.04978	6.6
107.08599	27.6
109.06478	2.0
109.10156	9.9
109.62705	0.5
111.04379	0.7
111.08040	1.5
113.09559	0.4
117.06233	0.5
117.07020	8.0
119.07823	0.7
119.08585	10.7
121.06528	5.1
121.10143	17.0
123.08114	0.6
123.11671	2.2
125.05956	2.2
125.09642	0.5
129.07013	0.7
130.07800	1.2
131.08542	4.6
133.10120	5.8
135.08037	1.6
135.11697	38.6
137.13177	0.5
139.07495	1.6
143.08531	1.1
145.10127	20.9
147.11665	2.7
149.13271	3.0
153.12776	0.7
155.08415	0.6
159.11638	1.9
161.13214	2.0
163.11194	43.5
163.14810	1.4
164.74374	0.5
173.09590	1.0
173.13252	0.9
181.12239	6.3
187.14751	0.9
193.52119	0.5
193.97629	0.5
209.11731	0.9
227.12790	55.1
228.13014	0.6
230.68324	0.5
230.70996	0.5
243.21121	1.8
261.22128	6.0
270.18112	0.5
283.15408	48.8
284.15802	0.7
306.28152	0.5
317.24756	2.6
319.76379	0.6
335.25812	100.0
336.26160	3.2
385.84848	0.6
543.36829	74.5
544.37115	3.8
722.31036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47013	1.0
53.01078	1.2
53.03940	2.2
55.01878	3.3
55.05513	17.3
57.03442	8.8
57.07074	1.8
57.10662	1.0
61.02941	1.5
65.03931	1.3
67.05508	48.0
69.03436	1.4
69.07070	12.0
69.74042	1.0
71.04978	2.7
71.06580	1.6
71.06900	1.3
79.05495	44.1
81.03392	2.7
81.07062	47.7
83.04990	4.3
83.08621	11.8
84.96061	1.3
85.06542	1.8
91.05486	17.1
93.07046	54.1
94.07397	1.1
95.04971	8.3
95.08614	60.5
97.02885	4.5
97.06527	4.5
97.10162	2.6
99.04451	4.2
103.05490	1.7
105.04508	1.9
105.07043	12.0
107.04958	8.4
107.08601	42.3
108.08916	1.2
109.06497	1.7
109.10162	10.0
111.08060	2.2
113.06021	1.2
117.07031	13.8
119.08580	14.7
121.06487	6.4
121.10147	23.1
123.08060	2.0
123.11671	3.0
125.05998	4.4
125.09663	1.4
130.07805	1.7
131.08568	4.4
133.10126	7.2
135.08063	2.2
135.11696	58.2
139.07542	1.4
145.10133	30.1
147.11731	1.9
149.13243	3.3
159.11685	2.3
161.13292	2.9
163.11189	65.2
164.11444	1.1
173.13280	1.5
181.12256	11.1
209.11945	2.6
227.12787	91.8
228.13037	2.1
243.21191	2.6
261.22150	7.6
283.15399	100.0
284.15735	2.0
317.24802	2.8
335.25815	99.9
336.26187	3.9
447.99091	1.2
539.61145	1.2
543.36853	89.4
544.37146	5.6
665.74982	1.4
699.49609	1.4
702.79510	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.05528	0.1
57.02655	0.1
62.17062	0.1
64.21034	0.1
66.01088	0.2
67.05512	0.8
68.99775	0.2
69.03420	0.3
69.07059	0.2
70.06574	0.1
70.58469	0.1
71.56326	0.1
76.52835	0.1
77.06897	0.1
79.05486	0.6
81.03397	0.6
81.07031	0.6
83.08654	0.2
83.27059	0.1
85.02886	0.2
91.05463	0.6
92.02582	0.2
93.07068	0.7
95.08579	0.4
97.02862	0.3
105.07029	0.2
107.08572	0.4
109.10165	0.2
110.03649	0.6
119.08556	0.2
121.10137	0.2
132.19817	0.1
133.10208	0.1
135.11676	0.1
137.02348	2.3
150.03143	0.3
153.01825	1.3
157.81999	0.1
165.01740	0.2
166.02652	0.2
173.05954	0.2
177.05478	0.2
193.01369	0.3
200.04659	0.5
204.04152	0.5
217.05034	0.3
228.04169	2.4
229.04991	1.4
234.60760	0.1
243.06407	0.2
245.04475	1.1
246.05173	0.3
256.03677	0.7
256.61523	0.1
257.04459	1.4
258.05350	0.2
261.21991	0.2
269.31238	0.2
273.04025	0.9
274.04755	3.8
285.03979	0.9
285.06976	0.1
297.92453	0.1
301.03461	9.3
302.04227	43.9
303.04556	1.2
317.06573	100.0
318.06946	2.8
619.74622	0.1
739.32654	0.3
758.03485	0.2
769.56763	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	739.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
53.76861	0.7
55.01874	1.7
55.05516	4.4
57.03428	1.9
57.07054	1.1
61.02934	1.6
66.46718	0.8
67.05511	11.1
69.03429	8.3
69.07082	5.4
70.06599	4.0
71.04990	2.6
71.56129	0.9
72.08154	4.1
73.02936	1.1
79.05495	6.6
79.64616	0.7
81.03440	4.7
81.07064	17.8
83.01337	2.0
83.04992	1.5
83.08611	2.7
84.08158	1.1
85.02911	9.4
85.06545	2.3
86.09698	1.1
87.00834	2.9
90.52212	0.8
91.05489	6.1
93.07053	16.0
95.01339	1.7
95.04990	2.8
95.08615	21.9
97.02911	8.5
97.06542	2.2
97.10165	1.6
99.00815	8.0
99.04469	5.9
103.05492	1.0
105.01879	1.5
105.07049	7.4
107.04967	1.2
107.08597	12.8
109.02892	4.4
109.06515	2.2
109.10170	11.5
111.08151	1.0
113.02349	1.8
113.06019	1.2
115.03973	0.8
117.01859	1.4
117.07037	1.3
119.04936	1.8
119.08582	5.8
121.06519	1.6
121.10150	9.9
123.04385	1.2
123.08061	2.6
123.11723	4.3
125.06017	1.6
125.09639	1.4
127.03926	6.1
129.07001	0.9
131.04909	1.0
131.08588	2.2
133.06531	1.4
133.10162	4.7
135.04413	1.5
135.08040	2.2
135.11710	7.1
137.05991	3.8
137.09621	1.6
137.13258	1.5
139.07535	2.0
140.05327	0.8
143.08505	1.5
145.04993	1.4
145.10135	5.1
147.08025	1.5
147.11711	2.3
149.02379	1.7
149.05986	2.8
149.09644	4.0
149.13280	2.1
151.03940	1.3
151.07558	2.2
151.11198	1.1
153.05489	3.4
155.07071	1.8
157.10118	1.6
159.02939	1.3
159.11703	3.7
161.06015	1.4
161.09544	1.1
161.13240	1.6
163.03944	3.0
163.07576	2.2
163.11168	4.1
163.14830	2.8
165.09102	7.4
167.07021	0.9
171.08032	2.5
171.11728	0.9
173.13261	1.9
175.07555	2.7
177.05486	8.0
177.09157	2.3
177.12743	0.8
179.07086	1.0
179.10687	1.4
181.04961	12.9
183.06509	3.9
185.16142	0.8
187.14830	1.2
189.09122	17.4
191.06998	1.8
191.10686	1.5
191.14235	1.4
193.04968	0.9
193.10364	0.8
193.12105	1.3
195.06555	30.6
203.10722	4.3
205.12231	1.5
207.06534	3.3
209.08092	13.5
217.12373	1.2
221.08055	2.7
223.09674	17.7
231.13750	1.2
235.09605	2.7
237.11256	19.6
243.10144	1.3
249.11209	15.4
251.12808	2.6
261.11273	1.9
263.12854	5.3
265.14343	1.1
269.08127	5.7
275.12814	1.6
277.14362	1.5
277.19312	1.2
284.06815	2.5
289.14377	1.0
291.15945	1.7
292.38297	0.8
293.17480	2.0
299.09201	15.7
305.17554	2.8
307.19022	1.2
317.17651	1.2
359.22388	1.1
427.28671	1.3
455.27792	3.4
473.29022	92.3
474.29123	4.0
491.30063	100.0
492.30508	4.3
512.07990	0.8
578.12946	0.9
596.70905	0.9
739.36530	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	738.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.0
55.01892	1.4
55.05519	14.5
57.03437	5.3
57.07069	1.6
58.64326	1.2
59.06103	1.8
65.03941	2.0
65.15844	1.3
67.05510	47.9
69.03400	1.7
69.07072	14.8
71.04991	2.1
79.05500	52.4
81.03427	4.7
81.07063	43.9
83.04995	7.5
83.08634	6.9
85.06512	2.0
91.05486	39.3
91.63743	1.3
93.07051	46.1
94.07401	1.6
95.04969	12.2
95.08611	31.4
96.08981	1.3
97.10191	1.5
98.21495	4.1
101.07156	3.1
102.09213	2.3
105.04527	3.0
105.07038	28.1
107.04967	3.9
107.08597	16.8
109.06512	2.1
109.10162	9.8
117.07022	5.3
119.08593	14.4
121.10147	12.0
123.08079	4.3
123.11731	2.4
127.22411	1.6
128.06235	2.0
129.06995	9.9
131.08565	4.7
131.26900	1.5
133.10188	6.9
135.11717	7.3
143.08588	5.8
145.10150	6.0
147.11700	18.9
149.13286	2.2
159.11702	3.2
161.09668	2.3
161.13278	7.6
163.11247	1.6
171.11685	12.8
173.13280	1.8
189.12758	5.4
207.13852	11.0
261.22220	4.1
277.10846	1.3
281.17487	30.1
335.25800	47.7
335.29865	2.4
365.70587	1.3
402.26498	1.4
532.42334	1.5
540.45715	1.4
541.38928	100.0
542.38916	8.1
555.38928	1.7
558.47192	2.0
559.39636	1.9
564.95477	2.0
738.35254	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	733.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	7.5
55.46097	4.5
56.48288	3.5
57.03435	4.5
57.07082	100.0
58.04220	10.6
59.05007	38.6
67.05511	6.2
69.07078	4.8
69.15269	3.4
71.08279	6.3
71.08638	67.3
71.56805	4.8
72.05769	16.8
73.02913	12.5
73.06563	32.8
79.05441	3.4
81.07067	8.8
85.10194	54.1
87.04478	33.5
87.06897	3.8
88.49597	3.9
89.06039	36.8
90.01925	62.2
95.08596	7.4
97.10142	6.5
98.09740	3.8
103.07591	21.1
107.08576	3.7
116.08350	6.9
116.31025	3.4
117.09158	24.5
122.78073	3.3
133.08617	20.8
161.11743	8.6
175.09587	4.8
177.11258	6.3
179.12845	4.0
183.17436	4.8
208.15395	4.2
219.12271	4.3
222.09724	9.8
222.16998	7.6
252.18126	6.8
266.19577	8.1
271.16391	4.9
291.03247	3.5
296.20618	8.6
310.22250	8.9
312.20435	4.6
340.23160	5.7
354.25110	4.3
362.32550	4.8
386.65247	3.7
398.27063	3.6
406.35263	7.8
450.37906	11.7
494.40445	11.3
550.26117	3.9
582.45764	26.7
642.48407	4.8
680.51202	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	733.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.7
57.03440	20.9
57.07073	5.9
61.02930	5.4
65.03948	2.3
67.05509	31.4
69.03432	19.0
69.07074	29.0
69.97184	1.2
71.01360	11.4
71.55470	1.4
73.02922	48.7
79.05495	16.0
81.03419	5.6
81.07065	46.0
83.04978	2.5
83.08627	11.9
85.02425	2.8
85.02913	39.6
91.05482	20.5
93.07053	35.6
94.07393	1.2
95.01336	12.4
95.04977	5.0
95.08613	100.0
97.02895	42.5
97.06535	2.9
97.10185	8.2
99.00806	1.5
103.03947	3.6
103.05437	1.3
105.07038	40.3
107.04932	1.7
107.08599	56.5
109.02879	2.3
109.06451	1.4
109.10162	78.9
111.11736	5.5
113.02380	4.4
115.03927	22.6
117.07024	5.0
119.08588	57.0
121.10149	58.1
123.04442	1.5
123.11719	32.8
127.03967	2.6
129.07008	1.7
130.07805	1.3
131.03439	3.6
131.08575	9.6
133.04968	4.7
133.10141	49.3
135.11700	35.3
137.13261	11.6
139.03922	2.3
141.01834	33.8
143.08574	3.2
144.09378	1.6
145.10141	21.2
147.11693	39.8
149.13269	25.6
151.14839	2.8
153.05513	1.6
153.40237	1.4
157.10188	3.4
159.02937	6.4
159.11690	24.3
161.13264	38.1
163.14839	24.9
171.11655	3.3
173.13301	13.0
175.14830	22.4
177.16403	35.7
179.17952	3.6
185.13324	3.1
187.14847	23.2
189.16394	76.4
190.16650	2.1
191.17964	68.3
199.14909	3.4
201.16409	33.2
203.17979	52.1
205.19524	19.5
207.17433	4.1
213.16460	3.3
215.17963	20.6
217.07108	2.8
217.19545	41.3
219.21071	7.2
221.19051	3.0
227.17934	3.0
229.19527	20.7
231.21089	12.1
239.65877	1.3
241.19476	2.8
243.21086	10.1
245.22699	6.4
255.05046	1.5
255.21083	4.9
257.22629	8.7
259.24289	2.6
261.25748	1.7
269.22668	6.8
271.24249	10.1
273.05966	2.5
283.24277	3.7
285.25867	1.6
297.25803	14.1
311.27533	2.4
337.28961	1.9
365.32019	3.6
407.36752	64.9
408.37140	1.9
425.37805	5.1
733.45142	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	732.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.3
57.07079	73.1
59.05007	11.4
67.05510	0.7
69.07066	1.8
69.46796	2.4
69.47215	2.0
71.08636	48.7
73.02914	1.5
73.06566	3.8
79.05496	0.6
81.07064	0.9
83.08598	0.9
83.40895	0.5
85.10188	36.7
87.04474	16.3
89.06036	100.0
91.05494	0.8
91.07615	1.0
93.07064	0.7
95.08598	1.0
97.10154	1.2
99.11731	5.9
103.07584	6.7
105.07024	0.7
107.07086	2.3
113.13294	1.9
117.09129	3.8
130.08656	2.7
131.07048	5.5
131.08592	0.7
131.53041	0.6
133.08609	76.8
134.08957	1.1
155.17938	3.7
155.33931	0.6
161.11777	1.5
175.09666	4.7
177.11230	29.7
191.20416	0.6
213.22115	3.7
214.11049	0.7
219.12364	1.8
221.13763	5.2
239.14922	1.4
257.24780	3.6
261.85458	0.7
265.16431	0.6
270.53668	0.6
271.58838	0.6
274.68439	0.7
283.17508	3.1
309.19135	1.1
327.20297	1.3
371.22836	1.2
384.92737	0.6
397.24503	0.7
415.25415	1.3
459.28223	1.5
503.30704	6.5
732.54749	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	732.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13251	0.8
55.05503	3.0
57.07080	100.0
58.07404	0.9
59.05005	32.7
67.05495	2.1
69.03428	0.8
69.07057	3.3
70.06575	0.9
71.06514	1.9
71.08636	92.4
73.02908	0.9
73.06545	2.9
79.05489	1.4
80.34263	0.8
81.07049	2.2
83.08609	2.9
85.10188	96.4
87.04475	13.6
89.06039	83.4
91.05477	1.2
93.07048	1.3
95.08587	1.2
96.59254	0.8
97.10156	2.3
99.11746	12.7
101.06007	1.0
101.09669	2.6
101.71989	0.8
103.07581	1.7
105.06996	1.1
107.07056	2.7
107.08591	0.9
116.07123	1.0
117.09149	6.6
121.10126	1.1
125.13248	0.8
129.09064	0.9
130.08618	3.1
131.07077	5.0
133.08615	71.5
134.74136	0.9
140.78012	0.7
141.16405	11.2
151.09703	1.1
170.76544	0.8
175.09685	3.5
177.11226	27.5
179.12714	0.8
199.20589	20.5
219.12367	2.1
221.13794	4.4
222.30992	0.8
239.14949	1.3
240.23306	1.5
257.24796	8.2
280.64853	0.9
283.17548	2.1
309.19019	1.2
327.20178	1.8
346.12976	0.7
371.22565	2.1
415.25064	2.4
459.28040	11.7
460.28522	0.9
468.04779	0.9
517.32477	1.3
558.87860	0.9
604.95941	0.9
649.44360	1.1
732.55487	4.0
736.95740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
57.35497	1.5
65.03947	1.5
67.05502	3.7
69.03443	2.0
69.07061	2.5
69.82159	3.5
69.82549	3.6
70.06607	2.2
79.05499	7.3
80.05024	2.9
81.07063	2.5
85.02922	2.5
91.05474	8.2
93.05783	1.7
93.07058	8.4
94.06614	8.5
95.04999	3.0
95.08607	2.4
95.79646	1.5
96.08135	3.7
97.02893	5.4
103.05493	4.0
104.04994	1.6
105.05797	2.0
105.07033	2.6
106.06555	5.1
107.07315	2.9
107.08633	2.5
108.08131	16.2
109.10163	2.2
116.04988	3.2
118.06544	3.9
119.07311	2.2
120.04508	3.6
120.08125	40.2
121.08896	1.6
122.06042	29.2
122.09660	3.7
124.07574	3.5
124.35987	1.6
134.06004	2.9
134.09651	1.7
136.07578	31.0
136.23059	1.5
138.05444	3.3
138.09142	3.0
144.04477	5.7
146.06010	15.2
148.07584	100.0
150.09149	11.3
152.07083	26.3
153.05489	2.1
160.07608	2.8
162.05565	3.8
164.07062	14.8
166.08673	24.4
172.03946	26.5
174.05455	2.1
174.09163	3.0
176.07141	1.9
178.01730	1.7
180.10202	2.5
181.08862	2.4
182.09630	2.2
190.05009	18.0
195.09232	2.2
197.10733	4.2
198.11545	7.5
199.12347	2.3
204.06578	48.9
209.10742	4.8
210.11598	8.7
211.12297	16.5
212.09357	2.9
212.13072	6.2
213.10368	3.6
218.08067	2.0
221.10811	3.6
222.08287	2.0
223.08640	2.6
223.12323	10.6
224.09319	5.4
225.10277	12.8
225.13931	4.7
226.11055	13.0
227.11772	9.6
229.13260	2.1
235.08775	4.1
235.12302	4.6
236.09433	6.1
237.10220	19.9
237.13896	3.4
238.11006	19.0
239.11816	19.0
240.12585	2.7
241.09811	2.6
241.13524	2.4
246.07515	2.0
248.09521	3.1
249.10278	14.9
250.08835	2.1
250.10986	9.8
251.08116	2.2
251.11832	30.5
252.08728	11.8
252.12566	5.9
253.09700	7.8
253.13377	9.1
255.11296	10.5
256.12137	8.9
257.12579	1.7
262.11090	7.3
263.11804	29.7
264.08835	3.1
264.12686	9.5
265.09790	15.2
265.13309	12.0
266.10614	11.5
267.11307	32.7
268.11957	2.4
269.12726	8.9
271.11102	1.6
271.14545	11.3
273.12408	2.2
277.09738	8.5
277.13370	2.8
278.10388	8.6
279.11288	51.9
280.11966	8.6
281.12897	19.5
282.10153	3.5
282.13519	3.2
283.10822	9.1
284.11578	16.1
285.12357	68.4
287.13922	5.3
287.23682	1.8
289.15503	3.9
291.11252	27.5
292.12115	6.6
293.09543	3.2
293.12790	21.1
295.10855	6.0
295.14569	2.4
296.11526	8.3
297.12354	74.3
298.12781	3.4
299.13947	4.3
305.09146	2.7
307.10754	10.3
309.12384	29.1
310.13089	5.6
311.10284	5.8
311.13983	6.0
313.11993	2.5
315.13794	2.6
316.14548	3.9
319.10770	14.7
321.12372	27.0
323.10373	15.6
323.13843	2.5
325.11859	21.8
326.16486	1.8
327.13477	9.7
328.14328	2.7
329.15115	2.6
330.15897	4.3
337.11850	71.4
339.13516	13.8
341.15054	3.2
343.16656	3.9
344.17804	3.1
345.18079	2.6
351.13110	5.0
355.12912	6.4
356.13791	3.3
357.14639	3.9
358.15128	3.1
358.19196	2.7
359.12161	2.4
359.16238	2.8
367.13013	3.2
369.14243	8.4
372.17188	5.5
384.16995	2.8
385.13913	8.8
386.18555	5.5
388.16586	2.2
390.17838	2.8
400.16855	4.2
404.19717	7.7
411.11765	10.7
412.16531	4.1
413.13361	2.2
414.18326	3.8
416.15399	2.4
418.21729	3.3
428.20023	3.2
429.12811	2.9
430.17523	15.0
431.18234	3.0
432.19263	8.5
442.17429	4.6
443.14667	5.6
444.19342	3.0
445.15817	4.6
446.20682	5.5
448.18713	25.4
449.19336	3.5
450.20251	2.6
459.13770	3.0
460.18655	25.5
464.21899	4.1
465.15710	4.1
472.18781	11.0
474.20154	9.8
488.21750	6.3
490.19760	5.6
491.20694	9.4
492.21173	10.8
504.21054	3.2
508.20792	2.4
516.21307	3.6
518.19135	9.5
519.20270	2.9
520.20813	4.7
532.20825	14.5
533.21375	2.8
535.19543	32.6
536.20300	29.9
537.20245	2.3
544.16833	1.9
548.20007	7.2
562.18475	8.9
563.19116	11.6
564.19275	7.8
565.24133	2.2
567.25696	7.1
569.29956	2.6
576.19806	84.9
577.20178	13.7
578.21448	16.4
595.25562	17.4
608.22424	34.1
609.22845	12.0
610.23761	2.8
613.26605	24.5
637.26172	2.4
655.27661	6.7
681.25714	11.6
699.26617	62.1
700.26544	3.8
731.35645	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	731.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35830	0.6
53.03938	1.1
58.11988	0.6
60.45614	0.6
61.53176	0.6
65.03930	1.3
67.05517	5.6
69.07043	0.8
69.87129	2.0
69.87534	1.5
70.06593	1.0
72.08166	0.9
79.05501	5.8
80.05005	1.7
81.07045	1.7
91.05478	4.7
93.07055	7.4
94.06574	7.1
95.04962	1.2
95.07359	0.8
95.08600	2.5
96.08109	0.8
97.02864	1.4
103.05486	5.9
105.05782	1.0
105.07028	1.4
107.08553	0.7
108.04462	2.6
108.08118	9.0
109.10167	1.0
110.06030	0.9
110.09669	1.3
118.06532	2.0
119.07346	1.8
119.08598	1.4
120.08118	31.7
122.06044	15.5
122.09647	1.0
123.11752	1.2
124.07581	1.1
127.03938	1.1
132.04434	1.8
132.08122	1.2
134.06018	2.9
136.07593	13.7
138.09146	2.4
144.04512	0.6
145.05055	1.7
146.06006	1.9
146.09660	0.8
148.07584	73.7
149.07927	0.9
150.09125	4.6
152.07050	3.7
153.05484	2.3
160.03961	8.8
160.07640	0.8
162.05489	1.3
164.07085	5.0
166.08662	9.3
167.07031	0.9
168.08121	0.7
168.10210	0.9
172.03970	3.3
174.05559	0.8
176.10770	0.7
178.04991	3.0
190.05000	1.2
192.06645	1.3
196.09920	0.8
197.10820	1.3
199.08667	3.7
204.06596	3.3
208.09770	1.3
209.10767	2.5
210.09309	0.7
210.11485	0.9
211.08734	6.1
211.12274	3.4
212.09454	2.3
213.06694	1.0
213.10292	5.4
220.09915	0.8
221.10738	1.8
222.11528	2.7
223.08685	8.8
223.12143	3.5
224.09349	3.0
224.12985	1.3
225.10249	20.3
225.13870	2.0
226.10992	9.3
227.08284	1.1
227.11818	6.8
234.11621	0.9
235.08685	4.7
235.12321	4.0
236.09402	2.9
236.13004	1.5
237.06592	0.7
237.10239	13.2
237.13815	4.1
238.10994	8.6
239.08182	10.7
239.11818	24.3
239.15483	1.1
240.08897	0.7
240.12584	6.3
241.09647	1.7
241.13191	1.7
247.08516	0.6
247.12451	0.9
248.09604	3.2
248.13153	0.7
249.10225	13.1
250.11005	11.6
251.08211	8.5
251.11818	33.0
252.08704	12.8
252.12506	7.3
253.09744	10.7
253.13400	15.4
254.10504	15.1
255.11304	2.2
255.14903	1.2
257.12949	1.3
261.10254	0.8
262.10941	0.9
263.11816	22.1
264.08978	1.8
264.12598	10.9
265.09796	12.9
265.13382	32.8
266.10544	4.9
266.14017	4.6
267.11313	9.8
267.14890	3.3
268.12054	1.5
269.12881	3.1
271.10843	3.1
271.14520	0.9
275.11768	2.0
277.09796	5.5
277.13037	1.5
278.10480	4.9
279.11292	15.5
280.12161	1.5
281.09564	0.6
281.12845	17.6
282.10184	1.0
282.13586	4.2
283.10809	9.1
283.14404	7.2
284.11572	2.6
285.12363	16.0
286.13083	3.6
291.11346	6.2
292.11969	2.2
293.09641	1.4
293.12878	12.1
294.10342	1.0
294.13608	4.4
295.10809	4.5
295.14474	2.7
296.11575	7.2
297.12350	12.2
298.13126	4.6
299.13925	18.0
305.09186	1.0
307.10876	1.0
308.11435	0.7
309.12350	74.3
310.12930	4.9
311.13910	42.0
312.14529	0.8
313.11887	1.6
313.15448	0.8
315.14096	0.9
319.10992	3.4
320.11694	1.7
321.12375	14.0
323.10352	1.4
324.10944	1.9
325.11826	4.0
326.12711	2.4
327.13419	100.0
328.14020	3.4
330.16019	1.6
335.14026	1.0
337.11816	17.2
338.12643	6.5
339.13449	20.7
341.14972	4.8
344.13934	1.5
344.17728	0.9
345.14557	1.3
351.13498	1.2
353.15002	2.0
356.13940	1.2
357.14502	5.2
358.15387	3.4
359.16049	14.6
360.16989	1.2
369.14478	46.8
370.15237	5.5
371.16040	49.6
372.16797	2.3
386.18790	1.5
402.18143	1.2
404.19659	7.6
411.12009	1.2
414.18198	2.0
416.19766	9.7
418.17358	1.1
420.19257	1.2
425.37250	0.9
430.17609	5.2
432.19238	20.0
433.19632	1.0
442.17715	2.9
446.20807	1.6
447.31940	0.9
448.18750	25.0
456.19308	1.1
460.18695	52.1
461.19031	1.9
472.18481	1.1
474.20584	4.3
478.19901	0.8
480.21356	39.9
481.21661	1.3
492.21313	67.6
493.21710	2.5
504.21518	1.4
506.22870	2.5
532.21222	1.8
533.21802	2.5
534.22394	6.4
536.19836	1.0
550.21606	2.0
560.20221	11.3
567.26099	1.7
576.20123	1.7
577.21289	1.2
578.21375	46.6
579.21710	1.0
592.22766	1.4
595.25537	6.4
609.23376	6.1
610.24017	3.5
613.26196	1.8
627.28387	4.4
643.16547	0.8
655.27502	3.0
671.26642	0.9
681.25305	2.8
699.26624	10.7
700.27435	0.8
713.27295	1.0
731.30884	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.3
55.05510	1.6
65.03934	5.2
67.05516	6.0
67.05855	1.1
69.03435	3.0
69.07054	2.3
69.29119	4.9
69.29548	7.0
70.06586	3.5
72.08146	2.3
79.05509	7.0
80.05023	1.3
81.03403	3.4
81.07069	4.4
85.02899	2.8
85.03394	1.2
86.09726	1.3
91.05486	5.0
92.05010	1.5
93.07078	6.6
94.06577	9.2
95.04977	3.4
95.08618	2.5
97.02887	3.3
97.06536	2.1
103.05497	3.2
105.07029	3.5
106.06522	1.7
107.08600	2.0
108.04477	2.9
108.08118	12.3
109.02828	2.7
109.06531	1.4
109.10177	2.9
110.74339	1.1
116.04971	6.0
118.06560	2.4
119.08606	2.2
120.04493	10.0
120.08112	28.6
121.10152	1.7
122.06045	17.4
124.07614	3.9
127.03899	1.7
128.06281	1.8
129.07001	1.7
131.04898	1.7
132.04436	1.3
133.10124	2.2
134.06017	4.4
135.11653	2.2
136.07590	19.4
137.06018	2.1
137.09650	1.4
138.05505	1.9
138.09135	1.9
143.08569	1.7
144.04459	11.2
146.06023	12.7
147.04376	1.7
147.08015	1.5
148.06375	2.3
148.07570	42.1
149.09590	1.6
153.05498	5.4
160.03914	3.8
162.05498	6.7
163.03908	2.1
164.07082	6.6
166.08699	2.2
167.07204	2.6
170.06061	1.6
172.03947	36.6
174.05498	3.4
176.07060	3.5
180.08136	1.4
180.57951	1.6
181.12277	1.5
182.09712	3.0
184.09917	2.1
186.05453	3.0
186.09169	1.6
190.04999	27.4
196.09930	3.0
197.10727	5.8
199.12297	4.7
204.06570	59.5
208.09845	2.2
209.10777	3.6
210.07503	1.5
210.09128	4.0
210.11377	1.5
211.08798	5.9
211.12250	2.2
212.09430	4.4
213.10284	3.0
221.10681	1.9
223.12349	3.6
224.09334	3.7
225.10214	18.4
226.10901	1.9
227.11783	30.3
234.09142	1.6
235.08627	2.5
236.09370	7.0
237.10310	7.9
238.11034	4.2
239.11790	5.9
241.09607	2.7
241.13377	2.6
243.11089	1.4
248.09430	1.4
249.10274	5.0
250.10997	2.6
251.07933	1.7
251.11766	10.7
252.08681	7.3
253.09743	13.0
253.12428	1.4
253.13321	1.3
255.11272	7.3
263.08136	4.0
263.11649	2.1
264.08997	10.2
265.09644	3.4
266.10611	1.4
267.11282	4.9
269.09930	1.9
269.12854	25.2
271.10764	18.9
272.11502	1.7
273.12341	3.0
277.09653	5.1
278.10477	3.3
279.11279	23.1
281.09579	1.5
281.12857	4.9
283.10736	7.2
284.11606	3.9
285.12308	6.5
286.13248	2.5
287.13901	30.5
291.11215	2.9
295.10736	3.4
297.12424	9.7
302.12964	2.0
303.01846	1.3
305.09027	1.5
307.10748	15.2
309.12381	1.6
311.14090	2.2
312.15073	2.5
313.12604	3.1
314.12921	5.5
315.13620	5.3
316.10901	2.4
316.14426	3.4
321.12277	3.9
323.10284	11.8
325.11823	9.4
326.12851	2.0
326.16464	2.6
327.17328	1.6
328.10757	7.6
328.14432	4.8
329.11520	2.0
329.15225	2.3
330.16003	5.4
330.49222	1.4
331.16965	3.0
337.11896	2.4
339.13492	20.6
340.14227	2.4
341.11630	3.4
342.12378	13.8
342.16010	1.6
343.12982	7.3
343.16760	1.4
344.13828	2.6
344.17545	1.8
352.14505	2.0
354.12109	2.5
354.15939	3.3
355.13254	3.0
356.13806	7.4
357.14557	4.2
358.15549	4.6
359.12317	10.0
365.11319	17.6
367.13144	4.5
369.15048	2.3
370.11777	1.3
370.15744	8.6
371.16498	1.5
372.17224	2.0
378.18051	2.4
380.13937	1.8
382.11774	7.8
383.12585	4.2
384.13141	6.8
385.13953	12.0
386.14832	3.7
386.18781	3.5
388.16498	3.1
390.18188	4.4
394.15628	1.9
397.14166	4.1
398.15002	29.1
399.15778	38.9
400.16241	3.0
401.13693	2.4
402.17953	2.6
404.16159	7.0
411.11877	35.9
412.16629	5.3
413.13376	2.5
414.18039	5.2
416.16055	27.9
417.16678	3.5
422.16977	3.0
428.16055	4.5
429.13058	4.0
430.17780	4.6
440.16211	12.2
443.14423	6.6
445.29456	2.9
446.17191	16.0
448.18811	1.9
458.17130	46.7
459.17569	2.5
481.31812	2.8
490.19788	4.7
505.22815	2.1
565.24542	10.5
575.22607	3.5
593.23993	21.5
609.26666	3.1
611.25104	33.7
625.26294	2.4
635.25049	7.2
639.30255	1.4
641.11670	1.3
653.26111	25.5
654.26227	1.7
655.24054	9.6
669.26251	2.4
679.23895	8.9
697.25049	100.0
698.25031	5.6
729.27423	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
55.05506	3.0
65.03942	1.6
67.05515	7.1
69.03433	2.9
69.07059	2.7
70.06574	2.5
71.04987	1.6
72.08153	2.1
74.01504	1.3
79.05510	6.6
79.36533	1.2
80.05023	1.4
81.07062	7.8
83.04996	1.4
83.08611	1.7
84.95506	1.2
85.02913	2.7
86.09696	1.6
89.03854	1.1
91.05466	4.5
93.07079	7.4
94.06562	5.1
95.04936	1.9
95.08601	3.6
97.02885	4.0
97.06525	3.6
103.05432	2.5
105.07025	3.4
107.04960	1.6
107.08601	3.4
108.04464	3.0
108.08084	4.8
109.02882	1.7
109.10173	2.5
116.04980	4.5
118.06544	2.0
119.04958	2.0
119.08582	2.4
120.04470	4.2
120.08115	15.9
121.10139	3.2
122.06039	18.3
127.03927	2.3
133.10165	1.8
134.06023	3.0
135.08052	1.4
136.07597	18.3
137.05942	2.1
138.05461	1.4
144.04460	10.2
145.10121	2.0
146.05994	6.0
148.07581	26.3
153.05455	3.4
160.03967	2.5
162.05501	6.6
163.03934	2.7
163.26802	1.3
164.07037	3.0
167.07054	1.7
172.03951	54.1
174.05450	2.0
177.12796	1.4
182.09769	1.7
182.74529	1.1
190.05016	13.4
197.10646	3.0
199.12376	1.6
204.06580	100.0
205.06969	2.4
209.10754	1.4
210.09317	2.0
211.08688	2.7
212.09346	2.4
213.10486	1.2
223.12323	1.8
224.09348	1.5
225.10258	12.0
226.10962	1.5
227.11804	17.6
228.12231	1.4
229.11414	1.2
236.09406	3.3
237.10287	4.9
238.11067	2.2
239.11752	3.7
249.10530	1.7
251.11803	5.2
252.08682	2.3
253.09656	6.4
255.11273	4.6
263.08136	1.9
264.08984	4.0
265.09674	2.7
267.11163	1.8
269.12857	12.0
269.17480	4.3
270.17865	1.9
271.10721	12.9
278.10532	1.7
278.21896	1.1
279.11279	10.0
281.12720	1.9
282.93408	1.5
283.10736	5.1
284.11588	4.1
285.12332	5.3
287.10999	1.3
287.13959	19.8
295.10617	2.4
297.12375	6.9
307.10818	6.9
311.14102	3.9
312.68890	1.2
313.12405	1.5
314.12781	2.1
315.13538	3.8
316.10934	1.3
316.14252	2.4
323.10226	9.8
325.11880	2.7
327.17242	1.6
328.10718	3.0
328.14432	3.7
328.18066	1.3
330.16006	2.7
331.16797	1.8
339.13507	25.2
340.14178	1.8
341.11511	2.4
342.12274	8.6
343.13126	6.0
351.25208	3.9
352.25586	3.7
353.12793	1.4
354.16376	1.4
355.13116	2.2
356.13818	7.3
357.14642	2.1
358.15488	4.6
359.12411	5.7
365.11011	3.5
370.15494	4.8
378.18124	2.1
382.11880	4.1
383.12534	2.1
384.13232	3.8
385.14288	7.1
386.18848	2.5
390.18036	1.9
398.15085	18.9
399.15781	23.4
400.16559	1.7
404.16052	4.0
411.11758	7.7
412.16559	3.3
414.18042	5.2
415.15033	1.8
416.16064	23.5
422.16928	2.5
428.15906	1.9
430.17657	2.5
440.16080	5.6
443.14423	18.6
446.17337	7.5
458.17133	25.6
490.19696	6.5
565.24463	6.0
567.27197	2.6
575.22565	2.1
593.23724	8.8
609.26666	2.4
611.25195	18.1
625.26129	2.0
635.24146	1.4
653.25958	17.7
654.26392	1.6
655.24115	5.9
679.23627	3.7
697.25079	73.0
698.24829	3.3
729.33728	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
58.49666	0.7
65.03936	1.7
67.05502	1.3
68.01406	0.7
69.07061	0.9
69.21999	7.5
77.03960	0.8
79.05487	3.4
81.03418	0.9
81.07085	0.9
89.03935	1.6
91.00920	0.7
91.05482	2.7
92.05024	1.7
93.07040	3.5
94.06577	7.8
95.04984	1.6
97.06539	1.1
103.05491	3.9
104.06116	0.8
106.06562	1.8
108.04466	3.1
108.08110	9.7
116.04981	4.9
118.06533	1.6
119.07355	1.7
120.04482	7.9
120.08114	25.7
122.06037	14.4
124.07600	2.4
131.07132	0.8
132.04436	1.1
132.08086	1.3
134.06018	4.2
136.06535	0.9
136.07574	17.2
138.05505	2.3
144.04451	8.8
144.08189	1.1
146.06027	11.0
148.06401	1.8
148.07582	36.8
152.07063	1.8
153.05473	0.9
157.10068	1.0
158.09633	1.2
160.03929	4.6
160.07568	1.5
161.56982	0.7
162.05544	4.4
163.04080	0.7
164.07062	5.0
166.08643	1.9
168.08165	1.0
172.03947	33.0
172.07596	1.9
174.05518	3.1
176.07019	2.4
182.09651	2.9
183.09122	1.4
184.09915	1.6
186.05507	3.0
186.09195	1.4
187.08678	0.9
188.07169	1.2
190.04994	23.1
195.09186	1.3
196.09891	2.0
197.07161	1.0
197.10651	3.9
198.09264	1.7
198.11632	1.0
199.08667	2.3
199.12338	3.8
201.10132	0.9
204.06578	50.3
206.09764	1.1
207.09108	1.9
208.09915	2.6
209.10709	3.8
210.07629	1.3
210.09415	1.4
210.11470	1.7
211.08655	6.3
211.12354	3.0
212.09415	4.4
213.10165	1.5
219.08968	0.9
221.10802	1.9
223.08661	1.7
223.12318	3.5
224.09396	3.3
225.10233	17.8
226.11002	2.3
227.11807	26.6
228.12292	1.0
233.10707	0.8
234.11372	0.8
235.08679	1.9
236.09477	5.4
237.10211	7.0
238.11028	2.7
239.11789	4.6
241.09718	2.7
241.13402	1.8
243.11263	1.1
249.10295	3.2
250.11006	2.7
251.08119	1.2
251.11850	10.3
252.08658	4.8
253.09744	11.0
253.13150	1.6
254.10463	1.2
255.11310	6.0
263.08228	2.9
264.08939	7.4
265.09735	4.4
266.10574	2.0
267.11197	3.9
269.12869	24.2
270.09985	0.8
270.13242	1.0
271.10815	17.2
273.12369	2.1
277.09863	4.1
278.10568	3.0
279.11298	19.8
281.09503	1.1
281.12817	4.3
283.10782	7.9
284.11560	5.4
285.12405	7.0
286.13205	1.2
287.13904	25.4
288.14514	1.0
291.11475	1.3
293.09174	2.0
293.12515	1.3
294.09998	1.6
295.10791	3.1
297.12338	9.8
300.11331	2.6
301.12201	2.3
302.13034	1.0
305.09174	1.9
307.10779	12.9
308.11691	0.9
309.12302	1.6
311.14389	1.4
312.11612	1.0
312.15082	1.8
313.12241	3.9
314.12921	4.9
315.13672	4.0
316.10831	1.7
316.14426	3.2
317.15216	1.4
321.12390	3.0
323.10229	9.7
325.11813	6.4
326.12970	1.7
326.16568	1.5
327.13876	1.1
327.17371	1.2
328.10794	7.1
328.14478	4.4
329.11618	2.0
329.15295	1.1
330.12564	1.5
330.16052	3.9
331.13223	1.3
331.16879	3.5
337.12076	1.0
338.12976	0.9
339.13477	18.7
340.14258	3.3
341.11392	4.2
341.15317	1.6
342.12399	13.2
342.16040	1.6
343.13101	6.7
343.16946	1.2
344.13919	2.7
344.17715	1.3
352.14633	1.3
353.12280	1.1
354.12308	1.9
354.16324	1.5
355.13184	3.0
355.17093	1.8
356.13885	9.2
356.17734	1.2
357.14819	3.3
358.15521	5.6
359.12378	7.7
360.12726	0.8
365.11365	17.4
366.16055	1.1
367.13120	4.8
367.16907	0.9
368.13947	1.9
368.18082	1.2
369.15161	1.2
370.11655	1.7
370.15598	8.2
371.16058	3.0
372.17166	2.1
378.18076	2.5
380.13757	2.2
382.11661	5.0
383.12445	5.7
384.13162	4.3
384.17532	1.8
385.14020	8.9
386.14862	3.4
386.19299	3.6
388.16745	2.3
390.18094	5.5
394.15784	1.6
396.12674	1.2
397.13992	4.2
398.15024	27.1
399.15768	29.3
400.16467	3.8
401.13489	1.0
402.18268	1.9
404.15930	8.3
411.11890	31.5
412.16504	3.2
414.18173	6.4
415.14902	1.0
416.16058	25.7
417.16699	1.8
422.17267	4.1
428.16095	4.3
429.12885	2.7
430.17679	5.0
440.16089	9.5
443.14474	7.7
445.16132	0.8
446.17062	13.4
447.17468	1.1
448.18402	1.2
458.17130	40.8
459.17532	1.2
490.19608	4.7
500.17703	1.6
505.22324	1.5
523.23511	1.5
533.21234	1.0
551.22675	1.4
565.24469	8.1
575.23077	2.1
583.25189	1.3
593.23883	19.6
594.24536	1.8
609.27008	3.6
611.24976	28.2
612.25385	1.8
625.26434	2.2
635.24866	4.0
643.27936	1.2
653.26068	22.6
654.26117	1.5
655.24048	7.3
679.23804	9.4
697.25055	100.0
698.25311	7.4
729.27960	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	728.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01862	3.7
55.05515	17.2
57.03449	12.2
57.96326	1.4
61.02924	9.0
65.03944	1.6
67.05177	2.8
67.05510	39.0
69.03432	9.6
69.07069	16.5
70.06578	7.5
70.11044	5.5
71.04984	3.4
71.08626	16.2
72.08142	4.7
73.02909	4.5
79.05494	30.1
81.03422	13.5
81.07059	52.2
83.04980	8.1
83.08626	13.6
84.08123	2.1
85.02904	16.1
85.06532	4.3
91.03983	8.0
91.05471	21.3
93.07046	36.3
95.04970	9.6
95.08609	25.8
97.02903	15.2
97.06521	10.4
97.10181	9.4
97.10691	1.6
99.04455	2.4
99.08089	13.5
103.05462	1.7
105.07011	16.1
106.07299	1.8
107.04940	3.9
107.08597	21.0
109.02856	3.7
109.06507	2.0
109.10159	13.0
111.08080	5.2
115.05384	2.1
117.07044	8.8
117.09125	2.2
119.08589	9.7
121.06533	3.3
121.10142	15.0
123.04404	2.3
123.08082	2.5
123.11682	4.6
125.09632	8.8
127.03905	10.9
129.06982	3.0
131.08563	7.3
133.06546	1.8
133.10138	10.6
135.08066	2.6
135.11693	10.1
137.06023	2.3
137.09563	1.8
143.08553	2.7
145.04973	3.2
145.10069	5.4
147.04411	2.0
147.11679	4.9
149.09674	2.4
149.13248	16.9
151.11168	11.1
153.05473	6.2
157.10124	3.1
159.11703	16.1
161.05888	2.6
161.13249	10.3
163.03893	4.6
163.06007	3.3
163.11169	4.8
163.14812	2.6
167.07065	3.7
171.11600	3.1
173.04599	1.5
173.11752	7.2
173.13162	3.6
175.14857	3.6
177.12764	22.4
179.14288	9.8
185.13203	2.2
187.07469	1.9
189.09116	1.6
189.11183	4.1
191.14311	1.8
193.16092	2.0
195.13774	6.5
199.14729	1.8
227.12827	9.9
229.14345	8.6
241.19496	2.8
245.13701	2.8
249.21945	2.7
251.16426	4.9
253.18076	1.8
259.20508	5.5
269.17487	100.0
270.17834	2.4
277.21664	18.4
351.25281	92.8
352.25674	4.2
369.26300	7.8
389.17728	2.1
413.21594	3.3
513.30573	3.3
675.35535	1.8
722.73785	2.1
728.35168	24.5
729.35278	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	728.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01862	3.7
55.05515	17.2
57.03449	12.2
57.96326	1.4
61.02924	9.0
65.03944	1.6
67.05177	2.8
67.05510	39.0
69.03432	9.6
69.07069	16.5
70.06578	7.5
70.11044	5.5
71.04984	3.4
71.08626	16.2
72.08142	4.7
73.02909	4.5
79.05494	30.1
81.03422	13.5
81.07059	52.2
83.04980	8.1
83.08626	13.6
84.08123	2.1
85.02904	16.1
85.06532	4.3
91.03983	8.0
91.05471	21.3
93.07046	36.3
95.04970	9.6
95.08609	25.8
97.02903	15.2
97.06521	10.4
97.10181	9.4
97.10691	1.6
99.04455	2.4
99.08089	13.5
103.05462	1.7
105.07011	16.1
106.07299	1.8
107.04940	3.9
107.08597	21.0
109.02856	3.7
109.06507	2.0
109.10159	13.0
111.08080	5.2
115.05384	2.1
117.07044	8.8
117.09125	2.2
119.08589	9.7
121.06533	3.3
121.10142	15.0
123.04404	2.3
123.08082	2.5
123.11682	4.6
125.09632	8.8
127.03905	10.9
129.06982	3.0
131.08563	7.3
133.06546	1.8
133.10138	10.6
135.08066	2.6
135.11693	10.1
137.06023	2.3
137.09563	1.8
143.08553	2.7
145.04973	3.2
145.10069	5.4
147.04411	2.0
147.11679	4.9
149.09674	2.4
149.13248	16.9
151.11168	11.1
153.05473	6.2
157.10124	3.1
159.11703	16.1
161.05888	2.6
161.13249	10.3
163.03893	4.6
163.06007	3.3
163.11169	4.8
163.14812	2.6
167.07065	3.7
171.11600	3.1
173.04599	1.5
173.11752	7.2
173.13162	3.6
175.14857	3.6
177.12764	22.4
179.14288	9.8
185.13203	2.2
187.07469	1.9
189.09116	1.6
189.11183	4.1
191.14311	1.8
193.16092	2.0
195.13774	6.5
199.14729	1.8
227.12827	9.9
229.14345	8.6
241.19496	2.8
245.13701	2.8
249.21945	2.7
251.16426	4.9
253.18076	1.8
259.20508	5.5
269.17487	100.0
270.17834	2.4
277.21664	18.4
351.25281	92.8
352.25674	4.2
369.26300	7.8
389.17728	2.1
413.21594	3.3
513.30573	3.3
675.35535	1.8
722.73785	2.1
728.35168	24.5
729.35278	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	728.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
54.07019	0.5
55.01881	2.4
55.05514	6.0
56.05040	2.0
57.03436	3.0
59.98771	0.5
61.02929	11.6
67.05511	4.4
68.05047	1.1
69.03436	11.6
69.07077	1.5
70.02975	0.6
70.06599	7.9
70.84200	0.8
70.84524	0.8
71.01375	1.2
71.04997	83.3
72.04523	0.7
72.05324	0.6
72.08163	1.0
72.75352	0.5
73.02924	8.1
78.85099	0.5
79.05495	6.0
80.05048	0.6
81.03429	5.3
81.07069	2.1
82.06591	0.8
83.04985	0.6
83.08638	3.6
84.04528	0.6
84.08146	5.1
85.02909	12.9
86.03171	0.5
86.06069	7.5
86.09670	0.7
87.04496	1.2
88.03992	3.0
89.03924	1.3
90.04265	0.7
91.03958	6.6
91.05491	1.6
93.07049	2.1
94.06534	0.9
95.05011	0.5
95.08630	0.7
96.04477	0.6
96.08137	9.1
97.02898	11.1
97.10169	6.6
98.06068	3.5
98.07316	0.8
99.04480	1.5
101.02396	2.0
103.04005	0.6
105.07054	1.2
106.06621	1.0
107.04955	3.0
107.08595	4.4
108.60580	0.5
109.02864	3.6
109.06554	0.5
109.10175	1.6
110.03280	0.5
111.08097	2.1
112.07616	4.2
114.05573	1.0
114.09209	0.6
115.03928	0.8
117.03345	2.4
117.07002	1.3
118.03741	0.5
119.08620	0.8
122.05989	0.6
123.04487	0.5
123.08114	0.8
124.07592	4.5
125.09634	6.1
127.03920	24.4
128.04272	4.7
128.07040	0.5
129.06972	0.7
130.08624	0.5
133.06451	0.6
135.02644	0.5
135.04411	3.1
135.08037	3.5
136.04776	0.6
138.09152	0.5
141.07867	1.1
142.08636	7.6
145.02884	2.3
145.04997	1.4
146.03221	1.2
147.04440	1.1
153.09119	3.2
158.08124	5.2
163.03912	17.8
163.05211	1.1
163.11140	0.7
164.04236	6.5
170.08130	3.6
171.10161	0.6
176.66812	0.5
177.05441	0.8
189.11273	2.3
195.06543	0.5
202.10846	0.7
214.66745	0.5
227.12704	2.6
245.13783	1.1
248.16504	0.9
295.04651	0.5
328.21140	1.0
354.23920	0.5
376.91296	0.5
386.21622	1.1
404.22882	4.1
566.27979	3.1
696.34882	1.1
728.33337	100.0
729.33350	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	727.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01869	1.7
55.05518	4.6
57.03426	1.9
57.07071	1.8
61.02920	1.6
67.05503	7.7
68.99789	1.1
69.03429	8.5
69.07069	9.0
69.95481	1.9
70.05527	0.6
70.06564	0.6
71.04998	1.1
72.08150	0.6
73.02912	1.7
79.05502	4.1
81.03418	8.9
81.07062	16.9
83.01360	1.1
83.04970	1.2
83.08611	3.2
85.02905	8.7
85.06561	2.7
87.00842	3.4
91.03973	0.9
91.05482	2.5
93.07041	3.4
95.01328	0.9
95.04980	1.4
95.08608	11.4
95.09167	0.9
97.02889	5.0
97.06522	1.2
97.10164	1.7
98.20715	0.6
99.00811	5.1
99.04465	3.9
99.08057	1.0
105.01870	2.5
105.07044	2.1
107.04970	0.6
107.08606	2.1
109.02873	5.2
109.06551	0.7
109.10159	6.0
111.04421	0.6
113.02402	0.6
117.01869	0.8
117.07029	0.8
119.08600	1.7
121.06498	0.9
121.10149	1.1
123.04445	0.8
123.08028	0.7
123.11712	2.6
125.06017	0.6
127.03916	8.9
129.01881	0.8
129.07008	0.6
131.08531	0.7
132.08914	0.6
133.10159	1.2
135.04431	0.9
135.08095	1.2
135.11748	0.8
137.05988	1.9
137.13280	1.3
139.07547	1.0
145.04945	1.6
145.10153	0.7
147.11742	0.7
149.02359	0.8
149.05971	1.5
149.09604	0.6
149.13246	0.8
151.07529	1.6
153.05446	4.5
155.07011	0.8
159.02921	1.8
159.11710	0.7
161.05988	0.9
163.03883	3.9
163.07579	1.8
165.05466	0.7
165.09142	1.6
167.07062	1.2
171.08047	0.9
174.09169	0.6
175.07603	1.4
175.11273	0.7
177.05493	2.2
177.09129	1.6
177.12785	0.7
179.10909	0.5
181.04980	8.5
183.06494	3.0
189.09102	7.2
189.16423	0.5
191.07065	1.8
191.10692	1.2
195.06541	18.2
203.10690	1.6
205.08649	1.4
207.06586	1.6
209.08118	9.0
221.08078	1.0
223.09662	13.2
223.11674	1.1
231.04915	0.7
235.09671	2.0
237.11217	14.7
245.01410	0.5
249.11234	8.4
251.12798	4.2
255.16026	0.6
256.47342	0.6
263.12769	2.4
265.14297	2.6
269.17581	1.9
270.17838	1.5
277.14438	1.4
279.15982	1.4
291.15988	1.1
293.17532	2.6
305.17599	1.0
307.18930	3.0
319.19061	2.2
328.29025	0.8
333.20749	0.7
347.22260	0.8
349.23700	1.5
350.24069	1.4
361.23895	1.0
370.12198	0.6
443.31882	3.2
461.32639	100.0
462.33038	4.8
479.33765	19.1
499.21414	0.8
641.39001	0.9
651.38007	0.6
709.37976	8.1
727.29004	0.6
727.39142	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	727.261
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99703	2.0
53.03949	2.6
55.05522	2.3
65.03951	3.8
67.05497	6.9
67.42962	2.1
67.52200	2.2
70.73917	3.8
70.74231	3.0
72.08146	5.9
76.02702	2.9
77.68602	2.3
79.05495	10.8
80.05021	2.3
81.07064	4.3
82.21090	2.3
91.05492	5.4
93.07053	8.0
94.06578	17.1
95.05000	2.8
95.08620	3.1
97.02888	3.9
103.05494	5.0
105.07026	3.0
108.04508	2.5
108.08126	21.0
110.09650	3.4
118.06560	3.7
120.08113	44.4
122.06042	58.1
124.49491	2.4
127.03981	3.3
130.70628	2.3
134.06068	3.7
136.07593	43.8
138.05507	3.1
144.08109	2.9
146.06082	3.4
147.04564	2.5
148.07588	57.5
153.05562	2.9
163.03954	5.0
211.08713	3.3
221.10738	5.4
225.10324	3.8
235.08766	7.2
237.10216	5.5
247.08823	7.2
248.09596	4.2
249.10249	42.4
251.12025	4.5
252.08664	5.0
261.10345	4.4
263.11804	3.1
275.08255	3.3
277.09775	27.2
278.10443	2.6
293.09402	5.5
309.12439	13.5
312.11459	6.6
313.12955	2.4
314.12845	3.7
315.13644	2.8
321.12329	4.0
322.13367	5.4
323.11417	2.7
324.11761	4.1
326.12994	10.5
327.14102	3.2
328.11017	3.5
328.14682	3.5
336.15109	5.1
337.16263	3.6
338.12994	5.4
338.16595	5.5
339.14267	5.2
340.10831	9.5
340.14490	12.9
341.11703	4.0
341.15393	3.1
342.12427	6.8
342.16138	3.7
350.13080	5.5
352.14627	6.5
353.11700	5.8
354.12375	23.2
354.16092	2.8
355.13165	11.0
356.14035	16.8
356.17563	4.2
357.14874	3.1
364.14581	12.5
365.15466	4.7
366.12210	5.6
366.16144	10.2
367.13327	7.8
368.10324	3.8
368.14072	30.9
369.14844	21.2
370.15601	7.7
380.14001	6.6
382.11209	18.6
382.16150	16.7
383.12201	3.2
383.16385	8.5
384.17163	22.0
386.14905	3.3
392.14063	12.7
394.15918	6.4
395.12631	7.4
396.13416	20.7
397.14288	8.6
398.14536	3.4
398.18851	26.2
408.13342	5.9
410.14993	15.6
411.15921	4.4
412.16574	24.2
413.13449	4.0
414.14362	5.4
415.15103	4.8
416.15662	2.7
420.13571	6.8
426.14078	5.0
428.16071	15.3
429.16919	5.2
438.14554	68.5
439.15216	3.4
442.17712	6.3
444.19748	15.7
447.17929	2.8
452.16003	9.8
456.15567	100.0
458.17313	8.8
470.17175	16.3
476.18085	29.7
488.18243	31.4
503.20633	3.2
563.22925	8.4
573.22235	3.3
577.24469	4.8
591.13629	5.0
591.22412	61.1
592.22406	3.4
595.25635	25.6
605.24066	6.7
623.25085	64.1
624.24805	4.2
633.23175	5.3
641.26038	14.2
651.24866	12.0
655.27454	3.7
665.25549	18.1
677.22668	5.2
683.27124	98.2
684.27448	4.4
695.23694	21.6
709.25226	14.9
727.26038	82.8
728.26569	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	727.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
53.03951	2.3
55.01861	2.8
55.05506	2.8
57.03432	2.9
58.45169	0.9
61.02917	1.7
65.03964	2.3
67.05511	6.8
68.99797	14.6
69.03445	2.4
69.07066	2.9
69.38475	8.6
70.06578	1.3
71.01355	1.3
71.04972	1.6
72.08157	1.3
79.05505	13.1
81.03426	2.8
81.07066	8.9
83.04954	1.1
85.02908	4.5
91.03952	1.0
91.05489	15.7
93.07039	6.7
94.04208	2.0
95.04965	6.5
95.08615	3.6
97.02889	4.0
97.06548	1.9
103.05454	9.3
105.03444	1.9
105.07036	15.0
106.04207	2.1
107.04959	7.6
107.08604	3.1
109.02845	1.2
109.06533	3.6
109.10160	2.8
110.03701	1.2
115.05462	3.0
117.07027	1.8
119.04955	8.1
119.08577	3.1
121.06523	2.3
121.10143	2.2
122.03635	4.5
123.04436	44.1
123.11698	1.3
125.06020	1.5
127.03939	3.4
128.06242	1.5
129.05461	1.1
129.07065	1.5
130.04201	4.9
131.04932	18.3
131.08578	2.8
133.02859	9.4
133.06503	20.2
133.10149	2.8
135.04399	9.1
135.08086	2.0
135.11742	1.4
136.05209	4.3
137.05988	100.0
138.03130	5.1
138.06349	2.4
141.07021	2.8
143.04897	1.2
145.06505	1.5
145.10158	1.8
146.03642	2.1
147.04416	19.4
147.11754	1.5
149.02353	18.7
149.05997	18.2
149.13312	2.0
150.06755	4.1
151.03954	3.6
151.07573	6.9
152.06223	1.4
153.05481	81.6
153.06923	4.9
155.04825	1.1
155.08574	4.2
159.04405	1.1
159.11696	1.3
160.05231	2.3
161.04607	2.3
161.05994	47.8
161.13205	1.6
162.06773	16.7
163.03914	4.5
163.07558	10.4
164.04703	23.1
164.06013	2.0
165.05499	12.4
165.07001	4.7
165.09109	1.6
167.07085	3.1
167.08598	2.6
168.05669	1.4
169.06555	5.1
171.08025	1.4
173.06046	2.3
175.07542	5.4
177.05481	7.6
179.07039	6.7
179.08531	2.1
181.06480	4.6
182.07285	2.0
183.08073	8.2
185.05992	1.7
187.07585	2.0
188.08458	1.6
189.09225	1.6
191.07100	1.0
193.06567	2.2
194.85529	1.1
195.08112	3.4
197.05960	5.2
197.09619	2.1
198.06744	1.3
199.07552	3.0
203.06944	1.4
205.06483	1.9
207.08165	1.8
210.06789	4.0
211.07521	9.8
213.05525	2.4
213.09161	2.7
213.80299	1.1
221.05966	3.4
222.06682	1.7
223.07600	3.6
224.08319	1.6
225.05519	2.8
225.09068	7.1
227.07045	1.6
228.07770	2.0
234.06610	1.1
235.07552	2.1
237.05417	2.1
237.09074	2.4
238.06245	2.5
239.07008	11.6
239.10695	1.9
241.08624	1.1
243.10176	2.4
249.05479	2.8
250.06503	1.3
251.07074	3.8
251.44713	1.1
252.07828	1.9
253.08607	10.5
255.10399	1.5
256.07190	2.8
259.20700	2.4
260.21210	1.5
265.08600	3.6
266.05716	1.5
267.06552	13.3
267.10150	3.3
268.07278	2.1
269.08054	2.4
269.17484	3.7
270.08691	1.9
270.17801	1.6
271.09653	9.9
277.08551	2.1
279.10464	1.2
281.08096	5.2
283.09689	17.9
284.06827	2.9
285.08075	2.2
285.11209	63.9
286.11673	2.4
295.09653	4.6
297.11243	12.1
299.09161	54.9
300.09525	1.4
301.10681	12.4
309.11224	3.7
311.09201	1.4
311.12894	1.6
313.10767	5.2
325.10715	5.5
339.12579	2.0
350.24191	1.7
351.25412	1.9
352.25491	1.9
417.13168	3.0
421.17068	7.9
443.14502	1.8
449.09857	2.1
449.15994	38.6
450.16241	1.2
461.16028	11.2
479.17032	72.2
480.17194	3.1
709.21106	1.3
727.34161	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
53.03947	1.5
53.66558	0.1
55.01885	0.4
57.03429	0.2
61.02918	0.2
61.33540	0.1
62.01599	0.1
63.02374	0.3
67.74942	0.2
69.03435	1.4
70.06580	0.2
71.04998	0.7
71.20326	0.2
71.20692	0.2
73.02919	0.5
74.22462	0.1
79.05499	1.0
81.03415	2.2
83.04994	0.3
84.08145	0.2
85.02905	1.9
89.03921	7.5
95.04986	0.3
97.02893	1.8
98.47899	0.1
99.04460	2.8
99.89016	0.1
103.03951	0.6
107.04962	2.1
109.02879	6.1
115.20806	0.1
117.03384	8.8
118.03703	0.2
125.02368	0.2
127.03921	100.0
128.04265	1.2
135.04420	17.2
136.04726	0.4
140.47319	0.1
145.02852	11.7
145.04958	1.2
146.03328	0.2
151.02383	0.2
157.76909	0.1
163.03908	95.1
164.04237	1.5
169.04912	0.2
175.02386	0.2
181.04922	0.3
186.05562	0.2
187.06036	1.3
205.07094	0.3
213.04005	0.2
217.04994	0.3
225.05496	0.2
231.05031	0.4
243.06461	0.2
247.05940	0.3
253.04979	0.4
259.04459	1.0
271.05643	0.8
271.08249	0.5
287.05389	0.5
289.06845	0.4
295.01410	0.2
295.04492	3.0
307.08148	0.3
326.19638	0.2
403.08884	0.2
583.13489	0.2
601.13617	0.3
694.32196	0.2
695.32227	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.9
53.03945	1.8
55.01873	3.3
55.02128	0.9
55.05512	2.9
57.03439	2.0
61.02914	1.7
65.03935	1.9
67.05515	5.9
68.99792	15.5
69.03419	2.9
69.07078	3.7
69.70377	5.9
70.06590	1.2
70.09583	0.9
71.08632	1.4
72.08131	1.3
79.05500	10.9
81.03416	3.7
81.07047	5.8
82.41827	0.9
83.04989	1.3
83.08617	1.9
84.22825	0.9
85.02921	4.5
87.00838	0.9
91.05491	11.8
93.07046	4.3
93.60484	0.9
94.04198	2.2
95.04980	8.4
95.08624	2.3
97.02893	3.2
97.10174	1.4
101.02474	0.9
101.84319	0.8
103.05466	10.8
105.03385	2.3
105.07041	13.0
107.04964	6.6
107.08601	1.9
108.05715	1.3
109.02890	1.4
109.06541	3.2
109.10177	1.7
115.05498	2.5
117.07016	1.0
118.04182	1.2
119.04940	10.9
119.08595	2.5
121.06497	2.8
121.10185	1.5
122.03652	3.2
123.04435	41.8
123.11727	1.4
124.05244	0.9
125.06015	1.4
127.03934	1.8
129.07005	1.2
130.04153	3.8
131.04941	21.1
131.08578	1.6
133.02859	9.7
133.06506	16.0
133.10153	1.9
135.04430	9.5
135.08087	0.9
135.11667	1.3
136.05193	5.0
137.05983	100.0
138.03148	6.2
139.07513	1.0
141.07045	2.4
143.04971	1.1
145.06517	1.8
146.03633	2.9
147.04422	21.8
149.02347	19.2
149.05995	14.7
149.09636	1.2
150.06764	3.6
151.03932	3.8
151.07523	7.0
151.11118	1.1
152.06155	1.5
153.05475	89.7
153.06894	4.5
154.05791	1.3
155.08562	3.0
157.06529	1.4
159.04401	1.1
160.05241	2.8
161.05989	49.5
162.06781	14.8
163.03926	4.3
163.07545	10.4
164.04695	22.6
165.05495	18.7
165.07001	5.4
165.09183	1.2
167.07077	2.6
167.08524	2.3
168.05663	1.2
169.06464	3.5
171.04442	1.2
173.05942	1.9
174.06792	1.4
175.07573	5.6
177.05495	9.9
178.06346	1.3
178.07858	1.3
179.07043	5.1
179.08456	1.7
181.06552	5.5
182.07262	2.7
183.08057	8.1
185.05968	2.1
191.07059	1.7
193.06503	2.3
194.07318	1.8
195.08070	3.2
197.05975	5.2
197.09599	1.9
198.06725	1.3
199.07590	2.5
201.05508	1.9
201.09184	1.8
207.08235	1.7
208.08575	1.2
210.06746	4.6
211.07538	11.6
213.05470	2.1
213.09163	1.6
215.10713	1.3
221.05989	5.3
222.06726	1.3
223.07578	3.3
224.08243	1.3
225.05515	2.6
225.09120	5.8
227.07069	1.3
234.06656	1.0
235.07628	2.7
236.08347	1.1
237.09187	1.9
238.06261	3.9
239.07014	10.6
241.05092	1.2
241.08765	1.1
243.10175	1.7
249.05316	1.3
249.09081	1.2
251.07068	3.1
252.07999	2.2
253.04941	1.1
253.08640	10.1
255.06636	1.2
255.09982	1.4
256.07278	3.1
259.09683	1.2
263.07074	1.7
265.08691	4.5
266.05899	1.3
267.06564	13.5
267.10126	2.7
268.07352	1.6
269.08154	2.0
270.08795	1.6
271.09619	7.7
277.08392	1.1
279.10248	1.2
280.07285	1.3
281.08130	5.9
283.06558	2.0
283.09631	16.0
284.06790	3.5
285.11230	56.5
285.16656	2.4
286.11636	1.8
286.17294	1.3
293.08087	2.0
293.21152	8.9
294.21356	5.9
295.09610	9.9
297.07800	1.7
297.11176	18.4
299.09164	55.2
301.10684	13.3
309.11191	3.8
311.09088	1.4
313.10754	6.2
325.10739	7.1
327.12143	1.3
339.12088	1.5
352.07782	1.0
366.51736	1.0
367.24805	10.5
368.25192	9.7
417.13333	2.5
421.12329	3.6
421.17551	5.2
424.16144	1.3
443.14761	1.3
449.15970	36.5
461.16006	16.1
479.17010	66.0
480.17517	2.7
574.18182	11.2
609.56824	1.1
727.33728	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.2
53.03939	1.3
53.65285	0.2
55.01870	0.3
55.05499	0.2
57.03440	0.3
61.02936	0.2
61.91227	0.2
63.02385	0.6
69.03427	1.3
69.42207	1.3
70.06594	0.6
71.05003	0.5
72.08171	0.3
73.02931	0.8
76.42979	0.2
79.05497	1.2
81.03420	2.3
82.86000	0.2
83.05006	0.3
84.04456	0.1
84.08150	0.5
85.02908	2.1
87.04470	0.2
89.03920	7.5
91.05479	0.2
95.04995	0.4
97.02900	2.3
97.06499	0.2
99.04462	2.7
103.03961	0.5
105.01865	0.3
107.04959	1.9
109.02888	6.0
115.03897	0.2
117.03387	8.1
121.73863	0.1
127.03925	100.0
128.04263	0.8
135.04425	17.8
136.04794	0.4
137.05907	0.2
145.02852	11.7
145.04803	1.1
147.04417	0.5
151.02377	0.2
163.03914	95.1
164.04225	1.4
175.02466	0.2
177.05544	0.2
181.04953	0.4
187.06036	1.2
205.05208	0.2
205.07103	0.5
225.64395	0.2
226.35078	0.2
231.05045	0.3
241.03369	0.2
243.06543	0.2
247.05966	0.2
253.04921	0.3
253.07236	0.2
259.04456	1.1
271.05670	0.9
271.08206	0.5
289.06738	0.3
295.04474	2.5
302.04114	0.2
307.08038	0.5
317.06558	0.6
407.71152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.05511	18.4
57.03444	14.7
57.07070	6.8
59.91457	2.2
61.02925	4.0
64.19043	2.1
65.03944	2.8
67.05506	78.2
69.07071	25.1
71.04989	6.8
71.08625	5.3
71.56670	2.8
72.96461	1.8
75.25346	2.1
79.05492	52.8
81.03432	2.8
81.07057	84.5
81.84229	2.1
83.04964	7.2
83.08614	11.9
85.02908	2.9
85.06573	5.6
87.04429	2.6
89.06030	3.3
90.65136	2.1
91.05481	25.5
93.06470	4.5
93.07044	71.7
95.04967	5.4
95.08611	42.6
97.06530	11.3
97.10156	2.7
99.08106	5.2
105.07050	13.8
105.07677	2.3
107.08588	39.7
109.10155	17.2
111.08090	8.2
117.07005	11.5
119.08587	10.7
121.10147	30.8
123.11716	6.9
131.08557	12.2
133.10124	8.8
135.11736	15.0
141.19498	2.4
145.10138	5.5
147.11745	3.3
149.13246	30.9
159.11682	13.9
163.14804	3.3
170.63826	2.2
173.13312	2.5
175.14742	2.3
177.07402	2.3
177.12787	7.2
187.14799	2.6
195.13780	10.5
261.22192	9.1
267.15799	2.6
269.17487	87.1
279.99994	2.4
284.96185	2.1
335.25784	65.0
423.96033	2.2
455.34738	2.9
529.38892	100.0
530.39240	5.2
622.27136	2.5
628.45209	2.4
726.43243	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	726.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.6
53.03939	5.7
55.01877	9.9
55.05516	22.7
57.03440	21.5
57.07077	3.8
61.02935	13.9
63.30274	1.5
65.03930	3.4
67.05509	68.1
69.03440	14.4
69.06725	2.4
69.07072	32.5
69.81767	7.1
70.06583	5.7
71.04987	6.4
71.15102	1.3
72.08147	1.8
73.02901	6.7
73.06535	1.6
79.05498	46.1
80.05863	1.4
81.03060	1.6
81.03426	19.6
81.07064	87.1
83.04987	13.5
83.08622	16.4
85.02912	24.4
85.06519	6.6
89.03968	1.7
91.03967	12.1
91.04417	1.9
91.05486	40.6
93.07053	63.4
95.04977	12.0
95.08610	34.0
97.02882	14.5
97.06538	19.5
97.10181	8.0
98.21481	2.6
99.04449	4.6
99.08081	5.4
99.70795	1.6
103.03938	3.3
103.05477	2.1
104.79861	1.6
105.03390	1.7
105.06394	2.5
105.07043	36.5
107.04971	10.8
107.08604	37.7
109.02862	4.6
109.06502	7.3
109.10157	20.2
110.10519	1.5
111.04435	2.8
111.08089	7.4
117.07039	17.5
119.04942	1.9
119.08594	26.5
121.06534	8.0
121.10163	18.9
123.04417	2.3
123.08047	3.9
123.11691	6.4
125.06059	2.0
125.09628	9.3
127.03936	12.9
129.05524	2.1
129.07011	5.4
130.05840	1.8
130.07852	2.1
131.08572	24.9
133.06532	2.8
133.10136	27.8
135.04372	2.7
135.08044	7.2
135.11707	23.1
137.05952	2.9
137.07047	1.6
137.09639	3.7
139.11157	2.1
141.07016	3.0
143.08560	4.3
145.04945	6.0
145.06422	2.1
145.10130	19.4
147.04366	2.8
147.08043	2.1
147.11693	14.1
149.09621	11.5
149.13268	16.5
151.11183	2.8
153.05450	2.3
155.08566	3.3
155.10695	1.9
157.10112	6.2
159.11684	23.1
161.09642	2.2
161.13258	6.2
163.03906	4.6
163.06075	2.6
163.11205	10.3
165.09053	4.3
167.07025	4.6
171.11748	2.0
173.04419	4.2
173.11853	3.4
173.13165	8.7
175.11166	3.4
177.12755	21.1
179.14268	7.9
180.10248	2.2
180.54745	1.7
181.12257	3.8
183.11662	3.5
187.11218	2.2
189.11177	3.7
195.13881	7.9
199.14972	1.8
201.09129	2.0
227.12839	3.6
229.14418	9.5
229.19463	2.6
235.16997	1.9
239.17924	3.5
245.13727	2.1
247.20607	3.3
251.16379	6.0
255.15913	42.1
257.19052	9.1
267.15933	2.4
269.17487	100.0
275.20111	29.8
275.73111	1.6
283.15622	1.7
283.19147	2.2
285.16904	2.2
349.23770	69.2
367.24878	28.4
391.24768	1.6
413.21570	4.4
461.32489	2.5
493.28226	3.7
502.52197	1.6
511.28912	8.3
726.43085	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	726.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.6
53.03939	5.7
55.01877	9.9
55.05516	22.7
57.03440	21.5
57.07077	3.8
61.02935	13.9
63.30274	1.5
65.03930	3.4
67.05509	68.1
69.03440	14.4
69.06725	2.4
69.07072	32.5
69.81767	7.1
70.06583	5.7
71.04987	6.4
71.15102	1.3
72.08147	1.8
73.02901	6.7
73.06535	1.6
79.05498	46.1
80.05863	1.4
81.03060	1.6
81.03426	19.6
81.07064	87.1
83.04987	13.5
83.08622	16.4
85.02912	24.4
85.06519	6.6
89.03968	1.7
91.03967	12.1
91.04417	1.9
91.05486	40.6
93.07053	63.4
95.04977	12.0
95.08610	34.0
97.02882	14.5
97.06538	19.5
97.10181	8.0
98.21481	2.6
99.04449	4.6
99.08081	5.4
99.70795	1.6
103.03938	3.3
103.05477	2.1
104.79861	1.6
105.03390	1.7
105.06394	2.5
105.07043	36.5
107.04971	10.8
107.08604	37.7
109.02862	4.6
109.06502	7.3
109.10157	20.2
110.10519	1.5
111.04435	2.8
111.08089	7.4
117.07039	17.5
119.04942	1.9
119.08594	26.5
121.06534	8.0
121.10163	18.9
123.04417	2.3
123.08047	3.9
123.11691	6.4
125.06059	2.0
125.09628	9.3
127.03936	12.9
129.05524	2.1
129.07011	5.4
130.05840	1.8
130.07852	2.1
131.08572	24.9
133.06532	2.8
133.10136	27.8
135.04372	2.7
135.08044	7.2
135.11707	23.1
137.05952	2.9
137.07047	1.6
137.09639	3.7
139.11157	2.1
141.07016	3.0
143.08560	4.3
145.04945	6.0
145.06422	2.1
145.10130	19.4
147.04366	2.8
147.08043	2.1
147.11693	14.1
149.09621	11.5
149.13268	16.5
151.11183	2.8
153.05450	2.3
155.08566	3.3
155.10695	1.9
157.10112	6.2
159.11684	23.1
161.09642	2.2
161.13258	6.2
163.03906	4.6
163.06075	2.6
163.11205	10.3
165.09053	4.3
167.07025	4.6
171.11748	2.0
173.04419	4.2
173.11853	3.4
173.13165	8.7
175.11166	3.4
177.12755	21.1
179.14268	7.9
180.10248	2.2
180.54745	1.7
181.12257	3.8
183.11662	3.5
187.11218	2.2
189.11177	3.7
195.13881	7.9
199.14972	1.8
201.09129	2.0
227.12839	3.6
229.14418	9.5
229.19463	2.6
235.16997	1.9
239.17924	3.5
245.13727	2.1
247.20607	3.3
251.16379	6.0
255.15913	42.1
257.19052	9.1
267.15933	2.4
269.17487	100.0
275.20111	29.8
275.73111	1.6
283.15622	1.7
283.19147	2.2
285.16904	2.2
349.23770	69.2
367.24878	28.4
391.24768	1.6
413.21570	4.4
461.32489	2.5
493.28226	3.7
502.52197	1.6
511.28912	8.3
726.43085	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	725.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21145	0.2
55.01821	1.1
55.05457	4.1
57.03385	1.0
57.07013	0.7
57.07269	0.2
59.04945	1.1
61.02869	0.7
61.90127	0.2
67.05502	3.5
68.99745	0.4
69.03432	5.8
69.03769	0.3
69.07069	15.6
69.07406	0.9
70.06551	0.3
70.26528	0.5
70.26884	0.5
71.04938	0.7
73.02854	0.9
79.05492	2.3
81.03419	5.9
81.07054	5.1
81.72761	0.2
82.07338	0.4
82.35238	0.2
83.01284	0.8
83.04918	0.9
83.08622	1.8
85.02905	7.0
85.06510	0.7
87.00826	3.0
87.04433	0.3
91.03885	0.4
91.05479	1.5
93.07040	3.2
95.01326	0.5
95.04906	1.1
95.08608	4.2
97.02889	3.5
97.06531	1.6
97.10123	0.5
99.00809	2.7
99.04456	3.5
105.01795	1.1
105.07026	1.2
107.04910	0.6
107.08590	2.5
109.02881	4.1
109.06491	0.5
109.10147	2.8
111.04430	0.3
111.08076	0.5
111.11710	1.5
113.02290	0.8
117.01786	0.9
117.06981	0.5
119.08514	1.1
121.10138	1.9
123.04387	0.4
123.11721	1.5
125.05920	0.3
125.09576	0.3
127.03917	5.6
129.01785	0.8
129.06915	0.4
131.08499	0.7
133.06447	0.3
133.10124	0.4
135.04358	0.5
135.08012	0.7
135.11702	1.6
137.05913	1.0
137.13190	0.5
139.07513	0.5
139.11153	0.6
145.05009	1.3
145.10054	0.8
147.02837	0.2
147.11618	0.5
149.05930	0.5
149.13171	0.9
151.07521	1.2
153.05528	1.2
155.06949	0.8
157.10063	0.4
159.02924	1.4
159.11673	0.6
161.05867	0.6
163.03836	0.9
163.07509	0.9
165.09056	1.1
167.14276	0.8
171.08022	0.3
175.07497	1.0
175.11154	0.3
177.05374	1.0
177.09065	0.8
179.06918	0.4
179.10559	0.8
181.03424	0.3
181.04964	6.0
182.03409	0.3
183.06525	1.5
189.09114	1.4
191.06946	0.9
191.10660	0.6
193.12215	0.9
195.06534	13.2
196.06856	0.4
203.10612	0.6
205.08549	0.3
205.12131	0.4
207.06448	0.7
207.13829	0.3
209.08093	7.0
210.08325	0.3
219.10197	0.5
221.08089	0.7
223.09647	8.3
229.14262	0.5
231.04921	0.3
235.09746	1.4
237.11223	6.6
249.11232	1.6
251.12773	3.7
263.12793	0.6
265.14310	0.9
269.17419	0.6
277.14392	0.3
277.21555	0.5
277.97119	0.3
279.15900	0.4
289.14352	0.3
291.19351	0.3
293.17471	3.1
295.21045	0.3
305.17511	1.1
307.19058	0.4
319.19064	0.9
321.20621	2.5
329.17386	0.4
331.18967	0.3
349.23715	0.4
365.23108	0.5
366.23428	0.7
415.32208	0.7
423.28656	0.3
441.29971	0.5
459.31064	7.1
459.37564	0.4
477.32120	100.0
478.32520	4.3
639.37225	1.5
681.38470	0.3
707.36163	0.3
725.37360	10.6
726.38025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28317	0.1
53.03945	0.9
55.01869	0.4
55.05521	1.2
57.03425	0.4
57.07062	0.2
65.03936	0.6
67.05510	5.0
68.99789	0.6
69.03433	2.2
69.07085	1.1
70.29124	0.5
71.04990	0.5
78.41916	0.1
79.05499	3.9
81.03423	4.7
81.07062	4.7
83.04978	0.4
83.08614	0.6
85.02912	1.2
91.05489	3.0
93.03428	0.2
93.07051	4.3
95.04976	0.8
95.08614	3.4
97.02896	2.2
97.06522	0.3
97.10169	0.3
99.04448	0.5
105.04481	0.2
105.07034	2.5
107.04930	0.1
107.08610	2.2
109.02892	1.4
109.06554	0.2
109.10148	1.3
111.00822	0.7
111.04424	0.3
111.08110	0.2
117.07024	1.2
119.08587	1.7
121.02884	0.9
121.06467	0.2
121.10142	1.5
123.04440	0.4
123.11713	0.6
125.09605	0.2
127.03918	0.8
129.05525	0.2
129.06995	0.6
131.08586	1.3
133.06471	0.1
133.10165	1.3
135.11682	1.5
137.02348	2.9
137.03395	0.2
143.08575	0.6
144.07791	0.1
145.04984	0.2
145.06445	0.2
145.10118	1.0
147.04358	0.2
147.07977	0.2
147.11699	0.6
149.02354	0.5
149.13289	0.6
153.01852	3.3
155.08511	0.3
157.06526	0.2
157.10136	0.3
159.04460	0.2
159.11697	0.8
161.06027	0.3
161.13249	0.6
163.03885	0.6
163.14816	0.2
165.01836	2.0
166.02534	0.2
169.10114	0.2
171.11732	0.4
173.06020	0.5
173.13257	0.5
175.11182	0.2
175.14816	0.1
179.03352	0.2
183.02901	0.9
183.04347	0.3
183.11723	0.3
185.13185	0.3
187.03931	0.3
187.11183	0.2
187.14804	0.3
191.79178	0.1
195.02946	0.3
195.11703	0.2
199.14839	0.3
201.05510	1.8
205.05025	0.2
207.02815	0.1
219.06590	0.5
228.04240	0.2
229.04974	4.4
230.05289	0.2
243.21144	0.3
247.06001	0.7
257.04459	3.1
259.20477	0.2
261.22067	1.1
274.04819	0.8
275.05389	0.2
285.03946	1.2
301.21628	0.2
303.05005	100.0
304.05338	2.2
345.06039	0.5
369.24380	0.3
380.01669	0.2
387.25394	0.3
405.26398	0.4
549.51672	0.1
698.24774	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	725.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01870	0.6
55.05262	0.2
55.05517	2.0
57.03416	0.9
65.03921	0.7
67.05502	6.5
68.05821	0.3
68.99799	0.5
69.03439	1.5
69.07069	1.4
70.15842	0.4
70.16226	0.4
71.04994	0.5
72.08125	0.3
78.31966	0.2
79.05492	4.8
81.03409	1.4
81.07059	6.4
83.08605	0.8
85.02894	1.3
85.06542	0.5
91.05491	3.6
93.03460	0.3
93.07051	6.1
95.05010	1.2
95.08608	4.4
97.02881	1.0
97.06532	0.5
97.10176	0.6
99.08086	0.3
105.07030	2.7
107.08598	3.0
109.02895	0.4
109.10155	2.5
111.00800	0.7
111.04430	0.5
111.08094	0.3
117.07008	1.2
119.08572	2.0
121.02895	1.2
121.06490	0.3
121.10152	3.0
123.04407	0.3
123.11715	0.8
126.54604	0.2
127.03952	0.8
129.07008	0.6
131.08556	1.9
132.02304	0.3
133.10150	1.4
135.11674	2.0
137.02356	3.1
137.03325	0.5
143.08560	0.6
145.10152	1.4
147.11690	1.1
149.13249	0.9
153.01840	3.9
153.12854	0.3
159.11694	1.2
161.06030	0.5
161.13252	0.9
163.03912	1.0
163.11121	0.4
165.01854	2.4
171.11678	0.4
173.06030	0.4
173.13243	0.8
183.02890	0.7
183.04422	0.4
185.13284	0.3
187.03906	0.3
187.14835	0.8
191.03293	0.3
201.05481	2.1
209.11758	0.3
215.86086	0.3
227.84019	0.2
229.04945	5.4
243.21175	0.4
244.49129	0.3
247.06012	0.7
257.04483	3.1
261.22156	1.8
267.15973	0.4
274.04648	0.8
283.15479	0.3
285.04013	1.5
303.04996	100.0
304.05362	2.3
315.05066	0.3
321.10663	0.2
369.24332	0.4
545.38220	0.4
738.55524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.0
55.01857	2.6
55.05513	16.9
57.03442	17.3
59.04998	1.9
61.02919	4.9
65.03918	3.8
67.05508	59.7
69.03413	4.5
69.07072	12.3
70.06564	1.5
71.04975	4.2
71.56613	2.7
79.05495	46.5
81.03422	89.8
81.07060	60.5
83.04981	4.6
83.08628	22.0
85.02894	4.7
87.04451	1.8
91.05480	39.5
93.07049	41.4
95.04971	34.4
95.08617	39.1
97.02885	6.2
97.06523	5.6
97.10148	7.6
105.07041	24.7
107.04931	6.9
107.08602	25.1
109.06510	6.3
109.10168	15.3
111.08064	7.1
115.05453	2.3
116.07101	2.9
117.07011	7.9
119.08594	24.7
120.49748	1.6
121.06505	4.7
121.10146	23.5
123.04439	1.9
123.08073	3.5
123.11718	6.5
125.09637	4.1
129.07024	9.6
131.08591	18.3
133.10141	14.7
135.11699	12.5
137.09595	2.4
142.07744	2.5
143.08517	2.0
145.10123	11.3
147.08037	4.1
147.11700	11.5
149.09621	4.7
149.13214	6.6
150.04796	1.6
151.11203	2.1
157.10107	8.7
159.11682	8.3
161.13245	4.6
163.14804	3.0
173.13257	5.4
175.11186	8.2
177.12750	2.2
187.14819	2.7
189.11157	3.3
193.12239	22.3
226.20148	1.8
227.12738	5.4
235.13255	2.5
243.21016	5.1
249.14812	4.7
259.13275	2.0
261.22198	15.6
267.15924	100.0
268.16171	2.9
273.14764	2.2
301.14313	2.4
301.25262	3.6
309.16849	3.9
317.24564	5.3
335.25827	91.4
336.26147	2.1
382.64752	2.6
435.32571	4.4
453.33423	6.9
471.34686	3.0
527.37311	45.7
545.38293	21.5
569.38287	4.5
595.46796	5.3
612.45148	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10521	0.8
53.03942	2.1
54.08101	0.7
55.01881	5.1
55.05516	15.1
57.03441	5.9
59.04994	1.1
60.24241	0.7
61.02932	6.9
65.03948	1.2
67.05173	1.6
67.05510	22.0
69.03439	6.2
69.06731	1.0
69.07079	15.7
70.06577	2.0
71.03081	1.6
71.04994	2.9
72.08151	2.3
73.02917	2.1
77.03897	1.0
79.05502	16.4
79.98087	0.8
81.03417	12.3
81.07063	22.7
83.04990	8.3
83.08626	9.0
84.08114	0.8
85.02910	8.2
85.06543	2.1
91.03961	3.8
91.05482	14.6
93.07048	14.7
95.04977	8.3
95.08610	11.2
97.02898	11.2
97.06532	2.9
97.10184	9.9
98.20815	0.9
99.04492	1.3
103.05464	1.1
105.07040	12.6
107.04964	5.4
107.08601	9.7
109.02847	1.3
109.06521	3.2
109.10165	14.1
111.08105	2.3
117.07049	5.0
119.04985	1.4
119.08584	11.9
121.06514	3.7
121.10158	8.4
121.16509	0.8
123.08064	3.3
123.11714	2.8
125.05954	1.0
125.09644	9.1
127.03917	3.0
127.07550	0.8
127.98615	0.9
129.05499	1.2
129.07004	3.3
131.08556	7.3
133.06506	2.3
133.10152	8.0
135.08037	3.3
135.11684	3.3
137.09602	2.2
137.13271	1.0
143.08559	3.7
145.04933	1.6
145.10168	4.9
147.04364	1.3
147.08051	5.3
147.11682	6.9
149.09651	2.7
149.13216	1.9
151.11162	1.0
153.05429	1.5
155.08624	0.8
157.10124	2.8
159.11705	2.7
161.09576	2.4
161.13240	1.1
163.06110	1.3
163.11209	3.0
165.09158	3.2
165.12810	2.2
171.11667	1.0
173.09566	1.9
173.11766	2.1
173.13173	1.0
175.11185	3.1
177.05415	1.1
189.11243	3.5
189.12785	1.1
191.10590	0.9
193.12265	6.0
205.12184	1.7
211.13327	3.1
223.13293	10.9
227.12683	4.2
229.14246	4.6
245.13905	2.9
249.14885	1.8
255.17514	1.0
263.20132	1.0
267.15936	9.2
271.15356	1.3
273.18497	10.6
285.16968	15.1
288.00964	0.9
291.19559	76.0
292.19821	1.2
301.16409	1.2
347.22150	3.6
353.14102	0.9
365.23242	100.0
366.23535	3.8
383.24203	1.1
440.36404	0.9
458.37427	1.4
477.28412	5.3
495.29587	1.1
509.27600	1.4
527.28790	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	723.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92916	0.8
53.03943	1.4
55.05515	3.2
57.03439	2.8
61.02932	4.2
65.03948	0.9
67.05510	11.3
69.03439	4.3
69.07072	2.5
69.41871	6.9
70.06612	1.0
71.05002	1.0
72.08161	1.8
73.02915	2.7
79.05486	4.6
81.03435	2.5
81.07066	8.6
83.04997	1.1
83.08641	1.8
85.02921	3.7
91.03973	2.8
91.05484	5.9
91.72144	0.8
93.07065	5.8
94.07377	0.9
95.04978	2.0
95.08617	3.4
97.02918	4.9
98.21485	1.2
99.04513	1.4
101.02400	1.6
105.07057	2.1
107.04938	1.5
107.08619	3.0
109.02896	1.0
109.10168	9.0
117.07066	0.8
119.08609	3.1
121.10165	2.1
122.78758	0.7
125.09689	1.0
126.09140	1.1
127.03978	1.8
131.08601	2.1
133.10164	1.9
135.11714	1.0
144.65839	0.8
145.10150	1.9
149.09679	1.1
155.10774	1.0
159.11745	1.4
173.11882	1.9
173.13345	1.1
177.12872	1.1
183.14206	0.8
203.71487	0.9
219.14098	0.8
229.14458	1.1
243.08556	3.1
275.20139	1.0
303.05011	7.6
333.20502	1.8
413.17828	9.1
491.78973	0.9
543.36725	1.8
551.28412	3.6
650.70197	1.0
723.39282	100.0
724.39673	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	724.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45372	0.6
53.03939	1.8
55.01873	3.2
55.05518	12.1
57.03442	4.8
59.04988	0.8
59.79782	0.6
61.02935	4.6
65.03931	1.2
65.50720	0.6
67.05176	1.1
67.05508	18.6
69.03436	5.4
69.06727	1.0
69.07075	14.9
70.06580	1.1
70.31397	1.7
71.01366	0.8
71.04986	1.4
72.08154	1.1
73.02914	1.8
79.05066	1.0
79.05497	15.6
80.81071	0.6
81.03423	8.4
81.07063	15.7
83.04999	4.2
83.08630	7.1
85.02909	6.8
85.06537	1.1
89.26934	0.6
90.15826	0.6
91.03947	2.6
91.05486	12.5
93.07055	12.2
95.04971	6.8
95.08608	7.6
97.02894	9.5
97.06535	2.7
97.10175	7.8
98.38718	0.6
99.04442	0.8
105.07032	10.6
107.04965	4.5
107.08601	11.6
108.08910	1.0
109.02877	1.4
109.06506	2.4
109.10169	10.6
111.08076	2.4
117.07054	4.0
119.04952	0.8
119.08590	7.9
120.01234	0.7
121.06498	2.1
121.10132	4.0
123.04468	1.0
123.08076	2.5
123.11707	1.4
125.09633	6.5
127.03931	2.3
129.07037	2.1
131.08571	4.8
133.06514	2.1
133.10149	7.8
135.08078	3.0
135.11687	1.9
137.09612	1.6
143.08588	2.0
145.04936	0.9
145.10120	3.9
147.08069	3.6
147.11699	3.0
149.09659	2.1
149.13278	1.4
151.11163	2.4
153.09090	0.7
153.12766	0.9
157.10152	2.5
159.08107	0.7
159.11707	2.3
161.09622	2.5
163.05937	0.9
163.11194	2.5
165.09111	1.5
169.12263	0.7
171.10211	0.7
171.11667	1.5
173.11768	1.0
175.11179	2.1
189.11307	3.0
192.78123	0.8
193.12190	4.6
205.12245	0.8
209.11752	0.9
211.13283	1.7
223.13268	12.2
227.12807	3.7
229.14391	1.8
245.19020	0.9
249.14908	1.7
253.14352	4.5
255.17401	0.9
263.20120	1.1
267.15927	2.4
271.15448	1.5
273.18497	7.5
283.15466	1.1
285.16995	8.1
291.19553	53.7
292.19775	1.4
347.22159	3.7
365.23245	100.0
366.23590	2.9
429.21289	1.5
477.28052	0.9
509.27316	2.0
527.28363	4.3
585.67853	0.7
610.63995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.6
55.05518	18.3
57.03435	10.2
59.06129	4.2
65.03947	2.9
67.05511	66.5
69.07079	11.1
69.91077	14.5
79.05497	60.9
81.03440	3.3
81.07057	61.4
83.04990	16.1
83.08630	7.3
85.06529	3.5
91.05491	43.9
93.07050	68.9
95.04978	14.4
95.08611	35.3
95.18002	3.0
97.02917	3.1
97.06538	5.0
105.07040	33.1
107.08595	22.6
107.29077	2.8
109.06554	4.9
109.10165	13.0
117.07060	11.4
119.08585	21.4
121.06512	5.3
121.10154	13.6
123.08035	5.3
129.07004	9.6
131.08580	9.2
133.10147	10.0
135.11717	10.6
143.08571	9.1
145.10135	8.7
147.11691	28.4
159.11676	4.9
161.13298	8.8
171.11775	17.5
189.12735	6.4
207.13846	16.7
225.14792	4.6
243.20985	4.5
261.22159	8.2
271.63248	2.9
281.17484	65.0
335.25806	32.7
360.17914	2.8
366.58417	2.9
456.99561	3.9
541.38965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.3
55.01875	23.6
55.05515	18.6
57.03440	7.7
57.07072	7.6
59.05007	13.1
61.02923	6.2
67.05507	33.2
68.99765	2.9
69.03075	3.1
69.03435	48.1
69.07078	33.5
69.27925	3.2
69.28337	16.0
70.06583	4.1
71.04996	7.8
72.08129	2.2
73.02916	3.0
76.02367	1.8
79.05499	33.1
81.03418	39.8
81.06580	3.3
81.07061	66.4
83.04980	8.5
83.08610	15.5
84.08141	2.2
85.02911	76.0
85.06544	8.7
86.09724	2.0
87.00834	28.3
87.04471	3.0
91.03976	2.9
91.05482	26.9
93.07055	46.6
95.04982	10.9
95.08614	56.6
97.02904	29.8
97.06532	15.9
97.10170	4.7
98.17267	1.7
98.20760	2.9
99.04461	15.2
99.08115	3.7
101.06044	2.1
105.01882	16.3
105.07037	56.2
107.04946	3.9
107.08601	100.0
109.02887	26.0
109.06524	25.1
109.10162	64.0
111.08089	41.8
112.07618	4.3
115.05457	1.8
117.01877	2.7
117.07011	11.8
119.08589	99.9
121.06502	5.8
121.10147	38.3
123.08071	18.6
123.11728	18.7
125.06030	2.9
125.09641	13.2
127.03928	42.2
127.07575	2.4
129.01840	4.0
129.07036	5.6
131.08580	22.0
133.06471	2.5
133.10143	63.3
135.08070	13.8
135.11710	22.4
137.06035	2.1
137.09624	25.9
137.13275	7.8
139.07574	24.1
139.11186	9.6
140.07071	4.9
141.09189	2.7
142.07831	4.4
143.08571	14.2
144.09369	4.8
145.04996	12.9
145.10135	48.7
147.04446	2.9
147.08078	3.3
147.11700	69.0
149.09613	11.6
149.13251	12.6
151.11201	8.9
153.05487	2.8
153.12811	3.3
155.08536	2.3
155.10667	2.1
156.09340	6.7
157.08878	3.3
157.10147	23.0
158.10901	4.6
159.02867	14.7
159.11700	58.4
161.09639	5.8
161.13248	15.2
163.03929	4.2
163.11163	12.2
163.14876	4.1
165.09138	10.1
165.12770	82.5
167.07062	4.1
167.14336	2.4
169.10115	10.7
170.10925	6.1
171.11662	19.9
172.12431	3.1
173.09671	3.7
173.13249	22.0
175.11218	13.3
175.14821	24.0
177.12724	9.9
177.16377	6.1
179.14383	3.2
181.10275	2.8
181.12051	2.5
183.11713	12.8
184.12415	3.3
185.13261	20.7
186.14084	4.4
187.11266	3.7
187.14848	23.1
189.12787	5.8
189.16394	14.0
191.14374	5.0
193.12236	22.7
193.15872	10.2
195.11761	4.1
197.13310	14.8
199.14845	36.8
201.09137	2.2
201.16403	88.6
202.16795	2.7
203.14305	11.6
203.17937	4.4
205.15956	5.5
207.13564	2.1
207.17406	3.8
209.13382	4.3
211.14816	11.4
213.16327	21.3
215.14304	3.0
215.17963	7.2
217.16017	4.3
219.17506	5.8
221.13474	3.4
221.15285	11.8
223.14886	4.6
225.16344	10.8
227.17856	10.3
229.15895	4.8
229.19548	5.8
231.05011	8.2
231.17485	13.3
233.18977	3.7
235.14876	2.6
237.16370	2.5
239.17963	3.0
241.15916	2.8
241.19490	3.9
243.17392	7.8
245.19232	4.1
249.18539	28.0
251.17896	4.4
253.19630	5.1
255.21181	10.5
261.18521	3.2
265.19806	3.6
267.21066	25.3
269.18921	3.2
269.22635	4.3
271.20511	3.5
273.22232	2.8
275.20319	2.1
279.21317	3.1
281.22675	7.7
283.20996	2.1
283.24301	5.7
285.22128	23.5
295.20673	2.8
299.23734	6.5
303.23248	12.1
309.22079	6.9
315.23184	4.1
319.24240	2.6
327.23126	22.8
337.25110	2.6
345.24142	17.5
363.26797	8.3
379.29944	4.6
381.27936	10.1
393.31366	2.7
397.30939	2.6
399.28876	2.5
401.32022	8.3
407.33188	5.8
409.34897	3.7
411.32562	2.5
419.33133	48.6
427.35657	2.0
437.34201	93.0
438.34344	5.3
455.35214	39.3
473.36108	6.4
475.26892	2.0
608.58630	2.0
622.26990	2.0
685.39465	2.6
721.40222	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	721.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.6
55.01871	10.5
55.05517	18.7
57.03436	8.3
57.07079	4.4
61.02927	4.9
65.03934	4.5
67.05510	32.3
68.99785	3.4
69.03433	32.4
69.07074	24.2
70.06587	8.3
71.04990	11.6
71.55389	2.8
72.08155	4.5
73.02915	6.1
76.75745	2.4
79.05499	18.9
81.03423	21.7
81.07059	48.5
83.04991	22.5
83.08621	13.6
84.08147	43.8
85.02917	40.8
85.06547	6.2
87.00837	15.7
87.01283	2.2
87.04455	3.5
91.03970	2.9
91.05482	29.8
93.07055	46.8
95.04974	13.3
95.08613	45.6
97.02899	31.6
97.06534	12.4
97.10178	7.3
99.04465	12.3
99.08096	3.6
105.01865	11.7
105.06372	4.8
105.07034	50.7
107.04964	5.9
107.08598	64.5
109.02878	17.5
109.06511	19.7
109.10170	52.4
110.06042	3.6
111.04485	3.8
111.08084	16.4
117.07007	10.9
119.04969	5.6
119.08597	51.2
120.08118	3.1
121.06498	13.4
121.10155	50.6
123.08041	13.0
123.11723	15.6
125.09604	18.8
127.03925	24.2
127.07565	6.5
129.06989	7.4
130.07784	3.9
130.08662	2.8
131.08595	16.6
133.06519	3.7
133.10146	45.0
135.04430	2.7
135.08078	8.9
135.11699	41.8
137.05960	5.9
137.09622	14.3
137.13298	3.9
139.11235	4.5
143.08556	14.2
144.09286	2.7
145.02870	3.2
145.04955	9.6
145.10143	41.0
147.04382	8.1
147.08026	4.2
147.11711	26.8
149.02382	9.2
149.06033	3.2
149.09639	37.3
149.13239	10.4
151.07590	3.8
151.11214	8.4
153.05522	4.1
156.09383	3.9
157.10146	17.3
159.02907	6.6
159.08105	4.0
159.11699	31.2
161.09665	7.5
161.13239	16.2
163.03918	6.9
163.07536	54.6
163.11201	63.7
163.14824	11.4
165.09120	31.2
165.12822	5.7
167.03412	5.0
167.07076	3.6
167.10732	6.2
169.10077	4.6
171.11699	14.2
173.09631	3.8
173.13251	15.9
175.11192	6.2
175.14857	11.4
177.09169	3.4
177.12723	3.2
177.16370	5.1
181.12241	11.9
183.10188	4.7
183.11703	5.9
185.13297	11.6
187.11214	3.9
187.14777	19.1
189.12721	6.7
189.16423	6.0
191.10562	3.8
191.14354	8.0
191.17957	19.4
195.11710	5.2
197.13240	5.3
199.14861	12.7
201.16408	31.3
203.17990	45.5
205.12206	5.5
211.14975	6.0
213.16451	16.9
215.18034	5.4
219.13779	4.6
221.08295	2.7
223.14838	5.2
226.17004	2.5
227.17978	9.2
229.15872	8.0
229.19501	5.1
231.05084	5.2
231.17450	5.2
241.19528	3.0
245.19040	6.0
247.16959	48.3
251.18062	4.6
253.19513	4.9
255.21115	14.1
256.21857	3.3
257.22699	9.3
267.15768	3.4
267.21024	6.4
269.22632	26.8
275.20081	3.6
285.07666	4.3
287.23828	10.7
291.11316	2.6
297.22235	2.8
319.24182	5.0
329.24744	18.4
337.25269	7.5
341.13867	3.9
355.26352	100.0
356.26334	2.7
357.17123	2.9
373.27362	44.8
419.33182	65.2
420.33209	3.1
427.35373	22.7
437.34174	37.8
455.35126	11.7
492.26694	4.7
703.39178	8.0
721.39777	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	719.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.2
55.01868	7.3
55.05522	27.9
57.03435	14.9
61.02920	7.4
62.18276	4.2
64.06530	4.2
67.05507	64.7
69.07056	16.6
71.04993	5.6
73.02904	4.2
73.43866	4.2
79.05495	81.7
81.03419	18.0
81.07055	55.6
83.04966	10.1
83.08611	13.8
85.02905	9.3
85.06544	7.1
85.79668	4.0
91.05482	100.0
93.07043	79.0
93.91583	4.0
94.03165	4.2
95.04982	18.5
95.08607	42.0
95.52510	3.9
97.02892	9.7
97.06523	7.0
104.52961	3.8
105.07043	74.1
107.04938	6.4
107.08614	33.3
109.06506	8.5
109.10156	16.4
111.08080	4.8
115.05457	7.2
117.06998	28.8
119.08578	54.3
121.06563	4.8
121.10178	20.0
122.46273	4.4
123.08118	5.2
128.06233	6.0
129.04051	4.0
129.07019	24.2
131.08574	33.4
133.10135	32.5
135.11690	15.3
141.06976	6.4
143.08575	18.7
145.10139	36.4
147.11694	42.8
149.09528	4.7
149.13239	7.4
155.08551	7.6
157.10126	16.1
159.08136	4.8
159.10490	4.8
159.11642	24.4
161.09698	5.7
161.13235	29.9
167.08678	5.5
169.10149	11.8
171.11714	34.9
173.13307	14.6
175.14845	14.9
181.10127	6.9
183.11711	8.9
185.13310	10.7
187.14825	4.9
189.12791	7.9
191.14143	4.6
197.13194	7.0
207.13788	10.9
209.13217	5.0
211.14784	6.3
213.16592	5.5
231.21164	9.4
239.18102	4.6
241.19554	22.3
257.18884	4.5
259.20560	47.5
279.16006	9.4
281.17447	47.5
333.24350	11.8
447.32489	15.4
465.33472	9.0
529.38770	6.6
539.37262	77.0
557.38428	44.4
701.42059	9.6
719.44940	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	720.489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36748	2.2
54.61695	1.9
55.05515	10.2
57.03453	14.0
57.07079	36.0
57.97370	2.1
58.16971	2.0
61.02941	2.6
65.84467	1.9
67.05512	33.1
68.65620	2.3
69.03435	2.7
69.07073	19.5
70.06564	2.2
71.05002	3.1
71.08636	24.4
71.17459	4.7
78.71169	1.8
78.84246	1.9
79.05505	12.4
81.03443	2.3
81.07066	74.4
81.37542	2.4
83.04971	4.5
83.08617	17.6
85.02892	3.8
85.06556	5.9
85.10186	17.9
90.01609	2.2
91.03975	2.6
91.05486	18.7
92.01613	2.1
93.07043	12.1
95.08625	29.1
97.06549	6.6
97.10157	4.6
99.08105	3.2
105.07034	35.8
107.08614	9.9
109.06538	6.0
109.10173	10.5
118.02062	2.0
119.08585	25.8
121.10151	16.4
123.08101	6.4
123.10934	3.0
123.11729	29.1
127.80906	2.2
133.10103	2.0
136.68127	2.0
137.13251	4.0
147.11707	67.7
157.10231	2.2
165.12761	23.7
175.11217	2.3
181.00540	1.9
183.13849	4.6
229.14349	3.0
239.23660	3.8
257.24896	2.8
267.15936	92.1
285.16974	96.6
313.27390	100.0
433.20093	3.4
434.20300	3.0
447.22064	3.1
448.22137	7.3
475.21188	9.2
476.21649	17.4
477.21921	2.5
523.39990	93.0
524.40009	4.1
535.23395	2.8
536.23840	8.4
548.23920	3.2
562.25378	5.9
563.25952	5.4
622.27515	19.5
623.28186	82.4
624.27985	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	719.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.2
55.01868	7.3
55.05522	27.9
57.03435	14.9
61.02920	7.4
62.18276	4.2
64.06530	4.2
67.05507	64.7
69.07056	16.6
71.04993	5.6
73.02904	4.2
73.43866	4.2
79.05495	81.7
81.03419	18.0
81.07055	55.6
83.04966	10.1
83.08611	13.8
85.02905	9.3
85.06544	7.1
85.79668	4.0
91.05482	100.0
93.07043	79.0
93.91583	4.0
94.03165	4.2
95.04982	18.5
95.08607	42.0
95.52510	3.9
97.02892	9.7
97.06523	7.0
104.52961	3.8
105.07043	74.1
107.04938	6.4
107.08614	33.3
109.06506	8.5
109.10156	16.4
111.08080	4.8
115.05457	7.2
117.06998	28.8
119.08578	54.3
121.06563	4.8
121.10178	20.0
122.46273	4.4
123.08118	5.2
128.06233	6.0
129.04051	4.0
129.07019	24.2
131.08574	33.4
133.10135	32.5
135.11690	15.3
141.06976	6.4
143.08575	18.7
145.10139	36.4
147.11694	42.8
149.09528	4.7
149.13239	7.4
155.08551	7.6
157.10126	16.1
159.08136	4.8
159.10490	4.8
159.11642	24.4
161.09698	5.7
161.13235	29.9
167.08678	5.5
169.10149	11.8
171.11714	34.9
173.13307	14.6
175.14845	14.9
181.10127	6.9
183.11711	8.9
185.13310	10.7
187.14825	4.9
189.12791	7.9
191.14143	4.6
197.13194	7.0
207.13788	10.9
209.13217	5.0
211.14784	6.3
213.16592	5.5
231.21164	9.4
239.18102	4.6
241.19554	22.3
257.18884	4.5
259.20560	47.5
279.16006	9.4
281.17447	47.5
333.24350	11.8
447.32489	15.4
465.33472	9.0
529.38770	6.6
539.37262	77.0
557.38428	44.4
701.42059	9.6
719.44940	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	719.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.7
57.07065	1.2
59.06134	0.6
63.41000	0.4
67.05506	1.6
69.07059	0.7
69.30469	3.9
79.05490	1.3
79.39229	0.4
81.03407	0.8
81.07058	1.7
83.08593	0.6
84.58639	0.4
91.05483	1.0
93.07044	1.0
95.04987	0.7
95.08614	1.2
97.06514	0.4
98.92501	0.4
105.07053	0.7
107.08586	1.0
109.10168	0.6
117.07023	0.4
118.06504	0.6
119.08592	0.6
121.10101	0.7
135.11719	1.1
143.08565	0.5
145.10135	0.7
156.08003	0.5
156.09338	0.4
156.94760	0.4
163.11218	1.1
164.11591	0.6
179.23668	0.4
197.10786	0.9
204.06622	0.6
208.09959	0.5
209.10889	0.8
210.11598	0.6
211.12369	0.8
212.13116	0.4
221.10666	0.9
222.11649	0.6
223.08769	0.8
223.12350	1.7
224.13124	0.7
225.10347	1.0
225.13916	2.8
226.14711	0.6
227.12817	1.1
234.11687	0.5
235.08530	0.4
235.12199	0.6
237.10229	0.7
237.13882	1.8
238.14774	0.8
244.13741	0.4
249.13928	1.4
251.08173	2.3
264.35944	0.4
269.12787	0.5
275.15308	0.5
283.12500	0.5
283.15295	1.9
284.15753	0.9
285.82056	0.5
300.15201	0.4
302.13086	0.4
313.27460	1.8
314.09268	0.4
314.12912	0.8
314.27756	1.3
316.14725	0.5
338.12686	0.5
340.11002	0.5
368.13724	0.6
377.14920	0.5
378.15939	0.5
389.17819	1.1
403.15109	2.3
404.16071	0.5
404.20779	0.7
405.20871	0.8
412.16797	0.4
416.16730	0.5
417.16843	3.9
418.17853	3.1
419.18286	1.0
419.23184	0.6
420.23233	0.6
430.18625	0.9
431.18796	3.0
432.19571	3.5
433.20355	5.7
434.20956	0.6
443.18692	0.8
445.16553	1.6
445.21298	0.8
446.16772	0.6
447.21848	10.3
448.22580	1.4
449.23938	0.6
455.18500	0.4
459.22192	1.2
460.18762	0.9
461.18921	0.7
461.24329	0.6
475.21301	26.9
476.21985	5.6
487.21765	0.8
489.22824	1.3
493.22443	0.8
502.21179	0.7
503.20297	3.6
505.22552	0.5
507.23819	0.8
519.24042	1.2
521.21130	0.6
521.38300	0.9
522.38800	2.4
529.22437	0.5
534.26227	0.9
535.23370	17.4
536.23413	0.8
547.23285	2.8
549.24829	1.7
561.24951	6.3
562.25720	7.3
563.26294	3.4
579.26062	0.7
589.24567	0.8
590.25391	2.4
607.25446	1.0
621.27118	9.9
622.27863	100.0
623.28253	5.7
701.33618	1.0
701.47571	0.8
719.34094	1.7
719.45959	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79446	0.4
57.07075	1.6
58.07416	0.5
69.54595	1.1
69.55004	1.6
71.08632	1.0
79.05482	0.6
84.17416	0.4
85.10193	0.9
89.06065	0.7
103.05506	0.4
118.06560	0.4
120.08187	0.5
133.08572	0.5
135.03671	0.4
144.08075	0.4
196.09875	0.7
197.10661	0.8
204.06705	0.6
208.09804	0.5
209.10774	0.8
210.11536	0.9
211.08711	0.5
211.12372	0.6
221.10860	0.8
222.11539	0.6
223.12404	1.5
224.13152	0.7
225.10194	0.8
225.13846	3.8
226.14594	1.1
233.10860	0.4
235.12386	0.9
237.10225	0.5
237.13968	1.7
238.14578	0.4
239.08253	0.4
239.15482	0.8
247.12474	0.7
249.10297	0.6
249.13951	2.1
251.08220	2.0
251.11998	0.5
270.13840	0.4
276.16425	0.5
277.06058	0.5
287.10690	0.4
309.08777	0.6
314.13086	0.5
337.12329	0.4
338.12863	0.9
354.12234	0.4
354.16220	0.5
366.16107	0.8
368.13770	0.6
375.15652	0.5
384.17572	0.6
387.17404	0.5
389.17950	1.2
399.19656	0.9
402.15076	0.6
403.15555	1.4
403.19949	1.0
405.20926	0.8
416.16470	0.9
417.17081	4.1
418.17783	3.1
419.18500	1.2
419.23172	0.5
431.18921	2.6
432.19345	3.5
433.20038	3.8
434.20987	0.8
445.16455	1.3
445.21152	0.6
446.16968	0.7
447.21899	11.2
448.22308	1.2
455.18814	0.4
459.22400	0.8
460.19019	1.8
461.19724	1.5
462.20990	0.5
474.20480	1.1
475.21307	23.5
476.21991	5.1
487.21225	1.3
489.22940	1.3
493.22766	0.7
503.20630	3.6
507.23730	0.7
519.24030	1.5
521.24359	0.4
534.26318	1.0
535.23346	15.8
536.23700	1.1
547.23260	2.6
549.25079	1.7
561.24915	5.6
562.25793	3.8
563.26306	3.9
569.42151	0.5
579.26074	1.1
589.24182	0.5
590.25049	0.9
607.25653	1.6
621.27136	9.9
622.27875	100.0
623.28162	7.1
719.34113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44744	0.9
60.23543	0.9
71.57092	1.3
80.27416	1.1
95.08619	0.9
99.53162	1.1
119.08508	0.9
185.12021	1.1
209.10773	1.0
210.11479	1.2
223.12268	1.4
225.13866	3.4
237.13960	2.7
249.13760	1.8
251.08160	1.5
275.15512	1.1
301.11868	1.0
389.18063	1.1
403.15167	1.4
405.17062	1.1
417.17194	5.2
418.17816	2.9
431.18744	2.7
432.19382	2.6
433.20343	4.7
445.16501	1.6
447.21921	10.0
458.17856	1.0
459.22241	1.6
474.20206	2.1
475.21307	27.7
476.21805	6.8
489.23410	1.5
503.20868	3.2
535.23419	14.0
547.23419	3.2
549.24817	1.9
561.25024	6.5
562.25732	6.1
563.26227	3.1
590.24890	1.2
607.25354	1.6
621.27069	10.9
622.27875	100.0
623.28516	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	718.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
57.03416	0.7
57.07080	54.6
59.05003	12.4
67.05516	1.1
69.03448	0.7
69.07085	1.9
70.96569	1.9
71.08635	49.3
73.02929	1.2
73.06565	5.0
79.05496	1.4
81.07043	1.1
83.08624	2.3
85.10188	49.5
87.04476	16.0
87.04958	0.5
89.06036	100.0
91.07594	1.1
93.07072	1.0
95.08589	0.8
96.08163	1.3
97.10172	1.1
99.11736	4.7
101.06027	0.6
103.07600	7.4
107.07066	2.5
117.09143	4.4
119.08504	1.0
130.08661	2.2
131.07051	6.1
133.08611	74.4
134.08945	0.8
135.10211	0.8
141.16371	4.6
150.47873	0.7
161.11749	2.5
175.09679	5.2
177.11237	28.1
199.20604	5.7
219.12350	1.5
220.81946	0.7
221.13814	6.4
239.14951	1.5
243.23192	5.1
265.16400	2.0
283.17520	2.4
309.19019	1.0
327.20190	1.4
353.21744	0.8
415.25549	0.8
459.27994	1.2
465.29803	0.7
500.07681	0.8
503.30701	5.9
642.45813	0.7
701.49927	1.0
718.53613	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	718.438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.3
55.01857	3.1
55.05515	15.8
57.03447	8.5
57.07072	1.6
59.04987	4.8
61.02905	4.2
65.03933	3.1
67.05509	100.0
69.03410	5.8
69.07073	17.3
69.76846	4.4
69.77255	2.1
70.06564	1.7
71.04990	7.9
72.08137	2.0
73.02924	1.5
74.73677	1.1
79.05497	22.7
81.03435	8.7
81.06580	2.2
81.07061	41.9
83.04974	5.8
83.06084	1.9
83.08614	12.9
85.02902	3.9
85.06527	3.9
91.03956	2.2
91.05485	26.3
93.07051	27.4
95.04966	5.5
95.08616	18.6
95.75845	1.1
97.02885	5.0
97.06524	5.9
97.10178	7.4
98.20831	2.1
99.08086	2.4
105.07035	19.2
107.04944	4.8
107.08604	20.2
109.02834	1.8
109.06500	3.2
109.10163	78.2
110.07162	4.1
110.10506	1.1
111.04434	1.4
111.08092	3.8
115.05408	1.5
117.07036	9.1
117.07707	1.6
119.08575	15.2
121.06479	2.9
121.10159	8.9
121.64439	1.2
123.08107	1.6
123.11688	2.4
125.09638	11.2
127.03926	3.8
128.06224	1.2
129.06992	3.2
131.08614	9.3
133.10143	11.4
135.08055	3.0
135.11699	7.7
137.09610	3.7
143.08549	4.2
145.10115	9.4
147.11671	4.8
149.09610	8.0
149.13260	5.1
151.11206	1.9
155.08580	2.2
155.10643	2.6
157.10110	3.2
158.53468	1.2
159.11705	8.8
161.09662	1.9
161.13271	3.7
163.11188	5.3
164.24004	1.3
173.11736	19.3
173.13248	5.0
177.12781	1.4
179.10817	1.4
179.14352	1.4
187.11192	2.0
189.11205	4.3
195.13792	4.1
197.13153	1.5
227.12752	14.0
229.14365	61.5
239.17973	2.3
245.13811	1.6
247.20648	1.7
255.15846	2.8
257.19080	6.7
269.17538	9.8
275.17249	2.1
275.20102	22.1
325.19235	1.5
331.22446	2.3
349.23764	20.1
367.24741	2.5
399.23752	4.6
409.25864	11.3
423.27444	43.4
463.30402	1.9
485.32339	1.7
503.33676	31.0
510.34344	1.4
521.34393	3.8
567.31824	2.0
718.46918	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	718.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03946	1.5
55.01877	2.3
55.05528	0.4
57.03444	0.5
57.53252	0.4
61.02924	0.4
65.03930	4.0
67.05508	2.0
69.03440	1.6
69.07080	0.5
69.86292	1.7
69.86710	1.0
70.06590	3.0
71.01338	0.5
72.08161	1.2
75.04485	1.5
77.03919	0.6
78.04715	1.7
79.05087	0.7
79.05486	3.7
81.03413	3.2
81.07061	1.0
82.04179	0.4
83.04966	0.5
84.08144	1.0
85.02906	4.6
85.08316	0.5
85.30212	0.4
89.03915	0.9
89.06033	0.8
89.79887	0.5
91.05485	9.1
92.92003	0.4
93.03402	6.4
93.07051	3.5
94.04189	1.3
95.01307	0.5
95.04968	5.6
95.08611	1.2
97.02888	1.7
97.06521	2.0
102.04699	0.7
103.05470	24.6
105.03412	1.6
105.04497	0.8
105.07034	4.2
106.04171	9.4
107.04963	7.3
107.08614	0.6
108.02113	1.8
109.02887	0.7
109.06492	2.2
110.03699	0.6
111.04449	1.8
115.05479	4.1
117.03370	0.8
117.07013	3.3
118.04169	3.9
119.04942	3.9
119.08578	1.0
120.05758	0.7
121.06503	14.2
122.03654	4.8
123.04413	2.6
123.08032	0.7
124.05225	1.1
125.06013	6.5
127.03915	0.7
128.07100	1.2
129.07036	1.8
130.04160	1.0
131.04927	35.9
131.08571	0.8
132.05742	2.1
133.02843	2.0
133.06490	5.0
134.01895	0.5
134.03610	2.0
135.04410	1.3
135.08080	2.3
137.05978	61.7
138.03197	0.6
139.07529	1.7
141.05434	0.9
143.04953	2.5
144.05727	1.0
145.02834	1.1
145.06483	4.6
145.10153	0.7
145.14972	0.4
146.03621	0.7
147.04446	4.2
147.08043	1.6
147.11671	0.4
148.05197	10.5
148.07588	0.5
149.04759	1.0
149.05981	23.1
151.03906	75.9
151.07434	2.1
152.04672	0.9
153.05475	3.7
153.09096	6.5
155.06010	0.5
155.07137	0.6
157.06520	1.3
159.04457	1.4
159.08150	0.9
160.05142	2.1
161.06003	4.1
162.01326	1.6
162.06770	0.5
163.03972	3.4
163.07538	25.1
165.05499	3.3
165.09114	1.2
166.06262	1.0
167.05624	0.9
167.07043	18.8
171.04398	1.0
171.06592	0.7
172.05182	0.5
173.05995	3.7
174.06715	0.6
175.07555	4.6
176.04678	2.9
177.05473	17.6
177.09148	1.8
178.00987	0.5
179.01672	1.2
179.07072	2.0
179.08455	0.5
181.04967	26.2
181.08565	13.2
185.05943	0.6
187.07518	2.0
189.05431	1.5
189.07018	0.4
189.09074	1.9
190.00856	1.5
190.06245	0.9
191.07028	100.0
192.07689	1.8
192.94087	0.4
193.03229	1.4
193.04965	1.7
193.08614	1.9
195.06526	2.1
195.08081	0.6
199.07587	0.7
201.05536	0.9
203.07025	3.9
205.06688	0.8
205.08595	2.3
206.07199	0.5
207.06445	1.0
207.08284	0.5
207.10258	0.9
208.01921	1.2
209.08092	72.7
210.08539	1.1
213.05658	0.5
215.07014	0.6
217.06625	0.5
217.08592	1.3
217.33755	0.5
219.08229	0.8
219.10027	2.1
221.08017	1.0
223.04247	16.7
223.07523	0.7
223.09723	1.2
227.07104	0.8
233.05980	0.8
233.08090	3.2
234.06673	1.0
235.07460	1.3
235.09691	4.0
237.09105	1.3
239.06956	1.0
239.10692	0.7
241.08246	0.5
245.08072	1.1
247.07500	0.5
248.08391	0.5
249.09097	1.6
250.06166	0.6
251.07022	0.9
259.09665	0.8
263.09177	15.3
263.11990	0.7
265.08603	1.8
266.09195	0.5
267.10205	1.9
277.08560	1.3
280.07047	0.5
281.11896	0.5
293.08139	1.0
295.09598	1.6
297.11270	1.3
299.12796	0.6
307.09668	1.2
309.11121	1.3
312.08997	2.8
323.09067	0.7
325.10599	1.4
327.12286	2.7
329.13956	2.0
337.10678	1.5
339.12244	0.8
341.13708	0.8
351.12216	1.3
355.11774	7.1
357.13428	2.7
359.14731	1.7
369.13284	3.2
385.12674	1.3
387.14377	25.5
388.14835	1.0
399.14575	0.5
417.15341	2.0
547.19360	1.1
579.21869	1.2
667.61682	0.5
745.53040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
53.03940	2.1
55.01864	2.8
55.69220	0.7
59.47610	0.5
65.03929	3.2
67.05495	2.1
69.03419	1.2
69.25148	6.2
69.70607	0.7
70.06582	2.7
75.04478	2.0
77.03927	1.1
78.04707	1.6
79.05486	3.6
81.03414	2.3
81.07045	0.8
84.08132	0.9
85.02914	3.9
85.06576	0.6
89.03916	1.1
91.05485	9.1
93.03410	7.1
93.07037	2.4
94.04176	1.6
95.04971	4.7
97.02884	1.7
97.06518	2.3
103.05472	24.9
105.03384	1.7
105.07036	5.7
106.04179	10.6
107.04970	7.4
107.08587	0.9
108.02074	1.4
109.02866	1.1
109.06490	1.7
110.03716	0.7
111.04440	2.0
115.05458	5.0
115.90120	0.7
117.03338	0.8
117.07019	3.0
118.04138	3.9
119.04949	2.7
121.05662	0.8
121.06509	13.5
122.03635	3.8
123.04424	2.8
124.05218	0.8
125.05994	5.9
127.03886	0.9
129.07068	1.0
130.04089	1.2
131.04935	32.0
132.05685	2.1
133.02844	3.1
133.06493	5.7
134.03625	1.5
135.04422	1.9
135.08080	1.8
137.05977	48.9
139.07561	1.4
141.05405	0.9
143.04945	1.8
145.06497	4.2
146.03639	1.5
147.04465	3.3
147.08031	1.6
148.05196	9.5
149.05983	21.3
151.03911	64.5
151.04996	3.9
151.07494	3.0
152.04616	0.7
153.05473	5.2
153.09111	5.3
157.06505	1.5
159.04475	1.4
159.08087	1.1
160.05215	1.3
161.06015	5.8
162.01340	1.5
162.06712	1.2
163.03867	2.7
163.07552	23.8
165.05515	4.4
165.09097	0.9
167.07043	24.7
169.06470	0.9
171.06508	1.9
173.06000	4.3
174.06679	1.2
175.07541	4.5
176.04681	2.8
177.05482	16.0
177.09111	1.3
178.06328	0.9
179.06992	1.8
180.07782	0.9
181.04968	35.2
181.08553	12.5
187.07602	3.5
189.05452	1.4
189.07065	0.7
189.09151	1.8
190.06277	0.7
191.07031	100.0
192.07622	2.9
193.03270	4.9
193.04871	0.9
193.08609	2.4
195.06549	2.6
201.05367	1.1
203.07062	2.9
205.06850	0.8
205.08519	3.7
207.04683	0.8
207.06430	1.2
207.08334	0.8
207.10242	0.8
208.01811	0.8
209.08093	68.8
210.08583	1.1
217.08604	1.2
219.08197	1.2
219.10191	2.9
221.07990	1.0
223.04248	12.8
223.07587	0.9
223.09630	1.0
227.07120	0.8
231.06496	1.1
233.06039	1.0
233.08028	4.7
234.06688	0.8
235.07442	1.8
235.09648	4.6
237.09114	1.2
245.08092	1.3
249.09177	1.4
263.06598	1.4
263.09152	18.5
266.09271	0.9
267.10242	2.4
277.08572	1.1
279.06683	0.8
282.08093	0.9
295.09506	1.3
297.11194	1.9
307.09561	1.1
309.11011	1.3
312.08923	1.1
325.10623	1.8
327.12286	2.1
329.13693	1.8
337.10754	1.8
339.12292	1.2
341.13605	0.7
351.12320	1.8
355.11917	5.8
357.13467	3.1
359.14807	1.2
369.13339	3.8
385.12686	5.4
387.14389	22.3
399.14395	1.2
417.15479	6.5
421.84528	0.7
547.19531	2.0
579.22101	1.1
652.86407	0.9
718.30896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	1.2
55.05503	2.5
57.03416	1.2
57.07079	100.0
59.05006	32.0
67.05496	1.4
69.07063	3.1
70.06569	1.1
71.08636	69.3
71.56780	1.1
81.07053	2.1
83.08627	2.4
85.10188	62.4
87.04470	6.0
89.06035	44.9
95.08580	1.3
97.10176	2.9
99.11734	10.6
101.09684	2.2
103.07546	1.1
107.07048	2.2
113.13299	5.2
116.07126	1.1
117.09144	12.9
130.08661	2.3
131.06992	2.9
133.08611	37.7
133.09613	1.9
155.17949	8.8
171.96902	1.0
175.09660	1.3
177.11226	12.6
195.21199	1.3
213.22162	18.8
221.13922	1.7
271.26321	18.8
283.17529	1.3
299.15491	1.0
371.22821	8.7
429.26578	1.8
503.30447	1.3
538.83673	1.1
716.54913	2.3
735.21387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03936	1.9
55.01860	3.0
57.03436	0.9
65.03607	1.4
65.03944	24.0
67.05498	3.5
69.03417	1.8
69.93355	3.5
70.06596	4.9
72.08144	1.8
75.04477	0.9
78.04716	1.2
79.05487	3.0
81.03412	2.1
81.07052	1.4
82.04212	4.4
83.04951	0.7
84.08145	2.8
85.02905	3.1
91.05482	8.3
93.03407	14.9
93.07058	2.5
94.04196	0.7
95.01331	3.2
95.04964	4.8
95.08575	0.7
97.02912	3.8
97.06528	2.3
103.05469	3.7
105.03353	0.9
105.04504	1.1
105.07017	2.3
106.04173	9.4
107.04955	7.8
107.08636	0.9
108.02097	2.3
108.82791	0.7
109.06554	1.2
109.10098	0.7
110.03661	20.2
111.03701	1.4
111.04457	25.8
115.05453	1.6
117.03378	1.4
117.06995	1.0
118.04121	1.0
119.04945	1.8
119.08571	1.2
121.02002	1.0
121.02871	18.5
121.06516	10.9
121.10069	0.7
123.04433	2.6
124.05215	1.0
125.05999	28.0
125.88670	0.7
127.03942	1.2
128.06256	0.9
128.07101	1.7
129.07039	1.2
131.04936	3.0
133.02849	1.1
133.06506	2.3
134.01836	0.8
134.03648	1.5
135.04439	2.0
137.05997	3.5
138.03113	2.9
138.06746	0.7
139.07491	0.9
144.05692	0.8
145.02939	0.7
145.06505	2.6
146.06068	0.7
146.07248	1.5
147.04433	3.2
147.08047	1.5
148.05144	2.1
149.02388	1.1
149.05994	18.0
151.03888	2.0
151.07545	2.1
153.05473	100.0
153.09027	3.9
154.05843	1.0
159.08043	4.8
161.06009	3.2
162.01326	2.2
163.03906	3.8
163.07500	1.9
165.05417	1.2
165.06950	1.3
167.07057	21.9
167.08386	0.9
173.05960	1.1
174.06738	1.4
175.07501	4.3
176.04584	0.9
177.05496	12.3
178.07739	0.8
179.01637	1.0
179.07127	1.2
179.08562	1.6
181.04984	2.7
181.06401	1.3
181.06700	1.3
181.08588	10.3
181.10045	1.2
182.07256	1.0
186.06818	0.9
187.07501	1.7
189.06998	1.0
190.00871	1.7
190.07776	0.9
191.07051	6.5
191.08569	2.0
192.07886	1.0
193.08662	1.5
194.07297	1.7
195.06459	0.8
195.08060	2.6
197.06082	1.0
197.09630	1.4
198.06709	0.9
199.07578	1.4
204.07880	2.3
205.06691	1.4
205.08554	1.3
207.08113	2.0
208.01875	1.8
208.08893	1.9
209.08081	44.7
210.06746	2.5
210.16832	0.7
211.07602	2.3
213.09172	1.0
215.07010	0.8
216.07784	5.6
217.08546	0.8
218.07295	1.1
219.08076	4.2
220.08844	1.8
221.05925	1.4
221.09639	0.9
222.06805	1.3
223.04242	25.3
223.07431	3.8
224.08310	1.1
225.09116	3.0
226.06273	2.7
226.09912	1.2
229.08609	2.7
235.07584	3.9
236.08316	2.7
237.09093	2.7
238.06256	1.9
239.06996	6.3
239.10719	2.4
240.07730	1.2
241.08499	0.9
247.07497	2.0
247.09703	13.4
248.08330	1.1
249.09152	1.7
251.07101	2.4
251.10707	4.6
252.07794	2.0
253.08623	13.6
254.09439	4.2
255.06696	1.0
255.09956	1.0
261.09338	1.0
263.06967	1.2
264.07828	3.1
265.08521	3.9
266.09335	1.9
267.10144	3.6
268.07455	1.4
268.10623	1.0
269.08401	0.9
269.11743	6.5
274.06250	0.7
276.07770	2.1
277.08597	2.4
278.09409	1.5
279.10190	3.0
281.08142	2.3
281.11560	1.2
282.08835	4.5
283.09622	1.8
284.06879	1.4
293.08221	1.2
293.11850	1.0
294.08862	2.1
295.09647	3.6
297.11176	9.8
298.11679	1.8
299.09167	7.4
307.09662	12.8
308.10455	0.9
309.11234	1.6
311.09186	2.0
311.12613	0.8
312.09027	2.8
319.09570	1.1
321.11096	1.5
325.10715	51.8
326.11298	2.8
327.12308	1.3
329.13892	1.2
330.10031	1.1
337.10718	2.2
339.12299	21.7
340.12866	4.2
341.13885	4.1
351.12259	2.0
352.13077	1.9
353.13959	1.6
355.11761	0.8
357.13336	57.4
358.13730	1.0
369.13379	5.1
370.14227	2.1
371.14908	1.4
387.14377	2.8
392.94992	0.8
582.16028	0.7
717.46771	14.3
718.26434	1.5
718.46967	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	714.552
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69111	0.5
53.03942	1.2
55.05525	6.4
56.05070	3.8
57.07069	2.2
58.06590	0.9
60.04529	2.9
65.03944	0.8
65.06919	0.6
67.05184	0.7
67.05515	11.2
69.03432	1.0
69.07074	8.5
70.06579	1.7
71.08617	1.8
71.29484	1.0
78.41196	0.6
79.05502	9.5
80.05027	3.2
81.03434	0.6
81.05817	1.4
81.07076	10.1
82.06592	6.4
83.08630	4.7
85.02902	1.7
85.10199	1.3
90.91713	0.7
91.05486	8.9
91.33634	0.5
93.07054	10.0
94.06581	18.5
95.04970	1.8
95.07375	8.9
95.08624	8.7
96.08141	5.6
96.83603	0.6
97.10164	2.3
105.07035	7.0
107.08607	4.4
108.08130	3.7
109.10158	2.4
109.39006	0.6
114.08058	0.6
119.08585	5.2
121.10146	6.6
122.09673	2.6
123.11703	2.0
133.10150	3.9
135.10661	0.5
135.11670	3.6
136.11211	0.8
137.13318	0.9
138.07452	0.5
147.11676	1.8
147.88898	0.5
149.13313	1.2
153.50571	0.5
159.85075	0.6
161.13261	0.7
162.75888	0.6
219.21126	0.9
233.22707	3.7
245.22621	4.4
250.25348	7.3
254.24760	0.9
262.25339	100.0
263.25699	1.9
272.25903	4.9
280.26431	5.7
291.27328	0.6
368.72693	0.7
469.44559	0.6
504.47763	6.1
516.47827	26.1
517.47681	0.9
518.49384	5.1
534.48865	15.4
535.48987	0.8
696.54535	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	716.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01867	4.2
55.05303	2.1
55.05521	21.0
57.03440	10.2
57.07074	2.1
59.05004	4.1
60.99289	1.4
61.02932	2.6
65.03944	3.0
67.05509	90.2
69.03443	8.9
69.07073	23.3
69.24001	14.1
70.06586	2.1
71.04992	3.7
72.47707	1.5
73.02919	1.8
79.05499	21.3
81.03428	5.4
81.07063	33.6
83.04968	3.0
83.08628	9.8
84.18170	1.7
85.02898	4.7
91.03956	2.0
91.05496	19.9
93.07052	17.7
95.04990	7.8
95.08623	14.6
97.02901	9.8
97.06526	4.5
97.10175	8.5
98.20765	2.9
105.07040	9.5
107.04967	6.9
107.08616	10.5
109.06507	3.3
109.10166	72.4
111.08066	3.9
116.06262	2.2
117.07015	6.4
119.08590	16.1
121.06502	1.9
121.10131	4.5
123.08090	5.3
125.09644	7.1
127.03914	2.2
129.07002	2.6
131.08565	4.8
133.06477	2.3
133.10114	7.7
135.08073	2.6
135.11725	1.8
137.09560	4.1
143.08606	2.0
145.10130	4.5
147.08064	6.3
149.09601	1.9
155.10657	3.9
157.10107	2.4
159.11696	3.0
161.09669	1.8
163.11172	2.0
173.11777	17.9
189.11320	5.0
205.12164	2.1
223.13252	14.1
227.12848	3.7
229.14365	68.2
245.19124	2.7
249.14890	4.3
253.14284	4.7
273.18512	11.5
291.19562	85.4
292.19937	3.3
347.22083	3.5
365.23257	45.0
439.26825	3.2
501.32706	1.7
519.33185	100.0
520.33472	4.4
716.43488	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	714.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05517	5.4
56.05041	4.0
57.07077	2.5
60.04507	2.2
62.23330	0.5
65.03931	0.6
67.05170	0.8
67.05507	11.0
68.05019	1.5
69.03419	0.8
69.06715	0.8
69.07068	8.0
69.91744	2.7
70.06570	1.5
71.08628	1.7
79.05501	9.9
80.05015	2.3
81.03410	0.6
81.05789	1.7
81.06641	0.8
81.07063	9.0
82.06580	6.8
83.08620	5.3
85.02903	2.2
85.10186	0.8
91.04963	0.8
91.05482	8.3
93.07044	9.1
94.06578	16.1
95.04992	0.9
95.07358	7.5
95.08617	7.6
96.08128	5.1
97.02880	0.7
97.06538	0.6
97.10182	2.3
98.20794	0.6
100.07614	0.5
105.04501	0.7
105.07051	5.5
107.07411	0.5
107.08601	5.4
107.21510	0.5
108.08130	3.4
109.10172	3.3
110.09629	0.6
111.11701	0.7
119.08596	5.8
121.10149	5.8
122.09655	2.3
123.11683	1.1
127.03906	0.6
133.10146	4.5
135.10541	0.9
135.11702	2.8
136.11237	1.1
147.11670	1.1
149.13203	1.0
157.34135	0.5
161.13280	0.9
175.14806	0.6
191.69098	0.5
197.54031	0.5
233.22603	3.7
245.22667	3.7
250.25351	8.2
262.25311	100.0
263.25693	1.9
272.25879	5.0
280.26349	6.0
314.26840	0.6
400.37817	0.5
504.47745	4.3
516.47791	25.1
517.48077	0.9
518.49316	5.4
534.40997	0.8
534.48840	13.2
534.77057	0.5
535.49353	0.8
643.36414	0.6
696.54071	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	714.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	20.9
55.05500	26.4
57.03424	17.4
61.21994	16.6
66.09423	13.1
67.05499	96.7
69.07053	34.6
71.57066	14.8
71.63902	12.8
73.89407	14.7
79.05496	58.7
81.07056	91.0
91.05459	37.1
93.07046	66.1
95.08601	64.7
105.07036	47.0
107.08598	42.7
109.10170	49.8
115.29047	14.4
119.08609	27.0
121.10126	26.8
122.93418	15.1
131.08511	28.3
135.11661	16.7
147.11673	27.0
153.66910	16.0
159.11668	19.6
176.38756	15.7
229.14389	72.0
239.16324	13.5
261.22217	24.2
335.25928	100.0
425.34509	15.0
489.35516	44.3
499.37875	31.1
517.38800	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	713.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01868	1.2
55.05490	0.2
57.03437	0.9
57.71457	0.2
61.02926	1.4
65.78952	0.2
67.05479	0.2
68.99800	1.1
69.03432	5.4
69.71540	0.9
69.71947	0.5
70.06596	4.3
71.04986	0.8
71.06917	0.2
72.08159	8.6
73.02934	1.6
79.05487	0.4
81.03424	6.4
81.07048	0.5
83.56738	0.2
84.04502	0.4
84.08148	0.6
85.02907	10.3
86.06027	0.2
86.09676	0.2
87.00828	3.4
87.04432	0.2
87.79826	0.2
88.96220	0.2
89.10810	1.3
91.03951	0.7
91.05489	0.4
93.07061	0.4
94.06606	0.2
95.04977	0.5
95.08587	0.2
96.08136	1.8
97.02908	4.2
97.06525	0.2
97.08454	0.5
97.39388	0.2
98.20824	0.4
99.04463	2.3
101.02338	0.2
105.01883	2.0
105.07037	0.2
107.04971	0.4
107.08590	0.3
109.02130	0.3
109.02885	5.7
110.06029	0.5
111.00793	0.6
112.07558	0.2
112.11274	0.2
114.09200	0.4
115.03970	0.3
117.01836	0.8
117.06957	0.2
119.04991	0.2
119.08554	0.2
121.02873	0.9
121.10152	0.4
127.03922	7.6
128.07117	0.3
129.01846	0.7
133.10182	0.3
135.04376	0.4
136.07584	0.2
137.02350	2.9
145.02856	0.3
145.04967	2.7
145.10100	0.3
147.02950	0.4
147.04391	0.6
149.02393	0.4
150.09149	0.4
153.01825	2.9
153.05473	0.2
153.10268	0.2
159.02905	2.8
163.03934	1.1
163.11211	0.2
165.01836	1.6
173.05966	0.3
177.05482	0.5
178.05835	0.2
180.10071	0.3
183.02892	0.9
187.03827	0.2
191.06989	0.3
195.02966	0.3
198.11201	0.2
201.05452	1.0
208.13242	0.3
213.03990	0.2
227.12878	0.5
229.04973	3.2
231.04953	1.4
247.06024	0.6
257.04456	3.0
262.18073	0.2
274.04663	0.5
279.20645	0.3
280.19077	0.2
283.15448	1.1
285.04053	1.0
303.05002	100.0
304.05331	2.5
313.17587	0.3
328.21155	0.3
345.06018	0.7
352.21204	0.3
353.24426	0.9
354.22815	1.0
371.25513	2.1
388.23352	1.9
389.23550	0.7
465.10309	10.7
466.10513	0.3
481.06073	0.2
497.28320	0.4
533.30566	2.2
550.28418	0.7
551.20789	0.2
551.31281	1.1
656.05817	0.2
695.36017	3.5
712.33679	1.6
713.35083	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	713.1562
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.00312	0.2
53.03945	1.1
55.01872	1.5
57.03421	0.8
59.32544	0.2
61.02938	0.9
67.05513	0.2
68.99777	1.0
69.03083	0.3
69.03432	5.1
70.06600	2.0
71.01331	0.2
71.04990	0.5
71.08317	0.2
71.54800	0.2
72.08170	0.3
73.02908	0.9
81.03426	5.8
81.03905	0.3
81.07015	0.2
84.04417	0.2
84.08162	0.3
84.17707	0.2
85.02911	9.6
86.09749	0.3
87.00835	4.0
91.03422	0.2
91.03951	0.5
91.05475	0.5
93.45234	0.2
95.04965	0.3
97.02892	3.9
97.06532	0.3
99.04456	2.1
101.02374	0.3
103.03947	0.2
105.01868	2.8
109.02889	5.2
111.00814	0.8
117.01857	0.6
119.04996	0.3
121.02864	0.9
123.04449	0.3
127.03923	7.9
129.01816	0.6
135.04434	0.3
137.02344	2.4
137.03304	0.3
145.02928	0.2
145.04987	2.9
145.06102	0.2
147.02898	0.4
147.04387	0.8
148.04709	0.2
149.02357	0.4
153.01833	3.3
159.02890	3.1
163.03911	0.8
165.01840	1.7
166.08621	0.4
173.06010	0.4
173.13226	0.2
183.02890	0.9
187.03896	0.4
195.02858	0.4
201.05463	1.4
212.09242	0.3
213.03900	0.4
219.06493	0.2
229.04968	3.9
231.05049	1.4
247.06097	0.7
250.86850	0.2
257.04471	2.5
274.04739	0.8
285.03958	1.6
303.05002	100.0
304.05344	2.4
340.07886	0.2
345.06094	0.4
465.10318	16.7
466.10748	0.8
551.10382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
52.85645	0.2
53.03953	0.6
55.05513	3.0
57.03438	0.5
59.04992	0.4
61.02921	0.5
61.12987	0.2
65.03934	0.3
66.66763	0.2
67.05512	1.4
69.03433	3.5
69.07072	0.5
69.40119	1.9
70.06573	0.3
71.04995	0.6
72.08134	0.2
74.24370	0.2
78.03452	2.4
79.05493	0.7
79.47820	0.2
80.05031	0.5
81.03425	1.6
81.07073	1.7
83.04990	3.6
83.08619	2.0
84.04550	0.4
84.08171	0.4
85.02912	2.4
85.06554	0.4
87.00841	0.9
87.04500	0.3
91.05492	1.3
93.07040	1.0
95.04979	5.9
95.08614	0.8
96.04472	0.5
97.02899	100.0
97.06534	0.9
98.03226	0.8
99.04456	1.7
105.01881	0.3
105.07045	1.5
106.02927	10.3
107.08598	1.9
109.02903	1.8
109.06537	0.8
109.10165	2.8
111.04459	1.4
111.08088	0.5
119.08601	0.8
121.10188	1.3
121.10908	0.3
123.08077	0.6
123.11729	1.1
124.03963	17.5
125.09657	0.4
127.03931	2.5
129.01825	0.3
129.05521	0.8
131.08580	0.9
133.10136	3.6
135.08051	0.8
137.06004	0.5
143.08566	0.2
145.04993	0.3
145.10133	0.6
147.04410	1.8
147.11697	0.8
148.04791	0.3
149.13304	0.9
151.11211	2.3
153.09137	2.3
158.10989	0.3
159.02910	0.5
163.03954	0.5
163.14760	0.3
165.12718	0.3
167.14342	3.0
173.13301	2.3
177.05489	0.5
181.12210	0.3
189.12790	0.3
191.14319	2.1
196.06068	1.3
209.15373	11.7
213.04041	0.3
214.83730	0.3
215.05539	0.3
220.06058	15.1
223.24844	0.3
231.05037	0.7
238.07109	9.8
254.06642	3.9
256.08194	3.3
280.08273	1.3
302.07574	0.2
322.09384	0.4
346.09363	0.4
364.10352	0.7
400.12549	1.6
424.12173	0.5
442.13470	1.1
464.22864	0.5
468.11401	2.6
469.11349	0.3
486.12454	17.8
487.12946	0.4
504.13324	1.6
622.88867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
54.68365	0.4
55.01850	0.9
55.05469	0.4
57.03431	1.9
61.02893	1.2
65.03914	0.6
65.87919	0.4
67.05481	0.8
68.99770	0.6
69.03430	10.1
70.06572	1.0
70.73417	0.9
71.04959	0.9
72.93754	0.5
73.02913	2.5
76.00352	0.4
79.05449	1.3
81.03423	7.7
81.07015	1.0
85.02909	10.6
86.09702	0.6
87.00834	2.3
91.05489	2.7
93.07019	1.2
95.01322	0.7
95.08586	0.5
95.76525	0.4
97.02900	7.2
99.04461	2.7
101.02341	0.6
102.04683	0.7
103.03910	1.1
103.05476	2.4
105.01841	1.3
105.03374	0.6
105.07021	4.4
106.07185	0.4
107.04984	0.9
107.08546	0.9
109.02226	0.6
109.02882	7.5
109.10129	0.6
115.03867	0.5
115.05417	0.6
116.07088	0.7
118.04134	0.8
119.04958	3.0
119.08569	0.6
120.08102	0.5
121.06480	0.9
121.10121	0.6
123.00788	3.0
123.04411	0.6
124.05156	1.7
125.02212	0.4
127.03918	9.0
128.06178	1.2
129.01955	0.4
130.04100	1.0
131.04939	7.0
131.08537	0.7
133.02820	0.6
133.06502	2.7
133.10104	0.9
135.04404	1.3
137.02312	0.5
137.06001	2.9
138.06577	0.4
145.02806	0.6
145.04932	1.5
145.06483	0.5
145.10060	0.8
146.03613	3.9
147.00783	0.5
147.04439	4.8
147.11703	0.6
148.05051	0.4
149.05856	0.7
150.06696	0.5
151.07526	0.9
152.01047	2.2
153.05429	1.5
153.06728	0.5
156.05692	0.8
159.02881	1.1
159.95946	0.4
161.05991	5.8
162.06744	2.4
163.03859	0.8
163.07547	8.7
165.09172	0.5
167.07085	0.7
168.05640	0.9
170.02132	0.8
171.08052	8.3
173.13232	1.5
175.14833	0.6
177.05588	0.4
179.07062	0.5
180.07803	1.8
181.06435	0.6
181.08595	0.5
183.08023	1.4
184.05182	1.7
187.06071	2.1
187.07457	0.5
199.07494	0.9
209.05957	3.3
211.03877	0.6
211.07515	1.3
212.04628	1.2
223.03876	0.9
225.05449	0.5
229.08640	2.3
239.06963	1.3
240.04121	1.7
240.07765	3.2
241.04980	0.7
252.04211	1.6
253.05095	0.7
255.06528	100.0
256.06958	3.5
267.06699	2.4
268.07349	0.5
269.04453	1.1
269.07986	0.8
270.05179	0.5
281.08093	1.8
283.06018	45.0
284.06754	18.4
285.07596	21.1
295.05994	0.7
317.06763	0.5
325.07257	0.9
339.08792	0.6
383.15207	0.9
413.10132	2.0
430.10794	0.5
433.12756	4.9
445.12848	20.2
446.12952	1.0
463.13882	76.6
464.14236	2.7
487.13858	0.5
505.15128	1.1
531.13165	0.6
623.37524	0.7
625.19165	7.9
626.20111	0.5
667.20056	5.0
693.18109	1.9
711.06683	0.9
711.19226	18.5
711.30957	0.8
712.19666	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.9
55.01870	0.3
59.05003	0.4
65.03931	1.6
67.05518	0.2
68.24596	0.2
69.03429	1.3
69.31560	1.3
70.06586	0.8
71.04990	0.5
72.08150	0.6
73.02916	0.5
79.05494	0.2
81.03426	2.1
83.04984	0.3
84.08157	0.4
84.27737	0.2
85.02908	1.9
86.09695	0.2
87.04459	0.2
89.06046	0.9
91.05485	10.9
95.04976	0.3
97.02892	1.8
99.04462	2.6
102.98573	0.2
103.03945	0.6
103.55640	0.2
107.04943	0.2
109.02881	5.1
109.03592	0.4
119.04948	24.2
120.05272	0.2
127.03921	91.5
128.04251	0.8
128.07115	0.2
133.08606	0.4
145.04961	1.0
147.04414	100.0
148.04749	1.4
151.02371	0.2
153.05371	0.2
163.04005	0.2
165.05490	0.4
175.02328	0.2
178.04858	0.2
180.29875	0.2
187.06061	0.9
206.04527	0.3
213.04007	0.2
235.06143	0.2
253.07083	0.3
255.06473	0.9
259.04489	0.7
262.11945	0.2
271.08154	0.6
273.07513	0.5
279.05042	3.3
291.08594	0.3
415.25464	0.2
585.14648	0.2
711.23358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14286	0.5
54.13255	0.6
59.67629	0.5
61.24305	0.5
67.49359	0.5
71.54179	0.5
81.29119	0.6
91.05491	1.1
115.05444	1.2
117.05722	0.6
117.07027	0.9
118.06543	18.1
130.06522	1.6
132.08115	5.5
142.06509	1.8
143.07274	2.3
144.08095	11.2
146.06015	59.7
147.06348	1.4
159.09158	6.0
160.07590	1.4
170.06044	4.8
177.16316	0.6
188.07071	100.0
189.07375	1.8
205.09732	44.3
206.10057	0.8
290.61804	0.5
428.78571	0.6
441.83173	0.6
578.17139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.1
53.58772	2.1
55.05518	14.1
57.03440	7.4
57.07079	3.0
61.02925	14.3
63.60431	2.2
67.05507	34.3
69.03423	5.0
69.07059	12.8
69.79723	13.8
70.06594	5.8
72.08162	5.2
73.02915	5.2
79.05502	42.7
79.16994	2.2
81.03427	10.0
81.07062	37.6
83.04996	5.3
83.08616	7.8
85.02905	20.1
91.03968	13.9
91.05489	33.9
93.07049	55.1
95.04972	5.4
95.08624	24.1
97.02881	16.1
97.06535	3.3
99.08118	3.2
105.07042	37.4
107.08595	29.2
109.06506	3.1
109.10165	12.9
110.10546	3.0
115.03890	3.2
117.07038	9.8
117.12439	2.3
119.08599	33.1
121.10140	24.1
123.08047	2.5
123.11703	5.0
127.03918	10.9
127.07464	2.7
129.07036	6.4
131.08586	16.2
133.10129	31.0
135.11702	20.3
136.96207	2.9
139.03859	2.4
143.08580	6.1
145.04987	6.6
145.10133	13.3
147.04443	4.9
147.08028	3.3
147.11676	20.4
149.13284	12.1
153.05464	4.2
157.10165	6.2
159.11728	12.6
161.13292	16.3
163.03838	3.8
163.06075	8.0
163.11176	8.1
163.14801	4.6
165.09085	6.9
171.11749	8.9
173.13234	5.4
175.14857	10.9
177.64827	3.4
185.13254	8.2
187.14807	3.6
199.14861	6.5
211.61743	3.4
229.14314	4.2
231.21109	6.2
238.87201	2.7
241.19568	18.3
259.18005	4.1
259.20615	47.1
277.21667	5.2
333.24390	8.5
349.23538	2.9
351.25302	100.0
405.33118	3.0
441.26166	8.6
445.03787	2.6
477.28220	6.4
495.29318	9.7
639.68335	3.2
677.94208	2.5
710.30933	4.6
710.43408	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	707.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96594	0.5
57.03431	0.5
61.98495	0.4
62.87927	0.4
69.03432	0.7
70.06588	0.4
70.15290	1.2
72.08145	0.5
82.99882	1.2
85.02905	0.6
97.02914	1.0
98.97556	0.8
101.00888	4.1
101.02965	0.4
109.02812	0.6
113.00909	0.7
119.01930	10.2
122.01441	0.5
127.02445	1.4
127.96695	0.4
131.01952	3.5
133.03458	0.5
137.01950	0.5
137.02948	1.1
138.05437	0.6
143.01913	14.1
145.03506	7.4
147.01360	0.7
147.04356	0.5
152.02454	0.5
155.01900	8.9
157.03484	4.3
161.02979	15.2
163.04686	0.5
167.01912	6.3
167.67299	0.5
169.03468	2.7
171.05003	2.3
173.02982	13.3
174.03226	0.4
175.04546	1.5
177.05501	0.7
179.01903	2.6
184.04497	0.5
185.02971	33.8
186.03128	1.1
187.04509	3.8
191.03995	0.9
197.02979	13.3
199.04596	1.3
203.03989	7.6
209.02977	1.5
215.04007	8.0
221.02969	0.9
221.05078	1.3
227.04053	8.4
233.05205	0.8
237.02719	0.6
239.03918	0.7
245.05093	100.0
246.05263	2.7
257.05084	4.6
263.06168	11.4
273.03146	0.5
275.06161	10.6
284.06729	0.9
284.56833	0.5
286.07727	0.6
293.07303	2.9
305.07202	10.0
335.08380	3.3
347.08472	0.5
365.09369	38.1
366.09583	1.4
383.10223	2.0
425.11459	30.9
426.11563	1.0
437.11469	1.9
455.12274	1.6
485.13458	0.9
518.46973	0.5
545.15680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02555	1.2
53.03938	1.4
55.05524	2.6
57.07081	2.3
62.70668	1.0
65.19393	0.9
67.05509	4.8
69.03417	1.9
69.07064	1.7
69.89477	5.4
71.04996	3.5
79.05490	4.4
80.11372	1.1
81.03452	1.4
81.07054	5.8
87.04475	7.0
91.05482	3.4
93.07059	3.5
95.08630	2.7
98.20827	1.4
103.62340	1.0
105.07043	3.5
107.08653	1.2
119.08601	1.2
121.10178	1.5
133.10141	1.8
135.11729	1.5
181.64743	1.0
221.99384	1.2
247.56789	1.0
260.84094	1.0
283.15903	1.3
362.95041	1.1
418.16696	1.9
431.17593	1.5
432.18289	5.2
446.20178	8.1
447.20364	2.5
460.17471	4.0
460.22055	3.0
461.22025	2.1
462.22961	1.4
473.23291	1.3
474.19730	4.9
475.20285	4.4
488.25000	2.0
490.22388	1.9
500.24734	1.7
501.03180	1.2
502.22366	5.5
516.24103	3.9
517.24701	8.0
530.22345	1.7
531.26373	1.5
532.27594	6.1
544.24072	1.2
545.24103	12.5
546.25098	3.8
549.25153	3.1
560.26630	21.4
562.24225	1.7
576.25775	1.9
590.27856	1.8
604.28833	5.4
618.30945	11.4
619.31543	7.4
632.28760	21.0
633.29126	1.6
646.30481	3.2
647.31030	69.3
648.31396	4.3
706.32410	100.0
706.44440	3.7
707.32593	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	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
53.03942	4.1
55.01869	7.7
55.05513	13.5
57.03418	4.3
57.07068	2.6
59.04983	4.2
62.11560	1.3
65.03928	2.7
67.05508	24.4
69.03428	14.6
69.07072	21.8
70.06600	2.7
71.04992	2.5
71.55699	1.5
72.08138	1.7
73.02904	3.2
77.38732	1.5
79.05493	17.9
81.03057	1.3
81.03427	15.5
81.07058	37.9
83.04980	6.8
83.08626	11.9
85.02904	20.0
85.06539	5.3
85.28730	1.2
85.52824	1.1
87.00844	9.8
91.05487	17.3
93.07050	31.8
95.04980	3.9
95.08612	33.1
97.02898	11.8
97.06094	1.1
97.06538	10.7
97.10167	2.6
99.04444	5.5
99.08082	2.5
103.05441	1.4
105.01845	4.9
105.07037	34.5
105.63349	1.4
107.04949	1.7
107.08598	56.6
108.08881	1.4
109.02895	10.6
109.06531	11.9
109.10161	50.7
109.65856	1.2
111.08101	16.7
111.11707	2.5
113.02390	1.3
115.14935	1.2
117.06998	5.3
117.45081	1.1
119.05020	1.4
119.08585	35.9
121.06516	2.9
121.10148	27.0
123.08060	5.9
123.11704	11.0
125.09637	10.3
127.03924	13.9
128.06207	1.2
129.06999	3.8
131.08571	10.1
133.10139	28.4
135.08038	3.5
135.11707	30.8
137.05954	1.7
137.09602	9.3
137.13237	5.1
139.07587	2.0
139.11191	5.2
142.07765	2.4
143.08592	6.4
144.09326	1.9
145.04990	4.4
145.10133	21.1
147.04330	1.4
147.08147	1.4
147.11703	31.9
149.09613	3.1
149.13289	9.6
151.11159	3.1
153.05537	1.8
153.12744	1.8
155.08548	1.8
157.10112	10.4
158.10924	2.1
159.02927	5.0
159.11687	20.7
161.09595	2.2
161.13254	13.2
163.03867	3.1
163.11183	4.0
163.14806	3.2
165.09151	6.5
165.12753	34.7
167.07071	2.1
167.14313	1.9
169.10097	2.8
171.11687	9.4
172.12390	1.7
173.09625	1.7
173.13257	12.8
175.11191	4.4
175.14793	9.5
177.12720	1.9
177.16437	3.9
182.10843	1.6
183.11661	4.2
185.13322	8.3
187.14861	12.1
189.12781	1.9
189.16377	4.3
191.17982	4.1
193.12286	12.1
193.15938	7.6
197.13290	4.0
199.14861	8.5
201.16389	32.1
203.14429	1.8
203.17981	37.0
209.13184	3.8
211.14821	3.9
213.16399	13.6
215.17947	5.0
217.15816	2.4
217.19461	1.4
221.15373	3.5
223.14859	4.1
225.16373	2.7
226.17006	1.9
227.17970	8.0
229.19528	1.5
231.17383	4.4
233.18837	2.7
235.17061	1.6
237.16380	2.0
238.09415	1.4
241.19559	2.4
249.16206	1.8
249.18538	20.9
251.17935	2.9
253.19588	4.2
255.21075	3.9
257.22629	3.6
267.21094	4.3
269.19675	1.3
269.22638	34.9
277.21677	2.3
279.21078	2.5
281.22690	1.7
287.23718	10.9
293.22571	3.5
311.23645	1.6
321.25589	2.8
329.24835	2.5
338.20203	1.4
347.27307	2.1
361.28824	2.8
403.29153	1.8
403.33588	35.3
421.34671	100.0
422.34702	3.6
439.35773	18.1
705.28522	1.5
705.41010	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	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03954	4.0
55.01875	9.8
55.05268	0.7
55.05517	10.6
57.03440	3.6
57.07064	2.4
59.05008	6.0
61.02941	1.6
65.03944	1.1
67.05509	20.5
68.99796	1.3
69.03431	14.3
69.06721	1.4
69.07074	18.7
69.91840	2.8
69.92246	1.2
71.04990	2.7
71.08625	0.7
73.02917	2.8
79.05500	15.1
81.03419	12.1
81.07062	31.6
83.04980	5.1
83.08624	10.5
85.02911	20.4
85.06564	3.4
87.00841	8.0
91.05483	13.4
93.07053	27.8
95.04970	3.7
95.08614	30.3
97.02909	8.7
97.06533	4.9
97.10175	2.1
99.04457	5.2
99.08098	1.8
103.05476	1.0
105.01846	3.3
105.07040	26.0
107.05019	0.9
107.08604	55.9
108.08923	0.9
109.02880	9.4
109.06516	9.9
109.10165	45.7
111.08087	14.9
111.11733	1.0
115.03955	0.8
117.01852	1.6
117.07004	3.6
119.08594	35.1
121.06517	1.7
121.10149	25.4
123.08082	5.4
123.11713	11.1
125.09632	7.1
127.03919	9.6
127.11168	1.0
129.01833	1.2
129.07021	2.0
130.07788	0.9
131.08563	8.7
133.10143	27.2
135.08122	0.8
135.11700	23.0
137.05995	0.8
137.09622	7.1
137.13237	4.8
139.07549	2.6
139.11203	4.2
141.09106	1.0
142.07779	1.8
143.08545	5.4
144.09344	1.8
145.04965	3.3
145.10132	17.7
147.04355	0.9
147.08072	1.0
147.11705	33.3
149.09648	2.3
149.13264	11.2
151.11151	2.0
153.05460	0.8
153.09137	0.8
153.12756	1.8
155.08531	1.6
156.09380	1.0
157.08844	0.8
157.10141	9.8
158.11023	1.0
159.02917	4.0
159.11719	22.2
160.12286	0.8
161.09680	0.9
161.13258	11.2
163.11237	4.1
163.14853	3.5
165.09154	2.0
165.12769	33.5
167.14307	1.9
169.10135	1.9
170.10849	1.3
171.11696	8.3
172.12440	1.2
173.09700	0.8
173.13278	11.9
175.11250	3.6
175.14830	7.7
177.12856	1.2
177.16417	2.9
181.10219	1.0
183.11688	4.2
185.13280	8.2
187.11205	1.1
187.14841	11.6
189.12781	0.8
189.16484	3.8
191.17981	4.4
191.66554	0.7
193.12271	13.0
193.13939	1.4
193.15820	4.5
195.11729	1.8
195.17404	1.0
196.12595	1.0
197.13283	3.0
199.14838	6.4
201.16397	31.9
203.14345	1.5
203.17970	32.8
207.17430	0.9
209.13297	2.3
211.14810	4.0
213.16393	10.9
215.18004	4.6
221.13406	1.2
221.15404	3.8
223.14900	2.4
225.16371	3.0
226.17155	2.5
227.17978	9.9
227.49368	0.8
229.19516	2.9
231.05016	1.5
231.17438	4.5
233.19034	1.5
237.16312	1.7
239.18019	1.7
241.19542	2.5
249.16537	0.9
249.18536	22.9
251.17932	3.9
253.19525	3.5
255.21173	4.6
257.22696	4.2
265.19577	1.8
267.21103	3.8
269.22659	32.8
270.23032	1.3
277.19257	0.9
277.21918	1.1
279.21112	1.9
281.22690	1.3
283.24078	1.1
287.23709	9.4
293.22705	3.0
295.24240	0.9
307.24265	1.0
311.23709	2.2
319.24191	1.0
321.25845	2.2
325.25372	0.9
329.24640	3.0
333.25681	1.0
335.27411	1.0
347.27252	2.2
360.28000	0.9
361.28824	2.8
365.28226	1.3
379.29941	0.9
403.33640	35.4
404.34140	1.6
421.34665	100.0
422.34836	4.5
439.29810	1.3
439.35751	19.6
440.35724	0.7
457.36890	1.2
509.27277	0.9
705.42285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01850	1.3
55.05509	4.9
57.03437	2.2
57.07080	38.6
59.05005	13.6
59.71305	1.3
67.05520	9.3
69.03435	3.6
69.07056	5.1
70.06580	1.5
71.08637	68.6
71.56042	1.8
73.06554	4.0
79.05503	6.3
81.03423	3.5
81.07085	6.3
83.04968	2.2
83.08622	2.6
85.09661	1.6
85.10187	39.2
87.04474	16.3
89.06037	100.0
91.05469	4.7
91.07568	1.2
93.07057	4.8
95.04985	1.8
95.08617	5.3
97.02912	1.6
97.06518	1.6
97.10178	2.1
99.04468	1.4
103.07582	5.2
105.07023	4.5
107.04958	1.9
107.07062	3.0
107.08585	4.3
109.06580	1.8
109.10162	1.7
111.04427	1.3
117.07060	2.7
117.09116	5.0
119.08591	2.2
119.16410	1.3
121.06547	1.2
121.10152	3.1
123.07992	1.4
127.03893	2.2
127.14805	4.3
130.08679	1.6
131.07051	4.8
131.08566	1.9
133.08611	76.7
133.10178	3.0
134.08997	1.4
135.11661	1.3
145.10161	2.1
157.10048	1.1
159.11697	1.7
161.11731	1.4
171.11679	1.5
175.09692	3.6
177.11240	26.5
185.19046	5.6
188.48080	1.1
201.32730	1.1
210.53818	1.1
219.12334	1.6
221.13875	3.9
229.21577	3.5
263.76874	1.3
269.54639	1.1
273.17935	1.2
275.20050	2.2
327.20309	1.8
503.30634	4.9
543.36438	3.5
621.93176	1.2
687.39899	2.0
704.40076	2.3
704.51801	3.4
705.41724	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50901	1.6
55.05506	5.5
57.03426	3.5
57.07078	100.0
57.34924	1.8
58.04211	7.2
59.04709	2.0
59.05005	38.7
60.04531	2.1
62.23923	2.1
67.05492	2.6
71.08635	67.9
71.56182	2.8
72.05774	10.7
73.02893	7.2
73.06563	12.8
81.07037	4.9
83.08624	3.2
85.10188	62.7
86.07315	3.4
87.04470	18.5
89.06042	21.0
90.01924	28.8
93.07059	2.7
95.08572	2.8
97.10175	3.6
99.11720	7.6
100.08841	2.3
101.06019	2.3
103.07569	10.0
109.10167	2.3
113.13277	2.3
115.07557	2.0
116.08302	3.4
117.09125	14.0
131.07019	2.7
133.08623	10.9
147.10117	4.7
155.17961	5.6
161.11647	2.4
165.11249	2.2
177.11183	5.8
178.07097	3.8
183.17436	2.1
208.15523	2.5
213.22162	11.0
222.09760	7.5
223.15300	2.7
238.16525	2.3
266.16876	2.2
266.19632	4.7
271.26309	5.2
296.20514	3.0
310.22156	5.4
326.21744	4.5
340.23212	4.8
356.23056	2.1
368.26428	2.3
376.34149	2.6
416.21393	2.9
420.36804	4.7
464.39401	7.0
508.42230	2.8
524.41040	2.0
552.44720	15.7
570.96234	2.0
596.47290	2.1
703.32709	3.1
708.44171	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	703.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.07073	1.5
57.54703	0.7
62.46260	0.7
67.05494	2.1
69.07059	1.0
70.45774	0.6
71.08639	1.3
79.05487	1.1
81.07066	2.5
83.08636	0.7
89.06050	1.0
91.05471	0.7
93.07066	1.5
95.08607	1.6
102.22792	0.7
105.07069	1.1
107.08604	0.8
112.69988	0.7
118.01476	0.7
119.08620	1.3
133.08614	0.7
147.04552	0.7
179.14499	0.8
211.55453	0.7
217.34114	0.6
220.10069	0.8
277.21719	0.8
427.19516	1.4
433.24176	0.9
439.16489	0.7
441.21097	1.2
445.20084	1.2
453.16989	0.8
454.18057	1.2
455.18091	1.5
457.24036	1.0
459.21960	4.6
460.22488	1.0
460.67972	0.7
461.23792	1.4
468.19351	0.9
469.20407	2.4
470.21036	2.4
471.21921	1.9
483.21753	14.7
484.22598	7.7
485.23352	4.4
497.23737	1.4
498.24283	1.0
499.24704	2.2
527.24396	1.2
543.24182	1.1
547.27277	2.9
552.46045	0.8
570.25946	1.5
571.26740	3.3
573.48645	1.4
574.49280	3.3
585.28668	1.0
587.26031	0.9
591.26324	0.9
591.49158	1.0
599.26929	0.8
601.27087	0.9
606.28076	3.5
630.28333	9.6
631.28711	4.3
643.32800	3.3
645.30884	1.2
659.29517	1.2
674.30377	0.7
685.33636	0.8
703.34906	100.0
704.35034	4.8
713.22247	0.8
718.75934	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05516	6.5
56.43383	0.4
57.03440	4.3
57.07080	42.0
61.02929	16.4
67.05509	13.2
69.03413	1.7
69.06726	0.7
69.07072	9.3
69.42165	0.7
69.42578	2.9
70.71075	0.4
71.05005	0.6
71.08635	37.4
73.02923	5.2
75.04485	2.3
79.05486	1.5
81.03391	1.2
81.07062	18.1
83.04993	0.5
83.08621	11.4
84.03550	0.4
85.02911	18.2
85.06542	0.6
85.10185	21.7
87.04458	0.5
89.06035	1.2
91.03408	0.8
91.03960	15.0
91.05472	0.6
93.07047	1.3
95.08611	28.0
97.02290	0.6
97.02893	8.7
97.06526	0.6
97.10178	11.6
99.04448	1.0
99.11704	1.7
103.03983	0.5
103.07617	0.4
107.08594	0.8
109.10159	14.3
111.11726	4.5
113.13309	0.6
115.03938	0.7
121.10175	0.5
123.11714	6.5
125.13261	0.8
127.03925	5.7
128.07121	0.4
137.13252	2.8
145.04973	6.9
151.14839	1.1
163.04715	0.8
163.06030	12.5
179.18054	0.5
207.20909	0.4
247.24292	0.4
249.25786	1.5
267.26846	23.5
268.27167	0.6
277.39810	0.4
285.27869	4.1
323.16275	0.4
326.30624	0.7
341.30511	100.0
342.30841	2.6
359.31567	28.0
360.31888	0.8
375.59659	0.4
503.35876	0.5
685.18005	0.5
700.44855	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61188	0.5
55.05516	2.6
57.03452	0.8
57.07080	100.0
59.05005	21.6
59.05233	0.5
60.83747	0.5
67.05502	1.4
69.07082	2.1
69.55148	2.2
69.55566	1.7
70.06575	0.7
71.08636	71.1
73.02939	0.6
73.06561	2.7
78.06095	0.6
79.05505	0.8
81.07069	1.4
83.08642	1.8
85.10188	59.8
87.04481	8.4
89.06038	63.0
89.14314	0.6
93.07063	0.7
95.08649	1.3
97.10194	2.2
99.11736	11.8
101.06019	0.8
101.09682	1.4
105.07079	0.6
107.07113	1.7
111.11767	0.8
113.13306	4.4
117.09156	5.4
119.08636	0.6
121.10149	0.8
130.08685	2.2
131.07082	2.8
133.08615	46.3
155.17957	9.4
171.75142	0.6
175.09717	2.3
177.11234	19.0
198.71477	0.6
213.22147	15.3
219.12334	0.9
219.17827	0.6
221.13922	4.0
239.15041	1.2
249.70232	0.6
254.24776	1.0
261.78751	0.6
265.16412	0.7
271.26257	5.2
283.17599	1.8
309.19498	0.7
327.20319	1.7
371.22934	1.4
397.24954	1.0
415.25360	10.7
455.28741	0.8
473.29718	1.0
503.30893	1.1
573.48242	0.7
616.11078	0.8
631.10376	0.7
702.45508	3.5
702.54694	2.4
703.47278	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05510	1.1
57.03430	0.8
57.83611	0.5
67.05518	3.4
69.07082	0.8
69.27044	1.9
69.27467	3.1
75.82334	0.6
79.05492	2.9
79.48704	0.5
81.03435	0.7
81.07063	3.2
83.08615	0.5
90.81928	0.5
91.05486	2.9
93.07047	3.2
95.04965	0.8
95.08619	2.9
98.20740	1.2
105.07027	2.5
107.08613	2.2
109.10183	0.5
117.07018	1.1
119.08605	1.9
121.10144	1.3
131.08589	0.6
133.10176	1.0
143.08563	0.6
145.10109	0.9
147.11800	0.8
148.76468	0.5
157.10063	0.5
171.11658	1.3
247.13097	1.2
259.08246	0.6
303.15747	0.8
333.20377	10.7
333.24213	0.8
389.23071	6.1
555.64801	0.6
613.36963	2.2
613.69312	0.6
699.44427	100.0
700.44934	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	699.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89106	0.2
60.34180	0.2
64.43290	0.2
67.05511	0.5
69.36523	1.5
69.36933	0.4
75.70289	0.2
77.21097	0.2
81.07043	0.3
83.31369	0.2
93.07062	0.3
95.08611	0.5
98.21501	0.5
98.34106	0.2
104.66689	0.3
150.59799	0.2
155.15071	0.2
181.65599	0.2
185.04260	0.5
203.05305	1.6
259.07956	1.2
302.13062	0.2
347.09485	1.2
360.16211	0.6
360.66330	0.5
365.10495	2.7
421.13159	0.8
537.30371	15.1
538.30524	0.7
661.95795	0.2
699.35614	100.0
700.35944	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	698.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74774	1.6
53.03946	1.9
54.26559	1.6
55.05261	2.2
55.05511	26.9
57.03452	8.8
57.07076	17.8
61.02931	22.3
63.06118	1.7
67.05173	3.0
67.05509	36.4
69.03424	3.5
69.07070	44.7
69.69606	9.2
71.05005	2.9
71.08636	12.0
71.98796	1.9
73.02905	7.8
75.04489	2.2
79.05503	17.5
81.07060	43.0
83.08625	37.6
85.02911	33.7
85.03425	1.8
85.06540	2.5
85.10216	3.8
87.04511	2.1
91.03958	31.2
91.05494	2.6
93.07047	23.4
93.69952	1.4
95.08614	43.8
96.56583	1.5
97.02908	16.6
97.06533	9.7
97.10176	21.2
97.12642	1.8
97.15327	1.4
99.08097	2.5
102.15070	1.6
103.14208	1.5
105.07041	2.0
105.63384	1.5
107.08589	18.0
109.02962	1.7
109.10160	23.8
111.08105	5.4
111.11723	8.9
119.89297	1.6
121.10149	38.5
123.11698	9.7
125.09673	2.7
127.03930	12.5
133.10243	1.6
135.11705	35.9
136.04790	1.6
137.13281	3.9
139.11252	3.9
140.02463	1.4
142.06252	1.5
145.04967	15.8
149.13278	14.6
151.14854	6.1
153.12747	1.9
163.06009	21.5
163.14851	4.4
164.41998	1.8
165.16399	3.8
177.16373	2.5
191.17949	2.5
227.19890	1.6
247.24236	36.9
265.25278	100.0
266.25546	2.1
283.26294	20.4
339.28952	89.0
340.29184	3.2
357.30005	54.1
599.99542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12069	1.3
53.03940	1.5
55.01858	2.3
55.05516	27.6
55.12158	1.3
57.03444	9.1
57.06877	1.5
57.07081	14.9
58.32719	1.5
61.02932	21.9
65.03943	1.6
67.05174	2.7
67.05511	36.8
68.30865	1.3
69.03424	3.2
69.07075	41.4
70.28343	1.9
70.28693	4.9
71.04980	3.2
71.08644	9.0
73.02924	7.3
75.04473	1.9
79.05498	15.8
81.07063	41.6
83.08148	1.7
83.08632	33.4
85.02907	25.6
85.06551	2.3
85.10188	5.1
91.03959	27.1
91.05482	3.8
93.07047	22.3
95.08616	42.0
97.02890	12.4
97.06539	8.8
97.10182	22.6
97.54512	1.7
99.04456	1.5
99.08059	1.5
100.95530	1.4
105.07024	1.6
107.08604	15.8
109.10169	20.9
111.08064	5.4
111.11747	8.2
113.09642	2.0
115.03897	1.7
115.43025	1.4
121.10158	39.2
123.11713	10.2
125.09624	2.8
127.03940	7.5
135.11699	29.5
136.06171	11.1
137.13252	3.3
139.11182	5.0
145.04950	10.5
149.13290	11.4
151.14825	7.4
153.12793	2.1
163.06033	18.8
163.14850	4.8
165.16391	4.4
171.13841	1.6
177.16400	3.9
191.17934	3.7
199.16974	2.0
247.24237	35.7
265.25290	89.2
266.25409	1.5
283.26318	17.4
299.37646	1.4
315.04529	1.5
339.28976	100.0
340.29184	2.8
357.30051	41.2
501.33804	2.4
555.87384	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
54.12019	0.1
55.01863	0.5
55.05496	0.5
57.03189	0.1
57.03440	1.6
57.33359	0.2
59.04991	0.3
61.02924	0.4
61.87598	0.1
66.01067	0.1
67.05491	0.4
68.99788	0.3
69.03430	6.3
69.03806	0.3
69.07066	0.3
70.06593	0.9
71.01363	0.2
71.04988	0.3
71.55342	0.1
72.08141	0.5
73.02914	0.4
79.05492	0.4
80.98675	0.1
81.03419	2.0
81.07037	0.6
83.04982	1.0
83.08631	0.1
83.78231	0.1
84.08140	0.3
85.02909	6.0
86.06080	0.2
86.09704	0.4
87.00826	1.0
87.04475	2.3
89.10807	0.2
91.05495	0.7
93.03396	0.1
93.07031	0.3
94.04202	0.1
95.04954	0.4
95.08609	0.4
97.02892	5.2
97.06509	0.2
99.04447	0.9
101.02333	0.2
103.03940	0.3
103.05476	0.3
105.01862	1.3
105.07043	0.3
107.04963	0.2
107.08592	0.4
109.02878	1.9
109.06506	0.2
109.10162	0.4
110.03679	0.7
111.04454	1.4
115.03156	0.2
115.03928	3.1
117.03440	0.2
117.06987	0.2
119.04935	0.3
119.08589	0.3
121.02902	0.2
121.06492	0.2
121.10110	0.3
122.06024	0.1
123.04411	0.3
124.01470	0.1
125.04492	0.1
125.06001	0.2
127.03924	3.6
128.07019	0.2
129.05493	1.0
129.06964	0.1
131.08580	0.2
133.04950	2.0
133.10153	0.3
135.04436	0.3
135.11613	0.2
136.07436	0.2
137.02339	1.5
137.05934	1.0
137.09573	0.2
139.03888	0.2
145.02849	0.3
145.04955	1.2
147.02849	0.2
147.04419	0.8
147.83652	0.1
149.05989	0.2
151.03896	0.3
153.01799	1.1
153.05440	0.4
159.02895	0.6
161.05978	0.2
163.03894	0.6
163.07571	0.1
165.01875	0.3
167.07031	0.4
171.02869	0.2
177.05513	0.8
181.04929	0.2
187.06000	0.3
189.03912	0.4
193.01274	0.3
193.04819	0.1
200.04692	0.6
203.03403	0.2
204.04169	0.6
211.14445	0.2
213.03932	0.6
215.05534	0.5
217.04997	0.2
228.04167	2.8
229.04951	1.2
231.02914	0.2
231.04935	0.9
241.04956	0.2
241.07108	0.2
245.04453	1.1
245.14919	0.2
246.05228	0.3
256.03711	0.7
257.04404	1.3
271.05981	0.2
273.03665	0.9
274.04715	5.0
285.03943	0.8
287.05609	0.2
301.03430	11.7
302.04208	53.3
303.04556	1.4
316.05954	0.2
317.06552	100.0
318.06909	2.6
323.09164	0.2
342.20181	0.4
345.08099	0.2
359.07693	0.6
479.11591	0.3
521.12933	0.3
565.11890	5.4
566.11816	0.2
697.16071	1.1
697.27173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
55.01878	0.2
55.05516	0.2
57.03442	0.7
66.01096	0.1
66.14714	0.1
68.99821	0.2
69.03432	2.7
70.06602	0.2
70.18791	0.3
70.19202	0.2
71.01354	0.1
71.05012	0.1
72.08163	0.1
73.02927	0.2
79.05502	0.2
81.03429	1.0
81.07093	0.1
83.04992	0.3
84.08141	0.1
85.02908	2.4
87.00848	0.5
87.04485	1.2
91.05506	0.1
92.02621	0.1
93.07053	0.1
95.04978	0.2
97.02905	2.4
99.04483	0.4
103.03915	0.1
105.01881	0.5
109.02898	0.9
109.10122	0.1
110.03663	0.7
111.04478	0.3
115.03940	1.3
121.02911	0.1
123.04501	0.1
126.03217	0.1
127.03930	1.7
129.01884	0.1
129.05544	0.3
133.04974	0.9
135.04430	0.1
136.07608	0.1
137.02338	1.7
137.03348	0.1
137.06010	0.3
141.88263	0.1
145.04959	0.5
145.10150	0.1
147.02910	0.1
147.04471	0.3
150.03136	0.2
151.03940	0.2
153.01851	1.3
153.05481	0.1
159.02927	0.4
161.06038	0.2
163.03964	0.2
165.01874	0.3
167.07054	0.2
169.05113	0.1
171.02957	0.1
177.05484	0.3
192.75320	0.1
193.01366	0.4
200.04666	0.7
203.03362	0.1
204.04251	0.5
205.04962	0.2
213.03934	0.2
217.05067	0.2
218.05869	0.2
220.31302	0.1
223.06310	0.1
225.53728	0.1
228.04199	2.4
229.04950	1.2
231.02968	0.1
231.05035	0.5
245.04436	1.0
246.05252	0.3
249.05908	0.1
256.03683	0.6
257.04453	1.5
271.06042	0.1
273.03882	0.9
274.04733	4.2
285.03961	1.0
301.03452	10.4
302.04224	47.8
303.04593	1.2
313.07297	0.2
316.05701	0.1
317.06567	100.0
318.06940	2.8
339.13281	0.2
359.07648	0.6
367.12894	0.1
385.13217	0.2
451.14182	0.1
479.11676	0.7
508.20532	0.3
521.12805	0.1
540.23376	0.3
547.10358	0.2
565.11932	3.6
566.12115	0.1
611.15137	0.1
624.14673	0.1
664.42877	0.1
697.15405	0.4
712.40894	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	696.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01868	1.6
55.05513	19.0
57.03440	6.5
57.07079	9.0
59.04993	0.6
61.02929	29.4
65.03930	2.3
66.31893	0.6
67.05506	78.4
68.25127	0.6
69.03432	4.4
69.07071	26.8
69.12919	0.6
69.24406	2.1
69.24828	4.5
71.04993	2.5
71.08636	5.3
72.32340	0.6
73.02924	9.4
73.10347	0.7
75.04494	0.8
79.05497	20.3
81.03423	2.0
81.07059	92.5
82.07393	0.7
83.04987	3.0
83.08619	22.6
83.09117	1.1
85.02907	32.2
85.06541	3.2
85.10178	2.3
91.03959	23.9
91.05479	17.9
93.07047	26.7
93.59118	0.6
95.04967	2.5
95.08609	86.8
97.02897	15.2
97.06528	7.5
97.10168	13.6
99.04448	2.1
99.08096	3.8
103.03983	0.6
105.07039	12.5
107.08598	18.6
109.02871	1.3
109.06525	0.8
109.10159	42.9
111.08090	4.5
111.11711	2.9
113.09642	2.1
115.03930	1.5
117.05521	0.9
117.07055	0.7
119.08582	14.6
121.10148	22.2
123.08035	1.3
123.11716	19.6
125.09619	2.5
125.13266	1.5
127.03069	1.0
127.03923	10.9
127.11178	1.8
129.05440	0.9
131.08556	0.8
133.10135	16.7
135.11697	14.7
137.09627	2.1
137.13257	7.1
139.11189	1.4
139.14696	0.8
141.12755	3.0
145.04956	13.2
145.10178	0.6
146.15012	0.7
147.11697	12.6
149.13258	11.6
151.11133	1.2
151.14832	6.8
153.12730	1.3
155.14313	3.1
161.11963	1.1
161.13266	15.9
163.06020	18.5
163.14832	10.6
165.12761	1.4
165.16406	8.2
167.14265	1.5
175.14833	13.4
177.16393	3.3
179.14310	1.5
179.17984	7.7
179.48012	0.6
181.15884	1.5
182.48845	0.7
189.16368	4.0
193.15854	1.5
203.17946	2.0
207.17378	0.9
217.19527	1.5
225.18620	0.6
245.22658	62.9
246.23012	1.9
263.23706	100.0
264.24036	2.4
265.25229	2.5
281.24725	2.2
299.66010	0.7
337.27377	64.7
338.27606	2.0
355.28406	14.1
449.44781	0.6
456.93387	0.6
481.31619	0.7
499.32687	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	696.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81453	0.4
55.05521	3.5
55.76622	0.5
56.05021	0.5
57.03431	1.1
57.07068	1.8
57.13939	0.5
59.04995	0.6
61.02922	0.7
65.03936	1.1
67.05511	9.3
69.03419	2.2
69.07073	7.3
70.06583	1.7
71.04977	0.5
71.44282	0.6
72.08139	1.2
72.23080	0.4
76.05213	0.5
79.05478	2.6
81.03408	1.5
81.07070	7.8
83.04990	1.1
83.08616	1.6
84.04516	0.9
84.08155	1.1
85.02900	1.7
85.06537	1.2
86.09719	0.6
87.00803	0.7
91.05481	6.8
93.07046	5.1
95.04973	1.2
95.08616	17.3
97.02902	29.5
97.06532	1.5
97.10194	0.6
103.05467	0.7
105.07043	13.5
106.02908	2.1
107.04964	0.7
107.08598	6.2
109.02892	1.2
109.10168	23.8
111.04469	0.6
116.07205	0.6
117.07007	1.7
118.07845	0.7
119.04910	0.7
119.08591	45.9
120.08853	0.9
121.10155	3.4
123.08059	0.7
123.11721	1.4
124.03943	3.3
127.03922	1.2
128.07092	0.7
131.04944	0.6
131.08569	2.5
133.10139	55.7
135.11699	10.4
137.05983	1.2
137.09636	9.1
137.10649	0.3
145.02896	0.8
145.10126	3.6
147.04408	1.9
147.11700	12.2
149.05997	0.7
149.09668	0.6
149.13261	3.6
151.14859	4.3
153.05498	1.5
159.11716	1.1
160.12473	3.1
163.03891	1.3
167.07085	0.9
173.13223	1.2
175.14838	100.0
176.15192	1.6
176.80957	0.6
177.05486	1.4
193.15897	18.8
204.10211	0.5
220.06050	5.7
238.07088	4.4
254.06702	1.0
256.08170	1.8
266.94275	0.5
273.22238	0.6
300.83585	0.5
319.22717	2.1
372.15247	1.2
442.13742	0.7
468.11292	1.7
486.12479	11.6
504.13300	2.4
696.37073	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	695.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
55.05530	0.2
60.40910	0.1
67.05530	0.4
68.99824	0.3
69.03433	0.7
69.07058	0.2
69.25277	0.7
69.25708	0.6
70.06594	2.4
70.06949	0.2
71.06933	0.2
72.08178	0.5
79.05537	0.3
81.03407	0.3
81.07081	0.4
82.06593	0.3
84.08167	0.5
85.02901	0.7
86.09756	0.1
87.00829	0.2
87.04501	0.1
90.29992	0.2
91.05496	0.2
93.07080	0.3
94.06596	0.1
95.05013	0.4
95.08643	0.3
97.02886	0.9
97.06561	0.1
99.04486	0.1
100.07645	0.1
103.05479	0.1
105.07041	0.2
107.04979	0.3
107.08634	0.2
109.02918	0.4
109.10168	0.1
111.04454	0.3
112.07628	0.3
116.80827	0.1
119.04978	0.3
119.08608	0.1
121.06493	0.2
122.08084	0.1
123.00837	0.4
123.04488	0.2
125.05981	0.2
127.03936	0.4
128.07080	2.0
129.07408	0.2
134.03658	0.9
135.04495	0.2
136.07590	0.2
137.02339	0.2
137.05991	0.9
138.06335	0.2
139.03935	0.2
139.05461	0.3
140.07176	0.1
144.05774	0.2
145.02875	0.3
145.06538	0.2
145.50345	0.1
147.04434	0.9
148.05127	0.2
149.05971	0.2
151.03889	0.2
152.01071	0.7
153.05476	0.4
155.04962	0.2
155.08458	0.1
161.06023	0.2
162.42790	0.1
163.03934	0.4
163.07573	0.2
166.02682	0.3
167.03424	3.8
167.04909	0.4
167.07086	0.5
169.01395	0.3
172.04031	0.2
175.03955	0.5
177.05473	0.3
183.08031	0.4
183.37050	0.1
184.03685	2.9
184.05116	0.3
185.05975	0.2
187.07462	0.2
191.07140	0.2
195.04510	0.3
199.07607	0.3
199.16898	0.1
201.05559	0.5
204.06606	0.2
211.03932	0.2
211.07672	0.5
212.04727	0.9
213.05464	0.3
215.07002	0.3
216.07881	0.7
223.04051	0.1
227.07022	0.6
229.05009	1.3
229.08521	1.0
239.03394	0.3
239.07147	0.3
240.04198	1.6
242.05804	0.2
243.06540	2.8
244.07332	2.0
253.04994	0.4
255.06520	3.0
256.07153	0.2
257.04477	0.4
259.09668	1.1
267.02917	0.5
268.03683	1.6
269.04437	0.2
270.05234	0.4
271.05988	0.8
271.10901	0.1
272.06763	1.3
283.06042	3.7
285.04074	0.7
285.07578	11.2
286.04608	0.3
286.08102	0.3
287.09146	0.2
294.18732	0.2
299.05460	3.2
300.06290	19.8
301.06601	0.5
303.04950	0.5
313.11798	0.4
315.08615	100.0
316.08994	2.7
316.12372	0.1
333.14322	1.0
341.11121	0.2
351.15277	0.2
373.13797	0.9
533.12909	1.9
549.20276	0.2
637.17944	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	694.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.9
55.01874	6.8
55.05517	36.5
57.03439	33.3
65.03971	5.0
67.05508	82.1
69.03417	4.9
69.07071	31.2
71.04991	9.5
79.05499	79.1
81.03416	5.8
81.07062	79.2
83.04989	7.8
83.08624	18.2
85.06557	10.5
91.05489	100.0
93.07048	83.2
95.04970	19.0
95.08613	51.4
97.06530	14.2
97.10165	16.7
99.08102	8.7
103.05478	6.9
105.07036	86.6
107.04942	9.0
107.08608	51.9
109.06532	16.9
109.10161	26.4
111.08087	10.6
113.05966	3.4
115.05478	7.6
117.07024	47.9
119.08588	60.6
121.10155	19.9
123.08065	5.1
125.09624	14.6
128.06252	13.3
129.07013	35.3
130.07800	4.2
131.08569	53.1
133.06621	2.4
133.10126	32.1
135.08037	8.8
135.11713	14.1
135.12599	2.6
137.09636	6.5
141.06999	13.2
142.07785	9.3
143.04063	2.6
143.08585	32.2
144.09372	3.4
145.10130	46.3
147.08041	4.0
147.11703	21.3
149.09650	10.8
149.13234	4.1
151.11203	3.1
155.08571	23.9
157.10135	28.5
159.07977	3.1
159.11697	34.4
161.09625	6.5
161.13301	11.8
163.11229	8.9
165.06975	2.7
167.08534	7.4
168.09309	4.8
169.10138	23.7
171.11674	18.8
173.09575	3.8
173.11861	4.9
173.13220	18.6
175.11250	3.6
175.14818	4.8
177.12639	2.9
179.08516	4.7
181.10127	8.7
181.56125	2.4
182.11021	4.0
183.11674	18.3
185.13284	33.1
187.11194	4.1
187.14857	6.3
189.11246	4.4
189.12796	3.5
190.16856	2.9
191.14365	4.4
193.10170	7.2
195.11752	11.2
197.13248	10.9
199.14876	7.5
200.81369	3.2
200.83260	2.7
201.16325	5.5
203.14304	12.9
205.10240	3.4
205.59729	2.6
209.13300	11.2
209.15091	2.9
211.14920	3.7
217.16034	3.9
219.11674	3.3
219.17627	3.7
221.13284	3.8
221.15408	4.6
223.14815	4.9
225.16699	2.6
227.12637	13.7
229.19478	3.4
235.14825	4.6
239.18018	10.1
255.17552	3.4
257.19046	18.3
259.20654	4.4
264.33698	2.8
271.06244	3.8
273.18579	9.5
275.20105	38.9
291.19583	6.0
297.18384	2.8
300.64154	2.5
309.22159	3.2
313.21509	2.7
349.23691	27.9
367.26221	2.9
459.32059	3.7
513.37543	4.1
517.76294	2.9
527.37207	5.4
531.38104	4.2
543.36475	7.2
549.39099	3.4
551.37415	7.2
555.36932	4.4
569.38898	3.6
605.41510	6.1
623.42804	12.9
641.43896	6.5
676.19043	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	694.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.01865	7.8
55.05516	43.7
57.03431	18.0
57.07075	5.3
65.03955	5.7
66.71909	4.5
67.05174	6.3
67.05508	97.4
69.03424	5.2
69.07072	44.0
69.79218	14.2
69.79630	7.2
71.04974	4.6
71.08605	3.9
75.87185	4.5
79.05497	88.3
81.03421	8.8
81.07063	100.0
83.04973	14.4
83.08628	21.6
85.06564	6.8
91.05482	90.3
93.07049	90.0
95.04976	15.9
95.08608	59.9
97.06553	18.5
97.10170	12.1
99.08095	5.6
103.03962	3.8
103.05468	4.8
105.07032	73.6
105.07690	6.8
107.04964	10.9
107.08609	59.2
109.06522	12.0
109.10159	20.8
111.08078	11.7
116.07063	6.7
117.07024	42.2
119.08592	57.2
119.74059	3.9
121.06511	4.5
121.10196	25.8
123.08095	7.6
125.09630	14.6
128.06229	5.7
129.07018	25.0
131.08580	42.6
133.10152	29.2
135.08049	7.9
135.11662	18.1
137.09651	7.9
141.06990	7.6
142.07724	5.0
143.08554	24.6
144.09425	4.5
145.10130	40.7
147.08015	5.7
147.11697	26.8
149.09604	16.8
149.13261	11.4
151.11186	5.0
155.08502	18.2
157.10126	18.7
159.08127	4.1
159.11705	40.3
161.13283	14.0
163.11232	7.7
165.12747	5.2
165.30928	4.1
167.08586	6.6
169.10153	7.9
171.11681	14.3
173.13292	16.2
175.14940	5.8
177.12822	6.0
180.14522	3.6
181.12315	5.7
183.11707	12.2
185.13322	25.6
187.14781	7.5
189.11328	8.1
195.13751	4.8
196.19325	3.8
197.13260	6.2
199.14755	3.8
201.16435	5.4
203.14333	11.8
209.13275	6.6
217.35934	3.7
223.14931	4.9
227.12830	12.3
229.19559	4.2
235.14699	4.0
239.17966	10.6
246.12569	4.4
255.15906	11.2
257.19028	32.0
258.23108	4.1
269.17505	16.5
273.18933	4.7
275.20059	56.3
277.18307	5.4
281.49878	3.9
283.24261	4.6
306.25095	4.1
331.22861	10.0
349.23700	31.0
424.68219	4.5
543.36768	20.6
623.43195	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	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.7
55.01859	7.0
55.05514	31.4
57.03445	40.4
57.07072	7.3
61.02928	53.5
65.03946	5.6
67.05507	100.0
69.03437	29.7
69.07075	26.4
69.84382	12.3
69.84805	7.0
70.06550	3.5
70.89082	3.3
71.01333	4.8
71.04996	9.8
73.02911	22.8
73.95081	2.9
75.04486	26.8
79.05493	74.8
81.03423	38.6
81.06583	5.0
81.07061	100.0
83.04977	14.2
83.08620	16.7
85.02908	89.4
85.06564	4.7
91.03960	56.7
91.05482	71.4
93.05524	79.4
93.07049	96.4
95.04978	20.4
95.08611	69.2
97.02893	43.9
97.06531	10.9
97.10181	8.7
99.04465	11.5
99.08101	3.8
103.03932	9.7
103.05471	3.1
103.34315	3.2
105.07033	61.6
107.04967	7.6
107.08607	54.2
109.02892	9.8
109.06489	5.9
109.10159	31.8
111.04448	14.4
111.08071	5.9
115.03968	3.5
115.05428	4.7
116.69575	3.8
117.07031	42.0
119.05017	3.9
119.08576	52.4
121.06549	9.9
121.10159	46.5
123.04401	5.8
123.08051	9.4
123.11721	11.4
125.09686	5.8
127.03928	30.1
128.06230	4.3
129.05492	10.1
129.07022	19.7
131.04939	3.6
131.08574	49.2
133.06525	7.0
133.10143	40.7
135.08069	6.7
135.11697	26.9
137.09563	4.3
137.13235	4.4
141.06984	6.8
143.08575	22.3
145.04979	29.4
145.06520	5.1
145.10144	46.9
147.08035	7.1
147.11720	30.2
149.09575	8.0
149.13269	13.8
155.08537	15.1
157.06514	5.8
157.10104	17.7
159.08119	5.9
159.11719	36.3
161.09605	6.1
161.13278	14.4
163.06038	73.6
163.14819	5.0
167.08571	6.6
169.10121	11.9
171.08028	7.2
171.11743	16.0
173.09639	5.3
173.11876	5.5
173.13232	25.2
175.11240	4.4
175.14841	4.5
177.12752	3.6
183.11693	12.5
185.09673	5.2
185.13289	15.0
187.11182	5.3
187.14857	10.9
191.14333	3.5
195.11728	5.1
195.13666	3.4
197.13216	5.1
199.11162	5.1
199.14879	8.0
213.12688	6.6
217.12318	4.0
227.14452	4.0
231.13847	3.6
233.15306	4.8
235.13304	5.4
235.17023	3.2
241.19572	3.4
243.21173	7.9
249.14658	3.9
253.14278	3.9
255.10744	13.7
259.20569	10.3
261.22202	23.6
271.20911	5.0
273.22043	6.1
277.14413	3.8
277.21759	9.7
285.18796	4.6
285.21893	5.9
289.21783	9.8
291.23175	9.7
301.21622	9.6
303.23230	23.1
313.21680	5.0
315.23193	9.3
319.22678	8.2
323.23444	3.5
327.23044	11.9
331.22586	6.2
341.24713	13.3
345.24326	8.0
351.23141	21.5
353.26691	3.8
359.25702	4.5
369.24295	65.6
387.25339	57.4
405.26392	79.1
423.27509	32.0
567.31818	5.4
612.12238	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	694.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72750	7.5
64.12165	6.9
71.41220	14.5
102.08344	6.8
113.28555	9.3
139.20207	8.4
145.82919	9.0
217.94392	6.9
278.54355	8.6
475.21478	18.0
535.23108	8.4
591.66559	8.3
605.23120	10.2
606.27917	27.7
609.26514	17.4
621.26532	9.0
622.27942	100.0
637.26227	20.5
638.26941	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	693.2388
Annotation	Cuhuoside
Peak:m/z	Relative Intensity
53.03912	0.2
55.05486	0.3
59.04984	0.3
61.02894	0.2
61.19178	0.2
67.05482	0.3
68.87909	0.2
69.03389	0.7
69.07040	0.4
69.96052	0.8
70.06596	1.0
71.04971	0.3
72.08127	0.3
79.05470	0.3
81.03376	0.6
81.07023	0.5
83.08571	0.2
84.08095	0.4
85.02911	1.3
86.09678	0.2
91.05459	0.5
93.07008	0.5
95.04940	0.3
95.08562	0.6
97.02900	1.1
97.06506	0.4
99.04434	0.2
105.07034	0.4
107.04932	0.2
107.08546	0.3
109.02836	0.3
109.10155	0.4
113.06010	0.1
119.04964	0.2
119.08552	0.4
121.10162	0.2
123.11735	0.2
125.09632	0.2
127.03860	0.5
128.07066	0.2
131.04958	0.2
131.08557	0.2
133.10088	0.4
134.03618	0.9
135.11707	0.2
137.05983	0.2
143.08641	0.2
145.04906	0.2
145.10091	0.4
147.04350	0.5
147.11609	0.2
151.07521	0.3
153.01826	0.2
153.05415	0.5
153.06621	0.2
159.11694	0.2
161.05934	0.2
161.09587	0.2
161.13229	0.2
163.03975	0.3
163.11148	0.2
165.01839	0.6
167.07068	0.3
177.05476	0.3
183.02911	0.4
213.05472	0.2
214.06293	0.2
241.04874	1.3
242.05766	0.6
269.04578	0.2
270.05225	2.2
281.04425	0.3
284.06805	0.2
285.07486	0.4
297.03958	0.4
297.07318	0.2
298.04724	30.6
299.05051	0.7
299.09155	0.7
301.07056	1.1
313.07050	100.0
314.07355	2.0
333.11127	0.2
351.12305	2.0
367.11722	0.2
369.13342	34.6
370.13727	0.9
378.26624	0.2
531.18701	0.4
693.25049	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
55.05512	12.5
57.03442	9.1
57.51721	1.5
59.05000	1.7
61.02922	4.4
63.56997	1.7
64.86292	1.8
67.05177	2.1
67.05509	32.8
69.03441	3.5
69.07066	15.1
69.50274	6.1
69.50696	5.7
71.04984	5.3
79.05500	23.4
81.03403	8.4
81.07062	75.8
83.04984	10.1
83.08609	8.8
85.02913	4.7
85.06534	5.4
91.03979	2.0
91.05490	22.8
93.07044	17.6
95.04976	5.4
95.08618	17.4
97.02888	6.9
97.06544	7.9
99.04442	2.8
99.08105	4.9
105.07034	31.4
107.04965	4.7
107.08611	14.5
109.02814	1.9
109.06542	4.1
109.10167	6.0
111.08070	2.7
117.07007	2.8
119.08586	29.7
121.06508	2.3
121.10143	23.4
123.08089	5.2
123.11717	23.8
125.09634	3.5
127.03924	3.2
127.07588	3.8
129.06984	3.1
131.08565	6.2
133.10109	5.0
135.08020	2.4
135.11690	5.4
137.09634	2.0
145.10143	6.2
147.11697	60.4
149.13309	3.4
151.11203	2.5
157.10132	2.9
159.11571	1.6
163.11188	4.4
165.12756	25.7
173.09625	2.5
175.11191	3.2
177.12892	1.6
190.28691	1.5
191.10634	2.2
193.12299	2.2
209.11684	2.6
227.12773	2.3
229.14470	9.7
235.10136	1.7
267.15936	74.0
268.16333	1.7
269.17432	4.9
283.15521	4.1
285.16986	100.0
301.16553	2.8
423.28250	1.7
449.28821	2.0
459.27228	6.7
477.28488	28.8
495.29532	90.1
496.29654	4.1
522.25824	1.7
573.19690	1.7
621.32556	8.0
639.33557	4.2
692.26080	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	692.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59906	0.8
55.05510	1.3
55.15702	0.9
57.07087	1.1
67.05499	2.8
69.07067	1.2
70.06590	2.4
71.08630	1.0
71.56082	1.2
75.60050	1.1
81.07060	3.1
83.08630	1.3
91.05513	1.3
93.04163	0.8
93.07059	0.9
95.08610	2.4
105.07038	1.4
107.08615	1.1
109.10187	2.6
116.07114	3.0
119.08598	1.4
123.11720	1.2
133.10150	1.1
145.10162	1.0
183.79347	0.9
431.17484	1.2
432.18063	5.9
445.19205	2.0
446.19440	11.4
447.20804	4.2
460.21384	16.7
461.22037	9.4
463.85318	1.0
473.22324	1.6
474.22855	6.4
475.23663	3.0
486.26709	2.2
487.79068	1.0
488.24561	8.3
489.25443	1.3
502.26126	1.8
503.26895	14.0
516.24030	4.7
518.29163	5.5
521.38611	1.5
530.25244	1.2
531.26440	12.6
532.27094	5.1
546.28687	23.3
547.28430	2.1
548.27026	1.0
562.27863	3.4
590.31281	3.3
603.28546	1.1
604.29114	8.6
605.33667	7.3
618.30725	16.8
632.32538	1.9
633.33105	68.1
634.33337	4.8
692.34430	100.0
693.35052	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	691.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.7
53.89688	0.4
55.05515	1.5
56.79197	0.4
57.03436	1.6
59.05010	0.5
61.02930	6.0
65.52423	0.4
67.05168	0.7
67.05504	7.7
69.03428	3.6
69.07075	1.1
71.01366	0.5
71.05005	0.9
71.56362	0.5
72.91971	0.4
73.02921	4.4
75.90763	0.4
79.05494	3.1
81.03429	1.5
81.07056	5.2
83.08636	0.9
85.02914	4.8
87.04477	0.5
91.03954	3.8
91.05482	2.6
93.07045	3.2
95.04948	0.5
95.08604	3.3
97.02901	5.4
97.06546	0.4
97.10170	0.7
99.04465	0.8
101.02399	1.7
103.03929	0.5
105.07055	1.4
107.05003	0.3
107.08588	2.0
109.02893	0.8
109.06492	0.3
109.10165	4.6
110.76315	0.3
115.03951	0.4
117.07059	0.5
119.08616	1.1
121.10175	1.6
123.11710	0.3
127.03933	1.6
131.08601	1.2
133.10150	1.0
135.11743	0.8
136.21701	0.4
140.36601	0.4
143.08650	0.4
143.98575	0.4
145.05055	0.4
145.10172	1.0
147.11736	0.5
149.13298	0.6
155.10701	0.7
159.11679	0.4
159.79984	0.4
161.13208	0.5
173.11780	1.2
173.13213	0.3
185.04248	0.6
195.10019	0.5
229.14465	0.7
243.08478	1.6
291.19641	1.0
335.25815	0.6
413.17874	4.6
519.29358	8.5
522.68994	0.4
529.38757	0.9
559.99414	0.4
593.83997	0.4
691.40265	100.0
692.40656	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	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09780	0.5
52.54420	0.4
54.86666	0.5
55.01880	0.8
55.05511	1.7
57.03448	3.0
61.02936	5.4
65.10608	0.5
67.05169	0.9
67.05510	12.2
69.03435	4.8
69.07066	2.5
69.39270	1.3
69.39674	2.9
70.06595	1.1
71.01334	0.5
71.04980	1.3
73.02918	3.9
75.34283	0.5
79.05494	4.0
81.03422	2.8
81.07061	6.6
83.05013	0.8
83.08619	1.5
84.24735	0.5
85.02911	5.1
87.04428	0.5
91.03960	3.5
91.05475	3.0
93.07057	4.3
93.90871	0.5
95.04966	1.1
95.08606	3.9
97.02901	4.9
97.06516	0.6
97.10217	0.6
99.04488	1.2
101.02394	2.6
105.07050	2.0
107.08616	2.3
109.02879	1.2
109.10161	9.1
110.67286	0.5
116.07115	0.9
117.07027	1.1
119.08572	2.8
121.10160	1.3
127.03942	1.6
129.06934	0.5
131.08568	1.2
133.10115	1.2
135.11716	1.5
143.08633	0.5
145.04897	0.6
145.10146	0.8
147.11617	0.8
155.10635	0.5
169.88669	0.5
173.11807	1.7
175.59892	0.5
179.70377	0.5
185.04211	0.7
195.09952	0.9
203.05284	0.6
229.14439	1.1
243.08476	1.9
291.19504	1.5
335.25909	1.0
386.05490	0.6
413.17752	10.1
413.23065	0.7
414.17987	0.6
483.04233	0.5
519.29401	5.8
529.39160	0.6
691.40271	100.0
692.40784	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	691.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.6
53.39862	3.8
55.01867	13.1
55.05513	33.0
56.34529	3.6
57.03442	25.2
57.07074	3.6
59.05000	4.0
61.02928	50.9
62.03686	3.0
65.03935	5.8
67.05173	5.4
67.05511	78.8
69.03432	36.7
69.07071	33.7
70.06577	11.5
71.04989	13.8
72.08134	6.9
73.02921	18.1
79.05495	54.2
81.03421	37.8
81.06582	5.4
81.07062	100.0
83.04994	19.5
83.08620	24.1
85.02432	4.4
85.02912	64.9
85.06552	6.2
87.00830	5.7
91.03959	28.4
91.05489	48.8
93.07047	54.1
95.04964	16.6
95.08606	40.2
97.02898	56.2
97.06538	23.8
97.10152	16.8
99.04469	14.7
99.08075	4.9
103.03976	4.0
105.07032	52.2
107.04945	13.0
107.08601	62.7
107.52242	3.1
109.02872	19.6
109.06534	13.7
109.10168	41.9
110.10577	4.0
111.04421	6.2
111.08069	9.0
115.05440	4.3
117.07016	15.4
119.04939	4.1
119.08584	38.8
121.06483	11.3
121.10161	30.2
123.08080	9.8
123.11719	11.5
125.06009	7.3
125.09644	12.9
127.03935	31.2
129.07007	6.0
131.04924	5.9
131.08574	28.7
133.06503	4.0
133.10123	39.1
135.08104	8.0
135.11694	11.3
137.05992	5.7
137.09598	7.4
139.07503	4.0
143.08516	4.8
145.04980	10.8
145.10146	25.4
147.04416	8.2
147.08095	4.6
147.11700	20.0
149.02333	23.4
149.09552	20.6
149.13254	17.6
151.07550	6.9
151.09941	3.4
151.11162	10.0
153.05486	8.5
157.10161	11.8
159.07880	3.5
159.11688	30.9
161.09692	4.6
161.13252	8.2
163.03911	7.9
163.11224	6.2
165.09134	11.3
171.10217	3.7
173.11835	5.6
173.13281	11.5
175.11229	3.6
175.14771	3.9
177.05374	4.2
177.09262	4.3
177.12766	9.4
179.14336	5.6
183.06477	5.3
183.08008	3.7
185.09705	3.4
187.11150	4.6
187.13376	4.8
189.11197	9.6
189.12787	6.3
193.12349	6.4
193.14145	3.1
195.13734	8.3
197.07974	4.5
205.08624	6.9
207.13821	5.6
213.14821	6.0
227.12801	14.1
229.14436	16.9
233.15475	4.0
233.94145	3.5
239.17938	5.3
245.13811	5.7
247.20581	4.1
255.15813	4.5
257.19025	11.3
267.15851	4.1
269.17480	69.8
271.15335	6.1
275.20099	51.1
293.21341	5.9
349.23767	86.4
367.24869	36.9
391.24719	8.6
395.20551	4.7
413.21698	12.7
443.28183	4.1
475.26620	5.0
493.27570	5.5
511.28647	11.7
529.30054	4.2
691.19989	5.2
691.41644	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	690.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.42599	0.9
55.05515	14.3
57.03445	10.6
57.07075	6.2
57.52015	0.8
59.04993	2.8
61.02925	4.0
65.03954	1.4
67.05508	76.2
68.05823	0.9
69.03442	1.5
69.06727	1.4
69.07074	20.8
71.04987	3.2
71.08627	3.4
72.25014	0.8
73.02933	1.1
79.05499	4.8
81.03409	1.3
81.07059	21.9
83.04973	1.1
83.08623	17.7
83.39024	0.8
85.02886	3.6
85.06548	1.9
85.10142	1.3
91.03941	1.7
91.05479	5.3
93.07036	10.4
95.04953	2.0
95.08616	17.0
97.02901	2.1
97.06535	1.2
97.10172	7.3
98.09705	2.4
98.21568	1.3
99.08073	1.0
105.07042	2.0
107.08595	6.7
109.10164	66.9
111.08083	3.9
111.11730	1.6
119.08566	4.3
121.10164	7.7
123.11725	1.7
127.11142	1.0
135.11710	4.2
137.09605	2.0
139.11172	1.0
143.33977	0.8
149.13237	1.8
153.06940	0.9
155.10666	5.8
163.11099	1.2
163.14839	1.2
173.11749	19.7
196.07289	1.9
211.13255	1.4
229.14365	100.0
230.14642	1.5
265.25259	2.1
339.28961	73.7
340.29321	2.4
394.38559	0.8
493.38901	56.2
494.38904	2.6
690.42371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.2
54.97894	8.3
55.01863	9.1
55.05513	40.1
57.02524	7.1
57.03435	14.7
57.07079	12.4
64.73657	7.4
67.05508	88.6
69.07066	17.3
69.37194	9.2
69.37524	68.3
79.05495	65.9
81.03421	9.8
81.07060	87.6
83.04967	13.0
83.08610	30.0
89.46408	7.1
91.05486	78.5
93.07048	77.9
95.04919	8.9
95.08599	59.0
97.10135	13.4
98.21326	27.3
105.07045	66.2
107.08589	55.5
109.10155	32.7
117.07003	29.3
119.08593	57.3
119.60961	8.8
121.10157	40.5
129.07022	22.5
131.08563	28.6
133.10124	50.0
135.11729	16.5
143.08598	26.8
145.10118	44.5
147.11708	35.1
155.08511	16.6
157.10117	21.2
159.11713	24.4
161.13332	8.3
169.10162	13.0
171.11682	26.9
173.13283	14.9
183.11752	13.2
185.13263	13.7
195.11758	9.5
197.13306	14.3
209.13272	16.1
253.14668	8.1
257.18988	12.5
259.20685	16.7
261.22141	13.7
333.24115	21.7
335.25827	12.9
375.55615	8.1
414.50952	7.8
458.20624	9.2
473.22949	9.3
493.38882	9.5
517.40649	10.0
529.38824	14.9
533.24762	8.9
609.45203	100.0
630.30133	18.5
690.32281	22.8
691.32654	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	690.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.7
57.07072	2.8
59.04988	2.6
62.99635	1.0
67.05503	4.1
69.07075	2.2
70.06595	2.3
71.08638	2.4
79.05495	2.2
81.07062	3.7
85.06520	1.1
85.10176	2.4
87.04471	1.6
91.05485	3.5
93.07062	2.2
95.04967	1.6
95.08598	2.6
105.07018	1.8
107.08602	1.8
109.10149	1.6
112.07632	1.2
119.08562	1.9
133.10139	2.7
223.13136	2.0
253.14348	4.5
273.18579	1.5
291.19528	6.7
306.88409	1.2
365.23218	2.5
387.15582	1.1
390.25824	1.2
401.17603	2.2
402.18616	1.4
403.19498	1.4
415.19324	5.6
416.20190	8.6
417.20712	4.9
419.22430	1.4
429.20779	4.3
430.21719	6.4
431.22726	6.3
433.23883	4.0
443.18604	2.1
444.18475	2.2
444.23694	2.8
444.97366	1.2
445.24594	11.4
447.25830	1.8
457.19955	1.5
458.20889	2.2
459.20917	5.3
460.22366	4.1
461.22437	5.5
472.22516	1.8
473.23312	32.6
474.24036	6.6
475.24887	3.1
481.54755	1.4
487.24658	4.9
489.26529	4.0
501.23273	2.2
515.24408	12.7
517.25989	12.4
533.25482	14.9
570.32245	2.7
586.31573	12.5
602.31421	2.3
614.30933	1.5
630.30731	100.0
631.31061	5.3
640.29095	3.3
658.30206	41.6
659.29663	2.2
690.32458	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	689.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
52.30916	1.9
53.03955	13.6
54.85436	1.9
55.01854	6.7
55.05515	27.4
57.03442	12.4
57.07067	6.7
61.02913	9.8
65.03932	5.3
67.05511	72.5
69.03435	27.6
69.07070	25.9
69.34669	9.7
69.35088	7.7
71.01360	2.2
71.05002	10.8
73.02914	8.4
79.05070	2.8
79.05498	50.1
81.03423	63.7
81.07064	75.5
83.04981	20.1
83.08616	17.2
85.02910	16.2
85.06544	5.2
85.22523	1.9
89.06038	3.9
91.03945	4.6
91.04909	2.3
91.05490	53.8
93.07048	65.3
95.04961	14.4
95.08614	45.1
97.02896	25.8
97.06536	10.1
97.10178	5.4
99.04444	9.8
103.03933	2.6
105.06315	2.5
105.07039	48.6
107.04947	5.2
107.08601	29.8
109.02873	8.7
109.06516	7.9
109.10164	16.2
111.04428	6.6
111.08079	5.8
115.05434	5.4
117.07034	28.7
119.08594	35.7
121.06443	2.2
121.10143	23.3
123.04407	3.1
123.08040	5.4
123.11718	8.6
124.62277	2.1
127.03913	11.8
128.06198	6.3
129.05472	9.3
129.07007	20.0
130.07726	4.0
131.08574	40.2
133.10143	21.2
135.08040	4.3
135.11728	14.2
141.06996	7.5
142.07758	3.5
143.08571	26.5
144.09396	2.3
145.06459	4.5
145.10132	30.4
147.08002	3.7
147.11707	27.2
149.09573	5.1
149.13245	9.3
151.11214	4.7
153.06967	3.2
155.08592	15.5
157.06494	2.4
157.10130	24.5
159.08070	4.4
159.11745	25.1
161.13297	10.5
163.11188	3.5
165.12782	5.3
167.08560	7.9
168.09383	2.8
169.10139	16.3
171.11710	19.2
173.04456	15.7
173.13297	14.5
174.83109	2.3
175.11180	6.1
175.14818	3.9
177.12740	6.0
179.08537	4.1
180.09198	2.3
181.10120	14.0
183.11708	15.2
185.09514	2.4
185.13239	11.6
187.11099	2.8
187.14796	6.5
188.94348	2.4
193.10204	4.4
195.11696	10.7
195.13680	3.9
197.09654	2.5
197.13358	10.4
199.14845	6.3
207.11749	3.7
207.62502	2.2
209.13301	7.7
211.11174	3.3
211.14848	3.8
213.12843	3.4
213.16455	3.2
221.13341	3.0
223.14844	5.7
225.16414	5.1
237.16487	3.2
239.17859	3.5
241.15649	2.4
241.19633	5.3
243.21077	3.0
253.19646	2.6
259.20618	7.8
261.22186	4.1
267.15994	10.9
269.17383	5.0
273.18350	2.4
275.20096	3.4
289.21729	2.9
301.21524	3.4
309.22061	2.3
319.22241	2.4
333.24417	4.8
335.26013	5.6
351.23218	4.0
367.22385	3.5
375.25433	2.6
385.23715	2.6
413.21393	3.3
417.31439	5.9
425.33798	2.7
435.32578	11.8
453.33429	7.7
471.34747	4.6
501.35382	3.6
509.36459	10.2
517.38586	4.2
525.34900	5.9
527.37317	100.0
528.37708	4.9
529.38965	3.8
543.35718	4.4
544.54395	2.3
545.38306	12.7
561.35748	2.7
602.22333	3.2
617.37781	3.6
635.39124	8.9
645.93024	2.7
653.40283	9.1
671.41443	15.8
689.42511	59.3
690.42383	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	688.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	0.9
55.05511	4.9
57.07080	100.0
59.05008	31.9
67.05510	6.1
68.09672	0.9
69.07056	4.0
69.27683	5.5
69.28093	2.7
71.08638	99.7
73.06536	2.2
79.05478	2.8
81.03414	2.2
81.07037	3.7
83.08619	3.6
83.32430	0.9
85.10190	92.3
85.34843	0.8
87.04473	11.2
88.06279	0.8
89.06041	77.1
91.05461	3.0
93.07034	2.4
95.04971	1.3
95.08604	1.6
97.06499	1.0
97.10168	2.4
98.09669	1.1
98.21529	2.0
99.11744	10.6
101.09643	2.4
105.07024	1.5
107.07066	3.5
107.08609	2.2
109.10125	1.7
110.08676	0.9
117.09143	5.7
119.08541	1.3
121.10130	1.6
130.08609	1.6
131.07065	5.9
131.79012	0.8
133.08615	58.1
135.11694	1.1
141.16389	9.9
173.11877	0.9
175.09674	3.9
177.11232	24.9
199.20576	19.7
200.20795	1.1
219.12193	1.3
221.13815	5.3
229.14299	0.9
231.32300	0.8
239.15045	1.7
240.23158	1.0
257.24734	9.1
283.17584	2.0
285.17093	1.4
327.20056	2.6
371.22714	1.7
397.24255	1.4
415.25339	10.5
445.86026	1.1
473.29675	1.5
688.51794	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	688.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.8
55.05510	2.0
57.07080	80.2
59.05007	13.6
67.05499	2.9
69.07072	1.5
69.43070	5.9
71.08636	53.8
73.06562	4.0
79.05492	1.4
81.07054	2.5
83.08639	1.6
85.10186	43.2
87.04470	13.2
89.06036	100.0
91.05476	1.1
93.07040	1.0
95.08597	1.5
97.10169	1.4
98.21465	1.6
99.11739	7.2
103.07586	6.6
105.07043	1.2
107.07075	2.6
107.08622	1.3
109.10165	2.1
110.10519	0.8
113.13299	2.9
117.09138	3.6
121.10223	0.8
130.08688	2.0
131.07056	6.5
133.08611	73.1
155.17996	4.1
175.09676	3.7
177.11232	28.0
178.08736	0.8
196.07332	0.8
213.22165	4.7
219.12361	1.4
221.13863	5.8
229.14359	0.8
230.07321	0.7
239.14900	1.3
257.24744	4.0
265.16541	0.7
283.17459	2.4
327.20212	1.5
353.21677	1.1
415.25317	2.1
459.28070	8.4
499.31277	0.9
517.18091	0.7
688.43488	2.8
688.52405	3.1
693.29218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.1
55.01863	5.6
55.05259	3.0
55.05513	29.1
55.47280	2.2
57.03434	15.7
57.07064	7.4
58.36735	2.9
60.52535	2.3
61.02914	9.8
65.03936	4.0
67.05183	3.8
67.05511	71.9
69.03439	29.1
69.07077	24.2
71.04987	12.2
71.08598	3.4
71.56336	3.1
73.02912	6.3
79.05069	4.3
79.05499	59.6
81.02988	4.5
81.03430	63.7
81.07066	80.4
83.04987	15.7
83.08620	12.9
85.02910	18.4
85.06541	5.4
91.05485	59.7
93.07053	63.8
95.04960	13.9
95.08618	48.4
97.02906	28.5
97.06521	11.6
97.10168	4.1
99.04437	8.9
99.08082	3.3
105.06390	4.6
105.07039	48.5
107.04964	5.5
107.08612	30.7
109.02872	11.1
109.06514	5.2
109.10153	15.2
111.04465	4.5
117.07034	23.6
119.08595	31.1
121.06569	4.5
121.10149	23.1
123.04417	3.3
123.08077	6.3
123.11680	8.6
125.09635	3.7
126.14556	2.7
127.03919	11.6
127.07515	3.0
128.06253	3.6
129.05466	11.8
129.07005	20.8
131.08565	37.2
133.06458	3.5
133.10144	30.9
135.08090	3.8
135.11691	17.3
137.06076	2.9
137.09676	3.6
141.06982	8.4
142.07779	6.7
143.08586	22.8
145.06458	3.6
145.10135	26.8
147.04384	6.0
147.08089	6.1
147.11708	26.9
149.09622	6.7
149.13292	13.6
155.08557	11.8
157.10147	24.0
159.11700	25.7
159.65750	2.6
161.09656	3.4
161.13263	11.1
165.12755	9.7
167.08537	9.8
169.10136	17.8
171.08000	4.0
171.11664	19.0
173.04482	13.0
173.09570	4.4
173.13338	16.3
175.11304	3.0
175.14856	7.1
177.12772	4.2
180.09331	3.6
181.10139	9.1
182.10783	2.6
183.11694	15.4
185.13275	14.3
187.11212	3.6
187.14847	4.8
193.12170	3.8
195.11725	10.4
195.13739	3.8
197.13240	11.7
199.14789	8.0
201.16455	4.8
207.11719	4.2
209.09763	4.1
209.13268	5.7
211.14874	4.3
213.16478	4.5
221.13312	3.5
223.14804	4.5
225.16496	5.5
237.16574	3.0
241.19586	4.8
243.20995	3.4
249.16690	3.2
257.19061	3.5
259.20615	7.9
261.22180	6.6
267.15976	8.4
269.17349	4.1
271.20679	2.6
285.16989	3.7
301.21616	4.5
309.22162	3.0
333.24365	6.2
335.25967	5.1
349.21533	3.1
351.23077	5.1
367.22672	5.2
397.44876	2.8
417.31409	5.7
427.27997	3.0
435.32599	15.4
453.33615	8.0
471.34735	5.2
502.15103	3.7
509.36285	7.2
525.35632	4.7
527.37335	100.0
528.37415	3.9
529.38708	4.9
545.38342	7.9
597.36841	3.1
635.39240	6.9
653.40088	5.2
671.41669	14.5
689.42456	53.6
690.41473	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	688.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01871	1.6
55.05514	14.6
55.27326	1.0
57.03437	13.7
57.07068	3.6
59.04993	3.2
61.02919	5.0
65.03952	1.4
67.05507	100.0
69.03419	1.9
69.06727	1.3
69.07072	19.3
70.96889	1.9
71.04978	3.5
71.08621	3.1
72.89821	1.2
73.02901	1.5
79.05481	12.4
81.03413	1.6
81.07061	45.7
83.08627	12.6
85.02891	3.4
85.06549	3.2
89.06004	1.5
91.05473	10.5
93.07046	11.8
95.04932	1.4
95.08610	31.7
97.02886	2.2
97.06541	2.2
97.10194	5.1
99.08095	1.7
105.07034	4.9
107.08591	6.5
109.10159	86.0
111.08083	4.3
119.08579	9.1
120.76279	1.0
121.10159	5.7
123.11709	4.7
125.09607	1.5
133.08612	1.3
133.10114	5.0
135.11688	4.4
137.09628	4.2
137.13264	1.6
147.11719	3.6
155.10686	4.5
161.13301	2.6
163.14818	1.5
173.11737	20.1
175.14795	1.6
229.14355	96.3
245.22646	3.4
263.23734	4.4
272.23621	1.2
337.27368	81.7
338.27643	2.0
342.02545	1.0
491.37326	94.3
492.37524	2.9
509.37823	1.2
534.09314	1.1
688.46411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05273	0.8
55.05515	12.8
57.03193	1.1
57.03441	12.2
57.07087	3.7
59.05001	4.0
60.23850	0.8
61.02929	4.1
62.76176	0.7
65.03933	2.4
67.05508	86.9
69.03410	1.7
69.07072	13.0
70.96949	1.9
71.04995	2.7
71.08617	1.5
73.02924	1.3
75.68105	0.7
76.15859	0.7
79.05487	7.0
81.06581	1.7
81.07059	34.8
83.04941	1.5
83.08620	11.3
85.02891	3.3
85.06532	2.6
89.06014	1.0
91.04002	1.0
91.05475	7.8
93.07046	9.6
95.04949	1.5
95.08611	23.8
95.39843	0.8
97.02880	2.8
97.06524	2.0
97.10187	3.7
99.04456	0.9
99.08109	1.4
104.81728	0.9
105.07050	4.5
107.08604	7.0
109.10162	71.1
111.08066	3.0
117.06974	1.0
119.08589	7.9
121.10139	4.1
123.11679	3.2
125.09563	1.0
127.03865	0.8
127.11198	0.8
133.10114	4.0
135.11713	1.7
137.09625	3.6
137.13275	2.2
147.11676	1.6
149.13278	1.7
151.14799	0.8
155.10646	4.4
155.68875	0.7
161.13219	1.8
163.14783	1.4
163.94690	0.7
165.16382	1.0
173.11748	19.3
173.13181	1.7
175.14847	1.5
196.07318	1.0
227.12813	1.6
229.14357	100.0
230.14667	1.3
245.22626	2.5
250.38734	0.8
263.23682	4.9
337.27359	66.5
338.27826	2.1
340.20352	0.8
447.97174	0.8
491.37317	48.4
492.37601	2.0
509.38229	1.2
529.70441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
51.36116	0.4
52.66710	0.4
53.03958	0.6
55.01881	1.4
55.05518	0.8
55.76480	0.5
56.67282	0.4
57.03436	0.5
61.02960	0.5
65.03937	2.5
67.05505	2.5
69.03437	1.8
69.07081	0.9
69.90426	1.2
69.90841	1.3
70.06597	6.3
71.84462	0.4
72.08171	1.4
76.81348	0.4
77.03957	0.5
79.05504	3.2
81.03425	3.2
81.07048	2.2
83.05000	0.7
84.08147	1.4
85.02913	3.7
86.09717	0.8
89.03920	0.7
91.05495	7.1
93.03403	0.7
93.07075	0.7
94.04198	1.9
95.04958	3.7
95.08601	0.9
97.02896	2.9
97.06559	1.3
98.09707	0.5
99.04473	0.6
102.04700	0.5
103.04789	1.0
103.05472	18.8
105.03396	1.4
105.07021	4.0
105.48915	0.5
107.04959	4.1
107.08635	0.8
108.02126	1.1
109.02908	1.1
109.06512	1.6
109.10166	1.1
110.03653	0.8
111.04468	0.9
112.07635	1.0
115.05465	3.7
116.07128	0.5
117.07032	3.2
118.04154	3.6
119.04947	7.4
119.08592	1.4
121.02891	0.6
121.06511	1.5
122.03644	4.6
123.04453	2.7
123.08089	0.5
124.03954	0.5
124.07607	0.6
125.06028	2.1
127.03922	1.4
128.06230	0.8
128.07111	1.1
129.07011	1.7
129.68349	0.5
130.04192	1.0
131.04935	31.2
131.08539	0.6
132.05722	0.8
133.02896	1.7
133.06499	3.4
133.10152	0.9
135.04382	0.6
135.08078	1.8
137.05983	60.3
138.06335	1.0
138.09193	0.6
139.07564	0.9
141.05486	2.0
142.02695	0.5
143.04958	2.2
143.08643	0.5
144.05724	0.6
145.02847	0.6
145.05113	0.5
145.05295	0.6
145.06485	4.6
145.10133	0.8
146.03674	0.8
147.04420	7.7
147.08040	1.8
148.05205	8.5
149.00575	1.7
149.06009	2.0
151.03915	82.8
151.04993	4.9
151.07553	2.1
152.04292	1.4
152.07016	0.5
153.05531	2.8
153.06622	0.4
157.06462	0.8
159.04376	0.8
159.08102	0.7
160.05209	0.9
161.00543	1.1
161.01871	0.5
161.05965	4.5
162.06731	1.1
163.02237	0.5
163.03925	1.6
163.07552	22.0
165.05478	3.5
165.09135	1.4
167.07053	9.6
171.04376	0.6
173.06020	3.3
174.06767	0.5
175.07558	5.2
176.04681	1.7
177.05487	3.3
177.07841	0.6
177.09148	1.2
178.00844	1.9
179.07021	4.4
179.08389	0.7
181.03424	0.6
181.04970	17.1
181.06378	0.8
185.05989	0.6
187.07555	2.2
189.05481	1.4
189.09126	1.3
190.06360	1.2
191.07037	100.0
192.07498	1.9
193.03218	16.4
193.04916	1.0
193.08688	2.3
195.06537	1.2
201.05431	1.2
203.07027	4.0
205.06668	0.7
205.08623	3.9
207.06444	1.0
207.08211	0.6
207.10130	1.5
209.08064	5.2
211.07512	0.9
217.08606	1.3
219.08264	0.9
219.10201	2.2
221.08017	1.0
223.09708	1.6
224.08292	0.6
227.07050	0.6
231.06575	0.6
233.06033	0.8
233.08102	3.1
234.06792	1.0
235.07648	0.8
235.09627	4.1
237.09140	1.8
239.10745	0.6
241.08598	0.6
249.09103	1.4
251.06998	0.6
259.09692	0.9
262.06271	0.6
263.09161	17.5
265.08603	1.8
266.09354	0.6
267.10153	1.1
277.08594	2.0
279.06726	0.6
279.10107	0.6
282.07889	1.8
293.08038	1.1
294.08743	0.6
295.09644	1.6
297.11206	0.7
299.12872	0.9
300.09158	0.6
305.08075	0.5
307.09772	0.8
309.11111	1.1
314.11475	0.9
323.09149	0.5
325.10687	1.5
327.12256	3.2
329.13791	2.0
337.10681	1.7
339.12125	1.2
341.13809	1.2
351.12204	1.6
355.11801	8.8
355.16013	0.8
357.13293	2.0
359.15009	1.1
369.13333	3.8
387.14383	35.9
388.14624	1.0
468.15677	0.5
517.18604	2.6
549.21021	1.1
602.17731	0.5
643.57050	0.5
692.89221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	15.5
53.87338	3.7
55.01871	9.6
55.05519	28.6
57.03429	9.2
57.07076	9.1
58.71750	3.1
61.02915	6.6
65.03944	3.6
67.05508	52.3
68.99788	6.7
69.03138	4.5
69.03437	51.8
69.07072	51.1
70.06593	11.0
71.04982	11.8
71.35240	7.6
72.08149	6.5
73.02912	8.5
79.05506	35.0
81.03427	58.4
81.06593	4.5
81.07069	75.8
83.04984	41.7
83.08613	22.9
85.02449	5.3
85.02917	80.7
85.06519	5.4
87.00842	30.3
91.05477	31.6
93.07052	59.3
95.04969	10.0
95.08046	7.1
95.08611	82.7
97.02910	45.5
97.06503	6.5
97.10162	6.4
99.04456	20.1
105.01853	27.4
105.07046	59.1
107.04973	4.9
107.08604	82.1
109.02885	56.8
109.06506	9.4
109.10164	86.4
111.11738	6.9
115.05459	4.8
117.07011	10.8
119.04917	4.7
119.08588	70.3
121.06480	8.2
121.10158	88.2
123.04452	4.4
123.08078	10.2
123.11715	30.9
127.03922	66.6
128.06250	5.0
128.07083	17.1
129.01855	5.7
129.07019	6.8
131.08583	27.3
133.06508	6.0
133.10143	47.8
135.08031	17.8
135.11688	42.1
137.09624	7.2
137.13258	15.7
143.08553	13.8
144.09346	5.3
145.04974	16.3
145.10123	50.9
147.02910	4.8
147.04407	7.8
147.08075	5.2
147.11707	44.8
149.09621	45.3
149.13240	16.2
151.11166	7.5
153.05473	4.8
155.08601	9.3
157.10141	25.6
159.02956	21.3
159.08064	9.5
159.11734	34.7
161.09583	11.8
161.13258	30.4
163.11160	6.3
163.14809	13.2
165.09126	8.8
167.10667	10.7
169.10101	13.9
171.11702	22.7
172.11043	3.6
173.09579	9.2
173.13306	24.7
175.11143	11.4
175.14801	23.6
177.16359	6.4
179.14275	4.2
183.11740	13.9
185.09564	5.5
185.13242	17.1
187.11115	8.1
187.14810	27.6
189.12798	10.6
189.16418	39.9
191.14243	5.8
191.17949	17.7
194.10841	5.1
195.11642	7.0
197.13232	9.5
199.14827	20.6
201.12779	5.5
201.16393	19.0
203.14279	7.0
203.17952	14.0
205.19440	5.6
209.13319	7.5
211.14784	13.1
213.03792	6.1
213.16400	19.2
215.14282	5.7
215.17932	19.1
217.15854	16.7
217.19453	23.7
219.17535	4.1
223.14917	7.3
225.12558	4.5
225.16362	9.0
227.17966	8.3
228.05759	4.3
229.15968	5.9
229.19518	8.0
231.05014	14.0
231.17409	9.8
233.19109	4.9
235.17006	7.0
237.16408	8.8
239.18059	5.3
241.19453	11.1
243.17603	5.0
243.20999	6.8
245.22536	4.6
251.17891	8.8
253.19534	6.1
255.17354	6.1
265.19446	5.3
267.21176	8.9
269.22787	6.2
271.24179	9.2
281.22562	10.0
283.20959	4.6
285.22202	8.7
299.23541	5.0
321.25867	6.9
323.27335	11.9
339.26923	12.4
403.33600	40.5
421.34634	90.8
430.89716	4.1
439.35760	41.1
524.04230	4.8
619.32013	4.1
643.41638	12.6
669.39960	22.4
687.29834	6.6
687.40985	100.0
688.40662	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.1
55.01867	14.3
55.05513	37.1
57.07057	8.3
61.02934	8.6
67.05508	50.7
69.03436	50.6
69.07080	45.3
71.01359	5.5
71.05006	9.0
71.55372	6.5
72.08171	7.9
73.02888	7.8
73.76379	6.2
79.05492	38.2
81.03416	46.4
81.07057	66.1
83.04977	9.5
83.08616	25.9
85.02905	70.6
87.00824	20.5
91.05472	41.1
92.39229	5.4
93.07048	60.5
95.04969	12.2
95.08617	83.6
97.02895	33.2
97.06493	10.1
97.10188	14.6
99.04449	17.4
105.01888	13.5
105.07026	53.2
107.08596	86.8
107.75217	7.4
109.02872	45.0
109.06528	11.9
109.10179	59.5
117.07005	13.8
119.04987	8.5
119.08580	52.6
121.06454	9.8
121.10154	100.0
122.10542	7.3
123.08120	11.8
123.11713	28.2
127.03933	74.0
128.06236	8.1
129.06952	11.4
131.08589	31.2
133.06470	7.8
133.10132	43.6
135.08057	10.5
135.11687	17.0
137.13264	22.8
139.11131	6.5
142.07822	6.5
143.08533	11.2
145.04948	21.5
145.10135	36.1
147.08101	12.1
147.11681	31.7
149.09671	23.4
149.13263	13.9
153.02434	6.1
155.08545	9.3
157.10161	33.9
159.02933	21.3
159.08076	12.5
159.11661	35.2
161.09671	9.1
161.13278	22.2
163.11125	12.6
167.10693	17.2
169.10089	14.6
171.11699	19.1
173.09651	10.1
173.13260	19.5
174.10426	6.4
175.14751	11.0
181.10019	8.7
183.11702	15.9
185.09630	12.0
185.13197	13.0
187.11098	7.3
187.14783	16.7
189.12798	12.9
189.16412	11.6
195.11668	12.2
197.13300	12.9
199.14795	11.9
201.16304	9.5
203.14262	7.3
209.13237	11.1
211.14848	10.2
213.16431	7.8
215.17790	8.3
217.15964	18.3
217.19589	10.8
231.05054	13.0
235.16991	7.6
237.16319	9.2
239.17892	7.8
243.71346	6.3
251.17902	11.3
255.17424	11.9
267.21063	8.0
269.19119	6.1
269.22525	8.7
271.24246	16.3
275.20081	13.8
285.22195	19.2
299.23743	11.9
403.33707	39.5
420.70963	6.8
421.34665	59.2
439.35974	50.6
643.41797	9.1
669.39227	17.0
687.40857	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61315	0.6
53.03944	1.2
55.01895	0.6
55.04161	0.6
55.05514	11.6
57.03439	12.6
57.07066	1.5
59.05002	3.1
61.02931	4.6
65.03943	3.0
67.05508	100.0
68.05856	0.7
69.03444	1.7
69.07072	7.9
69.90933	0.6
69.94371	1.1
69.94779	2.4
71.05003	3.3
73.02925	1.0
79.05498	17.8
81.07062	34.8
83.05001	1.2
83.08620	7.5
85.02911	4.2
85.06560	2.4
91.03970	1.4
91.05483	13.4
93.07044	22.4
93.07630	1.3
95.04990	1.9
95.08613	23.6
97.02892	1.9
97.06541	1.0
97.10183	1.8
99.08122	0.8
105.07040	6.2
107.08599	13.6
107.09298	1.1
109.10159	79.2
111.08083	3.6
112.14468	0.6
112.22890	0.6
117.07011	1.7
119.08585	11.0
121.10147	9.1
123.08118	0.8
123.11710	4.4
125.09586	1.0
125.55113	0.7
131.08569	5.7
133.10161	4.9
135.11691	7.6
137.09642	2.9
137.13326	1.4
145.10121	3.8
147.11679	3.4
149.13277	4.2
151.11130	0.6
151.72083	0.6
155.10684	7.3
159.11670	3.4
161.13255	2.2
163.14807	3.0
173.11769	21.3
173.13274	3.4
175.14906	0.9
177.16414	0.9
187.14822	2.4
189.11235	0.8
201.16397	0.6
227.12820	4.9
229.14360	91.9
230.14700	2.5
243.21049	4.7
253.77342	0.7
261.22183	16.4
262.22604	0.9
317.24765	3.0
335.25818	64.0
336.26157	2.8
379.29892	1.1
397.31036	1.2
401.65149	0.6
415.31985	0.9
433.33215	1.0
471.34595	1.3
489.35788	34.0
490.35757	2.0
507.36618	2.7
621.94507	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43941	0.9
53.03939	1.3
55.01863	1.1
55.05511	13.7
55.89545	0.8
57.03439	13.0
57.07072	2.6
58.49412	0.8
59.04996	3.3
59.14766	0.8
61.02925	5.3
61.50507	0.8
65.03934	1.9
67.05506	100.0
69.03442	1.2
69.07073	7.8
69.26959	6.7
69.27376	1.8
69.27783	0.8
71.04985	4.2
73.02917	2.0
79.05059	1.5
79.05498	22.7
81.03378	0.9
81.07062	38.2
83.08620	8.2
85.02905	4.3
85.06544	3.3
87.04467	1.2
91.03951	2.2
91.05481	12.7
93.06476	1.8
93.07048	28.2
95.05026	1.8
95.08609	29.0
97.02896	2.5
97.06502	1.4
97.10163	1.4
105.07028	8.7
107.08603	16.4
109.06543	1.4
109.10159	73.7
110.10502	0.9
111.08069	3.3
117.07015	2.7
119.08588	10.4
121.10140	11.4
123.11710	3.8
125.09647	1.0
131.08562	5.8
133.10117	4.3
135.11693	7.6
137.09636	3.1
137.13327	1.0
145.10109	4.4
147.11705	3.4
149.13232	5.7
151.14854	0.8
155.10675	7.6
159.11678	4.0
161.13278	3.3
163.14859	2.9
173.11780	19.8
173.13272	4.2
175.14828	1.1
185.13315	1.0
187.14810	2.1
189.11288	1.6
227.12767	4.9
229.14357	91.7
230.14629	1.4
243.21036	5.3
261.22153	17.9
317.24695	3.7
335.25806	81.7
336.26083	2.9
397.30914	2.2
415.32101	1.8
471.34375	1.3
489.35764	62.5
490.36133	3.1
507.36737	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	686.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50793	0.2
51.02373	0.3
52.03174	0.6
53.03947	0.9
55.01883	0.7
57.03441	0.5
57.05811	0.3
65.03938	2.0
67.05515	1.6
67.43627	0.3
68.05710	0.3
69.03434	3.3
70.06598	0.8
70.53926	0.5
71.05004	0.6
72.08154	0.5
81.03420	5.1
84.08173	0.6
85.02916	2.7
88.04006	1.1
91.05469	0.5
93.03402	1.3
95.04978	0.8
97.02896	2.4
99.04485	0.6
107.04969	2.5
108.02110	1.7
109.02887	3.0
110.03692	0.5
110.07196	0.3
111.04453	4.6
119.04995	0.5
120.08083	0.8
123.04449	1.1
125.05983	1.7
127.03918	1.3
135.04428	6.4
135.34207	0.3
136.07675	0.3
137.05992	0.9
139.03905	10.0
141.05478	1.5
145.04909	0.3
147.04408	0.6
148.07570	0.6
151.03912	100.0
151.04988	5.9
152.04297	1.0
163.03926	2.2
166.08643	30.5
167.08986	0.4
169.04967	4.3
176.06906	0.3
177.05513	0.3
181.04958	8.9
212.09184	63.2
213.09439	1.0
295.08179	4.9
299.17059	0.3
302.10513	0.6
313.09103	4.2
328.13800	0.5
331.04462	0.3
360.04099	0.5
362.12180	0.8
368.44809	0.3
374.14337	1.1
427.19370	0.3
474.81415	0.3
506.16077	0.5
524.17645	19.0
525.18048	0.6
686.22052	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4494
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
51.56979	0.3
53.61605	0.4
55.05504	0.8
57.03443	0.8
67.05503	2.3
69.07088	0.9
70.07280	1.4
71.76080	0.4
79.05508	2.6
81.07056	2.6
81.47343	0.4
83.08640	0.6
91.05460	2.1
93.07049	2.8
95.08616	1.6
97.79044	0.4
105.07059	1.7
107.08600	1.1
109.10180	0.5
117.07025	0.5
119.08618	1.4
121.10178	1.0
122.54495	0.4
133.10104	0.7
135.11752	0.6
143.08640	0.4
144.57458	0.4
145.10194	0.5
147.11711	0.7
147.32663	0.4
159.11668	0.5
161.13338	0.4
167.51924	0.4
173.02371	0.4
247.13266	0.7
303.15756	0.8
315.19421	0.6
317.20856	1.0
333.20386	8.6
373.23599	0.9
389.23004	4.9
461.25037	0.7
496.52145	0.4
542.66266	0.5
595.39783	0.5
597.38129	0.9
656.46521	0.5
683.44977	100.0
684.45282	4.5
696.26611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58633	6.6
55.05500	22.8
57.03431	16.8
57.07072	25.9
59.74145	8.3
61.88558	7.1
63.86003	7.6
67.05229	8.6
67.05511	100.0
69.03408	7.9
69.07061	29.3
71.08636	15.7
71.56377	11.3
79.05504	65.0
81.07054	92.8
83.08627	21.6
91.05483	48.5
93.07043	87.8
95.04965	11.9
95.08610	53.7
97.06525	11.0
99.08095	11.7
105.07040	40.5
107.08604	44.6
109.10160	35.1
117.07027	22.1
119.08575	33.8
121.10144	25.1
129.06989	13.7
131.08556	28.5
131.47623	7.2
133.10126	16.7
134.16098	8.7
135.11656	23.3
143.08627	13.2
145.10112	20.6
147.11688	14.5
149.13261	12.3
157.10162	12.7
159.11786	9.3
161.13210	11.6
163.11208	11.0
169.10205	9.9
171.11642	10.2
173.13402	11.4
177.12712	11.1
183.11621	7.7
185.13409	9.5
187.14752	11.7
229.14297	16.8
254.27328	8.1
269.17557	20.1
335.25723	47.3
351.25247	12.9
472.86197	8.5
529.38898	72.7
574.34088	8.4
611.46442	33.3
629.47675	12.0
651.27881	13.2
664.42676	14.5
682.43408	95.9
683.43579	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	682.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.16966	0.2
58.65511	0.2
59.09951	0.2
61.02922	0.3
65.03934	1.1
69.03436	2.0
70.06577	1.1
71.54286	0.3
72.08153	1.0
73.02904	0.3
75.44945	0.3
81.03416	1.6
84.08115	0.4
85.02904	1.5
87.04452	0.5
88.03989	0.5
91.05485	10.3
93.03422	0.3
97.02870	1.0
97.06455	0.2
99.04449	0.4
99.69855	0.3
103.03996	0.4
107.04951	1.2
109.02859	0.9
111.04479	1.8
113.35728	0.3
116.07104	0.3
119.04948	23.8
120.08148	0.5
123.04482	0.4
127.03925	1.2
128.07085	0.4
135.04410	2.9
136.07631	0.4
137.05981	0.6
138.16718	0.2
139.03906	5.5
145.02861	0.3
147.04416	100.0
148.04794	1.3
151.07597	0.3
163.03917	1.5
165.05472	0.7
166.08650	16.2
169.12215	0.3
177.05505	0.8
178.04895	0.3
181.04961	5.3
181.06509	0.4
182.67558	0.3
199.27773	0.3
212.09186	32.3
213.09544	0.5
291.08539	1.4
309.09729	2.5
328.14276	0.4
347.93616	0.3
358.12701	1.2
374.14545	4.3
384.48941	0.3
388.14261	0.6
462.28470	0.3
469.92889	0.3
474.17825	0.3
520.18115	14.1
521.18353	0.5
636.23291	0.3
682.23181	5.5
683.23553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
55.01880	0.2
55.41805	0.2
57.03431	0.3
57.05828	0.3
61.02946	0.3
65.03934	1.5
69.03436	1.6
70.06594	0.8
71.04984	0.2
71.54417	0.3
72.08163	0.6
73.02942	0.2
79.05473	0.3
81.03434	1.4
83.75886	0.2
84.08148	0.3
85.02911	1.6
86.09699	0.2
87.04505	0.2
88.03999	0.5
91.05484	9.3
93.03426	0.3
97.02892	0.9
107.04955	1.2
109.02905	0.9
111.04442	1.2
115.87384	0.2
119.04949	23.8
120.08133	0.4
123.04456	0.4
125.05987	0.3
127.03914	1.0
135.04428	3.2
136.07494	0.3
137.05974	0.4
139.03906	5.6
145.02815	0.3
145.04919	0.3
147.04414	100.0
148.04758	1.6
148.07524	0.3
151.06271	0.4
154.08702	0.2
163.03944	1.1
163.05534	0.2
165.05516	0.4
166.08649	15.6
177.05447	0.4
181.04955	4.8
182.08124	0.2
212.09187	30.2
213.09523	0.4
273.07443	0.2
291.08676	0.9
309.09695	1.9
328.13785	0.4
358.12900	1.2
374.14481	4.2
388.13898	0.3
418.08667	0.2
484.16428	0.2
520.18146	12.8
521.18127	0.4
664.30377	0.3
682.23285	4.7
683.22803	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	680.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.01867	7.0
55.05511	25.3
57.03443	14.6
57.07071	6.0
59.04991	3.3
64.64326	2.4
65.03947	6.8
67.05513	100.0
69.07068	29.1
70.08468	2.6
70.61487	4.5
70.61865	5.7
71.04991	2.8
71.08642	4.1
74.72063	3.1
75.42896	2.7
79.05499	59.3
80.05853	2.8
81.07066	76.8
83.04990	6.9
83.08646	17.0
85.06539	4.6
91.05490	43.0
93.07059	54.2
95.04978	11.6
95.08617	56.2
97.06557	9.4
97.10172	9.8
99.08082	4.1
105.07043	33.3
107.04970	5.2
107.08607	38.9
109.06512	4.7
109.10165	47.4
111.08071	6.2
117.07024	14.6
119.08587	27.6
121.06528	3.9
121.10161	29.6
123.08063	3.8
123.11716	10.7
125.09640	7.9
131.08572	18.3
133.10139	23.1
135.08072	4.6
135.11667	19.4
137.09692	3.9
137.13197	2.8
141.49518	3.2
145.10156	14.4
147.11697	15.3
149.09659	7.5
149.13280	11.1
155.08595	5.2
157.10072	6.0
159.11748	16.2
161.13335	5.5
171.11749	4.4
173.11739	8.3
173.13252	6.1
175.14824	4.2
177.12718	3.8
183.11632	3.0
187.14835	3.3
189.11299	3.4
195.13875	5.1
199.14854	3.3
211.14967	2.9
227.12744	10.4
229.14311	27.6
230.14816	3.3
239.18082	3.5
243.20998	3.3
257.19196	4.4
259.20682	4.4
261.22205	11.4
262.74704	2.9
269.17584	19.3
275.20120	20.7
293.21115	4.5
317.24783	5.3
335.25864	77.9
336.26010	3.8
349.23767	11.8
367.24847	9.0
406.43237	3.1
489.35883	24.5
505.55762	3.1
529.38947	23.6
529.78998	2.8
604.99249	3.5
609.45178	16.6
627.45966	9.0
680.42462	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	680.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
54.43754	2.0
55.05513	12.0
57.03432	7.8
57.07056	2.2
59.99009	1.9
61.02929	28.0
67.05510	73.4
69.03429	4.8
69.07074	10.2
70.06590	3.9
70.29482	1.9
71.55616	2.3
71.64351	1.9
72.08161	3.4
73.02921	8.8
73.98225	2.2
79.05500	47.2
81.03416	7.2
81.07063	83.4
83.04977	2.0
83.08616	8.0
85.02914	31.6
85.06555	2.9
91.03969	23.8
91.05482	28.1
93.06471	3.9
93.07047	62.9
95.04971	4.1
95.08611	69.6
97.02895	15.5
97.06535	5.3
97.10171	2.5
99.08085	3.1
103.03938	2.6
105.07030	22.9
107.08595	49.6
109.02884	2.1
109.10158	40.6
111.08060	5.2
115.03966	2.0
117.07021	8.5
119.08582	20.2
121.10155	39.5
123.11725	16.2
125.09607	2.9
127.03918	8.0
131.08574	16.9
132.32944	2.3
133.10152	18.5
135.11707	33.4
137.09639	3.6
137.13257	2.4
139.11221	3.1
145.04967	14.7
145.10150	22.1
147.11729	18.3
149.13272	26.1
151.11220	3.3
159.11699	20.9
161.13263	5.6
163.06000	16.5
163.11148	2.2
163.14833	8.3
173.11952	2.8
173.13239	13.7
187.14833	8.1
201.16338	2.9
219.21140	3.5
229.19531	41.1
247.20593	100.0
249.22424	2.7
265.21561	6.6
321.24271	33.5
339.25330	48.7
340.25851	2.8
483.29611	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	680.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01849	0.6
55.05487	0.4
57.03442	2.7
59.04961	0.4
61.02892	1.2
69.03391	1.6
69.44355	0.6
69.44758	2.2
70.06600	6.2
71.01313	0.4
71.04997	16.2
73.02890	1.0
75.04437	0.7
79.05466	0.5
81.03374	1.2
83.04939	1.0
83.05392	0.4
84.08103	1.0
85.02908	18.9
87.04459	0.8
91.05425	0.5
95.04938	0.7
97.02882	2.5
97.06533	0.4
99.04457	0.8
107.04920	0.7
109.02828	0.5
109.06506	0.5
111.04420	0.8
115.05428	0.4
115.62732	0.4
117.03355	0.4
119.04884	0.5
121.02843	1.2
123.04396	0.5
127.03900	1.5
129.05492	4.1
133.06451	0.5
135.04393	0.7
136.07433	0.4
137.02347	13.5
137.03394	0.8
147.04381	1.2
147.06499	0.9
149.02321	0.7
149.05983	0.8
161.05930	1.1
163.03882	1.3
167.07008	1.3
171.04393	0.5
173.50842	0.4
177.05487	1.4
179.03300	0.6
181.05031	0.5
187.03880	0.4
189.05486	1.2
197.08093	0.8
201.05383	0.8
203.03423	0.4
205.04980	2.6
211.83847	0.4
217.04990	1.1
219.06538	0.4
228.40562	0.4
234.13423	0.4
253.08595	0.6
263.07117	0.7
265.62869	0.4
266.05869	0.5
281.08160	0.8
285.07736	0.5
286.04938	0.4
287.05569	0.4
291.06476	0.4
294.05396	0.4
299.05469	2.7
299.08817	0.7
303.04984	1.6
309.07672	2.2
311.05435	1.1
312.06320	0.6
313.07138	2.2
315.04993	10.3
325.07123	1.0
326.04288	0.7
327.05103	1.3
327.08673	4.5
329.06549	3.9
337.07108	4.3
339.05075	1.1
340.05685	2.5
343.08130	3.9
354.09802	11.7
355.08139	94.7
356.08618	2.3
372.10791	100.0
373.11139	1.8
396.11697	0.4
500.15424	0.4
516.15149	0.6
518.16565	1.3
534.16125	12.3
616.59131	0.4
680.21808	15.4
681.21967	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	679.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91025	1.9
51.01628	1.8
53.03940	2.5
55.01881	2.1
55.05515	23.5
57.03429	5.9
57.07083	9.4
61.02939	17.1
67.05510	82.9
69.03431	3.8
69.07076	30.1
69.36051	5.0
69.36469	9.2
71.05014	2.4
71.08625	5.5
73.02912	6.1
79.05500	23.7
81.07064	100.0
83.05005	2.6
83.08622	20.6
85.02911	18.7
85.10170	2.2
91.03957	12.4
91.05486	16.2
93.07049	25.0
95.04963	2.9
95.08613	74.8
97.02889	6.8
97.06518	6.1
97.10179	15.3
98.21437	3.4
99.08118	4.6
105.07042	15.0
107.08615	18.7
109.06516	1.9
109.10165	35.3
111.08098	2.3
111.11739	4.0
119.08567	14.3
121.10143	24.2
123.11716	19.3
125.09602	2.5
127.03899	5.1
129.05469	2.0
133.10141	17.9
135.11700	11.6
137.13240	7.3
141.12801	3.2
145.04959	7.8
147.11702	12.3
149.13277	12.3
151.14839	4.3
155.14293	5.0
161.13261	14.6
163.06041	9.8
163.14853	9.3
165.16389	10.7
175.14793	8.6
177.16353	2.1
179.14217	2.2
179.17992	5.8
189.16348	4.2
217.19272	2.2
221.57617	2.0
245.22650	57.0
255.16229	1.9
261.83063	2.0
263.23706	78.4
264.24069	2.6
337.27396	62.2
338.27017	1.9
353.24878	2.0
355.28491	6.5
444.90472	1.9
499.32306	4.3
687.22272	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	679.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80207	0.5
71.54800	0.7
74.02432	0.8
91.05473	1.2
115.05402	0.6
117.05734	0.8
117.07043	1.2
118.06553	18.3
118.08712	0.5
124.56795	0.5
130.06523	1.3
132.08078	6.3
142.06511	1.3
143.07265	1.9
144.08089	13.9
146.06017	60.6
147.06319	1.0
159.09175	6.2
170.06027	4.0
188.07076	100.0
189.07445	1.9
205.09738	43.3
206.10101	0.6
425.55240	0.5
516.32196	0.6
529.86090	0.7
560.23358	0.6
567.83704	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
57.03427	0.5
59.04998	0.3
62.23970	0.2
67.05489	0.7
68.24121	0.2
69.03434	2.4
69.07074	0.6
70.06581	0.6
71.55858	0.3
72.08142	0.3
73.02930	0.3
79.05471	0.3
81.03404	0.4
81.07053	0.5
82.06579	0.3
83.04980	0.3
83.08601	0.8
84.08157	0.4
85.02905	2.1
87.04467	1.0
89.06055	0.3
91.05486	0.3
93.07045	0.6
95.04972	0.3
95.08620	0.3
97.02899	2.2
100.07632	0.3
100.11253	3.2
105.07043	0.5
107.04943	0.5
107.08589	0.3
109.10175	0.3
111.04442	0.4
112.07581	0.4
115.03943	1.3
119.04936	0.3
119.08558	0.4
121.06490	0.2
121.10157	0.3
127.03938	0.5
127.08611	0.3
128.07079	0.6
131.08659	0.2
133.02856	0.2
133.04987	1.1
133.10298	0.2
134.03661	0.4
135.04459	0.2
135.11678	0.2
139.08664	0.2
139.36848	0.2
140.07028	0.2
142.78069	0.2
143.08546	0.2
145.05019	0.2
147.04399	0.7
151.03900	0.3
153.05453	0.3
161.05992	0.2
163.03903	0.7
165.01848	0.4
167.06979	0.2
175.03909	0.4
175.07515	0.3
175.14801	0.2
176.01071	0.4
177.01869	0.3
177.05522	0.4
182.15390	1.5
187.07657	0.3
194.02080	0.2
197.06004	0.3
200.04744	0.4
201.05421	0.7
203.03409	0.8
209.16483	1.2
210.14955	1.2
218.05807	0.4
219.06467	0.4
221.04517	0.8
226.19279	0.3
236.06844	0.6
239.06981	0.2
241.04958	0.4
242.05521	0.3
251.15356	0.2
253.04924	0.3
254.05797	0.3
256.07297	0.3
259.05984	0.4
261.09134	0.3
265.05087	0.4
265.08640	0.3
267.06537	0.7
269.08182	0.6
270.05261	0.3
277.08685	0.7
278.09506	0.4
279.06351	0.3
279.10175	0.5
281.08163	1.0
282.05197	0.7
284.06924	0.4
285.07620	0.3
289.08658	0.4
291.06784	0.4
292.07416	0.2
293.04614	0.3
293.08069	0.3
295.06049	1.1
295.09579	0.6
296.07001	0.3
296.10474	0.6
297.07590	1.6
298.04755	5.2
298.08115	0.2
299.09088	1.6
306.08914	0.5
307.09613	0.4
309.07547	3.0
310.04727	1.3
310.08185	0.5
311.09207	0.4
313.07071	11.7
317.08051	0.6
320.06870	0.3
321.11218	0.3
323.05411	1.0
324.06195	0.8
325.07062	3.1
325.10721	0.9
325.14380	0.7
329.06406	0.7
333.07590	0.5
334.08371	1.9
335.08939	0.5
337.07056	6.6
337.11057	0.3
338.07727	1.7
339.08612	0.8
339.12418	0.5
343.31134	0.3
349.10724	3.0
351.08640	0.8
352.09409	8.4
353.09827	0.3
367.11771	100.0
368.12100	2.2
385.12927	1.8
409.12799	0.3
435.33432	0.3
452.35516	0.3
453.34372	0.7
463.13928	0.4
499.15930	0.3
529.16913	0.9
560.90778	0.2
661.21539	0.6
661.50299	0.6
670.50800	0.3
679.51135	2.0
680.01233	0.5
680.52179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
54.18330	0.2
57.03413	0.6
62.33818	0.2
66.87690	0.2
67.05487	0.6
68.27716	0.2
69.03436	1.7
69.07043	0.3
69.27838	2.4
70.06599	3.2
72.08147	0.4
79.05480	0.4
81.03408	0.5
81.07034	0.8
83.04954	0.3
84.08128	1.0
85.02899	1.9
85.15008	0.3
86.09692	0.5
87.04447	0.8
91.05469	1.0
92.99776	0.3
93.07029	0.7
95.04972	0.6
95.08606	0.4
97.02905	1.6
100.11228	0.5
105.07005	0.7
107.04941	0.5
107.08593	0.5
109.02859	0.5
111.04434	0.2
112.07587	0.6
115.03922	1.0
116.07050	0.2
117.03363	0.3
119.08578	0.7
127.03894	1.0
133.04939	0.8
133.10104	0.5
134.03650	0.5
135.04373	0.4
136.07585	0.3
137.05989	0.5
145.02832	0.4
145.04948	0.3
147.04379	0.9
151.03905	0.2
153.05479	0.8
163.03914	0.9
164.07047	0.9
165.01875	0.5
165.05424	0.3
167.06969	0.3
175.03972	0.5
175.14742	0.3
176.01077	0.2
176.04669	0.3
176.15158	0.3
177.01859	0.2
177.05498	0.4
183.02885	0.3
183.07976	0.5
184.03682	0.7
189.05444	0.3
195.06502	0.3
196.00891	0.2
197.05894	0.6
200.04750	0.4
201.05516	0.8
203.03374	0.7
210.14859	0.3
211.07510	0.4
213.05438	0.4
218.05688	0.4
219.06544	0.4
221.04442	0.8
227.07071	0.5
233.09570	0.3
236.06773	0.6
237.05453	0.5
239.06975	0.9
241.05037	0.6
243.10036	1.1
253.04964	0.6
253.08426	0.6
254.05656	0.3
255.06476	0.4
256.07327	1.8
267.06525	1.1
268.07480	0.2
269.08167	0.8
277.08472	0.3
278.09460	0.2
281.05261	0.3
281.08044	1.5
282.05203	0.7
283.05899	0.7
284.06833	4.5
285.07330	0.3
289.08667	0.3
293.04517	0.6
293.08054	0.4
293.11469	0.4
295.05978	1.1
295.09464	0.6
296.10233	0.5
297.07568	1.8
298.04758	5.2
299.09149	32.4
300.09470	0.6
301.06973	0.5
306.09055	0.4
307.09634	0.7
309.04117	0.5
309.07556	3.7
310.04776	1.5
311.09274	0.5
313.07062	12.9
314.07516	0.3
317.07965	0.6
321.11179	0.6
323.05505	1.0
323.09042	0.3
324.06219	0.6
324.09805	0.4
325.07074	3.4
325.10794	1.1
329.06592	1.4
333.07495	0.5
334.08398	1.5
335.09113	0.6
337.07059	7.0
338.07953	1.5
339.08615	0.8
339.12311	0.5
349.10715	2.9
351.08713	0.9
352.09415	8.6
353.09903	0.5
367.11774	100.0
368.12152	2.7
385.12787	7.4
394.79587	0.3
409.12720	0.3
474.68726	0.3
529.16956	0.9
661.21155	0.4
679.51312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
57.72375	0.1
67.05493	0.4
69.03417	0.3
69.07066	0.2
69.68795	0.9
70.06248	0.2
70.06595	3.2
71.06915	0.2
72.08133	0.4
79.05479	0.3
81.03414	0.4
81.07040	0.4
83.04980	0.2
84.08141	0.3
85.02888	0.4
86.09692	0.5
89.06010	0.1
91.05476	0.4
93.07040	0.5
95.04964	0.5
95.08630	0.3
97.02899	1.0
97.06470	0.2
100.11259	0.3
105.07025	0.5
107.04938	0.3
107.08570	0.3
109.02883	0.4
109.10169	0.2
111.04430	0.3
112.07587	0.6
117.03414	0.2
119.04949	0.3
119.08539	0.2
121.06516	0.4
123.11678	0.2
125.09566	0.2
127.03917	0.8
130.04987	0.2
131.08505	0.2
132.05705	0.6
133.06522	0.3
133.10077	0.1
135.04424	0.4
136.07588	0.6
137.02367	0.2
137.05943	0.6
138.03130	0.2
139.03920	0.3
145.02817	0.2
145.10159	0.3
147.04424	0.6
148.40697	0.2
150.05557	0.2
151.03947	0.4
152.01041	0.2
153.05544	0.7
153.06702	0.2
156.07640	0.2
157.06445	0.1
163.03935	0.9
164.07071	0.5
166.02550	0.2
167.03430	0.4
167.07068	0.2
167.65428	0.2
168.05775	0.3
169.01402	0.3
177.05499	0.4
182.07202	0.4
182.15392	0.3
183.08075	1.0
184.03679	2.6
185.05998	0.4
196.05267	0.5
197.05949	0.6
210.06787	0.6
210.14876	0.2
211.07547	1.8
213.05464	0.5
215.10730	0.2
224.04788	0.2
225.05486	0.3
227.07077	1.3
228.07809	0.9
239.07043	2.9
240.07727	0.2
241.04977	0.9
243.10161	3.8
252.04210	0.3
255.06543	0.8
256.07324	6.3
267.06445	0.7
268.07538	0.2
269.04468	0.2
269.08197	0.5
274.12875	0.2
283.06042	1.4
284.06793	15.6
285.07162	0.3
299.09143	100.0
300.09482	2.2
313.07239	0.2
367.11835	1.2
373.13803	0.2
385.12781	0.4
447.02676	0.2
679.27856	0.2
679.40131	0.3
679.51221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
57.72375	0.1
67.05493	0.4
69.03417	0.3
69.07066	0.2
69.68795	0.9
70.06248	0.2
70.06595	3.2
71.06915	0.2
72.08133	0.4
79.05479	0.3
81.03414	0.4
81.07040	0.4
83.04980	0.2
84.08141	0.3
85.02888	0.4
86.09692	0.5
89.06010	0.1
91.05476	0.4
93.07040	0.5
95.04964	0.5
95.08630	0.3
97.02899	1.0
97.06470	0.2
100.11259	0.3
105.07025	0.5
107.04938	0.3
107.08570	0.3
109.02883	0.4
109.10169	0.2
111.04430	0.3
112.07587	0.6
117.03414	0.2
119.04949	0.3
119.08539	0.2
121.06516	0.4
123.11678	0.2
125.09566	0.2
127.03917	0.8
130.04987	0.2
131.08505	0.2
132.05705	0.6
133.06522	0.3
133.10077	0.1
135.04424	0.4
136.07588	0.6
137.02367	0.2
137.05943	0.6
138.03130	0.2
139.03920	0.3
145.02817	0.2
145.10159	0.3
147.04424	0.6
148.40697	0.2
150.05557	0.2
151.03947	0.4
152.01041	0.2
153.05544	0.7
153.06702	0.2
156.07640	0.2
157.06445	0.1
163.03935	0.9
164.07071	0.5
166.02550	0.2
167.03430	0.4
167.07068	0.2
167.65428	0.2
168.05775	0.3
169.01402	0.3
177.05499	0.4
182.07202	0.4
182.15392	0.3
183.08075	1.0
184.03679	2.6
185.05998	0.4
196.05267	0.5
197.05949	0.6
210.06787	0.6
210.14876	0.2
211.07547	1.8
213.05464	0.5
215.10730	0.2
224.04788	0.2
225.05486	0.3
227.07077	1.3
228.07809	0.9
239.07043	2.9
240.07727	0.2
241.04977	0.9
243.10161	3.8
252.04210	0.3
255.06543	0.8
256.07324	6.3
267.06445	0.7
268.07538	0.2
269.04468	0.2
269.08197	0.5
274.12875	0.2
283.06042	1.4
284.06793	15.6
285.07162	0.3
299.09143	100.0
300.09482	2.2
313.07239	0.2
367.11835	1.2
373.13803	0.2
385.12781	0.4
447.02676	0.2
679.27856	0.2
679.40131	0.3
679.51221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03308	0.1
57.03410	0.1
69.03397	0.3
69.47182	0.6
70.06572	0.3
72.08149	0.1
79.05463	0.1
81.03383	0.2
81.07024	0.1
84.08111	0.1
85.02869	0.3
87.00801	0.1
89.83103	0.1
91.05475	0.1
95.04949	0.1
95.08568	0.1
97.02885	0.4
98.21529	0.1
103.62868	0.1
105.07039	0.1
107.04927	0.2
108.02114	0.1
109.02859	0.2
111.04418	0.2
118.04180	0.1
119.04954	0.1
119.08540	0.1
121.06484	0.1
123.00758	0.1
124.01586	0.1
127.03882	0.3
132.05721	0.4
133.06454	0.3
135.04384	0.3
136.07542	0.2
137.05991	0.5
138.03157	0.1
139.03865	0.2
145.02931	0.1
147.04378	0.3
148.05188	0.1
151.03918	0.1
152.01041	0.2
153.06940	0.1
163.03944	0.4
164.07091	0.2
166.02592	0.3
167.03400	0.5
167.04663	0.1
168.05721	0.4
169.01308	0.1
169.06479	0.1
171.04379	0.1
171.07959	0.1
175.03937	0.1
175.14935	0.1
176.04701	0.1
177.05373	0.1
181.06404	0.1
182.07234	0.5
183.08087	1.1
184.03680	2.3
185.05934	0.3
187.07446	0.1
196.05226	0.4
197.05907	0.6
200.08337	0.1
208.05289	0.2
210.06830	0.6
211.07559	1.7
212.08199	0.1
213.05450	0.5
215.06868	0.1
224.04695	0.3
225.05473	0.3
227.07036	1.0
228.07825	0.8
237.05527	0.1
239.04510	0.1
239.07031	3.1
240.07732	0.2
241.04973	1.0
243.10173	4.0
252.04149	0.3
253.04977	0.2
255.06502	0.9
256.07315	6.1
267.06525	0.9
268.07272	0.2
269.04727	0.2
269.08118	0.2
271.09692	0.2
272.92267	0.1
283.06018	1.6
284.06796	16.2
285.07172	0.3
287.05698	0.1
299.09140	100.0
300.09485	2.4
329.06479	0.1
341.10510	0.1
364.37830	0.1
367.11679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07393	4.7
52.39880	4.6
56.84956	4.3
70.08681	13.3
77.54911	5.1
80.63631	4.3
130.75006	4.5
215.84401	4.6
253.13512	5.8
413.53381	5.1
439.70914	5.3
447.17563	7.0
459.21765	17.0
461.19727	5.6
462.20181	4.9
475.21121	19.8
476.22046	8.4
477.23062	9.2
535.23474	11.7
547.26813	9.4
561.24652	13.7
563.26312	17.4
589.23676	7.5
593.26495	6.6
594.26080	5.8
595.25031	11.0
603.26038	4.9
606.28497	36.5
610.27338	6.2
617.64154	4.7
621.27075	46.4
622.27789	100.0
623.27930	15.8
638.26990	18.4
646.26392	9.4
650.29688	5.6
678.29755	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	678.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
55.01860	4.4
55.05518	43.4
57.03444	21.3
57.07060	4.3
65.03934	6.2
65.17149	3.7
67.05515	87.6
69.03423	6.0
69.07085	29.5
70.06609	4.2
71.05000	9.4
79.05499	75.2
81.03420	5.9
81.07069	71.5
83.05006	8.5
83.08617	19.5
85.06541	7.1
87.04462	5.3
91.05487	100.0
93.07054	71.9
95.04946	7.6
95.08624	59.7
97.02921	4.1
97.06544	9.0
97.10183	12.4
98.21451	9.2
99.08129	5.3
103.05416	4.7
105.04445	3.7
105.07043	90.3
106.49510	3.8
107.04971	7.0
107.08600	53.0
108.40633	3.7
109.06535	4.5
109.10186	33.0
111.08056	7.1
111.59510	3.9
115.05445	10.6
116.06211	3.6
117.07032	44.1
119.08591	59.8
121.10154	32.7
123.08102	7.2
123.11731	7.8
125.09661	8.2
128.06215	4.9
129.07040	31.1
130.07828	5.0
131.08594	47.9
133.10162	36.6
135.08075	6.1
135.11725	18.0
141.07045	10.6
142.07762	10.6
143.08595	31.7
144.09312	5.7
145.10156	37.2
147.11703	35.7
149.09708	4.7
149.13289	9.7
155.08649	18.8
157.10121	26.5
159.08144	4.4
159.11716	37.3
161.13271	14.3
163.11238	6.3
167.08563	8.8
169.10115	27.0
171.11693	21.6
173.13266	17.0
175.14799	7.1
178.08020	4.4
179.08543	7.3
181.10208	10.8
183.11720	21.8
185.13258	24.7
187.14886	11.6
193.10159	5.9
195.11737	13.9
197.13292	14.9
199.14899	11.7
201.16487	4.6
203.14322	5.6
207.11774	6.1
209.13228	13.4
211.14796	8.4
223.14857	7.7
225.16376	6.4
235.14929	5.7
237.16454	4.7
241.19705	5.5
257.18982	7.3
259.20544	11.5
275.20087	12.8
283.20374	5.2
333.24472	19.9
353.24695	4.3
447.32278	5.8
472.19498	4.5
513.35834	9.0
515.38782	8.7
533.39673	6.4
539.36993	10.2
553.38940	8.5
607.43817	27.6
625.44476	13.8
679.40582	6.4
695.43481	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
55.01849	1.4
55.05276	2.1
55.05507	10.9
56.91758	1.5
57.03432	6.0
57.07079	3.5
61.02927	23.1
62.28146	1.6
65.03923	2.7
67.05504	63.9
69.03428	4.2
69.07070	13.7
69.33356	1.4
71.04990	2.7
71.08624	1.9
71.35343	3.4
73.02922	8.6
79.05494	42.0
81.03410	2.7
81.07059	68.9
83.08627	5.3
85.02907	27.3
85.06528	1.7
91.03958	22.1
91.05483	26.9
93.07044	55.1
93.07631	3.0
95.04968	3.2
95.08604	54.2
95.11906	1.5
97.02911	9.1
97.06544	3.8
97.10144	4.1
99.04450	2.3
99.08085	2.7
103.03914	1.7
105.07036	21.5
107.08594	34.9
108.15200	1.6
109.06496	2.2
109.10156	30.8
111.08115	1.6
113.09660	1.4
117.07014	9.3
119.08594	14.0
121.10145	32.4
123.11695	18.0
127.03934	9.7
131.08572	20.1
133.10130	15.9
135.11688	24.6
137.09627	3.3
137.13243	6.1
139.11136	2.3
145.04982	10.5
145.10158	14.1
147.11697	11.0
149.13257	23.2
151.11157	3.1
151.14874	3.1
159.11710	13.6
161.13249	9.9
163.06004	19.7
163.14815	14.8
165.12724	3.6
173.13249	20.5
175.14850	3.6
177.16428	6.2
179.14360	3.5
187.14825	6.9
191.14363	1.5
201.16383	2.5
215.17842	2.6
233.22670	4.4
243.21109	31.1
261.22137	100.0
279.23154	2.8
335.25748	17.0
336.95395	1.6
353.26862	30.8
497.30786	2.5
607.76184	1.7
617.22101	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54037	1.7
53.03929	2.7
55.05514	14.8
57.03438	6.1
57.07063	4.3
61.02934	16.8
65.03938	2.6
67.05508	74.4
69.03419	4.8
69.07072	14.5
69.37313	14.1
71.04995	1.9
71.49546	1.4
73.02914	5.9
77.03888	1.7
79.05497	49.8
81.07063	91.2
83.08629	6.7
85.02908	21.1
85.06546	2.6
88.33549	1.5
91.03973	17.8
91.05481	25.9
93.07046	57.3
95.04991	2.6
95.08612	72.8
97.02895	9.7
97.06536	2.5
97.10173	4.7
99.08092	2.7
105.07033	21.9
107.08599	37.7
109.06552	3.9
109.09457	2.9
109.10165	39.3
111.11784	1.7
117.07010	11.5
119.08588	17.4
121.10143	31.9
123.08138	2.2
123.11719	19.5
127.03935	6.9
131.08551	19.8
133.10136	13.6
135.08051	2.2
135.11707	29.4
137.09648	2.3
137.13289	7.9
145.04942	9.8
145.10120	17.9
147.11705	11.4
149.13260	23.7
151.11176	2.1
159.11702	15.6
161.13248	11.8
163.06024	10.7
163.14818	17.2
165.12764	2.1
173.13251	20.4
175.14789	4.1
177.12842	2.8
177.16412	6.5
179.14290	3.2
187.14885	9.2
201.16380	2.9
205.15958	2.9
211.67860	1.6
233.22687	3.6
243.21085	37.1
256.12421	1.7
261.22159	100.0
262.22839	1.6
279.23245	5.4
335.25790	38.1
345.42383	1.8
353.26907	36.8
353.33817	1.6
354.02368	1.6
479.30038	2.0
479.96304	2.0
497.31033	5.9
623.02161	1.7
655.73407	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	677.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
53.65208	0.5
55.01863	2.1
55.05510	0.7
57.03441	3.3
59.04988	0.6
61.02924	3.6
65.03922	0.9
67.05496	1.6
68.99780	1.1
69.03431	17.4
69.07047	1.5
70.01700	1.6
70.06594	5.0
71.01360	0.9
71.04982	2.2
72.08144	1.5
73.02934	2.4
79.05494	2.7
81.03423	7.3
81.07059	2.7
83.01367	0.6
83.05003	0.6
83.08616	0.7
84.08148	0.9
85.02908	34.9
85.06531	0.6
86.09732	0.7
87.04465	2.0
91.03947	1.9
91.05485	4.7
93.07024	1.9
95.04957	1.4
95.08616	1.6
97.02895	17.2
97.06533	2.8
99.04443	3.1
100.80284	0.5
101.02374	0.6
101.79826	0.5
103.05482	0.8
105.07041	2.3
107.04951	1.4
107.08591	1.5
107.59229	0.5
109.02880	5.1
109.10152	1.0
110.03670	0.6
111.04452	0.9
115.05470	1.1
116.06252	0.9
116.07092	0.9
117.03430	0.6
117.07014	1.6
119.04919	1.7
119.08598	1.9
121.06496	0.6
121.10145	1.3
123.04342	0.5
125.05993	1.0
127.03920	11.4
128.06194	1.2
128.07100	1.7
129.06995	2.7
129.10201	0.5
131.04936	1.4
131.08565	2.5
133.02881	0.8
133.06485	0.7
133.10068	0.9
135.04401	0.6
135.08115	0.6
135.11700	0.7
136.07565	0.7
137.06001	1.6
138.03139	4.9
139.03891	1.1
141.06961	1.1
142.07719	1.0
143.08540	1.1
144.05688	1.7
144.88817	0.5
145.02911	0.7
145.04964	10.2
145.06487	1.7
145.10139	1.2
147.04405	5.4
147.11707	0.8
149.09583	0.5
151.03920	0.8
153.05472	78.3
154.05765	1.0
155.08620	1.1
157.06505	1.2
157.10109	1.3
159.04462	1.7
159.08028	3.3
161.06007	0.7
161.09596	1.0
163.03888	3.2
163.06036	0.7
164.07178	0.8
165.05563	1.3
167.07051	1.9
170.07280	0.9
172.05214	0.5
173.05988	7.8
173.09596	0.6
175.07549	1.0
177.05458	2.3
179.07088	2.6
185.05992	1.9
185.09627	3.3
186.06775	2.0
187.07547	61.5
188.08301	12.0
189.09064	1.6
197.06033	0.7
198.06764	3.1
199.07590	5.3
201.09113	54.8
202.09468	1.1
211.07462	0.8
213.09103	21.6
229.08644	1.1
245.82674	0.6
260.96164	0.5
279.71652	0.5
283.05997	0.7
285.07550	1.4
295.09900	0.9
297.03931	1.4
313.11078	0.6
319.13669	0.5
320.10468	0.7
321.11368	1.3
323.09143	0.7
335.12085	0.6
339.08759	1.4
353.13834	100.0
354.14240	2.5
383.11301	4.7
395.14932	0.9
511.32156	0.5
515.19208	2.7
677.24304	20.3
678.25037	1.3
706.21277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.6
55.01884	5.0
55.05513	25.7
57.03427	9.4
57.07066	5.7
59.04966	2.1
65.03918	2.6
67.05505	58.1
69.03411	3.7
69.07070	17.8
69.21438	4.6
69.21839	17.5
71.05000	5.8
71.08621	3.7
79.05493	47.4
79.05953	2.5
81.03413	8.6
81.07063	56.3
82.07370	2.8
83.04979	9.5
83.08640	12.2
85.06543	6.2
91.05487	66.7
92.05808	2.6
93.07049	53.5
95.04985	13.3
95.08610	36.0
97.06524	6.0
97.10183	6.8
98.20756	3.4
105.07041	64.9
107.04967	7.0
107.08601	36.1
109.06506	7.7
109.10167	34.9
111.08080	2.6
113.09615	2.1
115.05441	2.2
117.07034	17.1
119.08586	30.2
121.06497	3.9
121.10156	15.5
123.08080	5.0
123.11695	5.9
125.09644	2.9
129.07013	11.6
131.08569	22.8
133.06424	3.2
133.09137	2.6
133.10130	54.6
135.08090	3.1
135.11703	14.1
136.06197	100.0
137.09598	4.4
142.07776	3.3
143.08577	11.2
145.10120	17.6
147.08047	3.1
147.11694	20.0
149.09656	2.8
149.13283	5.7
151.11174	19.7
155.08565	4.7
157.10150	9.4
159.11699	14.9
161.09647	4.6
161.13324	13.5
161.14400	2.3
163.11165	4.3
169.10191	2.3
171.11697	7.4
173.13303	4.9
175.11250	3.1
175.14841	3.4
179.14354	3.2
183.11761	3.6
185.13310	3.8
193.12401	2.4
197.13277	3.7
199.14798	3.7
201.16267	2.9
211.14763	2.2
215.12640	3.2
218.03206	2.0
223.27849	1.9
225.16310	2.0
231.21034	4.3
241.19412	10.2
244.75963	1.9
245.19049	2.4
253.14357	38.1
257.19031	6.0
259.20593	27.4
267.15833	3.4
273.18497	9.2
277.21439	3.0
291.19531	11.6
315.23068	6.2
333.24323	24.1
335.25858	3.5
339.22958	2.9
355.00931	2.1
365.23264	13.8
406.74106	2.3
511.34314	3.5
529.35254	4.6
575.27008	2.3
609.44513	4.8
623.43359	11.2
641.44080	3.1
676.46265	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	676.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.8
55.01875	6.0
55.05514	18.0
57.03436	5.1
57.07079	5.2
67.05177	2.3
67.05511	32.1
69.03416	5.0
69.07072	18.7
69.26981	6.2
69.27399	12.6
71.08618	2.6
79.05495	26.5
81.03429	10.4
81.07065	29.2
83.04974	3.7
83.08624	9.9
85.06508	2.3
91.05485	30.5
93.07050	28.3
95.04961	7.9
95.08622	18.9
97.02884	6.2
97.06517	3.5
97.10219	9.6
105.07034	26.4
107.04960	4.8
107.08607	15.1
109.06523	2.3
109.10173	9.4
115.21054	1.9
117.07057	9.6
119.08577	17.7
121.06493	2.1
121.10132	11.0
123.08060	3.6
125.09653	6.5
129.07047	6.6
131.08571	10.5
133.10150	14.5
135.08063	2.4
135.11684	7.3
136.06192	100.0
141.06937	1.9
142.07803	2.2
143.08533	3.8
145.06488	2.0
145.10132	7.9
147.11746	10.6
149.09618	2.9
149.13297	3.1
153.07021	2.4
155.08559	4.2
157.10123	4.1
159.11668	6.2
161.13272	8.0
169.10149	3.4
171.11742	5.6
173.13289	3.6
175.14865	4.2
183.11707	3.0
185.13246	2.1
187.14767	3.1
189.11136	4.0
199.14833	2.9
205.12254	2.2
223.13278	6.8
227.12775	4.9
241.19582	6.1
249.14731	2.6
259.20477	14.6
273.18420	6.8
291.19543	50.5
313.27350	4.0
315.23093	3.0
333.24274	21.1
353.95825	2.4
365.23099	12.9
486.97412	1.9
623.43341	10.1
656.81824	2.0
658.45032	3.6
669.83429	2.5
676.46136	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	676.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
54.66727	0.6
55.01872	1.5
55.05517	4.2
57.03429	1.3
57.07066	0.6
59.04998	1.3
61.02910	1.9
64.07161	0.6
67.05502	7.0
69.03430	6.3
69.07074	9.2
69.95906	2.7
70.06586	4.4
70.37363	0.7
71.04979	1.5
72.08136	0.8
73.02892	0.7
79.05487	11.7
81.03412	2.6
81.07061	20.5
82.06573	2.1
83.08626	4.5
85.02907	22.9
87.04460	0.8
91.03962	0.8
91.05464	4.4
93.07043	12.6
93.07619	1.0
95.04964	2.4
95.08607	19.8
97.02892	7.8
97.06527	3.8
97.07058	0.6
97.10164	3.0
98.06066	0.7
98.21385	0.8
99.04445	1.4
99.08129	0.7
100.07561	0.6
105.07036	21.0
105.44260	0.6
107.04975	1.9
107.08595	19.7
109.02872	2.7
109.06527	0.8
109.09458	1.2
109.10154	16.9
111.04467	1.0
111.08086	0.8
111.11713	2.4
116.07123	3.1
117.07008	0.8
119.07796	1.1
119.08588	16.2
121.06497	0.7
121.10149	20.7
123.04416	0.7
123.08042	1.2
123.11718	4.6
125.06000	13.7
125.09639	1.2
127.03935	6.1
128.06218	0.8
128.07091	11.4
129.06972	1.0
131.04947	0.8
131.08586	6.3
133.06468	0.9
133.10136	12.1
135.08078	0.7
135.11696	6.9
137.05968	2.6
137.09590	1.8
137.13249	2.6
141.09135	1.1
143.08585	1.2
145.04964	10.0
145.10120	12.3
147.04387	1.1
147.08018	1.5
147.11687	10.1
149.13263	8.1
151.07515	2.0
153.05420	1.0
155.08522	1.3
155.10632	1.1
157.10117	2.7
159.08015	0.9
159.11665	7.1
161.09590	3.1
161.13246	5.3
163.03908	0.9
163.06064	3.3
163.07225	0.7
163.11241	0.7
163.14827	1.9
165.12708	0.7
167.03737	0.6
169.10165	1.9
171.11734	3.2
173.09721	1.1
173.13263	9.6
175.11169	4.9
175.14838	4.2
177.09071	0.9
177.16408	2.1
179.10660	2.5
180.08722	1.9
183.11719	1.6
185.13359	0.9
187.11218	1.3
187.14833	5.0
189.12788	1.0
189.16385	12.1
191.10655	1.4
193.12254	4.1
197.13205	3.3
199.11179	0.7
199.14967	0.7
201.12737	3.1
201.16364	1.7
202.08485	0.7
205.12181	1.6
207.13780	3.9
211.14903	1.4
213.16293	1.0
215.14392	1.6
219.13837	3.5
221.15332	1.4
227.18033	1.4
229.19493	4.7
233.15392	2.3
243.21106	13.4
253.19524	5.8
269.08203	0.7
270.08447	0.9
271.20569	18.1
281.18881	1.3
285.07541	1.0
289.21625	31.8
297.04269	0.8
299.20071	5.0
317.21112	100.0
318.21500	3.4
332.13199	1.1
335.22159	34.3
336.22305	0.7
350.14447	0.7
352.12625	0.8
383.11459	2.3
443.24121	3.9
461.25201	5.1
479.26315	1.5
640.40094	2.2
658.41260	1.4
676.42358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.6
55.01874	5.0
55.05508	10.8
57.03433	9.0
61.02928	19.9
67.05512	26.9
69.03417	7.5
69.07066	13.8
70.06595	3.9
70.84248	4.4
70.84579	4.4
71.04992	3.9
73.02910	7.9
79.05508	34.6
79.33717	2.7
81.03425	7.6
81.07060	35.8
83.04985	6.0
83.08630	7.4
85.02919	26.4
85.06534	4.3
91.03955	15.3
91.05497	38.1
93.07044	46.3
95.04961	8.1
95.08612	25.8
96.27876	3.1
97.02888	15.3
97.06550	6.0
97.10152	3.4
105.07034	34.7
107.04965	3.8
107.08596	28.7
109.06503	6.3
109.10152	16.0
111.08092	4.8
115.03928	3.5
117.07006	14.5
119.08581	35.1
121.10168	24.9
123.11728	4.8
127.03916	9.6
129.07037	9.5
131.08580	15.6
133.10141	33.3
135.08023	3.7
135.11678	20.7
143.08580	11.1
145.04999	5.7
145.10132	17.0
147.11664	21.5
149.09645	4.2
149.13283	16.4
155.08548	3.7
157.10158	12.4
159.11705	11.8
161.13269	18.3
163.06024	6.2
163.14835	5.3
171.11682	13.1
173.13251	11.3
175.11208	3.9
175.14813	12.2
178.07732	3.2
182.31984	2.6
182.49245	2.8
183.11581	3.7
185.13246	8.3
196.47322	3.0
199.14899	6.9
209.13089	3.2
217.19537	3.5
231.21005	6.5
241.19513	24.6
259.20547	49.7
277.21552	8.2
301.15176	2.9
333.24173	11.5
334.78397	2.9
351.25305	100.0
352.25598	3.8
363.25104	6.3
367.22440	6.3
375.25272	4.4
398.34329	3.1
441.26215	8.0
459.27417	6.8
477.28281	8.0
495.29529	12.3
632.70178	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	675.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
61.02928	0.6
67.05515	1.0
69.87922	2.0
71.08635	0.7
79.05485	1.0
81.03383	0.7
81.07067	1.0
91.05475	0.8
93.07066	0.9
95.08618	0.7
97.02903	1.0
99.08096	0.8
105.07073	0.7
107.08604	0.5
119.08595	0.5
121.10139	0.5
135.11728	0.8
179.14343	1.8
277.21704	1.5
316.43945	0.4
351.25201	1.1
439.13702	0.5
445.18872	0.4
453.15543	0.5
454.16711	0.4
455.17807	0.6
467.18018	0.6
468.14377	1.4
469.14969	8.5
470.15857	1.6
471.16599	0.6
481.14465	2.6
482.15887	10.0
483.16693	10.1
484.17236	1.7
485.18390	0.9
495.16998	2.3
496.17471	5.9
497.18280	38.6
498.18741	4.6
499.20120	0.9
500.16870	0.6
509.16821	0.4
510.19016	2.3
511.19778	5.3
512.20856	2.0
513.18475	0.6
515.19440	2.1
523.18280	0.4
525.17462	0.5
528.16364	2.2
538.19940	0.4
539.19897	0.6
541.17444	1.0
542.17615	2.5
555.18701	2.5
556.19775	3.2
557.20154	3.6
569.20111	0.6
573.22278	0.5
616.21436	0.9
617.22113	0.5
643.24115	5.8
644.24689	6.6
645.23682	1.2
657.25775	6.8
658.25928	0.8
660.23981	0.6
675.26642	100.0
676.26959	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	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72896	0.4
57.03440	0.4
58.09059	0.3
65.63373	0.4
67.03038	0.4
67.52602	0.5
69.07062	0.5
71.47251	0.9
81.03455	0.4
81.07069	0.6
84.55944	0.4
85.02869	0.4
85.76989	0.5
94.26991	0.4
105.07013	0.5
133.10063	0.4
151.97804	0.5
153.05569	0.5
160.20381	0.4
165.09181	0.4
311.21439	0.4
425.16354	0.7
429.15469	1.0
430.16776	0.5
441.19385	1.4
443.17062	0.6
444.18008	1.3
445.18716	1.8
455.13062	0.5
456.13980	0.9
457.15439	1.7
467.17352	1.6
469.14166	2.5
470.15982	1.9
471.16492	3.2
472.17642	1.5
480.14194	1.3
481.14865	2.2
482.15820	3.5
483.16833	3.7
484.17603	1.0
485.18265	4.3
494.15884	0.6
495.16708	9.3
496.17398	4.8
497.18365	9.6
498.18936	1.4
499.19269	0.5
502.18356	0.6
510.19031	0.6
511.20203	0.6
513.17737	2.1
515.19446	0.9
527.19543	0.6
529.20886	1.3
539.19269	0.5
541.17743	0.6
545.24036	0.5
555.18610	8.5
556.19421	1.6
557.20502	0.7
573.24292	3.2
583.21936	0.8
585.22760	0.9
617.22339	3.3
627.21753	0.8
643.24219	4.0
644.24908	1.6
645.22278	2.7
657.25977	0.7
660.24316	4.8
675.26642	100.0
676.26709	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	674.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.8
55.05502	1.7
57.07078	65.6
59.05005	15.2
67.05505	1.8
69.03411	0.7
69.07066	2.0
69.32408	5.8
69.90576	0.6
71.08635	56.6
73.06561	4.0
81.07066	1.3
83.08624	2.4
83.49561	0.6
85.06531	1.2
85.10186	56.2
87.04472	14.1
89.06034	100.0
91.05411	0.9
91.07574	0.7
93.07063	1.1
95.08630	1.2
97.10179	0.8
99.11743	4.8
103.07599	6.4
105.07029	1.0
107.07095	3.8
107.08615	0.9
111.11733	0.8
117.07012	0.7
117.09147	4.0
118.69530	0.8
123.03156	0.6
128.46539	0.6
130.08656	2.4
131.07062	5.5
131.10716	0.9
133.08607	76.5
141.16371	4.7
145.10167	0.8
161.11823	1.2
175.09650	4.8
177.11232	29.6
199.20561	6.3
209.69899	0.7
219.12354	1.6
221.13882	5.6
239.15018	1.2
243.23198	4.2
265.16565	1.3
267.18094	0.8
283.17346	1.4
309.19000	0.9
327.20120	1.6
371.22900	1.7
415.25330	1.5
441.27026	1.0
459.28082	7.9
499.31207	1.9
657.47638	1.5
674.50543	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.8
57.03434	3.8
57.07080	100.0
58.04213	7.1
59.05006	45.7
63.71562	1.9
68.05082	2.0
69.07061	4.4
70.86968	2.4
70.87299	4.4
71.08638	74.0
72.05778	5.1
73.02909	3.2
73.06538	7.6
79.05488	3.3
81.07026	6.3
85.10188	56.5
86.07341	3.2
87.04465	6.0
87.08080	2.8
89.06013	10.0
90.01930	18.0
91.05506	3.5
95.04987	2.4
95.08607	2.9
97.06603	2.2
97.10150	4.0
99.11743	10.4
101.06048	2.2
101.09663	3.9
103.07562	5.2
105.07045	2.6
106.23035	2.2
109.10119	2.4
115.07602	3.1
117.09137	14.7
119.08627	2.4
123.08081	1.9
133.08583	7.1
152.15622	2.9
155.17921	7.4
177.11301	2.4
180.67609	2.1
183.17520	4.0
192.14745	2.1
213.22208	10.2
222.09726	3.9
271.26291	12.5
281.19580	3.2
297.66418	2.1
328.15903	2.7
368.26431	2.6
389.33408	2.1
410.16672	2.2
434.38449	4.8
522.43634	8.6
595.19147	10.0
623.18390	2.4
655.21643	19.4
673.47992	2.7
688.83685	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	672.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01871	0.3
55.05309	0.4
55.05516	4.0
57.03192	0.4
57.03443	4.3
57.07079	36.4
59.55970	0.3
61.02930	12.2
67.05508	10.7
69.03451	1.6
69.07072	7.0
71.04987	0.5
71.08634	29.7
71.55060	0.3
73.02927	5.1
75.04489	2.7
79.05480	0.9
81.03401	0.8
81.06580	0.7
81.07059	13.3
83.08621	10.1
83.60064	0.4
85.02908	13.7
85.06539	0.7
85.10183	17.9
87.04462	0.4
89.06038	0.8
91.03406	0.6
91.03956	12.2
93.07059	0.9
95.08607	23.1
95.37576	0.4
97.02897	6.6
97.06533	0.6
97.10174	6.5
99.04451	0.9
99.08079	0.4
99.11721	1.2
103.07585	0.8
109.02827	0.6
109.09462	0.7
109.10162	11.0
109.10915	0.6
111.11692	1.3
115.03928	1.0
123.11716	4.5
125.13264	1.1
127.03897	5.0
137.13254	2.0
139.14807	0.5
145.04961	5.8
151.14807	0.5
157.78754	0.4
162.84322	0.3
163.06027	8.8
165.16356	0.4
165.58496	0.3
166.45665	0.4
170.69681	0.4
206.60448	0.4
221.22659	1.2
239.23708	23.3
240.24106	0.7
257.24747	4.6
313.27362	100.0
314.27667	2.6
331.28418	25.6
332.29092	0.6
379.44141	0.4
475.32541	2.2
637.37469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01865	0.9
56.79729	0.3
57.02784	0.3
57.03451	0.3
57.05817	0.6
58.06594	0.5
65.03930	0.7
69.03434	3.1
70.06602	0.3
71.01575	0.3
81.03426	8.6
85.02902	2.5
88.03992	1.0
91.05486	0.5
93.03390	0.9
94.82404	0.2
97.02899	2.0
99.04440	0.6
107.01358	0.5
107.04966	1.9
109.02879	3.7
111.04443	5.6
119.04985	0.5
120.08112	0.7
123.04421	0.5
127.03932	3.8
128.07097	0.5
135.04430	7.4
137.02351	100.0
138.02681	1.2
139.03905	10.6
145.04927	0.6
147.04370	0.3
148.07581	0.8
151.06303	0.6
155.03394	3.6
157.83722	0.3
163.03954	2.3
166.08647	32.0
167.08994	0.6
181.04970	9.8
212.09187	63.9
213.09604	1.0
254.10246	0.4
281.06567	5.9
299.07608	4.7
302.10260	1.1
328.14035	0.4
374.14340	1.4
381.37064	0.3
492.15176	0.5
510.16080	11.9
511.16632	0.4
626.20868	0.4
636.19458	0.4
654.20410	0.4
672.21289	9.9
673.22058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.197
Annotation	Picramnioside F
Peak:m/z	Relative Intensity
53.03926	0.8
54.92643	0.2
55.01852	0.6
55.05489	0.5
57.03406	1.0
57.07072	0.3
61.02921	1.3
61.69299	0.3
67.05469	0.8
69.03427	3.5
69.07045	0.5
69.27044	0.5
69.27449	2.1
70.06590	1.7
71.04961	0.6
71.06904	0.3
72.08129	0.7
73.02883	0.6
79.05467	0.8
81.03432	1.9
81.07079	1.3
82.84364	0.3
83.04961	0.5
83.08484	0.3
84.08125	0.5
85.02448	0.4
85.02910	5.3
85.06512	0.9
86.09698	0.4
87.04455	0.6
87.20716	0.3
89.03911	1.5
91.03915	0.6
91.05476	2.3
93.03356	0.4
93.07040	1.6
95.01315	0.4
95.04946	1.2
95.08560	0.7
95.59596	0.3
97.02895	6.8
97.06524	0.5
98.03204	0.5
99.04441	0.7
102.04611	0.4
103.05466	2.7
105.07024	1.9
106.02925	0.4
106.04164	0.7
107.04925	0.7
107.08628	0.7
109.02841	1.3
109.10143	0.8
115.03860	0.3
115.05453	0.6
117.03378	3.3
117.07036	0.4
118.04173	1.6
119.04902	0.8
119.08543	0.5
121.06503	2.4
121.10098	0.7
123.00782	1.5
123.04360	0.4
123.08014	0.4
124.03931	0.6
125.06006	0.4
127.03923	1.7
128.06166	0.3
128.07019	0.3
129.06958	0.6
130.04112	0.9
131.04932	3.1
131.08575	0.4
132.05670	0.9
133.06476	1.2
133.10052	0.3
134.03671	1.9
135.04416	0.8
137.02307	0.5
137.05943	1.2
137.09616	0.3
139.03946	0.5
139.05354	0.3
139.07581	0.3
144.05673	0.5
145.02847	2.7
145.04800	0.3
145.06525	0.7
145.10083	0.5
146.03584	0.4
147.04422	1.6
147.05377	0.3
148.05150	1.1
149.06012	2.2
151.03870	0.8
152.01044	1.7
153.01759	0.9
153.05385	0.8
154.06201	0.7
155.04906	4.8
159.11623	0.3
160.05168	0.6
161.05986	3.6
162.28145	0.3
163.03912	1.2
163.07372	0.5
165.05495	0.3
165.09135	2.2
167.07034	3.2
170.02049	0.9
171.04422	0.8
172.05220	0.8
173.06018	0.4
175.03835	0.4
176.04689	2.0
177.05475	2.7
178.06192	0.4
179.06987	0.5
181.08585	0.8
182.09334	0.8
183.04420	4.5
184.05167	0.7
185.05928	0.8
187.07559	2.2
187.14839	0.3
191.07042	3.9
192.07759	0.7
193.08569	2.3
195.06529	0.7
196.05177	0.4
197.06017	0.4
199.07573	0.3
200.04681	1.6
202.06270	0.3
205.12160	0.4
207.06506	0.8
209.08054	1.2
210.08858	1.1
211.03897	3.9
212.04620	0.8
213.05399	0.7
220.06227	0.3
225.05423	0.9
228.04152	2.0
229.05067	0.7
239.03394	4.6
240.04097	1.3
241.02773	0.4
241.04895	1.9
243.06522	0.6
245.08060	0.4
253.05003	0.5
255.02930	0.6
255.06476	0.4
256.03659	7.6
256.07233	1.4
257.04294	0.5
267.02771	0.3
268.03668	0.5
269.04544	1.4
271.06009	81.0
272.06345	1.4
284.06741	0.3
285.03979	0.8
285.07532	0.6
285.12390	0.6
286.04736	3.5
297.07535	0.7
299.05496	39.1
300.06265	8.4
301.07050	18.0
302.07254	0.5
311.05475	0.5
325.07129	0.4
339.12369	0.3
341.06464	0.6
351.36493	0.3
355.08176	0.5
368.46274	0.3
403.72723	0.3
435.10764	0.3
458.10144	0.3
473.29077	0.6
479.13419	3.8
491.13358	18.5
491.29495	0.5
492.13950	0.7
509.14426	100.0
510.14835	3.7
551.15765	0.4
561.95428	0.4
671.19403	0.7
698.17877	0.5
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
50.71341	0.6
64.00981	0.6
67.05498	1.3
71.55764	1.1
81.07065	1.3
91.05499	1.0
93.07078	0.7
93.89745	0.7
98.46954	0.6
105.07043	1.0
106.65858	0.6
107.08602	0.8
109.31966	0.7
123.11742	0.7
244.67625	0.7
391.19495	1.1
393.20868	2.4
405.17203	1.9
405.21536	1.0
406.17862	0.9
407.18170	0.8
418.17517	0.8
419.18570	3.9
420.19601	4.1
421.20367	6.3
433.15558	0.9
433.20456	2.9
439.69806	0.7
445.20609	1.2
447.18289	2.4
448.18588	4.6
449.19806	5.5
461.19623	2.3
462.20499	1.8
463.17123	1.0
473.19974	1.3
475.21930	1.0
476.18369	1.4
477.19617	2.9
489.19260	1.9
490.20120	0.8
491.20630	2.2
503.20670	1.6
507.24371	5.6
522.66370	0.8
523.23260	1.1
535.23450	11.5
536.23920	1.0
539.22913	0.7
549.25281	3.5
563.22876	16.5
564.23303	1.0
567.25659	1.1
577.24078	5.0
578.25403	1.2
579.25940	1.0
581.28076	1.6
595.25513	4.3
609.26874	5.1
619.25964	1.0
623.24988	4.5
637.26721	2.3
641.29663	1.9
669.29224	100.0
670.29675	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	670.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.05516	31.7
57.03437	10.7
57.07078	19.8
61.02933	20.9
67.05508	15.1
69.03426	3.8
69.07073	59.4
69.91338	4.8
71.08632	17.6
73.02908	8.4
75.04482	2.2
79.05500	12.2
81.03412	2.4
81.07055	21.7
83.08143	2.4
83.08621	41.0
85.02913	29.6
85.06553	2.4
85.10197	7.9
91.03962	21.2
93.07053	15.7
95.04945	1.5
95.08610	14.6
97.02901	12.5
97.06537	8.7
97.10178	42.6
98.20787	1.7
99.04443	2.7
105.07033	3.3
105.37888	1.3
107.01243	1.2
107.08614	12.0
108.37939	1.2
109.10135	7.0
111.08089	4.4
111.11726	12.2
113.74356	1.4
115.03969	1.5
115.07596	1.8
119.08597	1.6
121.10146	24.6
123.11680	6.8
125.09640	4.3
125.13261	2.5
127.03944	7.8
129.09126	2.6
135.11696	20.0
137.13251	5.2
139.11189	4.3
145.04971	10.9
149.13234	9.3
153.12730	2.8
163.06029	12.6
163.14812	6.3
181.15863	2.0
185.15277	2.0
219.21056	25.1
237.22147	37.9
255.23201	38.1
311.25824	100.0
312.26093	2.1
329.23123	2.4
329.26917	35.9
473.30933	7.1
670.29553	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	669.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
53.64019	1.0
55.05513	1.3
57.03425	2.3
61.02920	2.9
63.10988	1.2
64.25424	1.0
67.05489	2.2
69.03432	11.7
69.07024	1.1
69.97073	5.4
70.06578	3.8
71.04993	2.6
72.08147	3.6
73.02914	2.2
73.17206	1.1
79.05494	3.2
81.03422	13.6
81.07037	3.2
84.08138	1.2
85.02910	54.6
91.05466	2.9
93.07050	3.1
94.04203	2.9
95.04980	4.6
95.08606	2.5
97.02299	1.2
97.02906	21.2
99.03842	2.0
99.04459	29.0
103.03947	66.9
103.05442	4.7
105.03430	2.0
105.07017	4.3
107.04926	2.3
107.66921	1.1
109.02881	13.7
109.10150	2.2
111.04427	2.5
119.04937	1.5
121.06521	3.5
121.10120	1.5
122.03642	4.4
124.03941	1.2
127.03925	72.5
128.07043	2.0
129.07011	1.7
130.05032	1.3
131.04924	9.1
131.08508	1.4
133.06496	15.8
133.10150	1.5
135.08035	3.8
137.05986	100.0
138.06250	1.1
143.08524	2.8
145.04967	38.3
145.06209	2.4
146.05994	1.3
147.04379	6.3
149.05997	1.2
151.07567	7.2
157.06459	1.9
158.09602	1.8
159.08060	1.9
161.05959	2.7
162.06764	1.1
163.03915	2.7
163.04590	1.1
163.06017	22.0
163.07533	21.6
168.08128	1.4
171.08031	1.9
174.06732	1.4
175.07538	2.9
177.05409	1.9
177.09164	1.9
181.04880	1.5
181.08553	1.9
187.06055	2.5
187.07582	3.2
189.09108	4.9
201.09174	1.6
203.07066	1.4
203.10703	5.5
205.07011	3.8
219.10136	2.0
233.11763	1.4
247.09737	1.4
249.11240	6.5
253.07089	1.4
263.10690	1.8
271.08093	3.0
287.05658	1.2
289.06088	1.2
289.09113	2.5
295.13358	9.3
307.10199	2.7
323.12689	1.7
327.15955	15.9
351.15829	3.3
369.16895	2.5
393.16983	1.2
489.25787	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
57.03444	0.5
58.28720	0.4
67.05508	4.1
69.07066	1.3
69.54890	1.1
69.55316	2.3
79.05491	2.0
81.07055	3.2
83.08602	0.6
85.75941	0.5
91.05485	1.5
93.07055	2.8
95.08612	3.1
97.10139	0.5
105.07053	0.6
107.08613	1.7
109.10157	0.8
113.02461	0.4
117.07014	0.7
119.08602	1.3
121.10117	0.8
131.08612	0.6
133.10170	0.7
135.11708	0.8
140.86412	0.4
143.08621	0.6
145.10124	0.6
230.56764	0.5
247.13237	0.9
283.45102	0.6
303.15610	0.8
329.70950	0.6
333.20383	9.5
335.25873	0.6
389.22876	4.4
581.37994	1.4
640.77808	0.5
667.45459	100.0
668.46014	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	668.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01884	1.4
55.05515	8.0
57.03188	1.0
57.03443	13.8
57.07055	1.4
59.04994	3.6
60.17652	0.8
61.02924	1.4
64.57796	1.0
65.03933	3.4
67.05510	76.0
69.03440	3.9
69.07071	4.6
70.06581	1.6
70.90456	2.0
71.04987	3.4
72.08155	2.2
79.05501	10.3
80.61278	0.8
81.03423	57.2
81.07064	15.9
83.04974	2.8
83.08144	1.1
83.08625	17.2
84.04459	0.8
85.02898	5.0
85.06539	2.7
91.04962	1.4
91.05488	16.0
93.07035	6.9
95.04976	18.3
95.05560	1.5
95.08619	6.9
97.02888	3.8
97.06532	3.2
97.10178	2.0
103.05438	0.8
105.07026	8.8
107.04960	4.0
107.08617	6.2
108.97784	0.8
109.02863	1.1
109.06521	2.8
109.10162	72.4
110.10492	0.9
111.04465	1.7
111.08075	7.5
115.05485	0.8
116.07044	1.3
117.06967	1.2
119.08582	14.2
120.08044	0.9
120.54714	1.0
121.06499	3.5
121.10132	4.1
123.08070	1.5
125.09634	2.4
127.03897	1.7
129.06989	4.8
129.27704	0.9
131.08572	6.5
133.06505	2.7
133.10167	5.4
135.08058	1.2
135.11649	1.4
136.07567	1.1
137.05881	1.2
137.09610	4.4
142.07797	2.3
145.10135	2.1
147.04431	1.8
147.08044	2.3
147.11714	5.0
149.09599	3.2
153.05492	1.8
155.10637	4.9
157.10152	6.5
159.11664	1.5
161.05989	1.1
163.03957	2.0
163.11148	2.3
171.11662	1.0
173.09543	1.0
173.11751	22.6
175.11180	6.8
177.05505	1.1
185.13210	0.9
187.11140	0.9
189.12695	1.0
193.12247	18.5
193.13873	1.6
211.13318	2.9
229.14368	98.4
229.64713	0.9
230.14674	1.5
249.14861	2.5
267.15933	88.8
268.16263	1.9
301.14377	1.8
329.21155	3.3
403.24774	10.8
421.25858	100.0
422.26111	4.2
451.20978	1.1
463.26953	1.9
547.29193	1.3
668.41321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71232	2.4
67.05513	4.7
69.03437	6.6
71.56806	3.0
93.07096	3.2
96.51326	2.6
112.07590	7.7
114.54156	2.4
117.20752	2.5
130.58003	2.7
140.07031	6.5
154.05893	2.8
158.08235	3.7
188.62563	2.6
190.27731	2.8
196.90500	3.2
201.97771	2.7
375.57764	2.9
377.17664	3.3
388.17111	3.3
389.17917	5.7
390.18149	4.7
391.19238	10.6
395.14700	2.9
405.20978	9.4
417.20920	3.8
419.17648	3.4
419.22690	4.5
428.15457	2.8
433.20248	8.1
435.18048	5.4
442.94196	2.5
447.21646	3.7
449.19684	6.5
461.19724	4.2
463.21524	6.2
465.22769	7.6
473.19839	5.9
479.20889	5.3
487.21579	5.5
493.22009	38.3
501.19650	7.5
505.18173	3.2
515.20990	8.5
516.21838	3.4
521.25360	13.6
525.12354	3.2
533.21747	4.1
547.23395	9.2
551.26501	11.2
565.24292	29.7
575.23114	12.4
579.25970	24.4
580.26801	100.0
581.27734	3.6
589.25165	3.7
607.25549	60.2
635.25165	38.1
636.24738	3.6
639.28003	5.7
649.26270	13.6
667.27679	94.2
668.27527	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	667.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55750	1.6
54.16586	1.8
57.07057	2.1
57.76716	1.9
67.05508	2.8
71.56506	2.7
81.07050	3.5
87.33781	1.5
93.07069	3.2
107.08608	2.0
109.10188	2.5
119.08556	2.3
253.09674	2.3
290.66107	1.8
314.97092	1.7
377.17682	5.6
378.39313	2.4
391.19116	7.5
392.19931	5.1
405.20679	6.6
407.22238	9.5
419.18289	4.6
433.20160	4.0
434.20914	3.3
435.21890	10.0
449.19534	2.2
451.21411	6.3
459.17935	5.5
465.22964	4.3
473.19882	4.2
474.20120	2.3
477.19162	2.4
479.20743	34.8
489.22751	5.5
493.22366	5.1
494.22818	2.7
502.20325	2.7
505.18500	6.8
515.20691	6.5
516.20911	2.6
517.22345	69.2
518.22656	4.1
521.25610	3.7
549.24988	68.9
550.24921	3.3
565.24542	4.0
575.23029	9.7
593.24133	12.2
607.25275	7.8
608.26074	15.7
635.24994	100.0
636.25354	4.6
666.43054	2.9
667.27130	43.4
667.36450	2.3
667.44867	4.5
668.27209	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	667.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01862	2.4
55.05498	1.6
57.03433	1.4
59.04996	1.1
61.02916	1.6
67.05492	1.2
69.03429	11.9
69.07057	1.6
69.36856	8.2
70.06580	4.0
71.04982	4.0
71.35561	0.8
72.08151	2.6
73.02899	2.8
75.87910	1.0
79.05478	2.8
81.03421	14.5
81.07040	1.6
83.04973	2.9
85.02906	60.6
87.04456	3.1
89.06039	22.8
90.06365	2.2
91.05470	3.6
93.07035	1.1
95.04943	1.1
95.08594	1.4
97.02277	1.6
97.02888	23.1
97.06512	1.2
98.06023	0.9
99.04458	34.6
103.03946	77.2
105.07024	1.7
107.04967	1.2
107.08575	1.3
109.02879	12.6
109.10169	1.6
111.05614	1.1
115.03985	0.9
115.05470	0.9
117.03352	1.1
117.06969	1.3
119.04920	1.5
119.08594	2.4
121.10140	1.4
121.54751	0.9
122.06004	1.8
127.03921	79.6
128.06232	1.5
128.07104	1.1
129.06995	7.3
131.04883	2.3
131.08574	6.4
133.06429	1.0
133.08614	11.5
133.10107	1.5
134.08925	2.5
135.04489	1.3
136.07573	2.3
137.05960	9.1
140.07036	1.1
141.06981	5.2
143.04854	1.2
143.08530	1.7
145.02748	1.6
145.04959	42.5
146.06064	1.0
147.04437	4.5
149.05988	2.7
151.03957	4.9
151.07524	2.1
153.05440	1.5
157.06516	6.0
158.07277	1.4
159.08060	4.7
160.05180	1.0
161.05930	2.2
161.09637	0.9
163.04021	5.7
163.06024	30.4
163.07385	1.9
163.11157	1.4
164.07057	3.6
166.08659	3.1
167.07008	3.4
169.05072	1.1
169.06462	3.2
171.08043	2.1
173.05986	1.5
173.09552	0.8
174.05397	1.3
174.06773	11.3
175.07582	4.5
175.14780	1.7
177.05510	1.4
177.11211	4.8
177.12605	0.9
178.11497	1.5
181.04991	2.1
186.06749	3.6
187.06006	4.5
187.07484	1.9
189.09103	23.9
191.06999	1.3
191.10654	2.4
195.06451	1.2
201.05458	1.1
201.09128	10.2
203.08463	0.8
203.10693	5.9
205.07053	2.8
207.10054	1.8
209.05571	1.2
209.08087	2.0
219.10167	100.0
220.10510	2.0
233.08081	1.1
239.11885	1.4
249.10339	1.1
251.11574	2.0
263.11710	2.9
265.09705	1.5
265.13321	7.3
271.07999	2.9
277.09842	1.4
279.11331	7.6
283.07910	1.1
283.17285	1.1
287.05276	6.1
289.09174	1.5
291.10959	1.5
293.12772	1.3
297.12247	4.8
305.08539	0.9
307.10040	4.3
309.12415	10.4
310.13110	2.4
311.13873	4.4
319.10696	1.1
337.11758	19.3
338.12585	4.4
339.13303	3.3
341.13605	1.0
353.14255	1.3
364.85913	0.9
369.14313	3.6
370.14874	2.0
371.15805	1.1
384.87112	1.1
401.12308	1.4
452.21707	7.2
478.19775	8.4
494.19073	1.4
496.20425	1.0
510.22345	9.3
516.69965	1.2
575.24652	1.6
592.36951	1.2
599.24884	1.5
617.25623	1.3
635.26825	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	667.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78474	0.9
53.03944	4.7
55.01881	1.7
57.03432	3.0
59.05008	1.3
61.02906	2.2
63.43672	0.9
67.05513	1.1
69.03436	11.9
69.07069	2.5
69.39164	7.3
70.06613	4.2
71.04990	3.6
72.08159	3.1
73.02915	2.9
77.01410	0.8
79.05493	2.1
81.02978	1.2
81.03426	13.3
81.07059	3.3
83.04983	2.7
84.08165	1.1
85.02911	66.3
86.09724	1.0
87.04469	4.3
89.03939	1.1
89.06039	24.5
90.06368	2.4
91.05497	2.7
91.10371	1.0
93.07046	1.8
95.04990	1.6
95.08617	2.3
97.02902	19.6
97.06552	1.1
98.21523	1.0
99.04462	40.2
103.03951	83.9
103.05385	2.0
105.07043	2.0
107.04967	2.4
107.08595	1.4
109.02886	14.9
109.06512	0.9
109.10217	1.4
111.04461	1.0
115.03938	1.9
115.05479	2.4
117.03413	1.0
117.07021	1.4
118.99084	1.1
119.04970	1.2
119.08573	2.3
122.06020	1.2
127.03929	85.2
128.06216	1.9
129.07047	6.6
131.04958	1.9
131.08594	6.7
133.04965	1.3
133.08615	12.4
133.10158	2.3
134.08975	1.5
135.04434	2.0
135.11674	1.2
136.07570	2.9
137.05983	9.5
140.07080	2.2
141.07013	4.7
143.08589	2.0
145.04968	43.0
145.06517	2.0
147.04419	3.8
148.07643	1.3
151.03908	6.0
151.07593	2.3
153.05443	1.1
157.06476	4.6
158.07257	2.0
159.08058	6.7
160.05139	1.9
161.05988	2.1
161.09622	1.6
163.04007	7.4
163.06036	33.2
163.07391	1.3
164.07132	4.5
166.08662	3.0
167.07072	4.2
169.05072	1.1
169.06470	2.7
170.07248	1.8
171.08038	2.2
172.04004	1.0
173.06027	1.3
174.05438	1.7
174.06783	13.1
175.07556	4.9
175.14716	2.1
177.05492	2.1
177.11191	4.7
181.04987	1.6
186.06769	3.6
187.06047	5.1
187.07524	2.0
188.08327	1.4
189.09135	28.5
191.07056	1.0
191.10649	3.4
195.06508	0.9
201.09125	11.4
203.10680	8.8
205.07077	4.1
207.10112	1.6
209.05511	0.9
217.08685	1.0
219.10184	100.0
220.10616	1.4
221.94540	0.9
239.12022	1.3
247.07733	1.4
251.11824	2.2
263.06882	1.0
263.11792	3.0
265.10138	0.9
265.13422	5.9
271.08112	3.5
277.09341	1.4
279.11432	8.2
281.12610	1.3
287.05380	6.2
289.09146	2.2
293.12506	1.0
295.10837	0.9
297.12241	3.1
299.12628	0.8
307.10150	4.2
309.12445	8.9
310.13062	3.3
311.13815	4.8
315.84796	0.9
319.10837	1.3
321.12000	1.0
325.14594	1.4
337.11813	16.7
338.12708	4.7
339.13403	3.5
341.13840	1.5
353.13937	1.5
369.14496	3.7
370.14761	1.2
371.16089	1.8
451.16986	1.1
452.21973	7.2
478.19669	8.1
496.20584	1.6
510.22369	7.0
622.97675	1.1
635.26862	3.4
642.34607	1.0
667.27374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18967	0.1
53.03947	0.1
53.25499	0.1
55.01875	0.1
55.05505	0.1
57.03431	0.4
59.41344	0.1
61.02918	0.1
67.01865	0.5
67.05497	0.1
68.99784	0.3
69.03075	0.1
69.03432	1.6
69.07056	0.1
69.32939	0.5
70.06587	0.4
71.04984	0.1
72.08147	0.2
73.02917	0.1
79.05491	0.2
81.03423	0.6
81.07062	0.1
83.04977	0.2
84.08146	0.2
85.02428	0.1
85.02910	1.7
86.06056	0.1
86.09692	0.1
87.00827	0.4
87.04469	0.6
89.03914	0.2
93.07057	0.1
95.04956	0.2
95.08590	0.1
97.02898	1.4
99.04460	0.5
99.46182	0.1
103.03947	0.6
105.01850	0.2
107.04945	0.2
107.08583	0.2
109.02895	0.6
109.10165	0.1
111.04430	0.3
115.03941	0.6
117.03376	0.2
119.04940	0.1
123.04419	0.1
125.02332	0.1
127.03922	1.3
129.01848	0.2
129.05464	0.1
131.08574	0.1
133.04947	0.5
133.10121	0.1
135.04419	1.5
136.07605	0.1
137.02347	0.6
137.06015	0.2
140.07089	0.1
145.02852	0.2
145.04955	0.5
145.29568	0.1
147.02786	0.1
147.04399	0.2
147.11664	0.1
153.01833	4.8
154.02174	0.1
157.06447	0.1
159.02914	0.1
161.02341	0.6
161.05957	0.1
163.03888	0.1
163.06010	0.2
163.07446	0.1
164.07065	0.1
167.07007	0.1
171.02916	0.7
171.04292	0.1
173.05910	0.1
174.06787	0.1
175.07539	0.1
177.05469	0.5
179.03398	0.3
189.09033	0.2
191.10411	0.1
203.03423	0.1
209.02744	0.1
213.05542	0.1
215.05482	0.1
219.06577	0.2
219.10139	0.5
231.04889	0.2
241.04909	0.6
245.04445	0.1
259.06039	0.1
263.05487	0.1
263.11792	0.1
265.13245	0.1
269.04407	0.3
269.07120	0.1
270.05139	0.1
279.11237	0.2
285.07550	0.2
286.04688	0.1
286.07874	0.1
287.05499	100.0
288.05841	1.7
297.11832	0.1
309.12173	0.1
310.13007	0.1
329.06653	0.2
337.11758	0.2
369.14410	0.2
449.10767	0.4
452.22052	0.1
510.22357	0.2
517.09882	0.1
535.03180	0.1
535.10889	1.7
581.14496	0.2
667.15521	0.7
667.25494	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	666.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01864	2.1
55.05307	1.4
55.05514	15.5
57.03431	4.0
57.07064	4.2
59.04990	2.0
64.89774	1.2
65.03929	3.2
67.05177	2.1
67.05509	33.0
69.03440	10.5
69.07075	9.7
69.94082	5.4
71.04993	8.5
73.02901	1.7
79.05494	24.9
81.03426	13.7
81.07066	35.0
82.07387	1.1
83.04986	6.6
83.08622	11.3
85.02929	6.2
85.06551	3.7
87.04464	2.1
91.05486	25.4
93.06468	2.1
93.07048	33.7
95.04975	45.3
95.08049	2.0
95.08611	26.6
97.02892	6.7
97.06535	18.0
97.10126	1.6
99.04461	12.5
99.08108	2.7
105.07030	35.8
107.04980	1.6
107.08601	40.8
109.02853	3.3
109.05801	1.8
109.06528	31.4
109.10160	21.5
111.04430	2.5
111.08067	4.2
113.09647	1.3
115.05476	1.2
116.06206	1.0
117.07040	10.0
119.08588	26.2
121.06523	2.6
121.10152	27.9
123.08080	15.5
123.11710	6.6
125.09576	1.8
127.03911	3.6
128.06258	2.1
129.06998	6.1
130.07735	1.7
131.08578	27.1
133.10136	100.0
135.08076	11.9
135.11678	11.2
137.09636	1.7
139.11186	9.7
141.06953	1.6
143.08546	5.2
144.09317	1.5
145.06487	1.3
145.10130	15.8
147.11699	24.7
149.05922	1.1
149.09593	2.5
149.13251	13.9
151.07550	1.5
151.11200	1.8
153.09113	29.0
155.08554	2.5
157.10104	4.0
158.10950	5.9
159.08083	1.5
159.11652	7.0
161.09695	1.7
161.13252	3.7
163.11195	3.0
163.14903	5.5
165.12750	15.7
167.14328	2.2
169.10136	2.3
171.10237	1.9
171.11707	3.1
173.13274	38.8
175.14842	5.1
179.14372	1.4
183.11679	3.0
185.13263	2.8
187.14864	2.4
189.12749	1.4
191.14311	70.3
195.11594	1.2
199.14833	2.4
209.15372	61.5
210.15689	1.5
215.14220	1.4
227.16422	24.2
232.73715	1.2
243.20995	1.4
259.20551	1.5
261.22159	3.2
277.21591	2.1
291.23230	1.9
303.23328	2.3
315.23312	2.3
351.23087	2.3
369.24042	6.5
387.25269	6.0
405.26318	3.4
423.27197	1.6
636.44379	1.2
666.44604	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	666.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98983	1.0
53.03938	1.9
55.05517	10.3
57.03429	2.3
57.07082	1.8
59.05005	1.2
65.03938	1.9
65.49751	0.9
67.05510	15.4
67.13820	0.9
69.03453	4.9
69.03766	0.9
69.07056	4.3
70.06601	1.2
70.37272	0.9
70.52726	2.3
70.53092	2.2
71.05004	12.4
75.85866	1.0
76.71224	1.3
79.05494	10.0
81.03427	7.4
81.07059	14.6
83.01291	1.1
83.04998	5.5
83.08643	5.6
85.02901	2.6
85.06544	2.3
91.05473	7.6
92.40310	1.4
93.07051	10.9
95.04975	96.3
95.08617	8.7
96.05296	1.1
97.02866	2.8
97.06527	4.2
97.10165	1.9
99.04462	22.4
105.07024	10.8
107.08599	9.4
109.02867	1.7
109.06515	5.4
109.10163	16.7
111.08069	2.2
112.07558	1.3
117.07026	3.7
119.08556	8.4
121.10171	6.8
123.08063	2.0
123.11718	3.6
125.09626	2.2
127.03918	1.6
131.08600	6.6
133.10139	15.3
135.08031	2.2
135.11694	2.7
137.09608	2.5
143.00200	1.1
143.08632	1.5
145.10130	4.6
147.11670	7.8
149.09561	1.9
149.13277	3.5
151.07477	1.1
151.11194	8.4
153.09120	39.1
157.10147	1.3
159.11726	1.8
165.12799	1.7
167.14343	11.8
171.11661	1.6
173.13297	8.5
175.14832	3.0
191.14314	10.8
193.15941	1.9
209.15381	100.0
227.16493	2.4
240.28169	1.1
243.10077	1.2
312.49530	1.2
369.23901	1.0
387.25198	1.2
405.26016	1.9
457.57828	1.1
666.45697	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	666.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01875	3.0
55.05508	17.5
57.03447	4.2
57.07077	5.4
57.15461	1.6
58.24585	1.5
59.05011	2.3
67.05505	24.2
69.03427	12.5
69.07069	10.8
69.47246	5.6
69.47680	6.6
71.04993	9.3
79.05495	24.3
81.03427	12.9
81.07057	39.6
81.11516	1.9
82.77752	1.6
83.04987	18.9
83.08616	15.0
85.02921	5.0
85.06564	4.7
87.04475	3.4
89.06041	2.7
91.05482	19.7
93.07050	28.6
95.04970	21.5
95.08605	22.6
97.02907	4.4
97.06519	13.2
97.10184	4.1
99.04468	6.8
99.08110	2.1
105.07027	28.6
107.04968	1.8
107.08599	32.5
109.02936	2.6
109.06512	30.4
109.10154	46.5
111.04411	2.1
111.08107	5.7
113.06039	2.5
115.07564	4.5
117.07042	6.7
119.08575	20.2
121.10148	29.6
123.08093	7.4
123.11728	10.6
125.09666	5.6
127.03924	3.3
128.06273	2.3
129.06973	3.8
131.08578	17.6
133.08638	2.2
133.10126	52.7
135.08020	10.2
135.11693	8.8
137.09692	2.9
137.13312	2.9
139.11208	4.0
143.08618	4.1
144.09381	2.3
145.10115	10.0
147.11694	29.7
149.09613	2.3
149.13257	16.2
151.11198	19.8
153.09099	14.2
155.08562	2.4
157.10094	2.2
158.10971	6.0
159.08165	1.5
159.11673	4.9
161.13243	3.9
163.11198	1.8
163.14883	5.2
165.12753	6.5
167.14285	17.5
167.15332	1.4
171.11725	4.9
173.13252	34.2
173.14667	2.1
175.14824	8.8
181.15887	2.7
185.13278	2.9
191.14301	34.3
191.62860	1.5
191.65359	1.6
207.13745	1.6
208.56773	1.6
209.15372	100.0
211.15109	1.7
227.16393	9.9
261.22226	1.6
303.22824	1.8
327.22971	2.4
351.23273	2.9
369.24493	4.7
387.25385	4.0
394.53665	2.1
405.26291	2.8
493.11273	1.8
666.45538	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	666.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01844	1.4
55.05519	7.8
57.03417	1.7
57.07060	2.1
58.06598	3.8
59.04991	2.0
67.05507	20.6
69.03426	5.4
69.07059	8.9
71.04973	3.3
71.55869	1.9
79.05487	13.5
81.03405	6.4
81.06650	2.0
81.07066	25.6
81.15445	1.5
83.04978	3.0
83.08607	5.9
84.08138	2.5
85.02913	29.4
91.05476	14.3
93.07054	17.0
95.04969	6.3
95.08605	19.7
97.02877	3.1
97.06522	8.2
97.10154	1.9
105.07034	27.4
107.08604	13.9
109.06520	14.1
109.10172	13.3
111.08086	2.4
115.07542	2.9
117.07009	7.1
119.08572	26.9
121.10142	13.7
123.08039	5.6
123.11710	29.4
124.07576	4.1
125.09629	2.2
127.03974	1.8
128.06236	3.0
129.06998	2.6
130.07681	1.7
131.08574	12.5
133.06480	4.9
133.10136	18.8
135.08028	3.8
135.11658	5.6
139.53075	1.5
143.08588	4.1
145.10115	23.5
147.08037	2.0
147.11699	38.1
149.09648	3.3
149.13235	3.3
153.09116	5.0
156.09378	5.4
157.10109	1.9
159.08055	1.9
159.11650	3.2
161.13251	2.4
163.11067	2.3
163.14774	1.7
165.12711	4.4
171.11732	7.6
173.13297	8.2
174.10350	2.7
175.14745	2.0
189.12747	100.0
191.14288	11.6
207.13795	22.9
209.13420	2.6
209.15376	21.4
225.14833	5.3
227.16380	8.7
387.25165	2.1
389.26743	2.7
591.26117	2.2
607.43561	3.0
622.39960	1.5
624.45319	2.3
666.47186	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38482	0.9
53.03942	1.3
55.01863	1.5
55.05521	1.2
67.05494	3.0
69.03439	2.1
69.07075	5.4
70.06594	2.2
70.95152	0.9
70.95499	1.3
72.08148	2.7
79.05494	2.1
81.03432	1.4
81.07053	2.5
84.08150	35.4
85.02919	1.6
85.06527	1.0
86.09731	1.1
91.05484	2.2
93.07048	2.8
94.06584	5.4
94.51484	0.9
95.04943	1.8
97.02908	4.4
97.06510	1.7
99.04448	1.0
100.11255	1.0
105.07065	1.7
107.04959	1.8
107.08595	1.6
108.08102	1.5
109.02898	2.1
109.06506	1.4
109.10147	2.1
110.05992	1.0
112.07619	1.4
118.06500	1.3
119.04951	1.1
119.08608	1.4
120.08101	1.3
121.10161	1.8
122.06037	21.5
123.04472	1.7
123.11663	1.4
127.03922	1.2
128.07080	1.4
130.08681	2.8
133.10123	2.2
134.06017	1.8
135.04465	1.5
135.11667	1.2
137.05981	2.0
140.07072	30.4
144.04428	2.5
145.05020	1.2
145.10153	1.4
146.06027	12.0
147.04390	1.7
147.11340	1.0
148.07576	2.6
152.07037	2.3
160.07513	1.1
162.05508	1.4
163.03889	2.3
164.06995	0.9
167.07054	12.0
172.03944	14.1
173.04584	1.5
173.05980	1.6
174.05513	17.7
175.14783	1.3
176.07089	8.3
177.05496	1.3
181.04973	2.9
190.04979	3.9
191.05804	1.6
192.06587	1.7
197.10765	1.1
204.06570	27.4
206.08157	9.1
212.09300	1.3
213.10237	2.8
215.11923	2.4
225.10306	2.8
226.08501	0.9
236.09474	1.0
237.10217	1.1
239.11902	2.2
241.09685	2.4
243.11319	13.4
249.10225	1.3
251.11812	1.9
253.09718	1.5
255.11311	2.2
257.08978	1.4
257.12845	1.5
259.10754	1.0
261.12473	1.2
265.09607	2.4
267.11179	2.2
268.09695	1.0
269.09155	1.4
271.10730	1.5
273.12555	1.4
279.11151	1.5
281.08972	1.3
283.10767	5.0
284.11432	1.4
285.12354	16.3
287.10272	4.5
287.13699	1.9
295.10837	1.1
297.07599	8.9
297.12512	1.2
299.10492	1.8
299.13821	1.2
301.11877	2.9
303.10040	2.0
303.13412	31.6
304.14395	1.7
311.10419	1.2
313.11832	31.3
314.12646	1.4
316.10876	1.2
316.14279	1.5
317.15173	1.2
318.15976	3.0
319.16736	2.4
323.10172	1.8
324.10938	1.0
325.11832	1.1
327.14008	1.0
328.10922	1.2
329.11496	1.6
330.12369	3.4
331.12927	10.4
332.13733	2.2
332.17679	1.5
337.11758	1.0
343.13058	2.2
344.13916	2.2
345.14474	17.2
346.15613	4.9
347.16226	3.9
353.13849	4.6
356.13708	1.2
356.17520	1.1
358.11584	1.3
358.15549	3.4
359.12503	1.1
360.16995	3.6
369.11761	1.0
370.11899	1.6
371.15436	5.2
372.13519	5.8
372.17435	1.2
373.14178	4.4
374.15005	5.0
381.31094	1.5
384.13416	1.0
385.14447	1.8
386.14874	8.5
387.15814	7.3
388.16803	6.2
399.32257	8.0
402.18500	1.7
404.15915	4.2
405.16867	3.2
406.17480	4.3
412.16565	1.8
414.14514	8.2
415.15311	16.4
416.16122	20.4
417.15598	6.6
417.33344	9.3
418.17303	2.1
428.16159	3.1
429.16608	1.9
430.17706	3.8
432.15424	2.5
433.16498	5.4
434.17154	4.9
446.17093	6.2
447.17822	3.1
456.15338	3.7
457.16153	1.8
460.15030	1.5
471.34598	2.6
474.16629	23.6
475.17337	12.4
476.18079	6.1
506.19226	3.3
507.19943	1.7
507.88623	1.1
571.25604	1.8
573.23352	3.7
597.23413	5.5
615.24506	100.0
616.24884	4.3
647.27521	4.4
665.49017	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01862	0.9
55.05499	1.0
57.03433	0.5
58.99575	0.4
59.04981	0.9
60.78514	0.3
61.02915	0.4
65.03951	1.6
67.05515	1.7
68.99799	0.3
69.03429	2.9
69.07056	1.3
70.06586	1.6
71.04980	0.6
71.55502	0.4
72.08138	1.1
73.02905	0.3
78.04697	1.6
78.37888	0.3
79.05508	2.6
81.03425	2.9
81.07059	1.7
82.04206	0.6
83.04956	0.5
83.08634	0.3
84.08145	1.0
85.02905	4.1
86.09699	0.9
87.00832	0.9
91.05476	2.8
93.07039	1.4
95.04962	1.6
95.08598	1.5
97.02885	4.0
97.06522	1.2
97.10185	0.4
99.04418	1.0
100.07639	0.5
100.11255	0.4
103.05455	1.6
105.01884	0.7
105.07048	1.8
106.04162	1.3
107.04368	0.4
107.04983	3.8
107.08572	1.4
109.02861	2.2
109.06493	0.8
109.10142	0.9
110.03599	0.4
111.04444	0.8
115.05451	2.6
117.05465	0.4
117.07033	5.3
118.48300	0.4
119.04929	0.7
119.08567	1.4
121.06553	0.5
121.10154	1.0
122.06019	0.8
123.04433	5.6
124.05261	2.0
124.07612	0.9
125.05998	0.8
127.03952	2.1
127.05465	1.0
128.07094	0.5
129.07013	0.5
131.04947	0.5
131.08537	0.4
133.06482	0.5
133.10136	1.0
135.04367	0.8
135.11696	1.3
136.07611	0.5
137.05933	1.6
138.03113	0.6
140.07092	0.6
142.02602	0.8
143.04988	0.4
145.04968	0.9
145.06477	7.9
145.10126	2.4
146.10457	1.1
147.03307	0.4
147.04358	2.1
147.08057	0.8
149.06004	0.5
149.09639	0.4
151.03918	1.4
151.07538	0.5
152.04657	1.6
153.05498	2.9
155.04932	0.6
155.06023	3.1
155.08582	0.4
159.08017	0.5
159.11685	1.2
160.12001	1.0
161.06035	0.5
163.02718	0.3
163.03876	2.1
163.07497	0.5
163.11215	0.5
164.07085	0.4
165.05450	0.6
167.07045	100.0
168.07384	1.5
169.05014	0.5
171.06549	1.2
172.03900	0.6
173.06001	16.6
175.03850	0.4
175.07578	1.2
177.05470	1.1
180.95659	0.4
181.04967	24.9
182.15378	0.6
186.09137	0.4
187.07439	0.4
193.04977	0.4
193.08575	0.6
195.06578	0.6
201.05479	1.1
201.16397	3.2
202.16690	2.8
205.06767	0.5
205.08607	4.3
207.06520	0.4
217.08635	0.8
219.17484	0.8
220.17819	1.0
231.10153	0.8
233.08049	5.5
235.09631	3.0
245.07973	0.6
247.09666	0.5
257.12930	0.5
259.10849	3.8
263.09198	0.8
273.12350	0.5
285.07660	2.5
287.09241	0.6
299.09146	0.5
301.11789	3.1
303.13107	0.5
307.09561	0.4
313.11725	0.4
315.08563	0.6
319.12961	4.9
337.13992	1.0
339.12393	0.5
367.11850	1.0
369.13211	0.4
371.14908	3.7
381.13229	1.4
383.14911	0.4
385.12534	0.4
387.14368	8.4
395.14926	0.4
399.14496	3.5
411.14276	0.5
417.15454	52.4
418.15622	1.2
459.16513	0.5
524.20300	0.8
615.25171	1.6
621.21368	0.5
646.01947	0.4
665.20630	8.6
665.30316	0.4
665.50006	0.5
666.21405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87455	0.3
53.03931	0.9
55.01865	0.6
55.27122	0.3
57.03422	0.8
61.02913	0.3
64.76143	0.3
65.03929	1.2
67.05496	0.6
68.99795	0.3
69.03433	3.1
69.07060	0.4
70.06568	0.9
70.61616	0.8
71.04933	0.4
72.08127	0.3
73.02911	0.6
78.04709	2.2
79.05499	1.7
81.03412	2.4
81.07049	0.5
82.04189	0.3
85.02906	4.2
87.00809	0.8
87.04453	0.3
89.06027	1.1
91.05466	1.0
93.03415	0.4
95.04964	1.3
97.02893	2.2
97.06540	0.4
99.04451	0.9
103.05461	1.4
103.75180	0.3
105.01868	0.3
106.04157	1.4
107.04965	2.3
108.02090	0.3
109.02887	2.4
110.03669	0.7
115.05451	3.3
117.07019	6.1
119.08545	0.4
122.03610	0.4
123.00830	0.3
123.04429	5.8
124.05190	1.7
125.06000	0.7
127.03905	3.5
127.05416	0.6
131.04872	0.4
133.08644	0.3
137.05968	0.8
138.03116	0.5
142.02609	0.6
144.05704	0.3
145.05180	0.5
145.06485	9.0
147.04430	0.5
147.08000	0.6
151.03934	0.9
152.04697	1.9
153.05457	0.8
155.06015	2.8
157.06462	0.4
159.02925	0.3
161.05914	0.4
161.32315	0.3
167.07040	100.0
168.07405	1.6
171.06523	1.0
173.05984	19.0
174.06613	0.5
175.07532	0.8
177.05484	0.4
181.04956	25.2
182.05386	0.5
183.06593	0.4
187.06038	0.7
187.07497	0.4
190.06317	0.3
191.07037	0.3
192.69374	0.3
193.08685	0.5
195.06543	0.4
201.05464	1.1
203.07031	0.5
205.08580	3.9
207.06551	0.5
217.08635	1.2
221.08122	0.4
231.10121	0.5
233.08057	5.3
235.09674	4.5
245.08121	1.0
247.09964	0.3
259.09833	0.6
263.09314	0.8
275.09180	0.9
277.10834	0.7
283.17749	0.4
285.07614	0.6
287.09167	0.5
305.10367	0.6
307.09518	0.3
324.46786	0.4
337.10638	0.4
339.12198	0.4
367.11777	1.2
369.13391	1.5
374.98013	2.1
381.13364	0.9
382.13809	0.4
383.15054	0.9
387.14337	11.0
387.19183	0.6
388.96121	0.7
392.99039	1.1
395.14948	1.5
399.14429	2.9
399.26093	0.4
411.14398	1.2
417.15439	20.9
423.14392	0.7
459.16534	1.8
519.02136	1.4
579.20850	0.9
621.21857	1.9
665.20685	21.7
666.21802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01857	1.2
55.05500	0.5
57.03417	0.4
58.07013	0.3
59.04990	0.4
61.02913	0.5
65.03938	1.4
65.28094	0.3
67.05512	1.7
68.77994	0.3
68.99787	0.5
69.03434	4.7
69.07053	1.2
70.06582	1.1
71.04980	0.6
71.55202	0.2
72.08133	0.8
73.02915	0.8
75.56208	0.2
78.04714	1.8
79.05486	1.8
81.03420	3.5
81.07063	1.3
82.04194	0.4
82.06571	0.4
83.04973	0.6
84.08147	6.9
85.02415	0.5
85.02907	5.3
85.06559	0.3
86.09719	0.4
87.00841	1.3
91.05491	2.1
93.03413	0.4
93.07070	1.3
95.04971	1.9
95.08595	0.7
97.02901	3.4
97.06512	0.7
98.31201	0.3
99.04448	1.2
100.07617	0.4
101.05963	0.3
103.03957	0.4
103.05486	1.6
105.01830	0.5
105.03397	0.4
105.07053	1.4
106.04162	0.8
107.04974	2.3
107.08570	0.6
108.02091	0.4
109.02896	2.5
109.06464	0.5
109.10166	0.5
110.03643	0.7
111.04429	0.5
111.08059	0.4
115.05457	4.0
117.07022	5.5
119.04911	0.5
119.08570	0.9
121.06493	0.5
121.10145	0.5
122.03619	0.3
123.04437	6.4
124.05213	2.1
124.07621	0.4
125.05962	0.5
125.09617	0.4
127.03927	3.3
127.05453	0.8
130.08649	0.7
131.04936	0.9
131.08528	0.6
132.05695	0.4
133.06453	0.4
133.10115	0.4
135.04422	0.8
135.08127	0.4
136.07521	0.4
137.02316	0.4
137.05986	1.2
138.03049	0.6
140.07042	0.4
142.02606	0.7
143.08577	0.4
144.05638	0.3
145.02779	0.6
145.04985	0.8
145.06494	9.9
145.10197	0.4
147.04413	1.6
147.08046	0.7
147.11691	0.4
149.02298	0.3
149.05966	0.3
151.03938	1.1
151.07570	0.4
152.04689	1.9
153.05464	1.3
155.06042	3.1
157.06517	0.4
161.06021	0.6
163.03935	1.5
163.07512	0.3
164.07097	0.4
165.05460	0.6
167.07047	100.0
168.07402	1.3
169.04854	0.3
171.06552	0.9
173.05995	17.9
174.06386	0.4
175.07581	1.2
177.05531	0.6
179.06921	0.3
181.04968	25.3
182.05327	0.4
183.06479	0.3
187.06006	0.5
187.07523	0.5
189.05534	0.4
189.09065	0.3
191.07030	0.6
193.08752	0.4
195.06522	0.3
201.05498	0.9
203.07014	0.5
205.08578	4.8
207.06522	0.9
209.08060	0.4
211.07666	0.4
215.06950	0.4
217.08609	1.2
219.06558	0.3
220.07242	0.3
221.08257	0.5
231.10136	0.9
233.08075	4.9
235.07544	0.4
235.09688	4.2
245.08150	1.0
247.09717	0.7
259.09644	0.6
263.09213	0.9
265.04654	0.3
265.08624	0.3
275.09164	0.6
277.10791	0.9
280.07047	0.3
285.07578	1.7
285.12259	0.3
287.09314	0.6
297.07584	0.8
309.07520	0.3
333.14410	0.5
336.28812	0.3
337.10773	0.3
349.10620	0.4
359.07080	0.3
367.11597	1.3
369.13513	1.5
371.14920	3.3
381.13306	1.0
381.31363	0.4
383.14886	1.2
387.14423	10.0
388.14984	0.4
395.14911	1.4
399.14465	3.6
399.32120	1.6
411.14618	0.9
417.15454	21.3
417.32892	1.3
418.15762	0.6
423.14386	0.8
429.15747	0.4
441.15558	1.0
443.49405	0.3
459.16531	2.0
503.24716	0.3
579.20490	0.9
584.25946	0.3
621.20972	1.3
665.20691	19.1
666.21301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09366	2.4
53.03948	4.5
53.27551	2.3
53.49368	2.3
55.05514	31.8
57.03445	29.4
57.07076	9.4
66.92388	2.9
67.05173	4.8
67.05514	90.9
69.06729	3.4
69.07079	38.3
70.16578	9.2
71.04992	3.7
71.08637	4.7
79.05503	55.8
81.03427	3.1
81.07067	100.0
83.04966	3.0
83.08620	21.7
85.06535	6.4
87.04514	2.3
91.05492	64.0
93.07051	65.5
95.04987	5.5
95.08048	5.0
95.08621	65.0
95.28934	2.5
97.06528	8.9
97.10171	11.7
99.08100	6.8
105.07034	58.8
107.08598	34.4
109.06550	5.8
109.10172	23.5
111.08098	8.1
115.05444	3.2
117.07023	26.1
117.86020	2.7
119.08593	36.9
121.06506	4.9
121.10131	22.5
123.08135	3.3
123.11720	8.6
125.09659	7.9
128.06247	5.5
129.06981	13.1
131.08568	27.3
133.10155	23.8
135.11726	14.0
141.07007	3.2
143.08566	10.9
145.10139	35.3
147.11703	20.9
149.09633	7.4
149.13281	7.5
151.11209	4.8
155.08582	3.6
157.10147	11.4
158.78149	2.7
159.11711	30.8
161.09584	3.1
161.13246	12.4
163.11209	3.8
163.14842	4.5
169.10072	5.1
171.11685	7.3
173.13295	12.3
175.14851	6.9
183.11716	4.9
185.13255	27.0
187.14803	4.2
189.16360	2.8
193.12282	3.1
197.13293	5.8
199.14874	4.8
201.16522	3.7
203.14294	11.1
205.15930	4.2
219.17447	8.2
227.12836	9.0
239.17972	10.2
257.19012	33.4
259.20544	4.1
261.22168	3.2
275.20145	33.8
277.21655	2.9
312.62451	3.0
327.07944	4.9
328.08029	5.0
331.22598	5.2
335.25879	4.4
337.27383	89.0
349.23770	36.8
351.25375	4.9
383.14490	3.6
433.33276	3.6
440.20276	3.1
491.37234	5.3
496.26938	4.1
507.36484	2.8
529.38989	6.4
552.32764	4.2
558.63147	2.8
593.45941	2.5
608.39319	3.3
611.39392	2.8
611.46820	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	664.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.4
57.03438	11.7
57.07079	26.0
59.04993	3.6
59.88042	0.8
61.02927	5.7
65.03931	1.3
67.02100	0.9
67.05508	67.6
69.03430	1.0
69.07070	6.1
71.04998	2.8
71.08634	20.2
71.27451	1.1
73.02931	1.7
79.05490	2.2
81.07060	16.7
82.72407	0.7
83.04996	1.3
83.08618	13.0
85.02917	4.1
85.06572	1.3
85.10193	11.2
87.04453	1.4
89.06024	2.1
91.03918	1.5
91.05459	4.9
93.07040	3.1
95.08602	17.0
97.02905	2.6
97.10173	2.7
99.04539	0.9
99.11749	1.3
103.07604	1.0
107.08598	3.3
109.10162	66.3
111.08060	2.9
119.08614	5.5
123.11686	2.3
133.10135	1.2
137.09613	4.4
137.13266	1.2
155.10632	4.7
173.11755	19.2
221.15292	1.0
222.15724	1.0
229.14363	100.0
234.95418	1.1
251.45866	0.9
257.24805	1.1
270.93991	0.9
313.27377	84.2
314.27753	1.3
373.17844	0.9
467.37344	60.7
468.37479	1.1
564.31226	1.1
621.73303	1.1
664.47327	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01853	1.0
55.05503	2.5
57.07070	1.3
67.05512	6.4
69.03421	2.7
69.07067	1.4
70.81211	1.5
70.81544	1.0
71.04991	1.0
73.98692	0.7
79.05501	6.5
81.03409	2.7
81.07058	11.6
83.04978	1.1
83.08621	0.8
85.02913	23.6
86.15903	0.7
89.55421	0.7
91.05491	8.7
93.07063	6.7
95.04977	1.2
95.08624	5.0
97.02886	1.0
100.21129	0.7
104.45087	0.7
105.07040	13.9
107.08609	5.8
109.06529	2.0
109.10162	5.0
111.08085	0.7
115.05428	0.9
116.06245	1.1
117.07020	3.0
119.07800	1.3
119.08595	18.5
121.10140	5.4
123.08072	1.4
123.10815	1.5
123.11720	27.9
125.05988	2.0
129.06941	1.5
130.07774	2.3
131.08566	4.9
133.06508	6.5
133.10165	3.3
133.27399	0.7
134.57758	0.7
134.80351	0.6
135.08089	1.2
135.11736	1.1
136.86432	0.6
142.07809	0.9
143.08565	2.0
145.10139	19.6
145.11285	1.1
145.52545	0.6
147.08037	2.1
147.11702	31.6
149.09621	3.0
151.07596	1.1
151.59360	0.6
156.09366	5.3
157.10207	1.1
159.08084	2.2
159.11685	2.4
160.08905	0.9
161.09666	1.0
161.13274	2.0
165.12808	0.7
171.08101	0.7
171.11746	4.6
174.10429	2.6
189.12769	100.0
190.13072	1.5
201.20003	0.7
207.13835	21.3
225.14816	3.5
227.76175	0.6
369.24368	0.8
387.25140	0.9
416.31049	0.8
433.36282	0.8
624.49823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.3
57.03436	0.5
57.37278	0.2
67.05499	0.7
69.03433	2.8
69.07085	0.3
69.75766	1.2
70.06590	0.6
72.08163	0.4
79.05507	0.5
81.03423	0.6
81.07058	0.9
85.02910	2.0
85.06547	0.3
87.04471	1.5
89.03995	0.3
91.05483	0.9
93.07043	0.6
95.08594	0.6
97.02885	1.8
97.06461	0.3
99.04457	0.2
105.07006	0.7
107.04984	0.2
107.08591	0.6
109.02930	0.3
109.06507	0.3
109.10177	0.3
115.03957	1.3
119.08627	0.6
121.10156	0.5
127.03947	0.3
129.51421	0.2
131.08569	0.4
133.04976	1.1
133.06497	0.5
133.10146	0.4
135.04420	0.9
135.11646	0.3
136.06210	0.3
137.06026	0.3
147.04422	1.0
147.11688	0.4
149.05977	0.6
151.11235	0.3
153.05447	0.6
159.11720	0.4
163.03873	0.7
165.01857	0.8
173.02484	0.3
176.01006	0.3
177.05495	0.5
182.07185	0.3
194.02095	0.5
197.05978	0.4
197.13297	0.2
200.04628	0.2
208.03653	0.2
225.08980	0.3
243.06592	0.3
247.07741	0.2
250.88828	0.2
251.07104	0.4
253.08725	0.8
254.05750	0.4
259.14212	0.4
261.09097	0.4
266.05759	0.4
269.08020	0.3
277.12323	0.4
279.06604	0.3
279.10120	0.4
281.08051	2.4
282.05338	1.4
285.07623	0.6
287.05341	0.4
289.08813	0.3
290.09344	0.7
293.04962	0.3
293.07965	1.2
294.05304	0.4
295.09705	0.6
295.13318	0.5
297.07584	17.2
298.07996	0.4
305.08295	0.3
305.11829	0.6
307.05957	0.4
308.06821	0.8
308.10269	0.5
309.07593	4.4
309.11301	1.3
311.09058	0.7
313.07214	0.4
317.07983	0.4
318.08859	0.7
321.07602	2.9
322.08383	2.5
323.09131	1.4
323.12814	0.6
333.11221	4.7
335.09042	1.5
336.09943	4.6
337.10568	0.4
351.12274	100.0
352.12598	3.1
369.13373	1.8
379.29916	0.5
513.17529	0.8
645.21985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.2
55.01839	0.4
55.05488	0.3
57.03392	0.5
57.07036	0.1
59.04973	0.1
66.40157	0.1
67.05464	0.5
68.99776	0.1
69.03436	1.9
69.04557	0.1
69.07042	0.3
70.06596	1.3
71.06923	0.1
71.55228	0.1
72.08127	0.2
79.01861	4.9
79.02294	0.2
79.05454	0.4
81.03395	0.3
81.07013	0.4
83.04967	0.2
84.08127	0.2
85.02915	1.5
87.04479	1.0
89.03883	0.4
91.05453	0.4
93.07005	0.4
95.04922	0.3
95.08571	0.5
97.02895	1.4
97.06473	0.4
99.04408	0.1
103.05429	0.1
105.06987	0.4
106.04179	0.1
107.04942	0.2
107.08558	0.5
109.02824	0.2
109.10072	0.2
111.04445	0.2
112.07593	0.1
115.03944	0.7
115.05408	0.1
117.03340	0.5
117.06986	0.2
119.08553	0.3
120.81287	0.1
121.06477	0.3
121.10094	0.3
123.08059	0.2
123.11632	0.2
127.03861	0.4
129.06929	0.2
131.04901	0.2
131.08537	0.2
133.04977	0.5
133.10089	0.5
134.02798	0.2
134.03651	1.8
135.04390	0.3
135.08018	0.2
135.11678	0.2
136.01489	0.1
137.05949	0.3
141.06947	0.3
145.02802	0.5
145.04866	0.1
145.10072	0.2
147.04369	0.4
147.11644	0.3
149.05971	0.2
153.01816	0.3
153.05437	0.3
153.06898	0.2
154.02618	0.2
155.04897	0.3
157.02867	0.6
157.06453	0.3
157.10143	0.1
159.04439	0.1
159.07965	0.1
161.05957	0.2
163.03891	0.5
165.01830	0.4
168.94231	0.1
169.06476	0.3
171.04369	0.2
171.11647	0.1
172.05237	0.1
175.03928	0.8
175.07559	0.1
177.05440	0.9
183.02963	0.3
183.04427	0.4
185.05972	0.4
186.06715	0.3
187.07515	0.3
189.12589	0.1
197.05969	0.9
199.03893	1.1
211.03896	0.4
213.05475	0.3
214.06207	0.3
215.07111	0.9
225.05542	1.1
228.04082	0.2
229.04897	0.2
229.08588	0.3
239.03348	0.4
239.06944	0.2
241.04926	0.7
242.05684	0.9
243.06583	1.2
252.04228	0.2
253.04991	2.7
257.08060	0.2
257.88196	0.1
261.04016	0.2
269.04471	0.4
270.05234	2.5
271.05939	0.8
280.03665	0.4
281.04437	2.9
283.06085	0.3
285.07462	0.3
286.04691	0.2
289.07086	3.6
297.07455	0.2
298.04736	13.1
299.05539	0.6
301.07083	1.8
313.07059	98.6
314.07462	2.5
325.07001	0.3
339.08688	0.1
354.11090	0.6
355.07944	0.1
369.13345	100.0
370.13715	3.2
381.13513	0.1
397.21381	0.1
411.14380	0.2
433.11172	0.1
482.29395	0.1
531.18640	5.8
532.19110	0.2
534.73706	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	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93233	1.5
53.03934	6.8
55.01881	4.1
55.05515	29.9
57.03447	16.2
57.07069	6.3
65.03938	5.1
66.08192	1.9
67.05509	94.5
67.05874	4.9
69.03434	2.0
69.07068	30.3
69.26549	19.2
71.04982	4.9
79.05498	72.8
81.03409	2.8
81.07064	100.0
81.91604	2.0
83.04979	8.6
83.08639	16.2
85.06532	4.7
87.04478	25.7
91.05486	60.1
93.07051	88.9
95.04971	13.7
95.08609	54.1
97.06512	10.3
97.10156	4.7
99.08061	2.7
103.05460	1.7
105.04527	2.1
105.07043	39.3
107.04945	3.5
107.08602	44.3
109.06506	7.5
109.10159	22.4
111.08086	4.6
115.05451	2.5
117.07019	20.4
119.08586	28.3
121.06509	5.1
121.10155	32.7
123.08070	5.5
123.11700	8.0
125.09587	3.7
126.23637	1.9
129.06993	5.4
131.08582	22.6
133.10147	23.1
135.08055	3.7
135.11713	20.9
137.09598	5.3
143.08537	3.2
145.10139	16.6
147.08130	1.9
147.11673	15.0
149.09656	5.8
149.13258	15.6
151.11230	2.4
157.10109	5.0
159.11722	14.7
161.09709	2.3
161.13280	7.2
163.11163	6.8
163.14842	3.1
171.11670	3.9
173.13321	9.1
175.14853	4.1
177.12817	3.7
179.14224	2.1
183.11713	2.6
185.13251	3.6
187.14812	2.5
195.13821	4.9
197.13258	2.8
199.14804	2.5
201.16408	3.2
201.47992	2.4
229.14328	2.4
239.17773	4.7
243.21210	5.1
255.15874	11.9
257.19128	5.6
261.22144	9.8
269.17465	17.7
270.20688	2.8
275.20065	24.5
277.21646	3.6
317.24918	3.3
335.25815	78.6
349.23776	17.4
367.24628	4.2
459.21637	4.8
475.21094	2.5
515.37268	18.4
529.38873	84.9
532.52869	2.5
547.27014	3.9
569.42126	2.7
606.28406	10.6
607.28625	3.0
609.44916	8.3
622.27728	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	663.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48897	0.1
53.89506	0.1
55.05499	0.1
57.03425	0.2
69.03399	0.5
71.29153	0.1
81.03388	0.1
85.02854	0.3
85.06490	0.1
85.46417	0.1
87.04456	0.3
95.08551	0.1
97.02869	0.3
105.06977	0.1
115.03942	0.2
119.04929	0.1
119.08574	0.1
121.06492	0.1
127.03899	0.2
133.10132	0.1
134.03647	0.9
135.04388	0.1
147.04344	0.1
149.06004	0.1
151.03883	0.2
163.03877	0.1
165.01840	0.5
183.02910	0.3
208.99217	0.1
213.05496	0.2
214.06264	0.3
241.04971	1.5
242.05743	0.7
243.06461	0.1
249.73645	0.1
253.04985	0.2
253.08664	0.2
269.04422	0.4
270.05237	2.6
271.05814	0.1
275.96353	0.1
281.07983	0.1
282.05325	0.1
285.07632	0.3
286.04773	0.1
295.05893	0.2
297.03912	0.4
297.07578	1.6
298.04724	33.3
299.05045	0.7
299.09039	0.1
301.06995	1.2
309.07486	0.4
313.07050	100.0
314.07404	2.4
315.08685	0.2
321.07697	0.2
322.08481	0.3
323.09125	0.2
333.11124	0.5
335.09314	0.2
336.09979	0.4
351.12277	9.0
352.12653	0.3
369.13336	33.8
370.13815	0.9
501.17661	0.3
531.18732	0.4
605.79169	0.1
663.22498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10987	8.4
55.05510	11.4
57.07074	13.5
60.11580	9.7
65.60223	8.6
67.05508	26.1
67.52272	8.8
69.07076	11.9
70.06595	10.1
71.56042	10.3
71.56821	8.9
79.05504	21.9
81.07059	31.7
83.08601	17.0
83.48689	9.7
85.36379	10.3
87.04476	100.0
91.05470	20.2
93.07072	19.4
95.08596	26.9
105.07048	23.8
107.08596	19.0
107.93301	10.0
109.10210	11.1
117.07062	14.3
119.08579	26.1
131.08565	21.8
133.10176	19.1
145.10190	10.5
151.28848	10.5
159.11740	14.3
199.14735	9.4
323.04047	11.5
379.24850	10.9
385.45810	10.1
536.62714	11.4
541.90955	10.9
609.44818	25.6
662.44263	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	7.2
54.34465	3.9
55.01866	4.4
55.05516	35.3
57.03444	30.4
57.07073	8.4
65.03950	4.3
67.05176	3.6
67.05505	96.0
67.44920	3.9
69.07073	38.4
69.23515	40.5
71.05003	8.4
72.52716	3.9
73.40527	4.0
77.70892	3.3
79.05495	84.6
81.07060	91.0
83.04984	5.2
83.08614	16.9
85.06541	6.8
87.04485	11.9
91.05480	84.2
93.07050	100.0
95.04989	9.1
95.08608	71.1
95.95225	3.7
97.06551	6.0
97.10187	11.9
99.08081	7.1
105.07030	74.7
107.08604	50.8
109.06564	5.7
109.10162	33.0
111.08100	8.6
115.05479	3.6
117.07025	36.8
117.27024	3.7
119.08585	52.7
119.83017	3.8
121.06598	4.2
121.10143	32.5
123.11690	9.8
125.09628	9.9
128.06308	4.1
129.07021	14.2
130.07825	4.6
131.08589	44.5
133.10158	27.1
135.08049	6.1
135.11674	19.3
141.06958	8.9
142.07755	4.4
143.08588	14.3
145.10123	40.6
147.11693	26.3
149.09627	14.8
149.13310	4.7
155.08650	5.6
157.10165	14.9
159.11702	36.9
161.13258	14.1
163.11169	7.7
169.10109	7.2
171.11740	5.0
173.13326	13.7
175.14827	6.6
179.14478	4.7
183.11707	7.6
185.13281	33.1
185.19409	3.8
187.14900	10.5
189.11192	6.7
197.13284	7.8
201.16376	6.3
203.14363	11.6
211.14807	6.3
227.12814	15.5
229.19548	4.4
239.18030	14.1
257.18985	31.7
259.20618	5.7
261.22058	8.7
275.20081	45.8
311.86136	4.3
323.29803	4.7
331.22739	5.5
335.25800	89.2
349.23688	36.2
529.68304	4.3
546.41241	5.1
556.12036	4.9
609.45056	37.8
677.56384	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	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23233	5.5
52.06815	5.5
54.32309	6.0
55.05504	15.8
57.03430	12.1
57.07084	32.6
57.07308	5.4
67.05508	48.6
69.03403	6.6
69.07060	19.3
71.08623	10.4
71.56226	8.9
73.07278	6.6
74.73554	6.9
79.05491	43.9
81.07064	51.1
83.08612	12.0
85.06499	6.2
85.65352	7.0
87.03998	8.0
87.04479	100.0
89.91115	6.9
91.04964	6.6
91.05463	41.0
93.07044	50.8
95.08606	37.8
95.23193	7.1
105.07016	39.9
107.08601	24.4
109.06550	7.3
109.10134	16.2
117.07030	9.1
119.08591	29.5
120.96799	5.7
121.06538	11.5
121.10152	27.6
123.08053	7.6
131.08560	20.3
133.10132	22.9
135.11696	21.7
145.10112	19.7
147.11719	18.5
159.11713	14.8
161.13272	7.7
171.11574	8.9
179.14235	8.5
187.14856	11.2
199.14821	8.6
241.19730	7.2
259.20633	22.0
277.21829	17.3
327.08231	8.2
333.24213	20.8
351.25211	16.4
495.26328	10.9
609.45032	16.2
662.44617	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	662.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.2
55.01875	8.8
55.05264	5.1
55.05516	73.8
56.32332	3.4
57.03435	10.3
57.07064	12.3
59.04999	4.2
65.03944	5.7
67.05169	7.3
67.05509	100.0
69.03440	7.5
69.07072	40.5
69.38650	4.3
71.04990	5.5
71.56601	5.9
78.06865	3.3
79.05498	95.6
81.07063	96.5
81.07527	7.8
83.04998	11.1
83.08623	41.4
85.06540	7.4
87.04477	50.9
91.05499	51.7
93.07056	88.6
95.04953	9.5
95.08039	6.7
95.08606	59.5
97.06544	8.6
97.10182	58.0
99.08097	5.9
105.07043	52.1
107.08607	89.2
109.06553	8.3
109.10160	33.7
117.07034	15.1
119.08593	39.8
121.10150	31.4
123.11716	13.6
125.09641	48.0
125.55449	4.6
129.07031	4.5
131.08571	19.0
133.10139	30.4
135.08040	8.0
135.11713	15.5
143.08562	9.2
145.10133	27.9
147.11679	17.8
149.09639	7.4
149.13293	12.7
155.08603	4.6
159.11720	13.0
161.13290	14.3
163.11214	5.8
169.10155	6.1
171.10251	4.8
171.11678	4.5
173.13292	11.8
183.11668	4.3
185.13316	5.1
187.14763	4.8
189.11237	31.0
227.12808	88.9
243.21071	6.0
245.13934	6.2
257.19128	8.3
259.20618	7.6
261.22250	25.1
275.20084	42.7
317.25055	4.2
331.22607	6.1
335.25815	81.0
349.23801	51.0
505.35236	57.8
509.53268	4.6
609.45129	51.7
622.28082	4.0
627.45947	7.6
675.95355	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	662.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	1.2
57.28498	1.0
57.66153	1.0
59.47110	1.0
67.05485	1.4
69.41004	4.6
69.41436	3.7
87.04465	10.5
95.08550	0.9
98.21525	1.8
131.06888	0.9
182.55975	1.1
263.08002	0.9
277.13892	1.0
389.17502	1.9
390.18350	1.5
403.19354	1.7
416.20343	1.4
417.20630	4.4
419.18561	2.0
431.18323	4.8
433.24451	5.7
444.18970	1.6
445.20313	4.6
446.16837	2.7
447.18158	4.3
459.21869	41.7
460.23068	8.9
461.23169	4.8
473.23074	3.8
475.21362	18.6
476.21872	3.6
477.22482	1.4
487.24503	3.1
489.22864	1.5
503.24649	1.8
505.25888	1.5
519.23676	9.2
531.23627	2.9
533.22021	3.6
535.22888	4.8
545.25311	3.3
546.25995	2.4
547.27258	28.0
562.25598	1.2
563.26538	6.8
574.25464	3.3
590.25214	1.7
591.26019	4.6
593.23859	6.0
602.27429	1.3
605.27545	5.6
606.28369	100.0
607.29193	8.8
622.27856	75.0
623.27856	3.8
630.26581	3.3
662.29755	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	662.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31573	1.7
53.03923	2.0
55.05514	14.3
55.55598	1.6
57.03433	9.2
57.07084	8.5
59.04987	2.6
61.02909	2.8
67.05506	65.1
68.81857	1.6
69.03444	1.5
69.07079	19.4
71.04996	3.6
71.08629	5.1
71.56119	1.5
79.05509	9.6
79.05936	1.8
81.07052	26.9
83.08623	17.1
85.02896	5.1
85.06547	2.2
87.04474	19.6
90.63910	2.0
91.05495	5.3
93.07034	10.8
95.08607	16.4
97.02892	2.4
97.06547	3.0
97.10165	8.1
98.09693	4.1
101.06043	1.6
105.07047	3.3
107.08603	7.7
109.10162	61.0
111.08086	2.9
119.08575	4.4
121.10126	9.6
135.11699	6.7
137.09604	2.4
153.12715	2.1
155.10654	5.4
159.57394	2.0
167.18323	1.7
173.11757	15.9
196.07336	5.1
229.14357	100.0
237.22220	2.2
252.16084	2.3
269.19809	1.8
277.21686	4.0
311.22171	3.5
311.25800	70.0
465.35782	56.8
490.30743	2.3
594.06622	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.9
55.05524	23.9
57.02777	11.8
57.07066	39.4
59.04993	24.0
67.05507	65.9
67.52203	11.5
69.03454	11.2
69.07056	32.8
71.04966	10.9
71.08624	49.8
71.56061	14.4
71.87470	9.3
73.02905	11.1
79.05500	56.4
81.03445	10.0
81.07084	63.1
83.04990	19.1
83.08639	13.4
85.10172	25.0
91.05495	73.9
93.07043	60.5
94.07450	12.8
95.08587	55.4
97.02825	14.5
97.06515	19.7
98.21272	12.1
104.15968	9.5
105.07039	100.0
107.04925	15.1
107.08587	32.7
109.06545	10.1
109.10165	23.1
117.07031	22.0
119.08577	45.9
121.05105	9.9
121.10144	16.7
129.06998	19.5
131.08589	24.8
133.10097	42.4
135.11664	26.6
136.06145	22.8
137.52826	11.7
141.66759	11.7
145.10135	17.9
147.11644	24.1
161.13283	19.9
171.11662	11.8
179.14282	10.9
180.14613	17.0
187.11191	9.5
259.20657	23.0
275.20062	52.4
278.21811	10.0
291.19550	16.0
315.23093	14.8
331.04648	11.4
333.24084	27.3
349.23654	16.0
351.24887	18.9
445.57071	10.6
591.22327	12.1
607.43408	44.4
642.44080	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.9
57.07078	39.0
59.05007	14.7
67.05499	4.6
69.07068	3.0
69.64152	4.2
69.64590	2.7
71.08633	82.1
73.06556	4.0
79.05490	2.9
81.07069	4.5
83.08615	1.9
85.10186	40.6
87.04476	14.7
89.06034	100.0
91.05483	2.4
91.07632	1.5
93.07066	2.6
94.07424	1.1
95.04972	1.1
95.08574	2.5
97.06607	1.2
97.10171	1.6
103.07611	7.1
105.07055	3.4
107.07085	2.1
107.08619	1.9
117.09138	3.6
119.08571	1.9
121.06549	1.3
121.10292	1.1
127.14849	4.2
130.08649	2.3
131.07043	4.6
133.08609	75.1
175.09717	3.2
177.11217	30.9
185.19025	4.8
191.97198	1.1
219.12332	1.4
221.13910	4.7
229.14236	1.2
229.21658	4.6
239.14934	1.9
247.61208	1.1
283.17441	3.1
309.19186	1.5
353.21902	1.5
371.22501	1.1
374.86505	1.2
415.25256	2.0
459.27832	10.2
643.46057	2.4
660.36517	1.2
660.48376	3.6
689.23877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.0
57.03423	1.7
57.07078	100.0
58.04216	5.7
59.05006	34.0
60.32008	1.8
67.05497	7.5
69.03419	2.4
69.07069	7.3
70.73116	3.7
71.08635	67.8
72.05756	7.1
73.02908	5.9
73.06564	10.0
79.05479	5.7
81.03435	3.5
81.07067	11.1
83.04947	2.0
83.08624	9.3
85.06523	2.6
85.10188	57.0
87.04481	13.1
87.08068	2.7
89.06053	15.1
90.01391	2.9
90.01917	30.6
91.05472	5.4
93.07040	8.5
95.04958	2.8
95.08626	12.2
97.02887	2.2
97.06508	3.0
97.10164	5.4
99.11731	11.2
103.07581	7.0
105.07033	2.6
107.08589	5.6
109.10159	6.7
113.13268	2.9
115.07565	1.6
116.08312	2.9
117.09135	10.9
119.08591	2.9
121.10118	4.8
123.11655	2.1
131.07001	2.3
131.08575	3.0
133.08601	9.4
133.10104	2.7
134.35219	1.8
136.06194	3.0
145.08711	1.9
145.10081	2.7
147.10217	2.2
147.11739	2.4
152.15573	3.0
155.17949	7.0
161.11725	4.5
161.13242	2.0
170.58327	1.9
177.11197	3.9
177.16426	8.9
178.07076	4.3
179.12807	2.9
179.14326	2.3
180.12257	1.9
181.10054	1.6
183.17451	3.6
195.00314	1.9
195.17442	4.8
213.22101	7.1
214.28070	1.6
222.09756	4.8
222.17012	3.0
237.16891	2.4
241.21878	1.9
252.17839	1.9
256.34662	1.6
266.19583	2.2
268.17590	1.9
270.25656	1.7
271.26318	3.3
275.20053	2.7
282.19168	3.3
296.20596	2.4
312.20200	2.8
324.23904	3.2
372.18729	4.0
376.34201	2.4
420.36624	6.5
481.74710	1.9
508.42087	12.1
526.29004	1.9
547.39990	2.3
568.44250	2.4
578.98151	1.9
600.38226	1.8
659.44250	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05511	6.9
57.03436	5.9
61.02924	1.9
65.03934	1.3
67.05505	29.3
69.03428	2.0
69.07071	9.4
70.06570	2.1
71.04993	2.1
71.55780	1.4
72.08159	1.8
74.11092	1.2
79.05500	18.5
81.03403	3.3
81.07062	39.8
83.04994	3.6
83.08625	9.7
85.02916	2.3
85.06554	1.2
89.06031	1.5
91.03971	1.1
91.05484	13.8
93.07050	29.6
95.04968	2.5
95.08618	13.5
97.02888	3.5
97.06516	6.0
97.10152	2.7
103.30994	1.3
105.07034	6.1
107.04945	1.2
107.08600	17.5
109.06525	1.3
109.10193	2.8
111.08092	4.6
117.07018	6.8
119.08576	4.6
121.06487	1.4
121.10146	9.4
123.11710	2.2
129.07028	2.4
131.08571	8.8
133.06580	1.2
133.10126	9.2
135.08044	1.5
135.11679	6.2
141.07001	1.2
143.08546	3.1
145.10156	3.1
147.08026	1.5
149.09593	1.1
149.13263	13.3
151.11183	1.1
155.08664	1.4
157.10088	1.2
159.11688	7.0
173.13194	1.1
177.12718	2.7
195.12064	1.4
195.13794	8.0
251.16586	1.9
269.17477	31.9
296.90082	1.2
353.24823	2.4
371.25879	2.2
373.49200	1.2
427.28549	1.4
445.29611	13.5
463.30551	100.0
464.31198	2.6
607.34735	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50355	1.6
53.03949	7.3
54.75632	1.6
55.01863	4.5
55.05515	11.0
57.03446	21.0
57.07083	2.1
58.21119	1.8
61.02930	75.9
67.05170	2.7
67.05511	37.5
69.03434	30.2
69.07075	9.1
70.94131	3.2
70.94447	2.0
71.01338	4.2
71.04992	5.5
73.02931	23.2
79.05504	26.7
81.03418	19.0
81.07063	41.9
83.04973	5.0
83.08612	6.6
85.02911	100.0
87.04467	4.9
89.06054	2.0
90.29221	1.7
91.03963	56.1
91.05474	17.4
93.07049	25.9
95.04941	5.2
95.08617	29.7
97.02901	68.3
99.04459	10.0
99.08095	3.2
101.02371	7.9
103.03940	4.9
105.07047	17.3
107.04931	2.2
107.08595	18.7
109.02884	8.8
109.06522	3.9
109.10163	13.7
111.04477	2.9
115.03949	6.6
117.05495	2.0
117.07051	5.4
118.75060	1.9
119.08589	11.9
121.10151	16.6
123.11713	6.4
125.09626	1.9
127.03922	29.7
129.05476	5.0
131.08568	9.7
133.10121	8.4
135.08080	2.3
135.11707	9.9
135.60062	1.8
143.08534	2.4
145.04967	25.0
145.10136	8.3
145.41870	1.7
147.11679	5.3
149.09607	3.3
149.13293	5.5
157.10109	2.3
159.06557	2.3
159.11716	7.5
161.13226	3.5
163.06009	7.5
163.14967	2.3
171.11678	3.0
173.13286	6.4
175.14891	2.3
177.12782	2.3
183.06538	5.8
185.13309	2.5
187.14845	2.4
201.07535	3.2
243.21066	6.7
251.28079	1.7
256.26422	1.7
259.20621	2.7
261.22125	14.9
275.20013	2.7
279.23248	1.9
293.20621	1.8
312.61365	2.0
315.23178	2.0
335.25833	60.5
349.23584	2.1
363.25327	2.7
443.27698	3.2
461.28464	2.1
479.29828	5.3
497.31967	2.1
659.35834	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	659.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.01870	7.1
55.05516	15.9
57.03440	18.1
57.07079	5.7
60.48738	1.8
61.02932	84.6
65.03948	3.7
65.73888	1.7
65.76585	2.0
67.05511	49.7
69.03432	36.3
69.07069	11.2
70.06593	3.2
71.01345	3.4
71.04993	6.7
71.55325	3.0
72.08161	2.7
73.02924	30.2
79.05495	34.7
81.03429	27.4
81.07063	52.4
83.04981	6.3
83.08625	7.0
85.02909	100.0
85.06548	2.9
85.62060	1.8
86.74496	1.9
87.04454	2.2
90.42657	1.7
91.03957	57.8
91.05489	22.7
93.07053	47.0
93.45836	1.7
95.04981	10.2
95.08614	34.3
97.02895	80.7
97.06569	4.1
99.04480	11.3
101.02386	7.9
103.03959	8.6
105.07046	24.1
107.04962	3.5
107.08588	24.8
109.02888	14.5
109.06497	2.5
109.10165	14.3
111.08105	3.3
115.03947	4.8
117.05516	3.0
117.07037	15.3
119.08594	13.3
121.06565	2.8
121.10122	14.3
123.04452	3.1
123.08108	3.2
123.11716	7.0
125.09631	4.8
127.03056	3.5
127.03921	29.6
128.06163	2.4
129.05492	3.9
129.07043	5.6
131.08585	19.4
133.06471	3.5
133.10110	13.6
135.08064	2.9
135.11708	13.8
136.72798	1.6
137.09587	2.3
137.13293	4.7
139.11249	2.0
142.07803	2.9
143.08588	5.0
145.04962	19.8
145.10181	13.0
147.08063	2.5
147.11717	12.2
149.09659	3.9
149.13281	11.4
151.14877	2.3
153.05507	3.6
157.10153	6.7
159.08081	3.8
159.11723	9.0
161.13237	6.7
163.03978	2.5
163.06085	5.2
163.11240	2.6
163.14841	7.2
169.10150	1.9
171.11658	4.0
173.13290	8.5
175.11145	3.2
175.14799	4.9
183.06543	5.4
183.08029	2.7
183.11745	3.2
185.13264	4.0
187.14839	7.1
191.14403	3.0
199.14882	2.6
201.12898	2.0
201.16452	2.8
204.06635	2.0
205.15887	3.1
225.12671	2.4
243.21143	9.1
259.20651	4.0
261.22098	20.5
269.33224	1.9
277.21649	4.3
283.14313	2.9
285.22153	2.9
303.23105	8.2
315.23163	4.8
317.24753	4.3
335.25848	44.0
341.24704	2.5
345.24542	2.7
351.23126	5.8
356.95990	2.4
369.24420	8.4
377.26672	9.8
387.25159	3.2
389.26849	4.7
391.58014	2.2
405.26144	3.8
419.27789	3.5
425.26874	3.3
431.27985	3.2
443.28061	17.5
461.29318	11.5
479.29861	12.4
497.30948	6.6
659.36127	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	659.2346
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
54.69725	0.9
55.01869	1.7
55.05518	2.3
57.03439	1.0
59.36657	0.8
67.05509	5.0
69.07076	1.8
69.54472	6.1
70.06592	1.4
73.02917	1.3
79.05502	3.4
79.25024	0.9
81.07054	4.0
83.08640	1.4
89.06025	1.1
91.05497	2.3
93.07022	4.1
95.08629	2.5
105.07047	3.0
107.08595	2.1
109.06580	1.0
117.07064	1.0
119.08627	1.3
121.10149	1.6
123.08090	0.9
133.10181	1.2
135.11725	1.2
137.57028	0.8
145.10120	1.6
157.10126	1.0
159.11693	1.4
195.31384	0.9
202.26404	0.8
255.58844	0.9
275.20248	1.7
385.13077	1.1
386.13855	1.1
399.14615	3.3
400.15179	6.5
401.15958	1.7
413.15997	3.2
414.17001	4.3
421.13242	2.2
422.13782	5.7
423.14505	5.6
424.15784	1.8
425.16153	2.1
427.18021	1.3
428.18311	1.3
429.18958	3.4
435.14554	3.7
436.15683	6.2
437.16394	10.9
437.52979	0.9
438.16962	2.5
439.17682	1.3
441.15784	1.9
443.17191	1.4
449.16437	1.6
450.16953	3.7
451.18164	6.5
452.18436	3.3
453.15619	1.1
455.17636	2.1
456.17899	2.0
457.18097	1.6
459.16815	1.0
464.14969	4.0
465.15302	3.4
465.20273	2.0
467.17221	3.0
469.14914	1.8
470.15811	1.6
477.15945	1.4
478.16333	3.3
479.17029	3.2
480.18137	4.6
481.14536	2.0
482.15414	2.0
483.16623	5.0
484.17200	5.1
493.18961	9.7
494.15881	3.4
494.20529	1.6
495.16284	5.5
496.17389	2.5
498.15302	3.7
506.15610	2.0
507.16785	2.4
508.17404	8.5
509.18112	5.5
510.14853	1.6
511.18393	1.9
512.16675	13.1
513.17181	1.2
520.17279	1.0
521.18311	12.5
522.16046	2.9
522.18884	3.3
525.21320	1.5
526.15289	1.3
539.19379	3.7
540.19647	5.6
543.22406	3.4
549.18213	1.6
550.17725	1.0
553.20923	16.2
571.22003	3.2
572.22247	6.3
581.20343	46.2
582.20471	2.5
599.21088	28.7
600.21350	6.7
609.20166	1.3
613.22913	17.9
614.23291	1.4
622.23370	3.3
627.20721	2.0
631.24323	4.2
641.22461	100.0
642.22510	5.9
659.23431	32.5
659.43738	1.4
660.23285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2266
Annotation	Sorocein B
Peak:m/z	Relative Intensity
51.47312	14.2
52.28584	15.0
57.07063	16.8
59.41428	12.1
61.16948	11.0
67.05492	20.7
69.07054	13.1
69.98859	62.2
79.05448	20.0
81.07066	31.2
89.06004	44.9
90.75056	11.6
93.07033	16.7
104.79155	11.9
105.07030	24.7
109.10163	20.1
133.08574	33.4
177.11093	17.1
281.33408	12.5
326.49554	15.1
355.28278	12.8
659.22809	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
56.38734	0.8
57.07079	100.0
58.04532	0.7
59.05005	21.7
67.05494	3.2
69.07069	2.8
69.23388	8.1
71.08636	69.3
73.06552	1.7
75.37438	0.8
79.05482	1.6
81.07053	3.3
83.08622	2.6
85.10188	62.6
87.04478	8.3
89.06037	75.6
91.05483	2.5
93.07056	2.2
95.05004	1.0
95.08611	2.3
97.06535	1.2
97.10154	2.8
98.21461	1.5
99.11752	11.7
101.09689	1.2
105.07053	1.6
107.07058	1.4
107.08568	1.6
109.10143	1.4
113.13294	4.4
117.09127	4.5
119.08569	1.9
130.08659	1.2
131.07056	4.1
131.08540	0.8
133.08611	54.3
155.17966	10.4
159.11682	1.0
175.09711	2.1
177.11240	21.8
202.86830	0.8
213.22168	13.2
221.13829	4.5
239.14877	1.5
271.26205	4.8
283.17410	2.6
327.20230	1.9
371.22772	13.0
395.06052	0.9
411.26056	1.2
414.33313	0.8
429.27167	1.9
459.28104	4.0
460.18057	0.8
463.65277	1.0
641.44849	0.9
658.50787	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	657.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	1.6
67.05497	3.4
70.08916	5.7
79.05509	3.3
81.07053	3.9
83.08614	2.7
91.05486	1.9
93.07044	4.0
95.08619	3.3
98.21461	1.6
105.07028	2.1
107.08593	2.2
108.38028	1.4
135.11716	3.2
163.11108	1.9
164.59567	1.3
211.12393	1.5
221.10577	1.8
227.12769	2.1
232.09972	1.6
237.13980	3.0
247.12384	2.0
251.15353	1.5
261.13870	2.2
273.13834	3.4
288.15509	1.5
314.13138	1.8
314.16562	2.7
316.14453	1.9
316.17932	1.6
324.14993	1.9
326.16452	2.0
337.15701	1.6
338.16373	1.8
350.16382	1.5
351.16400	1.8
352.18097	2.5
361.14523	1.6
362.16599	2.2
363.16562	2.1
364.17728	2.2
365.17993	2.3
367.19208	2.1
374.16626	1.8
376.17117	1.6
377.17761	3.2
378.19135	2.9
379.19150	6.3
381.20734	2.5
389.18030	1.4
391.19101	5.5
392.20837	2.1
393.16959	4.0
394.17892	1.9
395.18311	1.6
403.19803	1.7
405.20749	5.2
407.18262	3.8
407.22839	3.6
408.19400	4.8
409.20151	7.7
419.18454	3.4
421.20071	6.1
422.21149	3.4
423.22000	18.0
426.21136	1.6
431.18805	1.7
433.20593	2.1
435.21918	11.2
436.22440	4.1
437.23340	6.6
438.21417	1.9
446.21072	2.8
447.21808	4.3
449.23611	5.1
451.21362	6.5
452.22385	2.9
453.22879	1.9
454.19977	7.0
456.22778	2.1
461.23727	8.8
463.21582	1.9
464.21957	3.2
465.22543	5.2
467.24271	5.4
468.25168	4.2
477.23093	7.2
478.23425	5.9
479.25003	7.3
480.22147	2.5
481.21597	2.1
491.20486	2.0
493.21323	8.0
494.27097	9.6
495.23727	17.5
496.24799	7.0
506.22412	1.7
507.24066	3.8
508.24857	19.7
509.25906	16.6
510.26459	15.5
511.27393	13.4
516.25092	2.3
519.23737	3.7
521.25739	8.4
522.25714	4.4
523.23688	9.2
525.28564	4.2
526.29321	4.3
537.25171	22.2
538.25903	12.9
545.38104	2.5
549.24817	2.6
551.23010	1.7
553.28351	12.6
565.24359	4.6
569.27313	1.6
570.28455	6.0
581.27588	26.4
583.25189	8.6
595.28986	2.1
597.27057	64.4
598.27600	11.4
607.25336	1.8
613.20123	3.3
613.30249	80.1
625.26581	100.0
626.26605	5.4
657.29016	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	656.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.73576	0.5
56.97184	0.4
57.03455	0.6
57.05820	0.6
65.03941	3.9
69.03439	4.1
70.06606	1.2
70.45486	1.7
71.04985	0.6
71.90697	0.4
72.08150	0.7
81.03426	6.3
84.04500	0.4
85.02911	3.1
88.04028	1.0
91.05480	0.9
93.03382	0.5
94.34956	0.4
95.02935	0.4
95.04972	2.1
97.02892	2.5
99.04462	0.5
107.04948	1.8
109.02870	3.5
111.04440	4.4
119.04923	0.7
120.08136	0.8
121.02874	100.0
122.03259	0.5
123.04436	1.0
127.03931	1.8
135.04431	7.3
137.02382	0.4
137.05978	0.9
139.03912	15.5
145.05000	0.8
147.04410	1.0
147.83539	0.5
163.03897	3.3
166.08650	29.7
181.04982	8.0
188.30568	0.4
196.09573	0.5
212.09189	59.1
213.09570	0.8
265.07111	6.0
283.08212	3.7
302.10342	0.8
374.14359	0.9
445.13196	0.9
476.15671	0.5
494.16608	12.0
656.12268	0.6
656.21796	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	657.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.0
57.07082	4.6
59.04990	3.0
60.05643	1.0
65.16090	0.7
67.05505	2.9
67.83624	0.8
69.07067	1.2
70.96525	1.5
71.08633	4.2
72.00320	0.9
79.05501	1.8
79.64179	0.9
81.07043	3.9
83.04977	1.1
83.08630	1.6
85.10184	3.4
85.53590	0.8
89.06037	1.0
91.05486	1.7
93.07056	3.3
95.08601	2.5
105.07035	1.3
107.08601	1.8
115.28083	0.8
117.09140	1.2
119.08561	1.2
121.10165	1.0
130.06563	1.3
135.11682	1.1
144.08089	0.9
145.10101	1.5
146.09630	1.0
158.09564	1.0
163.11263	1.2
174.09181	1.4
197.10588	0.8
199.20497	1.0
209.10741	1.0
210.11722	0.9
211.12100	0.8
212.23885	0.9
220.10040	1.0
221.10791	1.0
222.11519	0.9
223.12326	2.0
224.12979	1.1
227.12866	2.0
228.24533	0.8
233.10776	1.5
234.11450	1.1
235.12367	2.8
237.13788	1.5
238.14755	1.0
239.11800	0.9
239.15285	0.8
247.12337	1.3
249.13873	1.6
259.12402	1.0
261.13867	2.4
262.14395	1.0
273.13849	2.9
274.13483	1.3
275.15369	1.3
276.15109	1.3
287.15121	1.2
288.15247	1.4
299.14523	0.8
304.14398	1.4
314.13150	1.0
314.16687	2.4
316.14703	0.9
316.18301	0.8
318.15842	1.1
319.17618	1.0
324.14673	1.5
325.15845	1.3
326.13116	1.2
326.16562	1.6
335.28680	1.0
337.15564	1.5
338.16266	1.4
340.18253	1.3
350.16177	1.1
351.16336	1.2
352.18130	1.5
354.15967	1.2
360.14484	0.9
361.14752	1.0
362.16113	1.1
363.16190	2.5
364.17612	2.6
365.17896	3.8
366.19171	1.2
374.16516	1.1
375.16119	1.6
376.17822	1.6
377.18039	4.0
378.18784	2.6
379.19513	5.6
380.16373	1.1
381.20807	2.3
389.17816	1.3
390.19391	1.0
391.19522	5.2
392.20206	2.7
393.17059	3.5
393.20856	3.2
394.17746	1.6
395.18207	0.9
395.22809	1.0
402.15219	1.1
403.19211	1.0
404.16632	1.3
405.20773	3.3
406.22012	1.6
407.17844	4.5
407.22928	2.1
408.19205	4.2
409.20193	8.2
409.24765	1.1
418.18353	1.3
419.18726	2.6
421.19595	6.0
421.24402	2.8
422.21143	5.1
423.21848	21.0
424.22949	1.6
426.21045	1.0
431.18561	1.1
433.20416	4.2
434.21066	1.2
435.22205	8.0
436.22705	4.4
437.24026	5.4
446.13458	1.5
446.20706	2.8
447.21460	2.7
448.19974	1.7
449.24048	6.8
450.24448	2.1
451.20926	5.6
452.22888	2.5
454.19946	5.6
456.23117	1.7
461.23672	7.7
462.20737	1.0
463.21228	4.7
464.21921	2.6
465.23654	4.2
466.24030	1.9
467.24771	4.5
468.24783	3.2
476.22406	1.6
477.23096	7.6
478.23703	3.2
479.24255	4.3
481.22235	3.5
492.21243	1.0
493.21738	7.7
494.27054	7.6
495.23804	15.9
496.24741	5.9
505.22464	2.2
506.22687	1.8
507.23782	2.8
508.24741	17.8
509.25745	12.9
510.26340	13.2
511.27402	12.8
516.24640	1.2
519.23975	2.7
521.25787	5.7
522.25800	3.6
523.23346	5.5
524.23901	1.2
525.28387	3.0
526.29181	3.4
537.25031	22.1
538.25739	11.7
539.26355	1.0
545.38458	5.1
549.24969	2.7
551.23010	2.3
553.28442	8.8
555.26141	2.5
565.24316	4.0
566.24872	1.8
570.28357	5.7
581.27612	24.2
582.25537	1.5
583.25739	7.9
595.28992	1.3
597.27118	55.7
598.27722	8.7
607.25293	1.8
613.30237	68.0
614.30444	2.0
625.26581	100.0
626.26251	5.1
657.29425	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	655.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01873	1.5
55.05512	5.8
57.03436	4.2
57.07083	37.8
57.44198	0.8
61.02933	8.4
67.05510	12.3
69.03437	2.2
69.07079	7.6
70.95975	2.4
71.08636	28.7
72.08151	1.4
73.02924	3.5
75.04487	2.4
78.07826	1.0
79.05495	3.3
81.07063	16.8
83.08627	13.7
85.02917	9.2
85.06567	1.1
85.10184	16.1
86.80385	0.9
89.06025	1.7
91.03951	8.6
91.05479	2.6
93.07059	2.0
95.08619	23.5
97.02896	4.2
97.10163	6.5
99.11747	1.5
105.07012	1.5
109.10172	10.7
111.11706	1.4
115.03980	1.2
119.08638	1.2
123.11715	5.0
125.13312	1.2
127.03914	2.2
130.64262	1.1
131.08531	1.3
137.13295	2.8
145.04987	5.1
163.06047	3.8
211.73643	0.9
213.43877	1.0
218.87801	0.9
221.22598	1.0
239.23709	25.0
246.12979	0.9
255.01733	1.1
257.24768	3.6
313.27383	100.0
314.27853	1.7
331.28491	15.1
331.46036	1.0
334.97299	1.1
475.32428	1.9
477.41650	0.9
524.90698	0.9
530.55725	1.1
577.24139	3.7
605.83447	1.0
607.44055	1.0
655.27606	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	655.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01862	1.1
55.05515	4.4
57.03420	1.5
57.07080	0.8
59.05005	0.6
61.02931	1.7
65.03927	0.7
67.05508	4.6
68.99778	0.4
69.03430	5.8
69.07072	16.2
70.06602	2.0
70.12520	1.1
70.12924	0.7
71.04979	1.2
72.08154	1.0
73.02927	0.4
73.06522	0.3
79.05495	2.2
81.03418	2.7
81.07060	11.0
81.95895	0.4
83.01332	1.0
83.04990	0.5
83.08637	2.2
85.02432	0.6
85.02916	8.2
85.06534	0.8
87.04457	0.8
89.03890	0.5
91.05492	2.8
93.07044	4.9
95.01328	0.5
95.04962	1.9
95.08625	5.9
97.02895	4.7
97.06529	1.6
97.10174	0.9
99.00820	3.3
99.04459	2.4
99.08073	0.5
105.07035	3.1
107.08601	3.3
109.02855	2.3
109.06546	1.3
109.10158	5.0
109.10837	0.6
111.11724	1.9
113.02370	0.9
117.01888	0.8
117.03397	1.1
117.07014	0.8
119.04943	0.9
119.08583	2.3
121.02917	0.4
121.06483	0.6
121.10152	2.0
123.08074	0.6
123.11700	2.7
125.05974	0.9
125.09659	0.4
127.03936	2.1
127.11223	0.6
129.06998	0.5
131.08582	0.9
133.06541	0.6
133.10146	2.4
135.04427	0.9
135.08047	1.0
135.11697	1.5
137.06020	2.1
137.09679	0.5
137.13235	0.4
139.07561	0.8
139.11197	0.8
145.01895	0.3
145.02814	2.1
145.04921	0.5
145.10187	1.1
147.04413	1.1
147.08093	0.7
147.11708	1.8
149.02328	1.0
149.06026	1.2
149.09639	0.7
149.13297	0.6
151.03926	1.1
151.07521	2.0
151.11203	0.5
153.05479	2.7
155.07062	1.1
157.10121	0.6
159.11723	1.0
161.05951	1.5
161.09720	0.6
161.13245	0.7
163.03923	1.6
163.07567	1.1
163.11226	0.6
165.09102	2.3
167.07126	0.5
171.08035	0.5
175.07472	2.6
175.11201	0.5
175.14731	0.5
177.05479	6.6
177.09109	1.4
179.10716	1.2
181.04979	7.0
183.06549	3.2
183.11812	0.4
189.09103	2.6
191.07011	1.2
191.10767	0.9
193.12219	0.7
195.06528	15.9
203.07098	0.4
203.10715	1.5
203.17996	0.5
205.08664	1.3
205.12263	0.7
207.06570	1.6
207.10205	0.4
207.13780	0.5
209.08098	8.1
209.11368	0.4
211.15219	0.5
217.08577	0.5
217.12329	0.6
219.10135	0.8
221.08078	2.8
223.09663	10.8
231.13861	1.5
235.09744	2.5
237.11229	6.0
240.47401	0.4
245.15398	0.6
247.09753	0.5
249.11304	3.5
251.12784	1.8
255.13858	0.5
257.19086	0.6
261.11148	0.5
263.12839	1.6
265.14285	0.5
271.16873	0.5
271.20349	0.4
275.12885	0.5
277.14410	0.5
289.14478	1.4
291.15903	3.5
293.17435	0.5
301.03409	0.6
302.04306	1.7
303.16086	0.7
305.17459	6.1
307.19025	3.7
315.16037	1.1
317.06586	3.4
317.17676	0.5
319.19012	3.9
329.16592	0.4
333.17093	1.9
336.26321	0.4
347.18588	0.4
377.23248	1.6
407.10471	0.4
457.29398	1.6
475.30658	8.2
493.31628	100.0
494.31900	3.4
580.61902	0.4
655.37268	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	655.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
57.44827	0.2
61.24397	0.2
67.05514	0.7
69.24615	0.4
69.25035	1.7
75.04479	0.4
79.05504	0.4
81.03438	0.2
81.07063	0.6
91.05488	0.5
93.07059	0.4
94.12897	0.2
94.49653	0.2
95.08644	0.2
97.06535	0.2
105.06989	0.4
109.06512	0.2
137.05986	1.1
138.06314	0.4
169.76219	0.2
195.54907	0.2
197.11784	0.6
198.12221	0.2
239.11922	0.2
261.89166	0.2
309.12512	0.2
329.40707	0.2
377.17780	0.4
379.19308	0.4
390.18439	0.2
391.19254	1.0
391.27023	0.2
393.20770	0.6
404.20151	0.4
405.16257	1.3
405.21011	0.9
406.17734	0.5
406.22073	0.5
407.17798	0.3
407.22433	4.0
408.22949	0.4
410.17685	0.3
418.18042	0.7
418.22479	0.3
419.18106	3.3
419.22891	0.7
420.19553	0.9
420.24030	0.4
421.19803	1.3
432.19623	0.5
433.15555	0.5
433.20715	5.4
434.21201	4.5
435.21841	8.5
436.22781	1.0
446.21173	0.6
447.17868	1.6
447.22235	1.9
448.18851	0.8
448.23373	0.6
449.19138	1.7
451.21579	0.3
461.19745	1.7
461.24350	0.7
462.20200	4.6
463.21350	3.8
464.22278	0.4
465.23578	0.4
475.21030	1.7
476.22083	1.3
477.23108	1.4
478.24246	0.3
479.20355	1.1
481.26230	0.4
489.22879	1.1
490.24063	0.3
491.24313	0.3
493.22461	0.8
493.27405	0.3
494.23132	0.3
495.23804	1.4
505.22238	0.4
506.23297	0.4
507.20209	0.7
507.24228	0.7
508.24796	2.0
509.25632	2.1
510.25842	0.3
520.25348	0.2
521.25702	11.3
522.25684	0.3
525.24988	0.2
534.23102	0.3
535.23053	0.3
535.27740	0.4
540.27240	0.3
547.27557	0.2
549.25031	18.8
550.25427	1.0
553.24249	1.0
563.26691	3.0
564.27240	0.8
565.26923	0.4
567.25763	0.3
577.24554	0.3
580.23743	0.3
581.27563	3.2
591.25604	0.3
595.29321	8.8
596.29486	0.6
607.28992	0.5
609.27087	10.4
610.27710	0.5
623.28558	1.2
655.31287	100.0
656.31610	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	655.2764
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.05516	0.8
57.03437	0.6
67.05501	2.2
69.07076	0.5
70.06598	0.7
71.56399	0.6
72.10686	0.4
78.73336	0.4
78.94710	0.5
79.05504	2.1
81.03473	0.5
81.07057	1.9
83.04986	0.5
91.05482	1.9
93.07042	1.8
95.04991	1.0
95.08640	1.0
97.06547	0.5
97.91788	0.4
105.07024	1.9
107.04984	0.9
107.08636	0.9
109.06554	0.8
109.10184	0.7
113.05975	0.6
119.08583	0.7
121.10245	0.6
129.06984	0.5
131.08586	0.9
132.99039	0.5
135.08046	0.6
145.10207	1.2
147.11665	0.6
149.09589	0.6
161.51755	0.5
163.11179	0.4
225.39935	0.5
273.18484	0.6
289.18204	0.5
291.19601	1.0
319.13440	0.5
363.16949	0.5
376.16797	0.9
377.17758	1.5
379.19406	0.8
390.18533	0.8
391.19272	2.0
392.20111	1.0
393.21039	1.3
403.19687	1.0
404.15988	0.6
405.17075	2.0
405.21768	2.2
406.21939	1.0
407.18423	0.5
407.22525	4.4
408.23019	0.8
417.16882	0.7
418.18045	1.6
419.18332	6.4
419.23679	0.8
420.19550	1.7
421.20309	2.1
433.20486	9.7
434.21085	6.4
435.21835	6.5
439.21436	0.6
446.20850	0.7
447.18201	2.0
447.23022	0.8
449.20016	1.3
461.19760	1.7
462.20547	3.4
463.21539	3.7
465.19162	1.1
475.21451	1.7
479.20380	1.1
489.22986	1.5
490.20401	1.3
491.20844	1.3
493.22534	1.6
498.53726	0.6
503.20782	0.8
505.22974	0.8
507.24002	0.9
509.21725	0.6
517.22455	0.7
520.24634	1.0
521.25659	8.7
548.23999	0.6
549.25073	13.1
552.24103	0.7
565.24634	1.3
577.24402	8.1
579.22601	0.8
580.26379	1.5
581.27838	1.7
595.25586	4.7
605.23633	0.9
609.27045	3.4
619.17084	0.6
637.26697	7.2
637.38251	0.6
637.40546	0.5
655.27673	100.0
656.28009	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	655.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74162	1.4
57.93851	1.5
59.29646	1.5
70.80215	1.5
70.80553	3.4
90.54834	1.3
91.05431	1.5
98.72953	1.9
106.93223	1.7
115.64816	1.5
156.99574	1.5
169.23065	1.5
192.49934	1.8
227.87294	1.8
237.10306	2.5
239.11794	1.9
265.13419	1.9
394.14258	1.7
417.16925	2.2
418.17459	1.9
433.20416	3.2
445.20645	1.9
447.21747	5.9
460.18860	2.1
461.19760	5.7
462.20676	2.0
475.21344	15.5
476.21988	6.0
489.23163	1.9
491.20935	2.4
503.20569	4.6
535.23584	8.3
537.21277	2.9
547.23682	2.2
562.25989	2.9
563.26263	6.9
565.24023	2.0
567.25659	2.3
579.25708	2.9
590.25476	2.4
593.26233	1.8
594.28009	5.4
595.25189	4.7
605.23975	1.9
606.24762	1.8
607.25580	3.5
609.27051	3.5
622.27905	100.0
623.26782	8.7
627.27808	5.2
637.26587	5.2
638.26978	6.3
655.27740	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	654.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56473	1.2
53.03934	3.9
55.01861	4.1
55.05517	6.7
57.03430	6.4
57.07068	3.9
59.05006	1.8
60.54065	1.2
61.02914	3.7
65.03932	1.3
67.05506	7.5
69.03433	22.2
69.07066	9.2
70.06587	6.2
71.04997	7.4
71.05560	1.3
71.55216	2.4
72.08157	4.4
73.02912	3.7
79.05505	6.6
81.03419	15.5
81.07061	13.9
83.04972	5.8
83.08620	8.2
84.08144	1.9
85.02909	47.1
85.06531	3.7
86.09686	2.4
87.00838	15.2
87.04473	1.4
91.05485	9.6
93.07058	12.1
95.04974	46.2
95.08605	11.3
97.02890	21.9
97.06539	15.6
99.04460	20.9
99.08087	2.0
105.01176	2.0
105.01864	22.2
105.07034	17.7
107.08602	22.7
109.02874	16.0
109.05796	1.7
109.06528	24.6
109.10154	26.5
111.08105	3.1
115.03928	1.8
115.07557	1.9
117.01854	1.9
117.07033	2.0
119.04955	2.3
119.08578	14.7
121.06496	2.2
121.10135	16.9
123.04450	1.3
123.08064	7.7
123.11712	4.5
125.09632	2.0
127.03924	32.2
131.08578	15.8
132.03690	1.4
133.10138	65.7
135.08055	10.5
135.11671	10.8
138.05328	1.2
139.11177	30.9
143.08524	3.1
145.02875	4.2
145.04959	13.2
145.10127	7.7
147.04419	3.9
147.11684	18.0
149.06042	2.5
149.09601	1.5
149.13295	8.7
150.10423	1.8
151.11165	4.8
152.07088	1.6
153.09109	29.5
158.10924	4.2
159.02921	5.7
163.03885	3.9
163.14874	4.5
165.12785	8.7
167.07008	2.6
167.14288	2.1
171.10181	1.2
173.13278	36.8
175.14832	21.5
177.05498	8.3
191.14316	68.3
193.15886	1.7
207.06512	2.9
209.15369	100.0
213.04002	2.1
225.14961	1.4
227.16428	73.6
228.16518	2.1
231.04945	10.5
249.05971	1.9
448.72626	1.3
500.25461	1.3
654.28033	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	654.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74305	1.7
53.03948	5.6
55.01874	4.0
55.05505	5.2
57.03437	4.5
57.07071	6.1
61.02929	3.9
67.05506	6.4
69.03440	19.8
69.07075	6.6
70.06598	10.2
71.04997	8.4
71.20356	1.7
71.55048	2.5
72.08150	7.3
79.05493	5.2
79.50359	1.6
81.03438	13.7
81.07053	11.2
83.04983	8.1
83.08620	7.2
84.04533	1.6
84.08139	4.3
85.02908	44.9
85.06553	4.7
86.09718	2.2
87.00842	14.5
91.05472	8.2
93.07050	10.5
95.04977	44.2
95.08603	9.7
97.02904	19.1
97.06525	14.2
99.04465	19.8
99.08105	2.3
105.01874	19.5
105.07057	16.7
105.07735	2.4
107.08596	19.9
109.02871	18.4
109.06521	26.8
109.10161	24.3
111.08085	3.3
117.07008	2.1
119.08601	16.2
121.06499	2.2
121.10137	15.9
123.08088	6.9
123.11720	4.3
125.06050	1.7
127.03928	34.5
129.01826	2.6
129.06989	1.9
131.08577	13.1
133.10144	53.9
135.08058	8.6
135.11679	10.7
137.06004	2.1
139.11177	28.6
143.08636	1.8
145.02808	3.4
145.04959	12.0
145.10135	7.0
147.04436	4.7
147.11699	14.8
149.09634	4.2
149.13263	11.9
150.10432	1.8
151.11139	1.9
153.09106	27.0
158.10895	4.0
159.02890	5.3
161.06070	1.9
163.03929	5.2
163.14847	4.4
165.12790	8.4
167.07065	1.9
171.10201	2.0
173.13272	34.7
175.03926	2.0
175.14856	13.7
177.05511	10.4
182.10585	2.1
191.14328	61.7
193.16000	2.1
207.06589	3.2
209.15378	100.0
213.03920	2.1
227.16435	65.2
231.05072	10.2
249.06114	3.1
377.43839	2.0
394.14359	2.6
498.21378	1.9
654.30273	3.2
659.14612	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	654.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
53.53460	0.7
55.01870	2.0
55.05516	1.2
57.03421	2.1
61.02918	1.1
67.05475	1.4
68.99743	0.9
69.03445	6.7
69.38052	0.7
70.06593	7.0
70.80125	0.9
70.80436	1.5
71.05003	1.0
72.04513	1.0
72.08148	2.3
73.02898	2.0
76.62840	0.8
79.05492	3.0
81.03425	6.7
81.07043	2.7
84.04509	1.0
84.08147	1.8
85.02909	14.3
86.09700	1.5
87.00856	3.7
88.03989	1.3
89.03911	1.0
89.06015	1.3
89.81669	0.8
91.05481	7.5
91.99671	0.8
93.07041	1.7
94.06559	0.9
95.04956	2.9
95.08606	1.9
97.02904	9.8
97.06535	1.5
98.06068	1.5
99.04449	2.5
103.05471	2.0
105.01850	2.9
105.07021	6.4
106.04137	1.0
107.04961	9.8
107.08608	1.4
107.46500	0.7
108.04485	1.7
109.02876	6.7
109.06491	0.9
109.10161	1.2
110.06075	1.0
111.05555	0.7
112.09821	0.8
115.05438	2.9
116.07107	1.8
117.07001	2.4
118.08562	0.8
119.04942	4.4
119.08584	2.8
121.06462	1.3
121.10166	2.0
123.04433	7.5
123.08054	1.1
124.05206	1.6
124.07549	0.9
127.03915	10.3
128.06230	1.5
128.07106	1.3
129.07028	4.8
131.04913	3.5
131.08572	1.5
132.05743	2.1
133.06500	3.7
133.10086	1.3
135.04375	1.9
135.07965	1.0
135.11693	1.1
136.05168	2.1
137.06000	3.1
143.08597	1.5
144.05710	0.9
145.02838	3.1
145.04953	2.9
145.06467	3.4
145.10104	1.2
147.04399	4.8
147.08044	2.5
147.11664	1.1
149.05948	2.0
151.03938	2.4
151.07521	2.8
152.04707	1.5
153.05504	6.0
153.80360	0.8
157.06509	1.0
157.10149	0.9
159.02866	2.1
159.04396	1.0
159.08034	5.0
161.05992	8.8
161.09596	1.3
163.03909	2.3
163.07545	1.2
163.11154	1.1
166.08644	1.0
167.07051	100.0
168.07579	0.9
169.06564	1.0
171.08063	1.3
172.05138	1.3
173.05930	1.4
175.07561	18.7
177.05481	6.6
179.07065	6.0
185.02733	4.7
187.07562	14.0
189.09129	4.0
191.07037	9.5
191.08597	1.6
193.08643	3.4
197.02621	1.0
199.07527	4.4
201.09172	1.2
203.08466	1.3
203.17853	0.9
205.06775	1.0
205.08580	3.2
206.07268	1.3
209.02747	1.2
209.08058	2.1
211.04234	1.0
217.08623	2.9
219.07990	1.8
221.09656	2.1
221.57635	0.7
223.09669	1.7
231.05052	1.5
231.08073	1.6
233.06004	1.1
233.09592	1.7
234.06793	2.0
235.07523	1.8
247.07620	1.2
248.08221	2.0
249.09187	5.1
251.07065	1.1
261.09094	3.2
263.07120	0.9
265.08755	1.0
266.09296	1.1
277.08609	3.1
281.11728	6.8
283.09521	0.8
289.08609	1.9
293.11560	1.6
294.08939	1.4
309.11209	6.3
310.11990	0.8
311.09048	0.9
315.13132	1.4
316.13644	1.4
321.11407	3.8
326.11618	2.3
339.12119	1.4
341.13855	39.1
342.14114	1.3
345.11151	0.8
351.12372	1.1
353.13858	14.6
359.14923	6.3
365.13788	1.5
371.15045	7.3
385.11020	6.3
388.21442	1.2
431.14520	0.9
464.76102	0.9
474.15875	2.9
492.16995	1.1
510.39648	0.9
654.27313	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38713	0.5
53.03114	0.4
53.03928	1.5
55.01867	1.4
55.05482	0.4
57.03437	0.9
61.02919	0.9
65.03952	0.6
67.05495	1.1
68.99789	1.1
69.03430	5.7
70.06588	1.9
71.04987	0.7
72.08144	1.3
73.02899	1.0
74.41986	0.4
78.04703	1.5
79.05499	3.3
81.03427	5.4
81.07063	1.5
82.80721	0.5
83.04967	0.7
84.08147	0.6
85.02904	13.2
87.00829	4.5
87.04463	1.3
88.03992	0.5
88.53680	0.5
89.06030	3.6
90.06350	0.7
91.03989	0.7
91.05491	5.0
92.82333	0.4
93.07033	1.2
95.04967	1.9
95.08578	0.8
97.02905	6.9
97.06554	0.5
99.04459	2.0
103.05453	1.8
105.01866	3.6
105.07044	5.5
106.04182	1.2
107.04962	7.7
107.08614	0.9
108.04477	1.3
109.02878	6.1
110.06010	0.7
111.04443	0.6
115.03887	0.7
115.05444	1.3
116.06284	0.5
117.01807	0.6
117.07003	1.0
118.04169	0.8
119.04937	2.0
119.08576	1.9
120.08092	0.5
121.06522	1.2
123.04427	6.3
123.08057	0.5
124.05206	1.7
125.06014	0.9
126.05505	0.9
127.03922	7.7
128.06207	1.6
128.07045	0.6
129.01810	0.6
129.07018	6.0
130.04161	0.4
131.04929	2.7
131.08572	0.8
132.05748	1.4
133.06494	3.5
133.08607	2.4
133.10161	0.6
134.03654	0.7
135.04489	0.7
135.08078	0.5
136.07549	0.7
137.05981	2.2
141.07039	0.9
144.05614	0.7
145.02899	1.4
145.04958	2.6
145.06458	1.6
147.04395	2.7
147.08072	2.7
148.05104	0.6
149.05960	0.7
151.03883	1.5
151.07552	2.3
152.04669	1.9
153.05443	3.0
155.04900	1.3
157.06523	0.6
159.02910	1.8
159.08049	4.0
160.05194	1.5
161.05992	8.5
161.09662	0.8
162.06636	0.5
163.03841	1.3
163.07552	1.1
164.07126	0.6
167.07048	100.0
168.07332	1.2
171.08046	1.1
172.05255	1.2
173.05928	0.6
174.06776	1.0
174.47668	0.5
175.07550	20.9
176.04651	0.6
177.05441	3.9
177.09053	0.7
177.11186	0.6
178.06197	0.7
178.07695	0.6
179.07027	6.7
181.04987	0.6
181.08681	0.5
184.05237	0.6
185.02715	3.8
185.05992	0.9
187.07544	16.2
189.07085	0.7
189.09113	3.6
191.07036	8.5
191.08588	0.4
193.08600	3.5
193.10141	0.7
195.08080	0.6
197.02756	0.8
199.07558	5.7
201.09116	1.1
202.07719	0.7
203.08577	1.4
205.06787	0.7
205.08479	2.2
206.07297	1.9
209.02742	0.7
209.08087	2.4
213.09187	0.6
215.08748	0.8
217.08653	2.0
218.07318	1.5
219.08072	1.0
221.09705	3.6
223.07564	0.7
223.09644	0.9
229.08606	0.7
231.05013	1.9
231.08084	1.6
233.09639	1.4
234.06789	2.1
235.07530	1.1
245.06134	0.9
246.06721	0.7
247.07568	0.8
248.08017	1.7
249.09111	5.2
250.09883	1.3
251.07071	1.6
260.08237	0.7
261.09039	2.8
262.09729	0.5
263.06973	1.0
265.08725	1.2
266.09232	1.2
267.10022	0.5
277.08603	2.6
278.09305	1.1
281.11731	8.0
289.08603	2.3
290.09412	1.1
291.06631	0.8
291.10172	1.2
293.08380	0.6
293.11899	1.3
294.08960	1.5
295.09714	1.2
305.08176	0.5
306.09039	0.9
307.09622	1.2
309.11191	8.4
310.11862	0.8
311.09189	0.9
316.13605	0.8
321.11249	5.4
322.11914	1.0
326.11417	2.4
339.12134	0.8
341.13840	42.4
342.14328	0.8
351.12137	1.2
353.13828	18.4
355.15143	0.7
357.21924	0.6
359.14890	4.6
363.12222	0.6
365.13928	1.6
370.20529	0.8
371.14862	7.4
371.19177	0.4
383.14957	0.8
385.11099	4.9
385.15643	0.7
403.51233	0.5
431.14905	1.0
474.15771	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
53.64284	1.7
55.05521	12.4
55.73627	1.6
57.03431	2.0
57.07070	4.7
67.05511	26.2
69.03422	7.2
69.07079	12.0
70.72890	5.5
71.04998	2.0
71.26553	1.7
79.05500	22.3
81.03430	8.7
81.07063	39.9
83.05029	4.1
83.08622	14.3
85.02886	4.5
85.06539	7.6
91.05496	13.4
93.07056	31.9
94.94773	1.9
95.04971	3.9
95.08620	50.1
97.02899	2.6
97.06515	2.3
97.10197	9.6
99.08091	5.1
105.07030	14.0
107.08612	33.0
109.06500	2.0
109.10168	17.6
111.04440	2.1
111.08110	2.1
111.11691	2.0
115.49709	2.0
117.06986	3.8
119.08639	8.8
121.10154	39.3
123.08035	2.9
123.11715	5.5
125.09606	2.8
129.07045	3.5
131.08546	6.8
133.10130	7.5
135.11710	13.8
137.13266	7.1
139.11143	4.0
143.08539	4.3
145.10127	6.4
147.11629	3.8
149.13297	5.5
157.10051	2.6
159.11713	4.1
165.16377	3.1
171.11688	2.0
172.64722	1.9
173.13254	3.4
177.16408	100.0
178.16742	2.7
183.11665	2.2
183.17485	5.9
185.13290	3.6
195.17470	44.7
213.18520	12.7
229.14418	2.6
231.19548	23.0
283.37643	1.8
303.23303	2.2
351.22940	4.3
355.11191	2.0
369.24228	3.8
387.25397	4.5
396.10983	2.2
405.26434	3.8
564.35846	2.0
670.09387	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	653.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01870	0.8
55.05511	6.8
57.03427	1.1
57.07067	2.2
61.02912	0.8
63.02377	0.9
65.03936	0.5
67.05173	0.9
67.05511	12.5
69.03423	1.8
69.06719	0.9
69.07072	11.5
70.06581	1.4
71.04982	1.5
71.08645	0.7
71.36220	0.7
72.08144	0.8
79.05070	0.6
79.05497	7.9
80.34423	0.5
81.03420	3.4
81.07063	28.6
83.04962	1.6
83.08627	3.0
85.02895	2.0
85.06533	2.9
89.03915	9.1
91.05479	5.3
93.07050	15.8
95.04949	2.3
95.08612	26.9
97.02888	2.0
97.06517	3.3
97.10175	6.1
99.08071	1.3
105.07029	7.3
107.04960	4.1
107.08598	16.3
109.02870	1.4
109.06515	2.0
109.10165	10.9
111.08102	2.8
111.11713	1.7
117.02619	0.7
117.03401	8.7
117.07046	0.6
118.04182	1.2
119.04964	0.6
119.08582	6.3
121.06501	1.3
121.10149	8.7
121.10934	0.9
123.04413	0.6
123.08086	1.6
123.11714	17.5
125.06024	0.6
125.09633	1.3
127.03924	1.2
131.08580	1.4
133.10144	3.5
135.04428	23.1
135.11699	5.9
137.02364	1.0
137.06021	0.8
137.09584	1.5
137.13261	4.5
139.11198	3.4
141.12724	1.0
143.08604	0.8
145.01743	1.1
145.02856	15.7
145.10135	1.8
146.94527	0.5
147.04401	2.3
147.11691	4.7
149.05966	0.8
149.13271	19.6
151.11203	1.2
151.14810	0.6
153.05515	0.6
153.12744	3.4
154.02609	0.6
155.14346	0.6
155.29037	0.6
157.10196	0.7
157.12222	2.3
159.11708	1.9
161.06000	0.7
161.13290	3.0
163.03917	100.0
163.11195	1.3
163.14801	2.9
164.04253	1.7
165.09074	1.0
165.12766	1.0
166.53535	0.5
167.07065	1.1
171.11731	0.8
171.13753	0.7
171.78389	0.5
173.13289	1.3
175.11237	0.8
175.14818	1.1
177.05513	1.1
177.12752	0.5
177.16428	1.0
179.14182	0.5
181.04959	1.2
181.12126	0.5
186.05481	0.6
187.13313	3.2
187.14861	0.9
189.05431	0.6
189.16411	0.8
193.15910	0.5
195.06534	1.1
197.06020	0.8
199.14832	0.6
203.12793	1.4
203.17943	1.1
207.17499	0.6
209.15396	0.5
213.09091	1.7
213.16458	0.7
217.14404	0.5
217.19626	0.7
221.19037	0.6
223.17027	0.6
226.06172	1.1
229.14369	1.7
231.17496	0.7
235.16988	0.7
235.20563	0.9
237.05496	1.8
249.18346	0.6
253.05023	1.9
254.05737	2.3
267.15894	0.6
269.08105	39.3
269.22699	1.8
270.08508	1.3
271.11749	1.0
275.23730	0.5
277.25244	1.9
285.13425	0.5
287.23654	3.3
293.24817	0.9
295.04498	0.9
301.12863	0.6
305.24774	12.9
319.13666	0.6
323.25867	1.3
421.25772	0.9
437.25470	3.4
455.26337	1.7
460.57382	0.6
491.30038	0.6
614.20538	0.6
635.30603	0.9
653.32227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.297
Annotation	Haplophytine
Peak:m/z	Relative Intensity
55.42239	0.9
63.41136	0.8
63.91908	0.9
67.05503	2.2
69.07051	0.8
69.93359	1.0
71.17472	2.1
79.05499	1.6
80.59419	0.9
81.07059	2.5
82.43251	0.8
87.69896	0.9
93.07064	1.2
95.08637	2.7
105.07040	1.1
107.08599	2.1
109.10190	1.5
116.22202	0.9
121.10152	1.3
133.10118	1.1
175.11232	0.9
180.29210	0.9
209.10712	1.6
211.12157	0.8
223.12248	1.4
224.12944	1.0
275.00967	0.9
311.14334	0.9
326.16843	1.2
340.17917	1.0
389.17789	2.6
390.18567	1.6
391.19305	2.6
403.19452	3.4
404.19864	5.0
405.20770	14.3
406.21823	1.4
414.22104	1.1
417.20901	2.7
418.21390	3.0
419.22263	11.2
420.23166	2.9
421.24377	1.7
431.22336	3.0
432.23282	1.1
433.23907	8.8
434.24548	4.0
435.18121	1.3
444.19226	1.7
447.21143	5.6
448.26337	1.7
449.19577	5.6
450.20724	3.3
452.20572	1.0
459.22101	2.0
462.21027	1.4
463.21274	6.9
464.22064	4.0
465.22833	2.3
473.24265	1.6
475.20969	5.9
476.22049	1.2
477.23145	5.1
478.23798	5.4
479.24487	35.5
480.25208	1.2
487.21301	5.7
488.21951	1.8
489.23508	1.4
491.19504	1.3
491.24582	3.1
492.25214	2.5
493.26334	2.6
501.22971	6.3
502.23633	2.9
505.26303	1.6
506.26889	1.1
507.27554	21.7
508.28366	1.0
519.23962	4.1
533.25446	6.3
534.26080	2.6
537.25043	10.6
539.26538	1.1
541.39050	1.6
551.26587	35.8
552.27051	1.3
560.24445	1.8
561.24933	6.5
562.25769	1.3
563.23291	1.4
565.28131	20.6
566.28888	91.3
567.29407	3.9
575.26343	6.5
593.27686	14.1
603.25635	2.2
621.27112	15.2
635.28552	10.8
653.29736	100.0
654.29913	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	653.297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79733	0.5
61.64720	0.5
69.54855	3.2
71.54939	0.6
80.98003	0.6
132.83954	0.6
181.57039	0.5
375.16998	0.5
377.17734	2.1
389.17953	1.3
390.18503	0.8
391.19199	7.5
392.20093	2.1
393.21649	1.0
404.20410	0.8
405.20798	10.3
406.21521	8.1
407.22525	0.8
419.22513	3.8
420.23172	6.1
421.16086	0.6
421.18170	0.9
421.23889	11.0
432.23428	0.8
433.20331	4.2
433.24841	1.9
434.25000	1.2
435.18240	1.7
436.18994	2.2
445.20096	1.6
447.21515	1.7
448.22491	1.0
449.19708	1.5
449.27383	0.9
450.20563	2.5
451.21402	1.3
452.22113	2.3
458.17218	0.8
460.22665	1.8
461.23917	0.7
463.21512	1.2
464.22253	0.8
465.22885	43.1
466.22998	1.2
472.19128	0.7
473.19934	2.4
475.25626	1.1
477.26627	1.0
478.23849	1.4
479.24524	8.6
480.25052	4.1
487.21515	2.2
488.22040	5.9
491.21011	2.2
492.20917	3.0
501.23117	1.4
502.23630	0.8
503.24429	54.0
504.25278	2.7
505.22342	1.5
507.27844	3.9
533.25354	1.3
535.27057	42.1
536.27307	1.4
551.26660	6.3
561.26025	3.2
566.28497	0.7
579.25989	39.0
580.26385	2.2
593.27722	2.5
594.28320	21.3
595.29144	0.8
621.27075	21.5
622.27313	1.1
653.29712	100.0
654.29938	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	652.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05513	1.3
57.03439	1.0
59.04994	0.7
62.59676	0.7
63.46492	0.6
67.05502	1.5
68.05021	1.0
69.03436	2.9
69.05805	1.0
69.07071	1.2
70.06599	10.3
71.04986	1.4
71.55708	1.1
72.08151	1.9
73.02912	1.1
73.06557	3.6
79.05492	1.1
81.03419	2.8
81.07057	1.9
84.04464	0.6
84.08138	2.2
85.02902	5.6
86.09712	4.7
87.00815	0.7
87.04477	15.8
89.06034	100.0
91.05502	3.1
91.07596	0.7
93.07057	1.5
95.04999	1.7
95.08621	1.1
97.02901	4.6
97.06560	1.3
98.02383	0.9
99.04468	1.9
103.03940	3.5
103.05455	0.7
105.07039	1.8
107.07069	2.8
109.02889	3.0
109.10148	1.1
111.04479	0.7
113.06062	0.7
116.07091	5.5
117.03393	0.9
117.06969	1.0
117.09145	1.5
119.04971	2.0
120.08110	4.7
121.06579	0.7
121.08436	1.1
121.10159	0.9
123.04442	0.7
124.07616	0.7
127.03925	6.5
128.04285	1.2
130.06546	1.5
130.08664	1.1
131.04955	1.0
131.07042	5.1
131.08536	0.8
133.06497	1.9
133.08607	67.3
135.45403	0.6
136.07629	1.8
137.05972	5.2
138.06345	1.7
140.06976	0.7
145.02826	1.5
145.04932	1.2
145.10197	1.1
147.04378	4.9
147.11649	0.7
149.02365	3.3
151.07581	0.9
161.05960	1.0
161.11728	0.6
163.07602	0.9
172.07594	0.7
174.09166	0.7
175.07526	1.5
175.09821	3.1
177.05449	4.0
177.11230	21.8
187.07539	0.8
203.07112	1.5
219.12315	0.9
220.09738	1.8
221.08070	0.7
221.10133	1.2
221.13835	4.3
234.12366	1.2
249.12431	2.1
265.16489	0.9
271.05981	1.5
283.17480	1.1
293.13861	1.2
309.19296	1.1
315.13278	1.3
316.13629	0.7
327.20358	0.8
362.20804	1.0
363.21161	0.9
390.20340	5.3
391.20612	8.0
401.10587	0.7
635.38446	2.4
652.27081	1.2
652.39954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03946	2.1
55.01883	1.0
55.05493	0.5
57.03437	0.9
61.02924	0.7
65.03946	0.5
67.05499	1.4
68.99788	1.0
69.03439	4.6
69.07085	2.9
70.06602	1.2
70.15578	1.5
71.05001	1.3
72.08158	2.2
73.02915	0.9
79.05492	1.8
81.03425	6.2
81.07059	1.3
85.02917	8.2
86.09698	0.6
87.00842	3.5
91.03983	0.7
91.05486	1.8
93.07062	1.0
95.04951	0.8
95.08630	0.8
97.02895	4.5
98.09684	0.9
99.04449	1.5
103.05482	1.5
105.01855	2.5
105.07030	1.0
107.04942	0.7
107.08596	0.5
109.02898	5.2
109.06510	0.7
109.10187	1.0
110.03703	0.5
117.01843	0.9
117.07022	0.9
119.04955	1.2
121.06535	0.7
125.06010	1.2
127.03933	6.8
131.04926	0.6
131.08559	0.5
135.04358	0.6
137.06024	0.4
138.03139	5.9
139.07544	0.6
145.04964	1.2
145.06483	0.7
147.04366	2.4
149.05937	0.4
152.04738	0.4
153.05479	100.0
154.05846	0.9
159.02850	1.3
159.04332	0.5
161.06036	0.5
163.07518	1.1
165.05493	1.5
167.07048	3.6
173.05920	0.8
176.04678	3.9
177.05466	5.1
179.07048	8.7
190.06282	0.6
191.07034	7.8
193.08673	0.5
195.06540	1.8
204.07729	0.6
219.06531	2.3
219.10074	0.8
221.08211	0.6
221.11723	7.8
231.05070	0.8
245.07858	0.6
261.07492	1.1
267.06628	0.6
271.09665	0.5
281.08258	0.5
299.09204	0.7
313.10696	0.7
319.11856	1.3
331.11777	67.1
331.48392	0.5
332.12222	1.4
343.11740	1.5
365.08966	1.1
373.12787	0.8
379.03314	0.5
385.12277	0.8
385.16907	0.9
387.17947	2.1
397.25665	0.5
427.13931	1.0
546.49902	0.4
579.17072	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	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
55.01861	5.1
55.05263	2.4
55.05515	33.8
57.03442	10.7
57.07075	3.0
59.04993	3.1
61.02942	1.9
65.03939	4.0
67.05510	100.0
69.03085	1.6
69.03435	24.1
69.07074	17.0
69.30025	10.6
69.30437	2.9
71.05016	9.0
73.02943	1.7
79.05500	36.5
81.03425	60.6
81.07067	63.3
83.04992	32.6
83.08631	15.1
85.02908	5.6
85.06559	4.5
87.04453	1.7
91.05479	29.6
93.06470	2.2
93.07049	36.7
95.04984	8.1
95.08614	41.3
95.22899	1.4
97.02899	20.9
97.06519	3.9
97.10177	16.2
99.04450	4.9
99.19286	1.4
104.47386	1.4
105.07044	23.9
107.04978	2.4
107.08602	28.2
109.02894	9.6
109.06538	3.4
109.10168	56.9
111.04469	11.4
111.08102	4.6
113.06037	1.6
115.05442	2.4
117.07034	12.0
119.08601	18.5
121.06509	3.2
121.10152	16.1
123.08092	3.4
123.11697	6.1
125.09629	13.7
127.03948	9.0
128.06218	1.7
129.05507	13.0
129.07001	7.9
131.08591	17.2
133.06509	1.6
133.10146	14.3
135.08054	4.1
135.11700	11.9
137.09598	2.4
139.11188	1.7
141.06946	2.3
142.07761	1.5
143.08606	8.4
145.06464	2.1
145.10139	12.9
147.08032	2.5
147.11687	9.7
149.09572	3.7
149.13277	5.6
151.11215	2.0
153.09189	1.7
155.08549	3.4
155.10611	2.7
157.10114	6.4
159.08093	4.3
159.11713	8.2
161.09637	2.3
161.13263	6.6
163.14845	1.9
165.12737	2.4
169.10182	4.2
171.08057	1.7
171.10202	2.0
171.11684	4.9
173.04535	1.6
173.11734	17.7
173.13292	6.9
175.11195	2.8
175.14758	2.6
177.12703	1.8
181.10054	1.5
183.11688	5.0
185.09567	2.0
185.13171	4.1
187.11163	1.6
187.14819	3.5
189.11214	16.5
189.12743	3.1
197.13245	3.5
199.14807	2.9
209.13307	1.9
227.12761	18.0
229.14380	25.2
241.19371	1.6
243.21231	3.1
245.13817	6.3
259.20761	2.3
261.22220	9.6
263.23773	4.3
277.21683	3.5
279.23267	2.1
289.21442	1.5
299.14890	3.7
301.21680	3.8
303.23279	2.5
319.22720	1.8
335.25873	14.9
337.27432	12.0
341.24789	2.1
345.24026	3.6
351.23203	4.8
353.24734	1.6
369.24579	8.3
371.16876	7.4
373.18564	6.8
375.25259	1.8
387.25229	5.9
405.26422	3.8
416.17096	1.6
461.28775	5.4
479.29895	3.1
487.33102	1.5
489.35938	7.6
507.36774	5.1
597.37268	4.7
615.38940	4.6
619.25037	1.8
633.40057	17.1
651.40643	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
55.01876	4.9
55.05518	27.9
57.03443	11.4
57.07077	4.7
59.05003	2.7
65.03944	2.2
67.05511	100.0
69.03432	25.3
69.07076	16.1
70.09723	3.6
70.10125	6.1
71.04994	11.0
71.08617	3.0
79.05498	36.1
81.02982	3.2
81.03429	38.4
81.07063	66.7
83.04984	17.9
83.08626	15.8
85.02895	6.6
85.06541	5.2
91.05484	33.5
93.07048	34.7
95.04984	11.2
95.08615	39.3
97.02898	13.7
97.06525	5.3
97.10174	9.8
99.04455	4.3
99.37326	2.5
102.93066	2.3
105.07047	26.3
107.04980	2.9
107.08601	20.9
109.02882	4.8
109.06534	6.5
109.09467	4.1
109.10168	66.6
111.04477	6.8
111.08067	5.6
115.05466	3.4
117.07021	14.8
119.08585	27.7
121.06529	2.7
121.10152	12.2
123.08041	6.0
123.11772	6.1
125.09663	8.7
127.03919	8.3
129.05484	7.6
129.07004	6.8
131.08566	17.7
133.06508	3.0
133.10159	17.1
135.08025	4.4
135.11722	8.6
137.09639	5.5
137.13286	3.2
141.06993	3.3
143.08459	5.3
145.10143	13.6
147.08038	2.9
147.11662	11.1
149.09615	5.6
149.13293	5.9
155.08569	5.2
155.10696	2.3
157.10124	6.5
159.11687	9.0
161.13307	3.9
163.11139	4.5
163.14824	2.7
165.12833	2.9
167.08640	2.7
169.10085	3.1
171.11682	4.8
173.09846	2.9
173.11754	20.8
173.13275	9.3
175.11157	3.4
175.14873	7.1
177.12689	2.2
181.10065	2.0
183.11696	4.5
187.11130	2.7
187.14923	2.7
189.11249	6.6
189.12820	3.1
195.11760	3.9
196.67348	2.8
199.14870	4.4
213.12859	2.7
215.14464	2.4
227.12799	8.9
229.14374	45.9
237.08781	2.3
256.24991	2.3
257.15393	2.7
259.20523	3.6
261.22287	3.3
273.22296	2.9
277.21637	3.2
285.22037	2.5
289.21637	3.2
299.14914	3.6
301.21677	5.0
303.23425	2.2
319.22632	3.5
327.23480	3.0
335.03348	2.3
335.25809	8.2
337.27435	6.7
345.24109	3.0
351.23129	4.2
369.24261	13.0
371.16980	2.6
373.18573	4.4
387.25107	9.8
405.26376	5.3
443.27789	2.4
461.28778	5.3
479.29794	4.6
487.33810	3.3
489.35516	7.6
573.37915	2.9
597.37518	3.8
615.38794	7.7
633.39850	18.9
651.40869	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	651.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87374	1.7
53.03952	10.5
55.01869	4.3
55.05260	2.6
55.05512	32.7
57.03442	10.8
57.07062	2.9
59.04993	3.4
65.03938	4.3
67.05505	100.0
69.03074	2.4
69.03432	30.6
69.07069	16.3
69.53208	11.5
71.01352	1.7
71.04990	10.0
72.31879	1.6
78.34557	1.8
79.05495	39.8
81.03419	48.4
81.07056	66.6
83.04986	23.1
83.08615	15.4
85.02900	3.7
85.06552	3.5
91.04964	3.0
91.05487	33.6
93.07047	45.3
95.04961	12.1
95.08608	43.0
97.02902	15.5
97.06513	4.9
97.10176	15.2
97.48629	1.8
98.20779	3.6
99.04450	7.3
99.08121	2.0
103.05465	2.0
105.07028	24.3
107.04960	4.4
107.08599	29.2
109.02867	7.0
109.06524	6.0
109.10159	62.3
111.04433	10.2
111.08067	3.8
111.11708	2.0
115.05498	2.4
117.06997	11.1
119.04916	2.3
119.08590	24.2
121.06504	4.0
121.10127	15.2
123.04414	1.9
123.08047	2.3
123.11710	6.6
125.09596	12.5
127.03916	7.9
128.06210	2.6
129.05490	9.2
129.07002	8.1
131.08569	16.6
133.10121	15.9
135.08110	4.1
135.11693	11.2
137.09596	4.7
139.11189	3.3
141.06973	3.3
142.07794	3.5
143.08554	8.0
145.06465	2.1
145.10130	11.7
147.08011	3.7
147.11685	10.6
149.09659	3.4
149.13234	7.0
153.09079	2.3
155.08553	2.8
155.10672	3.2
157.06546	2.2
157.10117	6.6
159.08083	2.7
159.11713	9.7
161.09633	1.8
161.13235	5.7
163.11140	3.0
163.14790	3.0
165.12718	1.8
169.10109	4.4
169.80574	1.8
171.11685	3.9
173.09579	2.8
173.11729	15.9
173.13268	9.8
175.14815	2.3
177.12753	2.1
181.10114	3.5
183.11668	3.0
185.09605	2.1
185.13211	3.3
189.11226	11.6
195.11418	2.2
197.09496	2.1
197.13190	2.6
199.14807	5.2
201.12764	2.6
203.10683	1.7
209.13359	2.2
213.16385	2.3
223.14833	1.8
225.12521	2.0
227.12755	10.6
229.14348	22.0
245.13809	2.8
247.16888	1.9
259.20636	2.8
261.22290	4.2
263.23709	2.1
289.21747	2.5
299.14954	3.3
301.21545	4.1
317.25244	1.8
327.23029	2.3
335.25726	8.9
337.27579	9.3
341.24905	3.7
351.23120	3.5
369.24326	10.2
371.17087	3.6
373.18677	3.6
387.25229	6.3
405.26303	2.9
461.28851	4.5
479.29913	5.0
487.72995	2.1
489.35608	5.9
507.36984	4.6
597.37799	5.0
615.38562	4.8
617.85876	2.4
633.39807	18.7
651.40387	10.5
671.14301	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	651.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85089	1.4
71.16914	3.1
79.05508	1.9
88.02219	1.4
91.25425	1.3
93.22502	1.4
97.18774	1.3
98.26435	1.2
115.50103	1.3
146.88318	1.4
246.91646	1.3
313.07086	1.3
401.18073	1.9
416.20340	1.5
417.20932	5.1
429.16589	2.7
430.17883	4.2
431.18011	2.5
431.23038	3.1
432.23145	2.6
435.32394	1.5
442.17819	1.8
443.18524	3.2
444.19260	6.4
445.19528	9.2
457.20285	5.4
458.21353	4.8
459.21725	15.0
460.22647	7.4
472.22720	2.6
473.23453	5.6
474.24002	2.0
517.22552	2.9
519.24103	2.0
531.23706	7.8
545.25262	1.7
546.26678	5.6
547.27228	5.5
559.27191	3.5
577.24799	3.5
591.26263	5.5
606.28406	29.6
607.29425	2.1
619.29211	12.0
651.31799	100.0
652.31946	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
55.01867	4.8
55.05270	1.5
55.05516	29.3
57.03439	12.0
57.07076	3.4
59.05008	2.6
65.03942	4.7
67.05510	100.0
68.47860	1.3
69.03434	27.0
69.06728	1.4
69.07075	17.4
71.01351	1.9
71.04985	7.7
71.52740	1.5
71.55948	1.6
73.06583	1.3
79.05059	2.5
79.05495	32.7
81.03424	48.7
81.07059	62.6
81.31258	1.3
83.04990	21.6
83.08636	15.8
85.02911	5.8
85.06567	2.3
91.05483	28.9
93.07051	34.4
95.04990	7.1
95.08612	40.9
97.02901	19.1
97.06532	4.0
97.10165	16.7
99.04458	5.2
99.08047	2.2
101.05973	1.6
105.07036	20.6
107.04968	3.7
107.08604	25.2
109.02853	9.5
109.06513	5.5
109.10166	57.3
111.04465	7.6
111.08089	5.4
111.11815	1.7
117.07024	12.5
119.08578	19.2
121.06519	4.6
121.10146	13.2
123.08061	4.2
123.11721	7.7
125.09644	12.2
127.03916	8.5
128.06181	1.5
129.05493	9.0
129.06979	9.0
131.08578	18.4
133.06494	2.2
133.10141	15.9
135.08052	5.8
135.11685	8.7
137.09586	4.0
137.13306	2.2
139.11168	2.6
141.06992	2.2
143.08612	7.0
145.06476	3.3
145.10153	13.4
147.08046	4.0
147.11691	8.4
149.09633	4.2
149.13268	4.6
151.11208	1.7
155.08589	2.9
155.10696	3.1
157.10150	6.2
159.08029	2.4
159.11746	9.2
161.09627	3.1
161.13205	4.4
163.07573	1.5
163.11137	2.0
163.14833	2.6
167.08589	1.8
169.10179	4.1
171.08144	2.7
171.11705	6.0
173.09572	2.3
173.11740	13.4
173.13271	5.9
175.11243	1.9
175.14928	3.6
177.12796	1.5
183.08115	1.5
183.11646	3.3
185.09760	2.0
185.13264	4.7
187.11250	2.6
187.14891	3.3
189.11250	13.7
189.12784	2.4
195.11670	2.0
197.13232	1.9
199.14839	3.0
211.15089	1.6
217.15854	1.3
227.12752	16.5
229.14365	31.4
235.16718	1.4
245.13895	3.1
257.13809	2.1
259.20581	2.0
261.22168	4.5
263.23715	2.8
271.20679	1.8
277.21497	2.8
279.23083	2.1
291.23318	1.6
297.22183	1.6
301.21667	3.9
303.23120	3.7
313.21478	2.3
319.22809	1.9
327.23151	4.8
333.24200	2.0
335.25961	6.8
337.27353	11.8
341.24719	2.3
345.24243	3.8
351.23242	4.3
353.24658	1.8
355.17636	1.6
369.24359	10.6
370.47971	1.4
371.16879	6.3
371.25812	1.7
373.18576	6.5
387.25317	6.3
405.26529	3.9
439.38913	1.6
443.27985	4.1
461.28827	2.7
479.30011	2.1
489.35620	5.3
507.36710	3.2
547.35669	1.8
585.38068	1.5
597.37671	3.3
615.38794	7.0
633.39716	18.5
651.40796	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	651.2812
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
52.46943	0.7
57.07028	0.6
67.05439	1.2
69.50999	4.5
79.05431	1.3
81.03378	0.8
81.06987	1.3
83.69859	0.6
91.05437	0.6
93.07016	1.2
95.08570	1.6
105.06948	1.1
105.95266	0.5
121.10054	0.9
131.08559	0.6
133.10023	0.8
135.78101	0.6
223.12364	0.6
385.14740	0.9
386.15347	1.7
389.18109	1.0
390.18958	0.9
391.19116	2.1
392.20163	1.1
398.15967	0.8
399.16071	2.9
400.17047	4.0
401.17798	3.9
402.19086	0.7
405.20969	1.2
406.21506	0.8
407.22073	3.2
412.17111	0.8
413.17978	3.3
414.18701	3.9
415.19330	9.3
416.20419	1.6
417.21176	1.4
419.18362	1.2
420.19266	0.8
425.17807	1.5
427.19156	2.6
428.20663	3.7
429.21252	9.6
430.21298	2.2
431.18481	1.4
433.20523	1.3
434.20844	0.9
435.21832	1.7
439.19189	1.4
441.16681	1.4
442.17288	1.5
443.18118	3.4
443.22488	5.1
444.18546	5.1
445.20532	3.6
445.53641	0.7
447.18256	2.0
455.18286	1.1
456.19443	2.3
457.20670	6.7
458.21445	4.4
459.17972	1.7
471.22516	6.5
472.23444	5.1
473.19556	6.1
474.20560	3.5
475.17502	1.2
484.18854	0.9
485.19623	4.7
486.20398	6.3
487.21368	3.1
488.22015	1.3
489.18729	0.8
489.22818	1.9
490.20016	4.0
499.21313	10.6
500.22690	3.7
502.19983	1.5
503.24701	5.4
514.20160	0.8
516.21399	2.3
517.22455	8.6
521.25226	1.4
527.21045	2.9
531.23932	16.2
541.21783	0.9
543.23547	1.4
549.24939	6.2
559.23431	98.3
559.91437	0.8
560.23651	4.1
587.22943	18.1
591.26123	3.0
592.26221	1.3
619.25531	100.0
620.25958	3.9
651.28174	25.1
651.39233	1.3
652.28503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.9
55.01874	5.0
55.05511	3.8
57.03420	1.7
57.07060	1.0
59.93535	0.6
61.02915	2.2
65.03938	1.1
67.05508	9.5
67.77483	0.6
68.99785	0.8
69.03087	0.9
69.03435	13.2
69.07069	8.2
70.06589	4.2
70.22908	1.7
71.04985	1.9
73.02908	3.6
79.05492	6.9
81.02984	1.2
81.03427	15.8
81.07060	17.0
83.08624	1.8
84.08163	0.8
85.02910	39.6
87.00832	11.2
91.03921	1.0
91.05489	22.4
93.07051	12.1
95.04978	5.8
95.08611	20.0
95.09141	0.5
97.02897	15.7
97.06516	0.9
97.10160	2.1
99.04449	7.3
103.05482	1.0
105.01875	13.5
105.07036	30.5
107.04921	0.6
107.08602	12.8
109.02884	17.4
109.06536	1.1
109.09457	1.0
109.10168	15.7
109.10851	0.5
111.11729	0.8
117.01854	1.9
117.07043	0.8
119.04963	13.4
119.08587	25.9
121.06499	0.9
121.10146	9.4
123.04439	19.0
123.11725	8.3
127.03925	30.7
128.07086	0.9
129.01826	2.3
131.08585	1.2
133.10141	18.4
135.04405	1.1
135.11716	4.7
136.07585	38.1
137.09573	0.8
137.13254	1.5
145.02802	1.0
145.04961	16.2
145.08823	0.6
145.10129	2.4
147.03064	1.3
147.04405	8.5
147.11696	57.4
149.02354	1.0
149.13310	1.6
159.02904	11.2
159.11646	1.0
161.13268	8.7
163.03928	2.7
163.14809	0.9
165.05489	31.7
165.12752	1.8
173.13181	0.6
175.07550	2.1
175.14838	3.4
177.03995	0.9
177.05428	0.8
177.09065	0.7
182.08136	55.5
183.02940	0.6
183.08415	0.7
188.10727	0.8
203.17969	100.0
204.18317	1.8
213.03928	2.2
217.42050	0.6
221.19034	14.8
224.09097	0.6
231.05005	9.8
249.06027	1.2
299.05478	2.8
300.05835	2.6
320.24115	0.7
332.27417	0.7
367.22589	4.5
384.25323	1.7
451.23322	0.8
579.70691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.05514	14.0
57.03435	6.9
57.07069	4.5
59.05010	2.9
60.21577	1.8
67.05511	34.3
69.03446	9.9
69.07069	17.8
70.59711	1.9
71.04996	9.9
71.56506	2.8
79.05495	22.6
81.03421	13.1
81.07060	36.8
83.04979	7.1
83.08613	9.7
85.02907	8.3
85.06552	5.9
91.05496	19.0
93.07046	30.0
93.43155	2.1
95.04973	70.2
95.08607	28.0
97.02898	5.0
97.06523	29.8
97.10181	5.8
98.10536	2.0
99.04463	16.8
99.08093	4.5
103.03978	2.2
105.07034	33.0
107.04947	3.3
107.08595	23.7
109.02872	3.6
109.06522	41.2
109.10165	18.6
110.59479	2.4
111.04414	2.6
111.08083	9.4
115.07571	2.1
117.07001	6.8
119.08591	25.5
121.06555	3.9
121.10147	29.7
123.08062	21.0
123.11713	6.7
125.05952	2.7
125.09665	3.6
127.03970	4.7
127.07558	2.4
129.07013	4.4
131.08572	24.1
133.06522	2.5
133.10135	61.9
135.08046	12.6
135.11711	8.9
136.42955	2.1
139.11189	3.4
143.08565	7.3
145.10114	13.1
147.08026	3.3
147.11693	30.8
149.09625	4.8
149.13287	7.6
151.07520	7.3
151.11163	5.5
153.09111	44.0
157.10150	5.8
158.10921	3.4
159.11703	9.8
161.13336	4.0
163.11185	8.0
163.14796	3.6
165.09198	2.5
165.12781	13.2
169.10104	2.8
171.11696	4.4
173.09775	2.1
173.13275	25.5
177.12679	2.7
183.11707	3.0
183.71413	2.1
185.13354	2.7
187.11200	2.3
189.12773	4.9
191.14316	58.9
195.55916	2.3
199.11044	2.5
199.14821	2.4
207.13800	10.5
209.15372	100.0
221.15329	5.1
227.14171	2.4
227.16417	45.4
227.18497	3.9
232.52180	2.1
261.22269	4.9
263.23776	3.6
315.23529	2.4
369.24252	4.5
387.25311	4.2
405.26236	4.0
649.43762	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	649.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71857	2.4
53.03943	2.7
55.05511	9.1
57.03423	6.4
57.07072	4.5
59.04988	3.4
65.03955	2.2
65.66419	2.1
67.05508	25.3
69.03440	14.6
69.07068	12.7
69.32104	13.8
69.32513	6.0
71.04998	4.2
77.03973	2.2
79.05131	2.1
79.05502	24.2
81.03394	10.0
81.07056	36.5
83.04964	9.4
83.08610	11.7
85.02921	5.3
85.06573	11.2
85.79170	2.8
89.06036	3.1
91.05480	25.1
93.06488	2.3
93.07047	47.7
95.04984	14.3
95.08611	48.5
97.02889	6.9
97.06523	7.1
97.10135	2.3
99.04463	3.8
99.08116	22.9
105.07050	24.6
107.04929	11.1
107.07871	3.1
107.08598	62.1
109.02872	2.7
109.06539	15.2
109.10168	24.4
111.04434	2.8
111.08077	8.4
112.53973	2.3
115.05499	2.3
117.07023	8.1
119.08579	17.9
121.06525	26.6
121.09324	3.6
121.10149	59.5
123.08073	23.0
123.11710	5.0
123.76587	2.2
125.05975	4.0
125.09620	8.6
129.06998	2.8
131.08556	28.4
133.10129	34.4
135.08061	19.4
135.11661	12.3
137.09608	5.8
139.11176	7.1
141.09009	2.5
143.08577	4.2
145.10135	12.3
147.11690	14.0
149.09633	85.0
149.13289	27.0
151.11189	26.9
151.48965	2.8
153.09103	10.0
158.10828	3.5
159.11670	5.5
160.72058	2.2
161.09610	2.6
161.13239	3.0
163.11099	3.9
163.14833	39.2
165.12796	2.3
166.95149	2.2
171.11642	4.7
173.13264	32.2
175.14809	3.8
185.13199	3.2
187.14848	3.2
191.14322	80.2
209.15387	100.0
271.20389	2.7
315.23135	2.4
369.24475	4.9
387.25235	4.2
523.86987	2.4
649.44580	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	649.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62352	4.5
53.03947	9.2
55.05519	30.8
57.03427	12.6
57.07064	7.2
61.02921	12.7
65.03946	4.9
67.05508	100.0
69.03426	27.7
69.07054	18.2
70.06614	7.8
71.04989	13.8
71.56512	6.8
72.08154	12.3
79.05498	40.1
81.03420	35.0
81.07068	52.0
83.04967	17.3
83.08608	15.4
85.02884	18.9
85.06518	9.8
91.03957	6.7
91.05487	59.8
93.07045	48.7
95.04960	20.1
95.08124	4.7
95.08615	46.3
97.02894	25.5
97.06529	12.6
97.10161	18.5
99.04475	7.2
105.07030	55.3
105.57080	5.0
107.08600	35.4
109.02820	6.6
109.06496	10.0
109.10155	63.7
111.04430	8.5
111.08047	6.6
117.07014	22.0
117.59070	5.2
118.22098	4.9
119.08590	44.7
121.06565	7.2
121.10143	28.8
123.08036	12.5
125.09591	11.2
127.03883	8.9
128.06163	6.7
129.07001	22.1
131.08519	33.5
133.10121	30.1
135.08049	7.9
135.11685	11.5
137.09563	8.2
141.06960	9.9
142.07755	6.5
143.08525	30.3
145.10147	43.6
147.08069	7.8
147.11691	22.5
149.09605	6.3
149.13255	8.9
151.07570	8.4
155.08591	15.0
155.10701	6.8
157.10109	27.3
159.11705	25.5
161.09569	5.4
161.13226	8.3
163.11148	10.7
167.08592	6.3
169.10114	14.0
171.07947	6.2
171.11646	17.9
173.11723	15.7
173.13263	13.7
175.11234	6.1
175.14833	9.1
181.10135	9.5
183.11710	14.5
185.09676	5.3
185.13254	15.2
187.14789	8.6
189.11269	12.2
189.12787	5.4
195.11714	5.1
197.13229	11.3
203.14317	5.5
209.13278	7.0
213.12726	6.0
221.15285	8.3
225.12955	6.5
227.12709	11.8
229.14384	18.0
245.13911	7.1
259.20560	16.0
283.20407	7.0
301.21542	7.6
325.60626	4.8
333.24414	5.6
367.22501	6.4
373.18591	6.1
385.23187	5.7
395.29370	6.4
487.34262	95.9
497.04318	5.4
583.35870	6.2
595.36188	16.0
613.37585	25.5
631.37988	28.6
631.46942	11.6
649.39099	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	649.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04491	0.4
60.73167	0.4
66.65868	0.3
67.05505	1.3
69.07076	0.6
71.56358	0.5
78.79831	0.3
79.05505	0.6
81.07067	1.3
83.08645	0.7
91.05462	0.5
93.07030	0.8
95.04961	0.4
95.08638	0.8
105.07042	0.9
107.08636	0.5
119.08552	0.5
133.10075	0.4
135.11742	0.4
145.10155	0.5
199.14912	0.5
308.06888	0.3
389.17917	0.9
397.99841	0.5
402.18552	0.4
403.19498	1.8
405.20697	0.6
415.19397	1.1
416.20105	1.3
417.16293	0.4
417.21091	3.0
418.21835	1.1
419.22446	1.2
420.70142	0.4
429.16699	0.7
429.21786	0.7
430.17920	1.4
431.18796	3.3
431.23196	1.2
432.19336	1.2
432.23996	0.8
433.24338	2.5
443.18854	1.3
444.19235	3.0
445.20065	6.8
446.21170	1.6
447.21927	1.7
457.20438	0.8
458.16629	0.5
458.22110	0.6
459.22421	6.1
460.22726	3.9
461.23566	4.0
472.18558	0.5
473.19226	5.2
474.20560	1.2
475.20935	0.4
475.25232	1.2
487.20514	2.5
489.23071	1.3
491.24680	0.5
501.22784	1.2
502.23792	2.6
503.24506	4.9
515.24469	1.4
517.22339	0.6
519.24243	1.6
531.23944	1.5
533.22021	0.8
545.22205	0.8
546.26190	1.0
547.27234	10.9
559.23163	0.7
560.23773	0.4
561.24750	3.1
563.26331	0.5
574.26666	0.5
575.27295	0.6
589.28131	19.6
590.28760	1.1
591.26074	0.6
607.29193	2.5
620.26208	0.6
649.30231	100.0
650.30646	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	649.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.00102	1.0
55.05520	2.6
67.05492	3.9
68.05019	1.2
69.03418	3.9
69.07054	4.2
69.30209	10.1
70.06591	6.3
71.04990	1.2
72.08151	2.8
75.41842	1.1
79.05486	4.1
81.03405	4.3
81.07080	6.6
83.04984	2.3
84.08140	1.4
85.02925	2.7
85.06544	1.5
86.09719	1.1
87.00829	1.1
89.03938	1.7
91.05486	3.8
93.07051	5.2
94.06566	1.6
95.04980	2.1
95.08596	4.2
96.08117	2.6
97.02287	1.8
97.02900	29.4
97.06547	1.6
97.10147	1.3
105.01821	1.3
105.07028	4.4
105.85418	1.2
106.02917	2.6
107.04960	1.4
107.08578	3.6
109.02895	3.1
109.06547	1.7
109.10148	2.7
110.06071	1.3
117.03372	2.0
117.07016	1.7
118.06503	1.3
119.08555	3.8
120.04491	1.1
121.02879	1.4
121.10132	3.8
122.06031	4.8
123.04456	1.3
123.11694	1.7
124.03954	4.1
124.07599	36.7
124.08485	1.9
125.92968	1.4
127.03872	2.9
129.06970	1.1
131.08519	2.4
133.01457	1.2
133.10107	1.7
134.06033	2.4
135.04404	2.9
135.11739	1.7
137.05969	1.5
137.09589	1.2
144.04407	1.5
145.02838	4.4
145.04979	1.6
145.06448	1.4
145.10114	1.5
146.06012	10.9
147.04434	4.2
147.06712	1.2
147.11664	2.4
148.07561	3.4
149.05968	1.9
149.09628	2.2
149.13249	1.6
151.07530	2.5
152.07092	1.6
153.05475	3.3
159.11716	1.8
161.09660	1.2
161.13249	1.5
163.03920	11.0
167.07085	2.2
172.03989	8.7
173.04713	3.0
174.05522	14.0
175.07480	1.4
176.07053	7.9
177.05487	7.7
190.04971	2.0
191.05722	3.5
192.06505	1.6
197.07161	1.3
197.10735	1.5
204.06551	16.2
205.15916	1.1
206.08105	4.3
211.08601	1.4
213.10214	2.6
215.11861	2.7
220.06073	3.4
224.09439	1.2
225.10295	3.1
227.11797	1.8
237.10190	2.2
238.07106	2.4
239.08208	1.3
239.11887	1.9
241.09622	3.2
243.11296	13.8
244.02399	1.1
249.10165	1.9
251.11835	2.4
253.13609	1.5
257.09390	1.3
257.12808	2.0
263.11786	1.4
265.09656	4.4
266.10617	1.6
267.11395	1.6
269.08578	1.5
269.12799	9.2
271.10815	1.4
271.14374	2.1
273.12149	1.5
279.11447	1.8
281.08258	1.7
283.10699	5.6
285.12308	18.2
287.10257	3.3
297.12326	24.6
298.12949	1.6
299.10187	4.6
301.11743	2.8
303.13422	38.7
304.14114	2.3
307.48508	1.2
309.12402	1.5
313.11761	1.3
315.13452	8.0
316.10938	1.4
316.14450	2.3
318.15924	3.6
319.16724	2.7
323.10336	1.5
329.15036	5.9
330.12518	2.3
331.13388	1.6
344.13953	3.0
345.14703	3.0
346.15433	5.0
347.16245	5.1
356.13998	2.1
358.12003	1.3
358.15839	1.5
360.17139	6.0
370.11832	2.2
371.12799	3.3
372.13269	6.3
373.14111	3.4
374.15027	5.2
378.18265	1.5
384.13315	1.5
385.14157	1.8
386.15024	10.2
387.15884	9.7
388.16580	8.5
396.13620	1.4
400.16959	1.4
402.14087	2.9
404.15909	4.5
405.16995	3.4
406.17572	5.3
414.14404	9.0
415.15283	18.4
416.16147	21.0
418.17752	2.3
428.15909	2.7
429.16827	2.0
430.17606	4.2
432.15552	2.8
433.16254	5.3
434.17117	6.5
446.17075	6.3
447.17807	2.8
456.15356	3.1
457.16086	2.1
458.16443	1.3
460.14929	1.9
474.16599	29.3
475.17355	16.0
476.18192	6.7
486.12265	1.7
506.19229	3.0
507.19528	2.0
509.51590	1.2
555.25616	1.4
557.23743	2.7
581.23676	6.4
599.25024	100.0
600.25031	4.5
613.25684	1.2
617.25751	1.8
631.26953	5.0
631.36188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.1
55.01871	0.1
55.05501	0.2
56.05017	0.1
57.03416	0.2
65.03909	0.1
67.05508	0.6
69.03415	0.5
69.07048	0.4
70.06595	1.2
71.04996	0.1
71.55757	0.2
72.08160	0.8
79.05493	0.6
79.49153	0.1
80.52086	0.1
81.03417	0.5
81.07056	0.8
82.06576	0.2
83.04972	0.2
84.08149	2.2
85.02902	0.8
85.06545	0.2
86.09682	0.2
87.00845	0.2
89.03942	0.2
91.04037	0.1
91.05470	0.8
93.07053	0.7
95.04945	0.4
95.08610	0.6
97.02897	1.3
97.06535	0.3
98.09682	0.2
99.04448	0.2
103.05489	0.2
104.76403	0.1
105.07026	0.8
107.04955	1.7
107.08575	0.5
108.02085	0.1
109.02867	0.3
109.06519	0.3
109.10154	0.4
111.04456	0.1
111.08085	0.1
115.03809	0.1
116.07104	0.2
117.03333	0.2
117.07012	0.2
118.04174	2.3
119.04968	0.3
119.08565	0.4
121.06499	0.2
121.10130	0.5
123.04422	0.2
123.08069	0.2
126.09139	0.1
127.03932	0.6
128.06233	0.2
129.06952	0.2
131.04971	0.2
131.08600	0.1
133.02832	0.3
133.06483	0.4
133.10117	0.4
135.04414	0.3
135.08086	0.2
135.11688	0.2
136.01646	0.2
136.07608	0.3
137.02322	0.9
137.05943	0.4
137.09616	0.2
142.07774	0.1
143.08588	0.2
145.02867	0.2
145.10112	0.3
147.04411	0.8
147.11684	0.2
151.03922	0.2
151.07506	0.2
153.05476	0.5
153.07011	0.1
154.02605	1.3
155.08629	0.1
156.05753	0.1
157.06577	0.2
157.10130	0.2
158.07248	0.2
159.11693	0.2
161.05911	0.1
163.03920	1.6
163.11160	0.1
167.07076	0.7
167.08337	0.1
170.07246	0.3
171.07994	0.1
171.13922	0.1
173.13225	0.2
175.14809	0.1
177.05502	0.3
181.06502	0.6
182.07262	0.3
184.05157	0.1
187.07556	0.2
191.17917	0.2
195.08072	0.2
197.06006	1.1
198.06784	0.7
201.03938	0.2
205.08730	0.1
209.05994	0.2
213.09106	5.2
225.05396	0.7
226.06276	2.6
237.05473	4.8
238.06012	0.1
239.07130	0.2
241.08661	0.2
253.04944	3.6
254.05745	5.7
255.06232	0.2
269.08078	100.0
270.08429	1.6
285.12274	0.2
288.14386	0.2
303.05118	0.2
401.16547	0.1
431.13354	0.5
455.35349	0.2
466.79575	0.1
487.21359	0.2
648.42676	0.5
649.26483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
55.05518	0.8
57.03451	0.7
57.90590	0.4
61.02933	0.7
67.05508	1.4
69.03434	22.0
69.07082	1.1
70.06601	3.4
71.04989	1.5
71.55521	0.4
72.08180	0.6
73.02928	0.6
79.05491	1.2
80.16843	0.4
81.03433	1.3
81.07066	2.5
83.05009	0.7
84.08159	1.9
85.02915	6.7
85.06522	0.4
85.18273	0.3
85.70541	0.3
86.09709	0.4
91.05483	1.1
93.07043	2.1
95.04985	1.4
95.08601	1.9
97.02900	54.4
97.06545	0.9
98.03264	0.4
99.04456	0.4
105.07027	1.5
106.12350	0.3
107.04977	1.2
107.08598	1.7
109.02872	1.1
109.06554	0.8
109.10171	1.1
111.00821	0.4
111.04433	0.4
111.08134	0.4
115.03983	1.8
117.03355	0.5
117.07030	0.4
119.04977	0.4
119.08584	1.4
121.02902	1.7
121.06496	0.5
121.10161	1.4
121.78716	0.4
127.03945	2.4
131.08598	0.8
133.10158	1.1
135.04404	1.0
135.08069	0.7
135.11708	0.5
136.07558	0.6
137.02339	0.8
137.05997	0.6
137.09631	0.5
139.03885	0.6
139.13525	0.5
145.02878	0.8
145.10115	0.9
147.04411	2.1
147.11656	0.8
153.01881	2.6
153.05481	2.5
157.04976	14.6
159.11693	0.7
161.13269	0.5
163.03905	4.0
163.11230	0.5
164.07074	0.6
165.01848	1.3
167.07268	0.5
168.13759	0.4
171.11652	0.5
175.07703	0.4
177.05527	0.8
177.16444	0.4
183.03001	0.5
187.14783	0.4
189.09152	0.4
189.16321	0.5
213.05527	1.1
217.07103	3.6
231.06573	0.7
241.05101	0.6
243.11324	0.4
258.05249	1.0
269.08102	1.2
287.05515	100.0
288.05844	1.4
299.05536	0.6
303.13403	0.9
355.12601	0.5
365.06335	0.7
383.99963	0.4
401.12250	2.5
433.11401	4.1
439.54996	0.5
455.34979	0.4
468.74155	0.4
475.17059	0.4
494.18552	0.5
496.20239	0.5
599.24622	0.8
617.25928	0.7
631.27094	0.4
631.37030	0.5
667.83618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	3.8
57.03427	1.4
57.07074	3.2
67.05511	8.7
69.03082	3.2
69.03437	45.8
69.07056	6.6
71.04987	1.6
71.57000	1.7
73.15102	1.3
74.79626	1.3
75.04462	2.3
77.44450	1.4
79.05510	8.9
81.03410	3.9
81.07059	13.8
83.04974	3.7
83.08618	2.0
85.02893	2.3
85.06517	3.0
91.05488	8.5
93.07031	10.6
95.04955	2.6
95.08616	11.8
97.02869	1.7
97.06524	4.9
97.29518	1.8
105.07061	7.2
107.08597	21.0
109.06522	4.5
109.10163	5.1
111.08055	3.8
117.07044	3.7
119.08559	8.1
121.06517	2.0
121.10152	10.6
123.08094	3.6
123.11728	9.1
124.07619	2.5
125.09650	25.2
129.06941	1.7
131.08572	6.9
133.10123	8.1
135.08084	12.2
135.11682	6.9
142.08647	3.4
143.08530	1.8
145.10123	5.6
145.22641	1.6
147.11682	3.2
149.09598	7.6
149.13269	4.6
151.11128	2.2
153.09120	6.8
158.10948	2.8
161.13336	1.7
163.11121	3.2
163.14818	5.8
165.12778	3.4
173.13260	22.4
191.14322	89.4
191.38878	1.7
209.15381	100.0
603.63416	1.7
660.75592	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01876	2.8
55.05516	12.1
57.03447	2.8
57.07085	3.0
59.04994	6.1
67.05508	25.5
69.03413	8.0
69.07043	5.6
69.43442	1.8
69.55285	13.0
75.04492	2.7
79.05508	17.4
81.03418	9.6
81.07075	24.1
83.04975	2.4
83.08609	2.6
85.02919	2.8
85.06532	4.4
85.24824	2.1
91.05488	20.4
93.07048	17.1
95.04976	7.7
95.08612	16.1
97.02888	5.6
98.20782	3.8
105.07051	21.6
107.04955	5.0
107.08598	25.4
109.06523	20.7
109.10165	19.9
111.04392	2.4
111.08119	3.0
117.07022	7.8
118.54856	2.3
119.08596	16.6
121.06506	2.3
121.10145	9.4
123.08078	11.3
129.07008	3.6
131.08546	10.5
133.10104	8.0
135.08055	7.5
135.11682	7.3
137.09628	100.0
141.07086	2.4
143.08545	4.8
145.10139	7.3
147.08112	3.6
147.11702	7.9
147.27235	2.3
149.09625	6.7
157.10115	5.4
159.11717	7.0
161.13266	9.8
163.11121	4.1
168.33885	1.9
169.10025	2.4
171.11716	4.7
173.13261	3.5
177.12779	3.1
183.11668	2.4
185.13316	3.7
189.12730	7.1
195.11723	2.1
207.11865	1.9
207.13733	10.5
221.15308	2.7
263.51678	2.4
275.20148	3.4
357.24744	2.6
369.24518	2.7
387.25220	3.6
405.26215	2.8
501.54941	2.6
647.37671	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	647.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.1
65.03951	0.6
67.05486	0.2
68.99818	0.2
69.03412	0.3
69.07046	0.3
70.06567	0.4
70.90916	0.3
79.05492	0.2
81.03416	0.2
81.07036	0.3
83.04983	0.2
85.02918	0.6
91.05494	0.2
93.03404	0.5
93.07062	0.2
93.71414	0.1
95.08633	0.3
97.02875	0.4
97.06551	0.1
105.03402	0.3
105.07048	0.1
107.08591	0.2
111.08022	0.1
119.04932	0.1
119.08558	0.1
121.02862	1.3
121.06506	0.1
121.10095	0.1
123.08028	0.1
127.03944	0.2
131.08569	0.1
134.03644	0.3
135.04411	0.2
137.06000	0.1
141.01797	0.2
147.04427	0.2
149.02342	1.5
150.03096	0.1
151.03903	0.3
152.06242	0.3
153.05652	0.2
153.07001	1.2
161.02336	0.3
163.03923	0.4
164.04729	0.1
165.07036	0.3
167.03409	5.0
170.07257	0.3
175.03844	0.2
177.05458	0.2
180.05650	0.1
181.06485	2.4
197.06035	0.3
198.06726	0.7
199.07468	0.2
205.08600	0.3
207.06555	0.2
209.05980	2.0
210.06883	0.2
213.05487	0.2
213.09076	1.5
225.05414	0.4
226.06253	0.7
227.06972	0.4
237.05469	3.3
238.06255	0.5
241.08582	0.3
243.11255	0.1
253.04837	0.2
254.05733	2.0
255.06517	0.4
265.04965	3.3
266.05664	0.7
267.87936	0.1
269.08041	1.4
270.06171	0.2
270.08884	1.3
282.05243	5.7
282.12408	0.4
283.06018	1.9
285.07538	0.2
285.12497	0.2
293.11707	0.3
296.06824	0.2
297.07581	44.4
298.08307	4.6
309.07608	0.8
311.09256	0.3
321.11108	0.6
323.09116	0.8
337.10828	0.2
338.11517	3.2
353.13828	100.0
354.14169	2.4
399.10776	0.2
515.18945	0.5
647.29578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.1
61.13809	0.1
67.05504	0.2
69.03420	0.3
69.07055	0.2
70.06588	0.3
70.73792	0.3
72.08160	0.1
78.04716	0.2
79.05500	0.2
81.03420	0.3
81.07043	0.3
85.02892	0.3
85.97189	0.1
88.32352	0.1
89.03932	0.3
93.07024	0.2
95.08586	0.2
97.02908	0.4
97.06519	0.2
105.03394	0.1
105.07047	0.2
107.08607	0.3
109.02862	0.2
109.06612	0.1
109.10138	0.3
110.84921	0.1
115.52095	0.1
117.03345	0.2
119.08566	0.2
121.06539	0.2
127.03895	0.3
131.04922	0.1
133.10118	0.1
134.03644	6.7
135.08052	0.2
136.06267	0.1
137.05986	0.2
141.06956	0.2
147.11613	0.2
148.07683	0.1
149.02359	0.5
152.06245	0.4
153.05733	0.2
153.06989	1.7
155.04915	0.2
163.03925	0.2
165.07048	0.3
166.02611	0.2
167.03435	0.3
169.06496	0.4
169.51759	0.1
170.07260	0.3
177.05525	0.3
181.06494	2.6
183.04463	0.4
197.05940	0.2
197.69301	0.1
198.06769	0.4
203.07051	0.2
208.26544	0.1
209.05972	2.0
215.07291	0.1
225.05515	1.5
226.06235	2.1
227.06949	0.2
237.05486	6.8
238.06052	0.2
241.08286	0.1
253.05017	0.2
254.05779	0.9
259.10727	0.1
265.04971	7.3
265.66138	0.1
269.08023	0.6
271.03387	0.2
279.06577	0.2
281.04495	1.4
282.05246	17.0
283.05823	0.5
297.07581	100.0
298.08023	2.4
301.11740	0.3
313.03445	0.3
338.11420	0.8
353.13837	99.3
354.14230	2.2
355.08289	0.2
399.10764	1.3
424.08948	0.1
474.59897	0.1
515.19275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	27.1
67.05499	70.6
69.07047	27.1
71.56394	25.9
79.05494	75.3
81.07056	72.1
91.05467	90.9
93.07055	100.0
95.08610	74.6
105.07035	97.6
107.08591	64.5
109.10139	24.6
109.16473	18.0
117.07065	19.2
119.08585	48.8
121.10162	35.4
131.08577	38.1
133.10133	74.9
135.11696	28.4
145.10127	24.0
147.11671	65.6
173.13182	18.8
187.51572	18.7
241.19548	29.2
259.20557	55.5
277.98044	19.2
333.24210	23.0
335.25806	49.6
573.61560	20.2
611.45905	21.6
628.16711	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	647.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
55.01864	0.2
55.05492	0.4
57.07029	0.2
65.03924	0.2
66.60203	0.2
67.05461	0.6
69.03393	0.5
69.07030	0.4
70.06556	0.4
71.04962	0.2
71.55850	0.3
72.08125	0.4
79.05457	0.4
81.03391	0.5
81.07018	0.7
83.08603	0.5
83.09056	0.2
85.02862	0.6
87.04423	0.3
88.32494	0.2
89.06005	0.5
91.05441	0.2
93.07001	0.5
95.04952	0.4
95.08582	0.4
97.02866	0.5
97.06510	0.2
97.10160	0.2
99.04436	0.2
105.07010	0.7
107.08572	0.5
109.06494	0.4
109.10117	0.5
115.03917	0.2
118.29539	0.2
119.08572	0.4
121.10105	0.5
123.08080	0.2
127.03899	0.3
129.07021	0.2
131.08591	0.3
133.06450	0.8
133.08575	0.3
133.10123	0.4
134.17323	0.2
135.04411	1.5
135.07957	0.2
135.11758	0.3
137.02255	0.3
141.01831	0.5
145.10110	0.5
147.04385	0.3
147.08066	0.2
147.11725	0.3
149.02336	0.6
159.11650	0.3
161.13281	0.3
163.03917	0.2
165.01837	2.1
167.10634	0.4
173.09590	0.2
175.11214	0.3
183.02954	1.4
183.11665	0.2
193.05009	0.4
200.20105	0.3
202.31062	0.2
241.08797	0.2
254.05815	2.7
259.38052	0.2
269.08170	0.8
282.05240	6.7
285.07581	0.8
297.07574	100.0
298.07916	1.6
299.09128	0.4
303.60953	0.2
353.13840	29.3
354.14236	0.6
430.12302	0.3
485.17926	0.3
515.18988	0.3
647.32953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.5
57.03419	1.8
57.07079	100.0
58.04214	10.7
59.05005	30.0
62.43446	1.7
65.58104	1.7
67.05177	2.1
67.05491	11.9
69.07069	7.4
70.63168	3.7
70.63528	3.8
71.04990	3.8
71.08637	67.9
72.05782	13.9
73.02919	5.8
73.06554	23.1
75.04476	3.9
79.05502	4.3
81.07050	12.7
82.07853	2.4
83.08618	6.1
85.10188	56.5
86.07363	2.8
87.04474	26.3
88.05246	5.4
89.06036	32.4
90.01917	44.6
91.05486	5.8
93.07039	6.5
95.08603	6.6
97.06545	3.0
97.10150	4.7
99.11735	7.4
101.06020	4.7
102.05580	2.3
103.07590	14.3
105.07040	4.0
107.08626	2.9
109.10149	3.3
111.11744	2.2
113.13287	2.8
116.08341	6.2
117.09145	13.8
119.08578	4.2
121.10139	3.6
123.11726	2.2
131.07039	2.7
131.08603	2.5
133.08585	15.9
141.16301	2.5
147.10144	5.5
147.11760	2.2
152.15636	3.9
155.17946	6.1
161.11707	5.4
173.16917	2.0
177.11237	6.7
178.07129	7.0
179.12801	3.4
179.14302	2.1
183.17455	1.9
194.13914	3.9
208.15465	2.7
212.21321	4.0
213.22212	4.3
222.09697	12.0
222.17021	4.9
223.15500	2.5
252.18089	3.1
257.24698	4.4
266.12405	6.2
266.19647	4.2
268.17578	4.0
296.20712	6.0
310.22290	7.5
326.21695	3.7
335.25674	2.4
340.23492	5.1
356.22305	2.3
362.32727	5.5
400.87442	1.9
406.35373	6.9
416.21011	6.8
438.42325	2.1
450.37939	3.4
494.40659	17.6
510.39688	3.7
538.42523	2.5
554.41858	2.5
618.11108	2.2
645.25970	59.9
645.44781	3.8
646.26544	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	646.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27078	1.3
65.45319	1.3
69.31657	5.5
69.32079	4.9
77.01714	1.1
120.19439	1.2
160.99370	1.2
267.73108	1.3
371.74136	1.3
417.20740	3.2
418.21744	1.6
431.18668	4.5
433.23718	5.8
444.19418	4.1
445.19885	6.2
446.20944	2.5
459.21802	46.8
460.22476	10.3
461.23306	5.0
473.23520	3.0
487.25586	1.7
519.23651	8.0
531.23798	4.2
543.01312	1.4
546.26819	1.6
547.27045	26.5
574.25977	1.7
591.26141	2.7
606.28326	100.0
607.28571	3.8
617.26959	2.2
646.29553	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	644.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.8
55.05520	4.1
57.07080	100.0
59.05005	31.5
67.05503	4.7
69.07077	6.1
69.63406	1.9
69.63822	3.9
71.04977	1.4
71.08637	99.2
71.30714	0.8
72.08949	0.8
73.06540	1.5
79.05497	2.0
81.07046	3.7
82.48486	0.9
83.08638	4.3
85.06588	1.0
85.10189	94.8
87.04467	8.4
87.08109	1.1
89.06040	74.7
91.05477	3.1
93.07034	2.6
95.04964	1.2
95.08611	2.3
97.10127	1.5
99.11737	11.5
101.06026	1.3
101.09650	2.3
103.07615	1.5
105.07030	2.5
107.07079	1.6
107.08621	1.8
111.11702	1.4
113.05997	0.8
117.09151	7.4
119.08629	1.8
121.10179	1.6
130.08620	1.5
131.07028	3.4
131.08589	1.1
133.08614	58.7
141.16405	9.5
145.10173	1.6
147.10068	1.1
150.09100	1.2
159.11681	1.0
175.09677	3.1
177.11221	26.0
199.20593	24.8
214.25548	1.0
219.12260	1.2
221.13849	4.0
239.15012	2.0
240.23253	1.7
255.73579	0.8
257.24774	9.5
265.16495	1.3
275.20053	1.0
283.17337	2.0
327.20102	2.9
371.22787	16.7
411.25827	2.0
429.26999	2.7
459.27933	1.2
515.38263	1.1
546.39288	1.1
626.44592	1.6
644.47766	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	644.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.7
57.07079	90.4
59.05007	14.7
67.05512	2.0
69.07071	2.6
69.24084	7.0
71.08636	62.5
73.06564	4.0
75.40160	0.6
77.93707	0.8
79.05502	1.9
81.07063	2.4
83.08620	1.8
85.10186	49.3
87.04473	10.8
89.06035	100.0
91.05477	1.5
93.07053	1.7
95.08605	1.4
97.10173	1.6
99.11733	9.2
101.06001	0.7
103.07586	5.1
105.07021	2.0
107.07062	2.1
107.08626	1.5
109.10146	1.2
113.13300	3.6
114.21445	0.7
117.09149	3.4
119.08559	1.4
121.10105	1.3
130.08643	2.9
131.07074	5.3
131.08597	0.9
133.08609	74.2
141.16402	1.4
155.17960	6.1
161.11679	1.0
173.11755	0.7
175.09663	4.3
177.11234	31.1
213.22185	5.2
219.12361	0.9
221.13896	5.4
236.70401	0.7
239.14906	1.3
257.24820	3.3
265.16312	1.1
283.17438	2.3
309.19150	0.9
327.19989	3.1
371.22623	3.0
397.24472	0.7
415.25415	11.8
455.28168	1.5
459.83441	0.7
584.21533	1.1
627.45721	1.9
644.23267	1.0
644.48126	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	644.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37786	1.2
53.72929	1.2
55.05495	4.7
57.03429	3.8
57.07080	32.7
59.05000	1.3
60.03420	1.6
61.02936	11.8
63.37829	1.2
67.05507	11.2
67.22269	1.2
69.03425	2.3
69.07071	8.6
70.06580	2.8
71.04965	1.2
71.08633	26.9
72.08144	4.1
73.02900	4.8
75.04473	2.1
79.05479	2.3
80.18217	1.1
81.03416	1.3
81.07067	15.4
83.08598	4.6
85.02910	14.3
85.10184	15.6
87.67855	1.2
89.10802	1.3
91.03966	13.4
91.05471	2.7
93.07030	3.6
95.08611	24.5
97.02901	9.5
97.10168	5.3
98.04131	1.4
98.21536	2.5
99.04446	1.7
105.07013	3.6
107.08574	2.7
109.10170	12.4
111.11710	3.0
116.02285	1.2
118.43985	1.3
119.08591	1.9
121.10126	1.6
122.58568	1.3
123.11723	6.2
127.03912	4.7
133.10129	1.5
134.01785	1.4
137.13196	1.5
145.04987	7.1
163.06047	9.3
164.08070	1.5
188.39999	1.4
211.20567	24.4
229.21611	4.1
271.87607	1.5
274.68887	1.3
285.24255	100.0
303.25299	35.0
309.91235	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90815	1.2
54.11411	1.1
55.74578	0.9
65.03967	1.5
67.05502	2.9
68.03323	1.0
69.03429	2.0
69.07064	2.1
69.34581	9.2
70.06576	2.1
72.08159	3.0
79.05484	2.4
81.07065	2.3
82.06593	1.1
83.04999	1.6
85.02898	1.7
89.10751	1.6
91.05482	3.6
93.07047	4.5
94.06576	7.3
95.04967	1.4
95.07351	3.3
95.08622	2.5
96.08127	6.9
97.02874	1.6
97.06529	3.0
103.05444	1.2
105.07047	1.8
107.04954	1.2
108.04482	3.0
108.08132	12.0
109.06513	1.3
109.10133	2.0
110.09695	10.3
116.04996	3.6
120.04499	5.4
120.08118	7.2
121.10118	1.4
122.06023	4.8
124.07607	7.8
127.03919	1.0
134.06047	2.9
136.07567	8.0
138.09143	10.6
143.08560	1.4
144.04446	6.6
145.10104	1.9
146.06038	5.4
148.07576	2.8
148.72665	1.1
152.07048	2.2
153.05510	2.0
154.04967	1.0
160.03979	2.7
162.05487	4.2
162.09108	1.2
163.03931	3.0
164.07109	2.5
166.08653	13.9
167.07050	2.3
172.03929	23.2
172.07454	1.3
174.05551	1.6
176.07022	2.8
183.09178	1.3
190.04979	17.1
197.10754	1.5
199.08739	1.4
199.12303	2.5
200.32401	1.2
204.06569	40.4
211.08745	2.3
211.12198	1.8
212.09468	3.4
223.11971	1.5
224.09137	1.5
225.10246	12.7
227.11781	14.7
235.08762	1.5
236.09436	2.5
237.10220	4.8
238.10988	1.6
239.11842	5.5
241.09845	1.8
241.13376	2.1
249.10249	1.7
251.08066	1.6
251.11774	4.5
252.08723	1.3
253.09714	6.9
253.13489	2.1
261.10123	1.2
264.08954	2.7
265.09647	1.8
267.11230	2.6
269.12857	20.8
271.10712	8.6
273.12280	8.4
274.51096	1.1
277.09689	2.3
279.11273	3.4
281.09067	1.2
283.10684	6.3
284.11545	5.1
285.12418	7.2
286.13184	1.7
286.42206	1.1
287.13934	19.4
295.10751	2.1
297.12369	11.4
298.10773	1.3
299.14047	5.1
311.10303	1.5
312.15027	1.2
313.12198	2.6
314.12955	2.6
316.10999	1.5
316.14423	1.9
323.10199	6.9
325.11856	24.7
327.13565	6.0
328.10773	4.0
328.14380	3.2
329.15002	1.6
330.15985	2.8
339.09698	1.4
339.13940	1.7
340.14383	1.3
341.11508	2.0
342.12415	8.4
343.13055	9.1
353.12857	1.8
353.76248	1.2
354.12469	1.5
356.13925	5.4
357.14511	8.8
358.15500	4.5
365.11414	1.2
365.55356	1.1
366.16028	1.5
367.13229	1.9
370.11465	1.7
370.15594	5.7
371.16281	2.3
372.17160	2.7
378.18216	2.0
380.14209	1.7
382.11987	6.2
383.12454	3.5
384.13287	3.7
385.14035	2.1
386.14536	2.3
386.18719	3.1
390.18115	3.9
394.15445	1.8
398.15015	19.8
399.15820	26.9
400.16360	1.7
402.18274	1.3
404.15811	5.6
412.16800	1.5
414.18143	4.4
416.16037	17.8
417.16382	1.3
422.16763	2.6
425.12231	2.5
428.15833	2.7
430.17474	2.5
440.16122	5.1
446.17075	18.4
458.17068	48.7
459.17123	2.3
478.19177	1.8
490.19696	9.8
565.24127	2.2
567.25684	4.9
569.24182	11.2
583.24805	2.1
593.24133	10.9
611.24994	100.0
612.25104	3.7
643.29456	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49221	0.4
55.05511	0.6
57.07074	1.0
60.86604	0.5
67.05506	1.6
69.07089	0.5
70.81320	1.0
71.08630	1.4
78.56743	0.4
79.05512	0.9
81.07066	1.5
85.10202	0.6
91.05520	0.9
93.07049	1.0
95.08628	1.2
97.06572	0.6
105.07041	0.9
107.08570	1.1
107.32014	0.4
109.10215	0.5
119.08606	1.1
121.10129	0.4
135.11752	0.5
145.10191	0.7
166.39940	0.4
179.14337	0.6
208.24547	0.4
277.21823	0.7
316.48148	0.4
380.43469	0.4
443.43872	0.5
625.44830	0.6
643.25281	100.0
644.25470	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	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20793	0.7
64.42352	0.7
66.56097	0.7
69.46410	2.0
69.46835	2.7
91.05392	0.7
96.38415	0.6
98.21507	0.7
396.12015	0.8
397.12906	1.6
398.13571	0.9
410.13739	2.7
411.14706	6.2
412.15585	3.4
413.16174	1.6
417.65762	0.7
423.14819	1.3
424.10754	0.8
424.15509	1.4
425.16293	10.1
426.16928	8.2
427.17459	1.6
428.18137	1.3
438.13101	3.0
439.13699	15.1
440.19098	4.5
441.19315	33.5
442.19467	1.9
452.14465	5.4
453.15308	15.5
453.24814	0.8
454.15851	5.0
455.16971	0.9
465.14972	1.2
467.17212	23.3
468.17905	13.2
469.18866	11.3
471.16660	1.4
480.17676	0.9
481.14801	15.8
482.15396	3.2
485.17490	0.9
486.19186	0.8
495.16702	2.4
496.17087	16.7
497.17572	1.9
509.18201	1.5
514.22278	1.4
523.20026	1.0
527.22784	2.9
555.22406	31.0
556.22638	2.4
583.21924	100.0
584.22107	7.7
587.25031	2.1
611.21698	1.6
615.24554	12.7
616.25256	1.0
643.23944	60.8
644.24188	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	643.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01867	1.0
55.05503	2.5
57.03436	0.7
63.54608	0.7
67.05511	5.8
68.05840	0.7
69.07066	1.6
70.75696	2.0
71.08645	0.9
79.05510	4.4
80.86000	0.9
81.03445	1.1
81.07063	6.2
82.59361	0.7
83.05003	1.2
83.08658	1.0
91.05489	5.2
93.07061	5.0
95.04974	2.0
95.08623	3.6
97.06518	1.3
105.07027	3.2
107.08603	3.5
109.10165	2.1
117.07084	1.0
119.08595	2.7
121.10152	2.1
129.07004	1.6
131.08575	2.6
133.10139	2.2
135.08026	0.7
135.11674	1.7
137.09648	0.8
144.22583	0.7
145.10091	1.9
149.09698	1.1
149.54414	0.7
157.10065	1.4
159.11768	1.3
161.13280	0.8
163.11273	0.9
179.14317	1.0
183.11832	0.8
192.86731	0.7
213.00125	0.7
225.03113	0.8
261.22253	0.8
273.18643	0.9
275.20050	2.2
277.21628	0.8
291.19562	1.1
345.18280	0.7
379.77362	0.8
396.12164	1.3
397.12924	1.9
398.13327	1.2
410.13666	2.5
411.14587	4.2
412.15350	3.4
413.15784	1.5
423.14899	1.2
424.10767	1.3
424.15469	3.0
425.16205	10.4
426.16904	6.2
427.17374	1.8
428.19101	1.0
438.12344	5.0
439.13214	8.2
440.18304	2.6
441.19290	24.1
442.19525	3.1
449.32098	0.8
451.13922	1.1
452.14279	4.5
453.15356	12.1
454.16190	3.1
465.15143	0.9
466.16702	1.3
467.17288	20.4
468.17874	12.7
469.18912	10.7
470.19119	2.2
481.14938	14.7
482.15048	4.5
495.16443	6.7
496.17026	40.5
497.17493	3.4
498.19101	0.9
509.18594	1.3
510.18491	1.0
514.17700	1.0
523.19452	1.3
527.23004	1.8
528.19061	1.4
537.19513	1.3
542.21912	1.5
545.39050	1.0
555.22504	20.2
556.22974	1.0
568.19263	1.0
583.21948	100.0
584.22314	8.0
586.20959	1.1
587.24884	1.0
593.27264	1.1
611.21002	2.4
615.24445	7.1
625.29285	2.6
625.44055	1.5
643.23633	64.8
643.45569	2.3
644.23511	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	642.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20468	1.8
55.01873	2.1
55.05506	6.3
55.26232	1.6
57.03418	2.2
57.07085	27.3
59.05007	10.4
67.05510	12.8
69.03414	4.6
69.07062	6.8
69.17407	1.9
70.38483	5.2
70.76997	1.6
71.04984	4.0
71.08299	1.5
71.08640	22.0
73.02937	9.1
73.70425	1.6
79.05501	8.2
80.05851	2.1
81.03405	5.3
81.07076	15.8
83.08624	5.6
84.11843	1.8
85.02918	26.8
85.06532	2.8
85.10189	16.6
89.06036	4.0
90.64175	1.7
91.05502	10.0
93.07043	8.3
95.08621	13.1
97.02886	4.2
97.10159	1.9
105.07047	17.9
107.08595	8.8
109.02880	2.0
109.06499	2.6
109.10131	7.3
117.07005	2.1
119.07774	2.9
119.08578	23.8
121.06512	1.8
121.10157	5.8
123.11723	33.3
125.05982	3.8
127.03889	2.8
130.07756	2.1
131.08566	6.0
133.06483	8.6
133.08633	1.8
133.10152	2.3
143.08521	3.2
145.10118	22.0
147.11705	28.6
149.09563	3.2
155.17963	1.8
156.09341	7.1
159.07994	2.8
165.12610	1.9
171.11693	5.5
174.10440	1.8
183.13840	3.2
189.12764	100.0
198.07816	1.7
199.20578	5.0
201.14894	4.5
207.13812	24.7
225.14958	4.1
239.23663	3.9
240.34723	2.1
275.19943	2.2
277.55090	1.7
333.23703	2.0
383.27753	3.8
401.29089	4.3
530.38806	2.4
545.38330	2.6
642.44897	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	642.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05516	8.9
56.05029	4.0
57.03433	2.9
57.07079	30.4
59.05011	3.2
64.05484	2.0
65.03934	1.8
67.05228	1.8
67.05511	23.2
68.05020	2.5
69.03082	3.2
69.03433	53.1
69.07073	18.5
69.89364	3.7
69.89778	5.5
70.06581	3.1
70.69738	1.9
71.04994	4.6
71.08630	29.3
73.06547	5.6
79.05492	13.6
80.05014	2.7
80.05833	3.1
81.03422	5.0
81.07068	15.8
82.06570	6.8
83.08612	6.5
84.04503	4.7
84.08144	27.3
85.10186	13.2
86.06060	4.4
87.04476	17.4
88.04004	2.7
89.06038	61.6
91.05486	9.9
93.07047	15.6
94.06554	6.6
94.07334	2.0
95.04963	3.7
95.08599	15.2
96.08120	3.2
97.06591	2.1
97.10150	7.4
97.70258	2.1
98.06068	2.4
102.05563	8.3
105.07035	6.3
105.13232	1.7
107.08569	5.1
109.10149	11.6
110.06049	2.2
111.11684	2.2
112.07610	100.0
113.13293	1.9
117.07018	2.0
117.09147	4.9
119.08586	7.4
121.10117	5.8
123.11686	2.0
124.07610	4.0
129.06982	3.0
131.08585	3.3
133.07648	2.5
133.08618	35.6
133.10165	3.7
140.07069	93.0
145.10207	2.5
147.11670	2.9
149.09630	3.5
158.08156	15.8
161.11687	1.9
163.11174	3.0
164.07069	2.1
173.13205	1.9
177.11235	10.1
180.13837	4.9
199.14836	1.9
208.13312	2.3
221.13852	2.4
229.14279	3.9
267.15964	4.2
276.15866	3.4
283.17520	2.0
292.23526	2.8
294.17020	3.2
294.42410	1.9
299.29425	2.3
313.27466	9.9
329.93896	1.7
343.31961	1.7
370.50803	1.9
386.21661	2.8
402.50641	1.9
415.25671	2.3
439.35043	2.4
467.37390	5.9
505.38806	2.9
606.43561	4.0
624.35529	2.9
624.44751	41.2
625.46393	2.3
642.44647	14.9
643.24188	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	642.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
54.93849	1.8
55.01876	1.8
55.05519	7.8
55.94624	1.7
57.03416	1.3
57.56518	1.1
67.05515	20.6
69.03430	1.3
69.07076	6.4
70.41171	2.3
70.41592	3.9
71.04990	1.4
71.94114	2.0
74.87531	1.3
79.05505	15.5
81.03432	2.3
81.07065	17.8
83.08617	3.9
85.02934	1.4
91.05486	21.2
93.07054	15.8
95.04951	3.5
95.08614	12.2
97.06470	2.5
97.10137	2.5
99.08095	2.1
105.07046	19.6
106.28629	1.2
107.04970	2.1
107.08607	8.7
109.06513	2.8
109.10154	4.8
115.05614	1.3
117.07040	10.5
119.08598	15.3
121.06501	2.5
121.10157	6.5
125.09676	1.2
129.06989	5.2
131.08577	16.8
133.06458	1.7
133.10141	8.5
135.08078	2.1
135.11710	3.0
137.09718	1.4
141.06996	3.5
143.08575	6.3
145.06573	1.5
145.10132	9.9
147.08011	1.5
147.11697	4.7
149.09621	2.4
149.13272	1.6
151.11345	1.4
155.08589	5.3
157.10155	5.1
159.08174	1.2
159.11690	4.4
161.09692	1.5
161.13261	1.5
169.10136	3.6
171.11728	4.3
173.13232	1.7
176.00272	1.4
179.14304	1.4
181.10185	1.7
183.11716	3.0
185.13295	2.4
197.13258	3.1
247.17064	1.9
261.18533	1.8
275.20142	2.8
276.20328	2.0
283.11432	1.3
328.12466	3.0
329.12051	1.5
330.13904	21.1
331.13684	7.9
348.14844	11.1
349.14624	1.3
353.24753	5.0
361.38098	1.4
371.16537	4.5
371.25751	4.2
389.26828	6.8
445.29559	100.0
446.29797	4.9
463.30530	26.3
642.29266	4.3
642.43896	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	642.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01865	2.7
55.05518	12.5
55.93505	1.4
57.03441	2.0
59.04998	1.6
61.02910	3.5
63.27328	1.4
65.03945	1.8
67.05511	26.0
68.05825	1.5
69.03440	1.6
69.07068	8.5
69.35600	3.9
69.36009	8.0
71.04983	3.2
79.05496	21.4
81.03461	1.4
81.07059	28.9
83.04996	3.2
83.08613	6.6
85.02901	3.2
85.06559	1.8
91.05489	29.6
93.07048	23.0
95.04957	3.5
95.08617	17.6
97.02918	1.8
97.06541	5.6
97.10168	2.7
105.07035	25.0
107.04948	2.8
107.08599	14.1
109.06514	4.2
109.10167	6.3
115.05415	2.0
117.07021	10.1
119.08597	17.9
121.06512	3.3
121.10117	11.2
123.08084	2.0
123.11675	2.1
125.09604	2.5
128.06169	2.1
129.07019	10.1
131.08575	23.3
133.06512	3.6
133.10147	11.8
135.08040	4.0
135.11700	3.1
137.09581	1.5
141.06992	3.4
143.08560	8.4
145.10124	15.3
147.08098	1.5
147.11673	8.4
149.09634	3.8
149.13248	2.5
151.11227	2.2
155.08557	5.6
157.10150	5.0
159.08076	2.1
159.11697	5.6
161.09596	2.7
161.13246	1.8
163.11217	1.9
167.08588	2.1
169.10124	5.1
171.11734	3.8
173.13306	3.6
173.71930	1.4
181.10167	2.6
183.11757	4.0
185.13327	3.8
187.14809	3.1
195.11777	4.0
197.13281	2.8
209.13330	2.0
211.14894	2.1
246.86086	1.4
275.20041	6.0
276.20468	2.5
291.38977	1.6
312.03537	1.7
333.24155	1.7
343.26343	2.3
353.24802	3.5
371.25818	6.2
389.26886	6.3
409.43372	1.7
445.29520	100.0
446.29871	3.7
463.30582	34.2
624.43060	2.6
642.44385	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	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06345	3.4
53.03944	12.9
55.01879	17.1
55.05260	5.4
55.05509	68.1
57.03432	10.6
57.07073	10.1
57.64117	3.5
59.05015	6.4
65.03934	4.8
67.05507	96.1
69.03416	8.8
69.07067	54.0
70.81058	7.2
71.04995	5.1
71.08623	6.1
74.73319	4.1
79.05064	5.7
79.05495	87.9
81.03400	11.7
81.07062	79.5
83.04976	14.9
83.08619	32.9
85.06549	6.3
85.10155	4.0
91.05478	81.0
93.07047	76.4
95.04971	17.5
95.08603	62.7
97.02886	7.8
97.06516	13.0
97.10171	43.5
99.08143	4.0
105.07042	70.2
105.41780	3.9
107.04960	22.4
107.08595	50.2
109.06505	10.8
109.10151	35.1
111.04459	3.7
112.24500	3.2
115.05456	5.0
116.06236	4.7
116.07076	4.2
117.07028	39.4
119.08580	65.9
121.06510	6.4
121.10147	25.0
122.07307	3.4
123.11710	9.8
125.09649	32.2
128.06149	7.1
129.06995	23.6
130.07770	4.2
131.08589	45.7
133.06503	8.0
133.10120	45.9
135.08069	10.2
135.11684	22.0
137.09619	4.0
139.23009	3.6
141.06979	11.8
142.07806	5.6
143.08571	36.6
145.10121	41.6
147.08008	10.1
147.11705	31.2
149.09592	7.8
149.13243	13.7
153.06989	4.0
153.09071	6.6
155.08583	17.6
156.09311	4.2
157.10149	21.8
159.08037	4.8
159.11656	27.4
161.13197	23.8
163.11104	6.8
167.08580	7.9
168.09348	4.8
169.10121	16.8
171.10335	6.2
171.11624	21.7
173.13252	21.2
175.11180	6.4
175.14813	13.8
177.12750	6.5
181.10130	11.8
183.11710	20.2
185.13232	13.5
187.14824	8.3
189.11203	15.7
195.11728	13.9
197.13272	10.8
198.65033	3.3
199.14821	9.8
204.09300	4.6
209.13310	11.5
211.14848	7.7
213.16397	9.2
215.17894	4.6
217.19518	3.5
223.13271	11.7
223.15117	6.3
225.16316	5.2
227.12775	26.6
231.21170	4.5
235.16992	3.8
237.16414	5.5
239.17867	5.9
241.19498	23.8
257.18994	6.8
259.20596	39.0
273.18570	10.9
275.20050	10.5
289.18134	5.2
291.19534	100.0
315.23038	5.6
333.24222	27.8
351.82919	3.6
363.26788	6.0
365.23132	27.8
379.30026	7.8
392.20303	4.0
511.34045	6.8
513.36664	8.1
529.34998	5.2
531.37970	5.9
541.79694	4.3
543.36780	5.4
549.39087	6.5
605.41833	20.9
623.43060	78.1
641.33380	5.4
641.43933	46.0
647.53717	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	641.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.0
55.01876	16.7
55.05259	4.2
55.05513	44.8
57.03444	35.5
57.07080	3.8
59.05006	3.4
65.03939	8.8
65.17805	2.8
67.05510	100.0
68.49276	2.8
69.03426	5.9
69.07074	43.3
69.32774	26.4
70.27048	3.1
71.05001	21.0
71.08647	3.5
79.05501	84.9
81.03444	5.1
81.07060	99.2
83.04979	9.6
83.08621	24.9
83.57959	2.6
85.06547	9.0
91.05485	89.9
93.06469	5.6
93.07046	90.5
95.04990	20.2
95.08614	69.9
97.06547	26.0
97.10172	16.2
97.64272	3.1
98.21605	3.0
99.08105	14.5
103.05460	3.7
105.04493	3.5
105.07030	82.9
105.07676	5.7
107.04944	16.7
107.08601	59.0
109.06527	28.8
109.10156	31.0
111.08083	10.6
113.06010	11.5
115.05505	5.0
117.07036	33.6
119.08589	48.9
121.06486	6.1
121.10155	32.7
123.08080	8.7
123.11703	7.2
125.09647	12.9
127.07612	3.3
128.06236	8.8
129.07014	30.6
130.07782	3.0
131.08578	59.0
133.10130	49.0
135.08089	11.1
135.11720	17.8
137.09612	6.5
139.34689	2.9
141.07002	13.8
142.07761	6.1
143.08589	36.6
145.06456	4.1
145.10124	47.3
145.11148	4.4
147.08134	5.6
147.11691	21.3
149.09633	16.9
149.13269	5.1
151.11279	5.9
154.07832	5.0
155.08600	24.8
156.09335	3.7
157.10138	30.0
159.08076	6.3
159.11687	31.1
161.09630	9.3
161.13315	14.2
163.03963	3.0
163.11220	10.8
165.06975	2.9
166.07735	3.2
167.08601	12.5
168.09329	3.7
169.10170	26.3
171.11687	24.8
173.09660	7.8
173.11890	4.3
173.13289	17.2
175.11121	3.5
175.14885	5.3
177.12804	5.7
179.08597	8.2
179.14261	3.5
181.10106	15.0
183.11713	23.2
185.09732	3.5
185.11842	2.8
185.13239	19.4
187.11214	5.6
187.14902	8.7
189.11292	3.4
191.08705	3.9
193.10214	8.8
195.11746	23.9
195.13318	3.8
197.13280	20.5
199.11279	3.3
199.14877	7.8
201.12701	4.4
201.16389	6.2
201.43713	3.1
203.14308	6.6
205.10141	4.9
205.15854	4.3
207.11824	14.1
207.13510	3.3
209.13223	17.4
211.11217	3.6
211.14922	8.9
213.16426	4.4
217.15895	7.0
219.11758	4.8
219.17448	6.1
221.13246	9.0
223.14862	8.0
225.16400	6.6
227.12816	8.7
227.17975	3.7
233.13213	4.6
235.14844	5.9
237.16486	4.7
239.17993	6.3
241.19398	3.9
249.16495	5.4
251.17982	4.5
257.19049	12.3
259.14456	3.1
259.20496	4.8
271.20450	3.8
273.18576	13.9
275.20117	46.7
277.21692	4.4
280.93301	3.4
285.21741	2.9
289.18115	4.4
291.19568	10.5
293.21295	3.8
321.22238	3.5
331.22308	3.3
333.24161	3.8
347.22385	4.0
349.23785	21.2
351.25388	3.8
419.29147	3.8
459.32242	3.4
477.34198	4.6
497.32849	5.4
513.37231	5.3
527.36798	3.8
529.35217	4.4
531.38409	10.2
549.39117	10.0
551.37183	12.5
555.36719	4.8
567.40149	10.0
569.38501	17.0
595.43903	3.2
605.41656	11.3
623.43018	62.5
641.44189	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24587	2.1
53.03938	8.5
55.01873	19.9
55.05266	3.2
55.05516	58.2
57.03442	13.7
57.07068	6.3
59.04993	2.2
62.98169	1.9
63.72337	2.0
65.03937	5.0
67.05507	100.0
69.03419	12.2
69.06719	3.9
69.07071	47.6
71.05010	11.8
71.08637	3.0
77.03938	2.7
79.05495	78.5
79.05961	4.4
81.03409	8.9
81.07061	90.7
83.04994	9.9
83.08630	27.2
85.06544	3.1
85.10192	3.0
89.06045	3.8
91.05486	77.3
93.07045	70.5
95.04978	19.8
95.08610	51.4
97.02892	6.2
97.06535	16.8
97.09621	3.2
97.10178	35.8
98.21496	5.9
99.08089	4.5
103.05452	3.7
105.04525	2.5
105.07040	69.8
107.04964	10.9
107.08598	55.4
107.09302	4.5
109.06503	13.9
109.10164	30.1
111.04451	2.2
111.08097	7.5
115.05453	6.7
117.07026	39.5
118.23301	2.3
119.04935	2.0
119.08585	63.4
121.06517	5.8
121.10146	25.0
123.08059	9.0
123.11694	11.9
125.09635	29.4
128.06224	7.3
129.05528	2.6
129.07025	24.2
131.08575	43.5
133.06467	4.7
133.10135	44.8
135.08060	7.2
135.11696	17.1
137.09604	9.3
141.06990	10.3
142.07782	6.1
143.08572	26.0
145.06485	2.9
145.10126	36.4
147.08023	9.4
147.11690	34.6
149.09644	13.8
149.13255	10.8
151.11180	4.3
153.06995	3.5
153.09102	4.7
153.12766	2.4
154.07826	3.9
155.08574	16.9
157.10149	24.9
159.08051	5.1
159.11696	31.0
161.09653	6.5
161.13249	27.4
163.07565	2.8
163.11186	7.5
163.14793	2.9
165.07039	2.8
165.09093	3.0
166.07756	2.5
167.08560	8.6
169.10103	17.1
171.08076	2.2
171.10242	5.2
171.11684	21.0
173.09604	4.0
173.13246	18.8
175.11227	4.1
175.14845	12.4
177.12726	4.0
179.08527	2.5
181.10112	10.7
183.11674	15.8
185.09639	2.7
185.13260	18.5
187.14809	9.3
189.11224	15.1
189.12770	4.4
189.16246	2.6
191.10730	2.5
193.10135	4.1
195.11758	10.0
197.13287	10.4
199.14803	8.5
201.16374	3.9
205.15834	2.8
206.37419	2.1
207.11664	4.8
209.13202	8.3
211.11050	2.8
211.14821	7.2
213.16418	5.3
215.14349	4.1
215.17987	5.2
217.15837	3.4
221.13298	2.5
223.13130	12.3
223.15155	3.2
225.16505	3.3
227.12743	32.3
227.17934	4.4
229.15897	3.1
229.77376	3.5
231.21159	3.3
233.13213	2.6
233.15361	3.4
237.16370	5.1
239.17973	6.0
239.69772	2.1
241.19519	21.0
251.17940	2.6
257.18967	5.3
259.20560	36.5
271.17349	2.2
273.18414	14.8
275.20157	19.2
277.21677	4.4
285.22061	2.6
289.18100	6.8
291.19543	84.3
292.19574	3.7
293.21097	3.1
297.21988	3.7
303.23138	2.6
313.21786	2.4
315.23380	6.4
321.21979	2.9
333.24265	34.4
349.23694	8.1
357.23969	2.6
363.26889	6.2
365.18964	3.2
365.23248	25.6
379.30093	7.7
381.27768	4.2
397.31033	6.2
419.29602	3.7
437.29663	2.4
477.22937	3.4
511.34280	6.2
513.37219	4.2
525.36145	2.9
529.35138	7.4
531.38287	7.0
543.36511	7.1
547.27393	3.0
549.25031	4.4
549.39154	7.8
550.25452	2.8
560.08221	2.5
591.25189	2.9
595.43085	3.8
597.41357	2.4
605.27704	3.7
605.42194	14.8
623.28674	15.6
623.43079	88.2
623.53235	4.8
624.28632	3.3
624.43604	5.0
641.28149	4.0
641.44141	53.6
642.44812	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	641.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43278	1.0
51.99086	0.9
52.13023	1.0
53.03934	1.6
55.01874	3.3
55.05515	8.1
57.03434	3.3
57.07072	1.4
65.03960	1.4
67.05515	15.4
69.07064	6.6
70.18195	3.3
71.05002	2.1
71.08616	1.3
78.91276	1.0
79.05141	1.0
79.05509	12.4
81.07066	15.8
83.04964	2.1
83.08617	2.1
91.05494	13.3
93.07056	12.7
95.04955	2.4
95.08613	9.9
97.06556	5.9
97.10159	2.6
100.59858	0.9
105.07037	12.3
107.04946	2.2
107.08596	8.9
109.06514	3.0
109.10172	5.5
113.05989	1.2
114.61217	1.0
115.05454	2.0
117.07020	4.5
119.08604	8.7
121.10139	3.3
122.09782	1.2
123.08080	2.3
123.11755	1.5
128.55392	1.0
129.07007	3.7
131.08574	6.7
133.10147	6.8
135.08086	2.7
135.11710	2.8
137.09628	1.5
141.06953	1.1
143.08577	2.7
145.10110	6.1
147.11671	3.7
149.09579	2.6
149.13208	1.3
151.11147	1.8
155.08563	1.8
157.10184	3.5
159.11703	4.2
161.09576	1.2
161.13232	2.2
162.24857	1.2
163.11198	1.7
165.12805	1.3
169.10185	2.7
171.11717	2.4
179.14314	1.1
183.11749	1.9
185.10744	2.4
185.13263	2.5
195.11864	1.2
209.10693	1.6
210.11456	1.7
211.12357	1.2
211.14958	1.1
217.16139	1.2
219.17467	1.2
221.10727	1.6
222.11320	1.1
223.12260	1.8
224.13104	2.9
225.13873	4.6
225.16022	1.0
230.42809	1.0
237.13881	2.6
239.11926	2.4
239.15482	3.4
251.15453	1.7
257.19089	2.6
273.18475	1.1
275.20126	10.9
276.14981	1.4
287.15323	1.7
288.14923	1.1
290.16507	1.7
291.19565	2.0
292.18185	2.2
304.14697	1.6
304.18109	2.1
305.18805	1.2
312.14838	1.1
318.16074	1.4
319.16641	2.3
331.18097	1.6
332.17545	2.7
342.16260	1.2
344.17755	1.5
345.18301	1.5
349.23737	3.4
354.12122	1.7
360.20639	1.2
365.23044	1.3
369.14697	1.2
379.19308	1.3
384.17026	2.3
391.18982	1.1
392.19943	2.9
393.20712	2.3
404.20190	1.7
405.20895	2.1
406.21591	6.5
407.21976	6.6
412.16476	3.0
417.21106	2.2
418.21606	1.1
419.22150	2.6
420.23215	2.0
421.23914	10.1
422.24384	11.8
426.17941	2.3
431.23004	1.4
433.23914	3.0
434.18051	2.0
434.24344	9.0
444.18777	5.3
445.24344	1.4
447.17719	1.9
458.20703	1.6
460.22583	1.4
461.19165	1.8
462.20505	3.2
463.21298	11.7
473.23715	1.3
475.21295	4.1
476.20029	2.6
477.23303	5.9
487.24628	3.5
489.22452	1.5
491.24149	3.4
494.26706	3.6
495.16736	4.8
495.27628	2.7
505.27008	1.5
508.22253	3.2
517.22217	1.7
520.20538	1.5
533.21527	1.4
535.23688	1.2
543.36682	1.7
545.25366	10.0
547.27228	11.1
548.25140	1.8
549.25018	19.9
550.25726	7.0
561.21295	2.4
563.26794	7.7
565.27209	1.2
591.26099	50.7
592.26093	1.9
605.27661	9.4
605.41858	2.2
609.27203	19.3
623.28717	100.0
623.43066	6.6
624.28864	2.7
626.26825	1.4
641.29596	16.0
641.44067	7.4
642.23401	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	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.4
56.41848	6.2
57.03424	22.0
57.07080	38.7
67.05514	40.1
67.95941	6.0
69.07053	26.3
71.00778	10.6
71.08613	25.8
74.90925	5.6
79.05508	33.2
81.07060	49.8
83.08630	17.4
85.10174	13.1
85.95959	5.4
91.05495	47.5
93.07050	36.5
95.08607	46.5
97.10165	10.8
98.21200	8.2
100.02579	5.7
105.07032	43.3
107.08557	18.3
109.06503	6.6
109.10157	18.4
117.07050	16.1
119.08554	40.4
123.11726	7.2
125.09583	7.5
129.06993	11.5
131.08565	23.4
133.10117	13.7
135.11652	6.2
143.08537	10.2
145.10127	23.4
147.11671	13.2
157.10170	17.8
159.11697	23.0
161.13217	10.0
173.13329	12.6
185.13261	27.7
203.14337	9.4
219.17456	9.5
239.17793	9.5
244.84866	6.9
257.18970	35.0
275.20078	49.0
290.98935	6.3
313.27420	100.0
331.22531	11.7
349.23828	36.3
372.87167	6.2
392.58847	6.9
524.44116	6.8
587.46600	36.5
640.47852	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	641.297
Annotation	Crooksiine
Peak:m/z	Relative Intensity
50.72332	0.2
51.51915	0.2
55.05511	0.7
59.32382	0.2
60.68997	0.2
67.05505	1.0
69.07086	0.5
70.06577	0.3
70.10269	0.9
79.05521	1.2
81.07079	1.2
81.67050	0.3
83.08640	0.4
91.05488	0.8
93.07056	0.9
95.04968	0.2
95.08605	0.7
97.06551	0.3
97.10134	0.3
105.07048	1.0
107.08602	0.9
109.10156	0.6
117.06997	0.3
119.08581	0.6
121.10165	0.5
125.09675	0.3
129.07007	0.3
131.08585	0.7
133.10149	0.4
135.11714	0.5
143.08553	0.2
145.10124	0.6
147.11758	0.4
149.09669	0.3
157.10178	0.4
159.11720	0.4
171.11765	0.3
192.31468	0.2
197.10760	0.3
237.10335	0.3
248.05031	0.3
275.20148	1.0
310.46146	0.2
314.12943	0.3
328.14740	0.3
349.23465	0.5
377.17776	0.8
379.19287	0.9
380.19971	0.3
390.18445	0.3
391.15494	0.3
391.19354	2.0
392.19998	1.0
393.20871	2.1
394.21375	0.4
395.22403	0.4
401.17825	0.3
402.17963	0.3
405.16656	2.6
405.21674	0.4
406.17914	1.0
406.22333	0.4
407.18555	0.6
407.22714	3.8
408.23169	0.7
418.17932	0.8
419.18332	3.2
420.19196	2.1
421.15341	0.3
421.20288	5.2
422.20590	0.4
423.22058	0.9
432.19531	0.4
433.15836	0.3
433.20410	5.2
434.21387	3.5
435.22073	7.0
436.23108	1.2
447.22363	1.6
448.18207	0.4
448.23187	0.5
449.19650	8.8
453.23569	0.3
460.19449	0.3
461.24078	0.4
462.20178	0.5
463.21036	3.4
464.22192	2.1
465.19052	0.8
466.23993	0.4
467.24435	0.8
468.25528	0.3
475.21310	0.4
476.22226	0.6
477.23007	0.9
479.19772	1.1
480.21231	0.3
481.22235	2.2
489.23001	0.4
491.24585	0.5
493.21960	2.4
494.23029	3.8
495.23804	3.6
496.24689	0.3
507.24133	2.0
508.25021	0.3
509.25827	0.4
521.25775	9.8
522.26184	1.0
523.27545	1.1
526.26086	0.4
535.24255	0.4
539.22394	1.3
549.24884	0.7
551.26086	0.4
553.27875	0.7
563.26666	1.2
565.24805	0.3
581.27692	19.7
582.28052	1.1
594.28143	0.2
595.25189	0.3
609.27002	0.9
623.43335	0.3
641.29730	100.0
642.29865	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	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	22.4
55.05732	4.2
57.02480	3.8
57.03430	14.8
57.07082	46.5
67.05509	58.4
69.03413	5.3
69.07070	34.6
71.08635	35.6
79.05496	37.5
81.07063	64.8
83.04974	7.0
83.08617	17.2
85.06536	5.4
85.10178	18.2
86.66750	3.9
89.06036	7.5
91.05490	33.4
93.07060	41.8
95.04959	8.4
95.08624	40.6
97.06550	6.0
97.10171	14.0
105.07066	26.1
107.08610	22.2
107.09869	4.5
109.06508	5.4
109.10195	22.3
111.08080	4.5
117.07031	16.9
119.08611	25.6
121.10156	8.6
123.11736	6.6
131.08537	13.1
133.10132	18.4
135.11673	7.3
137.09634	7.2
145.10152	14.2
147.11725	6.4
149.13252	9.0
151.98616	5.2
157.10303	5.0
159.11707	8.3
195.13794	5.4
239.23674	5.8
255.15862	11.8
257.19058	11.2
269.17438	14.2
275.20074	30.6
313.27448	74.3
349.23642	19.6
364.06802	4.8
367.24802	6.6
467.37119	5.1
493.38821	14.8
507.40479	100.0
543.22156	4.8
587.46289	8.7
660.64087	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	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97494	2.0
55.01875	3.3
55.05515	27.4
57.03437	6.5
57.07084	18.0
67.05513	22.7
69.03452	2.3
69.07068	8.3
70.06597	4.7
71.08646	12.9
71.56682	2.9
79.05497	19.6
81.07053	24.5
83.04980	3.6
83.08629	14.2
85.10178	5.3
89.06029	2.5
91.05476	11.1
93.07059	11.0
95.08621	13.1
97.10169	26.9
105.07022	12.8
105.80613	2.4
107.07972	2.9
107.08612	30.4
109.10165	11.8
111.08163	2.5
116.77654	2.1
119.08605	6.3
121.10172	2.5
123.11728	3.4
125.09650	24.0
126.09657	2.3
131.08482	3.0
133.10103	5.8
135.08034	4.8
145.10159	6.3
147.11699	4.4
159.11699	3.1
189.11205	15.0
198.82874	2.2
227.10521	5.3
227.12784	100.0
239.18121	2.9
252.15718	3.1
257.19077	5.6
275.20108	24.3
305.42114	2.5
313.27386	39.1
331.22766	3.5
349.23749	27.1
390.84457	2.4
483.36725	10.4
582.43561	5.2
587.46741	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.3
55.05516	5.5
57.03453	1.3
57.07087	0.9
59.05007	1.0
59.08004	0.4
61.02934	1.4
65.03934	0.7
67.05505	4.5
69.03438	5.1
69.07075	20.4
69.32162	3.3
69.32578	0.9
70.06605	2.9
72.08172	1.1
73.02927	0.7
79.05502	3.1
81.03423	4.6
81.07072	8.7
81.07529	0.7
82.07397	0.6
83.04990	1.2
83.08633	2.4
84.04546	0.5
84.08157	1.1
85.02915	6.9
85.06548	1.0
86.09735	1.3
87.04483	0.5
89.03957	0.4
91.03983	0.5
91.05485	3.0
92.89117	0.4
93.07054	5.4
95.01365	0.4
95.04990	1.3
95.08615	5.4
97.02889	5.3
97.06560	2.2
97.10201	1.0
99.00845	3.4
99.04472	2.1
105.07071	2.6
107.04980	1.1
107.08621	4.6
109.02890	1.5
109.06553	0.9
109.10173	5.3
111.04436	0.5
111.08099	0.8
111.11768	1.6
113.02421	0.9
119.08585	2.4
121.06569	1.2
121.10184	4.0
123.04418	0.5
123.08095	0.7
123.11732	1.4
125.05990	0.7
125.09672	0.8
127.03947	2.1
131.08607	1.7
133.06532	0.5
133.10165	1.8
135.04457	0.8
135.08107	0.8
135.11742	2.4
137.06018	1.2
137.09677	0.6
137.13284	1.0
143.08614	0.8
145.02849	0.4
145.04968	0.5
145.10181	1.2
147.04416	1.0
147.08115	0.6
147.11748	0.6
149.06006	0.7
149.09685	1.1
149.13313	1.9
151.07608	1.6
151.11172	0.4
153.05449	2.1
153.97527	0.4
155.07088	1.0
157.10124	0.7
157.38303	0.4
159.08093	0.5
159.11710	0.8
161.09679	0.5
161.13330	0.4
163.03940	2.3
163.07562	1.3
163.11217	0.5
163.14728	0.4
165.09184	1.2
167.07059	0.9
171.08067	0.5
175.07602	1.7
175.11238	0.7
177.05579	1.5
177.09225	0.9
177.16460	0.6
179.10777	0.7
181.04967	5.1
183.06587	1.9
187.03923	0.5
187.11356	0.5
189.09190	1.2
191.07051	0.9
191.10683	0.7
193.12289	1.8
195.06558	12.8
195.08237	0.8
197.09531	0.5
203.10765	0.6
205.08781	0.8
205.12241	0.6
207.06613	1.0
207.13826	0.5
209.06241	0.9
209.08102	7.4
221.08109	0.7
223.09683	8.3
223.11639	0.6
235.09738	1.0
237.11241	7.3
244.90439	0.4
245.15250	0.4
249.11330	1.5
251.12790	3.7
263.12903	0.7
265.14331	1.7
267.16251	0.5
293.17477	3.2
305.17551	1.5
307.19040	0.5
316.72638	0.5
319.19138	0.7
319.26248	0.6
320.26694	1.1
321.20709	3.3
338.27884	1.2
348.25485	0.6
355.15451	0.7
356.28384	0.5
389.23941	0.5
415.31860	0.4
436.30704	0.4
441.30026	0.8
459.31302	6.0
477.32184	100.0
478.32553	3.3
601.77289	0.4
621.31238	0.7
639.37866	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	639.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01878	1.2
55.05515	16.7
57.03436	1.1
57.07074	0.9
58.85194	0.7
65.03934	1.1
67.05510	8.5
69.03447	3.7
69.07078	10.1
70.06604	2.2
71.05008	0.9
71.55800	0.8
72.08151	2.6
77.56924	0.7
77.70763	0.6
79.05505	4.1
81.03416	2.1
81.07062	8.7
83.01339	1.6
83.04986	1.7
83.08640	1.8
84.08172	0.6
85.02914	2.8
91.05476	4.3
93.07040	5.5
94.25408	0.6
95.01353	1.8
95.04984	2.7
95.08620	7.8
97.02887	3.3
97.06555	2.1
97.10176	14.5
99.00814	7.1
99.04464	4.1
103.05508	0.9
105.07028	5.9
107.04987	1.1
107.08596	4.4
109.02896	2.3
109.06537	2.4
109.10167	10.9
111.08125	0.6
111.11733	1.0
113.02367	1.8
115.05551	1.1
117.01897	1.7
117.03427	0.7
117.07080	1.6
119.05020	1.0
119.08575	4.6
121.06501	1.1
121.10165	3.3
123.04430	1.7
123.08102	1.8
123.11720	2.8
125.06024	1.1
125.09647	2.6
127.03906	1.5
128.06224	0.7
131.08595	2.0
133.06473	1.2
133.10147	3.4
135.04449	3.4
135.08093	1.1
135.11713	1.1
137.06015	3.4
137.09631	2.0
139.03874	0.7
139.07559	1.0
139.11198	2.4
143.08632	1.3
143.10643	0.8
145.06419	0.7
145.10156	2.3
147.04443	2.1
147.08049	1.0
147.11703	2.0
149.02377	2.5
149.06038	1.4
149.09621	1.3
149.13173	0.8
151.07512	3.2
153.05470	4.5
153.12730	0.7
154.05936	0.8
154.88463	0.7
155.07069	2.4
157.06596	0.9
157.10165	1.1
157.12250	1.1
159.07999	0.7
159.11742	1.5
161.06032	2.6
161.09636	0.9
161.13277	0.7
163.03940	4.1
163.07571	3.2
163.11295	1.0
165.00110	0.7
165.05504	0.6
165.09187	2.1
167.07104	1.4
169.05107	0.9
169.10124	0.8
171.08099	0.9
171.11728	1.1
175.07611	3.5
175.11252	0.9
175.14908	0.9
177.05569	3.3
177.09186	1.7
179.10625	0.9
181.04987	9.8
181.06502	0.9
183.06546	5.2
185.02730	4.0
185.13264	0.8
186.03029	1.5
189.09109	7.3
189.16447	0.8
190.09454	0.8
191.07069	1.5
191.10667	1.3
193.08617	0.7
193.12245	0.9
195.06552	22.6
197.02716	0.9
198.03040	0.9
201.09196	0.7
203.07141	0.7
203.10718	1.9
205.08614	1.3
207.06650	2.6
207.10184	0.8
209.08096	11.0
211.04314	1.9
212.04633	0.7
215.10811	1.6
219.10184	1.0
221.08128	5.1
223.09654	12.9
229.12286	0.9
235.09755	2.7
237.11240	6.1
241.82274	0.6
243.13773	0.7
245.15416	0.8
249.11253	5.6
251.12859	1.5
259.09753	0.8
259.16904	0.9
261.11282	0.8
263.12851	1.8
277.10941	0.7
289.14267	0.9
291.16016	3.3
303.15845	1.6
305.17508	10.9
307.19070	4.4
315.16025	3.0
317.17462	1.0
319.18961	4.6
332.06955	0.7
333.16956	5.0
334.08002	0.7
339.12146	0.8
355.76547	0.7
387.12640	1.4
388.13098	2.7
420.10944	1.0
421.11649	2.7
443.28168	1.1
453.26154	1.1
471.27545	2.4
477.17819	1.9
489.28497	18.7
507.29654	2.6
583.17133	1.7
621.29236	6.8
639.30139	100.0
640.30353	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	639.2814
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
51.46998	1.1
51.99453	0.8
53.99704	0.9
55.05508	2.6
55.06921	0.9
67.05500	4.6
69.07059	1.8
69.52598	2.2
69.53008	5.6
77.12885	0.9
79.05479	3.6
81.03407	1.7
81.07070	3.9
83.08612	1.7
91.05493	4.6
93.07052	4.3
95.04967	2.6
95.08628	2.6
97.06527	1.3
103.05453	1.2
105.07043	4.5
107.07374	1.5
107.08610	2.6
108.08180	1.1
117.07032	1.4
119.08606	2.1
120.04484	1.9
120.08106	8.3
121.10144	1.6
122.09676	2.0
131.08588	2.0
131.28484	1.2
133.10136	1.6
135.07999	1.3
136.07599	1.3
144.04482	2.2
145.10155	2.2
146.06055	2.0
148.07593	2.8
150.09149	2.2
171.11623	1.2
172.03925	7.3
173.13393	1.1
183.09091	1.2
187.08759	1.3
193.12094	1.1
204.06567	9.3
204.07889	0.9
211.08751	2.5
221.10756	1.2
225.10300	3.2
227.11884	5.5
234.08943	1.1
235.08685	1.8
236.09528	2.0
237.10422	3.3
237.16379	1.3
249.06641	1.2
249.10213	4.8
250.11021	1.2
251.08260	1.8
251.11800	4.1
253.09937	1.8
253.13370	2.5
261.10471	1.4
265.09885	1.3
275.20233	1.7
277.09839	1.8
279.11340	4.1
281.12903	1.5
285.12415	2.5
297.12482	1.2
300.14868	1.1
305.09305	1.5
307.10861	2.0
311.14014	2.1
312.11823	1.4
314.13068	4.1
315.13940	1.8
325.12073	1.9
326.13043	2.3
328.11020	1.1
328.14563	3.8
330.12863	1.1
335.97284	1.1
339.13699	4.0
340.11041	1.4
340.14734	2.2
341.11566	1.1
341.15625	1.7
342.12436	7.5
342.16226	3.1
343.13239	1.1
354.12366	2.5
355.13156	1.9
356.14029	4.8
356.17783	1.8
357.14542	2.5
358.15601	2.7
367.13657	2.0
368.14166	3.4
369.14615	2.1
370.15610	5.7
382.15833	2.2
383.16391	2.6
384.17215	4.0
385.17865	1.7
391.15790	1.6
397.13983	1.9
398.14963	1.6
410.15073	2.0
412.16650	2.9
419.14749	2.0
420.15472	1.5
421.20554	1.5
426.18213	4.6
429.16678	1.5
430.17358	1.6
433.16650	2.1
435.18170	2.2
442.17700	1.6
444.19339	12.3
445.19327	1.4
447.18552	2.3
449.19852	5.3
463.21878	2.3
464.22659	1.4
470.17136	3.8
477.23666	2.0
489.19727	1.4
502.19748	1.9
504.21481	1.4
533.26917	1.2
547.23383	1.9
551.26617	16.5
561.24927	1.3
579.26312	16.4
589.24237	2.4
607.25574	12.9
611.28638	74.5
612.29065	2.6
621.27173	2.9
621.42328	1.4
639.28125	100.0
640.28571	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	639.2818
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
55.01878	1.4
55.05505	2.4
57.03433	2.6
61.22661	1.4
67.05508	3.7
69.03423	1.7
69.07070	2.5
71.56402	1.7
79.05502	4.7
81.03400	1.5
81.07082	6.6
83.04967	1.4
83.08642	2.0
88.41193	1.3
91.05497	5.9
93.07051	4.3
95.04952	1.7
95.08638	1.9
105.07040	3.6
105.66836	1.5
107.05003	1.3
107.07359	1.3
107.08602	3.0
108.08059	1.6
108.35464	1.2
108.72689	1.2
109.06554	1.3
117.07069	1.2
117.26988	1.4
118.06543	1.9
119.08611	3.8
120.04501	2.1
120.08094	7.8
121.10194	2.0
122.09673	2.5
129.07002	1.7
131.08618	2.2
131.69501	1.3
133.10146	2.1
143.08620	1.4
144.04498	1.3
145.10211	2.7
146.06052	2.3
147.11736	1.9
148.07599	1.5
150.09230	1.8
157.10176	1.7
162.05487	1.8
169.10135	1.7
172.03984	7.7
187.08688	1.6
195.11905	1.2
197.10851	2.0
204.06551	12.3
210.11591	1.6
211.08630	2.5
221.10706	1.5
223.08786	1.6
223.12408	2.0
225.10248	4.0
227.11862	3.1
233.55463	1.3
235.08759	2.6
236.09511	3.1
237.10426	3.3
239.11877	1.7
248.09596	1.4
249.10382	4.6
250.11047	1.6
251.11874	3.1
253.09789	2.2
253.13501	3.2
261.68164	1.4
263.11758	2.1
265.09808	2.9
273.18628	1.7
275.20114	2.1
277.09805	2.1
279.11337	2.3
281.13043	2.6
285.12433	3.4
301.15579	2.1
307.10916	1.9
314.13031	4.1
325.12003	1.7
326.12988	2.5
327.13800	2.5
328.14645	3.3
330.16129	1.7
339.13696	4.6
340.10709	1.9
340.14594	3.5
341.15369	2.5
342.12411	6.1
342.16235	4.9
343.13477	2.4
354.12512	1.7
354.16367	1.7
355.13361	3.4
356.14087	5.2
356.17908	2.1
357.14691	3.6
367.13330	1.9
368.14111	4.3
369.15219	1.6
370.15689	7.5
382.15640	1.7
383.16385	2.7
384.17514	3.9
396.13449	2.0
398.14761	1.9
410.15222	2.9
412.16687	3.6
414.18304	1.7
417.16885	1.9
419.15079	1.8
426.18311	5.1
430.17429	2.7
433.16678	2.5
435.18152	2.3
442.17972	3.0
444.19342	10.7
449.20068	6.5
464.22229	2.5
470.17532	3.2
477.18784	1.8
477.23975	1.6
492.21729	2.3
502.19608	2.4
506.62973	1.5
529.22699	2.7
535.24274	1.8
550.98706	1.5
551.26544	19.4
561.25470	1.8
579.26086	17.3
580.26416	1.7
589.24524	3.1
597.27557	2.0
607.25446	13.5
608.71918	1.6
611.28711	69.0
612.29065	2.4
621.27136	3.6
639.28204	100.0
639.40369	4.1
640.28601	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	639.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
57.07087	1.0
59.04990	0.9
67.05501	2.6
67.49687	0.6
69.07069	0.9
71.08635	0.7
71.33764	0.7
81.03409	1.3
81.07066	2.1
89.05154	0.6
91.05473	0.8
95.08611	1.2
105.07038	0.8
109.10168	2.0
115.19280	0.6
119.08573	0.9
197.05344	0.6
198.15312	0.7
198.87608	0.6
201.27991	0.7
214.22672	0.6
259.76834	0.7
264.64227	0.6
294.03986	0.6
338.16998	0.7
377.17780	1.5
378.20096	0.7
389.18454	0.9
390.18506	1.4
391.19229	3.2
392.20230	0.9
399.16266	0.7
404.20581	1.3
405.20789	10.8
406.21481	3.3
419.22495	2.3
420.23260	4.1
421.23904	4.5
433.19489	3.1
434.24634	1.2
435.18338	1.7
436.19260	1.8
446.21478	0.8
447.21475	1.3
449.19730	1.8
450.20648	2.3
451.21442	1.9
452.22290	3.5
460.22598	1.3
461.23532	1.0
463.21683	1.2
464.22064	0.9
465.22873	32.0
466.23398	0.8
473.19592	1.0
477.18729	0.9
477.26251	2.4
478.24039	1.5
479.24472	6.4
480.25287	2.9
487.21500	1.4
488.21964	2.6
491.20419	1.3
492.21497	3.0
493.26105	4.6
501.22720	1.4
503.24466	23.1
504.24979	1.1
519.24304	1.1
521.25519	14.9
537.25067	7.2
547.23706	2.1
565.24426	45.1
566.24792	2.3
579.26184	0.9
580.26880	16.3
607.25439	14.7
621.26996	1.6
639.28137	100.0
640.28619	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05518	0.7
67.19581	0.8
69.07046	1.1
70.96705	1.7
81.07038	1.3
93.07040	1.1
95.08607	1.4
100.42362	0.6
105.07042	1.2
119.08665	0.8
145.10164	0.8
189.61752	0.6
190.31990	0.6
237.13893	0.6
266.41452	0.6
292.28024	0.7
326.16550	1.0
363.16116	0.7
375.16144	0.8
377.17767	2.1
378.19077	1.4
380.20715	0.7
389.18021	1.7
390.18536	1.9
391.19168	6.0
392.19995	3.3
393.20560	0.8
403.19336	1.5
404.19971	2.8
405.20795	12.1
406.21652	5.9
407.22354	12.7
417.21292	1.0
418.21881	0.9
419.22519	5.5
420.23267	4.0
421.23920	18.7
421.82483	0.8
422.17123	0.8
422.24585	3.7
431.22760	1.3
432.23950	1.0
433.24393	3.3
434.24698	1.9
435.18396	2.6
435.25531	1.4
436.19052	3.4
445.20441	1.6
447.21216	1.2
449.19833	1.8
449.27243	0.8
450.20828	2.3
451.21313	14.8
452.21964	5.1
459.22308	1.1
460.22812	1.5
461.23364	2.5
463.21304	2.4
464.22076	1.5
465.22900	18.4
466.23517	2.5
473.19858	1.7
475.21420	2.7
476.22260	0.9
477.23175	1.9
478.23730	2.2
479.24738	1.5
487.21127	3.1
488.21945	1.9
489.22818	0.9
491.20862	2.2
492.25772	1.3
493.25919	2.6
501.22964	3.2
502.23230	1.1
503.24472	14.9
504.24866	1.2
507.27512	12.4
508.28314	3.3
519.24048	1.3
520.23999	0.8
523.23254	4.0
533.25488	1.9
535.27106	16.8
536.27618	1.9
537.25031	11.9
551.26489	6.4
552.27301	26.0
552.35870	1.2
553.27191	1.1
561.25214	5.2
562.25281	1.5
579.25903	10.3
580.26984	4.1
593.27643	1.6
595.29205	8.3
621.27094	21.9
639.28143	100.0
640.28088	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	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
50.54616	0.4
55.05524	0.9
57.07080	0.8
67.05507	1.7
69.07062	1.0
71.08644	0.5
77.84750	0.4
79.05503	1.8
81.03417	0.5
81.07060	1.9
89.06016	0.7
91.05486	1.8
93.07053	1.2
95.04971	0.5
95.08604	1.1
100.69599	0.5
104.14433	0.4
105.07037	1.5
107.08627	1.2
108.08141	0.4
109.10170	0.6
116.00161	0.4
119.08576	1.1
121.10158	0.4
123.63667	0.4
129.07021	0.5
131.08556	0.9
133.08607	0.7
133.10150	1.1
134.25311	0.4
134.35619	0.3
143.08577	0.5
145.10173	0.7
147.11736	0.6
213.92673	0.4
222.11234	0.4
225.10069	0.4
275.20108	0.6
291.19525	0.5
370.73016	0.4
377.17804	1.0
379.19247	0.7
390.18268	0.5
391.19327	1.6
392.20111	0.7
393.20755	1.2
403.19818	0.6
404.20322	0.8
405.17072	1.4
405.21005	1.3
406.17371	0.7
406.22089	0.7
407.19034	0.6
407.22736	3.6
408.22778	0.7
418.17883	1.3
419.18170	3.8
420.19336	2.2
421.20334	3.3
422.21335	0.6
423.21741	0.7
431.18521	1.1
432.19601	0.6
433.20297	11.6
434.21243	4.0
435.17361	0.4
435.21964	6.5
436.22653	0.8
446.21048	0.7
447.17206	0.5
447.22015	1.5
449.19608	5.6
450.20419	0.6
461.19376	1.0
461.24097	0.5
463.21912	2.0
464.22141	1.7
465.22937	1.4
473.24014	0.9
475.21527	0.6
477.19345	0.6
478.20129	0.5
479.20828	1.4
491.20685	1.6
492.21411	4.6
493.22144	5.2
494.22769	0.5
501.22818	0.5
503.24283	0.7
505.22305	3.1
507.23907	2.4
519.23846	1.3
520.24799	1.1
521.25696	8.3
523.27393	0.8
531.23450	0.8
533.22278	0.6
535.23090	0.6
537.21539	1.2
551.26489	0.9
565.24829	1.3
575.22992	1.7
579.26105	17.7
580.26514	2.4
581.28058	2.0
597.26880	0.7
607.25494	7.0
611.28644	0.5
639.28143	100.0
640.28741	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	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05506	0.8
57.03442	0.5
65.52965	0.2
67.05508	1.3
69.07083	0.5
69.70130	1.2
69.70551	0.7
70.06573	0.3
79.05499	1.0
81.07056	1.4
83.08634	0.3
91.05505	1.0
93.07060	0.8
95.04974	0.5
95.08620	0.7
97.06552	0.3
98.21511	0.4
105.07040	1.1
107.08587	0.6
109.06511	0.5
117.07031	0.7
118.47124	0.3
119.08629	1.0
129.06975	0.3
129.50447	0.3
131.08568	0.4
133.10112	0.5
135.08025	0.4
139.07660	0.3
145.10153	0.6
197.10822	0.3
217.11919	0.3
225.10330	0.5
227.11789	0.5
239.11861	0.6
241.13396	0.5
241.86070	0.3
251.11813	0.5
263.08060	0.3
263.11780	0.4
275.20074	0.5
291.19571	0.9
314.13104	0.6
328.14508	0.4
340.14645	0.4
342.16147	0.4
354.12579	0.4
375.16309	0.3
391.15247	0.5
392.16080	0.4
393.17056	1.0
393.21341	0.5
404.15961	0.4
405.17340	0.9
406.17941	1.0
407.18796	1.8
408.19336	0.6
417.16949	0.4
419.19263	1.5
420.15396	0.7
420.20050	0.6
421.20517	5.3
422.21371	1.8
423.21637	0.7
431.19278	0.7
432.19540	0.5
433.15817	0.6
433.20493	1.3
434.17117	1.1
434.21774	0.9
435.18201	2.3
435.22931	0.8
436.23068	2.0
437.23730	0.4
447.21991	1.2
448.18546	2.0
449.19641	8.3
450.20349	2.8
451.21356	0.5
459.18393	1.4
460.18857	0.5
461.19846	1.0
462.20978	0.7
463.21631	6.0
464.22186	5.2
465.22922	1.4
473.19461	0.4
474.20490	1.2
475.21667	1.6
476.18729	0.7
477.18692	5.4
478.19824	2.0
479.21039	1.0
491.20938	1.4
492.21048	1.6
493.22147	0.9
495.24234	0.7
503.21103	0.4
504.22296	0.4
505.22217	1.0
507.23578	0.5
509.21167	0.4
519.22150	0.3
521.21838	0.7
523.23425	1.5
533.21576	0.7
535.23535	3.5
536.23846	1.5
537.20612	1.8
547.23663	0.7
549.21704	0.7
550.25635	1.5
551.26495	2.7
561.25031	3.3
563.22784	0.5
564.23724	4.0
565.24640	2.5
567.25946	0.7
579.26074	6.8
580.26196	0.6
581.24469	0.8
595.25671	2.4
596.26300	1.2
597.26947	0.6
606.26093	0.3
607.25476	1.0
609.23755	0.4
610.28009	0.9
611.28448	1.0
621.27167	4.8
622.26605	0.5
624.25726	5.1
639.28125	100.0
640.28369	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12365	1.3
56.03543	1.2
71.56582	2.2
77.21235	1.2
98.44437	1.5
120.08112	3.0
137.58922	1.3
148.07515	1.3
158.08366	1.2
172.11536	1.4
195.09120	2.4
204.06627	1.6
209.10738	2.0
210.11491	1.8
211.12347	3.3
212.13033	1.6
221.10745	2.1
223.08603	2.1
223.12352	3.5
224.13077	4.1
225.13857	3.8
226.14557	1.7
227.08072	2.3
227.11775	2.6
237.10214	2.9
237.13811	2.4
239.11742	1.6
239.15407	2.9
249.10085	2.1
251.11707	1.9
252.12482	2.8
253.09709	1.4
253.13472	4.2
265.09778	3.0
265.13263	2.1
267.14957	3.1
325.11810	1.7
328.14157	2.0
342.16302	1.5
343.12842	1.8
354.12128	1.8
356.14053	2.0
375.16736	1.8
377.17557	1.5
401.17578	2.2
403.19785	1.6
407.18451	2.0
407.46378	1.4
412.16626	2.0
417.16498	2.1
418.21964	1.8
418.86594	1.5
420.16138	1.8
421.24384	2.4
423.21756	4.6
429.16696	3.2
430.17569	1.8
431.18524	4.4
433.23804	5.8
434.17462	3.8
435.18036	3.2
437.23337	2.8
444.19363	6.2
445.19916	7.2
447.18286	2.0
448.18372	2.9
449.19577	3.4
450.20520	2.2
459.21869	37.6
460.22903	7.8
461.23569	6.8
463.21857	1.9
464.22095	2.7
465.23456	7.8
473.23581	1.9
475.21030	1.6
477.18939	1.8
479.20184	1.6
490.19980	1.8
492.20767	6.6
493.22372	3.9
502.20309	1.8
504.21393	2.7
519.24054	8.4
520.20966	5.0
536.24103	2.3
537.22131	1.6
537.88177	1.7
538.21649	3.9
546.26398	2.2
547.27271	22.4
551.26288	4.7
552.23645	2.7
561.24811	4.7
563.26740	3.0
565.24176	1.8
574.26202	2.7
579.25958	16.6
580.26697	9.2
589.24390	4.5
591.25977	2.3
593.23474	2.1
596.26202	5.5
606.28394	100.0
607.25427	27.0
608.27698	1.9
610.27051	3.0
611.28607	23.9
621.27246	5.0
622.27789	7.3
624.25403	4.5
639.27997	98.6
640.27753	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	638.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01865	2.7
55.05499	2.2
55.09935	0.7
56.05022	0.8
57.03431	2.6
58.61113	0.6
61.02909	2.3
65.03925	1.0
67.05489	2.6
68.99787	1.3
69.03427	13.2
69.07056	2.3
69.10892	0.9
70.06586	6.5
71.04987	2.5
71.55879	1.1
72.08134	2.5
73.02905	2.4
78.35543	0.8
79.05495	4.6
81.03419	11.6
81.07061	4.5
83.04974	1.3
84.08154	1.0
84.51284	0.8
85.02908	20.6
85.06539	1.2
85.50052	0.7
86.09673	1.1
87.00824	7.8
91.05480	7.7
93.07047	4.4
95.04948	2.8
95.08598	3.4
96.05350	1.0
96.31390	0.9
97.02895	12.1
97.06544	1.9
97.10151	0.8
98.06068	1.2
98.09705	0.8
99.04447	4.6
103.05459	1.4
105.01862	3.1
105.07044	4.3
107.04975	1.7
107.08576	2.1
109.02895	9.6
109.06518	1.8
109.10167	3.1
116.07114	1.7
117.01855	1.4
117.07016	2.1
118.07756	0.7
119.04960	8.5
119.08565	4.1
120.08115	1.8
121.10149	2.3
122.02745	0.7
123.04433	2.6
123.08070	0.8
123.11730	1.3
124.07568	1.2
125.06003	1.8
127.03917	14.7
128.06212	2.1
129.01846	1.3
131.08591	1.9
133.06500	2.7
133.10138	3.5
135.08064	1.0
135.11723	1.4
137.05995	1.7
138.03108	6.6
143.08598	4.1
145.04961	4.3
145.06480	1.7
145.10115	1.8
147.03178	1.5
147.04417	24.9
147.07994	1.7
147.11723	1.4
148.04828	0.8
148.07542	1.5
149.06038	1.7
149.09581	1.2
149.13344	0.8
153.05469	100.0
154.05800	2.6
157.10115	1.3
159.02930	4.3
159.04214	0.9
159.07980	0.9
159.11714	1.2
161.06000	3.7
161.09639	2.8
163.03920	1.8
163.07428	0.9
163.11188	1.2
165.05490	0.9
165.09103	1.0
167.07013	2.4
171.08058	8.4
171.11736	0.8
173.06006	2.0
173.09663	0.9
174.06825	4.4
175.07562	4.1
175.11166	1.0
175.14830	0.8
177.05473	1.2
179.07021	9.1
185.02689	0.8
185.09618	1.2
187.07549	1.8
189.05446	0.9
189.07401	1.5
189.09119	29.8
191.10551	1.1
197.02794	1.0
201.09183	2.3
203.10681	5.4
213.03914	0.9
213.09006	5.2
215.10768	2.4
219.10109	0.8
225.09276	0.8
231.04987	2.6
231.10114	8.3
255.10146	4.3
279.10318	1.3
281.12405	0.7
297.11374	3.4
301.10703	3.0
333.08261	1.4
337.23779	1.0
339.12292	1.2
341.13882	6.0
355.15384	23.3
355.24606	0.9
367.15454	1.4
372.21902	1.0
378.51877	0.7
379.15363	4.5
385.89719	0.7
390.15613	0.9
397.16437	7.7
399.40222	0.7
401.12247	2.1
419.13531	1.5
420.11035	0.9
421.16513	5.1
445.16483	1.0
452.22662	0.7
463.17438	8.2
530.16449	0.9
549.18353	0.8
553.28345	0.8
567.18854	2.6
585.19653	4.0
603.21143	4.9
613.01178	0.8
638.31000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65133	0.6
51.73739	0.6
53.03929	2.5
55.01861	2.4
57.03424	1.6
61.02924	1.3
65.03941	1.4
67.05510	1.3
68.99788	2.1
69.03076	1.1
69.03426	12.3
69.25563	5.2
69.25986	2.4
70.06590	1.6
71.04984	1.1
73.02913	1.3
79.05484	2.3
81.03420	11.3
81.07063	1.6
83.04956	0.8
83.54413	0.7
85.02906	17.5
87.00806	6.0
91.05486	5.5
93.07024	1.8
95.04948	0.9
95.08607	0.9
97.02901	7.2
97.06537	1.0
99.04451	3.5
103.03940	1.0
105.01888	3.8
105.07015	2.5
107.04964	1.2
109.02892	8.8
109.06515	1.5
110.03680	1.0
117.07003	1.5
119.04952	6.3
119.08589	2.4
119.39577	0.8
121.10126	1.5
123.04438	1.0
125.06035	1.3
127.03922	13.3
128.06203	1.8
129.01845	1.3
129.07005	1.2
130.07837	0.7
131.04878	0.9
131.08571	1.0
133.06500	2.0
133.10110	2.2
138.03116	6.2
143.08568	4.6
145.04962	3.3
145.06502	2.4
145.10138	1.6
147.03223	1.1
147.04402	19.6
147.08035	1.7
149.05942	0.7
153.05470	100.0
154.05882	1.0
157.09995	0.7
159.02866	4.1
161.06003	1.6
161.09636	3.1
171.08032	8.3
173.05954	1.1
174.06804	4.9
175.07515	2.8
179.07019	8.9
185.09685	0.8
187.07552	2.0
189.04065	0.9
189.09111	30.2
195.06578	0.9
199.07681	1.0
201.09132	2.6
203.10617	3.7
213.03909	1.0
213.09113	5.7
215.10722	2.7
231.04916	2.0
231.10201	8.0
237.09065	0.9
255.10272	4.9
279.10281	1.5
297.11188	4.6
301.10672	3.5
311.13083	1.0
339.12302	1.0
341.13776	6.6
355.15417	19.5
367.15274	1.5
379.15356	5.6
397.16455	10.0
401.12396	2.4
419.13458	2.5
421.16400	5.9
463.17584	8.5
567.18542	2.5
585.19659	4.7
603.20508	6.2
604.83783	0.9
643.50488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65133	0.6
51.73739	0.6
53.03929	2.5
55.01861	2.4
57.03424	1.6
61.02924	1.3
65.03941	1.4
67.05510	1.3
68.99788	2.1
69.03076	1.1
69.03426	12.3
69.25563	5.2
69.25986	2.4
70.06590	1.6
71.04984	1.1
73.02913	1.3
79.05484	2.3
81.03420	11.3
81.07063	1.6
83.04956	0.8
83.54413	0.7
85.02906	17.5
87.00806	6.0
91.05486	5.5
93.07024	1.8
95.04948	0.9
95.08607	0.9
97.02901	7.2
97.06537	1.0
99.04451	3.5
103.03940	1.0
105.01888	3.8
105.07015	2.5
107.04964	1.2
109.02892	8.8
109.06515	1.5
110.03680	1.0
117.07003	1.5
119.04952	6.3
119.08589	2.4
119.39577	0.8
121.10126	1.5
123.04438	1.0
125.06035	1.3
127.03922	13.3
128.06203	1.8
129.01845	1.3
129.07005	1.2
130.07837	0.7
131.04878	0.9
131.08571	1.0
133.06500	2.0
133.10110	2.2
138.03116	6.2
143.08568	4.6
145.04962	3.3
145.06502	2.4
145.10138	1.6
147.03223	1.1
147.04402	19.6
147.08035	1.7
149.05942	0.7
153.05470	100.0
154.05882	1.0
157.09995	0.7
159.02866	4.1
161.06003	1.6
161.09636	3.1
171.08032	8.3
173.05954	1.1
174.06804	4.9
175.07515	2.8
179.07019	8.9
185.09685	0.8
187.07552	2.0
189.04065	0.9
189.09111	30.2
195.06578	0.9
199.07681	1.0
201.09132	2.6
203.10617	3.7
213.03909	1.0
213.09113	5.7
215.10722	2.7
231.04916	2.0
231.10201	8.0
237.09065	0.9
255.10272	4.9
279.10281	1.5
297.11188	4.6
301.10672	3.5
311.13083	1.0
339.12302	1.0
341.13776	6.6
355.15417	19.5
367.15274	1.5
379.15356	5.6
397.16455	10.0
401.12396	2.4
419.13458	2.5
421.16400	5.9
463.17584	8.5
567.18542	2.5
585.19659	4.7
603.20508	6.2
604.83783	0.9
643.50488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.5
55.01878	2.2
55.05490	1.0
57.03446	2.1
61.02918	1.5
65.03971	0.9
66.90453	0.4
67.05503	2.3
68.99787	2.4
69.03081	0.8
69.03431	12.4
69.07053	1.5
70.06599	2.6
71.01361	0.6
71.04997	2.2
71.55683	0.5
73.02911	1.9
79.05486	2.2
81.03421	10.7
81.07056	4.3
83.05006	0.5
83.08635	0.5
85.02910	18.8
85.06517	0.5
87.00829	7.4
87.04462	0.7
91.03957	0.7
91.05490	5.9
93.07043	1.8
95.04916	0.7
95.08601	2.8
97.02890	9.0
97.06527	1.3
99.04451	4.0
101.02347	0.6
103.03915	0.8
103.05448	1.1
105.01873	3.9
105.03436	0.5
105.07047	3.8
107.04948	1.8
107.08608	1.4
108.08905	0.5
109.02887	9.7
109.06515	1.6
109.10154	1.7
110.03671	0.6
111.04480	0.5
111.08099	0.4
115.03931	0.6
116.07107	1.5
117.01859	1.0
117.07013	1.4
119.04958	5.8
119.08569	2.8
120.08134	0.7
121.06509	1.0
121.10126	2.5
122.76514	0.4
123.04422	1.6
123.08082	0.5
123.11703	0.8
125.05982	1.5
127.03920	15.4
128.06216	1.6
129.01810	1.1
129.06996	0.7
129.93660	0.5
131.08592	1.1
133.06494	2.0
133.10130	1.6
135.04355	0.5
135.07965	0.6
135.11671	1.2
137.05971	1.2
137.13275	1.3
138.03127	5.2
142.07785	1.1
143.08551	3.4
145.04968	5.8
145.06458	1.8
145.10210	0.8
146.07239	0.6
147.04416	20.5
147.08029	1.9
147.11681	1.5
149.06009	0.8
149.13301	0.8
151.07559	0.8
151.11160	0.5
153.05470	100.0
154.05794	1.1
157.10080	1.0
159.02882	4.7
159.04108	0.7
159.08066	0.9
160.05208	0.5
161.05965	3.7
161.09592	2.9
161.13310	0.5
162.06721	0.5
163.03848	0.9
163.11217	0.5
165.09096	0.5
167.07156	0.6
169.10101	0.5
171.08055	8.0
173.05959	1.3
173.09639	0.7
173.13182	0.5
174.06766	3.7
174.13484	0.6
175.03912	0.7
175.07565	2.9
177.04024	0.5
177.05423	1.0
179.07036	9.4
183.08043	0.8
185.02747	0.7
185.09628	0.8
187.07570	1.7
187.11330	0.5
189.09116	31.6
191.10634	0.7
195.06522	0.7
195.08076	1.3
195.13734	0.5
199.07506	0.7
199.11113	0.5
201.09151	3.0
203.10663	5.3
207.13556	0.5
213.03906	0.7
213.09103	5.3
215.10652	2.6
223.10994	0.5
227.10660	0.8
230.58061	0.4
231.05069	3.0
231.10158	8.2
236.65239	0.5
237.09166	0.6
238.54813	0.5
241.12233	0.6
242.78130	0.5
243.10121	0.7
255.10188	5.4
279.10211	0.6
291.11301	0.5
297.11234	6.2
301.10709	4.7
311.12756	0.6
315.11148	0.6
319.26315	3.0
337.27393	1.2
339.12814	0.6
341.13855	8.0
353.13815	0.6
355.15424	22.0
367.15405	1.3
379.15326	5.4
383.11496	0.6
397.16431	7.6
401.12378	3.1
419.13345	2.0
420.11359	0.8
421.16379	6.3
445.16574	1.1
463.17514	10.2
549.17194	0.6
567.18738	3.4
585.11487	0.6
585.19720	4.5
603.20654	6.9
606.20349	0.6
638.33087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.03941	2.3
55.01873	2.8
55.05509	1.1
57.03432	2.7
61.02912	1.5
62.28735	0.4
65.03933	0.9
67.05492	2.3
68.99784	2.2
69.03077	0.8
69.03434	13.0
69.07050	1.5
69.25572	5.2
70.06609	2.7
71.04990	1.9
72.08169	0.7
73.02911	2.3
77.75903	0.6
79.05498	3.0
81.02973	1.0
81.03418	11.6
81.07056	4.7
83.04983	0.7
83.08590	0.6
84.08144	0.6
85.02911	18.2
85.03432	0.9
87.00835	6.1
91.05473	5.5
93.07037	2.6
95.04973	1.4
95.08613	2.9
97.02898	8.6
97.06538	1.5
99.04445	3.3
101.02428	0.7
101.57680	0.6
103.03953	1.0
103.05485	0.8
105.01872	3.5
105.07044	4.0
107.04948	1.5
107.08590	2.2
109.02882	10.2
109.06509	1.4
109.10163	1.7
110.03622	0.7
111.04404	0.6
114.21577	0.5
114.60452	0.6
115.05422	0.9
116.07082	1.0
117.01873	1.1
117.07008	1.2
119.04936	6.5
119.08578	2.7
121.06500	0.8
121.10145	2.9
123.04427	2.1
123.11709	1.0
125.06017	0.9
127.03921	14.3
128.06270	1.1
129.01849	1.8
129.06969	1.0
131.08585	1.3
133.06511	3.2
133.10118	2.5
135.04332	0.7
135.08008	0.7
135.11668	1.5
137.05978	2.0
137.13220	0.9
138.03136	6.3
141.06996	0.6
143.08562	5.0
145.04999	4.2
145.06471	2.0
145.10149	1.3
146.07315	0.6
147.03035	1.4
147.04416	22.2
147.08072	1.8
147.11633	1.1
149.05980	1.1
149.09541	0.8
149.13292	1.0
151.07616	0.7
153.05475	100.0
154.05846	1.0
155.08578	0.6
157.10152	1.1
159.02916	3.9
159.08086	1.3
161.05966	2.7
161.09604	2.8
163.03903	1.0
163.07555	1.0
163.11150	0.8
167.07065	1.1
169.06546	0.6
171.08069	9.2
173.05948	1.4
173.09641	0.7
174.06776	4.9
175.07591	3.4
177.03976	0.5
177.05455	1.1
179.07053	8.9
183.08104	0.6
185.02666	0.9
185.09737	1.0
187.07542	2.1
187.11188	0.7
189.09119	30.9
191.10745	1.0
195.06548	0.9
195.08116	0.9
198.06795	0.7
199.07545	0.8
201.09125	2.2
203.10703	5.3
213.09091	5.7
213.10756	0.6
215.10690	2.7
227.10739	1.1
229.14590	0.6
231.05144	2.7
231.10179	6.7
237.09094	0.7
243.10126	0.6
255.10211	5.6
297.11224	4.9
301.10684	5.1
311.12900	1.0
319.26331	3.3
337.27371	1.5
339.12531	0.9
341.13889	6.5
355.15421	19.6
355.28616	0.7
367.15686	1.3
379.15430	5.7
387.12601	0.7
391.15744	0.7
397.16522	8.0
401.12302	1.6
419.13397	2.0
421.16391	5.9
445.16370	1.5
463.17581	7.6
488.23276	0.8
525.53601	0.6
549.17249	0.6
567.18512	3.5
585.19690	5.7
603.20892	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	638.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.01880	2.7
55.05497	1.5
57.03431	3.0
61.02923	3.6
65.03943	1.9
67.05508	4.8
68.99799	3.6
69.03429	12.0
69.07073	13.6
70.06590	7.9
71.05003	1.7
71.55225	1.2
72.08160	2.3
73.02921	1.9
74.00661	1.8
79.05500	5.0
80.30983	0.8
81.03429	7.1
81.07059	5.5
82.07408	1.0
83.01335	1.1
83.08611	1.4
84.08159	1.5
85.02425	1.7
85.02914	23.9
87.00833	1.5
87.04470	1.4
88.04023	2.2
91.03929	1.2
91.05485	5.5
93.03386	1.3
93.07037	4.4
95.04987	6.0
95.08624	3.5
97.02898	12.3
97.06530	0.8
97.10154	1.2
99.04451	2.4
105.07060	5.2
107.04933	2.2
107.08581	4.2
109.02882	4.6
109.06526	1.9
109.10187	2.3
111.02643	1.1
111.04427	1.8
111.08079	1.0
116.07130	2.5
117.07045	2.9
119.04960	2.6
119.08583	3.3
120.01182	1.7
120.08120	1.0
121.06519	2.8
121.10151	3.7
123.04436	34.3
123.11729	1.3
125.36909	1.0
127.03905	6.5
128.06252	1.0
128.07133	1.3
131.04904	1.3
131.08575	1.9
133.02885	1.6
133.06503	2.7
133.10165	1.7
135.04428	9.9
135.08037	4.8
135.11740	1.6
136.05214	1.8
137.05991	31.7
138.03145	1.8
139.02156	1.4
139.03925	7.3
139.64232	0.8
143.08537	2.1
145.04977	3.2
145.06511	1.9
145.10136	2.2
146.03677	1.4
147.04420	11.7
147.08011	1.7
147.11618	1.0
148.05161	1.2
149.02287	1.0
149.06004	6.7
149.09663	1.1
149.13300	1.2
151.03900	2.0
153.05476	28.8
153.06744	1.4
154.06140	1.6
155.01599	2.0
157.10170	1.3
159.04405	1.1
159.08026	1.7
159.11736	0.9
160.05273	1.1
161.05992	6.9
161.09689	1.4
161.13306	1.3
163.02341	0.9
163.03935	3.4
163.07553	26.9
163.11211	1.0
164.04698	3.4
165.00073	5.8
165.05481	1.2
167.01625	13.5
167.07013	1.4
169.03247	0.9
169.06471	1.2
170.00322	1.8
171.08057	2.5
173.05963	2.0
173.09663	1.2
174.06752	2.0
175.07602	2.0
175.11244	1.0
177.05487	3.4
178.06229	5.3
178.97087	0.8
179.01675	7.1
179.05235	0.8
179.06947	1.1
180.99568	2.3
183.01120	3.7
185.02690	100.0
187.07549	1.5
189.09123	12.6
191.10667	11.8
192.02341	1.1
194.00336	1.4
196.01944	6.4
197.02719	10.4
197.06001	1.4
199.07501	0.9
201.09171	1.0
203.10677	2.0
207.04768	5.9
207.10341	1.0
209.02676	10.4
209.05937	1.0
211.04245	7.0
215.10733	2.3
221.02773	1.1
221.06273	1.7
222.03511	3.3
223.07805	1.0
225.05797	1.8
231.04738	1.1
237.05823	19.1
239.07275	2.4
251.07182	1.5
252.07799	1.1
253.08559	1.0
263.07422	1.2
265.05139	1.6
266.05725	1.3
269.02496	0.9
269.08118	1.1
270.08838	1.4
271.06201	1.1
283.03723	0.9
283.06381	1.8
286.08450	2.4
297.07657	2.5
298.08380	6.6
299.03793	2.9
299.09140	0.9
300.09924	2.2
301.10669	4.6
302.11453	3.8
305.04886	1.3
307.10718	1.1
313.05301	2.1
317.10333	1.5
319.06311	13.1
319.26303	1.1
331.06345	27.0
331.10083	1.7
333.07953	13.7
348.09119	1.2
355.10074	1.8
355.15314	1.9
357.08194	1.5
372.21780	0.9
374.10498	1.8
385.07294	1.3
387.12631	83.8
388.12988	2.2
403.08545	5.2
408.11130	3.3
413.14120	3.8
420.11142	53.8
421.11218	1.2
430.16840	2.5
459.14731	3.3
476.17426	39.8
476.27365	1.7
518.18347	1.0
549.17712	3.5
582.16290	10.2
620.21649	1.1
638.22491	12.7
638.31671	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78414	0.5
69.30407	4.5
83.11057	0.5
86.77242	0.4
115.01311	0.5
128.67558	0.4
187.23047	0.5
201.20456	0.5
211.01909	0.4
223.84671	0.5
298.13315	0.5
375.17282	0.7
387.16479	0.7
388.17722	0.5
389.18198	0.7
390.18652	0.8
391.19174	2.6
392.20197	1.2
399.16315	1.5
400.16943	2.2
401.17664	2.2
402.18863	0.9
403.19739	1.5
404.20529	1.8
405.20822	5.8
406.21539	6.8
407.21979	0.5
412.17880	0.8
413.17694	2.9
414.18381	3.2
415.19119	6.0
416.20099	0.7
417.20966	1.8
418.22247	0.8
419.17731	0.8
419.22421	2.1
420.23172	4.4
421.18484	0.9
421.23907	12.0
427.19281	3.0
428.19977	3.1
429.20874	12.6
430.21848	3.8
431.18393	1.6
431.23154	1.0
432.23074	0.9
433.20190	2.3
433.24384	1.7
434.24606	1.5
442.21692	1.9
443.22668	8.8
444.23648	4.2
445.19781	4.9
446.20862	0.9
447.17874	1.5
448.22028	0.7
452.22034	0.7
455.18842	1.3
456.19449	1.6
457.24792	4.8
458.25143	6.8
459.21967	9.9
460.22632	5.5
461.19232	7.7
470.21140	1.6
471.21689	1.7
472.22778	7.1
473.19083	1.5
473.23627	1.9
475.20554	2.6
476.22003	6.1
477.26953	1.0
484.18939	0.8
485.23553	14.2
486.20322	3.1
486.24750	2.0
487.20526	2.6
488.22073	5.0
489.22797	2.0
490.23944	0.8
492.25418	0.6
493.21783	0.7
498.20370	0.7
499.21295	1.1
500.22128	2.1
502.23703	1.1
503.24451	19.0
504.24365	1.1
513.22906	3.0
514.23682	1.5
517.26056	8.2
529.25958	1.4
530.23407	1.1
535.27100	22.8
536.27228	0.8
545.25513	81.2
546.25775	3.2
549.25140	0.6
562.26544	0.6
563.26709	5.0
573.24963	17.6
577.28076	0.9
578.28625	2.1
605.27612	84.0
606.28003	4.3
637.30237	100.0
638.30450	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	637.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00581	0.3
57.07077	0.4
66.51907	0.2
67.05497	0.3
71.34560	0.6
79.48373	0.3
87.60848	0.3
92.75375	0.3
100.13132	0.3
100.50850	0.3
105.68238	0.3
150.59123	0.3
172.48201	0.3
174.95273	0.3
229.12292	0.3
237.14311	0.3
389.17828	0.4
391.19492	0.8
400.25308	0.3
401.17676	1.0
402.18536	0.8
403.19305	1.1
404.20465	0.5
405.20923	1.0
406.21466	0.4
407.22806	0.3
415.19617	1.6
416.15518	0.4
416.20065	0.9
417.16394	0.6
417.21524	2.2
419.22546	1.9
420.23358	0.9
428.16150	0.6
429.16495	0.7
429.21396	0.8
430.17288	2.6
431.18250	3.9
432.18900	0.9
432.23471	1.0
433.20285	0.8
435.21756	0.7
443.18008	2.1
444.18979	3.0
445.20108	10.1
446.21378	3.0
447.22479	1.5
456.19785	0.4
457.20184	0.8
458.20905	8.6
459.21811	6.4
460.22815	7.5
461.19324	4.5
462.20496	0.6
471.22186	0.7
472.22675	0.4
473.23410	1.0
474.20071	0.3
475.21216	2.8
476.22198	1.4
477.22772	2.4
485.23410	0.7
486.24118	0.4
489.19128	0.5
489.23492	0.3
490.23843	0.8
491.24207	1.6
503.20468	0.8
504.25284	1.1
505.22064	0.6
513.23169	0.5
517.22498	1.2
518.23047	5.4
519.24011	0.3
531.24054	1.1
532.25031	0.7
533.25549	3.0
535.23370	2.0
545.25507	2.7
546.26453	1.7
549.24908	1.3
562.25763	0.5
563.25983	0.6
573.25037	1.1
576.23840	0.3
577.28564	3.1
592.27075	0.4
605.27545	14.4
606.28333	1.1
637.30206	100.0
638.30347	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	637.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01874	1.9
69.03436	0.7
69.07082	1.3
69.31391	0.2
69.56912	1.5
70.06606	1.4
72.08147	0.9
73.02922	0.5
79.05497	0.3
81.03426	0.4
82.55467	0.2
84.08147	4.3
85.02898	0.8
91.05489	0.3
94.06589	0.5
95.04980	0.4
97.02905	1.3
97.06540	0.4
105.07018	0.3
108.04485	0.3
109.02879	0.4
115.09125	0.3
116.07059	0.3
119.08547	0.3
122.01189	0.3
122.06045	0.5
122.41235	0.2
123.05581	0.6
127.03916	0.5
130.08629	0.4
136.07608	0.3
137.06001	0.6
140.07083	2.5
145.10130	0.3
147.04427	0.7
148.07576	2.7
153.05507	0.4
157.47647	0.2
160.07629	0.4
163.03917	0.5
166.05312	0.2
168.06563	3.1
170.09645	0.4
173.13269	0.3
174.05502	1.0
186.09119	0.3
191.10663	0.3
197.10693	0.3
198.09125	1.1
199.08688	3.2
199.12253	0.3
210.09264	0.3
211.08749	0.4
212.09477	0.7
213.10229	0.9
214.11034	0.6
215.11807	0.9
224.10808	0.6
225.10219	3.3
226.08638	1.0
226.10753	0.4
227.08362	1.3
227.11826	2.2
239.11732	0.5
241.09758	0.6
241.13293	0.6
242.10571	0.9
243.11349	1.2
252.10251	0.5
254.11244	0.3
255.11304	12.9
256.11819	0.4
267.11365	0.3
269.08243	0.5
269.12900	3.3
273.12451	0.3
280.09476	0.3
287.13876	1.1
297.12360	5.4
299.13885	0.9
303.05078	1.5
308.25903	0.3
314.49933	0.2
315.13394	100.0
316.13885	2.6
371.28900	0.6
389.15738	0.3
389.30072	1.1
447.09137	0.8
619.27362	0.5
637.28168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.07068	1.6
67.05487	3.1
69.96458	7.6
72.50394	1.6
73.91296	1.6
80.02454	1.5
81.07063	4.1
83.08593	2.1
86.96108	1.5
89.06013	1.4
89.93626	1.6
92.24516	1.5
95.08625	2.9
105.07055	2.0
109.10139	3.3
111.30671	1.5
115.97073	1.6
119.08601	2.1
121.95062	1.7
123.08072	1.4
133.08659	1.6
162.05571	1.8
177.35085	1.9
182.08327	1.9
193.07605	2.9
194.08339	1.9
194.86717	1.7
195.09169	4.1
196.09926	3.9
197.10718	4.8
198.20473	1.5
199.13405	1.4
207.09175	4.7
208.09935	4.3
209.06987	2.2
209.10736	9.3
210.11462	9.2
211.08681	2.7
211.12234	2.4
221.07068	2.9
222.07855	3.4
223.08722	10.0
223.12328	6.5
224.09450	17.4
224.13089	4.5
225.10269	7.6
225.13849	11.5
226.14716	2.5
235.08646	7.3
236.09506	5.1
237.06604	1.9
237.10207	7.0
238.11049	4.5
251.08037	4.0
251.11824	5.2
253.09596	1.5
253.13370	24.1
255.11259	3.4
256.12131	5.0
263.08130	4.4
264.08884	3.8
265.09689	4.3
266.10623	2.6
269.09241	2.6
270.80481	1.5
271.14468	2.9
272.07996	1.8
274.39148	1.7
277.06210	1.9
279.07944	2.0
279.11276	5.9
281.09125	5.7
281.12836	2.4
283.10883	1.7
291.07733	9.6
295.07358	3.1
297.12350	5.1
309.08771	3.1
310.09448	3.7
311.10165	1.7
311.31821	1.7
319.07242	2.6
323.10187	1.9
325.11725	3.7
326.71967	1.6
351.09799	29.4
369.10843	31.0
418.38727	1.5
461.19223	1.8
503.20959	2.6
517.22723	7.1
545.21674	1.8
549.24377	2.0
573.21503	3.5
577.16187	3.1
577.24542	42.4
578.24115	1.9
605.23981	100.0
606.24609	2.0
637.26727	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85343	0.4
61.74314	0.4
68.98983	0.4
69.04932	0.4
70.07095	0.5
71.06342	0.9
80.53394	0.4
97.06702	0.4
105.02614	0.4
207.09256	0.5
207.72752	0.4
259.49927	0.4
275.11777	0.5
374.16190	0.6
377.18149	0.8
378.18427	0.8
385.14627	0.7
386.15540	0.8
387.16174	1.2
390.18921	0.5
391.19199	1.8
392.19717	0.6
393.20871	1.7
397.15439	0.5
398.16464	0.6
399.16214	2.2
400.16940	2.3
401.17706	3.6
402.18945	0.6
403.19086	1.0
406.21494	0.7
407.22311	2.7
412.17093	0.5
413.17667	2.5
414.18692	3.7
415.19437	7.3
416.20502	0.8
417.20981	1.2
421.20239	2.9
425.17697	0.9
427.19168	1.6
428.20511	3.0
429.15817	0.6
429.21301	7.6
430.22104	2.3
431.18594	0.7
433.20441	0.5
435.21899	1.8
441.17468	1.3
442.17920	1.6
443.18173	3.1
443.22516	3.6
444.18472	3.9
445.20322	2.8
446.20886	0.5
447.17734	0.8
456.19629	2.0
457.20544	5.4
458.21237	4.1
461.19525	0.9
462.20346	0.5
470.17139	0.5
471.22214	7.3
472.23340	4.8
473.19476	4.3
474.20615	1.4
484.18936	0.9
485.20044	2.4
486.20499	6.6
487.21466	2.8
488.21960	1.4
489.22412	1.2
490.19681	3.8
491.20798	0.7
499.21359	10.8
500.22968	2.7
502.19849	0.8
503.25049	3.8
513.19434	1.0
514.20001	1.4
516.21777	1.4
517.22327	3.5
527.20801	2.8
528.21625	1.4
530.22827	0.5
531.23993	10.8
541.22223	0.5
543.24023	0.9
544.20850	0.7
545.21863	1.4
549.25055	1.1
559.23419	99.6
560.23712	4.0
587.22943	15.7
619.25531	100.0
620.25696	3.7
637.26636	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	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
61.34307	0.6
67.05510	2.4
69.03431	0.8
69.07070	0.9
69.49837	5.0
71.08622	1.1
79.05471	0.7
81.03449	0.7
81.07053	2.3
83.08658	0.7
91.00190	0.6
91.05501	1.1
93.07049	0.8
95.08617	1.8
101.15156	0.7
105.07086	0.5
106.61353	0.6
107.08611	0.8
109.10151	1.5
118.03460	0.6
121.10155	1.1
123.11548	0.7
125.34649	0.6
128.07549	0.6
133.10202	0.8
134.96971	0.6
144.76070	0.7
145.10184	0.6
167.08655	0.6
221.10699	0.8
249.10265	0.9
253.09576	0.8
288.11508	0.8
363.16278	1.2
364.17047	0.8
377.17728	3.9
378.18469	2.0
379.18866	0.8
385.14777	1.2
387.16083	1.8
388.17392	1.1
389.18015	0.9
390.18164	1.3
391.19455	4.2
392.19891	2.3
393.20819	4.1
396.14417	0.6
399.16122	2.6
400.17203	3.1
401.17715	3.0
403.19562	1.1
405.16357	1.2
405.20898	2.2
407.22357	7.9
413.17804	2.9
414.18530	4.2
415.19351	9.0
416.20035	2.3
417.21121	1.5
419.18356	3.0
420.19467	0.9
421.20227	4.9
425.17465	1.1
427.19684	1.2
428.20737	3.1
429.21472	6.6
430.17303	1.1
430.22025	1.8
431.18729	1.3
433.20761	1.0
434.21265	1.3
435.21603	5.8
436.22696	1.5
440.19403	0.9
441.17087	1.2
442.17746	1.4
443.18210	3.1
443.22568	4.2
444.18661	3.2
444.24478	1.0
445.20230	4.1
446.21539	1.0
447.17896	2.1
448.18939	1.1
455.18872	0.8
456.20224	0.7
457.20816	4.6
458.21231	3.3
459.18240	2.9
461.19748	2.8
462.20560	1.8
463.20728	1.0
470.16537	0.9
471.22516	6.5
472.23608	4.0
473.19531	7.1
474.20569	2.9
475.16611	1.1
475.21902	1.2
483.17542	0.8
484.18460	1.6
485.19919	5.1
486.20767	4.5
487.21356	2.7
489.17804	0.7
489.24258	3.9
489.84836	0.9
490.19226	3.7
491.20950	2.4
499.21378	11.2
500.22021	2.6
501.19153	0.8
501.23792	1.2
502.19876	1.4
503.25598	3.1
507.24170	0.9
513.19031	6.7
514.19830	0.8
516.21722	2.2
517.22461	15.3
518.22150	1.0
521.25378	2.1
527.20721	3.7
528.21741	1.3
529.22485	1.5
531.24384	12.3
532.21069	1.2
543.23694	1.3
545.21680	1.1
548.24323	0.8
549.24786	7.7
550.25427	1.0
559.23431	79.3
560.23907	3.7
573.21881	1.1
577.24310	3.3
578.24945	1.4
587.22906	14.5
591.25818	5.1
605.24084	9.2
619.25488	81.3
620.25867	3.4
637.26532	100.0
638.26831	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
55.01874	9.0
55.05507	25.4
57.03431	19.4
57.07085	4.6
61.02923	8.1
65.03960	6.2
67.05502	32.3
69.03433	78.1
69.07060	19.5
70.06600	9.4
71.04998	19.1
71.30792	7.1
72.08158	10.5
73.02917	7.6
79.05495	27.0
79.18053	3.8
81.03414	35.2
81.07063	100.0
83.04994	14.9
83.08633	12.3
85.02912	81.2
85.06515	6.9
87.00839	34.9
87.04465	12.1
89.02908	3.8
91.05482	24.9
93.07058	42.4
95.04978	15.9
95.08626	39.6
97.02901	70.9
97.06550	14.0
97.10168	3.9
99.04459	18.8
99.08091	6.2
102.43877	4.4
105.01888	43.4
105.07027	31.5
106.87052	5.7
107.08593	56.4
109.02879	24.5
109.06541	12.5
109.10165	52.8
111.04464	7.9
111.08055	7.6
115.03909	21.4
117.07008	4.8
119.08585	30.4
121.10185	27.8
123.11713	23.9
125.09658	11.4
127.03933	45.3
127.11201	16.4
129.01854	5.6
131.08586	10.9
133.10147	33.4
135.11690	81.3
136.12061	5.3
137.05969	5.6
137.09634	7.3
138.03134	5.4
143.08490	5.3
143.10686	22.2
144.56911	4.8
145.05009	21.5
145.10161	15.4
147.04440	7.6
147.11694	31.1
149.13300	13.2
153.05476	37.1
153.12811	5.5
154.05795	7.9
157.10165	10.5
159.02965	8.8
159.11693	11.1
161.13281	13.8
163.03937	12.4
163.11230	10.8
165.09148	6.6
165.12723	5.3
167.10753	6.0
175.14854	6.3
177.12740	5.7
201.16319	8.4
203.17981	44.1
205.19513	8.7
207.17473	4.4
221.19026	58.0
229.14331	16.4
231.05090	5.6
241.07120	8.7
249.06055	6.9
283.05551	4.3
305.21259	4.8
313.07455	6.1
314.07486	10.6
317.24927	6.1
327.07178	9.7
332.08304	9.8
335.25818	9.1
345.08228	18.1
388.14835	7.2
421.26270	7.2
438.25580	8.4
439.26419	29.9
614.80029	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	635.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02208	1.8
52.45112	1.5
53.33532	1.7
67.05510	2.7
68.58971	2.0
71.55981	2.4
79.05526	1.9
81.07081	3.5
83.74873	1.8
95.08612	2.7
95.81184	1.9
106.23772	1.8
109.10164	1.8
133.10127	1.9
159.57761	1.9
311.48947	2.0
402.18420	3.3
403.19275	4.4
404.20117	2.3
405.21188	2.3
417.21249	4.7
419.22537	4.8
429.17685	2.2
430.17981	6.2
431.18369	9.9
432.18878	2.8
433.24106	3.7
444.19101	3.3
445.20215	15.6
446.21149	4.3
447.21957	6.4
456.86761	1.9
458.20990	3.0
459.22095	8.6
460.22864	11.5
461.23547	8.1
488.22461	2.6
505.22165	2.6
519.23846	4.6
531.23767	2.5
533.62384	2.1
546.26685	2.0
547.27032	21.3
549.99170	1.8
575.22607	9.4
577.24866	2.5
591.25507	2.7
606.28577	19.9
607.29303	32.1
635.28674	100.0
636.29077	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	635.2865
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
57.07057	1.3
67.05497	2.9
69.07063	1.2
71.08613	1.2
71.56290	1.8
81.07040	2.5
83.17762	0.9
88.64227	1.1
91.05483	1.8
93.07034	1.3
95.08589	1.1
105.07024	1.5
109.10155	2.1
119.08598	1.3
121.40391	1.1
127.79716	0.9
215.14551	1.0
221.10693	1.2
403.19415	2.4
404.19666	1.2
416.16257	1.5
417.16342	1.4
417.20993	3.7
419.22610	1.2
430.17947	2.1
431.18280	7.1
433.23907	3.8
445.20114	7.0
446.20828	2.6
447.21603	1.5
459.17429	2.2
459.22574	1.5
460.22766	4.6
461.23450	3.7
488.22128	2.7
489.22842	4.4
533.25580	1.3
547.27869	5.3
575.26544	20.4
607.29193	1.9
635.28644	100.0
636.28973	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	635.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01873	1.1
57.03437	0.5
57.15130	0.3
65.03925	0.4
67.05515	0.4
67.72844	0.3
69.03426	3.2
69.07072	0.5
71.04996	0.5
71.16428	0.9
72.08174	0.4
73.02912	0.5
75.83423	0.3
76.47301	0.4
77.03840	0.4
79.05499	1.0
81.03426	3.7
81.07048	0.5
81.52980	0.3
85.02909	4.5
87.00834	2.4
87.72766	0.3
95.08673	0.4
97.02883	1.8
99.04456	1.2
105.01859	1.0
105.07040	0.5
107.04935	0.6
109.02895	2.9
110.03689	0.7
111.04407	0.4
117.01830	0.4
122.54556	0.4
123.04460	0.4
125.06008	1.1
127.03935	3.1
138.03114	6.0
141.01839	0.5
145.04997	0.8
153.05473	100.0
154.05795	0.7
159.02888	0.8
163.03941	0.6
165.01863	3.1
167.07043	0.4
179.03413	3.4
181.90007	0.3
183.02899	1.4
191.03424	5.6
193.05087	0.4
217.04993	0.5
225.05513	0.6
253.04970	1.0
257.08139	0.7
261.73938	0.4
270.05212	2.5
281.04288	0.5
285.07568	3.5
297.03986	0.4
298.04736	2.0
313.07059	48.7
314.07269	0.8
319.08090	0.9
325.55740	0.4
331.08133	41.6
332.08365	0.6
355.08200	0.5
369.13254	1.6
373.09149	0.8
387.14401	19.3
417.08301	0.7
469.75720	0.4
561.11981	1.9
579.13501	7.2
635.19086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.01874	12.2
55.05516	100.0
56.14460	3.5
57.03439	6.4
57.07084	4.7
59.04998	3.1
59.93189	3.3
65.03927	5.5
66.42538	3.5
67.05178	6.3
67.05511	94.1
67.54482	3.2
69.03427	14.1
69.07059	16.9
71.01334	3.4
71.05025	4.2
71.56812	4.9
73.02928	5.8
79.05497	33.5
81.03422	19.8
81.07058	43.2
83.04973	11.0
83.08621	43.9
85.02905	22.2
87.04473	12.9
91.05496	20.1
93.07061	14.6
93.92016	3.4
95.04984	9.3
95.08618	21.3
97.02898	4.1
97.06535	3.8
97.10178	68.0
99.04465	3.5
100.11301	5.4
105.07030	9.6
107.08614	23.0
108.26443	3.5
109.10164	69.5
111.08070	5.3
114.66873	3.1
117.07058	5.1
117.20252	3.1
119.08594	16.7
121.10147	9.3
125.09636	67.8
125.10537	3.8
127.25359	3.3
131.08636	4.0
133.10190	4.7
135.08095	3.6
135.11717	10.7
137.09624	5.5
143.10687	9.6
145.10101	9.9
147.11630	3.4
149.09677	4.3
153.12759	4.6
155.10715	8.5
163.11211	16.0
173.11752	48.5
181.12393	3.7
191.10603	4.1
193.12297	4.5
209.11765	5.0
217.79198	3.3
227.12956	4.0
345.25546	5.0
466.49179	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	634.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01874	2.3
55.05514	8.4
57.03445	7.8
59.05001	2.6
61.02899	2.1
64.26258	0.9
65.03941	1.6
67.05508	54.8
69.03426	4.4
69.07082	4.9
70.06586	2.5
71.04993	3.6
71.55062	1.1
71.55499	1.6
72.08150	1.5
73.02927	2.3
79.05496	13.0
81.03426	3.5
81.07062	17.8
83.04968	3.6
83.08620	7.9
85.02897	5.6
85.06547	2.6
91.03965	1.2
91.05491	9.5
92.90901	0.9
93.07043	20.6
95.04978	3.9
95.08611	23.4
97.02923	4.9
97.06535	3.5
99.04460	2.5
103.05476	0.9
105.07045	6.9
107.04936	5.4
107.08585	14.3
109.02895	1.3
109.06531	2.4
109.10160	50.6
110.10532	1.8
111.04459	1.2
111.08062	2.3
117.06992	5.1
118.47740	1.0
119.08591	10.3
121.06525	4.4
121.10140	8.0
122.06113	1.2
122.51174	1.0
123.08055	1.5
125.06007	2.7
127.03895	2.9
133.10136	3.3
135.08102	1.6
135.11702	26.9
137.09601	2.6
140.08084	1.3
143.08589	1.2
145.02814	1.3
145.10132	18.2
147.04427	2.8
147.11636	1.3
153.05486	6.3
153.31758	1.0
155.10712	3.5
159.04144	1.0
163.03906	2.0
163.11188	38.1
164.11501	1.1
173.11772	16.0
173.13208	2.2
175.40331	0.9
181.12257	9.0
211.13309	1.8
227.12790	41.5
229.14362	69.6
283.15408	45.6
313.06885	1.5
331.08185	1.6
353.15958	1.5
433.19366	1.6
437.25360	100.0
438.25574	1.8
454.29276	1.0
492.21249	1.3
493.21472	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	633.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92011	1.2
52.81454	0.9
53.03944	3.9
53.39625	0.9
55.01862	3.5
55.05264	1.3
55.05514	19.2
57.03434	6.6
57.07071	3.2
57.39987	0.9
59.04998	4.2
62.01786	0.8
64.13108	1.1
65.03938	4.3
67.05508	100.0
69.03435	34.7
69.07071	13.6
69.41136	2.2
69.41548	6.5
71.01353	1.8
71.04987	5.9
79.05496	35.1
81.03425	24.1
81.07063	45.2
83.04987	9.6
83.08626	14.8
84.70250	1.0
85.02903	4.0
85.06547	2.9
87.04469	2.0
91.05486	38.2
93.06467	2.0
93.07050	34.1
94.91434	1.1
95.04973	11.2
95.08614	31.4
97.02907	4.4
97.06524	5.0
97.10212	5.9
99.04466	3.7
103.03975	1.3
103.05499	1.0
105.04570	1.3
105.07039	27.8
107.04948	2.9
107.08593	19.3
109.02899	5.4
109.06494	5.8
109.10162	62.7
111.04417	5.8
111.08071	4.4
113.02385	1.0
113.05983	1.1
115.05481	2.4
117.07015	14.3
119.08591	24.7
119.09473	1.4
121.06528	4.3
121.10156	14.4
123.04470	1.6
123.08083	3.9
123.11703	2.6
125.09629	6.7
127.03954	2.8
127.07579	1.2
128.06262	3.3
129.05528	2.2
129.07019	9.3
131.08578	19.7
133.06514	3.4
133.10143	15.3
135.08072	4.2
135.11699	8.1
137.06003	2.0
137.09645	4.6
139.07466	1.0
141.07034	3.6
142.07770	1.6
143.08577	11.2
145.06490	4.7
145.10130	16.3
147.08067	2.9
147.11684	10.4
149.09631	3.4
149.13278	4.2
151.07509	2.1
151.11147	1.1
153.09061	1.4
155.08572	3.5
155.10686	3.0
157.06535	1.4
157.10136	8.0
159.08090	3.5
159.11681	12.2
161.09644	4.2
161.13263	5.4
162.06844	1.0
163.07565	1.6
163.11224	2.4
163.14833	1.6
165.09056	1.6
166.07802	1.0
167.08502	2.1
168.20833	0.9
168.71849	0.9
169.10199	4.4
170.10878	0.9
171.08087	2.1
171.11682	5.8
173.04541	0.9
173.09590	2.8
173.11766	16.3
173.13300	6.7
175.11224	2.9
175.14857	1.4
177.12794	1.7
179.08583	1.7
181.08652	1.0
181.10172	3.6
183.11748	3.5
185.09619	3.0
185.13286	5.3
187.11240	3.0
187.14841	3.6
189.08997	0.9
189.11287	3.9
189.12823	2.4
191.10776	1.8
191.14311	1.1
193.12202	1.1
195.11749	3.0
197.13281	3.8
199.14868	3.4
201.12744	2.0
201.16354	1.5
203.10767	1.1
203.14296	1.6
207.11819	1.4
209.13419	2.2
209.15343	1.5
211.14943	1.9
213.12773	1.7
213.16394	1.4
215.14388	1.7
219.13904	1.0
221.13423	1.5
221.15417	1.6
222.83688	1.0
223.14816	1.9
225.12758	2.1
227.12732	2.0
229.12154	1.7
229.14339	20.1
241.19534	1.2
245.13914	1.3
253.16098	1.0
259.20587	2.2
261.22293	2.3
273.22028	1.3
275.20151	1.1
277.21725	1.9
283.20572	1.7
287.20190	1.4
289.21582	2.2
297.21976	1.5
299.15027	3.4
301.21689	7.4
311.20053	1.3
313.21719	1.7
315.23587	1.0
319.22665	2.8
322.11282	1.1
327.23337	3.0
339.23148	1.3
341.24701	3.1
345.24307	1.7
351.23242	6.8
353.24838	1.9
355.17542	1.5
357.24326	1.8
369.24371	11.9
387.25247	5.9
388.25748	1.0
443.27975	4.2
461.29071	4.9
487.34177	1.1
597.38055	6.0
615.38751	9.1
633.39972	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95200	0.3
53.03951	2.5
55.01863	2.6
55.05510	0.9
57.03441	2.1
61.02931	1.5
65.03943	1.6
67.05508	1.1
68.99790	1.6
69.03432	13.3
69.07073	1.1
69.73054	2.2
70.06595	0.9
71.01351	0.7
71.04987	1.9
72.08123	0.4
73.02937	2.0
77.03956	0.4
79.05505	3.3
81.03424	11.8
81.07059	3.5
82.04212	0.8
83.01353	0.4
83.04979	0.5
83.08604	0.8
84.08152	0.5
85.02914	16.1
85.03442	0.8
85.06528	0.4
87.00834	6.0
87.04480	0.7
88.78124	0.4
89.03901	0.5
91.03958	0.4
91.05490	8.8
93.07037	2.1
95.04970	1.6
95.08632	2.5
97.02903	7.0
97.06534	1.5
97.10188	0.6
99.04457	3.5
101.02387	0.5
103.03932	0.9
103.05442	0.9
104.78313	0.4
105.01869	3.5
105.07027	3.3
107.04957	1.2
107.08564	1.7
109.02887	10.7
109.06512	1.9
109.10165	1.4
110.03666	1.0
115.03937	0.6
115.05437	1.9
116.06230	0.6
117.01878	0.8
117.03384	0.5
117.07053	1.0
119.04948	9.3
119.08567	2.3
121.06542	0.7
121.10159	1.6
123.04475	0.9
123.08049	0.5
123.11740	0.7
125.06000	2.2
125.09629	0.4
127.03927	15.8
128.06224	1.1
129.01840	1.5
129.06996	1.6
130.07785	0.8
131.04918	0.5
131.08591	5.5
133.02846	0.7
133.06509	1.8
133.10146	1.5
134.03601	0.4
135.04427	1.7
135.11673	1.3
137.05919	0.8
137.09579	0.8
138.03136	9.2
139.03786	0.5
141.07016	2.2
142.07806	0.5
143.08569	1.7
144.05728	1.0
145.02838	0.6
145.04988	3.4
145.06480	1.0
145.10117	1.4
147.04420	19.6
147.08064	1.4
147.11687	0.7
148.08784	0.4
149.06044	0.6
149.09673	0.4
149.13264	0.5
151.07562	0.6
152.04642	0.7
153.05478	100.0
154.05785	1.0
155.08585	0.6
157.10132	0.8
158.07309	2.6
159.02939	4.1
159.08067	6.1
159.11646	0.6
161.06003	2.1
161.09648	0.5
163.03912	5.0
163.11188	0.9
163.14723	0.4
164.04727	0.5
165.05447	1.0
167.07051	1.5
167.08502	0.6
169.05150	0.7
169.06464	3.9
169.07678	0.6
171.04314	0.4
171.08076	0.9
171.11739	0.5
173.05974	1.0
173.09631	1.7
173.13284	0.5
175.07571	1.5
176.04773	0.5
177.05423	2.1
177.09056	0.5
179.07050	8.4
185.09633	0.8
186.06743	2.5
187.05930	0.9
187.07549	11.0
187.14790	0.6
188.08112	0.4
189.04056	0.6
189.05492	3.1
189.09100	0.9
190.06229	0.5
191.07068	1.0
191.10718	1.5
191.17931	1.3
193.08548	0.4
195.06543	0.6
201.09116	6.0
203.07076	1.1
204.07829	4.0
205.04910	1.0
205.08606	3.5
213.04027	1.0
213.09113	1.5
215.07121	0.6
217.08551	0.9
219.10179	53.5
222.76576	0.4
231.04913	2.3
231.10187	1.1
233.08028	0.5
233.11667	1.9
245.11714	0.9
249.18474	0.7
261.11197	0.6
331.11670	3.4
367.11743	5.5
369.13394	0.5
371.14990	6.8
383.15027	0.6
385.12592	5.1
385.16446	25.8
386.16803	0.9
397.16180	0.8
427.17447	1.2
439.35754	3.6
507.52689	0.4
549.93341	0.4
633.21863	1.2
633.39758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36180	0.3
53.03950	2.8
55.01879	2.0
55.05520	0.8
57.03436	1.6
61.02926	1.6
65.03950	1.2
67.05506	1.4
68.99792	1.6
69.03432	11.9
69.07068	1.2
69.69550	1.9
70.06597	0.7
71.01364	0.4
71.05001	2.1
72.08144	0.7
73.02921	2.2
76.76151	0.3
79.05489	2.8
81.03426	10.2
81.07063	2.8
82.04208	0.4
83.01348	0.6
83.04988	1.0
84.08160	0.8
85.02913	15.2
87.00837	6.1
87.04473	0.7
89.03909	0.6
91.03963	0.5
91.05485	9.0
91.06013	0.7
93.03397	0.5
93.07063	2.2
95.04993	1.8
95.08620	2.8
95.33910	0.4
97.02899	6.9
97.06522	1.1
97.10172	0.9
98.21500	0.4
99.04456	4.3
101.02393	0.6
103.03928	0.9
105.01877	3.7
105.07028	3.5
107.04959	1.5
107.08580	2.3
109.02887	12.0
109.06517	1.5
109.10172	1.7
110.03666	1.1
111.04424	0.6
111.08140	0.4
115.03956	0.8
115.05466	1.9
116.06268	0.7
117.01841	0.8
117.03391	0.8
117.07035	1.2
119.04947	8.9
119.08575	2.0
121.06528	0.9
121.10149	1.7
123.04443	1.3
123.08117	0.5
125.06026	1.7
127.03928	14.3
128.06252	0.7
129.01854	1.3
129.07011	1.2
130.07787	0.9
131.04910	0.7
131.08580	4.9
133.02846	0.9
133.06531	2.0
133.10127	1.5
135.04471	1.7
135.08051	0.7
135.11676	1.2
137.05952	0.8
137.09595	0.5
138.03133	8.8
141.07010	2.1
143.08592	2.1
144.05710	1.1
145.02864	0.7
145.04976	3.0
145.06480	1.4
145.10129	1.5
147.04424	19.5
147.08055	1.4
147.11671	1.2
149.05966	0.8
151.07520	0.6
153.05476	100.0
154.05789	0.8
155.08572	0.6
157.06412	0.7
157.10147	0.9
158.07289	3.0
159.02893	3.6
159.08073	4.8
159.11630	0.5
161.05962	1.1
161.09764	0.4
161.13266	0.5
163.03908	5.3
163.11256	0.6
165.05388	0.8
167.07053	1.9
167.08487	0.5
169.06465	4.0
169.07588	0.5
171.02983	0.4
171.04387	0.5
171.08070	0.6
173.05972	0.9
173.09665	2.0
173.13200	0.4
175.07571	1.8
175.11101	0.4
176.08382	0.6
177.05441	1.2
177.09047	0.4
179.07047	8.0
185.09666	1.0
186.06798	3.4
187.05896	0.7
187.07555	10.8
188.08336	0.4
189.03961	0.6
189.05463	2.3
189.09131	0.5
189.16309	0.4
191.06982	1.0
191.10730	1.9
191.17963	1.5
195.02919	0.4
195.06532	1.4
195.08054	0.6
198.06834	0.5
199.07562	0.8
201.09111	5.8
202.06143	0.4
203.07066	1.3
203.17982	0.7
204.07817	3.8
205.04974	0.9
205.08597	3.7
207.10133	0.5
213.03972	0.8
213.09097	1.3
215.07092	0.8
217.08604	1.3
219.10181	48.3
229.15903	0.4
231.04909	2.0
231.10143	1.5
233.07990	0.6
233.11734	1.4
245.08122	0.8
245.11711	1.4
246.32571	0.4
249.18538	0.6
261.11185	0.6
313.07056	0.8
331.11890	3.4
367.11774	4.7
369.13263	0.5
371.14951	5.9
380.11081	0.4
383.14914	0.6
384.15643	0.4
385.12531	5.2
385.16437	26.7
386.16800	0.5
397.16409	0.9
421.34485	0.4
427.17499	0.9
439.35828	3.4
633.21680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01865	1.8
55.05509	0.9
57.03430	0.7
59.04990	0.7
67.05499	2.2
68.99790	1.4
69.03430	2.6
69.07056	1.2
70.06585	0.8
71.04996	1.0
71.55641	0.7
72.08159	1.8
74.21883	0.6
76.38351	0.5
79.05489	1.5
80.40742	0.5
81.03414	3.4
81.07057	2.3
85.02914	3.2
87.00813	1.3
91.05482	2.1
93.07062	2.0
95.04980	1.8
95.08597	1.8
97.02888	2.0
97.06566	1.2
98.09674	0.8
99.04499	0.6
105.01894	0.7
105.03368	0.8
105.05924	0.7
105.07024	2.0
107.08589	1.9
107.18632	0.6
109.02885	2.1
109.06541	0.8
109.10149	1.9
116.61521	0.6
119.04981	0.7
119.08595	2.1
121.10177	2.1
123.08115	0.7
127.03918	2.0
133.10143	1.5
135.04359	0.7
135.11687	0.8
137.02306	0.8
141.01836	7.2
143.08525	0.9
145.10144	1.1
147.04390	2.2
147.11699	0.7
149.58548	0.5
150.03136	0.9
153.05481	5.7
157.10069	0.9
159.07990	0.8
163.03935	1.3
165.01852	30.0
165.05505	1.3
177.05551	0.7
183.02908	21.0
183.04521	1.3
219.10161	2.3
241.04973	0.7
276.77545	0.7
296.03210	6.4
311.05515	12.0
312.06030	0.6
314.04214	4.9
329.06567	100.0
330.06934	2.9
385.12811	36.5
386.13095	1.2
585.89703	0.7
633.41278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
53.04141	0.2
55.01876	2.1
55.05502	0.4
57.03426	0.5
61.02935	0.4
67.05489	0.6
68.99791	0.8
69.03440	3.4
69.07034	0.2
69.40656	1.9
70.06590	0.2
71.04995	0.3
72.08143	0.5
73.02906	0.7
79.01842	0.2
79.05486	0.6
81.03422	4.0
81.07049	0.7
85.02915	4.7
87.00848	2.4
91.05482	0.7
92.99760	0.3
93.07027	0.8
95.04963	0.3
95.08593	0.9
97.02905	2.5
99.00856	0.6
99.04484	1.1
105.01888	1.2
105.03415	0.2
105.07019	0.6
107.08589	0.8
109.02895	2.7
109.10149	0.6
117.01858	0.5
119.08580	0.8
121.10143	0.5
123.00809	0.4
123.08033	0.4
127.03935	2.6
129.01851	0.4
131.08530	0.3
133.02850	0.7
133.10162	0.5
135.08031	0.3
135.11676	0.3
137.02338	1.0
137.09673	0.3
141.01840	6.6
143.08585	0.3
145.04967	0.7
145.10141	0.4
147.04460	0.4
147.11679	0.3
150.03168	1.1
153.05478	0.7
159.02916	1.4
163.03867	0.3
165.01848	31.0
166.02283	0.4
173.13214	0.4
175.82399	0.2
177.16446	0.2
183.02904	18.9
203.10788	0.2
219.10315	0.3
230.05756	0.3
231.04869	0.3
296.03149	6.3
311.05515	12.6
313.03403	0.3
314.04208	4.3
329.06564	100.0
330.06927	2.3
362.48453	0.2
385.12830	41.5
386.13116	1.1
388.96146	0.3
451.16946	0.2
532.95624	0.3
556.33063	0.2
577.11462	0.3
590.09918	0.3
633.17535	0.9
633.41479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01877	10.1
55.05516	100.0
57.03441	10.4
57.03680	1.8
57.07075	4.7
59.05016	9.4
65.03947	3.9
66.82394	2.1
67.05508	95.6
69.03434	9.4
69.07072	23.7
70.06599	2.1
71.01361	5.5
71.05003	6.6
71.08630	2.0
71.32892	1.9
71.56925	2.1
73.02926	4.3
79.05495	39.7
81.03423	21.0
81.06580	3.0
81.07062	50.2
83.04977	14.0
83.08621	37.6
85.02915	29.4
85.06527	3.9
87.04473	12.8
90.67088	2.0
91.05476	24.3
93.07046	17.7
95.04968	8.9
95.08606	16.8
97.02917	3.6
97.06550	7.5
97.10176	73.1
98.09671	5.6
103.03974	2.1
105.07047	12.3
107.04937	2.8
107.08606	26.3
109.06500	4.8
109.10160	67.2
111.04442	2.9
111.08100	4.6
117.07053	5.8
119.08575	14.0
121.10165	8.0
123.04401	2.3
125.06019	3.2
125.09640	72.1
127.03897	3.3
129.07024	2.4
131.08571	7.1
133.10138	6.2
135.11716	6.8
137.09621	5.8
137.91049	1.7
143.10706	8.1
145.10179	12.0
146.35013	2.0
147.08043	3.6
149.09648	3.7
153.12767	5.3
155.10698	8.8
157.10109	3.5
157.12227	4.2
162.77888	1.9
163.11205	16.5
167.10664	2.3
173.09572	4.3
173.10088	2.8
173.11757	58.5
181.12302	4.5
187.13286	10.1
191.10693	5.1
193.12314	9.8
199.13319	3.5
207.13792	2.3
209.11768	6.5
225.14915	2.8
227.12831	3.5
446.76859	1.9
499.30307	2.2
632.47186	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	631.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.6
57.07080	100.0
58.04213	10.1
59.05006	43.1
60.04527	2.8
67.05521	12.0
69.03442	2.8
69.07069	11.3
69.90911	14.1
71.04990	3.9
71.08637	97.2
72.05787	20.5
73.02917	12.6
73.06554	32.3
79.05485	3.0
81.07064	14.8
82.07817	5.3
83.04963	3.8
83.08618	7.3
85.06525	2.9
85.10192	81.3
87.04474	38.9
87.54327	2.6
89.06038	55.4
90.01928	64.5
91.05494	6.1
93.07037	5.5
95.04970	4.5
95.08630	7.0
97.10155	2.4
99.11723	7.3
101.06016	3.6
103.07594	25.6
105.07030	7.7
107.07096	3.2
107.08585	8.9
109.06522	3.9
109.10147	7.5
111.11667	2.6
112.58820	2.7
114.09189	2.5
116.08347	7.6
117.07005	3.2
117.09146	27.2
119.08562	5.7
121.10110	4.7
123.08076	2.6
125.48238	2.5
131.07045	6.5
133.08601	19.0
133.10141	10.7
137.09607	4.3
138.14093	2.8
141.16380	6.2
145.10162	2.7
146.81036	2.8
147.08043	2.8
147.10155	6.7
157.10199	3.9
161.11748	6.7
169.15909	7.6
173.13289	2.8
175.09633	3.4
177.11226	7.3
178.07079	8.8
181.12260	3.7
191.14326	7.6
194.13925	5.0
198.19823	3.9
199.20580	4.7
208.15407	6.2
209.15335	3.0
221.15422	2.9
222.09622	15.1
222.16992	6.3
223.15285	4.7
224.14873	3.5
238.16454	3.2
243.23280	7.2
252.18140	6.6
253.16473	2.5
266.12308	4.9
266.19699	4.9
268.17978	3.3
271.16324	3.1
282.19122	2.8
285.17703	4.8
296.20633	7.8
310.22327	9.8
326.21725	6.1
340.23242	3.0
348.31064	7.4
356.22772	3.2
392.33899	7.0
405.05603	2.7
416.21268	7.1
436.36502	4.6
452.36118	3.9
480.39063	27.5
631.44092	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	631.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.5
53.03946	1.1
55.01868	0.6
55.05516	2.9
57.03432	0.7
57.07070	0.8
59.04991	0.6
60.39739	0.3
65.03947	1.9
67.05508	11.9
69.03435	4.2
69.07073	2.5
71.04993	4.2
79.05495	7.4
81.03416	5.5
81.07059	9.4
83.04982	2.3
83.08620	1.4
85.02905	2.0
85.06548	1.8
91.05488	6.0
93.07053	9.9
95.04972	100.0
95.08615	7.0
96.05314	0.5
97.02902	2.8
97.06538	1.4
97.10172	0.4
99.04459	20.4
99.08080	0.5
100.11257	0.4
105.07030	6.6
107.04933	1.0
107.08602	5.2
109.02876	1.8
109.06516	3.5
109.10162	14.0
111.04439	0.6
111.08087	1.8
113.06031	0.4
113.09676	0.3
115.03919	0.5
115.07542	0.8
117.07018	2.4
119.08588	5.0
121.06501	1.3
121.10156	5.8
123.08077	2.6
123.11715	1.3
125.09677	0.9
127.03907	1.2
129.06999	1.3
131.08566	4.0
133.06566	0.5
133.10141	6.7
135.08047	2.3
135.11732	3.0
137.05981	0.9
137.09604	2.7
141.07068	0.3
143.08577	1.4
145.10114	2.9
147.08051	1.2
147.11670	1.8
149.05980	0.4
149.08430	0.4
149.09630	9.6
149.13287	1.6
151.07559	1.6
151.11241	1.9
153.09113	29.4
155.08566	0.8
156.09332	0.4
157.10123	1.4
159.08047	0.7
159.11681	1.9
161.09624	0.5
161.13261	0.7
163.11206	1.1
163.14771	0.8
165.09106	0.5
165.12817	0.7
167.10684	0.6
169.10170	1.0
171.11693	1.3
173.11893	0.7
173.13269	4.8
175.14832	0.6
179.08432	0.5
179.14290	0.8
181.10176	0.5
181.12241	0.4
183.11653	0.5
185.05907	0.4
185.09711	0.5
185.13249	0.7
187.11247	0.5
187.14774	0.7
189.12785	0.6
191.14314	8.3
193.15910	3.3
195.10086	0.6
195.11768	0.6
197.13290	0.7
203.14346	0.6
209.15376	50.2
210.15692	0.5
211.14928	0.6
215.14268	0.5
221.13429	0.5
221.15367	1.6
233.15422	0.6
243.10072	0.5
251.16464	0.4
261.22101	0.9
387.25626	0.7
513.74036	0.4
599.40466	0.5
613.40680	0.8
631.41705	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	631.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78071	0.7
53.03939	1.9
53.08397	0.6
55.01860	2.0
55.05505	2.1
57.03427	1.6
57.07072	0.9
67.05500	2.1
68.99799	0.9
69.03436	10.6
69.07060	2.7
70.06576	2.0
71.04988	1.4
71.55314	0.8
73.02909	1.4
73.91943	0.6
79.05486	3.9
81.03421	6.8
81.07066	3.3
83.04957	1.0
83.08624	4.3
85.02910	10.2
85.62348	0.6
87.00811	3.8
91.05464	3.8
93.07035	1.4
95.04966	1.9
95.08623	1.3
97.02905	5.6
97.10182	1.3
99.04459	2.6
103.05492	0.7
105.01850	1.8
105.03420	0.8
105.07031	4.0
107.04942	2.3
107.08608	1.9
109.02894	8.4
109.06604	0.8
109.10135	1.8
110.03653	1.4
111.04460	0.9
113.83667	0.7
115.05469	1.5
117.01870	0.6
117.07015	1.4
117.96533	0.6
119.04963	2.0
119.08585	2.7
121.06519	1.6
121.10140	0.8
123.04468	1.0
125.06004	2.0
127.03914	9.6
128.06241	2.4
129.07001	2.7
131.04974	1.0
131.08609	1.6
131.85611	0.6
133.02843	2.1
133.06471	0.9
133.10139	2.9
135.11662	1.1
137.05981	1.1
137.09619	0.9
138.03127	8.4
141.06898	0.6
143.08575	2.8
145.04973	0.9
145.06476	1.9
145.10120	1.2
146.07275	3.0
147.04420	8.4
147.08018	1.8
147.11688	1.0
148.05295	0.8
153.05475	100.0
155.08533	0.8
157.06477	1.6
157.10178	0.7
159.02895	2.1
159.04282	0.7
159.08110	1.1
159.11723	0.7
161.06087	1.4
161.09653	2.1
163.03928	2.0
163.07549	2.9
165.05489	2.0
171.08032	3.4
172.08884	1.1
173.06026	2.3
173.09694	1.5
174.06778	3.7
175.07506	3.9
177.05482	2.9
179.07062	8.1
180.24377	0.7
183.08058	1.1
185.05939	1.2
187.07550	2.2
188.08298	2.7
189.03986	1.0
189.05458	4.5
189.09122	2.9
191.06993	1.7
191.10631	1.2
199.07542	3.1
200.08389	1.0
201.05438	3.3
201.09065	1.9
202.06310	5.1
203.07030	11.3
204.07779	2.2
205.08591	1.7
211.07573	2.6
212.08563	0.7
213.05475	2.5
215.07071	3.4
215.10703	2.5
216.07825	6.9
217.05052	3.2
217.08612	60.5
218.09355	5.5
219.06624	1.4
219.10141	6.3
225.09055	1.0
228.07884	4.3
229.08641	3.8
230.09280	1.0
231.06657	15.3
231.10158	36.1
233.08049	1.8
233.11737	2.1
243.06607	2.3
243.10146	7.3
257.11734	0.8
259.09656	1.0
277.10706	2.6
307.09631	0.6
321.11377	0.7
349.06976	1.1
350.07901	2.5
351.12289	2.4
353.10406	0.9
365.10211	14.2
365.14377	0.7
365.28574	1.3
366.29388	0.8
368.12405	1.1
382.53561	0.8
383.11017	19.4
383.14948	51.8
384.15469	1.1
395.14734	1.0
397.16422	3.5
403.13745	0.8
407.15073	0.7
421.14990	2.8
425.15707	1.2
545.20270	2.2
599.25024	0.9
613.18738	1.0
631.20306	20.1
631.30994	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	631.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01864	1.1
55.05509	1.0
57.03431	1.0
59.71872	0.4
61.02913	0.7
62.20607	0.5
63.22245	0.4
65.03944	1.0
67.05501	1.1
68.99801	1.1
69.03433	6.9
69.07061	1.1
70.06593	1.6
71.04984	1.2
71.55564	0.6
71.55959	0.4
73.02911	1.2
76.84368	0.4
78.14047	0.4
79.05492	2.7
81.03422	6.3
81.07056	2.2
82.04178	0.7
83.08628	0.8
85.02905	6.7
85.13340	0.5
87.00856	2.4
87.04463	0.6
91.05471	1.8
92.72421	0.4
93.07031	1.2
95.04955	1.5
95.08617	1.2
97.02901	3.8
97.06544	0.8
97.10136	0.6
99.04443	2.3
102.51612	0.4
105.01842	1.4
105.07034	2.6
107.04951	1.9
107.08589	1.1
109.02880	5.0
109.10172	1.1
110.03664	1.9
111.04433	0.8
115.05398	0.6
119.08605	1.6
121.10139	1.1
123.04424	1.2
123.11658	0.6
125.06012	2.3
125.09656	0.5
127.03915	6.2
129.06984	1.3
131.08582	0.8
133.06499	1.0
133.10133	1.0
135.04402	0.8
136.06157	0.4
137.05986	0.7
137.09628	0.7
138.03134	10.0
145.04950	1.4
145.06464	0.5
145.10133	0.9
147.04433	1.2
147.08051	2.4
150.09189	0.5
150.54961	0.5
153.05472	100.0
154.05827	0.9
157.10193	0.6
157.15819	0.4
159.02859	1.4
159.08075	1.0
159.11633	0.8
161.05974	0.8
163.03911	1.3
163.07521	1.0
165.05548	0.7
166.39569	0.5
175.04053	0.6
175.07552	1.2
177.05457	1.5
179.07065	0.9
179.08475	0.8
185.05992	1.2
187.06061	0.5
187.07590	1.5
189.05446	1.7
191.07071	0.9
193.04854	0.6
201.05467	0.5
202.06212	0.8
203.03429	2.3
203.07079	2.0
205.04886	0.7
210.52710	0.5
215.07031	3.2
216.04182	2.8
217.04988	12.7
217.08504	5.2
223.85620	0.5
231.06540	60.5
231.10226	2.7
232.06757	0.7
235.05983	0.8
243.06569	9.4
249.08914	0.6
251.06856	0.5
265.08655	0.7
277.08444	0.8
281.08102	0.9
293.08121	1.1
294.08759	0.7
305.07980	1.4
307.05887	1.1
321.07590	0.6
322.08331	2.2
334.08047	0.5
335.05615	2.2
337.10645	1.3
337.14346	0.8
349.06851	3.3
350.07883	11.3
355.11404	0.9
365.10199	64.9
366.10651	1.1
383.11185	68.5
383.14752	3.8
384.11530	1.3
407.11148	0.7
545.16248	3.1
569.16479	1.2
587.17218	1.5
613.15466	5.7
631.16461	10.4
631.31415	1.4
632.17200	0.5
658.20898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03946	1.7
53.11724	0.4
55.01867	1.0
55.05515	1.0
57.03426	1.4
57.92604	0.4
59.52254	0.5
61.02928	0.8
65.03935	1.2
67.05498	1.4
68.99789	0.7
69.03436	7.3
69.07079	1.1
69.25554	0.5
70.06593	1.1
70.77859	0.6
71.01338	0.5
71.04991	1.3
73.02910	1.7
79.05495	2.7
81.03423	6.6
81.07056	1.5
82.04205	0.6
83.04994	0.6
83.08598	0.7
85.02913	6.2
87.00831	1.7
89.05999	0.5
91.05492	2.1
93.03402	0.5
93.07050	1.5
95.04963	1.4
95.08627	0.8
97.02906	4.5
97.06536	1.0
98.06900	0.5
99.04468	1.7
105.01863	1.0
105.07050	2.5
107.04937	1.3
107.08566	1.3
109.02881	5.1
109.10189	0.5
110.03651	1.6
111.04437	0.8
117.01817	0.5
117.07010	1.0
119.04850	0.5
119.08586	2.1
121.06534	0.7
121.10164	0.9
123.04414	1.7
125.05978	1.8
125.98767	0.4
127.03927	6.4
128.06276	0.8
129.01849	0.9
129.07004	0.8
131.04854	0.6
131.08563	1.0
133.02805	0.8
133.06499	0.7
135.04437	0.4
135.11740	0.4
136.06137	0.4
137.05904	0.9
138.03122	12.8
143.08562	0.9
145.04988	1.9
145.10126	0.8
146.07394	0.4
147.04393	1.6
147.08023	2.4
147.11667	0.4
149.05997	0.9
149.99890	0.4
153.05473	100.0
154.05818	1.0
157.06499	0.8
159.02933	1.7
159.08060	1.0
160.05223	0.6
161.05956	0.8
163.03912	0.9
163.07500	0.7
165.05460	0.8
167.07062	0.6
171.08064	0.5
174.06815	1.2
175.03963	0.6
175.07593	1.3
177.05472	1.1
185.06000	1.1
187.05989	0.9
187.07573	1.6
189.05502	1.2
189.09206	0.6
191.07094	1.1
193.04892	0.8
195.06573	1.2
201.05415	0.9
202.02592	0.8
203.03418	1.5
203.07033	2.0
213.05568	0.6
213.97131	0.4
215.06996	3.7
216.04257	2.8
216.07793	0.7
217.04994	12.7
217.08534	6.7
228.03975	0.6
228.07814	0.7
229.08740	0.4
231.06544	59.9
231.10216	3.0
232.07033	0.7
235.06044	1.3
243.06546	9.6
249.09006	0.5
265.08673	1.1
276.07883	0.5
277.08337	0.7
281.08124	0.6
293.08142	0.8
294.09070	0.7
305.08167	1.0
307.06119	0.8
321.07584	0.6
322.08295	2.0
333.07462	0.5
335.05447	2.2
337.10696	1.6
337.14493	0.7
349.07184	4.4
350.07886	12.6
351.08118	0.6
355.11880	1.0
365.10217	62.6
366.10544	0.8
383.11191	64.6
383.14706	3.7
384.11545	1.7
397.12845	0.6
407.11136	1.2
425.12387	0.5
454.22754	0.6
527.15240	1.3
545.16412	3.0
569.16431	1.7
587.17133	1.6
599.25275	0.5
613.15533	5.4
631.16449	11.4
631.31140	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
54.96549	2.0
55.01867	9.2
55.05516	42.5
57.03231	2.0
57.03445	22.5
57.07083	11.2
64.95136	1.9
65.03948	5.6
67.05513	99.6
69.03423	2.9
69.07080	42.4
69.23519	2.1
69.67839	13.2
70.07399	2.4
71.04993	7.0
71.08633	4.0
79.05500	58.0
81.03419	3.4
81.07066	100.0
83.04972	7.6
83.08634	26.5
85.06546	3.6
85.10199	2.2
90.06499	2.3
91.04909	2.4
91.05482	47.0
91.07170	2.0
93.06467	3.9
93.07056	67.5
95.04998	11.9
95.08620	76.0
97.06548	10.5
97.10178	15.9
98.20829	3.5
99.08097	6.8
104.73454	1.9
105.04521	2.3
105.06385	4.0
105.07040	56.5
107.04951	6.1
107.08606	48.5
109.06508	9.2
109.10168	33.0
111.08089	5.2
111.11739	2.5
113.09653	2.7
117.07048	19.4
119.07798	3.6
119.08597	45.9
121.06505	3.8
121.10165	26.0
123.08086	5.3
123.11725	9.2
125.09655	5.9
127.07512	2.3
129.07036	11.5
131.08588	32.2
133.08649	2.6
133.10135	36.5
135.08104	2.6
135.11707	16.1
137.09676	4.0
137.13304	3.6
139.11249	2.6
141.07036	4.8
142.07805	3.3
143.08560	17.1
145.10130	35.8
147.11699	22.1
149.09596	7.4
149.13297	8.3
151.07550	2.4
155.08562	5.6
157.10126	10.5
159.11697	25.7
161.09557	2.5
161.13293	10.7
163.11171	5.4
163.14819	4.6
165.12750	3.4
167.08571	3.2
169.10124	5.3
171.11708	13.7
173.11984	2.3
173.13268	13.2
175.14864	7.4
183.11681	7.2
185.13271	16.8
187.14839	9.1
189.16444	4.4
197.13306	5.3
199.14803	4.8
201.16446	7.5
203.14284	5.2
203.17967	3.8
205.15822	8.0
207.13852	2.2
209.13246	2.8
211.14827	4.1
213.16422	2.7
215.18111	4.5
219.17400	15.0
223.14984	2.3
225.16504	2.6
227.12790	3.9
229.19623	3.3
233.15497	2.4
239.17949	3.9
243.21220	2.5
245.22693	2.8
257.19006	10.1
275.20081	32.3
277.21677	2.9
285.22141	2.5
291.19717	2.3
293.21082	4.6
331.22699	2.9
335.25735	4.7
337.27411	32.9
349.23837	17.6
433.33209	2.5
517.39014	16.8
519.42126	6.0
529.39307	2.1
531.40533	3.7
537.42896	5.3
541.41888	2.6
543.40308	3.5
557.42218	18.3
593.45184	3.5
611.46710	52.9
629.38287	4.2
629.47760	47.5
629.57251	1.9
630.48090	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	629.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35545	1.9
53.03944	6.7
55.01870	6.2
55.05515	30.3
57.03444	11.3
57.07072	11.9
57.61822	1.9
59.04988	5.3
65.03928	5.5
67.05508	88.8
68.05850	3.0
69.07076	30.8
70.08625	6.2
70.09031	4.4
71.04995	2.8
71.08636	52.7
71.57790	2.0
79.05495	71.1
81.03418	6.8
81.07061	92.7
81.09540	1.9
82.07409	4.0
83.04993	6.6
83.08617	18.7
85.06548	4.7
85.10194	4.8
89.06025	4.2
89.38006	2.2
90.01913	4.0
91.05486	54.5
92.05820	3.5
93.07050	94.0
93.40285	1.9
95.04970	13.4
95.08612	66.2
96.08922	3.6
97.06547	11.9
97.10178	7.7
99.08098	36.5
105.07032	48.5
106.07378	4.1
107.04973	11.0
107.08602	46.6
109.06534	4.6
109.10156	26.9
111.08113	4.6
113.09666	4.8
115.05527	2.5
117.07024	15.8
118.21511	1.9
119.08585	39.4
121.06467	2.7
121.10149	39.2
123.08047	5.3
123.11740	5.9
129.07011	9.1
131.08589	30.9
133.08589	4.1
133.10130	21.1
135.08078	3.8
135.11682	29.1
137.09631	4.8
137.13286	3.7
141.09105	3.7
142.07837	2.0
143.08559	9.5
145.10127	25.5
147.11705	16.4
149.09677	4.1
149.13271	21.5
151.11174	15.4
155.08571	3.3
157.10161	7.6
159.11703	14.5
160.12073	2.8
161.13263	20.2
163.11180	5.6
163.14844	6.6
165.12677	2.7
167.10675	2.7
169.10139	5.0
171.11723	8.9
173.11832	3.7
173.13295	12.4
175.14833	6.0
177.12671	3.1
177.16411	2.8
179.14322	53.1
183.11729	3.3
185.13281	5.4
187.14851	7.1
189.12848	3.9
191.10632	2.2
197.13293	2.1
199.14835	3.9
201.16374	2.6
202.00299	2.0
213.16478	4.5
215.17938	2.1
217.15964	2.7
219.17436	4.7
220.17825	2.6
221.15445	2.2
233.22739	2.8
235.16922	2.3
241.19577	5.3
243.21111	16.4
259.20569	6.7
261.22220	16.0
275.20078	5.2
276.20490	4.9
277.18784	3.9
277.21661	57.9
291.19781	3.5
295.22647	4.8
299.23639	2.8
317.24689	10.9
325.25748	2.2
335.25806	46.7
336.26120	4.4
337.26810	3.3
349.24057	2.7
351.25266	48.1
437.34341	4.9
438.36072	2.3
439.35559	5.8
443.89172	2.5
457.36658	4.7
513.39294	11.7
515.37268	8.1
529.39020	5.5
531.40283	4.5
537.42938	3.1
555.44287	2.4
593.46271	2.8
611.46594	100.0
612.46808	4.5
629.47571	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83061	3.5
55.01865	9.4
55.05515	54.1
57.03421	11.5
57.07088	29.4
58.07419	3.5
59.00485	3.1
59.04984	3.9
67.05508	94.5
69.07065	37.0
69.21357	10.5
69.21773	24.9
71.08635	36.1
73.06565	6.3
75.04459	3.8
76.14889	3.5
79.05494	50.3
81.03394	13.2
81.07061	79.9
83.08635	31.7
85.06503	5.4
85.10155	10.1
87.04439	9.1
87.38136	3.4
88.46194	3.8
89.06038	55.7
90.06346	7.8
91.05489	38.9
92.05793	4.2
93.07050	49.8
95.04947	10.2
95.08611	47.9
97.06504	11.1
97.10165	18.6
98.21510	8.3
99.08083	8.8
105.07036	47.4
107.04944	4.4
107.08589	32.8
109.06504	5.1
109.10156	36.1
111.08072	6.9
117.07010	21.7
117.09109	5.1
119.08575	37.8
121.10122	15.2
123.08086	3.5
123.11703	13.3
125.09618	12.5
128.98619	3.6
129.06995	11.3
131.08583	39.4
133.08620	25.5
133.10097	25.9
134.08980	5.6
135.08034	3.9
135.11681	14.5
136.11993	4.3
143.08533	17.8
145.10124	31.7
147.11682	14.5
149.13216	12.1
155.62764	3.8
157.10146	11.9
159.11707	14.8
161.13243	14.0
163.11224	3.6
165.12805	5.8
169.10069	6.7
171.11711	13.8
173.11800	7.2
173.13220	8.0
175.14859	8.3
177.11223	10.8
183.11647	8.0
185.13278	8.7
187.13304	4.0
187.14798	10.8
189.11189	5.8
197.13210	8.3
199.14766	12.0
201.16367	6.5
211.14705	5.5
213.16344	5.4
215.17918	4.0
227.12747	8.9
229.19565	3.9
243.15947	4.6
261.22186	6.3
275.19958	7.4
277.21564	7.5
312.39410	3.7
335.25797	6.5
351.24878	8.4
369.31345	10.0
383.33032	6.9
385.34482	4.9
387.32358	3.9
423.32849	4.9
439.35635	4.6
466.80325	4.6
506.05515	3.6
515.37299	33.9
519.41595	5.8
529.38672	7.6
537.43073	7.5
555.43530	6.0
611.46448	66.2
612.46863	7.9
629.47778	100.0
630.47302	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	629.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.9
57.03424	5.2
57.07081	100.0
58.04213	6.9
59.05006	47.4
65.40714	1.8
67.05511	14.9
69.07059	7.7
69.33183	17.3
71.08640	68.6
71.70509	2.1
72.05775	7.4
73.02907	3.9
73.06557	6.6
79.05492	7.7
80.21512	2.5
81.07091	13.6
83.08615	4.0
85.10191	59.4
87.04469	7.6
87.34772	2.3
89.06039	9.1
89.43102	2.1
90.01933	22.2
90.21923	2.1
91.05479	6.1
93.07034	6.2
95.04973	2.6
95.08611	8.9
97.10178	5.3
99.11743	7.6
103.07575	4.1
105.07033	7.6
107.08611	6.6
109.10172	4.5
111.11736	2.8
113.13287	3.9
117.09144	13.0
119.08564	4.6
131.08614	4.1
133.08615	4.1
133.10176	4.1
145.10147	2.9
147.11678	4.1
152.15556	2.7
155.17967	8.1
157.10005	2.7
173.13190	2.6
178.07140	3.3
183.17444	4.1
209.13686	2.0
213.22162	10.6
222.09735	5.0
228.20610	2.3
232.85187	2.1
271.26230	13.6
276.20581	2.1
295.21356	2.9
337.27002	2.9
345.30469	2.3
478.40863	6.6
494.40778	2.1
520.19299	2.1
611.44421	3.9
629.29224	2.5
629.47192	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	629.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83061	3.5
55.01865	9.4
55.05515	54.1
57.03421	11.5
57.07088	29.4
58.07419	3.5
59.00485	3.1
59.04984	3.9
67.05508	94.5
69.07065	37.0
69.21357	10.5
69.21773	24.9
71.08635	36.1
73.06565	6.3
75.04459	3.8
76.14889	3.5
79.05494	50.3
81.03394	13.2
81.07061	79.9
83.08635	31.7
85.06503	5.4
85.10155	10.1
87.04439	9.1
87.38136	3.4
88.46194	3.8
89.06038	55.7
90.06346	7.8
91.05489	38.9
92.05793	4.2
93.07050	49.8
95.04947	10.2
95.08611	47.9
97.06504	11.1
97.10165	18.6
98.21510	8.3
99.08083	8.8
105.07036	47.4
107.04944	4.4
107.08589	32.8
109.06504	5.1
109.10156	36.1
111.08072	6.9
117.07010	21.7
117.09109	5.1
119.08575	37.8
121.10122	15.2
123.08086	3.5
123.11703	13.3
125.09618	12.5
128.98619	3.6
129.06995	11.3
131.08583	39.4
133.08620	25.5
133.10097	25.9
134.08980	5.6
135.08034	3.9
135.11681	14.5
136.11993	4.3
143.08533	17.8
145.10124	31.7
147.11682	14.5
149.13216	12.1
155.62764	3.8
157.10146	11.9
159.11707	14.8
161.13243	14.0
163.11224	3.6
165.12805	5.8
169.10069	6.7
171.11711	13.8
173.11800	7.2
173.13220	8.0
175.14859	8.3
177.11223	10.8
183.11647	8.0
185.13278	8.7
187.13304	4.0
187.14798	10.8
189.11189	5.8
197.13210	8.3
199.14766	12.0
201.16367	6.5
211.14705	5.5
213.16344	5.4
215.17918	4.0
227.12747	8.9
229.19565	3.9
243.15947	4.6
261.22186	6.3
275.19958	7.4
277.21564	7.5
312.39410	3.7
335.25797	6.5
351.24878	8.4
369.31345	10.0
383.33032	6.9
385.34482	4.9
387.32358	3.9
423.32849	4.9
439.35635	4.6
466.80325	4.6
506.05515	3.6
515.37299	33.9
519.41595	5.8
529.38672	7.6
537.43073	7.5
555.43530	6.0
611.46448	66.2
612.46863	7.9
629.47778	100.0
630.47302	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	629.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26618	0.6
51.03112	0.6
55.05508	2.3
57.07079	1.7
67.05502	2.7
69.07074	2.1
69.43487	0.6
70.15863	1.3
70.16263	1.3
71.08617	1.4
79.05503	2.6
81.07054	2.0
83.04977	0.9
83.08624	1.1
89.06043	1.3
91.05492	1.5
93.07056	2.3
95.05019	1.2
95.08575	1.6
105.07057	1.6
107.08585	1.7
107.11131	0.8
109.10168	1.8
119.08595	1.4
121.10144	1.1
131.08586	1.4
133.10173	1.1
145.10153	2.0
147.11731	1.2
159.11719	0.9
198.29221	0.7
260.68207	0.7
283.22791	0.8
410.13223	0.9
411.14771	1.0
412.15134	0.8
424.15259	1.8
425.16083	5.2
426.16876	2.6
427.17593	2.0
438.16913	1.9
439.17902	9.7
440.18408	7.4
441.18793	2.4
442.20215	2.1
452.14175	5.3
453.15451	28.2
454.15536	2.6
454.20203	3.2
455.20917	33.6
456.21210	4.2
465.15158	1.1
466.15912	3.8
467.16974	34.7
468.17499	10.4
470.15363	1.3
481.18607	10.1
482.19138	63.6
483.19632	4.8
484.16965	1.3
485.18237	1.6
495.20557	1.3
499.19742	1.5
500.20377	0.9
509.22095	1.1
510.21646	1.0
511.19159	0.9
513.21423	1.3
514.21686	2.5
523.21545	1.8
525.22668	1.6
526.22626	1.4
528.23792	2.6
541.24908	4.1
553.22070	12.2
554.21570	2.1
569.24005	81.0
570.24170	6.4
586.23334	1.0
590.14282	0.8
597.23254	2.5
600.22351	1.4
601.26471	3.7
611.46558	0.9
629.25775	100.0
630.25836	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	629.2245
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
52.72631	0.6
63.05100	0.7
71.35223	1.0
73.77965	0.6
80.93074	0.6
81.07132	0.7
88.64107	0.7
90.76185	0.6
98.33240	0.6
180.76117	0.6
396.12402	1.2
397.13181	1.8
398.13828	1.0
399.14706	0.9
400.15448	1.1
410.13803	4.0
411.14529	7.2
412.15247	5.1
413.16205	4.2
414.16925	0.9
423.10220	1.1
423.15201	1.3
424.11005	1.5
424.15601	2.8
425.16281	14.9
426.16937	9.3
427.17804	2.2
428.18515	4.5
438.13486	4.3
439.13651	19.5
440.19089	8.5
441.19290	40.3
442.19812	2.0
443.17120	0.8
452.14359	4.2
453.15408	22.5
454.15686	5.6
456.18176	1.5
457.15424	1.2
457.76001	0.7
463.14130	0.9
467.17184	27.5
468.17975	21.2
469.18738	11.0
470.18906	1.0
471.16876	2.5
480.17615	0.9
481.14600	9.5
482.15817	2.9
484.21722	3.9
485.17581	1.9
486.18774	1.0
494.19025	0.9
495.16537	2.2
496.17148	11.7
497.17691	1.2
498.19400	1.4
499.19867	1.5
500.20642	4.7
509.18808	1.1
512.20715	2.7
513.22168	4.8
523.20032	1.5
526.18433	1.3
528.19897	1.2
541.20862	47.6
542.21179	2.1
568.19141	1.1
569.20300	100.0
570.20679	5.1
572.19086	1.6
573.23682	4.0
597.19672	27.6
598.20245	0.9
600.22192	2.0
601.22974	13.1
615.20502	1.0
629.22223	63.7
630.22693	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	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	4.0
53.03948	7.0
55.01872	26.8
55.05513	42.6
57.03435	11.0
57.07064	5.8
59.05005	4.3
65.03947	5.0
67.05505	95.8
68.05824	2.3
68.46542	2.6
69.03418	5.7
69.06724	3.0
69.07072	37.9
69.47286	6.4
69.47703	12.3
71.04991	7.6
71.08630	6.1
79.05494	87.3
81.03428	6.0
81.07059	100.0
83.04988	9.6
83.08616	21.1
85.06528	6.5
85.71012	2.3
91.05479	65.6
93.07049	79.1
94.07355	3.2
95.04984	14.6
95.08611	67.9
97.06528	34.0
97.10159	14.6
99.08098	6.4
103.05427	3.8
104.07924	2.3
105.07037	65.7
107.04944	16.9
107.08595	58.7
109.06516	9.3
109.10159	34.3
111.08087	8.0
115.05466	4.0
117.07008	20.4
119.08584	48.9
121.06507	5.3
121.10147	27.0
123.08122	3.6
123.11727	15.9
125.09621	16.2
128.06253	3.7
129.06998	10.5
131.08572	32.0
133.10130	37.5
135.08066	7.6
135.11714	19.2
141.06999	6.4
142.07785	3.0
143.08539	14.4
145.06500	3.2
145.10124	38.8
147.11711	30.5
149.09608	21.6
149.13264	11.0
151.11214	3.5
155.08592	7.8
157.10133	16.4
159.11697	33.8
161.13261	16.5
163.11211	10.2
163.14896	4.9
169.10129	10.4
171.11696	11.6
173.09616	2.6
173.13266	13.6
175.14847	6.9
177.12764	2.6
179.14368	3.6
181.10088	5.2
183.11685	9.1
185.13313	12.6
187.11218	4.3
187.14825	8.9
189.11229	7.2
195.11583	3.7
197.13248	11.7
199.14876	7.0
201.16399	7.1
209.13141	3.1
211.14896	5.2
213.16365	3.8
215.17899	3.5
223.14850	2.8
225.16449	3.6
227.12711	12.1
227.18111	4.3
229.19440	4.4
239.17955	5.5
241.19548	8.2
243.21173	3.0
247.20786	2.7
249.72508	2.4
257.19092	7.2
259.20593	8.7
261.22427	4.9
273.18433	2.6
275.20071	72.0
277.21722	4.2
293.21219	7.6
297.21973	2.8
335.25781	49.3
349.23740	30.3
351.25812	2.8
367.29861	5.7
436.96320	2.6
502.06580	2.7
515.37128	10.2
517.40546	5.0
529.38892	5.0
535.41486	8.7
553.42493	5.9
555.40332	5.3
580.96204	2.6
591.43756	3.3
609.45117	71.2
627.46277	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	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.8
53.03946	8.5
55.01884	12.5
55.05522	41.4
57.03231	2.4
57.03444	25.5
57.07068	3.4
59.05014	2.6
65.03940	6.5
67.05511	93.9
69.03437	3.0
69.07073	34.1
69.54182	16.8
71.04984	6.5
71.05367	2.1
73.18432	1.9
73.20926	1.9
79.05064	4.7
79.05503	78.7
81.06584	4.8
81.07065	100.0
83.04987	9.9
83.08638	20.4
85.06551	8.0
90.32521	2.6
91.05489	72.9
93.06468	4.9
93.07056	82.7
95.05004	13.1
95.08614	84.2
97.06534	14.1
97.10195	12.3
98.21516	4.2
98.95327	2.1
99.08115	9.8
103.05449	3.5
105.07042	73.6
107.04950	6.4
107.08605	54.4
108.08939	2.6
109.06507	9.3
109.10170	32.1
111.08132	5.7
113.09676	5.8
114.47430	2.0
115.05499	3.9
117.07032	31.9
119.08595	58.7
121.10155	32.8
123.08067	4.7
123.11733	12.2
125.09685	11.6
128.06274	4.4
129.07027	21.3
130.07784	2.4
131.08583	53.7
133.10152	43.1
135.08072	6.2
135.11714	24.7
137.06223	2.1
137.09621	4.0
137.13321	3.3
139.11249	2.8
141.07008	6.1
142.07794	5.4
143.08577	26.3
145.10139	42.4
147.11714	26.1
149.09634	14.3
149.13287	13.1
151.11168	3.2
155.08580	14.3
156.09273	2.5
157.10152	25.4
159.11716	33.6
161.09689	3.9
161.13245	16.9
163.11211	8.6
163.14827	3.3
165.12785	3.4
167.08652	4.2
168.09297	2.2
169.10146	16.8
171.11745	21.5
173.13293	22.1
175.14841	5.9
177.12878	2.8
179.14397	3.2
181.10092	4.5
183.11746	16.4
183.75920	2.2
185.13275	22.9
187.14795	15.5
189.11218	3.1
190.13339	2.2
193.10350	2.2
195.11786	4.1
197.13303	10.0
199.14864	8.2
201.16429	8.4
203.14323	4.4
203.46143	2.4
205.15958	8.1
209.13330	7.4
209.15285	4.2
211.14835	6.2
213.16550	3.0
215.18069	3.2
219.17424	13.8
223.14906	4.3
225.16466	3.0
227.12871	4.2
227.18115	3.0
229.19597	4.7
237.16386	3.8
239.17989	5.8
241.19666	5.7
243.21184	3.3
257.19049	12.6
259.20697	9.4
261.22189	6.4
273.18597	3.2
275.20105	52.4
277.21716	5.0
285.22131	3.1
293.21152	3.5
299.23755	3.1
311.23737	2.5
315.23303	2.7
323.23798	2.9
331.22726	2.4
333.24292	5.1
335.25900	34.2
349.23688	23.5
351.25577	4.9
463.35941	4.8
515.37445	3.8
517.40302	5.7
529.38849	4.0
535.41382	9.5
541.38525	5.4
553.42572	4.7
555.40442	21.5
569.42621	2.7
591.43774	3.6
609.45172	64.3
627.46149	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	3.8
53.03943	8.4
55.01875	24.1
55.05518	38.7
57.03429	10.3
57.07070	6.1
65.03944	7.1
67.05510	100.0
67.05872	5.6
69.03434	5.5
69.07069	36.9
69.22400	5.8
69.22806	26.4
70.18151	3.1
71.04992	6.4
71.08622	4.7
71.09278	3.2
78.67024	2.9
79.05066	5.5
79.05497	77.6
79.38301	2.9
81.03416	6.9
81.07065	96.9
82.07407	3.5
83.04978	6.6
83.08637	19.6
85.06526	3.5
89.36440	2.9
91.05483	67.5
93.07058	67.9
95.04966	11.6
95.08059	5.7
95.08613	67.2
97.06542	25.5
97.10165	13.6
99.08076	5.7
103.05480	3.2
105.07034	64.2
107.04945	14.1
107.08600	57.6
108.08894	3.6
109.06513	10.4
109.10155	33.7
111.08082	10.6
117.07024	24.8
119.08577	47.8
121.10141	32.0
123.08057	7.2
123.11694	13.9
125.09654	8.5
129.07008	13.7
131.08583	31.1
133.10152	37.4
135.08061	6.8
135.11732	17.9
137.09636	4.8
137.13193	4.4
141.07034	3.6
143.08568	17.3
145.10117	33.0
147.11703	25.7
147.51920	3.3
149.09621	23.9
149.13266	8.8
151.11194	4.5
155.08594	4.2
157.10187	17.0
159.11705	29.0
161.13264	11.1
163.11163	13.2
163.14809	5.3
169.10106	8.1
171.11743	14.9
173.13246	10.7
175.14769	7.2
177.12903	3.4
179.14322	3.5
183.11723	11.3
185.13268	13.3
187.14850	6.5
189.11255	7.8
195.11661	4.5
197.13226	6.9
199.14766	6.8
201.16364	5.0
205.12056	2.8
209.13223	3.4
209.67760	2.8
211.14844	4.6
213.16357	4.1
217.15695	3.2
227.12773	8.7
239.17889	3.6
243.20949	3.0
257.18988	6.7
259.20636	8.3
261.22177	6.3
275.20053	66.2
275.52011	3.0
277.21735	4.6
293.21094	7.2
333.24246	3.2
334.62503	3.5
335.25839	41.7
349.23672	26.6
351.25256	3.3
382.22064	3.1
441.33371	4.1
514.37268	3.2
515.36682	6.8
517.40332	4.4
529.38538	3.9
535.40918	7.9
553.42615	7.3
609.45111	74.3
627.36670	5.7
627.46002	74.8
630.83173	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	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.8
53.98946	1.9
55.01873	12.8
55.05511	36.9
57.03436	10.5
57.07066	2.8
65.03964	6.1
67.05506	100.0
69.03438	3.2
69.07063	31.3
69.42986	7.2
69.43418	9.9
71.03036	2.1
71.05003	5.0
71.08632	4.2
79.05497	79.8
81.03418	5.1
81.07057	99.0
83.05006	8.0
83.08621	21.1
85.06554	3.1
91.05486	62.9
93.07049	76.6
93.07623	4.2
95.04979	10.4
95.08608	65.0
97.06520	19.6
97.10168	10.5
99.08126	4.3
103.05483	4.3
105.07025	53.6
105.07658	3.2
107.04975	11.9
107.08599	47.8
107.09280	3.2
109.06515	10.0
109.10159	32.2
111.08169	4.2
112.30024	2.0
113.09669	2.2
117.07026	20.1
119.08582	39.1
119.09344	2.5
121.06554	3.2
121.10151	33.2
121.10934	3.3
123.08134	5.2
123.11702	14.1
125.09685	8.8
128.06241	2.7
128.22466	2.5
129.07060	8.9
131.08580	31.4
133.06505	2.4
133.10138	32.3
135.08110	6.8
135.11676	19.5
137.09663	4.9
139.11281	2.8
141.07027	2.7
142.07791	2.3
143.08524	11.9
145.06578	2.4
145.10133	30.4
147.08112	3.5
147.11676	27.3
149.09618	14.5
149.13312	9.2
151.11243	5.2
155.08575	5.3
157.10127	13.0
159.11703	20.3
161.13284	11.3
163.11188	9.9
163.14822	3.8
163.31149	1.9
165.12831	6.4
169.10231	6.4
171.11653	12.8
173.12021	2.7
173.13303	12.9
174.59229	2.2
175.14922	3.2
177.12733	2.4
179.14284	3.1
183.11769	6.9
185.13324	7.0
187.14906	7.4
189.11275	3.2
189.12851	3.2
194.17641	2.0
195.11719	2.5
197.13330	10.4
199.14873	4.8
209.13312	3.3
211.14854	3.2
213.16518	3.5
215.18022	3.2
227.12912	5.8
229.19505	3.4
229.95421	2.2
231.21341	3.4
237.16734	2.5
239.17964	3.7
243.21169	3.3
247.16905	2.4
247.20645	3.9
257.19159	8.6
259.20587	3.8
261.22214	8.0
267.16180	2.4
275.20081	53.8
277.21820	5.9
293.21201	4.2
317.24753	2.4
333.24176	3.4
335.25809	36.1
349.23770	17.8
351.25659	2.8
354.33066	2.2
367.29974	4.2
369.42911	2.2
504.46094	2.2
513.36542	2.0
515.37305	4.3
517.39771	2.8
526.47418	2.3
535.41827	6.4
609.45148	45.3
610.45905	2.6
627.46155	75.4
628.22070	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	627.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.3
55.01878	23.1
55.05518	40.4
57.03442	15.2
57.07075	12.4
59.73706	2.3
65.03936	5.4
65.63040	2.2
67.05508	88.4
69.03426	3.4
69.07069	45.3
69.23830	25.4
71.04996	4.2
71.08278	4.3
71.08633	45.7
76.59629	2.4
79.05059	4.9
79.05498	77.4
81.03428	7.8
81.07060	100.0
83.04983	9.6
83.08627	21.3
85.06527	4.7
91.05484	74.3
93.07044	91.9
95.04973	18.7
95.08614	72.6
97.06538	35.5
97.10177	16.0
98.20748	3.7
99.08094	27.5
101.77863	2.8
103.05460	2.9
105.07040	75.2
107.04963	15.9
107.08604	52.0
109.06509	4.3
109.10163	31.7
112.37562	2.8
115.05505	3.4
117.07027	28.5
119.08585	52.5
121.06527	6.2
121.10139	35.4
123.08048	5.0
123.11724	7.9
125.09653	9.5
128.06219	3.9
129.07016	15.3
131.08575	43.8
133.10143	46.9
133.11099	4.7
135.08035	3.2
135.11694	26.4
137.09596	3.9
141.06990	6.9
142.07803	2.7
143.08551	22.1
145.10130	38.8
147.11673	30.9
149.09673	8.6
149.13257	12.6
151.11200	11.3
155.08571	12.4
157.10123	20.0
159.11720	25.9
161.13232	22.9
163.11209	10.4
163.14745	6.3
165.12738	2.8
167.08586	4.6
169.10196	11.2
171.11710	17.3
173.11903	3.9
173.13268	21.0
175.14799	13.7
177.12762	7.2
177.16415	3.4
179.08604	3.2
179.14326	21.4
181.10190	7.6
183.11739	12.9
185.13275	15.7
187.11249	4.2
187.14909	9.2
189.12778	3.7
195.11731	6.7
197.13274	9.2
199.14801	9.4
201.16423	3.1
209.13338	5.4
211.14926	5.9
213.16443	8.0
219.17554	3.2
221.13229	4.1
223.14894	4.6
225.16371	4.9
227.18056	3.8
235.14847	3.0
239.18010	4.4
241.19540	14.9
243.21104	9.7
257.19135	8.1
259.20526	17.5
261.22287	10.1
271.20734	2.8
273.18576	4.4
275.20102	45.3
275.23160	3.4
277.21628	26.8
291.19662	3.3
293.21091	25.7
315.23416	3.6
317.24915	5.5
325.25626	3.2
328.91769	2.6
333.24316	17.3
335.25873	21.3
341.24976	3.2
349.23724	31.1
351.25195	22.4
355.70435	2.6
396.34818	2.8
419.33102	3.0
435.32950	3.7
437.34338	11.5
455.35510	3.7
511.37692	12.3
515.37585	7.4
517.40448	9.6
529.38953	10.2
535.41522	9.8
553.42535	6.1
609.45129	90.8
610.45648	4.5
627.46185	92.0
628.46790	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
54.25826	0.3
55.05499	0.8
56.96568	18.8
62.38301	0.3
67.05501	2.1
68.33427	0.4
69.07051	0.9
71.05005	0.4
71.55669	0.7
71.95265	3.3
72.96043	0.9
74.97603	0.8
79.05486	2.4
81.07043	2.2
84.96023	1.8
91.05487	2.5
92.98632	0.4
93.07043	2.4
95.04937	0.5
95.08597	1.9
97.06517	0.5
97.96845	1.5
98.97569	0.9
105.00079	0.4
105.07043	2.1
107.08581	1.3
109.10181	0.7
110.17544	0.3
110.97564	5.4
112.99082	0.5
115.97841	0.7
116.98586	0.8
117.07005	0.5
119.08580	1.5
121.10166	0.8
123.01176	0.7
128.97678	0.7
128.98607	9.0
131.00124	0.6
131.08539	1.1
133.10114	1.6
133.98853	0.5
135.11694	1.2
137.02727	0.8
141.02242	0.4
143.00153	1.1
145.10149	0.6
146.99654	9.6
147.03249	0.5
147.11719	0.7
152.00171	0.6
155.03793	0.5
159.11760	0.7
161.01234	2.6
161.04819	0.5
161.13292	0.5
165.00757	1.3
169.01700	0.7
169.05333	0.5
170.01181	0.7
171.03311	1.0
171.11742	0.4
174.99005	0.6
175.02811	1.0
179.02289	0.9
185.04826	0.7
187.02777	0.6
189.00584	0.5
189.04353	2.3
190.05084	0.6
197.04904	0.6
201.04349	0.6
203.05949	1.8
217.07422	0.5
221.05013	0.5
227.09586	1.2
241.11082	2.4
241.19621	0.6
245.08266	0.5
245.10571	1.0
247.09743	0.7
249.07970	0.5
252.10344	1.6
259.12219	1.3
259.20624	0.9
263.09525	4.3
265.11102	0.6
270.11270	0.7
277.11115	0.9
277.21628	0.6
281.10645	0.9
289.11023	0.5
303.12558	1.8
313.14746	1.2
315.16293	47.3
316.16684	0.9
317.14554	0.5
321.13745	0.7
331.15967	3.0
333.17355	100.0
334.17694	1.8
347.18881	1.6
349.16721	0.8
351.18436	49.2
352.18750	0.8
356.18982	14.5
365.20117	1.0
369.19373	1.3
374.20056	8.0
397.21698	0.6
533.43579	0.4
591.37189	1.6
627.27594	0.7
627.45471	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2816
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
67.05511	1.2
70.67876	1.8
79.05503	0.7
81.07093	0.8
91.05500	0.7
93.05855	0.6
93.07001	0.7
94.06580	1.1
95.04967	0.5
108.08092	0.9
117.07061	0.6
119.08589	0.9
122.05994	1.0
129.06995	0.9
129.39095	0.7
130.06610	1.1
131.07323	1.3
132.08147	0.7
136.07614	1.8
138.09186	0.7
144.08063	0.8
146.09694	0.9
148.07640	0.7
170.09689	0.8
172.07570	1.2
174.09155	5.2
180.64612	0.7
181.08862	0.7
182.09845	0.6
185.07047	0.6
187.08768	1.5
187.12320	5.1
188.10760	2.6
197.10793	1.0
198.09250	1.1
200.09415	0.9
210.09404	0.8
211.08723	2.7
211.12350	0.8
212.09348	0.7
215.11913	3.5
223.08717	1.0
223.12219	0.8
224.09439	1.3
225.10258	3.7
226.10986	0.8
227.11705	3.5
228.08937	0.8
235.08701	1.7
237.10315	1.1
239.11896	2.9
241.13443	2.9
243.11317	25.3
249.10268	2.3
251.11909	2.2
252.09091	0.9
253.09830	2.5
261.10089	0.7
263.08234	1.0
263.11877	0.9
265.09796	1.8
267.11322	6.4
269.12997	2.1
277.09860	2.3
281.12894	0.6
283.14560	0.9
284.11627	0.9
285.12207	3.0
291.11343	1.2
293.12982	1.0
294.55289	0.7
295.10907	2.4
300.11328	1.4
301.12485	1.1
301.15527	4.1
304.10934	0.8
309.12305	1.8
311.13989	0.9
313.12195	0.8
314.13019	1.8
315.13702	0.9
316.11023	1.5
316.14612	1.0
319.10721	1.5
320.14111	1.0
325.15564	9.8
327.13422	8.3
328.10785	1.7
328.14444	1.0
329.11761	2.0
330.12360	3.1
330.15964	1.0
331.13574	0.7
334.15634	1.9
336.13589	0.8
341.11664	0.9
342.12454	3.3
342.16138	1.5
343.13211	3.4
344.13818	3.7
344.17645	0.8
345.14868	1.4
346.15536	1.9
348.13431	3.2
354.12350	1.3
354.16287	0.8
355.12973	0.8
356.13898	5.3
357.14532	1.5
358.15552	5.1
359.16174	1.2
360.17212	1.1
362.14987	1.0
369.14819	1.1
370.11594	1.3
370.15665	3.4
371.16904	0.9
372.17328	3.0
384.13208	1.3
385.18207	1.2
386.14929	2.5
386.19138	1.5
400.16519	3.4
402.14969	0.8
403.15991	1.1
407.14850	0.9
412.16809	1.6
414.17947	0.9
416.16116	1.0
417.17200	1.4
418.17908	1.5
419.19012	1.1
421.16873	2.3
422.17761	1.5
423.18350	1.3
430.17831	0.9
431.18527	2.5
432.19583	3.6
433.20804	1.1
435.13934	1.4
436.14801	0.9
437.19855	2.6
445.19614	1.1
447.17139	0.8
447.21988	2.0
448.20883	0.9
449.15384	1.2
449.20779	1.1
450.16437	0.9
451.17749	2.2
452.21887	1.1
460.18729	1.7
461.23550	2.0
462.24139	2.5
463.16449	0.9
463.21658	2.2
464.18564	1.2
465.18848	13.9
466.19690	1.4
474.20313	0.8
477.19205	1.1
478.20288	2.0
479.20547	5.5
480.21536	4.8
481.22455	3.0
489.23029	1.4
490.20007	1.7
491.20746	1.3
492.21393	2.8
493.23007	3.8
494.23331	1.7
502.19974	1.0
504.21268	2.7
506.22955	0.8
507.24347	4.9
508.21722	1.1
517.22241	1.9
520.20978	1.7
521.25836	1.0
535.23590	5.9
537.21405	1.0
541.24121	1.8
549.24933	12.7
552.24280	1.1
553.24524	2.2
567.26074	67.6
568.26764	2.0
577.24396	1.9
581.27197	0.8
595.25513	50.4
596.25928	1.3
599.28741	0.8
609.27063	1.6
627.28143	100.0
628.28632	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	627.2812
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
51.49996	0.7
51.98049	0.8
52.32085	0.8
53.46970	0.9
55.05517	1.2
67.05493	1.9
70.27921	3.1
77.28643	0.7
79.05479	2.3
81.07048	2.0
87.09662	0.9
91.05473	1.3
93.07072	1.3
95.04955	1.4
98.21385	1.0
105.07041	1.5
108.08134	1.0
119.08557	1.4
131.07243	0.9
131.08560	1.2
133.42607	0.8
136.07585	1.3
138.09216	1.2
139.43910	0.8
141.06956	0.9
141.36980	0.9
146.09676	1.2
148.07582	0.9
170.09770	1.0
172.09999	0.8
174.09183	3.3
175.05338	0.9
182.09761	0.9
187.08751	1.2
187.12285	5.7
188.10696	2.0
190.05029	0.9
197.10815	1.9
198.09232	1.3
199.12410	0.8
211.08763	2.3
212.09367	1.4
215.11836	2.9
225.10283	2.2
227.11775	2.0
235.08864	1.2
237.10342	1.6
239.08199	1.1
239.11826	3.4
241.13480	2.5
243.11325	24.2
251.11768	1.8
252.12621	1.4
253.09775	2.6
263.11639	1.0
267.11331	7.6
269.12863	1.8
277.09705	2.5
279.11591	0.9
285.12463	2.0
291.11148	0.9
295.10693	4.0
300.11276	1.4
301.15646	2.0
302.12933	1.0
309.12436	1.5
314.13086	1.9
315.13699	1.0
316.10913	1.6
317.11746	1.0
319.10925	1.2
325.15472	9.3
327.13608	3.3
328.10812	2.2
328.14661	1.6
329.11688	2.3
330.12308	3.1
334.15457	1.9
341.11700	0.9
342.12375	3.9
343.13281	3.1
344.13727	5.1
344.17609	1.0
345.14871	1.3
346.15564	3.0
348.13422	4.6
355.13556	1.1
356.13934	3.2
357.14838	1.7
358.15567	3.5
359.16217	1.2
360.17007	1.8
368.13770	1.0
370.15659	2.4
371.16452	1.5
372.17239	4.3
374.15030	2.5
386.14783	1.9
386.19073	2.1
393.13715	1.1
398.14774	1.2
400.16635	2.4
403.16333	1.8
404.16394	1.3
405.17075	1.0
418.17291	1.4
419.18295	0.9
423.18521	1.4
430.18118	1.3
432.19287	3.5
435.14301	2.8
436.19913	1.2
437.19833	2.2
444.18982	1.3
447.21967	2.8
449.15628	1.4
450.16470	1.3
451.17130	1.9
452.22369	1.2
460.18732	1.1
461.23450	1.6
462.24164	2.7
463.21240	3.3
464.18112	1.4
465.18872	14.5
477.19113	1.9
478.19824	1.2
479.20825	6.9
480.21466	5.5
481.22406	4.5
489.22662	1.3
490.20496	1.6
491.20453	1.1
492.21698	3.2
493.22211	3.7
504.21548	1.8
507.23926	4.7
508.21091	1.2
517.22205	1.4
520.21185	1.2
521.25525	1.4
524.24445	1.0
535.23621	8.0
541.23853	1.6
549.24963	15.6
553.24298	2.1
567.26068	88.9
568.26196	2.3
577.24298	3.0
595.25549	100.0
627.28131	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01870	0.5
57.03432	0.9
61.02920	1.1
65.37980	0.3
67.05464	0.2
68.99791	0.5
69.03430	2.7
69.54976	1.9
70.06584	1.1
71.05005	0.3
72.08158	0.3
73.02906	0.4
79.05476	0.3
81.03412	1.2
83.01318	0.3
84.08167	0.4
85.02914	10.3
87.04427	0.3
91.03972	0.6
91.05435	0.2
95.04939	0.4
97.02905	3.7
99.04444	0.7
109.02885	1.3
111.00819	0.9
115.03995	0.3
120.08089	0.4
121.02876	0.7
123.04485	0.3
127.03930	2.3
135.04446	0.3
136.07593	0.5
137.02330	3.0
145.04955	2.6
147.04349	0.4
149.02307	0.4
153.01845	3.8
160.63686	0.3
161.06079	0.3
163.03986	0.5
163.06027	0.3
164.07080	0.4
165.01828	2.0
173.05966	0.5
181.04958	0.3
183.02899	0.8
191.07123	0.3
201.05504	1.6
205.05029	0.5
229.04965	4.0
247.06018	0.7
257.04486	3.1
261.08807	0.3
272.09161	0.3
274.04828	0.5
285.03940	0.9
303.05014	100.0
304.05243	1.8
315.04776	0.5
345.05997	1.0
377.02426	0.3
426.02148	0.3
431.28598	0.3
438.18921	0.3
465.10373	2.4
627.28760	0.3
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
53.03938	0.5
55.01857	0.4
57.03417	0.5
61.02932	0.9
63.45688	0.1
66.64057	0.1
68.99797	0.4
69.03434	2.5
70.03728	0.2
70.06593	0.6
70.81852	0.4
71.04984	0.2
72.08160	0.7
73.02917	0.3
81.03407	1.3
81.07123	0.1
83.05011	0.1
84.04484	0.3
84.08130	0.2
85.02909	6.0
86.09719	0.2
87.04460	0.4
89.10771	0.3
91.03954	0.4
93.03416	0.3
97.02908	2.5
98.20808	0.1
99.04478	0.3
105.07025	0.2
107.08601	0.2
109.02882	1.0
111.00814	0.7
121.02846	0.7
122.02716	0.1
123.04412	0.2
125.09691	0.2
127.03924	1.6
128.60664	0.2
130.04996	0.1
135.04449	0.3
135.35483	0.2
137.02344	3.0
138.05447	0.2
143.85336	0.1
145.04968	0.8
147.04424	0.3
149.02345	0.4
153.01831	3.1
153.02989	0.2
154.25679	0.1
155.99683	0.1
161.05876	0.2
163.03928	0.5
165.01857	1.8
166.02565	0.2
173.06017	0.4
173.13272	0.2
174.13629	0.2
177.05580	0.1
183.02925	0.9
187.03905	0.4
191.14282	0.5
192.14667	0.4
195.03043	0.2
201.05458	1.5
209.15375	0.6
210.15736	0.7
213.05432	0.2
219.06581	0.2
228.04105	0.2
229.04970	3.5
247.05901	0.6
257.04507	2.4
274.04724	0.5
275.05478	0.3
285.03998	1.3
303.04999	100.0
304.05316	1.8
315.05161	0.1
344.69101	0.2
345.05972	0.3
369.05579	0.1
465.10318	5.8
498.04324	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
57.03416	0.4
61.02929	4.3
65.03930	0.2
68.07337	0.1
68.99793	0.3
69.03432	0.8
69.64295	0.8
69.64681	0.3
70.06592	0.2
71.01335	0.1
71.04971	0.1
73.02921	1.0
74.85204	0.2
81.03409	0.5
85.02428	0.3
85.02907	4.1
86.09717	0.1
91.03948	2.2
93.03367	0.2
95.04961	0.2
97.02892	2.2
98.21484	0.2
99.04478	0.2
103.97326	0.1
108.61526	0.1
109.02880	0.6
111.00810	0.7
115.03912	0.1
120.73093	0.2
121.02862	0.9
123.04450	0.2
127.03934	0.9
137.02336	3.0
137.03406	0.2
145.04965	0.5
147.04391	0.1
149.02332	0.3
153.01830	3.0
161.05971	0.3
163.03918	0.7
165.01842	1.9
166.02559	0.3
173.06065	0.3
179.03171	0.1
183.02878	0.8
183.04326	0.3
187.03917	0.4
191.03363	0.2
195.02991	0.2
201.05461	1.4
205.05066	0.1
219.02863	0.2
219.06538	0.3
228.04205	0.1
229.04979	3.8
247.06020	0.9
257.04483	2.7
274.04892	0.9
275.05508	0.1
285.03973	1.6
286.04642	0.1
303.04990	100.0
304.05301	1.8
318.35754	0.2
345.06323	0.2
416.32407	0.1
465.10300	7.2
466.10480	0.2
532.65503	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	626.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.9
57.03442	0.6
58.93571	0.3
61.56286	0.3
67.05510	1.1
69.03430	2.4
69.07067	0.8
70.06585	1.5
70.71066	0.4
70.71406	0.7
71.04990	1.1
72.08136	0.3
78.03467	1.6
79.05507	0.8
80.05004	0.5
81.03410	0.5
81.07050	1.5
83.04996	3.6
83.08624	3.2
84.08179	0.4
85.02916	1.0
85.06544	1.0
87.09088	0.3
90.28393	0.3
91.05485	1.1
93.07042	1.8
95.04972	18.1
95.08598	1.2
96.04494	0.6
97.02894	100.0
97.06537	0.9
97.10194	0.5
98.03224	0.6
99.04461	3.8
105.07076	1.6
106.02916	7.7
107.08598	2.2
109.06526	0.8
109.10166	3.0
111.08085	1.1
119.00266	0.3
119.04985	0.4
119.08610	0.9
121.10154	1.1
123.11732	0.9
124.03037	0.7
124.03955	12.4
125.09639	0.6
128.07106	0.6
131.08566	0.5
133.10153	3.4
135.08061	0.7
137.05969	0.4
145.10132	0.6
146.06073	0.4
147.04448	1.9
149.13257	0.9
151.11203	4.2
153.09105	5.5
167.14325	4.9
173.13298	1.4
191.14317	1.7
196.06131	0.9
202.23477	0.3
209.15375	19.6
210.15700	0.4
220.06050	23.8
238.07111	4.3
248.13521	0.3
254.06624	1.3
256.08197	1.8
273.78510	0.4
316.05820	0.4
331.08267	0.9
332.08502	0.9
400.12399	19.1
418.13348	1.1
522.77692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
53.51672	2.1
54.14135	2.0
55.01879	11.0
55.05512	32.3
57.03428	9.7
57.07073	3.7
59.80355	2.2
65.03936	4.0
67.05511	66.7
69.03462	2.5
69.07076	31.1
71.05000	6.1
71.08630	2.6
72.08161	5.1
73.65702	2.5
79.05495	40.3
81.03401	2.9
81.06592	3.3
81.07066	60.1
83.04993	5.5
83.08634	17.4
83.48267	2.2
85.02941	2.8
85.06571	3.2
91.05488	46.7
91.06023	4.2
93.07049	44.6
95.04989	9.0
95.08614	35.8
97.06538	17.0
97.10174	7.1
99.02170	2.4
99.08126	2.2
105.07037	46.5
105.07682	3.9
107.04980	6.4
107.08592	27.1
109.06520	7.8
109.10152	19.2
111.08109	4.9
115.05436	2.9
117.07022	20.6
119.02703	2.4
119.08599	34.0
121.10159	18.9
123.08073	5.7
123.11733	8.5
125.09644	7.8
128.06223	5.3
129.07007	17.7
131.08577	34.0
133.06482	3.8
133.10141	26.8
135.08098	5.1
135.11684	12.0
137.09596	2.5
141.07016	7.7
142.07822	4.3
143.08580	24.2
145.06570	4.2
145.10124	27.9
147.11688	19.0
149.09641	6.2
149.13258	5.9
151.11235	3.2
153.07037	2.4
154.07861	3.1
155.08572	17.3
157.10138	24.3
159.08093	3.2
159.11693	19.8
161.09583	3.6
161.13293	10.3
163.11240	2.9
167.08617	7.2
168.09381	3.5
169.10164	17.4
171.11694	20.2
173.09662	4.3
173.11929	2.5
173.13252	11.1
175.14900	5.4
179.08551	4.6
181.10176	10.4
183.11693	17.0
185.13199	13.8
187.14864	5.0
195.11728	8.8
197.13335	10.3
199.11253	3.7
199.14867	6.5
207.11719	3.6
209.13354	8.2
211.14825	9.8
213.16504	5.1
215.17978	2.9
221.13354	2.5
223.14880	6.7
225.16475	6.2
227.12817	3.9
235.14815	4.3
237.16470	3.8
239.18102	6.3
241.19514	4.8
245.19124	2.7
249.16716	2.5
251.18053	2.5
257.18970	3.3
259.20700	10.7
273.18713	3.7
275.20044	11.8
276.49683	2.3
277.21738	4.1
306.62680	2.4
315.33896	2.5
333.24200	3.1
349.23907	4.3
365.28256	3.3
371.25696	3.2
381.31622	2.7
383.29352	3.1
389.26968	3.0
393.27744	2.7
403.29828	2.8
439.32007	3.6
445.29727	11.0
445.56036	2.7
463.30710	4.7
495.34857	2.8
513.35834	19.6
515.39111	7.5
527.37543	6.8
533.40320	12.2
551.41327	12.2
555.37622	2.7
607.43622	46.2
625.44678	100.0
626.44531	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	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.0
55.01873	38.9
55.05297	2.6
55.05516	25.6
55.27543	1.8
57.03440	12.1
57.07065	5.5
65.03941	4.4
67.05506	69.0
69.03430	3.6
69.07072	81.9
70.94598	2.2
71.04975	6.4
79.05493	56.1
81.03415	7.7
81.07060	72.9
83.04976	9.5
83.08623	14.0
85.06551	3.8
91.05484	64.8
93.07053	56.1
95.01339	5.7
95.04987	15.8
95.08610	48.0
97.06537	52.7
97.10169	4.2
98.20809	6.6
98.50360	2.9
99.08092	4.4
103.05470	2.9
104.98730	1.9
105.07034	79.9
107.04959	19.1
107.08609	29.2
108.23824	1.6
109.06529	6.4
109.10155	18.8
111.08117	4.9
112.08699	2.2
115.05460	3.5
117.07020	31.4
119.08588	52.7
121.06499	4.2
121.10160	16.8
121.96642	2.3
123.04432	2.0
123.08086	6.2
123.11736	6.5
125.09659	5.9
128.06262	5.4
129.06999	21.1
130.07784	3.5
131.08568	49.2
133.06516	2.4
133.10132	42.9
135.08109	4.4
135.11681	13.2
137.09647	4.2
139.11223	4.2
141.07025	7.4
141.11400	6.7
142.07780	4.6
143.08571	29.6
145.06473	3.2
145.10127	44.0
147.08069	5.5
147.11690	33.6
149.09613	10.3
149.13290	6.4
151.11128	3.8
153.07074	2.5
154.07771	3.8
155.08565	18.4
156.09395	3.4
157.10152	26.1
159.11691	30.6
159.13857	2.0
161.09601	2.0
161.13245	20.8
163.11227	5.3
163.14874	3.2
165.09167	2.1
167.08641	7.7
168.09349	3.9
169.10126	19.0
171.08061	2.2
171.10265	3.8
171.11728	26.0
173.09671	1.9
173.13223	21.7
175.11226	4.1
175.14879	7.7
177.12784	5.2
179.08537	1.9
179.14366	6.4
181.10115	11.9
182.10808	2.1
183.11707	20.1
184.12335	2.0
185.13271	17.7
187.11237	5.7
187.14839	8.6
189.12886	2.7
193.10161	4.2
195.11760	9.9
196.12579	2.0
197.13284	14.3
199.11086	2.7
199.14832	11.8
207.11761	6.3
209.13293	8.9
209.15067	2.1
211.14807	10.3
213.16447	6.7
215.18019	3.3
217.19528	2.4
219.17331	2.3
221.13284	3.1
223.14859	8.6
225.16377	4.6
229.19637	2.3
231.21152	2.6
233.13333	2.6
235.14908	3.1
237.16469	5.3
239.17967	5.3
241.19522	20.9
251.17949	3.4
253.19508	3.5
255.17572	3.8
257.19083	12.2
259.20581	26.4
273.18610	3.0
275.20099	49.0
277.21912	3.6
285.22156	2.7
291.19745	3.8
293.21249	5.9
297.22229	2.9
299.23932	2.3
301.21716	2.1
309.22122	2.3
311.23734	2.3
313.21765	3.2
315.23135	4.6
333.24289	25.4
339.27051	3.2
349.23727	30.0
401.45972	2.0
419.33252	3.6
421.31155	3.9
435.32822	8.5
437.34225	16.2
453.33783	2.8
455.35495	2.6
463.32465	2.5
475.36011	3.9
493.36926	4.6
501.36084	4.0
509.36557	3.9
511.38184	13.5
513.35565	11.4
515.38898	6.4
527.37476	7.7
529.39093	7.1
533.39874	13.3
551.40857	9.4
555.37213	5.6
556.37317	2.8
589.42249	3.1
597.45331	3.0
607.43433	65.1
608.43658	3.9
625.29114	4.4
625.44666	100.0
626.44788	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01880	9.4
55.05516	33.6
57.03434	10.0
57.07076	2.1
59.05008	2.2
65.03928	2.0
67.05511	52.0
67.87759	1.6
69.03429	2.9
69.07079	23.2
69.21717	4.6
69.22121	14.3
71.04987	6.8
72.08165	2.3
79.05495	40.6
81.03416	4.5
81.07061	50.3
83.04990	6.7
83.08621	17.1
91.05481	38.7
93.07047	42.8
94.25669	1.7
95.04984	6.4
95.08607	35.0
97.06528	10.2
97.10165	11.8
99.08126	2.3
105.07040	37.4
105.07730	1.4
107.04967	4.2
107.08585	27.3
109.06563	3.3
109.10164	18.9
111.08131	3.0
115.05437	3.1
116.06177	2.0
117.07023	18.2
119.08593	29.4
121.06483	2.7
121.10161	13.8
123.11718	7.9
125.09641	8.9
128.06242	4.7
129.07007	15.8
131.08583	28.9
133.10127	23.9
135.08073	2.4
135.11699	8.4
141.07033	7.3
142.07799	4.6
143.08582	24.6
144.09265	2.1
145.06532	2.6
145.10123	22.2
147.08110	2.3
147.11717	15.1
149.09636	4.5
149.13298	3.3
151.11192	3.9
154.07793	2.2
155.08565	13.6
156.09338	4.4
157.10126	21.4
159.11693	16.6
161.13220	9.0
163.11186	4.8
167.08601	9.6
169.10161	12.7
171.11674	18.3
173.13271	13.8
175.14920	2.3
179.08638	2.6
180.09373	2.5
181.10173	8.8
183.11699	16.2
185.13321	12.1
187.14879	4.9
189.11284	3.6
194.10823	2.3
195.11755	8.4
197.13310	10.0
199.14883	7.8
201.12709	1.9
201.16512	2.1
207.11714	4.0
209.13257	8.7
211.14874	8.4
213.13080	2.0
213.16449	5.1
221.13324	5.8
223.14886	6.1
225.16452	5.1
227.12816	6.2
227.18019	5.2
235.14803	2.3
237.16412	3.2
239.18008	2.4
241.19630	4.2
249.16286	3.1
251.17870	3.4
253.19559	3.1
257.19034	4.0
259.20715	6.7
265.19690	2.6
273.18622	2.4
275.20068	12.1
297.22104	1.9
299.20328	2.2
333.24393	3.0
337.28671	2.3
347.23163	2.2
349.24188	3.4
353.28598	2.1
363.26889	2.3
365.28503	6.5
381.31766	2.9
383.29517	3.5
395.29541	2.7
421.31146	3.8
439.32178	2.8
513.35736	19.1
515.38721	7.6
527.37750	3.3
533.40057	11.1
551.40826	7.1
555.37488	3.0
597.45599	2.5
607.27002	2.2
607.43549	44.3
625.27258	5.7
625.44604	100.0
626.44586	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60885	1.3
52.74078	1.4
53.03936	4.3
55.01872	7.7
55.05268	2.0
55.05513	31.3
57.03442	17.1
57.07083	3.1
57.45158	1.5
59.05004	1.7
65.03936	4.3
67.05509	60.7
69.03448	1.4
69.07067	24.9
69.24524	14.0
71.04985	4.4
71.08631	2.1
79.05496	41.2
81.03411	1.7
81.07061	58.7
83.04987	6.2
83.08623	13.3
85.06543	5.3
91.05486	42.0
91.05962	1.3
93.06465	2.8
93.07051	42.4
95.04974	6.0
95.08609	42.5
97.06526	10.6
97.10178	8.8
99.08105	5.1
103.05469	2.2
105.07039	42.2
107.04953	3.5
107.08604	26.9
109.06505	8.4
109.10165	19.3
111.08083	4.7
115.05478	3.0
117.07024	21.9
119.08585	32.5
121.06481	2.3
121.10151	17.4
123.08066	5.4
123.11707	5.8
124.55410	1.5
125.09630	6.3
128.06241	6.2
129.07011	21.7
130.07791	1.9
131.08578	31.2
133.06535	1.8
133.10144	24.5
135.08049	4.8
135.11710	9.1
137.09682	2.0
141.06992	12.1
141.43494	1.4
142.07800	5.9
143.08568	24.6
145.10123	28.6
147.11693	14.0
149.09654	3.6
149.13248	3.4
151.11230	1.7
153.07074	2.0
154.07782	2.9
155.08553	22.3
156.09360	4.5
157.10117	25.6
159.08118	2.3
159.11691	21.3
161.09686	3.5
161.13248	9.7
163.11232	3.0
163.14845	2.0
165.07042	3.7
167.08589	12.0
168.09390	5.2
169.10117	25.8
170.10931	3.0
170.98595	1.6
171.11673	23.7
173.09616	2.6
173.13246	12.6
175.14877	3.3
177.12778	1.6
179.08498	6.7
179.14218	1.9
180.09402	2.1
181.10114	16.2
182.10992	3.1
183.11694	25.5
183.13213	1.9
184.12431	1.9
185.09720	1.9
185.13275	16.6
187.11217	1.7
187.14850	6.1
191.08611	1.8
191.14470	2.1
191.34718	1.5
193.10133	9.0
195.11699	18.9
196.12415	2.0
197.13274	18.3
199.11247	1.9
199.14830	10.7
201.16457	4.3
203.14363	2.3
205.10222	3.2
205.15894	2.1
206.10869	2.2
207.11679	9.5
208.12335	1.8
209.13277	13.9
210.14133	1.7
211.14839	10.4
213.16428	4.7
217.15720	1.8
219.11746	2.8
219.17426	2.3
220.12480	2.0
221.13199	6.8
223.14786	10.2
225.16391	7.4
227.12764	2.1
227.18051	3.0
233.13339	3.3
235.14838	5.4
237.16573	7.2
239.14209	1.6
239.17981	4.0
241.15875	1.8
241.19563	2.6
245.18916	1.9
247.14836	2.2
247.20718	1.6
249.16356	1.9
251.18068	4.0
253.19693	3.8
257.18982	2.8
259.20691	4.3
261.16428	2.8
263.17944	2.6
265.19702	1.5
267.21088	2.2
273.18600	3.5
275.20157	9.7
278.16870	1.7
283.20697	2.2
284.71411	1.6
297.22220	2.5
309.22324	2.4
311.23727	2.7
313.21716	1.8
321.22018	3.5
323.23663	4.0
325.21552	1.9
327.23300	2.8
333.24625	2.4
339.23306	2.4
349.24344	3.5
351.23151	1.8
363.26843	1.9
377.28543	2.7
379.30331	1.8
389.28424	2.4
393.28375	2.2
421.30579	2.3
435.32501	1.6
445.31064	3.9
447.32233	2.7
461.34320	2.1
475.36267	2.0
513.35895	7.9
515.38861	10.9
533.40326	10.1
535.38269	2.2
539.37305	8.0
541.39203	2.4
551.41101	8.6
553.39020	13.6
565.27313	1.8
567.40698	5.4
589.42847	5.8
607.43610	61.0
608.43549	2.7
625.28687	5.6
625.44647	100.0
626.45282	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	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
55.01870	9.5
55.05515	32.0
57.03444	7.5
57.07076	4.0
59.04999	1.7
65.03946	3.0
67.05510	52.4
67.31908	1.2
69.03436	2.0
69.07076	26.4
69.61423	3.4
69.61839	4.0
70.39793	1.4
71.04991	4.4
71.08626	1.8
79.05499	35.8
81.03434	2.4
81.07063	53.0
83.04988	5.3
83.08628	15.2
85.06554	2.5
91.04997	0.9
91.05485	38.3
93.07050	38.8
93.07632	2.4
95.04951	6.3
95.08615	33.2
97.06531	9.7
97.10177	10.5
98.20859	2.6
99.08080	3.0
105.07036	33.1
107.04996	3.0
107.08601	24.6
109.06532	4.8
109.10161	21.2
109.10832	1.9
111.08098	2.6
115.05464	3.5
117.07019	18.5
118.79839	1.3
119.08586	27.6
120.80265	1.4
121.06535	2.0
121.10154	13.2
123.08089	4.1
123.11711	7.8
125.09624	10.1
128.06267	5.4
129.07013	18.9
130.07793	2.2
131.08577	27.3
133.06580	1.1
133.10143	25.8
135.08101	2.8
135.11711	8.3
137.09636	2.0
139.11172	1.5
141.06979	8.0
142.07835	4.9
143.08572	24.9
145.06465	1.8
145.10136	25.1
147.08051	2.2
147.11696	14.5
149.09630	4.6
149.13275	4.2
151.11201	2.3
152.06233	1.2
153.07030	1.8
154.07793	2.8
155.08565	15.8
155.47162	1.3
156.09384	2.6
157.10133	23.0
159.08141	2.0
159.11700	20.1
161.09570	2.6
161.13260	7.5
163.11232	2.4
163.14818	1.6
165.06985	2.4
166.07738	1.3
167.08582	7.3
168.09407	2.4
169.10135	21.8
171.11681	19.8
173.09659	2.0
173.13255	11.4
174.68471	1.2
175.14891	2.4
179.08583	2.6
179.14371	1.8
181.10133	11.1
182.10835	1.3
183.11710	17.8
185.13249	13.0
187.11314	2.0
187.13371	2.3
187.14865	6.0
189.11250	3.6
189.12790	2.0
189.16429	1.8
193.10153	4.3
195.11647	9.2
196.12367	1.5
197.13261	13.0
199.14864	9.0
201.12788	1.9
201.16447	2.8
205.10355	1.4
207.11781	3.4
208.12369	1.5
209.13368	9.4
211.14859	9.8
213.16402	6.8
215.18004	1.7
219.11775	1.5
221.13368	3.4
223.14882	6.1
225.16373	5.9
227.12769	6.0
227.18088	2.9
229.14304	2.2
229.19553	1.8
233.19209	1.3
235.14926	4.2
237.16502	4.3
239.18040	4.9
241.19617	5.3
243.16171	3.0
247.15059	1.5
249.16466	2.7
253.19745	2.2
257.19012	3.9
259.20560	6.2
263.18048	1.9
265.19745	1.8
267.17200	1.7
273.18677	2.9
275.20056	8.1
291.19464	1.9
295.20633	2.1
309.22104	1.8
333.24500	2.7
347.22372	2.2
349.24033	4.5
353.24835	1.5
363.26657	1.8
365.28439	9.6
367.26367	1.4
379.30185	2.5
381.27774	2.5
383.29599	2.2
403.29535	2.1
421.31207	3.5
429.80426	1.2
439.32468	3.3
495.35089	2.2
497.37766	2.2
510.42227	1.6
511.38885	1.4
513.35760	16.4
515.38782	8.4
527.37500	3.2
533.40308	10.6
537.35626	1.7
539.38104	1.5
551.41058	5.7
555.37256	2.3
569.41333	1.3
589.42981	3.3
597.45178	1.8
607.43579	41.6
625.44672	100.0
626.45074	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.4
53.03937	6.7
55.01879	24.8
55.05516	30.3
57.03439	9.9
57.07069	5.2
65.03937	6.1
67.05512	65.9
69.03426	4.1
69.07074	55.1
71.04994	5.0
71.44939	2.7
71.45292	1.7
77.03890	2.1
79.05496	56.2
81.03401	5.8
81.07065	79.8
83.04988	10.8
83.08632	16.8
83.83467	1.8
85.06552	3.9
91.05486	64.0
93.07052	54.6
95.04974	13.3
95.08618	51.6
97.06537	31.3
97.10176	7.9
99.08090	3.7
105.07034	66.9
107.04995	10.6
107.08605	32.3
109.06531	5.8
109.10164	19.2
111.08085	4.7
115.05521	3.1
117.07027	26.1
119.08588	49.5
121.06455	3.1
121.10136	17.8
123.08055	4.4
123.11732	4.9
125.09644	6.5
128.06264	5.6
129.05595	2.0
129.07011	19.7
131.08585	41.7
133.06477	3.6
133.10132	34.3
135.08070	4.2
135.11726	13.5
137.09619	5.7
141.07007	7.4
142.07779	4.0
143.08580	23.5
144.09370	3.2
145.06445	2.5
145.10147	33.6
147.08063	4.6
147.11705	23.2
149.09657	5.8
149.12196	2.1
149.13307	8.1
151.11252	2.8
154.07793	2.3
155.08533	13.6
156.09410	2.4
157.10144	22.8
159.08086	2.5
159.11690	27.8
161.09642	2.7
161.13277	14.3
163.11224	7.2
165.12863	2.9
166.07915	1.8
167.08611	6.3
169.10124	20.6
171.08092	1.8
171.10275	4.4
171.11690	19.7
173.13271	17.5
175.14862	7.6
177.12813	3.8
179.08624	4.1
179.14342	4.3
180.09337	2.3
181.10181	9.4
183.11737	17.1
185.13226	15.0
187.11206	2.9
187.14812	9.9
189.12930	2.5
189.16278	2.1
193.10161	4.3
195.11691	9.6
197.13318	10.7
199.14856	7.7
201.12871	4.1
201.16400	2.3
203.14400	2.0
207.11743	2.5
209.13304	10.2
211.14839	8.1
213.16455	5.0
215.18001	2.4
219.11771	1.9
221.13348	4.8
223.14870	6.9
225.16452	5.0
227.18134	2.3
231.21245	2.2
235.14832	2.4
237.16512	6.4
239.17955	4.0
241.19452	9.6
253.19490	2.9
257.19125	7.4
259.20621	11.5
267.21152	2.5
271.20670	2.8
273.18552	5.4
275.20074	29.0
277.21753	3.3
279.21112	2.7
285.22198	2.3
287.20087	2.5
289.21768	2.1
291.19736	2.7
297.22247	3.6
315.23245	3.0
321.22281	3.4
333.24261	14.5
341.24887	2.5
347.22571	2.8
349.23804	17.9
363.27222	2.4
409.31052	2.4
419.33408	3.3
421.30893	2.2
435.32858	5.1
437.34210	9.3
501.35818	2.2
511.37958	11.7
513.35791	10.0
515.38623	6.2
527.37433	6.7
529.39209	2.8
533.40009	10.4
551.40991	10.9
555.36993	4.2
556.37921	3.2
607.43579	59.6
608.44183	2.5
625.27478	17.4
625.44592	100.0
626.26660	2.8
626.44952	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64228	1.8
53.03943	7.9
55.01878	32.7
55.05513	35.9
57.03431	7.0
57.07078	4.2
65.03937	5.6
67.05510	77.5
67.98874	1.5
69.03440	3.5
69.07074	74.4
69.82063	1.5
70.73185	2.7
70.73519	2.6
71.04987	5.8
71.08643	1.6
79.05499	60.9
79.05968	3.1
81.03420	7.1
81.07063	65.9
81.36839	1.5
83.04990	10.4
83.08622	15.6
85.06536	3.9
86.51852	1.4
91.05484	66.5
93.07050	62.6
95.01335	4.9
95.04973	17.8
95.08611	49.9
97.02880	3.4
97.06539	37.0
97.10168	10.2
99.08105	5.1
105.07034	61.5
107.04964	13.8
107.08601	33.5
109.06537	6.7
109.10159	20.1
111.08073	4.8
115.05483	3.5
116.06339	1.5
117.07031	26.1
119.08586	48.8
121.06528	5.7
121.10144	20.4
123.04449	2.6
123.08083	6.2
123.11718	4.9
125.09599	7.3
128.06244	3.8
129.07030	16.5
130.07771	2.8
131.08569	43.2
133.06509	2.3
133.10136	42.2
135.08069	4.3
135.11705	15.8
137.09666	2.8
139.11124	2.1
139.60777	1.5
141.07048	8.8
141.09161	1.5
142.07759	4.3
142.51469	1.5
143.08571	25.4
145.06512	3.3
145.10129	35.8
147.08075	4.8
147.11691	23.8
149.09622	7.8
149.13257	9.7
151.11169	3.4
155.08562	12.1
156.09370	2.9
157.10126	24.0
159.08127	2.4
159.11707	26.8
161.09660	3.7
161.13290	16.4
163.11214	5.7
163.14838	2.0
167.08603	5.0
168.09366	2.4
169.10153	17.8
171.08046	2.4
171.10277	3.8
171.11658	20.1
173.09621	2.7
173.13272	18.7
175.11165	2.7
175.14856	6.2
177.12755	3.8
179.08485	2.5
179.14336	3.3
181.10179	10.7
183.11705	13.0
185.09668	3.3
185.13274	17.8
187.11162	3.1
187.14844	6.9
189.11259	1.6
189.12842	1.8
191.14122	1.6
193.10071	3.7
195.11731	8.5
197.13315	9.7
199.14857	10.7
201.12843	1.7
201.16406	3.5
207.11722	4.8
209.13307	7.3
211.14871	7.8
213.12898	2.1
213.16437	4.3
215.17982	3.1
217.19450	2.2
219.17609	2.1
221.13239	3.8
223.13109	3.6
223.14929	4.9
225.16476	2.2
227.17998	3.6
231.21075	2.5
235.14908	3.0
237.16432	4.0
239.17993	5.2
241.19560	15.0
245.19135	2.0
255.17561	1.9
257.19070	6.7
259.20566	21.3
265.19684	1.7
273.18494	9.5
275.20090	39.1
277.21841	2.6
285.22107	1.9
291.19531	40.4
293.21417	2.9
297.22137	3.4
313.21649	2.5
315.23309	5.2
323.23636	2.8
331.22815	1.6
333.24359	14.1
335.26028	1.8
339.23050	2.0
347.22400	1.8
349.23724	22.3
355.26392	2.0
365.23608	1.8
395.29691	2.1
409.30933	1.8
417.31604	3.6
419.33380	3.8
421.31284	2.5
435.32697	6.2
437.34167	12.8
445.30527	1.9
451.21631	1.9
453.34058	3.1
455.88504	1.7
465.22858	4.6
475.35712	1.8
477.22543	2.7
478.22522	3.5
493.22440	3.4
493.37006	2.1
501.36053	2.8
509.36276	3.4
511.37802	9.5
513.35931	8.7
515.38647	4.1
527.37360	4.7
529.38776	6.3
533.24402	1.9
533.39966	7.1
551.41125	5.3
555.36926	2.8
556.37408	3.2
557.99188	2.0
566.25568	4.3
593.25830	2.5
607.43634	49.2
625.28961	32.5
625.44586	100.0
626.44629	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	625.3585
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
53.03943	4.8
55.01877	7.7
55.05517	34.6
57.03432	9.9
57.07071	3.0
65.03960	4.6
67.05171	4.5
67.05511	70.5
69.03448	4.0
69.07083	28.8
70.06580	2.7
71.05000	6.1
71.56052	3.6
72.08159	4.1
79.05499	46.3
81.03445	2.9
81.07063	67.5
81.21281	2.2
83.05003	5.3
83.08620	17.6
91.04964	4.2
91.05494	47.8
93.07056	42.3
95.04960	6.6
95.08614	41.1
97.06545	8.5
97.10173	11.5
99.08086	2.5
103.05511	3.8
105.07047	42.5
107.04974	5.5
107.08606	32.6
109.06497	3.7
109.10166	25.0
115.05456	4.1
117.07029	27.3
119.08590	34.1
121.06584	3.0
121.10155	15.4
123.08052	4.1
123.11748	8.7
125.09641	8.1
128.06245	3.5
129.07010	24.2
131.08563	39.8
133.06491	3.5
133.10149	23.1
135.08063	4.6
135.11783	10.6
137.09654	5.9
141.07031	8.4
142.07784	3.7
143.08586	25.7
144.09363	3.7
145.10143	28.9
147.08041	3.2
147.11681	11.8
149.09639	5.1
151.11215	3.8
154.07809	3.4
155.08549	14.1
157.06537	2.6
157.10165	25.1
159.08064	3.0
159.11717	23.5
161.13286	8.4
167.08623	7.4
168.09297	2.5
169.10149	18.0
171.11725	20.8
173.09607	2.5
173.13222	11.5
175.14809	3.1
180.09435	2.9
181.10069	11.1
183.11746	20.2
185.04160	3.0
185.13260	13.9
187.11270	3.0
187.13264	2.9
187.14874	6.2
189.16438	2.4
193.10182	4.4
195.11720	9.3
197.13257	11.6
199.14853	9.2
201.12729	4.2
203.05309	3.7
207.11717	5.9
209.13257	11.0
211.14844	9.3
213.16412	6.2
221.13277	4.5
223.14838	8.5
225.16385	5.7
227.12785	5.4
227.18034	4.4
229.14284	3.2
237.16228	4.0
239.18088	5.8
241.19687	4.0
243.15746	3.2
251.17993	3.4
253.19655	2.5
259.20639	6.1
273.18521	2.6
275.20160	6.5
277.21872	2.6
295.20639	2.9
297.22153	2.9
343.26624	3.1
349.24396	4.3
353.24814	5.6
365.28473	6.1
371.25772	6.5
379.29761	2.7
383.29599	3.1
384.15573	2.4
389.27002	7.7
403.30276	3.1
445.29507	41.8
463.31604	16.5
487.33994	2.9
513.35614	10.0
515.38843	6.5
527.37335	5.4
533.39954	7.8
551.40869	6.9
553.39050	3.3
589.42773	3.1
607.43616	44.3
614.01843	2.4
625.32068	20.1
625.44409	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	28.4
67.05516	62.2
69.07071	20.3
69.21885	87.8
79.05506	44.3
81.07051	49.2
86.91821	7.6
91.05492	55.3
91.07851	7.8
93.07048	47.9
95.04984	8.1
95.08602	27.6
97.10172	10.0
100.94260	7.6
105.07042	41.5
106.07324	9.0
107.04963	8.8
107.08601	31.9
109.10184	14.4
117.07019	24.9
117.81487	7.7
119.08591	25.6
121.10174	16.9
129.07022	17.3
131.08585	31.6
132.20265	8.5
133.10110	22.2
143.08542	18.5
145.10086	21.5
147.11707	10.6
157.10123	16.3
159.11734	9.2
169.10185	14.6
171.11694	9.2
197.13257	10.8
199.14818	8.2
371.25778	13.8
389.26843	24.2
434.16595	10.4
445.24088	11.7
445.30048	92.8
449.19897	10.9
463.31067	18.5
478.19885	10.1
527.37189	22.9
593.23651	27.7
607.43512	11.9
625.25513	44.0
625.31787	100.0
625.43494	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	625.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.8
67.05508	1.6
69.07064	0.6
69.37705	2.1
70.78067	0.3
79.05506	0.8
81.03411	0.3
81.07066	1.4
83.08637	0.3
83.79131	0.3
91.05489	1.3
93.07052	1.4
95.08608	0.7
101.67082	0.3
105.07024	1.1
107.08588	0.6
107.25495	0.2
109.10218	0.4
119.08595	0.5
131.08620	0.4
133.10175	0.5
143.08620	0.6
145.10173	0.6
147.11644	0.3
157.10144	0.3
187.24149	0.3
235.17334	0.3
275.20139	0.5
277.21750	0.3
298.13141	0.3
334.02844	0.3
352.14572	0.3
391.19180	0.6
392.20197	0.8
403.19046	0.4
404.20572	0.3
405.21249	1.6
405.57574	0.3
406.21655	0.9
407.22476	0.9
418.17508	1.7
419.17712	1.5
419.22858	1.0
420.23535	3.2
421.24179	0.8
423.21893	0.6
431.18445	0.3
432.19373	2.1
433.19922	4.3
434.21045	2.0
435.22296	0.7
436.22592	0.4
437.23538	1.0
445.20309	0.4
446.20795	1.3
447.21613	4.3
448.22678	2.4
449.19461	3.1
450.20685	1.0
451.25262	2.6
452.26080	0.6
461.23566	0.5
463.20795	3.6
464.21960	2.5
465.22882	3.5
467.24231	0.3
477.22516	2.0
478.23660	7.9
479.24527	9.3
491.24951	2.2
492.25546	0.7
493.25912	0.5
494.76587	0.3
505.25626	1.2
506.26913	0.4
507.24948	0.3
510.26431	0.7
519.23572	0.3
521.26276	0.3
523.22919	2.8
524.28430	0.5
533.25891	0.4
534.26453	1.0
535.26611	0.5
537.25586	1.5
550.25653	0.6
551.26752	0.7
565.28259	24.6
566.28601	1.1
593.27496	0.7
594.28448	0.6
597.30627	0.6
607.44055	0.5
625.30249	100.0
626.30457	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03943	1.2
54.44557	0.7
55.01881	0.7
55.05514	8.5
57.03432	1.0
57.07067	1.3
67.05167	1.0
67.05507	11.8
69.03419	1.1
69.07071	9.7
70.06595	1.4
70.90878	1.1
70.91186	0.7
71.04977	1.1
72.08151	1.3
79.05508	6.1
81.03424	1.0
81.07059	23.8
83.01349	2.3
83.04984	1.1
83.08634	3.6
84.08160	0.9
85.02898	1.5
85.06520	0.6
91.05479	5.2
93.07053	7.8
95.01311	1.8
95.04964	2.4
95.08611	19.3
97.02885	1.9
97.06551	1.6
97.10175	2.8
99.00821	9.7
99.04459	4.0
103.05511	0.7
105.07034	5.7
105.89580	0.5
107.04952	1.0
107.08607	8.0
109.02863	1.3
109.06550	1.9
109.10164	10.8
111.04475	0.7
111.08099	1.4
111.11728	0.7
113.02364	2.1
115.05435	0.7
117.01890	0.9
117.07028	1.4
119.04994	0.7
119.08572	4.9
121.06503	1.2
121.10126	3.5
123.08085	1.2
123.11720	6.6
125.05965	1.3
125.09637	1.5
127.03893	1.2
129.06998	0.7
131.08562	1.6
133.06499	2.0
133.10141	3.3
135.04428	1.5
135.08057	2.1
135.11676	2.5
137.06020	2.9
137.09601	1.0
137.13246	1.0
139.07523	1.2
145.10162	2.0
147.04430	1.7
147.08066	1.0
147.11664	3.5
149.06007	2.3
149.09650	1.3
149.13255	1.4
151.07565	2.1
151.11201	1.1
153.05475	3.9
155.07051	1.7
157.06471	0.7
157.10179	1.2
159.11673	1.6
161.06017	1.6
161.09627	1.6
161.13281	1.2
163.03909	2.8
163.07603	2.9
163.11169	1.4
165.09134	1.1
167.07018	1.8
171.08058	2.0
175.07596	2.8
175.11134	1.0
175.14821	1.1
177.05498	6.2
177.09103	1.9
181.04974	15.3
183.06586	4.8
183.08000	0.8
189.09103	16.4
191.07088	2.0
191.10724	1.8
195.04756	1.7
195.06537	32.1
203.10634	3.2
203.17896	0.9
205.08646	1.9
205.12271	1.3
207.06566	2.6
208.94211	0.7
209.08096	14.9
217.08675	1.0
217.12335	1.8
220.07137	0.7
221.08133	2.3
221.11845	0.9
223.09665	19.6
231.10234	1.4
235.09743	2.6
237.11227	20.6
249.11232	14.8
251.12798	3.9
252.30782	0.6
255.06567	2.9
261.11154	1.2
263.12769	4.2
265.14380	1.7
274.14429	0.7
275.12756	0.9
277.14328	1.5
279.15933	1.0
289.14270	1.1
291.16052	1.3
293.17496	1.3
294.05801	0.7
303.15912	1.8
305.17419	1.6
307.19113	2.5
317.17572	2.3
319.19089	2.4
326.11624	0.7
329.17477	0.8
331.19101	1.5
333.20926	0.8
359.22263	1.0
429.30035	4.8
439.28519	2.0
457.29471	26.4
463.13651	1.1
475.30508	4.2
589.30103	1.0
607.31128	100.0
608.31311	3.3
625.19312	3.4
625.32135	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	625.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01878	0.6
55.05503	1.4
57.03436	0.9
57.07072	1.9
65.03931	0.4
67.05511	4.6
69.07064	1.4
70.06589	0.4
70.14474	0.3
71.04999	0.5
71.08627	1.6
79.05500	3.2
81.07071	3.8
83.04964	0.5
83.08614	1.1
85.06534	0.6
85.10181	1.0
87.04496	0.6
89.06033	1.6
91.05471	3.0
93.07046	3.4
95.04974	1.3
95.08614	2.6
97.06521	0.6
97.72437	0.4
98.37341	0.4
105.07030	2.3
107.04967	0.7
107.08613	1.4
109.06521	1.6
109.10173	1.2
111.08073	0.5
113.06034	0.4
117.07056	1.3
119.08604	1.9
121.10143	0.9
128.06303	0.4
129.07018	0.7
131.08566	1.7
133.08606	1.4
133.10214	0.9
135.08069	1.3
135.11740	0.9
143.08583	1.1
143.41103	0.4
145.10132	1.9
147.11723	0.8
149.09633	1.0
149.13245	0.5
155.08665	0.4
157.10144	1.1
159.11748	1.1
161.09671	0.7
163.11263	0.4
169.10147	0.5
171.11732	0.4
173.13235	0.6
175.14835	0.4
177.11296	0.5
179.14374	0.5
183.11781	0.4
185.13342	0.5
197.13248	0.6
223.14980	0.5
273.18600	1.5
275.20306	0.5
291.19565	3.0
377.17679	0.9
379.19427	1.1
389.17734	0.5
390.18668	0.6
391.19312	1.8
392.20154	1.2
393.20966	2.1
405.16452	2.8
405.21274	1.2
406.17975	1.3
407.18423	0.5
407.22552	4.6
417.21036	0.7
418.17383	0.7
418.22168	0.6
419.18216	3.6
420.19238	2.1
421.20108	3.2
431.18573	0.9
432.19489	0.5
433.19974	4.0
434.21121	3.9
435.21976	7.6
445.20276	1.2
447.22067	2.2
449.19226	2.8
450.19894	0.5
451.25049	1.6
460.22589	1.1
461.23499	1.4
463.20959	2.3
464.22351	1.4
465.23007	2.4
467.24686	0.4
477.23026	2.2
478.23639	4.6
479.24802	4.7
491.25092	0.9
492.25040	0.6
493.26025	0.7
505.26151	0.6
507.23669	0.7
521.25507	10.6
523.23602	1.7
527.37170	0.9
537.27612	0.6
547.27203	1.2
549.25244	0.5
550.25342	0.5
551.27124	0.5
565.28168	19.5
566.28448	1.4
581.27643	2.4
593.27362	0.6
607.29578	0.8
607.43567	1.0
625.30243	100.0
625.44495	4.7
626.30542	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	624.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.5
55.05510	11.2
57.03437	4.6
61.02929	2.3
66.86768	1.1
67.05510	3.1
69.03431	22.3
69.07063	2.5
70.06589	6.9
71.06807	2.7
72.08137	3.4
73.02921	2.5
79.05509	2.9
81.03416	8.1
81.07063	4.4
83.04983	14.6
83.08637	7.7
85.02910	22.7
85.06557	1.9
86.09711	2.7
87.00814	8.6
87.04469	3.5
91.05499	4.4
93.07033	6.7
95.04976	19.6
95.08643	2.8
97.02893	22.7
97.06537	5.0
97.10157	1.7
99.04453	10.9
105.01891	11.3
105.07045	5.0
107.05023	1.5
107.08592	10.8
109.02896	8.7
109.06534	3.1
109.10154	11.5
111.04475	3.6
111.08077	2.5
115.03948	6.1
117.07017	2.1
119.08582	3.8
121.02832	1.3
121.10148	4.9
123.04480	2.0
123.08049	2.9
123.11730	2.8
124.07559	1.6
125.09684	2.9
127.03934	16.6
129.05516	1.7
131.08594	6.5
133.04991	1.9
133.10127	17.1
135.08043	5.3
135.11743	1.7
139.03902	2.2
139.11192	1.9
145.04965	8.3
145.10184	1.7
147.04555	3.5
147.11697	2.3
151.11192	12.0
153.09120	11.2
159.02962	2.3
161.13181	1.3
165.12817	1.5
167.14308	16.6
169.12321	2.1
173.13261	10.6
177.05525	3.2
181.12254	2.3
189.03946	1.3
191.14313	16.2
193.70306	1.1
201.03938	1.4
205.04984	1.6
209.15378	100.0
211.94955	1.2
213.03871	1.6
223.06044	1.3
227.16437	6.9
231.05054	5.8
241.07195	1.3
249.06116	2.4
315.13138	1.4
325.98624	1.3
327.07062	3.7
341.19449	1.4
345.08163	4.6
387.75275	1.4
405.14819	1.3
609.42291	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1765
Annotation	6-Methoxykaempferol 3-robinobioside
Peak:m/z	Relative Intensity
50.02173	0.3
53.03947	0.4
55.01859	0.5
55.05509	0.7
57.03436	2.3
61.02918	0.6
61.99928	0.3
65.03939	0.6
67.05492	1.0
69.03435	2.8
69.07066	1.4
69.21750	1.8
69.22180	1.7
70.06586	0.7
71.04999	10.7
72.08160	0.7
73.02911	0.7
75.04449	0.3
79.05492	1.1
81.03427	1.1
81.07062	3.2
83.04962	0.6
85.02908	15.3
85.06564	1.8
87.00820	0.5
87.04436	0.3
91.05470	1.3
93.03391	0.5
93.07032	1.1
95.04959	0.9
95.08616	2.5
97.02889	2.0
97.06535	0.6
99.04456	0.7
99.08081	0.6
101.06005	0.4
105.01894	0.3
105.07031	1.6
107.08575	1.3
109.02865	0.8
109.06495	0.4
109.10163	1.2
111.04418	0.6
117.06957	0.5
119.08572	1.6
121.02858	0.4
121.10117	1.1
123.11719	0.6
125.09694	0.4
127.03929	1.7
129.05490	2.7
131.08589	0.6
133.10155	0.8
135.11668	0.6
139.03883	0.6
145.04938	1.3
145.10114	0.8
147.06544	0.7
147.11687	0.8
149.13228	0.5
150.03201	0.6
151.03908	0.7
153.01826	4.1
165.01843	0.8
167.03394	0.9
177.05582	0.5
195.13681	0.6
203.03407	0.5
214.91634	0.3
218.05888	0.4
228.04181	0.9
229.04979	1.9
231.02824	0.5
243.06618	0.5
245.04410	1.1
246.05257	1.1
249.18675	0.4
255.11307	0.8
257.04434	2.5
267.19641	0.8
269.22552	0.5
271.06256	0.4
273.03937	1.5
274.04752	2.9
285.04010	3.4
285.07291	0.7
287.23691	0.5
299.05646	0.3
301.06982	0.5
302.04221	9.7
303.04526	0.4
305.24490	0.8
315.13409	6.2
316.05914	1.0
316.14017	0.3
317.06567	100.0
318.06976	2.6
323.25778	1.4
331.08136	14.1
341.26923	1.2
477.74139	0.4
564.94678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05513	1.3
57.03439	2.9
57.07069	1.3
58.99589	1.0
59.05005	0.5
60.04527	0.4
61.02927	0.7
67.05499	1.5
69.03433	38.9
69.07073	2.1
69.93179	0.4
70.06588	0.6
70.15574	1.4
71.04993	0.9
72.08167	2.0
73.02926	0.6
76.02231	2.4
78.39246	0.4
79.05491	1.2
81.03430	1.2
81.07056	4.0
82.25568	0.3
83.04988	3.0
83.08624	0.9
85.02908	8.0
85.06564	1.9
86.92590	0.3
86.99061	0.9
87.04475	4.4
89.10812	0.4
91.05485	2.1
93.07044	3.3
95.08613	6.9
97.02902	5.5
97.06538	2.0
99.04437	0.4
100.02203	1.9
105.00098	1.1
105.07037	3.1
107.08601	8.8
109.02881	0.7
109.06531	3.4
109.10192	1.8
111.08088	2.0
115.03927	4.5
119.04946	0.7
119.08587	3.4
121.06509	1.6
121.10147	10.4
122.02737	20.9
123.08057	2.0
123.11720	5.9
125.09644	14.5
127.03925	0.7
131.08583	4.8
133.04985	3.6
133.10133	3.0
135.08058	7.8
135.11707	4.6
137.09627	0.7
137.13306	0.5
143.08578	0.9
145.04965	0.5
145.10147	1.9
146.02754	1.8
147.04431	2.4
147.11684	2.3
149.09619	6.3
149.13287	2.7
151.11180	1.1
153.09116	5.6
158.10919	2.5
161.09641	0.5
163.11198	2.1
163.12347	0.3
163.14816	3.8
164.03758	2.6
165.12753	2.4
167.05252	1.3
167.06577	0.3
167.10699	2.1
173.13271	15.8
176.11876	0.4
181.06882	0.6
191.14317	56.1
192.14647	0.7
197.09911	0.4
200.03758	0.5
204.46207	0.3
209.15375	100.0
210.15717	1.3
223.11559	3.4
241.12578	7.5
248.06039	0.6
254.06966	3.8
284.07858	0.8
330.17337	19.9
372.18359	1.4
396.29596	0.3
462.21671	1.0
474.21683	0.7
492.22620	7.1
511.58173	0.4
624.26276	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59930	1.1
55.05515	1.3
66.52048	1.2
67.05493	2.6
69.03439	7.8
71.54459	1.2
71.54942	2.1
79.05512	1.4
82.76244	1.3
83.04991	1.6
85.02908	8.8
91.05501	2.7
93.07049	4.7
95.04973	6.1
95.08639	2.8
97.02882	5.1
97.06583	1.3
99.04417	1.7
105.07043	8.3
107.08596	2.7
109.02892	1.7
109.06516	6.9
111.04464	5.7
113.06019	1.8
115.03976	1.3
115.05395	1.4
115.26482	1.3
117.07010	1.8
118.06561	1.2
119.08591	7.1
120.82191	1.2
121.02884	1.2
121.06507	4.5
123.08086	4.5
127.03955	2.4
129.06926	1.4
131.08549	3.9
133.06468	2.6
133.10191	1.8
135.04546	1.7
135.08083	9.4
137.09624	2.4
139.03844	1.4
139.28102	1.2
141.07053	1.6
143.08627	1.6
145.04974	2.8
145.06509	2.4
145.10114	5.3
146.06027	2.2
147.04416	2.0
147.08054	5.5
147.11620	1.5
149.06084	1.4
155.08623	1.4
156.09334	1.3
157.10057	2.9
158.07274	2.7
159.08102	4.8
159.11705	7.3
161.05975	2.7
161.09653	5.6
163.03949	5.7
165.09105	5.0
171.11728	1.9
173.09706	2.0
173.13298	3.8
175.07574	8.2
175.11200	5.2
183.11647	2.0
187.11203	4.8
188.07109	3.5
189.05510	2.9
189.07365	2.1
189.09088	2.2
189.12704	2.1
193.04994	2.6
193.08624	1.5
199.11195	4.4
201.12726	5.6
203.06854	1.3
203.10701	7.5
205.09718	1.7
211.11198	2.6
217.12289	5.2
229.12253	3.3
231.06473	1.8
235.06035	1.9
235.13307	2.0
247.13319	22.9
259.05908	6.2
265.14368	100.0
277.07132	6.3
295.08017	7.3
409.18585	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	624.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30445	0.4
56.96568	24.0
57.26963	0.4
69.43512	2.7
72.96022	0.6
74.97606	1.0
84.96026	0.5
98.21564	0.7
116.00200	0.7
119.04990	0.4
119.09941	0.4
135.06772	0.4
136.47643	0.3
150.09143	6.0
151.00684	1.2
158.98383	2.5
163.00674	2.3
165.02229	5.0
165.99374	2.4
167.00139	0.6
169.01779	2.8
176.99472	1.4
178.01859	0.4
179.00209	1.5
179.96761	0.4
181.01694	2.5
183.03313	11.2
184.00481	4.2
185.01242	1.1
187.02798	1.0
193.01740	0.6
196.09700	1.4
197.01242	1.2
199.02808	0.6
201.04366	8.7
202.01534	0.9
204.03337	1.4
204.98145	0.8
206.04872	3.3
208.06462	4.9
209.95612	0.4
211.02888	1.1
213.04509	0.4
216.03212	2.2
218.81100	0.4
219.05435	0.6
220.02892	0.7
222.04439	1.2
222.99167	2.0
224.05865	2.0
226.07527	4.3
233.04521	0.6
234.04372	18.8
235.05154	1.1
238.03900	1.4
239.02322	0.8
245.03392	0.5
251.41048	0.4
252.05455	72.9
253.06020	1.5
257.05750	0.4
266.03397	2.3
266.06967	0.5
270.06509	37.1
275.07004	0.9
284.04446	5.9
288.07623	1.2
307.05930	1.0
321.07645	0.5
323.09149	1.2
354.07324	5.8
370.09760	0.9
411.12238	3.7
416.10260	0.5
419.70975	0.4
429.13364	100.0
430.13776	3.0
447.14395	21.3
448.15131	0.4
470.16061	1.8
504.16965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.05503	2.9
55.34268	0.9
56.05049	1.1
65.03947	2.1
65.30472	1.0
67.05496	4.8
67.99191	1.0
69.03428	3.6
69.07062	3.4
70.06602	6.5
71.04994	1.7
71.55489	1.7
72.08143	2.1
79.05495	7.4
80.05010	2.1
81.03411	3.4
81.07050	7.8
83.08625	1.5
84.08147	7.9
85.02893	3.0
86.09692	1.3
86.81251	1.0
86.97469	1.1
87.00869	1.1
89.03922	1.9
91.05492	8.5
92.04993	1.6
93.05794	1.8
93.07043	10.4
94.06566	8.5
95.04985	2.3
95.08604	4.8
96.08126	1.3
97.02893	4.5
97.06541	2.1
97.10178	1.2
99.08079	1.2
103.05477	6.4
105.05751	1.7
105.07035	3.5
106.06539	1.1
107.04974	1.5
107.07320	1.1
107.08591	4.5
108.08125	17.7
109.02872	2.1
109.06558	1.4
109.10171	2.3
116.04986	5.1
118.06551	2.9
119.04937	2.0
119.08592	3.3
120.04480	8.9
120.08115	39.2
121.10163	3.0
122.06034	15.4
122.09639	1.2
123.11724	2.2
124.07619	2.8
127.03934	1.4
131.08498	1.0
133.10127	2.4
134.06021	3.2
135.11656	2.0
136.07591	29.3
137.09688	1.1
138.05525	10.1
138.09128	4.3
139.11298	1.0
144.04466	9.5
145.04982	1.6
145.10109	2.6
146.06007	10.2
147.04416	3.8
147.11647	1.2
148.07584	100.0
150.05533	3.5
150.09180	1.6
151.79291	1.1
152.07063	1.5
153.05466	3.7
154.05753	1.3
157.10158	1.2
160.04007	2.2
162.05528	6.0
163.03972	1.6
164.07069	3.2
166.05014	6.6
166.08643	7.3
167.07004	2.8
172.03951	48.5
174.05563	3.6
184.09932	2.1
188.07167	1.8
190.05008	22.8
192.06538	1.5
196.09927	1.9
197.10759	2.9
198.11429	2.0
204.06584	35.0
208.09688	2.7
209.10696	2.9
210.09193	1.1
211.08719	1.5
211.12260	2.3
212.09444	5.5
213.10219	2.1
216.06639	1.9
218.04633	1.2
222.07819	2.0
223.08582	2.9
223.12218	1.2
224.09445	5.4
225.10277	9.0
226.11105	2.4
227.11821	6.6
234.07497	2.5
235.08723	2.1
236.09453	4.3
237.10246	22.5
238.11047	4.4
239.08199	3.2
239.11836	5.5
240.08900	1.4
241.09727	3.7
249.10263	3.1
250.07196	1.3
250.11095	1.4
251.08122	3.7
251.11771	12.4
252.08713	42.7
252.12630	2.4
253.09784	10.2
253.13348	2.3
255.11279	10.8
263.11749	2.1
264.08948	3.3
265.09738	26.1
266.10431	3.8
267.11371	5.9
271.10800	3.7
273.12381	2.0
278.06665	13.5
278.09656	1.7
279.11267	19.1
280.08560	2.1
280.11679	1.4
281.09155	3.1
281.12881	6.0
283.10797	9.0
285.12268	2.5
291.11060	2.0
292.08191	4.1
293.09238	22.2
294.09955	3.8
295.10904	2.1
297.12381	9.4
299.10205	3.8
299.13574	1.7
305.24692	1.9
307.10773	11.7
309.12311	3.0
311.10220	4.8
312.10971	5.3
313.11917	7.0
315.13330	1.8
316.14453	1.4
323.10196	1.4
323.19699	1.1
323.25827	3.3
325.11844	15.9
327.13327	3.5
333.14502	2.0
335.10147	11.7
339.13461	9.4
340.10559	3.9
341.11386	15.2
341.26694	1.7
344.13867	1.5
353.11368	16.6
359.12302	3.4
367.12799	1.2
372.17081	1.9
373.13953	3.1
376.18524	1.4
385.13879	5.6
388.16550	2.1
411.11893	10.2
416.20071	1.5
418.17764	2.3
429.13217	1.6
432.19086	3.2
443.14432	5.1
444.19058	3.1
460.18716	18.4
470.16916	1.8
488.18225	56.2
489.18259	1.9
506.19189	9.0
507.19754	1.9
520.20758	2.9
548.20166	2.8
551.18817	10.1
564.20038	5.9
574.18237	6.5
592.19250	50.9
593.18909	1.9
623.42200	1.6
624.21661	2.9
624.34033	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01871	9.5
55.05513	44.4
57.03434	6.6
57.07069	3.7
59.05001	3.4
61.14806	1.3
62.25123	1.5
65.03945	4.2
67.05508	62.7
69.03434	4.2
69.07072	21.7
69.29086	1.2
69.49941	10.8
71.04995	3.5
71.08645	2.6
79.05060	3.0
79.05495	44.7
81.03425	2.7
81.06573	2.9
81.07060	47.2
83.04987	6.7
83.08619	19.4
85.06538	3.5
89.06057	1.8
91.05483	39.5
91.06012	2.7
93.07046	32.4
95.04963	8.1
95.08611	30.1
97.02900	3.1
97.06544	4.0
97.10178	28.1
98.20745	2.2
99.08109	1.9
103.05472	1.4
105.04556	1.4
105.07035	35.4
107.04951	4.5
107.08598	28.5
109.06519	3.3
109.10161	20.2
109.37239	1.3
111.08110	3.4
115.05459	5.6
117.07027	24.8
119.08601	24.1
121.06502	3.2
121.10139	11.7
123.08083	3.8
123.11723	3.4
125.09623	19.3
128.06197	8.5
129.07005	23.5
130.07849	2.0
131.08578	24.7
133.06503	1.6
133.10136	17.2
135.08047	5.7
135.11714	5.8
137.09669	1.4
141.06973	13.1
142.07791	6.3
143.08560	22.2
145.06512	3.1
145.10132	20.7
147.08080	2.9
147.11719	10.1
149.09641	3.0
149.13326	2.8
153.07010	3.6
154.07767	5.4
155.08562	22.3
156.09355	2.6
157.10141	22.2
159.08084	2.6
159.11711	17.7
161.09645	2.8
161.13303	4.8
163.11185	2.0
165.07001	3.7
166.07796	2.6
167.08543	8.4
168.09366	4.7
169.10147	22.8
170.10811	1.7
171.10277	2.3
171.11688	14.3
173.09537	1.4
173.11859	2.2
173.13277	5.8
175.11296	2.1
175.14763	2.1
179.08629	4.0
179.45175	1.6
180.09277	3.0
181.10094	12.6
182.10924	1.5
183.11688	18.1
185.09662	2.0
185.13271	11.4
187.14836	4.4
189.11223	10.8
193.10149	5.6
194.10954	2.1
195.11682	11.5
197.09689	1.7
197.13287	10.7
199.11151	1.6
199.14847	6.3
201.16466	3.1
207.11711	5.6
209.13330	10.0
211.11301	1.5
211.14848	11.7
213.16402	5.6
221.13266	5.4
221.15263	1.6
223.11319	1.6
223.14897	7.7
225.14130	1.5
225.16373	5.7
227.12766	18.6
227.18010	3.0
233.13306	2.5
235.14879	2.8
235.16928	1.7
237.16498	4.2
239.17950	7.0
241.19542	2.2
247.14891	1.6
249.16396	3.2
251.17868	3.7
252.08450	1.6
253.19595	3.0
255.17467	2.2
255.21083	1.4
257.18976	2.4
259.20624	3.0
263.18021	1.8
267.20737	2.6
271.16974	1.6
271.20520	2.4
273.18484	3.6
275.20178	4.2
279.21011	1.4
281.19122	1.9
283.20361	1.8
285.18634	1.6
289.17838	2.4
291.19470	11.0
297.22281	2.5
307.20782	1.5
309.22092	2.9
313.21704	1.8
315.23166	3.0
323.23654	1.9
351.22940	1.8
353.24588	1.5
379.29977	13.8
405.16647	2.1
418.17389	3.3
419.18518	3.4
421.19833	1.7
433.20255	6.9
434.20834	3.7
435.21545	3.4
447.21750	2.5
448.22464	7.4
451.32568	1.7
462.19714	2.0
467.31470	1.5
469.32831	1.9
475.21283	2.8
476.21811	13.6
477.22473	6.2
495.37012	1.7
513.37268	4.6
521.26080	2.6
525.35742	7.4
531.38385	7.3
536.23724	9.6
549.39636	7.0
554.35828	3.8
563.26514	16.2
564.26770	2.5
605.41907	19.4
623.28107	78.3
623.42841	100.0
624.28583	6.1
624.43243	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	623.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.7
54.60789	1.9
55.01873	7.8
55.05515	22.3
57.03445	13.7
57.07081	4.9
60.00905	1.7
65.03943	5.4
67.05509	85.7
69.07072	18.2
71.04967	2.3
74.92767	1.8
79.05498	45.0
81.03414	6.9
81.07064	50.6
83.04965	4.9
83.08625	9.0
85.02909	2.3
85.06547	10.5
90.01537	1.7
91.05480	49.8
91.06010	3.3
93.07045	42.0
95.01334	2.8
95.04972	70.1
95.08613	34.8
97.06527	10.9
97.10191	5.5
98.20753	3.5
99.08127	2.6
101.90550	1.7
103.05453	2.6
105.07038	49.1
107.04964	15.0
107.08603	25.1
109.06522	37.1
109.10178	9.9
109.34850	2.0
111.08075	4.2
113.05989	17.4
115.05480	4.8
117.07020	23.4
119.06022	2.3
119.08585	34.9
121.06518	7.1
121.10159	9.7
123.08044	9.3
123.11724	2.7
125.09676	4.2
128.06229	8.0
129.07002	14.5
130.07773	2.6
131.08591	40.2
133.06503	5.4
133.10143	22.7
135.08054	16.5
135.11711	10.7
137.09612	4.0
141.07004	4.9
142.07832	3.9
143.08548	20.8
145.06425	2.4
145.10141	28.4
147.08064	5.9
147.11725	12.8
149.09625	5.7
149.13257	5.5
154.07715	2.0
155.08585	7.8
157.10146	16.6
159.08005	4.7
159.11670	17.6
161.09641	6.9
161.13248	6.4
163.11166	5.1
167.08575	5.7
169.10147	7.2
171.11644	12.4
173.13261	9.2
175.11168	3.3
175.14865	3.1
177.12781	4.4
179.08662	2.4
179.14314	3.2
181.10115	5.5
183.11728	9.0
185.09634	1.9
185.13268	8.1
187.11197	4.4
187.14862	6.4
193.10225	2.9
195.11732	7.0
197.13284	6.2
199.14839	5.1
201.12729	3.0
201.16455	3.0
207.11691	3.6
209.13324	2.6
211.14803	4.1
213.16400	3.1
217.15892	6.8
223.14876	4.3
225.12769	2.0
227.17992	2.7
237.16257	3.1
241.19557	3.1
245.19051	3.3
255.17584	2.4
257.19000	2.9
259.20645	7.9
273.18506	25.1
275.20209	4.5
279.15912	8.6
289.17966	3.5
291.19553	22.3
327.26843	5.3
333.24365	4.6
339.22922	2.0
347.22205	11.0
349.24176	2.0
389.28049	2.0
397.26761	2.0
405.20633	2.6
433.20041	3.3
445.20712	3.0
476.22098	2.5
501.15417	2.3
513.36945	3.5
519.23975	5.5
531.38269	5.8
549.39343	3.2
563.26422	6.3
565.38599	2.9
605.41888	21.5
623.28326	33.5
623.42883	100.0
624.29181	3.2
624.43555	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	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
53.98650	1.3
55.01864	2.3
55.05515	16.4
55.32081	1.6
57.03446	9.0
57.58212	1.3
58.78149	1.7
61.02931	27.0
65.03943	4.5
66.02439	1.5
67.05506	39.7
69.03448	7.4
69.07076	16.3
69.23282	5.9
69.23714	9.3
70.06625	1.5
71.01353	1.5
71.04992	4.8
73.02924	7.7
77.62392	1.4
79.05496	34.2
81.03415	6.8
81.07063	36.8
83.04980	4.4
83.08617	12.2
85.02913	20.2
85.06561	3.3
90.81956	1.6
91.03963	10.6
91.05484	45.2
93.07047	33.3
95.04984	8.4
95.08616	24.0
95.46980	1.7
97.02906	14.8
97.06541	6.6
97.10172	6.4
99.04456	2.9
99.08085	2.9
99.89807	1.5
103.05484	4.3
105.07043	40.1
107.04960	8.0
107.08599	18.0
109.02888	4.3
109.06512	5.5
109.10161	11.3
111.08074	1.9
115.05447	5.2
117.07029	30.0
119.04984	3.0
119.08587	18.2
121.06518	5.7
121.10167	12.7
123.08087	2.1
125.09674	2.9
127.03931	5.5
128.06241	8.0
129.07019	39.0
130.07703	2.0
131.08578	41.4
133.06479	5.3
133.10118	15.1
135.08067	5.9
135.11720	5.0
137.09657	2.4
141.06996	20.3
142.07762	3.0
143.08557	24.5
145.04948	1.6
145.06497	10.5
145.10118	21.5
147.08035	7.9
147.11697	7.0
149.09641	5.0
149.13287	2.8
153.05481	2.0
153.07005	3.1
154.07790	3.0
155.08560	25.3
156.09320	1.5
157.06499	2.5
157.10104	18.6
159.08060	5.1
159.11717	12.5
161.09628	5.2
163.11218	2.7
165.06999	2.9
166.07671	2.0
167.07222	2.5
167.08568	15.4
169.10123	13.8
171.07990	2.1
171.11699	13.3
173.09650	3.3
173.13280	3.2
173.91446	1.5
175.11191	3.0
179.08562	6.0
180.09412	1.7
181.10161	11.2
183.08130	2.3
183.11729	8.9
185.09598	2.8
185.13290	7.1
187.11194	3.4
187.14844	3.5
189.12827	2.4
193.10107	5.3
195.11713	14.2
197.13344	7.0
199.11180	3.1
199.14777	3.5
201.12807	2.3
203.14409	2.1
205.10205	2.1
205.12224	1.8
207.11742	3.8
207.13654	2.0
209.13345	5.4
211.11252	2.2
211.14873	5.8
213.11055	1.7
213.12869	3.6
213.16376	2.2
215.14365	4.0
217.12283	2.0
219.11682	3.0
221.13275	8.9
223.14832	5.7
225.12733	2.9
225.16420	3.2
227.14424	3.4
231.17439	2.3
233.13286	3.6
235.14810	5.1
239.14342	6.1
251.14217	1.7
253.15822	5.8
257.15427	3.2
259.17053	2.9
271.16943	5.8
285.18469	2.4
315.20987	2.8
323.23795	6.5
333.22070	15.0
341.24637	9.6
351.23215	45.7
369.24207	35.0
369.28525	3.1
387.25351	17.4
415.28656	2.3
425.26859	6.6
433.29013	1.8
443.27985	100.0
444.28113	3.8
461.28992	59.6
462.29254	2.1
491.02490	1.5
503.29626	2.4
536.16760	1.7
587.32617	2.2
605.32599	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
55.05511	1.2
57.07074	0.5
65.47270	0.3
67.05502	2.2
69.07069	0.9
69.55408	2.3
70.29704	0.3
71.04983	1.2
71.98360	0.4
75.09418	0.4
79.05492	1.4
81.07054	2.6
83.04989	0.5
83.08625	0.6
85.06538	2.1
91.05501	1.6
93.07075	2.1
93.07533	0.4
94.71729	0.3
95.04990	0.7
95.08633	1.3
97.06564	0.6
105.07016	1.9
107.04977	0.5
107.08609	1.4
109.06509	0.5
109.10138	0.8
117.07020	0.6
119.08572	1.8
121.10182	0.8
123.11707	0.9
131.08554	0.7
133.10176	0.7
135.11661	0.5
143.08589	0.7
145.10117	0.8
147.11728	0.7
157.10123	0.7
159.11781	0.4
161.13164	0.4
179.14375	0.6
181.10120	0.4
183.13838	2.0
188.14008	0.3
197.13226	0.3
201.14867	1.9
204.06682	0.4
211.12532	0.4
221.10844	0.3
225.10527	0.3
225.13837	0.4
249.79561	0.4
275.20135	1.0
309.12790	0.4
311.13782	0.4
314.12866	0.4
368.17773	0.4
375.16052	0.8
376.17297	0.6
389.17859	1.0
390.18509	0.6
391.19305	1.5
392.20056	0.6
402.18469	0.5
403.19385	1.2
404.15884	0.8
404.20447	0.6
405.16293	0.5
405.21405	2.0
406.21588	1.3
407.22543	0.9
416.20251	0.4
417.16910	1.3
417.21295	0.9
418.17935	1.0
419.18594	2.7
419.22659	2.1
421.24188	2.6
429.17029	0.8
430.17700	0.4
431.18433	1.4
431.22980	1.3
432.19464	1.3
433.19727	2.9
434.21075	1.2
435.21909	1.4
442.17413	0.6
443.18781	1.0
444.19510	1.0
445.20209	3.2
446.21161	1.6
447.22693	3.2
448.22806	1.8
449.23572	5.5
457.20013	0.6
458.21201	1.2
459.21954	4.2
460.22656	1.0
461.19751	2.1
461.24979	0.5
462.20572	1.3
463.21252	1.9
473.23166	0.5
474.45490	0.4
475.20404	1.7
476.21964	5.9
477.22842	4.4
489.22968	2.9
490.23761	0.7
493.22449	0.5
503.24460	1.4
505.22662	1.0
519.23846	0.6
520.24084	0.4
521.22278	1.4
531.23737	0.4
532.24329	0.6
533.25690	2.8
535.27557	3.2
545.25201	1.8
547.27228	2.5
563.26563	18.6
564.26508	0.7
591.25781	1.5
593.28259	0.5
595.28986	1.1
605.27655	3.7
606.28369	5.4
623.28656	100.0
624.28979	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	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
55.05507	1.6
55.21238	0.5
57.03440	0.6
67.05507	3.4
69.07079	0.9
71.56174	0.9
78.68791	0.5
79.05486	1.6
80.76479	0.5
81.07045	3.6
83.08643	0.5
87.53295	0.6
91.05491	2.4
93.07055	2.3
95.04967	1.0
95.08589	2.1
97.06541	0.7
105.07030	1.9
107.04982	0.6
107.08598	2.0
109.10169	1.1
117.07014	1.1
119.08591	1.3
131.08591	1.1
133.10083	0.7
145.10146	0.9
147.11652	1.0
159.11713	0.9
171.11658	0.6
242.33334	0.5
246.52869	0.7
289.17972	0.9
344.31711	0.6
375.16183	0.6
389.17609	3.6
390.18573	1.2
391.19220	2.6
402.18958	0.6
403.19556	3.0
404.20142	1.2
405.20782	7.5
406.21408	1.3
416.20047	0.8
417.16339	6.2
418.17932	2.4
419.18277	2.7
431.18335	6.6
432.19397	7.2
432.23938	0.6
433.20175	8.4
433.25455	0.8
443.18423	0.9
444.19437	0.7
445.20544	3.3
446.21094	0.7
449.23563	1.7
459.21869	1.9
461.19662	2.4
462.20621	1.0
463.21228	2.1
475.21182	1.3
476.22174	4.2
477.23480	4.7
478.24014	0.6
491.24652	1.3
504.21866	1.0
519.23914	21.0
520.24414	1.0
521.21881	0.7
535.25824	0.7
547.23718	0.7
551.26398	0.9
563.26544	13.1
579.25958	5.4
623.28632	100.0
623.44415	2.5
624.29199	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.01876	1.5
55.05519	3.5
57.03440	0.7
65.03954	0.4
67.05505	6.1
69.03430	0.4
69.07076	2.6
69.64490	0.8
69.64900	1.8
70.50422	0.3
70.85442	0.3
71.04995	0.5
79.05500	5.1
81.03420	0.6
81.07064	5.8
83.04994	0.6
83.08634	1.8
86.76665	0.4
88.17496	0.3
91.05495	5.0
93.07056	4.2
95.05019	0.9
95.08627	4.2
97.06539	1.2
97.10189	1.4
105.07030	4.5
107.04951	1.0
107.08617	3.1
109.06512	1.0
109.10183	1.6
115.05476	0.5
117.07050	2.8
119.08585	2.8
121.06559	0.5
121.10156	0.9
123.08113	0.5
123.11764	0.5
125.09626	1.5
128.06276	0.6
129.07019	1.6
131.08563	3.1
131.48587	0.4
133.06624	0.4
133.10153	2.8
135.08051	0.8
135.11751	0.9
137.09648	0.4
140.34703	0.3
141.06961	0.6
142.07787	0.4
143.08585	1.7
145.10106	2.4
147.08119	0.4
147.11732	1.3
149.09676	0.7
149.13347	0.4
155.08582	1.0
157.10176	1.4
159.08150	0.4
159.11751	1.3
161.13313	0.6
162.39682	0.3
162.97382	0.3
163.11224	0.6
167.08611	0.9
169.10199	1.4
170.35138	0.3
171.11766	1.4
173.13313	0.8
179.14368	0.7
181.10164	0.6
183.11734	0.9
185.13338	1.1
189.11296	1.1
195.11774	0.7
197.13281	0.7
207.11789	0.6
209.13269	0.5
221.13252	0.5
225.16469	0.4
237.16420	0.5
239.17975	0.4
247.20689	0.4
249.16478	0.4
257.19055	1.0
275.20038	2.4
291.19666	0.6
375.16315	0.8
376.17215	0.4
379.29956	0.6
389.17627	1.4
390.18390	0.6
391.19177	1.0
401.17807	0.9
402.18478	1.0
403.19656	1.9
404.20041	1.4
405.20587	1.8
415.19339	1.4
416.20163	1.3
417.17108	2.1
417.21017	1.9
418.17535	0.5
419.22595	5.1
428.16260	0.6
429.17236	1.5
430.17606	0.8
430.22787	0.5
431.18753	3.7
431.23126	1.7
432.19562	1.5
433.20343	2.3
435.21606	0.6
443.18503	3.6
444.19476	1.5
445.20175	8.5
446.20984	5.9
447.22134	6.3
448.22629	0.7
449.23453	1.3
457.20450	1.2
458.21124	1.2
459.21902	4.2
460.23044	0.6
461.20084	1.4
462.20456	2.1
463.21320	2.7
473.23569	1.0
475.21338	1.8
476.22025	5.6
477.22928	5.9
478.23486	0.7
489.23480	2.0
490.23578	0.7
491.20901	1.1
501.23325	0.4
503.25095	0.5
505.21771	0.4
505.26144	1.1
517.21777	0.4
521.21936	0.8
525.35693	1.2
531.24213	0.5
531.38379	0.6
533.25562	15.5
534.25867	0.4
545.25311	1.2
563.26575	17.4
564.26855	0.7
591.26038	0.6
592.26459	0.4
593.27606	4.5
605.27295	1.3
605.42133	1.6
623.28687	100.0
623.43066	8.7
624.28894	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
62.03126	0.4
65.10020	0.4
67.05504	1.7
69.07073	0.9
69.35603	2.0
69.36020	1.4
79.05502	1.3
81.03445	0.5
81.07067	1.6
84.96519	0.4
91.05498	1.4
93.07059	1.2
95.08624	1.1
98.21120	2.0
105.07063	0.9
107.08598	0.6
109.10167	0.7
119.08611	1.4
131.08582	1.0
133.10146	0.8
155.08604	0.5
157.10223	0.9
159.11673	0.4
169.10110	0.5
211.87961	0.5
225.14154	0.4
230.61783	0.4
248.39790	0.5
388.17160	0.5
389.17520	1.0
390.18610	0.8
391.19510	2.1
401.18103	0.5
402.18530	0.7
403.19244	1.9
404.20261	0.9
405.21143	2.3
407.22311	1.1
415.19531	1.0
417.20773	1.9
418.17365	0.9
418.22284	0.6
419.22821	2.8
420.23401	0.7
421.23929	0.5
429.16443	0.6
429.21353	0.7
430.17487	0.7
431.17963	2.8
431.23703	0.7
432.18958	1.1
433.20209	5.9
434.21033	1.0
443.18863	1.5
444.19519	1.9
445.20087	3.6
446.20718	2.5
447.21988	4.8
448.22766	2.0
449.23218	0.7
458.20923	5.9
459.21753	5.5
460.22684	4.2
462.20642	0.9
463.21237	2.6
471.21860	0.7
473.23254	1.2
475.21082	1.0
476.22052	1.2
477.22784	1.4
485.23914	0.8
486.24573	0.6
503.24701	0.6
505.22446	0.5
505.25714	0.5
517.22461	1.0
518.23029	4.6
521.21844	1.6
528.30536	0.5
530.23126	0.6
531.23975	0.6
533.25586	7.4
534.25952	0.7
535.27325	2.8
537.59338	0.5
545.25250	2.9
545.96613	0.5
546.26495	1.0
563.26563	5.6
573.24158	0.6
577.28552	0.9
591.25513	0.6
605.27655	12.8
605.42285	0.6
623.28638	100.0
624.28729	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	1.6
57.99831	0.8
59.05000	1.2
67.05500	2.0
67.30646	0.7
69.07084	0.7
70.06584	2.0
71.08657	1.4
71.34630	1.4
79.05481	1.3
81.07051	1.6
85.10163	1.4
89.06045	2.8
91.05511	1.1
93.07079	1.3
95.08613	1.2
96.34474	0.8
107.08630	0.9
109.03078	0.8
116.07103	1.1
117.09186	0.9
127.10393	0.7
131.08591	1.3
133.08611	1.6
135.03104	0.8
137.90544	0.7
177.11240	0.9
223.12358	0.8
228.18159	0.7
376.17166	0.8
391.19373	1.5
401.18033	1.4
404.20346	1.7
405.20694	4.6
406.21735	1.0
413.17883	1.0
415.19342	3.0
417.21121	1.9
419.18246	1.0
420.23007	1.8
421.23981	1.9
427.19470	1.6
429.20929	4.1
430.21817	1.9
432.23236	0.9
433.19809	4.1
434.20187	1.1
443.22498	1.1
444.23218	1.6
445.20047	1.5
446.21039	1.5
447.17938	2.3
447.22464	1.3
448.22440	2.2
457.23883	2.8
458.24884	1.7
459.21964	3.5
460.22726	3.9
461.19168	11.7
462.20334	1.4
472.22537	2.6
473.19595	1.4
475.20877	5.9
476.22031	14.4
477.26938	1.5
485.23529	11.9
486.20236	3.8
488.22119	1.7
489.22928	3.6
497.23416	1.6
500.22089	2.0
503.24481	11.8
513.23132	1.8
515.24536	9.8
521.25397	10.2
531.23871	18.5
531.31415	1.6
532.24255	1.0
535.23773	3.1
536.24152	1.7
541.22272	1.3
545.25555	1.9
549.24884	12.5
559.23529	10.2
563.26392	3.8
564.26788	1.4
591.26086	46.0
592.26776	1.0
623.28632	100.0
624.28967	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16060	0.3
54.70263	0.4
55.05509	0.5
57.07046	0.5
58.31158	0.4
65.07181	0.4
66.05755	0.4
67.05487	0.7
74.02570	0.4
79.05505	0.6
81.07040	0.8
87.04431	0.4
89.06040	0.4
93.07057	0.8
93.39707	0.4
95.08622	0.9
105.07045	0.7
116.54257	0.3
119.24393	0.4
159.11819	0.5
234.10957	0.5
336.92349	0.4
361.14639	0.4
375.16394	0.6
376.17038	0.5
389.18671	0.7
390.18622	0.7
391.19263	1.5
402.18509	0.6
403.19739	0.9
404.20828	0.9
405.20975	2.2
406.21405	0.8
413.18076	1.1
414.18515	0.6
415.19214	2.5
417.21030	0.8
418.17725	1.1
419.17953	1.9
420.23383	0.8
421.23953	1.7
428.20261	0.7
429.20715	3.0
430.21994	1.3
431.18463	0.9
432.19092	0.7
433.19824	3.3
442.21820	0.8
443.22449	1.2
444.23312	1.3
445.20148	1.3
446.16733	0.6
447.17496	4.1
448.22794	2.6
449.23566	0.9
451.21375	0.5
452.22031	0.8
455.18863	0.4
457.24454	2.0
458.25177	0.5
459.21671	3.7
460.22885	2.6
461.19525	10.1
462.20984	0.6
463.21310	0.7
470.21103	0.4
472.22635	1.9
473.18939	0.6
475.20923	3.5
476.21979	17.1
477.22870	2.2
485.23560	9.2
486.19901	2.2
487.24979	1.8
488.21912	1.3
489.22815	1.8
491.21173	1.4
497.24124	0.5
500.22296	0.7
503.24527	8.1
513.22589	0.8
515.24493	6.8
517.25970	0.5
519.24286	0.7
521.25610	6.6
531.23932	14.0
532.24316	0.6
535.23505	1.4
536.23547	2.7
545.25537	4.7
548.24646	0.6
549.24982	10.3
559.23340	6.1
563.26563	4.9
564.26556	1.3
591.26068	28.5
605.26837	1.1
623.28613	100.0
624.29004	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05692	0.7
60.43166	0.7
67.02813	0.8
68.52921	0.6
71.26741	1.0
71.27086	1.2
225.04121	0.7
376.17050	0.8
377.17798	1.7
378.18954	1.2
389.18393	1.0
390.18869	1.6
391.19208	3.3
392.20267	3.3
393.20605	2.0
399.16232	1.0
400.17126	2.0
401.17310	1.7
403.19885	0.9
404.21063	0.9
405.20810	5.4
406.21625	4.8
407.22345	14.1
412.18170	1.0
413.17471	3.5
414.18326	3.5
415.19464	4.3
416.20557	1.3
417.20905	1.4
419.22571	1.6
420.23227	2.1
421.23859	12.4
422.24896	3.7
422.68851	0.9
427.19269	2.2
428.20114	3.8
429.20804	13.1
430.21732	2.1
431.22952	1.6
433.20206	2.7
433.24762	1.7
434.24872	1.1
442.21664	3.0
443.22440	8.5
444.23557	6.3
445.20193	1.6
447.17999	1.2
452.22266	0.9
455.18799	1.3
456.19284	1.9
457.24969	4.2
458.25217	7.8
459.21878	7.1
460.22733	2.8
461.18912	5.2
462.20459	2.6
463.21136	1.4
470.21356	1.7
471.22260	1.3
472.22736	7.0
473.23608	2.8
474.20886	0.9
475.21191	4.9
476.21533	4.2
477.22552	4.0
485.23566	16.5
486.19992	2.4
486.24243	3.7
487.21140	1.1
488.22241	2.6
489.22781	3.3
493.56735	0.9
499.21359	4.2
500.22369	1.4
502.23389	1.5
503.24576	8.6
504.25430	1.3
513.22778	4.6
514.23926	2.4
517.26215	8.5
529.26385	0.9
530.22925	1.0
531.24176	1.3
535.27087	6.8
545.25519	89.3
546.25842	3.2
563.26270	1.4
564.27252	1.1
573.24908	18.6
591.26099	1.2
605.27606	94.5
606.27936	2.9
623.28693	100.0
624.29077	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01867	3.4
55.05515	15.0
57.03438	2.0
57.07064	0.9
60.80873	0.8
65.03926	1.9
67.05511	22.3
69.03429	2.3
69.07072	9.8
70.74110	1.5
71.04995	1.4
74.62341	0.7
77.03951	1.0
79.05499	18.6
81.03439	4.3
81.07063	18.9
83.04980	2.4
83.08620	7.1
86.08026	0.8
91.05490	17.7
93.07056	12.5
95.04957	4.3
95.08620	12.2
97.02924	1.2
97.06532	2.4
97.10178	7.1
105.04514	1.2
105.06371	1.5
105.07038	13.7
107.04990	2.2
107.08605	10.3
109.02904	0.9
109.06542	2.5
109.10160	6.5
109.43784	0.7
111.08081	1.2
115.05470	2.5
117.07027	8.5
119.08581	9.9
121.06499	1.1
121.10136	4.4
123.04440	0.8
123.08082	1.1
123.11702	1.8
125.09628	6.4
128.06262	2.3
129.07025	7.3
130.07796	0.9
131.08589	10.6
133.06546	1.1
133.10150	4.5
135.08075	2.0
135.11705	2.7
137.09659	0.9
137.13338	0.8
141.07007	4.0
142.07771	1.8
143.08592	7.8
145.06528	1.0
145.10159	8.1
147.11699	5.2
149.09576	0.8
149.13237	0.9
151.11232	0.9
153.07013	1.3
154.07782	1.2
155.08604	6.7
156.09348	0.9
157.10162	6.3
159.11693	5.3
161.09666	1.3
161.13249	1.7
163.11224	1.2
165.07108	1.5
166.07771	1.1
167.08601	2.9
169.10161	7.0
171.11688	7.0
173.09601	1.0
173.13316	2.9
177.12759	1.0
179.08554	1.2
181.10181	5.0
183.11731	6.8
185.13237	3.7
187.14926	1.9
189.11258	4.0
189.16443	0.8
193.10149	1.8
195.11691	3.6
197.09616	0.8
197.13327	4.2
199.11293	0.9
199.14847	2.3
203.48651	0.7
205.10149	1.3
207.11780	1.9
209.13297	3.4
211.14879	2.0
213.16454	1.9
215.14125	1.0
219.11746	0.8
221.13358	2.4
223.14977	1.7
225.12595	0.9
225.16374	1.8
227.12785	3.5
233.13298	1.0
235.12628	0.8
235.14809	1.2
237.16319	1.6
239.18002	2.8
241.19641	1.5
249.16507	0.9
251.97664	0.8
253.19641	1.1
257.19165	1.3
259.20715	1.8
263.17990	1.0
271.16949	1.0
273.14468	0.8
273.18475	1.0
275.20129	2.4
277.19476	0.8
291.19492	6.5
297.22006	0.9
300.14920	0.8
363.16098	0.9
363.26840	1.4
364.17651	0.9
365.24609	1.0
376.17215	2.1
377.17667	2.3
378.18585	1.7
379.30057	4.2
387.16229	1.6
388.17804	0.9
389.17847	2.0
390.18875	1.9
391.19363	4.2
392.19919	1.6
393.20712	3.6
399.16629	1.3
400.16959	1.8
401.17783	4.0
402.18558	1.4
403.19168	2.9
404.20508	1.1
405.16550	1.6
405.21371	1.9
406.21942	1.2
407.22211	3.7
413.17828	2.3
414.18506	2.6
415.19235	5.1
416.20209	2.2
417.16748	1.6
417.21567	1.4
419.18561	3.5
419.29449	1.1
421.20169	5.1
427.19376	1.7
428.19873	2.5
429.20651	3.9
430.21692	1.6
431.18692	1.4
433.15793	1.2
433.20587	1.2
435.21878	3.1
441.16922	1.1
443.17831	1.6
443.22507	3.4
444.19165	4.6
445.24957	1.4
446.21399	1.2
447.17346	5.2
448.18958	3.2
449.19867	1.8
451.31918	0.9
456.19476	1.4
457.20264	2.4
458.20972	2.4
459.18195	2.6
460.18533	1.3
461.19769	3.0
462.20880	2.1
463.21375	3.1
471.22513	7.5
472.17938	1.1
472.23257	1.6
473.19742	3.2
473.24564	1.4
474.20248	2.3
475.21066	3.1
476.18201	2.2
477.18362	1.3
477.24167	1.2
483.21835	0.9
484.19327	1.0
485.19672	2.3
486.20502	4.6
489.23627	9.3
490.19498	6.8
491.20761	3.3
493.22202	1.6
499.21307	18.5
500.22043	1.5
501.23288	5.8
503.20819	6.0
507.23993	2.5
508.24683	1.1
511.20947	0.9
513.19110	2.5
513.37006	1.4
514.20270	1.7
516.21594	1.4
517.22217	11.1
518.22369	2.4
521.21722	1.2
525.35834	3.8
527.20844	2.2
529.22528	9.9
531.38257	3.4
535.23480	6.1
536.24109	2.0
545.21893	49.4
546.22174	2.4
549.24768	1.9
549.39288	2.4
550.26239	1.9
553.35168	1.3
554.36176	1.0
555.20184	2.2
563.22595	7.3
564.23126	4.3
567.39569	0.9
573.21442	15.1
577.24451	1.2
579.30078	1.2
591.22150	1.2
595.25470	1.2
605.23981	98.2
605.41858	9.6
606.24237	2.3
623.25067	100.0
623.42731	44.3
624.25037	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.01854	2.4
55.05514	8.1
57.03445	4.2
57.03658	0.7
58.43272	0.7
65.03954	0.9
65.69157	0.9
67.05179	1.1
67.05508	14.6
69.07067	5.8
70.95573	1.5
71.04980	1.5
79.05492	12.6
81.03418	1.3
81.06586	0.9
81.07060	14.9
83.04958	1.3
83.08613	3.7
85.06525	1.6
91.05478	15.2
93.07047	11.3
95.04959	2.1
95.08605	11.1
97.06522	3.2
97.10162	1.7
99.08080	2.6
105.07031	10.9
107.04937	1.5
107.08597	7.0
109.06512	4.8
109.10166	3.8
111.08067	1.0
115.05455	1.6
117.07030	5.1
119.08584	8.5
121.10136	3.3
123.08070	1.4
123.11687	1.4
125.09635	0.9
128.06195	2.4
129.07013	4.5
131.08585	7.4
133.10147	5.6
135.08095	1.0
135.11676	2.5
137.09570	1.4
141.06956	3.4
142.07736	1.3
143.08566	5.6
145.10132	7.7
147.08066	0.9
147.11737	3.7
149.09561	1.8
149.13257	1.2
153.07021	1.5
154.07758	0.9
155.08604	5.0
156.09337	1.1
157.10155	5.6
159.08063	1.5
159.11685	4.4
161.13303	1.3
163.11140	0.9
165.06987	0.9
167.08583	3.2
169.10146	7.4
171.11703	3.5
173.09590	1.0
173.13269	2.0
178.07686	0.7
179.08582	1.9
180.09335	1.0
181.10107	5.5
183.11641	4.1
185.09656	0.9
185.13231	2.5
187.11209	0.9
187.14850	1.5
189.12692	1.0
191.41449	0.8
192.09300	0.9
192.11794	0.8
193.10124	2.6
194.10822	0.8
195.11696	4.0
197.13261	3.4
199.14812	1.9
201.12814	0.8
205.10179	0.8
207.11729	3.2
209.13278	4.1
211.14764	1.9
213.12817	0.9
219.11652	1.8
219.17416	2.2
221.13190	2.2
223.14833	2.5
225.16354	0.9
227.17860	0.8
233.13193	1.0
235.14690	1.4
237.16389	1.7
239.17900	1.6
245.13118	0.8
249.10242	1.0
249.16275	1.0
251.17892	0.9
255.17485	0.8
257.18979	3.1
273.18652	0.9
275.20074	5.8
284.33704	0.7
321.21878	0.9
323.23636	0.9
325.21585	0.9
349.23624	1.0
350.16205	1.0
377.17642	1.7
378.18179	1.3
387.16342	1.6
390.14072	1.2
390.18536	0.9
391.19397	3.6
392.19766	2.1
393.20688	2.0
395.29568	1.2
399.15826	1.4
400.16928	0.9
401.17661	3.1
402.18213	0.8
403.19427	1.2
405.21069	1.3
407.22162	2.9
413.17682	1.1
414.18564	1.7
415.19211	3.1
416.20258	1.4
417.20920	1.0
419.18683	1.8
421.20261	1.2
427.19296	1.4
428.20087	1.8
429.20758	2.7
430.22055	0.9
431.18597	1.5
433.16617	2.3
435.21585	2.3
443.22913	1.4
444.19440	1.4
445.20203	2.2
446.21014	1.1
447.17664	4.6
448.18954	1.5
449.23785	1.4
458.20789	2.2
459.18063	2.3
459.32370	1.6
461.19690	2.8
462.20361	3.1
463.21423	1.3
471.22202	5.2
472.22974	1.0
473.19882	2.8
474.20715	3.6
475.21085	3.3
485.19772	2.6
486.20508	3.4
487.21930	0.8
489.17651	1.1
489.22729	4.9
490.19528	5.5
491.20630	4.3
499.21512	8.7
500.18594	0.9
501.22433	2.7
503.20380	4.1
507.23511	1.2
513.18921	3.1
513.37048	2.9
514.19763	1.8
516.21289	1.3
517.22375	13.4
518.22485	1.8
519.19574	1.1
527.20563	1.8
529.22388	8.1
531.20154	2.2
531.38373	3.7
533.36316	1.0
535.23193	3.6
536.24078	1.5
545.21820	26.5
546.21985	1.5
549.39160	2.5
551.37616	5.5
563.24878	2.2
564.23334	3.1
573.21320	7.7
577.24133	3.1
591.22650	4.0
605.23926	40.6
605.41071	6.6
606.24292	2.3
623.24951	100.0
623.42462	37.0
624.24603	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	623.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01867	1.3
55.05500	1.4
57.03415	1.0
61.02926	0.8
65.03935	1.4
67.05489	3.5
68.99802	3.5
69.03436	6.7
69.07069	3.5
70.84591	1.1
71.01366	2.7
71.04964	1.0
73.02915	1.0
75.29620	0.5
79.05495	5.1
81.03420	7.7
81.07059	20.7
83.04990	3.0
84.08141	0.7
85.02909	7.3
87.00841	5.0
91.04951	0.9
91.05479	8.0
92.21548	0.5
93.07034	3.2
95.04958	1.5
95.08608	8.5
97.02888	4.9
97.06517	0.8
99.04439	2.2
99.08093	13.6
103.05458	1.3
105.01860	2.0
105.03395	0.5
105.07042	3.5
107.04942	2.5
107.08602	2.3
109.02876	6.1
109.06508	1.0
109.10162	1.2
110.03633	0.5
111.04422	0.6
115.02171	0.5
115.05446	1.1
117.07013	1.1
119.04947	14.0
119.08572	2.3
121.06512	1.6
121.10143	1.5
123.04442	3.1
123.08034	0.9
125.06004	0.7
125.09648	0.5
127.03922	6.0
128.06252	0.6
128.22314	0.5
129.01888	0.6
129.06995	1.2
131.04903	1.0
131.08591	1.5
133.02827	1.2
133.06505	4.7
133.10115	1.0
134.97685	0.5
135.04431	0.8
135.08018	0.6
135.85037	0.6
137.05981	1.8
137.13197	0.5
138.03113	5.5
143.08611	1.1
145.06456	0.7
145.10124	1.4
147.04413	60.6
147.08052	1.3
147.11659	2.5
149.05946	3.2
153.05470	92.2
154.05734	0.9
157.06541	0.5
159.02905	2.0
159.04285	0.7
159.08041	1.2
161.05952	3.3
161.09578	0.7
162.03117	2.2
163.03938	0.7
163.07538	1.2
165.05479	1.4
167.03409	1.1
167.07045	3.7
169.05042	0.6
171.08154	0.7
171.11699	0.9
173.05936	1.9
173.09572	1.2
175.07532	0.7
175.11180	0.8
177.05478	22.1
177.09099	0.9
179.07042	23.1
179.10582	1.5
181.06566	1.1
187.07552	1.3
189.12834	0.6
191.07014	2.2
191.10626	2.4
193.04962	1.6
193.08623	3.6
199.07489	0.9
199.11208	0.7
203.07025	2.3
203.47003	0.5
205.08624	1.4
205.12146	2.4
207.10121	1.0
211.07542	1.0
213.09006	1.2
217.08618	1.6
217.12210	4.3
219.06558	0.7
219.10066	0.7
223.07489	0.8
229.08604	1.2
231.10181	2.0
233.08202	0.7
237.09109	0.8
241.08505	1.1
245.08011	0.8
247.09694	0.6
255.10153	0.7
259.09698	1.1
259.13135	0.6
265.08423	0.8
269.08099	0.8
271.09702	0.7
275.09167	1.2
277.10715	0.9
283.09894	1.0
287.09106	1.8
287.16440	0.8
289.10696	1.9
299.12784	2.1
301.10703	6.8
311.16354	0.6
339.15912	2.8
357.16953	100.0
358.17438	1.6
358.47418	0.5
375.18030	41.7
376.18353	0.8
418.79147	0.6
461.29620	0.7
555.34381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13351	0.5
53.03934	1.9
55.01862	1.8
55.05497	0.6
57.03431	1.2
58.08701	0.5
61.02939	0.9
61.94731	0.6
63.37601	0.4
65.03930	0.5
67.05506	1.0
68.99789	2.0
69.03431	5.3
69.06734	0.5
69.07077	7.0
69.27621	0.4
69.27944	4.4
71.04985	0.7
73.02901	1.6
79.05505	2.4
81.03422	6.4
81.07043	1.0
83.08614	0.4
85.02912	11.9
87.00837	5.3
91.03951	0.5
91.05463	2.4
93.07024	0.9
95.04990	1.0
95.08627	1.2
97.02914	4.9
98.21474	0.6
99.04430	2.2
101.15889	0.5
104.28011	0.6
105.01884	2.5
105.07027	2.5
107.04958	1.4
109.02887	4.4
109.10143	1.0
110.03673	0.7
115.05444	0.9
117.01889	1.2
117.06990	0.6
119.04963	1.1
119.08588	0.5
121.06489	0.5
123.04436	3.7
123.11728	0.5
125.05980	1.4
127.03929	6.0
128.06203	0.4
129.01831	1.0
129.44452	0.4
131.08525	0.5
133.06479	2.4
135.04413	3.3
137.05986	1.9
138.03137	4.8
141.07021	0.5
143.08466	0.5
144.66386	0.4
145.04974	1.6
145.06464	1.2
147.04425	6.1
149.06013	3.9
153.05473	100.0
154.05789	0.8
159.02908	2.8
159.04176	0.6
160.05231	0.5
161.05998	6.7
165.05475	2.0
167.07039	1.2
173.06036	2.6
177.05516	1.5
179.07010	2.8
185.06081	1.3
187.07538	0.7
189.05501	2.5
191.07039	0.7
191.10667	11.0
199.07506	0.9
203.07011	1.1
211.07478	0.4
213.09105	0.6
215.07057	0.9
215.10614	3.5
217.74396	0.6
227.07031	1.2
229.12090	0.6
231.06642	0.6
233.11755	1.5
243.06572	0.9
251.07063	0.5
257.08234	1.2
257.11722	1.9
260.50714	0.5
269.08163	0.7
279.34885	0.4
289.10593	0.5
299.12738	1.0
301.10706	18.7
313.10794	1.7
325.10834	2.1
339.28876	1.4
343.07892	0.9
343.11789	11.7
355.11777	1.2
357.16998	2.7
367.11801	8.6
369.17151	0.5
381.16998	0.9
391.11670	0.6
391.33511	0.5
397.12885	1.7
403.13913	1.8
409.12772	9.0
421.14767	0.8
423.17999	0.6
447.18066	0.8
465.19220	1.2
513.13977	8.6
531.15070	7.0
547.12830	0.5
549.16016	6.4
594.06201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33022	2.7
53.03939	7.6
55.01855	2.9
55.05511	11.0
57.03447	4.3
57.07074	3.0
65.03935	5.3
67.05513	17.4
69.03433	20.4
69.07072	16.5
70.06599	12.7
71.55567	4.0
72.08149	9.0
74.06129	3.1
79.05495	8.2
81.03442	15.1
81.07062	22.5
83.04988	13.9
83.08624	5.0
84.04520	4.0
84.08142	13.9
85.02908	32.2
85.06526	4.3
86.09701	7.1
87.00847	7.5
91.05485	12.2
93.07041	14.0
95.04982	8.8
95.08608	33.8
97.02885	20.6
97.06531	10.2
97.10172	5.3
99.04462	7.0
103.05482	2.7
105.01871	5.6
105.07045	14.7
107.05000	3.7
107.08593	28.1
109.02888	15.9
109.06553	4.0
109.10163	76.0
111.08102	5.9
117.03416	3.4
119.04971	5.9
119.08587	44.2
121.02895	3.9
121.10148	17.3
122.10518	3.0
123.08096	13.7
123.11732	5.3
125.09611	4.3
127.03946	17.9
127.07506	3.4
129.10229	3.8
133.10124	26.7
135.08080	3.6
135.11707	89.2
137.05998	5.7
137.09631	14.4
139.03857	3.1
139.11165	3.1
145.02837	5.0
145.04984	6.5
145.10124	6.2
147.04405	17.2
147.11601	3.0
149.13278	6.4
151.03903	6.4
151.11183	7.1
151.14838	12.0
153.05482	10.5
155.10817	3.4
157.10107	3.3
161.13347	3.1
163.03902	6.7
165.12793	3.8
165.16411	3.6
167.03400	5.5
167.07043	18.9
175.14812	39.9
177.05394	14.6
179.07100	4.1
193.15894	65.3
209.15492	3.4
211.16942	100.0
243.06310	4.0
300.06299	13.1
315.08658	76.3
316.09024	3.5
319.22885	3.2
337.23105	3.6
355.15454	4.5
373.16699	18.5
493.33755	19.0
621.27264	8.8
621.38348	73.5
629.15417	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	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52653	0.4
54.24674	0.4
68.70611	0.4
69.22079	1.8
69.22512	2.4
72.56914	0.5
79.29842	0.4
85.31350	0.4
88.86476	0.5
102.20947	0.4
108.79240	0.4
114.15480	0.5
176.41350	0.4
207.09055	0.5
209.10718	0.8
214.95992	0.4
235.12296	0.5
290.34735	0.4
359.13092	0.4
372.15063	0.5
373.14789	0.6
375.16254	1.2
386.15982	0.5
387.16141	1.2
388.16943	1.8
389.17731	4.4
390.18329	2.7
391.19290	0.7
400.17386	0.5
401.18121	1.9
402.19037	2.6
403.19409	6.6
404.20090	3.7
405.20636	2.2
413.17618	0.6
415.19290	1.3
416.15353	2.0
416.20743	1.0
417.16940	3.9
417.20901	3.8
418.17392	1.1
418.22223	0.9
419.22385	11.3
429.16586	0.7
429.21249	0.6
430.17743	1.8
431.18204	10.5
432.19107	3.9
433.20181	2.3
443.18646	1.4
444.19476	1.0
445.20169	9.5
446.20959	6.0
447.21826	13.7
457.20322	0.6
458.21130	0.5
459.17914	2.7
459.22345	2.2
460.18149	0.8
460.23206	0.8
461.19858	1.1
471.18127	0.5
473.19495	2.0
473.24619	0.7
474.20389	14.0
475.21310	19.4
476.21588	0.8
487.21375	5.3
488.22131	1.9
489.22867	0.6
501.23041	4.1
502.24030	0.6
505.25742	1.6
518.23041	0.9
529.22369	1.3
533.25537	13.7
534.25659	0.6
546.22723	1.6
561.24988	84.4
562.25421	3.9
589.24695	3.0
593.27722	3.6
621.27100	100.0
622.27399	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05507	0.3
64.34988	0.3
67.05503	0.4
79.05492	0.3
81.07026	0.3
81.79871	0.2
83.08607	0.3
83.89798	0.3
91.05516	0.4
93.07035	0.3
106.88857	0.3
131.08609	0.4
170.31578	0.2
209.10768	0.3
221.10786	0.3
223.12303	0.4
249.10196	0.3
251.36469	0.2
286.13614	0.3
373.14667	0.4
374.15521	0.6
375.16162	0.9
376.17047	0.3
386.16174	0.3
387.16266	0.7
388.17084	1.1
389.17679	2.7
390.18564	1.2
391.19260	0.8
400.16205	0.3
401.17664	1.1
402.14020	0.4
402.18994	1.4
403.15598	0.4
403.19443	5.1
404.20071	2.8
405.20807	2.8
413.17703	0.3
415.19424	0.8
416.15479	1.3
416.20538	0.7
417.16180	4.2
417.21133	2.5
418.17435	0.7
418.21698	1.2
419.22397	7.5
420.22992	0.6
427.19577	0.4
429.16705	0.5
429.21634	0.4
430.17932	1.3
430.22638	0.5
431.18112	7.0
431.23395	0.9
432.18820	2.3
433.20041	2.6
443.18683	0.8
444.19662	0.9
445.20099	6.6
446.21021	6.7
447.21841	9.6
448.22885	0.5
457.20779	0.4
459.17264	0.9
459.21939	2.2
460.18121	0.5
460.23425	0.4
461.19574	1.5
463.20996	0.3
473.19492	1.2
473.23935	1.1
474.20325	6.2
475.21268	8.1
477.23279	0.5
487.21259	3.1
488.22165	0.7
490.23059	0.3
491.20166	1.4
501.23083	1.5
502.23532	0.5
503.20935	0.4
504.22281	0.3
505.25687	1.1
517.22418	0.3
518.23254	0.6
519.20740	0.9
529.22522	0.6
533.25525	14.7
534.26141	0.3
546.22412	0.7
561.24982	22.2
562.25385	1.1
589.24701	1.5
593.27704	3.9
594.28729	0.3
620.56073	0.3
621.27087	100.0
622.27399	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	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
69.98100	0.7
69.98448	1.8
98.21137	1.1
141.22342	0.4
221.10828	0.5
256.99411	0.4
270.25562	0.5
375.15695	0.7
376.17062	0.6
388.17117	0.8
389.17868	2.7
390.18442	1.1
391.19202	0.8
401.17871	1.1
402.18567	1.5
403.15262	0.5
403.19434	3.9
404.20102	2.5
405.20953	2.4
415.19788	0.6
416.15750	0.8
416.20602	1.0
417.16238	3.8
417.21420	1.5
418.17349	0.9
419.17520	0.8
419.22449	7.7
420.22964	1.0
430.17548	0.7
431.18097	6.2
432.18857	2.3
433.19928	2.5
445.20251	6.2
446.20975	6.4
447.21857	12.3
459.21957	2.4
460.22876	1.0
461.19702	1.4
473.19113	1.2
473.24591	0.7
474.20490	6.0
475.21237	7.7
478.23972	0.5
487.21442	3.5
491.20532	1.0
501.22968	1.7
505.26062	1.4
518.23285	0.7
526.39050	0.5
529.22119	0.9
533.25537	15.6
561.24988	23.2
562.25195	1.0
589.24146	0.7
593.27448	5.1
621.27112	100.0
622.27271	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	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.02174	0.3
67.05505	0.9
69.91952	1.5
71.08604	0.3
81.07056	0.6
89.35284	0.3
93.07006	0.4
94.88446	0.3
118.43185	0.4
143.87862	0.4
374.15338	0.4
375.16110	0.7
387.16461	0.8
388.17120	1.0
389.17725	2.7
390.18430	1.4
391.19348	1.0
401.18030	1.6
402.18652	1.4
403.19333	3.5
404.19977	1.9
405.20938	1.9
413.17310	0.5
415.14713	0.6
415.19403	1.0
416.20309	0.8
417.17032	2.0
417.21017	2.2
418.21881	0.8
419.22385	4.3
420.23206	0.6
429.21255	0.6
430.17615	0.8
431.17935	3.8
432.19577	1.3
433.19827	0.8
445.20505	5.5
446.20883	3.2
447.21790	6.2
457.20377	0.4
458.21909	0.4
459.18253	3.2
459.22952	1.1
460.18271	0.7
460.23813	0.4
461.19724	2.2
473.19949	1.8
474.20303	9.2
475.21271	13.0
476.21887	0.5
487.21353	3.6
488.21960	1.4
501.22861	2.2
502.23911	0.6
505.25882	1.4
517.23120	0.5
518.23480	0.5
519.20490	1.0
529.22510	0.6
532.25232	0.5
533.25482	7.1
546.22650	0.6
561.24994	32.0
562.25519	1.5
565.27966	0.5
589.24670	1.6
593.27704	1.1
621.27075	100.0
622.27625	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47604	0.4
55.01868	0.5
55.05516	2.3
57.03433	0.6
57.15400	0.4
59.04995	0.4
61.02913	1.5
65.03922	0.5
67.05502	1.1
67.05839	0.3
68.99809	0.4
69.03432	35.8
69.07077	0.6
70.06591	2.7
70.10211	1.2
71.01342	1.3
71.04992	4.2
72.08143	1.1
79.05486	1.1
81.03407	0.7
81.07045	1.5
82.06586	2.6
83.04986	10.3
84.04509	0.5
84.08122	1.2
85.02911	5.4
87.00803	0.4
87.04470	1.0
91.05460	1.2
93.07050	0.9
95.04973	0.7
95.08608	1.0
97.02898	1.6
97.06528	0.5
99.04507	0.7
100.07628	0.5
105.07040	0.9
107.04961	0.6
107.08578	0.8
109.02886	0.6
109.06544	0.4
109.10172	0.7
111.04446	9.7
116.07092	0.6
119.08576	0.7
120.99599	0.5
121.02866	1.6
121.10143	0.7
127.03914	1.0
128.06351	0.3
128.07083	9.8
129.05484	20.3
129.07440	2.6
133.02789	0.4
133.10094	0.5
135.04533	0.4
135.11751	0.5
137.02400	0.4
137.05977	0.8
138.02185	1.1
147.04407	1.8
151.07596	0.4
153.01807	1.7
153.05492	1.1
159.11783	0.6
160.07504	0.4
163.03969	0.8
165.01787	1.3
183.02921	0.5
189.07596	6.5
213.05492	1.1
241.04918	0.8
258.05298	0.6
287.05505	100.0
288.05804	0.9
303.13403	0.4
315.12595	0.5
332.13654	0.6
333.13684	0.7
379.08081	0.5
397.09143	0.9
433.11368	6.9
621.23920	1.6
638.43079	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.2
55.01866	10.8
55.05506	16.3
55.09596	5.8
57.03417	16.8
67.05504	53.5
69.03435	69.4
69.07059	22.1
70.06596	8.4
70.28362	11.4
70.28751	11.6
73.02933	9.4
79.05495	57.1
81.03410	32.8
81.07060	70.2
83.04970	6.7
83.08624	9.7
83.99653	7.4
85.02911	100.0
91.05490	39.2
93.05199	6.0
93.07043	46.3
95.04950	12.2
95.08610	46.4
97.02905	40.4
97.06506	7.2
97.10137	7.1
99.04466	9.7
101.02340	10.6
105.07043	38.5
107.08624	30.7
109.02866	16.7
109.06503	7.8
109.10131	25.1
115.03941	6.5
117.07016	17.1
119.08579	24.7
121.10141	22.2
127.03927	58.8
129.07028	10.4
131.08588	20.9
133.06491	8.2
133.10110	21.4
135.11754	10.9
136.06122	6.8
143.08589	15.4
145.04938	22.9
145.10132	24.5
147.08011	9.1
147.11682	17.5
149.02322	24.7
149.05934	6.0
149.09651	8.2
149.13252	8.7
155.08519	7.7
157.10097	11.1
159.11681	16.9
161.13260	11.2
163.05891	6.3
171.11603	10.3
173.13269	9.8
180.08669	10.2
181.10205	6.8
185.13258	12.8
193.04938	10.1
195.11841	9.4
197.13161	7.6
199.11188	10.2
199.14813	7.6
246.80244	7.1
259.20499	7.3
261.22250	12.7
277.21762	10.5
279.23401	6.1
285.22092	9.4
303.23251	16.1
319.22617	7.3
341.24893	9.4
351.23236	7.8
359.25443	6.4
369.24228	37.4
387.25333	48.1
394.29333	7.9
405.26477	43.4
423.27325	15.1
506.46753	6.9
530.84131	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	620.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03945	7.4
55.01872	15.9
55.05517	11.9
57.03444	6.8
57.07067	1.4
57.52513	0.8
61.02935	1.4
65.03942	2.2
67.01856	1.5
67.05508	47.1
68.05819	0.8
69.03432	35.0
69.07076	9.5
71.01350	0.9
71.04993	10.2
71.56165	0.9
71.56573	1.1
73.02927	9.3
79.05495	31.7
81.03423	44.6
81.07062	48.7
83.04980	2.4
83.08620	5.3
85.02909	18.8
85.06574	1.5
91.05483	16.7
93.07050	39.6
95.04971	2.8
95.08613	46.2
97.02896	37.4
97.06531	2.9
97.10155	2.6
99.04459	64.5
101.02378	4.0
105.07036	14.3
107.04990	1.0
107.08601	20.1
109.02885	39.9
109.06499	1.6
109.10162	22.3
111.04443	11.4
111.08082	1.4
117.07027	5.9
119.08583	11.6
121.10159	19.1
123.04405	0.9
123.11724	10.8
127.03921	100.0
128.04259	0.9
129.05515	2.1
129.07010	1.8
131.08566	9.8
133.10127	9.9
135.08072	1.0
135.11694	12.2
137.09648	1.5
137.13226	4.1
143.08606	1.3
145.04971	17.5
145.10120	9.2
147.11708	8.2
149.13263	8.7
151.11182	1.0
151.14861	1.2
157.10118	1.5
159.08066	1.0
159.11716	7.1
161.09572	1.0
161.13243	6.5
162.07538	0.8
163.14839	3.6
165.12743	1.3
171.11720	2.6
173.13261	7.8
175.11115	0.9
175.14830	2.5
177.12685	0.8
177.16418	1.3
180.08662	1.2
185.13261	1.8
187.14854	2.2
189.12776	1.2
191.14322	1.0
197.13264	1.1
199.14894	1.6
201.16461	1.2
203.14412	1.1
205.15976	0.9
241.19714	1.3
243.21149	5.5
259.20590	6.5
261.22147	21.5
273.22119	1.1
277.21671	9.1
279.23260	5.4
303.23291	1.4
313.21457	1.1
315.23325	1.4
323.23901	0.9
327.23230	1.1
339.23227	2.0
341.24969	1.3
351.23251	1.7
357.24243	3.8
359.25729	1.6
369.24371	5.8
377.26685	0.9
387.25311	4.5
394.28946	0.9
405.26376	10.0
423.27438	36.4
424.27600	1.0
604.20496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
54.25596	0.6
55.01872	0.9
55.05497	1.5
56.05025	2.4
57.03422	1.6
61.02924	6.4
67.05499	2.6
68.05025	1.5
69.03430	4.3
69.07081	1.0
70.06593	3.4
70.77377	1.5
71.04989	1.1
72.08152	2.0
73.02921	4.7
79.05482	1.7
80.05015	2.1
81.03422	6.0
81.04540	4.0
81.07058	2.8
81.84509	0.7
82.05311	1.4
83.04989	1.1
83.06108	19.1
83.08617	1.9
83.52005	0.8
84.04501	1.1
84.08138	1.1
85.02908	8.4
86.09734	0.8
87.04475	1.0
91.03957	2.9
91.05471	1.9
93.04539	8.6
93.07063	1.0
95.04971	2.2
95.06094	21.9
95.08617	0.9
97.02895	7.3
101.02393	1.4
105.07079	1.8
107.06081	6.1
107.08554	0.8
108.05627	2.2
109.06469	1.5
110.07169	70.4
111.05552	5.8
111.06109	0.6
111.08109	0.9
112.08744	3.1
113.07133	1.3
115.03944	0.8
116.07090	0.8
116.79230	0.6
119.06102	1.3
119.08582	1.8
120.05637	1.5
120.49497	0.7
121.07636	4.1
121.10143	1.3
122.07141	1.1
123.04424	1.0
123.09194	1.6
127.03923	1.0
128.07036	1.7
130.06575	0.7
131.05978	3.3
133.06557	0.7
133.07564	3.3
133.63892	0.7
134.07068	0.8
136.08626	1.1
147.04431	1.5
147.11647	0.8
148.06216	1.2
148.08681	2.8
149.07137	0.8
156.07703	11.4
157.10120	1.1
163.03896	0.8
175.11115	0.9
179.03403	2.0
183.06581	1.1
187.10829	0.7
193.12297	1.6
230.15341	0.7
247.18115	1.0
257.16550	2.4
275.17566	10.0
284.17651	1.7
285.16049	3.3
287.17545	1.0
293.18686	2.5
302.18542	4.6
303.16876	1.9
311.19662	1.0
320.19736	8.0
321.18008	1.6
323.19559	1.5
338.20694	9.6
339.18997	1.2
348.19241	1.0
349.21310	3.0
366.20251	1.7
367.22226	16.5
376.22321	1.7
377.20905	2.9
378.23700	1.1
384.21237	1.6
385.23474	1.5
394.23447	7.4
395.21704	7.5
397.23373	2.2
412.24402	24.0
413.23077	0.9
414.25891	2.0
426.43735	0.9
440.23877	13.7
456.27243	2.8
458.24976	85.7
459.25500	2.3
459.73398	0.9
574.19409	0.9
576.31110	1.0
577.51349	0.7
602.29443	8.4
620.30286	100.0
621.30615	3.9
628.40796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01889	1.1
56.05036	2.7
57.03427	2.8
61.02941	6.4
67.05524	2.1
68.05038	2.7
69.03437	5.1
70.06602	5.5
71.04984	1.0
71.54374	1.2
72.08176	3.1
73.02921	4.8
76.90978	1.0
79.05486	2.5
81.03434	7.0
81.04553	2.4
83.06114	20.9
83.08602	2.7
84.08170	3.3
85.02911	8.6
86.06029	1.1
91.03965	2.1
91.05489	3.4
93.04535	10.6
93.07034	1.6
95.05003	3.2
95.06102	21.3
95.08567	1.5
97.02908	7.5
105.01837	1.2
105.07019	1.3
107.04964	1.5
107.06094	3.1
109.02921	3.0
109.06502	1.7
110.07178	100.0
111.05586	7.3
112.08758	3.5
113.07187	2.0
116.07124	3.0
121.07662	2.0
121.10185	1.7
127.03937	3.8
128.07098	2.1
130.06477	1.2
130.08672	1.1
131.06097	2.0
131.08627	1.2
133.07654	1.7
133.10225	1.1
136.06223	4.0
137.06024	1.6
139.04976	1.7
145.05011	1.3
147.04378	5.2
147.11615	1.4
148.06189	8.9
148.08720	1.5
156.07703	17.0
163.03944	1.2
164.07140	1.3
177.05507	1.4
190.07312	3.7
193.12311	1.7
208.08447	1.7
247.18089	1.7
257.16577	1.4
259.10361	1.1
275.17615	2.7
284.17596	1.7
285.16107	2.1
293.18625	1.5
300.39093	1.2
302.18817	2.9
303.17102	2.2
304.20279	1.7
320.19720	9.4
321.18134	2.0
323.19748	1.3
338.20728	15.2
348.19226	1.4
349.21683	1.4
352.12729	1.9
366.20432	2.4
367.22186	9.5
376.22522	2.4
377.21017	2.0
384.21179	2.3
394.23315	6.0
395.21762	8.7
412.24484	30.2
414.26096	2.3
422.22858	1.5
440.23938	14.9
456.27289	3.0
458.25037	92.0
459.25580	2.3
488.19708	7.8
500.26331	1.5
540.29102	1.4
602.29443	3.0
620.30377	98.6
621.30383	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	620.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01879	3.5
59.95131	2.0
61.02921	3.0
63.88871	2.4
67.05477	2.2
68.99789	3.3
69.03425	13.2
70.06617	4.5
71.56174	3.4
72.08134	3.3
74.35337	2.2
76.12082	2.0
79.05482	5.8
81.03432	11.6
81.07067	3.5
83.59294	2.4
85.02915	19.8
87.00824	5.5
91.05465	11.0
93.07058	4.8
95.04998	2.6
97.02296	2.4
97.02866	10.3
97.06538	2.3
99.04462	3.6
105.01836	6.0
105.07015	5.2
107.04964	2.5
108.57043	2.1
109.02900	10.4
109.10163	3.9
111.59612	2.2
119.04952	9.4
119.08587	2.9
121.10181	2.8
125.06069	2.0
127.03945	20.3
129.07066	2.3
131.08522	2.9
133.06535	2.8
133.10172	3.7
135.04449	2.2
138.03148	4.9
140.60945	1.9
143.08565	6.6
145.04948	6.3
147.04419	31.1
147.11688	3.6
153.05476	100.0
153.27481	1.9
154.05807	3.1
159.02876	7.5
159.11623	2.8
161.05989	4.2
161.09637	4.9
171.08076	10.2
174.06779	3.6
175.07498	3.1
179.07037	13.5
182.04039	2.1
189.09128	48.8
203.10690	6.6
215.10664	4.4
231.05019	3.3
231.10222	5.2
283.50150	2.2
301.10840	2.2
355.11349	2.9
355.15436	40.5
379.15405	5.1
389.43436	2.4
397.16544	16.4
421.16476	4.5
463.17569	4.5
540.03876	2.0
567.18427	6.5
585.19629	14.4
603.20892	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01862	1.0
56.05019	0.9
65.03957	5.2
67.05508	48.9
68.05007	1.0
68.99809	0.9
69.03437	3.9
69.07075	11.1
69.50826	1.8
69.51249	2.8
70.02952	0.6
70.06596	77.5
71.04980	2.1
72.08146	0.8
73.02927	1.1
77.61149	0.6
80.05040	0.6
81.03406	5.2
81.07037	0.6
82.06567	1.6
83.04961	1.2
84.08145	9.6
85.02913	8.1
86.06700	0.5
86.09722	1.7
87.00871	0.7
89.06027	1.0
91.05469	0.9
94.06571	12.4
94.08493	0.7
95.04972	50.4
96.08119	0.7
97.02900	6.8
97.06503	1.0
99.04446	1.8
99.90366	0.5
106.06565	1.2
108.08117	1.8
109.02874	5.1
110.06054	1.0
112.07611	72.7
113.05994	3.0
121.02895	1.0
124.07598	2.4
126.09107	0.6
127.03917	6.0
128.07072	2.1
130.08661	5.8
136.07582	4.8
137.02344	2.9
138.05551	3.1
145.04941	1.9
147.04475	0.8
148.07504	0.8
153.01840	2.1
154.08635	7.2
156.06563	1.5
163.03941	0.8
165.01869	1.9
166.02637	0.8
172.09676	5.1
178.08658	2.7
183.04358	0.6
187.05956	0.7
190.08626	1.5
201.05515	1.1
206.60461	0.6
208.09885	0.9
214.10764	1.0
216.57939	0.7
220.09727	2.0
222.70917	0.7
229.04982	3.8
232.11827	0.7
238.10742	12.9
256.11795	15.5
256.14319	1.1
257.04614	1.8
274.12863	55.3
285.04010	1.6
286.60260	0.6
300.10800	2.7
303.04999	100.0
304.05362	1.8
318.11816	4.5
345.06110	0.7
576.17133	8.7
620.15985	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	619.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
54.79087	0.4
55.01863	1.3
55.05496	0.9
57.03420	0.7
57.91128	0.4
61.02923	0.7
65.03931	1.2
67.05505	2.0
68.37572	0.4
68.99788	1.1
69.03439	3.3
69.06734	0.5
69.07076	9.3
70.06596	0.6
70.12793	1.7
71.05000	0.9
72.08159	0.6
73.02917	0.7
79.05495	1.8
81.03047	0.5
81.03429	5.0
81.07047	1.3
83.04956	0.5
83.08608	0.6
85.02918	5.4
87.00835	2.4
91.05484	2.4
93.03409	1.6
93.07030	1.8
95.04964	1.6
95.08589	0.8
97.02892	2.7
97.06530	0.7
97.10143	0.7
99.04470	1.6
103.05453	0.9
105.01889	1.1
105.03365	0.7
105.07043	1.4
107.04946	1.6
107.08578	0.9
109.02886	7.3
109.06438	0.5
109.10168	1.3
111.04436	0.7
117.01838	0.5
119.04950	3.7
119.08575	0.9
121.02869	0.7
121.06496	0.7
121.10126	0.7
123.04431	2.3
125.05989	0.5
126.03148	0.9
127.03912	3.1
131.04915	0.9
133.02843	2.1
133.06474	1.1
133.10133	0.4
135.04433	4.5
137.05980	1.2
137.09563	0.4
137.88774	0.4
138.03105	1.4
140.04686	0.9
141.05490	1.2
145.04974	1.0
145.06474	1.3
145.10104	0.5
147.04430	15.2
147.11655	0.7
149.02382	3.5
149.06036	0.6
151.03920	1.7
153.05484	23.5
157.10162	0.9
159.02892	1.9
161.05997	0.5
163.03920	1.7
165.05493	1.2
166.06255	0.5
167.03416	3.7
169.05005	6.4
175.03931	2.4
175.11151	0.6
176.04640	1.0
177.05473	1.9
179.10683	0.7
181.06546	0.8
183.08005	0.5
185.09612	0.7
187.07486	0.7
189.05566	0.7
193.04993	1.8
197.05928	0.4
203.10699	2.3
205.08640	5.3
209.06026	1.6
213.09058	1.0
217.05003	0.4
217.08618	0.5
226.06247	0.9
227.07056	1.0
229.08687	0.6
231.05031	0.6
231.10172	12.1
232.10992	0.9
237.05595	1.1
241.05040	0.5
241.08611	1.2
245.08061	0.6
253.04953	0.5
254.05919	0.5
255.06578	1.1
265.05066	0.5
269.04669	0.6
269.08075	2.0
273.07269	0.5
274.08527	0.5
275.09055	0.6
282.05197	2.4
283.06161	0.9
287.06012	0.5
287.09140	5.7
297.07611	19.7
302.07864	1.0
315.08658	6.6
329.14441	0.4
343.15466	1.1
353.13882	4.3
371.14923	100.0
372.15189	2.1
387.78775	0.4
619.30945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52068	0.3
53.03949	5.0
55.01874	6.1
55.05508	0.9
55.66903	0.3
57.03439	4.6
58.45556	0.3
59.05004	0.8
61.02925	4.8
65.03942	1.0
67.05504	1.6
68.78707	0.3
68.99786	6.3
69.03429	37.2
69.07066	1.2
70.06596	2.2
70.14984	1.6
71.01350	1.1
71.04989	4.0
72.08154	0.7
73.02917	5.6
79.05489	3.0
81.03417	29.6
81.07059	2.6
82.04181	0.5
83.01343	0.9
83.04973	1.0
84.08163	0.4
84.96372	0.4
85.02905	55.2
85.06549	0.7
87.00831	20.4
87.04432	0.9
91.03940	1.4
91.05479	4.9
93.03417	0.6
93.07027	2.1
95.04977	1.7
95.08620	1.7
97.02898	17.4
97.06509	0.5
98.20892	0.5
98.53766	0.4
99.04453	10.5
99.05108	0.5
101.02364	0.9
102.91376	0.4
103.03934	1.5
103.05478	0.4
105.01870	12.3
105.03360	0.4
105.07048	2.1
107.04960	2.2
107.08596	2.4
109.02881	29.0
109.06489	0.4
109.10146	1.4
110.03657	1.1
111.04411	0.8
114.32352	0.4
115.03944	1.3
115.05461	0.6
117.01852	2.8
117.07005	0.5
119.04944	3.8
119.08582	1.6
121.06508	1.1
121.10165	0.9
123.04402	0.9
123.11691	0.5
125.05984	1.6
127.03918	45.1
128.06194	0.4
129.01842	4.2
129.07001	0.8
131.04922	2.4
131.08566	1.3
133.02832	0.9
133.06496	1.0
133.10135	1.2
135.04404	2.1
135.08064	0.9
135.11668	0.8
137.02307	0.5
137.05963	1.0
137.09631	0.4
138.03107	7.3
138.04073	0.6
141.05533	0.4
141.06984	0.7
142.07732	0.5
145.04967	11.0
145.06218	0.7
145.06470	0.5
145.10159	0.9
147.02893	3.2
147.04404	10.4
147.08049	0.6
147.11667	0.6
149.02396	0.7
149.05965	0.7
149.09651	0.8
149.13240	0.9
150.03123	0.6
151.03894	0.4
153.05467	100.0
154.05791	0.7
157.10092	1.1
159.02893	13.9
159.04257	0.8
159.08070	3.0
159.11664	0.5
161.05992	2.3
161.09636	2.4
162.06813	0.4
163.03896	1.4
163.07541	9.1
165.05475	1.1
167.03401	1.4
167.07045	1.3
167.08453	0.6
169.04964	2.9
171.02841	0.8
171.08084	1.0
173.06010	1.1
173.09610	0.5
173.13254	0.5
174.06712	0.5
175.07555	1.6
177.05592	1.8
177.09102	6.3
179.07068	3.1
183.07977	0.7
185.06062	0.3
185.09651	2.3
187.07532	4.5
189.03932	1.1
189.05492	0.6
189.09128	2.6
190.06203	0.6
191.07021	0.5
191.14235	0.5
193.04968	0.5
195.06505	0.9
199.07574	0.8
201.09171	0.7
203.10614	0.5
205.08600	45.0
206.09045	0.5
207.10101	2.0
213.03810	1.9
213.09163	1.2
217.08568	0.7
219.10095	0.6
225.09071	0.6
229.08594	3.6
231.04987	6.9
231.10155	7.9
247.09581	3.2
253.08568	0.6
267.10147	0.6
269.07889	0.5
271.09586	2.1
295.09583	0.9
299.09045	2.5
303.05054	0.8
313.10791	3.3
321.11215	0.8
323.09073	0.6
325.14462	2.0
335.12683	0.7
339.12106	0.8
341.09766	0.5
353.13858	4.9
353.52203	0.4
357.71371	0.4
369.13260	1.5
371.14880	30.0
372.14786	0.4
383.10046	0.4
383.14740	0.5
395.14801	1.6
407.14764	0.6
413.15689	0.6
417.11584	1.2
435.12607	0.6
437.16129	0.9
461.15668	1.1
479.16742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.6
55.01868	1.5
57.03457	1.6
60.14237	1.2
67.05489	1.8
69.03444	7.7
70.06580	4.2
70.50337	3.6
70.50687	2.2
72.08153	4.2
78.04729	1.7
79.05498	6.9
81.03407	4.7
81.07027	1.7
84.08131	2.4
85.02916	10.5
87.00838	3.3
91.05476	6.8
93.07043	2.5
93.86868	1.5
95.04976	3.6
97.02901	7.0
97.06493	1.7
99.04443	3.6
103.05476	2.1
104.63146	1.3
105.01902	2.4
105.07018	8.5
106.04204	1.5
107.04974	12.0
107.08693	1.3
109.02884	4.1
109.06528	1.3
115.05460	4.2
119.04895	2.9
119.08570	2.6
121.06582	2.0
121.10097	1.8
123.04473	6.6
124.05221	5.2
125.05991	2.1
127.03937	7.0
128.06236	3.0
128.07094	3.3
129.07002	5.4
131.04932	5.3
132.05687	3.7
133.06519	6.4
133.10179	1.7
135.04398	1.3
137.05965	2.5
145.06471	1.7
147.04396	4.2
147.08084	2.6
148.07503	1.4
149.05988	1.8
152.04712	2.9
153.05470	7.0
159.02916	1.8
159.08072	5.4
160.05215	2.9
161.05962	8.9
161.09695	1.5
163.07558	1.7
166.72290	1.3
167.07053	100.0
168.07454	1.8
169.06502	2.1
171.08089	1.4
172.05205	2.7
175.07555	26.7
176.04808	1.5
177.05492	2.7
177.47838	1.4
180.00661	1.5
184.05194	1.5
187.07559	18.8
189.09117	3.6
190.07764	2.3
191.07042	10.1
191.66327	1.4
199.07518	8.9
203.08626	3.3
205.06555	1.5
206.07335	1.4
207.08113	2.2
207.13872	1.5
215.08563	2.0
217.08629	2.8
218.07364	2.7
219.08020	3.4
221.09593	3.9
229.02547	1.5
231.08002	1.8
233.09769	3.2
234.06697	2.8
235.07564	2.6
246.06635	2.6
247.07510	2.9
249.09103	7.7
250.09773	2.0
259.07587	1.5
260.08539	3.1
261.09152	6.6
263.07108	2.4
266.09451	2.4
277.08493	3.6
278.09415	3.7
279.06613	1.8
281.11765	8.1
289.08624	4.3
290.09229	1.7
291.10217	2.2
293.11749	3.8
302.07144	1.4
306.09021	2.7
307.09604	1.6
309.11212	6.6
310.11877	1.5
321.11154	11.4
322.11734	2.0
325.14877	1.8
326.11691	1.9
341.13840	32.2
353.13831	21.4
371.14737	1.8
427.38000	1.5
526.41138	1.5
619.24377	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
53.84315	1.1
55.01863	1.5
55.10134	0.9
61.02921	1.1
69.03421	4.5
70.06580	1.4
70.44159	2.8
72.08152	1.1
73.02959	1.2
78.04710	3.5
79.05502	5.4
81.03432	4.7
84.08179	1.2
85.02917	7.3
87.00819	2.9
91.05488	5.0
95.04964	2.3
97.02911	3.0
98.09669	1.1
99.04461	2.4
103.05457	2.5
105.01884	2.4
105.07039	5.9
106.04187	1.6
107.04958	12.6
109.02867	3.7
115.05464	2.3
117.07030	1.7
118.04156	1.7
119.08534	2.3
123.04420	6.4
124.05214	3.4
127.03930	6.0
128.06238	2.6
129.07013	7.7
131.04936	3.7
131.08565	1.4
132.05722	2.5
133.06543	4.7
137.05968	1.7
145.04968	1.5
145.06509	2.5
147.04298	1.1
147.08041	2.9
149.06015	1.8
151.03938	1.7
152.04657	3.0
153.05489	3.2
155.07050	1.2
159.08101	5.8
160.05173	2.2
161.06015	8.1
167.07053	100.0
168.07364	1.6
172.05237	2.0
175.07565	26.6
176.04659	1.8
177.05446	1.8
179.07077	1.4
187.07533	18.6
189.07039	1.1
189.09142	2.3
190.07748	1.7
191.07027	11.8
191.08588	1.4
193.08571	1.1
199.07581	8.3
201.09142	1.1
202.07761	1.7
203.08585	3.1
206.07281	1.3
209.08046	2.4
215.08556	1.6
217.06494	1.3
217.08568	2.5
218.07318	2.7
219.07988	2.9
221.09665	3.7
231.08060	2.5
232.08844	3.6
233.09634	4.5
234.06781	2.8
235.07579	2.1
243.08214	1.1
246.06705	2.4
247.07590	2.3
249.09117	5.2
250.09824	1.5
251.07007	1.6
259.07574	1.8
260.08313	1.7
261.09167	4.2
263.06973	2.5
265.08743	1.1
266.09363	1.8
277.08578	3.2
278.09354	2.8
281.11734	7.1
283.09698	1.1
289.08688	5.6
290.09238	2.3
291.09973	1.0
293.11719	2.1
295.09604	1.4
295.37335	1.0
307.09787	1.9
309.11316	7.5
310.11752	1.1
311.08914	1.0
321.11240	12.7
322.12082	1.4
323.09134	1.3
325.14377	1.2
326.11563	2.4
328.53748	1.4
333.30658	1.0
338.11597	1.8
341.13867	32.6
351.12512	1.3
353.13831	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	619.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97289	1.1
53.03947	9.6
55.01869	6.9
57.03444	7.0
61.02934	4.6
65.03934	1.2
67.05499	1.5
68.99790	5.3
69.03436	42.5
70.61407	2.4
71.04977	4.3
73.02922	6.9
79.05491	1.7
81.03422	38.5
81.07055	1.8
82.67119	1.0
83.01306	1.4
85.02911	69.1
87.00833	25.7
87.04417	1.8
91.03947	1.4
91.05464	3.4
93.07030	1.1
95.04957	1.9
95.08586	1.6
97.02280	1.7
97.02892	20.9
97.56410	0.9
99.04458	11.7
100.74995	0.9
103.03938	2.7
105.01874	18.7
105.03508	1.0
105.07031	1.8
106.42793	0.9
107.04971	3.1
107.08608	1.6
109.02887	37.4
109.06463	1.6
109.10137	1.6
109.14734	0.9
117.01862	3.5
117.07072	1.1
119.04895	2.5
119.08508	1.0
123.04436	1.2
125.05958	1.3
127.03927	60.1
129.01859	5.8
131.08542	1.5
135.04414	2.7
138.03136	6.4
145.04947	13.7
147.02878	4.0
147.04388	6.6
149.09636	1.2
153.05473	100.0
159.02907	20.5
159.08041	2.4
161.06062	2.0
163.03864	2.1
163.07565	8.6
175.07556	2.0
177.04007	1.3
177.05460	1.6
177.09163	6.0
179.07022	3.4
187.07568	4.6
189.09145	1.9
205.08612	56.9
213.03880	2.8
229.08597	3.9
231.05026	10.6
231.10100	2.8
247.09645	4.6
271.09647	2.2
291.85815	1.1
313.10623	2.0
353.13895	1.4
371.14911	9.7
416.26788	1.1
479.16721	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.0
55.01873	5.3
55.05505	1.6
57.03444	5.6
59.04986	2.2
61.02924	3.8
65.03947	1.8
67.05503	3.9
68.99802	5.1
69.03434	35.5
69.07058	2.5
70.06601	3.9
70.11968	2.3
71.01364	1.0
71.04990	4.2
72.08134	1.7
73.02625	0.5
73.02924	6.0
74.06075	1.3
79.05499	3.8
81.03421	28.8
81.07049	5.6
83.01337	1.0
83.04978	1.2
83.08612	0.9
84.08163	1.0
85.02909	51.4
85.06549	1.5
86.09695	1.3
87.00833	18.8
87.04447	0.9
91.03944	1.5
91.05494	5.6
93.07052	3.4
95.04952	3.0
95.08612	4.4
97.02899	21.8
97.06522	0.7
97.10148	0.7
99.04459	12.6
101.02379	1.3
103.03926	1.6
103.05461	0.6
105.01869	11.5
105.07032	3.9
107.04965	2.2
107.08599	3.2
109.02884	30.8
109.06532	1.0
109.10155	3.1
110.03726	0.8
111.04427	0.8
111.08075	0.7
115.03937	0.6
115.05426	0.7
116.07089	1.4
117.01856	2.3
117.07017	0.9
119.04929	4.5
119.08566	2.4
120.08137	1.1
121.06472	0.9
121.10158	2.6
123.04418	1.4
123.08068	0.7
123.11723	0.8
125.05993	1.6
127.03923	44.4
128.07094	0.9
129.01854	3.6
129.06981	1.3
131.07076	0.8
131.08551	2.7
132.08905	0.6
133.06488	1.1
133.10144	2.9
134.03622	0.7
135.04417	3.0
135.08095	1.3
135.11664	1.7
137.05957	2.0
137.13268	1.0
138.03128	8.4
143.08534	1.2
144.06589	0.9
145.04962	13.9
145.06259	0.9
145.06552	0.8
145.10153	1.2
147.02901	2.7
147.04411	15.9
147.07965	0.7
147.11681	1.8
149.05983	0.8
149.09642	0.9
149.13252	1.0
151.11136	0.9
153.05472	100.0
157.10132	0.9
159.02902	13.7
159.04176	0.5
159.08070	2.3
159.11700	1.0
161.06004	2.5
161.09637	0.8
163.03928	1.5
163.06287	0.4
163.07545	12.3
163.11122	1.0
163.14815	0.6
164.07079	0.9
165.09099	0.9
167.07059	2.9
169.04967	1.7
171.11743	0.8
173.13243	0.9
175.07550	1.6
177.05499	2.2
177.09084	7.0
179.07036	3.6
185.09613	1.2
187.07535	4.1
189.03966	1.5
189.09015	0.9
189.16571	0.7
190.06241	1.0
191.10716	0.8
191.14394	0.7
195.06471	1.0
201.09146	1.2
201.79338	0.5
203.10733	0.7
205.08611	55.1
206.08878	0.7
207.13858	0.6
209.15404	0.7
213.03960	1.7
213.08829	0.9
229.08603	2.5
231.05080	8.6
231.10158	4.5
247.09700	2.6
255.10329	0.7
264.71494	0.5
271.09586	1.7
280.26236	0.5
287.08997	0.8
295.10123	0.6
297.07666	1.0
311.10040	0.6
313.10852	1.8
315.08539	1.0
319.98251	0.7
329.11087	0.9
338.74402	0.5
353.13638	2.6
369.13303	1.1
371.14893	19.6
395.14844	1.2
417.11823	1.0
435.12524	0.7
461.16318	0.9
601.26245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01880	1.3
55.05505	2.0
57.07106	0.8
65.03930	2.5
67.05492	2.6
68.99774	1.6
69.03437	5.3
69.07074	10.1
69.14944	0.5
70.06586	0.8
71.04979	1.0
71.45079	1.1
72.08158	1.1
73.02928	1.0
73.28091	0.6
79.05494	2.9
81.03414	5.0
81.07061	3.7
83.04980	1.4
84.54604	0.6
85.02921	6.6
86.09718	0.7
87.00810	2.5
91.05491	2.9
93.03405	1.5
93.07038	2.7
95.04967	2.5
95.08598	2.5
97.02888	3.1
97.06510	1.6
99.04423	1.0
103.05447	0.9
105.01881	1.6
105.03410	1.0
105.07017	3.0
107.04962	2.1
107.08584	2.7
109.02888	5.5
109.06541	0.9
109.10157	1.5
110.03680	0.9
111.04415	1.1
111.08096	0.8
115.05466	0.6
119.04954	2.0
119.08585	1.5
121.02842	1.7
121.06533	1.3
121.10136	1.4
123.04442	2.4
125.06002	1.4
127.03939	5.2
129.06911	0.7
131.04903	1.2
131.08556	1.5
133.02861	1.6
133.06476	1.0
133.10144	1.6
135.04419	2.4
135.11684	1.5
137.05980	2.5
138.03125	8.3
140.04700	1.2
141.07031	0.8
142.07674	0.6
143.08553	1.2
145.04932	0.9
145.06500	1.3
145.10107	1.3
147.03239	0.8
147.04419	12.1
147.11646	1.2
149.02335	4.4
149.05980	1.8
151.03879	3.6
153.05472	82.0
154.05768	1.1
157.10176	0.8
159.02914	1.2
159.11656	1.0
161.06027	0.8
161.13208	0.9
162.03065	0.7
163.03911	3.6
163.11223	0.8
164.04677	0.6
165.05516	3.3
165.09125	0.7
167.03403	12.4
167.08553	0.8
169.04976	5.4
173.06076	0.6
175.03946	2.2
176.04718	1.3
177.05505	4.2
181.06534	0.8
181.12096	0.9
187.07523	1.4
189.05531	1.1
189.09081	1.5
193.04955	1.6
197.82458	0.6
199.07501	0.7
203.10674	2.3
205.08629	11.8
207.10172	15.1
209.05919	1.1
212.04782	0.7
213.09186	1.2
219.10214	1.1
227.07002	1.0
231.10172	9.9
231.12276	1.0
237.05597	1.4
241.04982	0.8
241.08658	1.0
254.05466	0.7
255.06618	1.9
269.08249	2.9
271.05798	0.8
271.83124	0.6
272.06677	0.8
282.05292	1.5
283.06024	1.9
285.07791	1.0
287.05933	1.2
287.09204	5.0
297.07599	15.4
297.11111	0.5
298.04773	1.5
298.08105	0.9
299.05219	1.7
300.05447	1.1
301.06912	0.8
301.14349	1.0
302.07767	3.3
303.08673	0.8
313.07062	5.7
314.07462	5.7
315.08563	19.9
353.13782	2.3
369.13269	3.8
371.14899	100.0
372.15311	1.7
390.19934	0.7
619.20923	0.9
619.31024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
53.03710	0.5
53.03945	6.7
55.01871	6.5
55.05507	0.8
57.03436	5.5
59.05002	1.0
61.02929	4.1
65.03940	0.7
67.05479	1.0
68.99792	6.1
69.03429	40.1
69.07046	0.6
69.52417	2.5
69.52834	0.7
70.06582	1.0
71.01361	1.2
71.04986	4.0
73.02923	5.7
79.05505	2.3
81.03419	32.3
81.07044	1.4
83.01356	0.7
84.61427	0.5
85.02907	58.0
87.00832	23.2
87.04465	1.0
91.03941	1.3
91.05483	3.6
93.07069	1.0
94.04252	0.5
94.99518	0.4
95.04984	1.5
95.08605	1.2
97.02893	19.1
97.03519	1.1
99.04455	13.0
101.02379	1.3
102.50541	0.4
103.03925	1.7
103.05489	0.5
105.01178	0.9
105.01865	14.2
105.07030	1.3
107.04951	1.6
107.08585	0.9
109.02882	32.3
109.06521	0.6
109.10168	0.6
110.03654	0.7
111.04330	0.6
115.03973	0.7
117.01865	3.2
117.06991	0.6
119.04940	3.0
119.08582	1.3
121.06548	1.1
121.10133	0.8
123.04451	1.2
125.05987	1.5
127.03921	53.6
129.01837	4.0
129.07072	0.6
131.08591	1.4
135.04433	2.4
135.08023	0.7
137.05995	1.1
138.03111	7.6
145.04951	13.6
147.02901	4.3
147.04407	6.4
149.06012	1.0
149.09586	0.8
153.05466	100.0
154.05779	0.9
159.02893	15.8
159.07980	2.4
161.05981	1.6
163.03873	1.4
163.06241	0.4
163.07542	13.0
163.79941	0.4
167.07080	0.7
175.07549	1.8
177.04051	0.6
177.05528	1.4
177.09116	6.2
179.06999	2.9
187.07530	2.9
188.08273	0.5
189.03937	1.4
189.09131	1.5
191.10722	0.5
193.15872	0.5
195.06557	1.5
201.09196	1.0
203.10791	0.6
205.08604	58.0
206.09079	0.9
213.03917	2.2
217.08691	0.9
221.08112	0.7
223.09323	0.5
229.08618	2.8
231.05009	8.6
231.10127	3.4
231.36516	0.5
240.82394	0.4
247.09650	3.4
271.09695	1.5
295.09634	0.6
313.10529	2.4
325.14447	0.5
327.12247	0.5
329.13889	0.5
353.13831	2.5
369.13174	0.6
371.14914	8.2
383.14706	0.7
417.11758	1.0
435.12759	0.6
461.15909	0.6
479.16931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
55.01868	6.2
57.03434	5.7
61.02925	5.2
61.08830	0.4
63.07891	0.5
65.03946	1.0
67.05496	1.3
67.22295	0.5
68.99790	7.7
69.03430	42.6
69.07059	1.1
69.46841	3.5
70.06597	1.4
71.01355	1.2
71.04990	3.9
72.08162	0.5
73.02915	5.9
79.05495	2.2
79.29507	0.4
81.03419	33.1
81.07058	1.0
82.49346	0.5
83.01334	0.7
83.04985	0.6
84.08180	0.5
85.02904	65.6
87.00833	23.6
87.01262	0.3
87.04475	1.5
88.61597	0.5
91.03960	1.7
91.05489	3.1
93.07028	0.9
94.02265	0.6
95.04987	2.0
97.02894	19.1
97.06570	0.6
99.04453	12.9
101.02395	1.3
103.03924	2.4
105.01865	16.5
105.07066	1.1
107.04971	2.4
107.08604	0.8
109.02881	34.8
109.10144	0.7
110.03703	0.9
111.04465	0.7
115.03940	1.2
117.01854	3.2
117.06998	0.6
119.04959	2.9
119.08605	0.6
121.06490	0.8
121.10165	0.8
123.04433	1.0
125.05972	1.4
127.03918	54.6
129.01837	5.8
131.08586	1.5
133.06479	1.1
135.04422	2.5
135.08035	0.9
137.06006	0.7
138.03125	7.2
145.04971	14.9
145.06206	0.9
145.06580	0.7
147.02892	2.8
147.04407	7.1
149.06042	0.7
149.09613	0.6
150.03113	0.5
153.05466	100.0
159.02892	16.4
159.04280	0.6
159.08009	2.5
161.05939	2.2
162.06818	0.5
163.03934	1.0
163.07532	10.7
164.04768	0.5
165.09138	0.5
167.07018	0.7
171.02869	0.6
175.03836	0.6
175.07576	1.1
177.04004	0.6
177.05479	1.5
177.09106	7.2
179.07025	4.6
187.07527	4.9
189.03954	2.1
189.09175	0.8
195.06523	1.1
201.09091	0.8
205.08603	59.5
213.03889	2.1
213.09128	0.6
217.08496	0.9
219.10074	0.6
229.08604	3.0
231.04976	8.2
231.10147	4.7
247.09657	3.7
253.49687	0.5
271.09576	2.6
283.05151	0.5
285.11194	0.5
295.09662	0.9
297.07571	1.3
313.10660	2.6
329.13901	0.5
353.13788	2.0
369.13379	0.8
371.10483	0.7
371.14905	11.0
371.77686	0.5
383.09485	0.5
386.80405	0.5
395.14572	0.7
417.11313	0.8
435.12787	0.7
461.15845	1.6
479.16635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02629	2.5
53.03932	5.8
54.01884	2.7
55.01878	4.5
55.05516	40.7
57.07066	8.8
59.04987	2.6
65.03925	4.7
67.05510	28.2
67.12875	2.3
69.03423	12.5
69.07070	23.9
71.04982	9.2
71.56173	3.3
72.09760	2.9
79.05499	37.1
81.03400	6.4
81.07060	57.8
83.04984	17.5
83.08626	49.1
85.06535	9.3
91.04970	4.1
91.05486	52.0
93.07055	61.9
95.04986	35.2
95.08613	35.8
97.06546	21.0
99.04427	6.5
103.05439	3.9
105.07036	100.0
107.04941	7.7
107.08604	63.4
109.06511	16.7
109.10176	29.1
111.04431	3.2
111.08086	7.9
113.09624	10.7
115.05488	8.0
117.07035	24.6
119.08585	91.0
121.06496	10.9
121.10152	56.2
122.10493	3.9
123.08066	22.4
123.11761	5.0
125.05975	8.3
125.09631	18.0
128.06226	15.9
129.07013	22.4
130.07779	11.1
131.08574	42.9
132.09364	4.0
133.06473	4.0
133.09251	2.1
133.10135	52.0
134.05330	2.9
135.08081	14.8
135.11687	13.8
137.09605	7.6
139.11151	12.4
141.06981	9.3
142.07791	25.3
143.08580	53.1
144.09320	12.5
145.06500	9.3
145.10132	82.5
146.10847	3.9
147.08076	15.0
147.11688	23.3
149.09612	14.6
149.13257	4.2
151.07495	6.7
154.07802	4.4
155.08586	21.1
155.10674	11.6
156.09407	19.7
157.10139	53.7
158.10867	8.1
159.08057	14.4
159.11707	48.2
160.08852	10.8
161.09656	20.9
161.13243	7.7
163.11252	20.9
165.06969	5.9
165.09137	6.9
167.08545	9.8
167.10713	21.7
168.09344	8.6
168.11389	3.7
169.10161	29.5
169.12270	2.8
170.10826	6.5
171.11705	32.5
172.12471	4.1
173.09613	10.3
173.13266	21.2
175.11238	13.9
175.14851	7.8
179.08528	9.7
179.14322	6.6
180.09297	4.6
181.10162	19.1
181.12245	29.1
182.10925	13.0
182.12408	2.8
183.11717	28.6
184.12491	5.4
185.09711	3.3
185.13240	25.2
187.11226	6.6
187.14763	9.0
189.12848	8.4
191.14311	10.4
192.09268	6.8
193.10165	13.5
194.10843	9.1
195.11726	26.7
195.13306	4.2
196.12411	11.3
197.09598	4.3
197.13284	30.9
198.13979	3.7
199.11195	9.1
199.14871	15.1
203.14333	9.6
206.10901	5.4
207.11708	17.7
207.13606	5.8
208.12473	6.9
208.14427	4.0
209.13312	26.2
209.15167	5.3
211.11180	4.0
211.14838	17.6
212.11885	3.3
212.15570	3.9
213.12766	10.6
213.16364	7.1
215.14284	19.1
217.15836	4.6
218.16510	4.4
219.11595	4.2
220.12389	5.1
221.13269	11.0
221.15413	22.1
222.13977	3.6
223.14833	14.5
225.12775	5.9
225.14630	6.7
225.16454	9.0
227.14278	8.0
229.15915	2.9
233.13223	6.5
233.15361	39.6
235.14815	11.7
237.16423	10.7
241.16042	3.3
245.13173	5.6
246.13927	4.9
246.16258	4.0
247.14816	6.8
247.16995	5.9
249.16354	10.5
251.17943	5.4
255.17455	32.5
259.14795	5.3
261.16391	7.2
263.17987	8.7
265.15997	2.9
265.19415	8.0
269.19061	7.0
270.19827	9.4
271.20667	4.9
273.18695	5.3
277.19385	4.1
283.20526	6.1
287.20175	3.8
289.19562	5.1
299.20071	8.0
319.20779	3.5
327.21683	3.6
337.25244	8.0
347.23715	5.7
349.25287	5.2
365.24170	3.1
367.26273	6.6
383.25790	8.3
517.07043	2.9
556.68176	3.5
559.74023	3.8
600.40839	5.0
618.42706	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21864	2.2
51.02394	3.1
53.03946	7.0
55.01871	4.9
55.05514	48.3
57.03436	2.0
57.07072	8.7
65.03951	5.7
67.05505	30.9
69.03424	11.2
69.07068	20.1
71.00877	2.8
71.01214	2.6
71.04986	7.6
79.05492	39.4
81.03404	3.4
81.07060	51.5
82.07357	1.9
83.04984	16.3
83.08624	63.2
85.02917	1.8
85.06532	6.5
87.04481	4.8
91.05482	58.6
93.07048	64.5
93.07635	3.9
95.04983	32.5
95.08610	29.8
97.06529	27.0
99.04458	4.7
103.05471	3.4
105.07034	100.0
106.07336	2.4
107.04937	6.9
107.08601	61.6
109.06519	15.7
109.10159	33.4
111.08095	8.1
113.09678	10.4
115.05474	6.5
116.06266	2.0
117.07018	21.0
119.04968	2.1
119.08588	80.4
120.09447	2.2
121.06493	15.5
121.10152	54.9
123.08080	22.0
123.11720	6.6
125.09644	17.4
128.06219	15.5
129.06996	22.9
130.07784	6.4
131.08580	48.4
132.09367	4.5
133.06485	3.8
133.10139	50.5
135.08044	14.2
135.11685	11.2
137.09604	9.5
139.11218	14.8
141.07004	11.0
142.07791	31.0
143.08566	47.4
144.09363	12.8
145.06505	6.6
145.10129	71.7
147.08063	15.4
147.11694	18.4
149.09636	13.8
149.13260	3.3
151.07535	2.6
151.11215	4.2
152.06276	2.4
153.07005	5.4
153.08992	2.1
153.12730	1.8
154.07770	2.9
155.08582	22.2
155.10643	15.7
156.09337	26.4
157.10136	64.2
158.07373	3.1
158.10953	9.4
159.08038	15.4
159.11703	34.9
160.08864	11.5
161.09619	15.1
161.13249	7.2
163.11185	7.6
165.07019	7.8
165.09164	2.4
165.12744	3.4
166.07822	3.1
167.08569	13.5
167.10661	18.2
167.14342	2.8
168.09364	6.3
168.11078	2.4
169.10162	30.5
169.11714	2.6
169.12198	3.3
170.10886	11.2
171.08174	2.1
171.10243	3.7
171.11676	35.8
172.08914	2.1
172.12418	3.4
173.09619	11.0
173.13258	17.8
174.10445	2.3
175.11189	7.3
175.14833	3.1
177.12735	2.3
178.07742	2.3
179.08531	14.0
179.14334	5.7
180.09340	6.5
181.10144	20.8
181.12254	26.1
182.10989	12.0
183.08063	2.8
183.11700	27.9
184.12482	5.4
185.09639	5.4
185.13289	20.6
186.10416	3.1
186.13818	5.2
187.11198	7.4
187.14810	10.3
189.12784	7.2
190.13541	3.5
191.14346	9.5
192.09366	6.0
193.10165	12.7
193.11739	2.3
194.10936	9.9
195.11717	27.7
195.13576	2.4
196.12466	9.6
197.09639	3.4
197.13266	37.8
198.13954	3.2
199.11226	5.4
199.14835	18.4
200.15497	2.7
201.12796	5.6
201.16444	4.4
203.14368	8.9
205.10152	4.9
206.10918	6.1
207.11731	17.2
207.13803	5.7
208.12547	7.8
208.14507	4.1
209.13289	21.5
209.15154	3.1
210.14021	4.0
211.11189	3.7
211.14807	21.6
213.12773	7.0
213.16408	9.1
215.14287	21.4
217.10257	3.3
217.15822	4.6
218.16733	5.4
219.11739	6.4
220.12418	4.2
221.13255	13.4
221.15402	20.9
222.14009	5.1
222.15912	3.1
223.11205	2.6
223.14815	16.1
225.12721	6.5
225.14864	11.0
225.16534	5.6
227.14214	5.1
229.16003	3.3
231.11703	4.3
231.17484	3.0
232.12485	4.3
233.13200	6.9
233.15343	46.9
234.13939	3.0
234.16150	3.8
235.14803	15.2
235.16895	3.2
237.16588	9.9
239.14215	4.6
239.17908	3.5
241.15833	4.3
243.11684	3.5
244.12511	2.8
245.13190	4.6
246.16238	5.0
247.14818	8.6
247.16959	4.5
248.15538	2.7
249.16444	10.8
251.17993	5.4
253.16010	3.9
253.19434	2.2
255.17476	31.1
257.18912	2.3
259.14865	6.1
261.16302	10.2
262.17285	2.5
263.17993	10.5
265.19540	5.9
267.17526	3.2
268.18182	3.9
269.18909	5.6
270.19849	12.4
271.20435	3.5
273.16153	3.8
273.18774	4.7
275.18005	7.3
281.19049	5.1
282.19788	3.9
283.01947	5.6
283.20462	4.7
285.18793	3.3
286.19464	3.8
287.20200	2.9
289.19528	4.9
295.20691	3.9
299.19998	6.3
307.20490	4.8
309.18530	2.4
309.21878	2.4
313.21802	3.4
317.18866	2.3
331.24142	4.2
333.22141	3.3
334.22986	2.5
335.23831	2.6
337.25238	5.0
347.23502	3.8
349.25220	4.4
360.24454	4.9
365.24640	10.1
367.26508	4.4
373.25269	2.4
375.26471	2.8
383.25900	9.4
399.26797	3.7
407.90079	2.0
414.29089	3.5
429.31262	3.0
457.31039	2.9
517.69543	2.2
567.38593	2.4
582.40430	2.4
585.39471	3.2
600.41736	5.0
618.42877	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.0
53.03940	7.2
55.01862	4.0
55.05513	49.2
57.03400	2.0
57.07083	9.1
57.07307	1.7
59.04990	3.4
65.03928	5.0
67.05511	32.8
69.03429	8.3
69.06726	2.3
69.07070	18.1
70.28419	3.5
70.28809	4.1
71.04984	7.0
71.08618	3.7
73.02864	2.0
76.02213	2.2
77.03938	2.7
79.05066	2.4
79.05497	40.9
80.06287	2.6
81.07062	54.3
83.04991	21.6
83.08148	3.3
83.08626	61.6
83.36337	1.8
85.06538	8.7
87.04453	3.7
89.06050	8.7
91.05484	59.7
93.06471	3.7
93.07049	71.9
95.04972	29.6
95.08047	3.4
95.08612	42.2
97.06539	23.4
97.10163	1.6
97.63625	1.7
98.21384	2.6
99.04442	5.8
99.08061	2.9
103.05457	4.9
105.04522	3.5
105.07037	100.0
107.04954	8.5
107.08604	76.6
108.05665	2.0
109.06530	18.4
109.10159	24.8
110.44650	1.8
111.04430	2.6
111.08089	7.6
113.05997	2.1
113.09677	11.4
115.05473	8.2
116.06215	2.6
117.07037	29.3
119.04959	4.0
119.08587	92.0
120.09383	3.5
121.06494	9.5
121.10154	56.5
123.08081	21.0
123.11752	9.0
125.09627	23.0
127.07514	1.8
128.06242	16.6
128.90385	2.0
129.07018	23.2
130.07813	10.7
131.08574	56.1
132.09427	4.0
133.06512	5.6
133.08611	3.6
133.10139	54.1
134.10825	2.4
135.08058	16.4
135.11736	11.0
137.09634	8.9
139.11188	17.4
141.06978	12.2
142.07799	30.1
143.08569	59.6
144.09372	15.0
145.06487	5.7
145.10135	74.6
146.10872	3.8
147.08031	11.0
147.11687	26.1
149.09631	17.7
150.10402	1.9
151.07503	5.8
151.11220	3.6
153.07047	2.8
153.09135	2.1
154.07809	6.0
155.08594	23.9
155.10654	13.9
156.09355	24.9
157.10141	70.4
158.07240	3.0
158.10831	8.0
159.08092	17.4
159.11699	41.1
160.08876	13.3
161.09624	15.8
161.13263	7.8
163.07639	1.8
163.11185	7.8
165.07013	7.6
165.09102	5.5
166.07851	4.4
167.08635	14.6
167.10699	21.5
168.09256	6.3
168.11484	1.9
169.10135	34.9
169.12299	3.2
170.10916	10.3
171.08015	3.3
171.10268	3.3
171.11682	39.6
172.08781	3.1
172.12430	6.3
173.09615	12.5
173.13269	20.4
175.11179	12.6
175.14804	3.2
179.08542	14.0
179.14314	5.7
180.09377	8.0
181.10129	20.3
181.12242	27.0
182.10976	13.8
182.12474	3.2
183.11690	30.2
184.12401	5.4
185.09563	4.2
185.13268	24.2
186.13969	3.5
187.11211	7.2
187.14818	9.7
189.12738	8.4
190.13423	3.7
191.14326	11.1
192.09360	6.7
193.10149	19.1
194.10938	8.7
195.11699	28.8
195.13484	3.5
196.12421	9.6
197.09679	2.4
197.13261	41.3
198.13904	4.7
199.11180	5.7
199.14815	12.9
200.11835	2.0
201.12773	4.5
201.16376	5.1
203.14359	10.6
205.10100	3.1
206.10931	7.2
207.11688	16.3
207.13789	8.6
208.12462	6.5
208.14304	3.7
209.09682	1.7
209.13287	25.3
209.15279	3.1
210.13979	7.2
211.11159	5.5
211.14854	23.3
212.15654	4.0
213.12718	6.1
213.16414	5.4
215.14334	21.4
217.15804	2.7
218.10875	4.0
218.16606	4.9
219.11670	7.9
220.12517	7.3
221.13234	16.7
221.15384	24.6
222.13872	4.6
222.15775	3.5
223.11186	3.1
223.14827	14.9
224.15543	2.6
225.12805	3.4
225.14799	15.6
225.16545	4.9
227.14284	8.2
229.15891	3.6
230.16576	1.7
231.11792	4.1
231.13814	2.3
231.17476	3.5
232.12402	2.6
233.13232	7.4
233.15373	39.5
234.13924	7.1
234.16037	3.3
235.14798	11.8
237.16620	11.2
239.14272	4.6
239.18015	5.3
241.15903	3.8
245.13268	5.0
246.13910	3.5
246.16153	2.9
247.14769	5.7
247.16907	5.8
248.15508	2.7
249.16399	9.1
251.18048	5.4
253.15894	5.9
253.19429	3.6
255.17476	33.3
257.18973	3.6
259.14706	5.0
261.16330	10.3
262.17178	2.3
263.17950	5.4
265.19571	7.1
267.17447	5.5
268.18152	3.5
269.19006	6.3
270.19757	10.0
271.20374	3.0
272.17630	2.3
273.16122	4.1
273.18701	4.3
274.16641	2.1
275.17929	5.6
277.19510	6.2
279.17319	2.7
281.18994	6.5
282.19687	5.5
283.20581	6.0
285.18530	5.1
286.19302	5.4
287.19992	5.5
289.19382	6.6
291.20877	3.2
293.19101	2.7
294.19681	2.5
295.20627	3.7
299.20078	7.3
303.21057	2.5
307.20627	5.2
309.22128	3.2
313.21768	2.0
315.20834	2.1
331.24042	3.7
332.77417	2.3
334.22684	4.3
337.25317	6.6
345.21939	2.2
347.23727	5.6
349.25183	4.7
360.24191	2.6
361.25507	2.3
365.24823	7.7
367.26367	5.5
375.26758	2.2
383.26001	13.3
399.26593	4.5
401.28629	2.2
414.29272	3.1
423.48941	2.1
429.31680	2.3
439.29562	2.0
457.30887	4.7
490.34647	2.3
582.40796	3.4
600.41229	4.3
618.42700	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.6
54.48759	2.4
55.01875	6.1
55.05513	42.9
57.07081	13.0
59.05002	4.7
65.03939	5.9
67.05510	36.9
68.05833	3.2
69.03432	15.5
69.07075	19.4
69.24123	22.1
69.24539	5.4
71.00443	2.3
71.04985	7.3
71.08620	2.9
79.05499	35.4
81.07062	61.5
83.04997	17.2
83.08626	60.0
85.06534	8.3
87.04459	5.8
91.05482	61.5
92.05801	4.0
93.06474	4.0
93.07047	71.5
94.07380	3.5
95.04977	37.9
95.08615	44.9
97.06544	22.1
99.04452	3.7
99.08056	3.6
103.05461	5.7
105.07041	100.0
105.07755	4.9
106.07314	3.9
107.04949	4.9
107.08601	77.4
109.06512	20.4
109.09464	3.4
109.10167	33.6
111.08072	7.5
113.06075	3.0
113.09652	8.3
115.05442	5.5
116.06274	2.9
117.07023	25.9
119.08588	95.2
120.08929	2.7
121.06511	11.6
121.10156	65.6
122.10483	2.9
123.08089	25.3
123.11710	10.1
125.09626	18.3
128.06194	13.1
129.07007	21.3
130.07791	10.5
131.08586	45.2
132.09326	4.2
133.06512	4.7
133.10138	50.2
134.10532	2.8
135.08061	15.7
135.11687	14.2
136.06174	10.6
137.09619	11.0
139.11200	14.7
141.07005	10.7
142.07796	26.1
143.08575	50.5
144.09361	15.8
145.06543	6.3
145.10133	75.6
146.10590	4.6
147.08084	15.6
147.11684	23.4
148.08545	2.9
149.09602	16.8
149.13283	3.2
151.07573	9.0
153.07037	4.8
153.08990	2.9
154.07777	5.6
155.08580	28.5
155.10622	18.2
156.09390	24.9
157.10139	71.3
158.10893	11.8
159.08078	17.3
159.11694	33.6
160.08850	11.9
160.12247	3.0
161.09634	16.7
161.13248	6.4
162.10280	2.8
163.11172	11.3
165.07010	6.6
165.09100	9.6
165.12654	3.3
166.07828	3.9
167.08614	13.7
167.10670	25.8
168.09332	4.6
168.11040	4.7
168.28889	2.5
169.10141	32.8
170.10881	11.8
171.08194	3.1
171.10208	3.8
171.11661	36.2
172.12315	6.1
173.09692	13.8
173.13260	19.0
175.11188	16.2
175.14792	6.2
179.08560	16.5
179.14316	7.8
180.09259	7.9
181.10204	20.1
181.12172	22.2
182.10837	11.9
183.11711	27.3
184.12392	3.8
185.09631	7.4
185.13287	23.7
186.13945	2.7
187.11214	8.6
187.14819	9.4
188.11789	3.0
189.12772	8.7
191.14297	9.2
192.09358	4.7
193.10193	14.5
194.10869	10.4
195.11726	27.4
196.12520	12.4
197.13280	33.9
198.13890	5.7
199.11276	7.6
199.14833	16.7
201.12730	6.6
201.16356	4.6
203.14323	9.9
206.10870	6.2
207.11687	21.5
207.13760	6.3
208.12433	10.3
208.14388	4.5
209.09706	2.4
209.13304	26.3
209.15205	4.1
210.13942	9.1
211.11171	4.3
211.14832	19.7
212.15474	3.9
213.12756	9.3
213.16388	4.9
215.14357	19.3
217.15941	3.9
218.10818	2.5
219.11725	5.4
220.12421	7.5
221.13229	18.1
221.15390	33.1
222.13887	7.4
222.15744	7.9
223.14772	15.5
224.15515	3.9
225.12833	5.4
225.14545	13.9
225.16667	6.2
227.14357	4.9
229.15828	4.3
231.11713	4.4
232.12323	2.8
233.13211	8.8
233.15392	39.3
234.14001	6.2
234.16130	4.8
235.14824	11.4
237.16420	11.6
239.14317	3.7
239.17928	5.2
241.15887	6.1
245.13271	5.4
247.14818	7.1
247.16971	8.0
248.15520	3.6
249.16388	8.8
251.17822	3.9
253.15863	6.0
255.17435	26.9
259.14957	4.6
261.16351	7.3
263.18045	6.9
264.18896	2.5
265.19452	7.7
267.17450	3.7
268.18222	3.3
269.19052	5.9
270.19788	8.1
271.20480	5.1
273.16098	3.7
273.18774	5.1
275.17761	5.9
277.19412	3.8
281.19073	4.8
282.19836	5.5
283.20587	6.6
285.18567	5.5
287.20120	5.7
289.19449	7.5
294.19775	3.8
295.20618	4.5
299.20178	5.7
311.20203	3.8
318.19687	2.6
323.11343	2.5
334.22879	3.6
335.23547	3.0
337.25122	7.7
347.23508	4.2
347.46320	2.6
365.24963	5.5
367.26758	5.6
383.25723	9.4
414.29245	3.6
457.30908	6.3
582.40674	5.5
600.41382	11.2
618.42365	33.5
619.24731	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.4
55.01870	7.4
55.05513	49.9
57.07079	13.7
59.04998	7.7
65.03947	6.9
67.05509	38.4
69.03429	18.4
69.07063	19.3
69.88813	15.9
71.04986	7.5
79.05495	45.2
81.07062	53.4
83.04989	21.8
83.08623	58.3
85.06557	10.8
87.04460	6.4
91.05477	56.9
92.06303	3.0
93.07050	83.4
94.07361	3.3
95.04979	33.8
95.08614	50.7
96.08942	3.2
97.06526	23.4
99.04482	4.5
103.05482	4.0
105.07034	100.0
106.07337	4.8
107.04937	4.6
107.08601	74.0
109.06519	21.6
109.10154	29.7
111.08087	8.2
113.09633	6.0
115.05476	8.6
117.07027	24.0
118.60950	3.1
119.08584	97.0
121.06506	16.8
121.10152	58.1
123.08086	33.3
123.11728	6.2
125.05976	7.6
125.09654	15.7
128.06216	16.5
129.07040	23.7
130.07794	11.2
131.08583	59.2
132.09369	6.8
133.06500	7.3
133.10144	54.7
134.10590	4.8
135.08080	22.5
135.11720	12.9
137.09654	15.8
139.11180	13.3
141.07031	12.6
141.09137	4.0
142.07806	30.1
143.08566	49.1
144.09370	19.2
145.06477	8.4
145.10130	90.3
146.10861	4.4
147.08041	29.0
147.11737	17.3
149.09613	21.2
151.07567	22.8
153.07127	5.8
155.08577	20.6
155.10655	9.9
156.09331	23.1
157.10135	69.7
158.10846	12.3
159.08099	15.6
159.11703	39.7
160.08813	18.8
160.12207	3.8
161.09647	17.1
161.13245	9.2
163.11195	25.4
165.07054	5.4
165.09167	31.9
165.12814	3.2
167.08585	11.1
167.10704	22.3
168.09377	6.7
168.11055	6.2
169.10117	34.7
170.10909	10.4
171.10260	6.1
171.11676	39.0
172.12399	10.9
173.09622	13.2
173.13266	21.7
175.11256	14.7
175.14873	7.3
179.08572	10.1
179.14195	4.7
181.10236	19.2
181.12230	23.0
182.10907	14.3
183.11728	22.5
183.13907	3.2
184.12361	5.0
185.09599	5.8
185.13289	19.3
186.13876	4.7
187.11195	9.8
187.14854	11.8
188.11931	3.6
189.09047	3.1
189.12759	14.2
190.13493	9.2
191.14330	8.7
193.10139	11.6
193.12270	9.5
194.10983	8.5
195.11697	22.6
196.12450	9.1
197.13287	28.2
198.13947	6.9
199.11200	8.4
199.14864	11.2
201.12747	8.8
201.16533	4.1
203.14337	17.2
206.10933	5.1
207.11667	10.2
207.13852	14.6
208.12631	6.0
208.14563	17.5
209.09673	3.1
209.13332	32.6
209.15251	3.9
210.13937	7.6
211.11182	5.4
211.14838	16.4
213.12750	9.6
213.16301	4.7
215.14326	11.3
216.14935	4.9
217.12265	3.2
217.15993	4.1
219.11807	7.0
219.13841	9.1
220.12474	6.8
221.13307	8.4
221.15363	83.1
222.15808	6.4
223.14824	11.3
224.15652	4.9
225.12877	7.2
225.14665	20.5
227.14319	4.5
227.17995	3.7
231.11768	4.6
231.13860	4.1
232.12518	3.1
233.13249	6.6
233.15285	27.3
234.14053	4.7
234.16110	22.3
235.14833	12.3
236.15565	4.5
237.12781	7.3
237.16405	12.8
239.17825	3.2
245.13316	4.1
245.15605	4.2
247.14758	4.5
247.16943	17.6
249.16446	8.3
251.18022	4.9
253.15981	4.7
255.17494	12.8
259.16922	4.5
261.16382	3.9
261.18884	3.8
269.19077	6.0
270.19699	4.8
271.16983	4.0
273.18692	7.6
277.19415	4.5
280.17746	3.0
281.18951	4.4
285.18628	4.6
286.19263	8.6
287.20102	55.5
288.20428	2.9
297.18790	4.3
299.20215	15.4
312.20959	5.0
325.21658	9.6
337.21667	8.3
339.23010	3.4
352.23978	70.2
353.24811	4.0
365.24783	19.5
367.26376	7.3
395.25751	7.5
429.32425	3.2
447.40286	3.5
472.31927	5.3
495.24313	3.2
495.85800	3.9
525.35571	9.6
538.28394	6.7
538.36560	94.2
549.63184	4.3
582.40436	4.2
600.41357	11.8
618.42395	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70454	1.4
51.02381	1.3
51.45726	1.6
53.03934	3.1
55.01884	2.7
55.05509	29.2
57.07075	11.6
59.04995	4.7
65.03954	2.6
67.05502	16.4
69.03429	8.8
69.07074	6.0
69.77749	3.0
69.78157	6.9
71.04991	3.5
75.34192	1.7
79.05499	18.6
81.07064	35.7
83.04982	8.5
83.08620	31.8
85.06557	7.8
87.04472	24.1
91.05484	29.2
92.06307	2.0
93.07056	36.4
95.04975	19.6
95.08615	19.7
97.06528	13.5
99.04453	3.8
103.05492	3.6
105.07034	53.4
107.04977	4.8
107.08601	36.9
109.06521	11.3
109.10157	10.9
111.08087	4.4
113.06047	1.8
113.09638	4.0
115.05457	3.0
117.07034	14.6
119.04964	1.6
119.08585	49.1
120.09371	3.4
121.06510	7.0
121.10147	23.4
123.08057	20.7
123.11697	2.4
125.05990	3.7
125.09643	5.9
128.06261	6.2
129.07007	14.2
130.07820	5.5
131.08585	29.7
132.09302	3.3
133.06502	3.7
133.10144	26.1
135.08070	12.2
135.11699	6.1
137.06041	2.1
137.09641	9.8
139.07602	1.8
139.11185	7.6
141.06998	5.0
142.07768	16.4
143.08571	23.1
144.09338	10.0
145.06468	3.8
145.10138	45.3
146.10918	2.7
147.08032	16.2
147.11691	8.0
149.09627	11.4
151.07529	13.8
151.11250	2.1
153.07033	2.0
153.09090	2.1
155.08549	13.6
155.10629	2.7
156.09354	11.4
157.10141	43.1
158.10931	7.3
159.08086	7.8
159.11711	23.9
160.08900	8.0
161.09641	10.6
161.13237	4.5
163.11212	9.9
165.07022	3.6
165.09122	27.3
166.07994	2.1
167.08594	5.7
168.09328	3.5
169.10139	14.8
170.10890	7.0
171.08060	1.8
171.11670	20.1
172.12488	7.3
173.09630	6.4
173.13304	9.5
175.11229	15.9
177.12706	2.3
178.09932	2.2
179.08585	4.3
179.10806	1.8
179.14395	3.3
180.09439	3.8
181.10158	7.1
181.12279	16.7
182.10910	4.3
183.11713	13.3
183.13777	2.7
184.12433	4.4
185.09645	3.2
185.13283	9.1
186.13977	2.1
187.11214	7.3
187.14859	5.6
189.12721	7.5
190.13445	7.3
191.10591	2.3
191.14314	4.5
192.09352	2.8
193.10176	7.8
193.12251	6.0
194.10931	4.4
195.11719	12.2
195.13672	3.0
196.12454	3.2
197.09587	3.2
197.13254	15.0
198.10609	2.1
198.13867	2.2
199.11241	6.2
199.14842	3.2
200.11879	1.6
200.15652	1.9
201.12740	7.3
203.14336	14.2
207.11646	5.1
207.13820	9.5
208.12616	3.2
208.14598	10.9
209.13338	13.7
209.15219	3.4
210.14122	1.7
211.11203	3.8
211.14847	7.4
213.12772	5.6
213.16440	1.8
215.14354	3.3
219.11884	2.3
219.13889	3.1
220.12474	2.8
221.13287	5.3
221.15352	65.5
222.15909	2.7
223.11215	3.6
223.14838	4.2
224.15622	2.7
225.12801	2.9
225.14645	12.5
225.16734	2.7
227.14418	3.1
227.18019	2.4
229.15907	2.4
231.13818	3.4
233.13332	2.5
233.15421	11.4
234.14041	2.9
234.16142	12.8
235.14943	3.9
237.12819	5.0
237.16457	3.8
239.17967	2.5
247.14780	3.3
247.16975	10.7
248.17899	1.9
249.12816	2.1
249.16481	1.7
251.14252	2.1
251.18015	2.7
253.15807	3.8
259.17044	2.8
263.17963	2.0
267.17456	2.1
269.19000	4.1
271.17014	3.7
273.18466	2.1
274.19330	3.7
281.18964	2.5
284.88071	1.7
285.18631	2.4
286.19489	7.3
287.20062	50.7
297.18576	4.5
299.20038	13.1
300.20920	4.2
303.19641	2.7
309.22159	2.1
310.19373	2.3
311.20175	5.6
312.20746	4.3
313.21289	2.3
319.20593	2.4
325.21661	10.4
329.21008	4.8
337.21646	8.6
339.23126	6.3
341.29480	1.5
352.23990	75.6
353.24585	3.8
355.95148	1.5
365.24628	12.5
367.26279	4.5
391.26447	3.5
395.25714	7.1
438.31323	3.3
472.31738	5.2
498.33704	2.4
520.35516	2.2
524.35046	1.9
525.35718	12.0
527.08484	2.0
538.36542	100.0
539.37061	3.1
596.07367	1.7
600.40845	4.1
603.40265	2.7
618.42523	20.9
623.22406	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
53.54413	4.0
55.05305	4.6
55.05518	56.7
57.07072	15.9
64.09637	4.6
65.03966	5.6
67.05513	36.7
68.95039	4.6
69.03436	10.6
69.07069	20.3
71.04985	8.4
77.03979	4.7
79.05495	34.0
81.07068	71.3
83.04983	19.1
83.08632	72.4
85.06539	12.6
87.04488	55.0
89.06062	6.7
91.05497	71.0
93.07065	70.2
95.04972	21.7
95.08630	43.5
97.06545	28.2
99.04464	6.7
103.05506	5.5
105.07040	100.0
107.04937	5.8
107.08605	71.6
108.08889	5.0
109.06522	20.5
109.10186	36.8
113.09648	13.7
115.05502	5.2
117.07037	25.6
119.08598	90.3
120.09389	5.9
121.06503	14.1
121.10171	51.8
123.08083	43.2
123.11695	6.2
125.09636	22.5
128.06232	13.3
129.07051	25.6
130.07814	7.3
131.08591	52.4
132.09317	7.2
133.06468	4.7
133.10155	56.8
135.08076	9.7
135.11728	16.5
137.09639	12.7
139.11186	13.9
141.06984	9.8
142.07809	25.6
143.08577	52.9
144.09369	16.2
145.06458	7.8
145.10150	82.5
147.07986	7.1
147.11711	30.2
149.09644	13.1
149.13315	5.8
151.07516	6.0
153.09158	6.6
155.08575	12.0
155.10698	19.5
156.09369	21.6
157.10161	68.2
158.10863	12.5
159.08032	13.2
159.11749	56.4
160.08871	25.6
161.09641	8.1
161.13248	8.6
163.11215	11.7
165.07033	9.6
165.09094	12.1
167.08618	13.3
167.10735	6.2
168.09364	10.1
169.10109	39.4
170.10812	10.0
171.11708	56.3
172.12469	5.1
173.09633	10.2
173.13271	24.3
175.11227	15.9
179.08781	10.0
179.10649	14.3
179.14319	5.5
180.09360	5.5
181.10107	13.3
181.12262	21.9
182.10880	11.1
183.11720	28.4
184.12517	9.9
185.13226	26.1
187.11185	8.1
187.14839	8.7
189.12766	11.9
189.90428	4.6
191.14323	6.8
193.10184	16.6
193.12010	5.5
194.10979	7.9
195.11717	31.6
195.13399	5.7
196.12460	13.0
197.11702	12.1
197.13287	36.0
198.13814	5.2
199.14832	17.7
201.12816	5.1
203.14310	11.0
206.10876	6.7
207.11688	14.9
207.13783	11.7
208.14622	4.9
209.13251	19.2
210.13960	7.5
211.14815	16.1
213.12863	6.6
221.13329	10.9
221.15410	34.8
222.15967	6.6
223.14857	22.5
225.14713	36.5
231.11653	4.9
233.15390	18.6
234.13956	6.1
234.16171	12.1
237.16553	5.6
239.17976	6.9
241.15848	5.1
247.14792	7.3
249.16325	6.9
259.14880	5.2
263.18033	7.8
265.19583	7.3
286.19299	8.6
287.20129	14.9
299.20215	9.3
312.21088	7.1
325.21552	7.1
352.23813	12.6
365.25089	7.1
538.36438	20.4
538.49738	4.7
600.41290	9.1
618.42828	32.5
618.51215	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.05515	26.6
57.07084	16.5
59.04987	3.9
65.03931	2.2
67.05502	14.5
69.03422	7.5
69.07053	8.5
71.04990	3.3
71.08617	2.8
79.05507	21.8
81.03417	3.3
81.07060	32.3
83.04971	8.0
83.08627	33.1
85.06541	5.2
87.04472	50.9
91.05489	26.2
92.05785	2.6
93.07047	38.2
95.04959	19.8
95.08615	24.3
97.06541	11.6
97.10119	2.9
105.07038	51.1
107.04961	3.6
107.08588	27.8
109.06518	13.1
109.10159	14.7
111.08128	4.1
111.30133	1.9
113.09642	2.5
117.07045	14.0
118.07946	2.3
119.08591	52.1
120.09374	2.7
121.06525	10.3
121.10174	22.2
123.08074	19.6
123.11645	3.6
124.77900	2.1
125.05985	5.2
125.09637	11.8
128.06230	6.7
129.07008	10.6
130.07756	6.0
131.08578	29.6
132.09335	1.8
133.06470	4.2
133.10133	22.8
135.08061	16.0
135.11696	9.8
137.05960	2.8
137.09610	10.0
139.07538	3.0
139.11200	4.2
141.06967	3.3
142.07831	14.1
143.08585	27.0
144.09311	7.9
145.06497	2.5
145.10127	48.6
146.10605	4.0
147.08066	17.9
147.11671	8.6
149.09647	11.2
149.10657	2.1
151.07564	11.3
151.11124	2.3
155.08560	11.4
155.10625	3.6
156.09383	9.9
157.10138	37.3
158.10890	7.8
159.08072	6.9
159.11693	22.2
160.08810	9.1
161.09639	11.4
161.13255	7.8
163.11174	12.3
165.06984	2.8
165.09122	27.7
167.08556	4.1
167.10692	2.9
169.10176	15.2
170.10875	6.1
171.11697	22.5
172.12410	6.4
173.09663	5.7
173.11775	2.9
173.13232	8.4
175.11226	16.2
176.11842	2.2
177.12843	3.2
179.08603	6.4
179.10718	3.2
181.10149	9.6
181.12193	16.5
182.10950	5.3
183.11694	14.4
184.12440	3.4
185.09737	3.5
185.13202	11.9
186.10365	2.7
187.11166	6.0
187.14816	4.3
189.12785	8.1
190.13567	5.7
191.10669	3.6
191.14365	5.3
193.10158	4.7
193.12216	6.4
194.10892	3.8
195.11758	13.9
195.13576	2.9
196.12469	3.4
197.13269	9.7
199.11140	4.1
199.14838	6.6
201.12717	3.7
203.14365	14.4
207.11700	6.4
207.13820	11.8
208.14566	11.9
209.09631	3.2
209.13260	9.8
209.15108	3.7
210.13947	3.0
211.14838	6.8
213.12733	3.8
215.14273	2.2
219.11908	2.9
221.13326	5.2
221.15366	63.8
222.15810	4.2
223.14822	5.5
225.12917	3.1
225.14761	10.2
231.13773	3.5
233.13280	3.0
233.15355	13.9
234.14091	3.0
234.16148	15.6
237.12727	3.7
237.16370	3.6
239.14410	2.7
239.17889	2.2
246.16180	2.7
247.14682	3.2
247.16928	10.8
249.16302	2.7
251.14285	3.1
251.17902	3.9
253.15793	2.5
269.18896	3.6
271.16901	3.8
274.19238	2.3
277.15958	2.3
279.17380	2.6
281.18948	4.5
285.18552	3.4
286.19278	4.2
287.20078	44.8
297.18484	4.0
299.19998	8.6
300.20715	2.5
303.19510	3.1
313.21579	2.8
319.20526	3.1
325.21716	15.5
329.21176	4.0
337.21613	8.2
339.23251	3.3
352.23956	78.2
353.24539	3.7
365.24811	15.4
367.26370	4.8
367.58337	2.1
387.25305	3.2
395.25861	9.5
414.27866	3.0
438.31360	3.0
446.30505	3.2
472.31683	7.5
520.35211	2.3
524.34552	3.7
525.35504	8.8
538.36554	100.0
600.41064	3.9
618.42456	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	26.1
57.03429	12.0
57.06828	4.2
57.07080	55.6
58.52229	3.0
67.05506	50.1
69.07077	23.5
71.00951	5.2
71.08284	3.5
71.08639	42.6
79.05494	42.1
81.07065	62.3
83.08622	20.1
84.89508	2.8
85.06545	5.7
85.10194	21.8
87.04476	7.2
91.05485	63.9
93.07057	47.8
94.95058	2.9
95.04981	6.8
95.08614	54.6
97.10185	13.5
99.08067	3.8
105.07038	67.9
107.08601	32.6
109.10165	20.2
111.08037	4.1
111.11710	3.7
117.07030	14.2
119.08588	56.9
121.06408	2.9
121.10165	23.7
123.11717	8.5
125.09657	4.7
128.06223	4.7
129.06999	7.3
131.08568	29.1
133.10139	47.6
135.11702	23.0
142.07764	3.6
143.08575	10.7
145.10139	20.9
147.08144	3.9
147.11690	48.6
149.13254	15.4
151.11177	2.7
157.10109	9.8
159.11681	20.7
161.13251	50.9
163.14758	3.6
171.11681	16.2
173.13306	13.1
175.14867	22.0
185.13274	12.2
187.14819	3.3
199.14824	6.7
201.16408	2.8
203.14230	4.3
213.16449	4.1
231.21185	14.4
241.19522	47.9
243.21281	3.0
257.18933	2.9
259.20584	97.6
277.21759	3.0
285.27911	3.3
299.90320	2.7
315.23236	5.4
326.31113	2.9
333.24240	48.5
341.30521	100.0
505.38470	9.8
534.51367	2.9
599.50073	8.5
617.50946	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	617.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77826	3.9
50.96278	4.1
53.03936	5.1
54.88750	4.2
55.05505	14.7
57.03440	11.9
57.33355	3.9
61.02932	6.1
64.38725	3.9
66.05752	3.9
67.05502	20.3
67.47539	3.8
68.16118	4.5
69.03432	27.0
69.07078	11.3
69.48936	9.2
69.49335	29.7
70.91865	5.1
71.04995	32.9
72.08150	6.8
73.02910	19.0
75.04489	7.9
77.36609	4.6
79.05487	14.3
81.03404	14.3
81.07063	20.7
83.04989	20.6
85.02917	100.0
87.04452	4.6
91.05487	22.1
93.07047	13.4
95.01327	8.9
95.04943	6.3
95.08588	9.1
97.02890	43.2
97.06503	6.7
98.20756	8.5
99.04412	5.1
105.07023	18.3
107.04925	5.1
107.08601	7.6
109.10163	8.4
111.04444	14.2
115.03938	15.6
117.07017	8.2
119.08588	15.7
121.10123	13.5
121.10964	4.6
127.03930	7.6
129.05496	26.6
129.06970	4.2
131.08603	4.6
133.10127	10.0
135.08051	7.2
135.11714	7.1
141.01840	26.7
145.10127	10.7
147.06572	14.3
147.11684	7.1
153.05504	12.7
159.02878	5.7
163.03952	9.6
163.06032	7.1
167.06998	5.1
171.11743	9.7
173.13263	6.1
201.16476	5.8
221.15440	4.8
225.07455	8.9
268.53381	3.9
272.40857	4.4
283.99527	5.1
313.85367	5.3
318.06131	4.7
365.08145	4.2
369.13232	4.6
447.15222	4.9
617.41486	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	617.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.2
55.01855	0.2
55.05468	0.4
57.03413	0.3
57.07064	0.2
57.56396	0.2
67.05518	0.9
69.03375	0.7
69.07021	0.6
69.83773	0.8
70.06577	0.3
72.08108	0.2
76.68289	0.2
78.04682	0.2
79.05497	0.9
81.03429	0.9
81.07062	0.9
83.08582	0.2
85.02896	0.9
85.06496	0.2
87.00774	0.3
89.03875	0.3
91.05432	0.7
93.07067	1.2
95.04936	0.4
95.08608	1.1
97.02900	0.8
97.06494	0.2
101.02327	0.4
105.07037	0.9
107.04985	0.4
107.08593	1.1
108.48414	0.2
108.76854	0.2
109.02832	0.5
109.06548	0.2
109.10175	0.8
111.08051	0.2
117.03357	0.4
119.03372	0.4
119.04930	0.3
119.08551	0.9
120.08019	0.2
121.10081	0.7
123.08002	0.3
125.09506	0.1
127.03874	0.6
129.06927	0.2
131.08559	0.4
133.10170	0.8
134.03635	0.9
135.04468	0.8
135.11664	0.2
137.02318	0.2
139.11110	0.2
141.01813	0.2
143.08536	0.3
145.02808	0.7
145.04854	0.2
145.06419	0.2
145.10155	0.4
147.04407	0.9
147.08017	0.2
147.11656	0.5
149.09590	0.2
149.13255	0.5
151.03885	0.2
151.07451	0.2
153.04442	0.2
153.05495	1.8
159.11647	0.6
161.09567	0.2
161.13303	0.2
163.03908	4.0
165.01794	0.5
165.09109	0.3
171.08026	0.3
171.11740	0.2
173.13255	0.3
175.14696	0.2
183.02844	0.2
189.09029	0.3
191.10448	0.2
197.06088	0.2
199.14879	0.2
203.10570	0.3
206.19272	0.2
213.05403	0.3
213.16348	0.2
214.06172	0.3
229.14212	0.2
241.04962	1.5
242.05699	0.6
251.11847	0.2
270.05301	2.3
295.06088	0.2
297.04025	0.4
297.11826	0.2
298.04736	31.5
299.05093	0.3
311.13879	0.2
313.07065	100.0
314.07431	1.3
339.13461	0.3
351.12363	0.6
355.15384	0.3
369.13382	32.9
370.13715	0.5
371.15994	0.4
464.21933	0.3
523.86847	0.2
617.18561	1.5
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
55.05508	2.9
55.32943	0.9
57.07081	46.0
59.04744	1.3
59.05007	17.6
67.05505	3.2
69.03419	1.1
69.07066	3.6
69.21532	4.2
69.21951	5.1
70.06586	2.6
71.08637	90.4
73.06573	5.4
79.05503	2.8
81.07059	5.0
83.08607	1.7
85.10188	46.1
87.04474	11.9
89.06039	100.0
90.06394	1.1
91.05476	2.0
93.07046	4.5
95.04988	2.0
95.08613	2.3
97.06512	1.1
103.07587	6.5
105.07009	4.6
107.07072	3.6
107.08598	2.9
109.10181	1.7
116.07100	3.3
117.07016	0.9
117.09124	3.0
118.52899	0.8
119.08569	2.8
121.06506	1.4
121.10156	3.8
123.08096	2.0
127.14844	6.8
129.07025	2.2
130.08665	1.6
131.07076	4.7
131.08513	1.0
133.08614	75.6
133.10204	2.4
135.08035	1.7
136.88400	1.0
137.09642	1.3
142.07867	1.1
143.08484	1.5
145.10126	2.1
147.08057	1.4
147.11661	0.9
149.09612	1.3
151.07596	1.6
152.07890	1.2
155.08623	0.9
156.41960	0.9
157.10127	2.0
159.11678	1.5
161.09642	1.4
165.09143	2.2
167.10645	1.8
169.10095	1.4
171.11745	1.3
173.13167	1.3
175.09668	3.7
175.11147	1.1
177.11241	29.6
185.18999	7.1
189.12804	1.2
203.14256	1.2
207.13808	1.3
209.13364	1.0
219.12259	1.1
221.13651	5.5
221.15619	2.0
229.21693	4.3
239.14793	1.1
247.16435	1.2
283.17517	3.8
292.50571	1.1
309.18958	1.2
327.20197	2.1
371.22659	3.7
381.37790	1.0
415.25439	11.3
455.28577	1.7
498.14780	1.8
557.16278	2.2
599.43042	2.0
616.17426	3.6
616.39307	2.5
616.47479	1.8
617.42853	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.6
55.05300	1.6
55.05517	16.1
57.03433	4.1
57.07081	7.1
62.28687	1.4
65.03930	1.6
67.05509	51.8
69.07075	25.6
71.04987	2.2
71.08621	2.1
71.55717	1.6
79.05499	27.9
81.07066	54.2
83.08625	14.0
83.46265	1.6
83.84645	1.5
85.06550	2.0
89.06049	2.3
91.05486	19.9
93.07047	31.5
95.04985	3.1
95.08614	48.0
97.06544	1.9
97.10173	6.5
105.07040	24.8
107.08596	24.4
109.10164	17.4
111.11802	1.9
117.07050	4.9
117.41091	1.3
119.08578	20.4
121.10157	19.5
123.11703	9.9
129.06995	2.0
131.08594	12.2
131.16704	1.6
133.10143	15.8
135.11731	9.0
137.13278	5.1
143.08586	4.3
145.10144	13.7
147.11713	9.5
149.13298	7.8
151.14958	2.2
153.12764	1.5
157.10144	4.0
159.11717	6.9
161.13274	6.4
163.14864	4.1
165.16420	1.6
171.11690	4.2
173.13274	6.0
175.14865	5.9
177.16521	1.9
179.36600	1.4
185.13263	2.4
187.14807	3.5
189.16374	3.0
201.16458	3.4
203.17918	2.3
208.69525	1.7
213.16467	3.0
231.21230	1.5
241.19693	2.5
242.25903	1.6
259.20630	4.8
261.22214	10.6
263.23752	1.6
287.23642	1.8
304.84399	1.8
315.26639	1.7
333.24210	3.2
335.25879	8.6
337.27386	13.6
339.29108	3.6
465.19400	1.5
523.45245	5.1
541.46283	3.2
555.71252	1.5
597.48834	12.6
615.49854	100.0
616.50360	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	615.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.05516	19.4
57.03426	6.0
57.07078	8.2
62.48822	1.1
63.99149	1.1
65.03946	2.9
65.99939	1.1
67.05508	54.6
69.07069	24.6
71.08634	2.7
77.03016	1.3
79.05058	2.3
79.05492	29.3
81.07062	56.6
82.07425	2.0
83.05022	2.2
83.08623	15.3
85.06535	2.8
89.06038	1.5
91.05486	21.1
93.07050	37.1
95.04961	2.8
95.08614	47.8
96.08951	1.4
97.06534	4.4
97.10174	10.1
98.21501	3.9
99.08110	1.2
103.23856	1.2
105.04492	1.4
105.07039	23.0
105.07690	2.2
107.08603	22.7
109.06511	1.8
109.10162	25.9
111.08064	1.4
111.11717	1.7
117.07024	7.6
119.08582	24.5
121.10139	20.5
123.08096	1.4
123.11723	9.2
125.09673	1.3
129.06998	2.2
131.08585	14.6
131.88239	1.3
133.10117	17.7
135.11700	14.2
137.13332	3.7
143.08600	4.3
145.10144	12.0
147.11693	12.8
149.13264	7.9
157.10175	4.3
159.11729	7.4
161.13283	8.5
163.11125	1.6
163.14836	4.8
165.16383	1.2
171.11726	3.7
173.13281	6.7
175.14816	4.6
177.12801	1.3
177.16406	2.3
183.11708	1.4
185.13312	3.3
187.14842	4.4
189.16425	2.6
191.17906	1.1
195.12206	1.1
199.14880	2.0
201.16487	2.4
205.19510	2.1
213.16447	1.9
215.18019	3.1
231.20952	1.3
241.19638	2.8
243.21082	2.9
245.22595	1.3
259.20654	5.3
261.22098	8.0
263.23807	1.4
273.22156	1.8
281.21213	1.3
282.28922	1.1
287.23828	1.2
293.21457	1.2
317.28284	1.4
319.68863	1.2
335.25726	8.8
337.27493	12.9
339.28845	2.7
357.31598	1.4
371.33249	1.5
421.77609	1.2
430.23022	1.4
489.35541	1.5
503.37488	1.3
510.47568	1.3
523.45282	4.2
541.46356	3.9
545.41327	1.3
593.01788	1.2
597.48798	12.1
615.49817	100.0
616.50275	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	615.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.6
57.03421	6.9
57.07080	93.3
58.04217	7.9
59.05006	59.0
66.02540	2.3
67.05500	13.2
69.03416	3.1
69.07066	5.4
71.08638	100.0
72.05782	5.3
73.02920	5.8
73.06557	8.9
75.65070	2.4
79.05500	9.3
81.07066	16.8
83.05000	4.5
83.08630	7.0
85.06544	5.9
85.10188	84.0
86.07324	3.3
87.04484	9.1
89.06037	14.3
90.01927	32.7
91.05505	11.5
93.07056	14.8
95.04956	11.4
95.08623	12.4
97.06560	3.1
97.10181	5.2
98.20710	5.5
99.11742	10.1
100.08888	3.6
101.09663	6.8
103.07584	8.1
105.07053	20.0
107.08562	12.9
109.06528	5.5
109.10168	8.3
111.08086	3.4
115.07589	6.1
116.23421	2.4
117.07024	8.4
117.09135	16.3
119.08593	16.0
121.06569	3.0
121.10154	11.1
123.08081	10.8
125.06019	5.0
128.06224	2.8
129.07042	4.6
131.08569	11.3
133.08617	8.4
133.10153	11.7
135.08081	9.4
135.11667	5.5
137.09637	3.2
141.16399	8.2
143.08586	8.7
145.06532	4.2
145.10123	14.8
147.08035	5.8
149.09651	4.0
151.07568	12.0
156.09360	2.7
157.10161	8.8
159.08014	3.3
159.11722	6.8
161.09676	4.4
161.11775	3.7
161.13234	2.9
163.11163	8.2
165.09140	11.9
169.10104	3.0
169.15942	2.5
171.11754	5.1
173.09698	3.0
173.13292	6.6
177.11235	3.5
178.07114	3.0
181.10075	4.9
181.12260	7.3
183.11667	3.0
185.09677	3.3
185.13315	3.3
195.11755	4.6
199.20609	17.3
203.14360	7.1
207.11855	2.3
207.13853	3.8
221.13286	4.0
221.15370	26.3
222.09712	5.8
247.16940	5.8
249.12732	2.8
257.24777	16.2
284.13495	4.3
311.92343	2.3
312.20807	3.6
313.21512	4.5
407.25671	5.6
464.39420	7.4
539.24121	12.8
540.24554	2.9
597.39185	2.9
615.40430	31.3
615.49506	4.6
616.40668	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15330	1.3
55.05508	6.3
57.03434	3.3
57.07079	100.0
58.04222	6.9
59.04715	2.3
59.05005	44.0
65.03933	1.9
67.05511	7.9
69.07062	7.0
69.28996	14.2
71.05015	1.7
71.08634	75.8
72.05776	9.5
73.02902	3.7
73.06563	8.0
79.05484	5.4
81.03433	2.1
81.07065	8.1
82.07835	2.1
83.08593	5.1
85.06507	3.6
85.10188	59.5
86.07301	4.0
87.04463	11.2
87.08097	3.1
89.06036	14.3
90.01402	2.2
90.01921	27.6
91.05473	5.3
93.07040	4.9
95.04960	2.8
95.08623	8.1
97.06535	1.7
97.10172	3.2
99.11740	10.0
100.08850	1.3
101.09654	2.3
103.07583	4.1
105.07054	8.2
107.08589	6.1
109.06499	2.8
109.10150	4.6
113.13260	4.3
115.07514	2.0
116.08337	3.2
117.07050	2.0
117.09138	10.9
119.08592	6.6
121.06475	1.9
121.10118	4.1
123.08041	2.5
125.05946	1.7
128.06276	1.8
129.06993	1.6
131.06903	1.9
131.08530	2.6
131.40683	1.4
133.08597	8.6
133.10161	4.6
135.08012	2.8
135.11670	2.8
137.09570	1.7
141.16354	2.4
143.08582	2.0
145.10112	4.1
147.08015	2.4
147.10098	2.5
147.11725	1.7
149.11729	1.5
151.07475	1.7
152.15549	2.1
155.08553	2.8
155.17996	7.1
156.09328	1.8
157.10135	3.1
159.07982	1.8
159.11710	2.7
161.11684	2.6
163.11250	2.3
165.09111	2.5
169.10139	2.6
171.11810	2.8
173.09550	1.5
173.13158	1.5
174.24123	1.3
177.11194	2.1
177.30821	1.4
178.07066	3.8
178.11548	1.8
181.12199	3.8
183.17488	3.9
189.44089	1.3
195.46515	1.4
197.13289	1.5
203.14377	1.4
212.21245	2.0
213.22166	13.6
221.15407	5.0
222.09633	6.8
223.15381	3.0
238.16566	2.0
241.21626	2.4
252.18118	2.3
271.26181	5.3
299.19989	1.7
328.16061	4.6
464.39539	8.4
524.41644	1.4
581.87866	1.5
615.40796	4.8
615.50165	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	614.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.3
57.07078	100.0
59.05003	22.5
67.05505	1.6
68.33766	0.8
69.07066	1.4
69.43590	3.3
69.44020	3.3
71.08635	73.0
73.06564	1.3
79.05504	1.2
81.07047	1.8
83.08610	1.7
85.09661	1.6
85.10185	58.1
87.04472	5.9
89.06033	65.9
91.05505	0.9
91.07628	0.8
93.07045	1.6
95.08610	1.0
96.94825	0.7
97.10178	2.3
98.21584	1.0
99.11740	13.2
101.09654	2.1
103.07603	1.1
105.07009	1.6
107.07069	2.1
111.11726	1.1
113.13272	6.2
117.09161	4.2
119.08591	1.2
121.10156	1.2
121.40057	0.7
123.08040	1.0
130.08630	1.3
131.07085	2.1
133.08607	48.1
134.09093	0.8
155.17964	9.6
157.10149	0.9
175.09636	1.7
177.11232	19.2
213.22148	16.7
221.13828	4.0
239.14925	1.7
271.26337	5.9
283.17557	1.8
327.16852	0.5
327.20148	15.5
367.23151	1.1
385.24121	3.0
415.25250	5.3
583.43060	0.9
614.48035	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	614.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.6
55.01879	7.4
55.05516	49.4
57.03442	22.0
57.07074	18.4
59.05000	6.5
65.03929	5.0
67.05173	7.0
67.05508	97.0
69.03423	14.7
69.07076	39.8
71.56628	9.2
79.05501	60.2
81.02982	5.8
81.03425	76.6
81.07062	100.0
83.04993	28.0
83.08622	44.8
84.21865	3.7
85.06528	12.6
85.10181	6.9
87.93055	4.1
89.06030	33.7
91.05478	64.9
93.07055	64.4
94.07348	5.4
95.04983	60.1
95.08620	78.4
96.08943	4.5
97.02898	5.5
97.06519	19.8
97.10170	12.0
99.08101	7.8
102.09517	3.8
105.07035	86.2
107.04956	13.3
107.08605	60.6
109.06539	21.4
109.10172	37.9
111.08101	11.1
115.05457	12.1
117.07052	20.7
119.04948	5.3
119.08595	78.1
121.06523	13.8
121.10159	40.4
122.07325	5.4
123.04451	4.1
123.08086	22.7
123.11714	15.4
125.05983	19.4
128.06203	19.6
129.07019	30.0
130.07825	6.9
131.08577	51.9
133.06493	11.7
133.08586	16.7
133.10136	46.6
134.10504	6.1
135.08038	26.2
135.11711	12.7
137.05957	10.2
137.09621	10.6
137.13232	5.1
141.06972	12.1
142.07771	15.1
143.08566	57.3
144.09351	8.8
145.06462	5.4
145.10141	61.7
147.08044	15.7
147.11691	20.2
149.09644	13.2
151.11102	5.0
153.07076	7.1
153.12700	4.1
154.07808	7.4
155.08531	22.1
155.95566	5.1
156.09322	16.8
157.10149	42.7
158.10861	13.6
159.08073	10.7
159.11681	22.4
160.08855	4.3
161.09628	20.6
161.13274	6.2
163.11157	20.8
165.07014	11.8
165.12764	4.8
167.08594	12.9
169.10187	23.8
170.10945	5.3
171.08089	6.1
171.11716	25.9
173.09619	14.9
173.13277	16.2
175.11188	16.3
177.11200	7.8
179.08533	12.0
180.09433	5.5
181.10133	19.2
181.12190	15.0
182.10941	8.1
183.11667	23.6
184.12393	6.3
185.09612	15.5
185.13283	11.8
187.11180	15.2
187.14760	7.6
189.09090	5.3
189.12688	7.4
191.14307	11.1
192.09410	5.5
193.10089	16.6
193.12212	17.3
194.10831	11.2
195.11729	19.9
196.12360	5.7
197.09676	7.4
197.13274	16.6
199.11246	13.6
199.14900	9.2
201.09111	10.2
201.12633	4.6
206.10968	7.2
207.11688	13.3
208.12486	6.3
209.13235	17.7
210.10434	5.1
211.11169	13.5
211.14793	11.9
213.12744	5.5
219.11729	10.4
221.13303	11.6
221.15298	9.9
223.11136	5.2
225.12654	9.2
227.14368	5.6
232.12476	5.9
245.13187	7.8
247.14780	7.3
249.12723	7.9
261.16339	6.6
263.14236	5.3
267.15915	75.3
271.16971	7.9
273.18460	20.0
275.14206	8.3
286.19391	6.8
305.17578	18.2
331.19199	18.6
337.21454	10.5
337.27435	72.5
352.23956	58.4
384.22812	40.4
397.23871	6.4
415.25613	7.9
444.29962	6.8
476.29263	25.6
504.32324	5.0
522.33356	12.8
529.38983	58.4
547.40167	23.3
582.27869	8.1
596.46930	8.9
614.30096	16.3
614.39355	80.8
614.48541	51.8
615.39941	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	614.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
55.01859	3.1
55.05519	9.6
56.05030	2.7
57.03440	11.1
58.99587	15.9
65.03931	2.5
67.04249	1.2
67.05509	17.2
69.03434	2.2
69.07071	7.4
70.06583	6.2
70.84608	1.2
70.84924	1.8
71.04992	2.1
72.08144	2.3
76.02232	62.0
76.04004	3.8
79.05494	11.3
80.04998	3.0
81.03419	10.0
81.07056	18.8
81.74510	1.3
82.06567	1.9
83.04989	19.2
83.06097	6.7
83.08605	3.6
84.04510	11.3
84.08092	1.5
85.02898	2.0
85.06541	2.4
86.99036	3.3
88.02207	1.1
91.05478	16.5
93.05776	4.5
93.07050	11.2
94.06536	1.2
95.04969	9.2
95.08612	11.4
97.01109	2.4
97.02901	11.0
97.06506	3.7
98.00639	2.0
99.02692	2.2
99.04460	2.6
100.02213	2.7
103.05454	1.7
105.07037	14.9
107.04973	16.1
107.08595	5.3
108.04514	1.1
108.08142	1.3
109.02894	2.1
109.06532	8.8
109.10152	3.1
110.06087	1.3
111.04446	16.5
112.02187	1.7
113.05976	2.9
114.03780	2.2
115.05466	2.0
116.01674	20.8
116.05344	1.2
117.07027	7.8
119.08596	7.2
121.06507	4.8
121.10152	3.3
123.08056	4.5
124.02180	2.1
124.03942	2.1
125.57610	1.2
126.03751	46.5
127.02144	2.2
127.04571	2.0
128.05290	4.9
128.06171	1.6
129.06743	3.7
130.04984	6.4
131.04951	1.2
131.08548	9.4
133.06483	4.6
133.10089	6.1
135.08031	5.2
135.11661	6.1
136.07632	1.2
137.04208	1.2
137.05957	1.9
137.09602	1.6
139.02106	1.5
139.08606	1.7
140.05296	5.1
141.04799	4.7
141.07001	1.4
142.03221	9.0
143.08525	3.6
144.01140	9.9
144.08148	1.0
145.06396	4.6
145.10132	5.0
147.08067	6.6
147.11697	2.2
149.13281	2.6
151.07513	1.3
153.03777	1.4
153.06544	1.4
155.08517	2.5
157.10164	3.2
159.08054	4.2
159.11688	6.1
161.05977	1.1
161.09660	4.5
162.02213	26.6
163.03841	1.3
163.07594	1.3
163.11229	3.7
164.05325	2.0
165.07742	1.0
167.07022	1.6
169.10121	3.2
170.02721	8.3
171.11731	1.5
173.09665	1.4
173.13226	2.0
175.07553	1.3
175.11160	1.7
177.03323	2.1
177.12746	10.1
179.04877	43.2
181.10097	1.2
183.07649	3.5
185.03848	4.2
185.13210	1.3
187.05418	13.1
187.07124	1.5
187.11201	1.9
187.14764	1.5
189.12738	2.4
195.13795	1.5
199.07222	1.3
201.12770	1.8
205.15892	3.1
215.04874	4.6
215.14365	1.9
219.13849	2.1
220.06064	1.2
229.06371	5.7
231.04289	5.6
233.05920	50.6
233.15381	6.3
243.08032	5.6
243.17522	2.0
245.05911	3.9
245.09734	1.1
254.06967	1.2
261.18555	6.1
271.16949	5.0
275.14594	1.2
289.17990	37.1
290.07965	1.6
290.18576	2.7
303.14053	2.2
307.19095	12.1
308.09125	31.6
320.16766	2.5
321.15176	10.6
328.17157	1.5
339.16241	2.0
346.18304	9.4
350.07895	2.9
351.08197	4.7
364.19431	29.1
365.10272	5.4
366.10480	13.6
374.18051	3.5
392.18915	1.8
403.20660	2.6
421.21362	1.5
431.19839	1.3
449.21094	61.7
450.21085	2.2
467.22137	100.0
468.22336	2.3
483.18365	1.2
486.12479	1.4
521.22729	1.6
527.15680	1.2
528.15692	3.4
539.24225	18.2
570.16656	4.5
596.25751	2.1
614.15985	2.4
614.27039	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	613.483
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.01108	2.0
53.03956	2.6
55.01884	4.6
55.05518	21.3
57.03430	6.3
57.07076	9.5
59.05006	4.7
61.06001	2.4
63.60567	1.9
65.03935	2.3
67.05511	42.6
68.05827	2.7
69.07078	20.3
69.37144	18.2
71.04977	3.4
71.08643	5.8
74.28004	2.2
79.05502	29.0
81.07063	54.6
82.07414	2.5
83.04980	2.0
83.08628	11.8
85.06537	2.5
85.10181	2.9
89.06031	2.6
91.05479	29.7
93.07050	33.3
95.04980	4.7
95.08612	40.7
97.06520	3.8
97.10181	6.7
99.08070	3.4
105.07042	32.3
107.08601	21.3
109.06544	2.0
109.10171	16.0
117.07053	8.8
119.08592	28.3
121.10164	12.8
123.08102	2.8
123.11716	4.4
125.09702	2.5
129.07002	5.5
131.08600	21.6
133.08653	2.7
133.10132	22.9
135.11720	11.8
137.05930	2.3
137.13167	2.1
141.07021	2.1
142.07814	2.1
143.08572	9.7
145.10141	21.0
147.11713	20.2
149.13295	8.0
157.10109	11.1
159.11691	12.7
161.13342	12.8
163.11250	2.7
163.14880	2.7
169.10165	4.4
171.11749	9.0
173.13295	8.0
175.14856	4.3
183.11714	6.0
185.13300	8.2
187.14890	3.9
189.16501	2.7
197.13402	2.5
199.14854	3.0
201.16364	3.5
211.14804	3.3
215.18051	2.7
217.19588	3.0
225.16527	2.3
231.21085	3.0
241.19527	9.8
257.19025	3.4
259.20578	19.6
261.22171	3.0
277.21686	3.6
285.22272	2.7
333.24329	8.3
335.25836	5.7
337.27377	12.8
521.43280	5.4
539.44513	4.8
587.00940	2.1
595.47363	11.3
613.48254	100.0
614.48975	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02378	1.1
53.03942	3.2
55.01882	1.5
55.05516	16.3
57.03441	5.0
57.07071	3.3
65.03935	2.5
67.05510	52.0
69.06723	1.6
69.07077	19.8
69.85443	3.5
69.85858	2.2
71.04990	1.7
71.08637	2.7
79.05500	26.5
81.07063	54.0
83.08628	10.7
85.06535	2.1
91.05486	20.8
93.07049	38.5
95.04959	2.6
95.08614	44.0
97.06548	3.5
97.10191	4.0
99.08109	2.2
105.07040	27.7
105.07752	1.4
107.08607	21.2
108.53242	1.0
109.06530	1.6
109.10164	22.7
109.10837	2.1
111.08086	1.3
114.11850	1.0
117.07033	9.0
119.08589	21.4
121.10159	17.8
123.11727	11.0
125.09654	1.7
129.07030	4.3
131.08580	17.5
133.10144	16.1
135.11713	12.6
137.13293	3.2
143.08588	5.7
144.09415	1.6
145.10147	19.0
147.11714	13.6
149.13286	8.0
151.14809	1.2
155.08560	1.5
157.10146	5.4
159.11705	13.1
161.13254	9.5
163.14851	3.7
169.10210	1.9
171.11661	6.1
173.13281	8.8
175.14886	6.7
177.16522	2.0
179.14459	2.4
183.11713	2.5
185.13280	6.1
187.14754	5.0
189.16415	3.8
197.13301	1.6
199.14925	3.1
201.16483	2.7
203.17993	2.5
213.16475	2.5
214.34856	1.0
215.18008	2.5
217.19569	2.1
225.16418	1.4
241.19547	3.2
243.21223	1.5
245.22711	1.7
247.20737	1.6
250.30145	1.2
257.19003	1.5
259.20605	8.5
261.22183	9.3
271.20612	1.6
275.19946	1.2
277.21713	3.5
285.22202	1.9
295.22827	1.2
299.23334	1.1
311.30896	1.0
313.25336	2.1
315.26917	1.6
333.24371	4.4
335.25839	14.1
337.27280	8.5
341.28638	1.6
437.33847	1.1
467.25577	1.2
503.37216	2.4
521.43634	6.2
531.40131	1.2
539.44653	2.5
543.40399	2.0
595.47394	11.4
613.48297	100.0
614.48083	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02380	0.9
53.03947	3.0
55.01869	1.6
55.05264	1.3
55.05515	21.3
57.03447	5.7
57.07072	3.5
65.03941	3.3
67.05510	52.8
69.06721	1.7
69.07074	20.5
71.04984	2.1
71.08630	1.0
79.05501	33.3
81.07063	62.9
82.07360	0.9
83.04980	1.9
83.08621	10.2
85.06551	2.5
90.75883	0.8
91.05484	27.9
93.07054	39.8
95.04989	2.5
95.08614	51.3
97.06541	2.7
97.10171	5.8
98.21573	1.3
99.08115	1.5
103.07726	0.9
105.04500	1.4
105.07035	26.4
107.08602	25.0
109.06490	1.0
109.10162	26.7
111.08056	1.5
111.11764	1.1
113.09643	1.2
117.07021	9.4
119.08591	27.3
121.06563	1.3
121.10151	23.2
121.11026	1.3
121.34312	0.8
123.11723	10.6
125.09705	1.2
128.06177	1.3
129.07034	4.6
131.08577	18.9
133.10146	19.8
135.08067	1.0
135.11708	17.2
137.13310	2.9
139.11163	1.1
143.08586	5.8
145.10129	20.5
147.11703	15.7
149.09647	1.4
149.13260	8.0
149.14294	1.3
155.08589	2.8
157.10124	6.5
159.11703	16.1
161.13263	12.4
163.14833	5.5
169.10182	3.2
171.11737	6.3
173.13284	14.0
175.14845	5.6
177.16435	1.5
181.10036	1.1
183.11729	2.7
185.13281	6.0
187.14833	6.6
189.16440	3.9
195.13766	0.8
197.13292	2.4
199.14891	3.6
199.72610	1.0
201.16429	3.7
203.17966	1.4
211.14905	1.5
213.16402	2.6
215.18001	2.7
217.19618	1.6
221.19193	0.9
222.73730	1.1
225.16428	1.1
229.19518	1.0
231.21167	2.1
239.18005	1.2
241.19566	3.7
243.21150	2.8
245.22798	1.7
259.20612	9.2
261.22189	13.7
263.23871	2.3
273.22357	1.6
277.21750	2.0
279.23157	1.3
285.22137	1.6
287.23785	1.5
289.21976	1.1
291.23111	1.1
299.23669	2.8
299.26758	1.0
301.25348	1.3
306.48950	0.9
313.25430	1.6
315.23260	1.0
315.26773	1.2
317.24973	2.1
327.26999	1.5
333.24179	6.0
335.25772	15.8
337.27502	9.9
341.28357	1.2
341.98373	0.9
355.30399	1.2
437.34506	1.0
503.37180	2.5
517.39209	1.2
521.43463	7.2
529.38965	1.3
531.40320	1.2
539.44550	3.3
543.40759	1.9
595.47260	11.0
613.48267	100.0
614.47980	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	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.96520	1.4
53.03951	2.6
55.05513	15.5
57.03451	4.3
57.07085	3.7
60.11531	1.5
61.30386	1.5
65.03957	2.3
67.05174	2.5
67.05510	38.3
67.16218	1.4
69.07074	16.8
69.25668	6.8
69.26088	8.3
71.04981	1.6
71.08630	3.0
74.09719	3.2
79.05063	2.4
79.05503	25.7
81.07064	42.9
81.07528	3.0
83.08627	7.8
89.06042	1.9
91.05465	19.0
93.07054	27.8
95.05000	2.0
95.08618	33.9
95.17781	1.7
96.37165	1.7
97.06542	2.7
97.10166	3.5
99.08104	2.5
101.56873	1.5
105.07032	22.1
107.08602	17.7
109.10176	16.0
111.08146	2.7
117.07056	9.4
119.08595	21.3
121.10161	13.1
123.08029	2.7
123.11723	5.2
129.07068	5.2
130.07802	2.0
131.08571	15.1
133.10146	13.7
135.11716	7.1
137.13358	1.6
143.08591	7.4
144.09320	1.9
145.10130	18.1
147.11717	10.1
149.13307	6.5
151.11194	1.6
155.08569	3.4
157.10162	10.0
159.11749	14.8
161.13319	6.4
163.14885	2.6
169.10201	1.5
171.11731	5.6
173.13245	8.8
175.14806	3.9
179.14360	4.7
183.11722	3.8
184.90521	1.7
185.13307	5.3
187.14821	5.0
189.16400	1.9
199.14816	3.6
201.16479	3.3
215.17999	2.5
259.20502	3.6
261.22208	2.3
267.70087	1.6
277.21762	6.4
335.25833	1.9
362.28860	1.7
521.43372	8.0
539.45007	3.7
595.47168	8.1
613.48285	100.0
614.48456	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	613.2657
Annotation	Karajinone B
Peak:m/z	Relative Intensity
53.03942	1.7
55.05507	2.5
57.08783	1.0
67.05502	5.4
67.22948	1.1
70.06602	1.9
70.09035	4.7
71.04996	1.2
79.05500	3.5
81.07063	4.1
83.05000	1.3
85.02914	2.1
91.05487	5.6
93.07057	3.1
95.08616	2.3
105.07051	3.0
107.08599	2.8
108.08146	1.4
109.10154	2.3
119.08526	2.9
121.10208	2.6
122.06049	1.7
130.06573	1.2
131.08630	1.6
134.06017	1.6
136.07660	2.9
143.08571	1.2
146.09665	1.5
152.14189	1.3
160.07585	1.3
160.11201	1.2
165.21858	1.1
169.10197	1.3
174.09192	6.5
186.09145	1.5
187.08630	2.0
187.12326	5.8
188.10748	4.2
193.10219	1.4
211.08698	1.2
213.10193	2.1
215.11969	2.6
223.08704	1.4
225.10280	3.9
227.11848	5.7
237.10367	1.3
239.11884	4.2
241.13385	5.7
243.11337	23.3
249.10332	3.1
250.11113	1.5
251.11797	2.7
253.09830	2.5
255.11383	2.4
267.11374	9.6
269.12943	4.7
271.10980	1.7
277.09671	2.7
287.14059	4.5
293.12839	2.5
295.10846	5.5
302.13058	1.7
309.12338	1.7
311.14255	1.6
313.12024	2.2
314.12885	2.3
315.13522	1.5
316.14307	1.9
319.10757	2.4
327.13501	8.5
328.10861	2.1
328.14465	2.3
330.12582	2.3
330.16180	2.4
332.14099	1.6
342.12424	2.7
342.16168	1.7
343.12778	2.5
344.13925	2.5
346.15805	2.1
348.13519	3.3
356.14056	3.8
357.14792	1.7
358.15662	5.1
359.16101	2.0
370.15610	2.1
372.17252	5.5
374.18970	2.4
376.17032	1.5
386.18866	1.9
400.16409	2.4
402.17947	1.7
407.15497	2.1
417.16696	1.6
418.17792	5.0
437.19907	2.6
446.16696	1.9
449.16141	1.4
462.24292	1.4
465.18594	8.7
474.40320	1.4
477.19287	2.7
478.19785	2.9
479.20761	5.2
480.21188	2.5
489.23285	2.2
490.19412	5.8
492.21957	2.8
493.22339	3.9
494.22559	1.7
507.23758	1.7
508.20508	1.9
535.23431	18.6
536.22900	1.4
539.23083	2.0
540.23413	1.6
553.24536	82.8
554.24536	2.5
563.23462	3.4
581.23987	63.1
582.24152	3.1
613.26624	100.0
613.36530	3.8
614.26801	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71387	1.5
53.03950	2.5
55.05521	17.6
57.03432	5.8
57.07069	6.7
65.03935	3.0
67.05180	1.9
67.05512	30.5
69.07078	15.0
70.06563	2.3
71.04996	2.1
71.08620	2.9
71.56129	3.3
79.05505	19.5
81.03445	3.0
81.07066	26.5
83.08646	8.3
85.02917	2.4
85.06565	2.3
91.05479	17.2
93.07045	18.4
95.01295	2.8
95.04986	4.2
95.08625	23.9
97.06551	1.7
97.10172	7.0
105.07039	21.4
107.04984	2.3
107.08616	13.0
109.06545	2.5
109.10174	10.6
117.07034	12.2
119.08597	17.0
121.10156	9.9
123.11727	3.9
125.09666	1.9
128.06198	2.6
129.06982	10.4
131.08601	21.3
133.10152	9.8
135.11707	6.5
137.09659	1.7
137.13316	2.5
141.07037	3.4
143.08572	17.2
145.10146	19.4
147.04439	6.7
147.11725	5.4
149.13312	2.7
155.08589	11.0
157.10147	14.0
159.11720	13.4
161.13312	4.0
163.14903	1.6
167.08704	2.4
169.10175	11.8
171.11691	11.4
173.13307	8.8
175.14867	3.0
177.12735	1.8
181.10214	5.5
183.11722	9.7
185.13318	6.6
187.14859	5.6
193.10193	1.8
195.11729	4.7
197.13356	7.5
199.14876	6.7
201.16505	3.8
204.07147	1.6
209.13371	4.3
211.14931	5.6
213.16373	5.7
223.14818	3.2
225.16452	5.5
227.18097	5.2
229.19608	2.0
235.15051	2.6
237.16399	3.3
239.17990	2.8
241.19592	2.6
243.20958	1.9
244.44135	1.9
251.17987	2.4
255.21259	1.7
259.13434	6.3
279.20801	2.1
295.24307	1.9
303.05038	8.1
313.21793	1.9
463.36002	1.8
475.56268	1.7
501.40866	2.3
519.41895	13.3
537.43262	8.0
575.44336	1.9
593.45959	13.0
611.36633	4.5
611.46729	100.0
612.47449	3.0
634.28729	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82878	1.1
53.03945	3.7
55.05259	1.7
55.05513	21.4
57.03429	5.0
57.07083	6.2
59.04969	1.4
60.11497	1.1
65.03936	2.6
67.05508	56.5
69.07071	19.3
69.53136	8.6
71.04998	3.4
71.08640	1.5
73.04765	2.0
79.05496	41.1
81.07060	54.6
83.04974	1.7
83.08630	9.5
85.06557	2.5
86.59093	1.1
91.05472	33.0
93.07050	43.9
95.04963	4.4
95.08611	39.3
95.09232	1.7
97.06543	3.1
97.10173	4.2
98.20725	1.5
99.08098	1.4
103.05485	1.4
105.04556	1.4
105.07036	37.7
107.08598	26.9
109.10158	18.5
111.08116	1.7
115.05440	1.6
117.07028	15.6
119.08588	32.1
120.97955	1.2
121.10140	21.8
123.08102	2.7
123.11709	7.0
125.09687	1.7
128.06186	2.7
129.07008	10.3
131.08577	26.8
133.10141	24.8
135.11700	12.0
137.09650	1.3
137.13249	1.6
139.11183	1.2
141.06993	3.4
142.07819	2.2
143.08591	14.1
144.09428	1.4
145.10124	23.6
147.11691	18.6
149.13248	8.0
155.08533	6.0
156.09338	1.5
157.10152	17.0
159.11713	21.6
161.13254	12.1
163.14893	3.4
167.08539	2.0
169.10149	7.1
171.11655	12.3
172.12576	1.3
173.13287	14.7
175.14859	5.2
177.16293	1.6
181.10153	3.4
183.11711	8.1
185.13239	9.5
187.14793	7.2
189.16441	3.0
191.17931	1.3
195.11748	1.8
197.13275	5.8
199.14861	7.3
201.16484	2.2
203.17943	1.7
209.13264	2.6
211.14809	5.8
213.16437	4.4
215.18028	2.4
225.16501	2.9
227.18091	2.7
231.17514	1.7
231.21133	1.6
237.16483	2.6
239.18016	2.9
241.19655	9.0
243.21132	2.5
257.19037	3.2
259.20627	15.0
261.22189	3.7
275.20166	1.7
277.21747	1.5
297.22006	1.8
299.23688	1.4
311.23822	1.6
315.23303	1.5
317.24774	1.3
325.25476	1.6
333.24280	11.4
335.25812	16.9
353.28537	2.6
393.14905	1.2
454.98596	1.4
519.41956	7.6
537.43243	4.1
541.39178	2.9
593.45819	9.9
611.46716	100.0
612.46973	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	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43302	0.5
53.03944	1.1
55.01876	0.9
55.05263	0.9
55.05514	15.3
55.21797	0.5
57.03440	3.6
57.07082	3.3
59.04996	0.7
65.03946	1.9
66.01790	0.5
67.05506	29.2
69.07070	13.9
69.07449	0.6
69.89094	1.8
69.89497	1.1
71.04964	1.1
71.08623	2.0
79.05498	16.2
81.07059	29.6
83.04993	1.6
83.08615	8.9
85.06542	1.4
85.10218	0.6
91.05473	16.0
92.22650	0.5
93.07044	20.8
95.04978	1.9
95.08607	22.7
97.06544	2.0
97.10178	3.9
99.08126	0.9
103.05488	0.9
105.07034	19.9
107.08600	11.7
109.06520	1.0
109.10160	8.9
111.08096	1.7
113.06080	0.6
115.05483	1.4
117.07025	11.0
119.08579	15.3
121.10152	10.0
123.08083	0.9
123.11673	2.9
125.09650	1.7
128.06261	2.4
129.07008	10.9
130.07793	1.1
131.08574	19.9
133.10132	10.2
135.11703	5.3
135.43022	0.5
137.09631	1.1
137.13278	0.9
141.07008	4.1
142.07779	1.8
143.08577	15.7
145.10126	17.8
147.08022	0.7
147.11688	6.1
149.09654	1.1
149.13225	3.7
151.11162	0.9
155.08559	7.6
156.09361	1.3
157.08858	0.5
157.10136	13.3
159.11699	13.1
161.13234	4.4
162.60750	0.7
163.14865	1.7
165.06981	0.8
167.08589	3.6
168.09363	1.0
169.10124	9.3
171.11687	12.8
171.13130	0.9
172.12473	0.6
173.13260	7.1
175.14851	2.6
177.16473	1.7
179.08568	1.3
179.14386	0.9
180.09372	0.7
181.10150	3.6
183.11699	9.2
185.13240	8.1
187.14801	5.6
189.16417	1.9
191.17929	1.1
193.10004	0.7
195.11711	4.9
197.13272	6.2
199.13197	1.0
199.14856	5.2
201.16469	3.6
203.18018	1.3
205.19572	0.7
207.11690	1.1
209.13304	2.6
211.14804	4.7
213.16545	3.3
215.17996	2.1
217.19588	1.6
221.13312	0.6
223.14807	3.0
225.16348	3.6
227.18114	4.3
229.19600	2.5
233.13438	0.7
235.14908	1.9
237.16484	1.8
239.17999	2.5
241.19608	2.2
243.21114	1.9
245.18945	0.8
249.16443	0.7
251.17903	1.5
253.19859	1.0
255.21291	1.1
257.19162	1.0
257.22366	0.7
259.20532	1.0
261.22177	0.9
265.19492	0.9
267.21277	1.0
269.22705	0.8
271.20642	0.8
275.19983	1.1
277.21790	0.8
283.20609	1.2
283.24243	0.8
291.21268	0.7
295.20511	0.7
295.24020	0.9
297.22214	0.9
299.20261	0.7
305.21344	0.7
325.25323	1.5
330.41687	0.6
339.26898	1.2
351.26746	0.8
353.24509	0.8
353.28473	1.5
367.30228	0.8
381.31882	1.1
383.29510	1.0
393.31757	0.7
395.33322	1.3
407.28827	0.8
412.48886	0.9
423.32391	0.8
427.32458	0.6
431.33365	0.9
433.29596	0.9
435.32889	1.0
439.35907	0.6
449.34189	1.3
485.36307	0.8
501.41577	1.5
519.41962	8.1
529.38904	0.9
537.43121	5.9
541.38849	1.3
575.44550	1.8
593.45660	10.0
611.46704	100.0
612.46722	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	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01868	2.0
55.05259	1.7
55.05511	17.1
57.03442	5.4
57.07077	4.2
65.03949	2.8
67.05508	42.7
69.07072	16.0
70.68639	1.0
70.68956	1.6
71.04995	2.4
71.08629	2.4
75.12066	0.8
77.03915	0.9
79.05497	30.8
79.62882	0.7
81.07061	42.9
83.05009	1.5
83.08614	7.1
85.06544	1.8
89.06046	1.7
91.05482	29.0
93.07047	34.5
95.04980	3.7
95.08612	34.9
97.06540	2.8
97.10184	4.2
99.08092	1.6
105.07039	29.1
107.08596	20.2
109.06567	1.3
109.10168	13.7
111.08134	1.8
115.05440	1.5
117.07021	13.0
119.08584	30.1
121.08379	1.0
121.10139	16.1
123.11712	5.3
125.09631	1.4
128.06262	2.1
129.07018	10.7
131.08580	22.7
133.10135	21.0
135.08040	1.0
135.11703	11.8
137.09654	1.9
137.13350	1.0
141.07034	2.6
142.07793	2.5
143.08568	12.1
145.10124	22.2
147.11685	14.4
149.09590	1.3
149.13258	8.2
155.08546	5.7
156.09297	1.5
157.10146	12.3
159.11702	15.2
161.13287	12.2
163.11229	1.4
163.14830	2.9
167.08588	2.0
169.10144	7.5
171.11687	13.7
173.13287	13.3
175.14813	5.2
177.16396	1.4
181.10181	2.4
183.11697	7.9
184.12070	1.0
185.13268	10.4
187.14836	4.4
189.16359	1.7
191.17941	1.1
195.11647	2.1
197.13261	6.4
199.14850	7.4
201.16431	4.1
209.13338	2.5
211.14822	3.7
213.14644	1.3
213.16464	4.6
214.39981	0.8
215.17929	2.1
223.14888	3.1
225.16458	3.6
227.18034	2.6
229.19548	2.1
231.21135	2.6
235.14867	1.2
237.16525	1.7
239.18007	3.1
241.19618	8.4
243.21213	2.0
251.24431	0.9
253.19475	1.2
255.21375	0.9
257.19067	3.0
259.20590	16.6
261.22098	4.4
265.19708	1.1
271.20547	1.2
277.21744	1.7
285.22318	1.2
287.23862	1.0
299.23615	1.4
315.23251	1.8
325.25406	1.6
333.24274	9.4
335.25836	16.9
337.27643	1.4
339.26907	1.1
347.25989	1.1
353.28415	1.7
381.31711	1.3
489.35941	1.3
501.35052	1.2
501.41422	1.3
503.36499	1.2
519.31555	1.0
519.41888	7.2
529.38678	1.1
537.43188	3.6
541.39105	1.6
593.45575	9.2
611.46686	100.0
612.47052	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46606	1.1
53.03946	3.8
54.24580	1.0
55.01874	1.9
55.05268	1.6
55.05513	20.6
57.03446	6.5
57.07079	5.1
65.03941	5.1
66.26297	1.1
66.42850	0.9
67.05508	57.8
69.07069	20.4
71.04991	1.8
71.08626	1.9
77.03947	1.7
79.05494	45.0
81.03430	1.2
81.07060	56.8
83.04975	2.6
83.08627	8.7
83.94761	1.0
85.06534	2.7
91.05478	38.7
93.07045	52.7
94.47069	1.0
95.04980	4.3
95.08604	43.7
97.06547	3.5
97.10177	4.4
99.08091	2.4
105.04543	1.5
105.07035	41.1
107.08595	25.1
109.10159	20.0
111.08128	2.1
115.05454	2.2
116.06224	1.3
117.07026	17.5
119.08588	33.7
121.06545	1.1
121.10147	19.4
123.08054	1.6
123.11711	7.4
128.06291	2.5
129.05511	1.7
129.07010	11.1
130.07797	1.1
131.08569	28.0
133.10136	24.6
135.08003	1.2
135.11694	15.9
137.09653	1.5
137.13286	1.4
141.07019	2.1
142.07796	2.5
143.08578	15.5
144.09312	1.2
145.10126	26.8
145.11288	1.5
147.11694	22.1
149.09691	1.2
149.13268	9.2
151.14891	1.1
155.08525	6.4
157.10141	13.1
158.86842	1.0
159.11710	20.9
161.13271	14.5
163.14833	4.9
167.08539	1.7
169.10106	10.1
170.10905	1.2
171.11671	12.7
173.13264	14.4
175.14845	7.5
177.12807	1.9
177.16397	1.9
179.14310	1.3
181.10126	3.3
183.11685	7.5
184.12286	1.2
185.13257	12.1
187.14825	7.5
189.16444	1.9
191.14384	1.5
195.11725	3.1
197.13251	8.6
199.14819	8.5
201.16434	6.0
207.11713	1.4
209.13336	2.7
211.14891	3.2
213.16412	6.1
215.18024	3.2
221.13417	1.2
223.14934	2.1
225.16429	2.5
227.18182	2.4
229.19585	1.2
231.21069	1.9
235.14941	1.2
237.16429	2.5
239.17952	3.2
241.19633	10.5
243.21175	2.0
255.20905	1.5
257.19135	5.4
259.20593	20.1
261.22220	4.2
275.20163	2.1
277.21637	1.4
285.22318	1.9
313.25412	1.1
315.23523	2.3
315.26782	1.4
331.22638	1.3
333.24265	13.0
335.25793	23.1
361.08179	1.1
367.30334	1.5
449.34210	1.5
489.35712	1.3
501.40875	1.9
503.37408	2.0
519.42078	7.6
527.36932	1.6
529.38464	1.2
537.42865	4.3
593.45715	9.9
611.46698	100.0
612.47009	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	611.2864
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
55.05513	0.4
64.05880	0.3
67.05502	0.8
69.84312	0.6
69.84698	1.1
70.06615	0.5
79.05529	0.4
81.07052	0.8
85.02911	0.4
91.05450	0.5
93.07057	0.7
95.08652	0.4
98.21509	0.5
105.07032	0.7
107.08601	0.4
119.08584	0.6
121.10104	0.5
125.67492	0.3
129.07053	0.6
147.04404	0.4
152.28114	0.4
188.02718	0.3
196.23799	0.3
248.87462	0.4
289.08960	0.3
303.05032	1.5
314.62576	0.3
346.06076	0.3
373.67935	0.4
377.17612	0.6
379.19241	0.4
389.17572	0.7
390.18527	0.5
391.19449	1.6
392.20291	0.6
393.20752	1.2
403.19177	0.8
405.17010	1.3
405.21228	1.0
407.22580	3.3
408.18933	0.4
409.20172	0.5
417.21146	0.7
418.17715	1.0
419.17917	3.0
419.22852	1.3
420.19290	0.9
421.20383	2.1
422.21124	0.7
423.21838	1.2
431.18369	0.7
432.19461	1.0
433.20212	9.5
434.21329	2.8
435.17596	1.7
435.22974	3.3
437.23749	3.0
438.24130	0.4
446.21085	1.2
447.21759	1.9
448.22894	0.7
449.19437	4.4
450.20413	1.8
451.21033	2.8
461.23740	0.7
463.21024	2.9
464.22046	8.8
465.22797	6.3
466.23172	0.4
477.22952	2.2
478.23837	1.1
481.21912	0.3
491.24594	0.7
493.22141	0.6
496.24448	0.5
509.21417	1.8
519.24048	0.5
520.24518	0.5
521.25610	5.3
523.23804	1.2
533.25763	0.5
536.23914	0.6
551.26520	23.1
552.27252	0.7
579.26160	0.6
580.27087	0.5
581.27551	0.8
583.28467	0.7
593.27472	0.7
611.28650	100.0
612.28754	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	611.1606
Annotation	Isorhamnetin 3-xylosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
57.03435	0.6
69.03428	1.7
70.06583	0.9
70.88976	0.5
70.89313	0.4
72.08156	0.4
75.44872	0.3
81.03390	0.4
81.07046	0.3
85.02898	1.7
87.04459	1.3
91.05496	0.5
95.08627	0.4
97.02892	1.4
99.97407	0.3
107.08559	0.5
108.25652	0.3
109.02860	0.4
110.03660	0.6
115.03939	1.1
120.08188	0.4
127.03928	0.5
133.04984	1.3
137.02332	1.6
137.05984	0.4
146.17867	0.3
153.01799	1.4
165.27657	0.3
193.01151	0.4
200.04695	0.5
204.04277	0.7
228.04138	2.2
229.05042	1.1
245.04510	1.3
248.88695	0.3
256.03671	0.7
257.04507	1.0
273.03928	0.5
274.04706	4.4
285.04089	0.9
301.03452	8.5
302.04224	47.9
303.04877	4.6
317.06570	100.0
318.06964	1.7
449.10638	0.5
479.11829	21.5
480.11563	0.5
611.31116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.5
57.03431	2.9
61.36693	1.9
62.18744	2.3
62.88420	1.9
67.05499	4.7
69.03416	8.6
70.06593	30.6
71.04998	13.2
71.06923	4.2
71.55374	3.3
72.08147	9.3
79.05501	4.7
81.03418	10.3
81.07056	7.6
84.08130	2.7
85.02908	29.7
87.00833	5.0
91.05479	8.7
93.07041	5.6
94.04164	2.4
95.04981	5.6
95.08601	7.1
97.02898	13.7
99.04425	2.6
103.05454	6.2
105.01842	4.3
105.07023	6.2
106.06653	1.9
107.04967	4.7
107.08593	3.5
109.02879	6.0
109.10189	4.4
111.04430	5.7
119.04957	5.4
119.08568	3.5
120.08121	3.7
121.06507	2.8
121.10143	3.5
122.03632	6.3
123.11703	2.5
127.03917	11.7
127.13581	2.1
129.05441	2.7
131.04922	8.9
133.06538	14.0
133.07407	3.1
135.04425	2.4
135.07971	4.9
135.11639	2.5
136.07529	3.1
137.02324	2.8
137.05984	100.0
137.09535	2.3
139.03888	2.7
145.04945	5.2
145.06445	4.5
147.04422	16.9
147.49205	2.5
148.05095	2.8
149.05981	3.7
149.13214	2.7
151.07533	9.4
153.01813	6.1
161.05975	4.7
161.07135	8.2
163.03880	3.6
163.07549	29.9
167.03445	4.4
167.07190	4.5
168.03839	2.7
169.06479	3.2
175.03899	4.9
175.07529	4.9
175.14784	2.2
176.08289	2.0
177.05511	2.1
187.07532	5.3
187.10951	2.2
189.09132	4.6
191.10608	1.8
196.85750	1.9
201.05550	2.5
201.09048	2.6
203.10612	3.4
215.10791	1.9
229.04999	2.7
255.06506	3.2
258.05136	4.3
259.05322	2.4
268.73462	2.2
286.04739	10.3
287.04968	9.5
288.05289	7.5
291.26755	2.5
295.13333	11.5
300.06354	3.1
301.07043	26.5
302.04276	3.6
302.07391	25.7
303.04944	81.3
303.07834	18.5
315.08661	46.6
316.08987	39.1
317.09271	48.6
327.15857	13.6
351.16025	3.9
449.08694	2.7
464.12424	3.9
465.12885	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	611.1602
Annotation	Rutine
Peak:m/z	Relative Intensity
51.14947	0.3
53.03946	0.6
53.75401	0.4
57.03445	2.3
61.02929	0.8
69.03421	1.4
69.26538	4.0
69.26852	0.8
71.05000	13.3
75.04449	0.6
83.04987	0.6
85.02908	16.7
97.02894	1.1
98.20654	0.6
109.02895	0.9
111.00841	0.7
121.02863	1.0
123.48636	0.4
127.03952	0.6
129.05472	2.7
135.57585	0.4
137.02351	3.4
141.77438	0.4
142.56900	0.4
145.04945	0.8
147.06535	0.4
147.56935	0.4
153.01833	3.8
163.03940	0.5
165.01859	2.4
183.02829	0.6
190.87856	0.4
197.52393	0.4
201.05505	2.6
219.06847	0.5
229.05000	5.6
247.06137	0.8
254.33543	0.4
257.04456	3.1
274.04691	1.4
285.03970	1.5
303.05011	100.0
304.05307	1.5
503.89847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1399
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
53.03940	0.6
55.01859	0.5
55.05503	0.6
57.03436	0.6
57.07054	0.3
61.02953	0.2
65.03941	1.4
67.05510	1.6
68.99768	0.4
69.03432	2.1
69.07068	1.5
70.06601	2.0
71.04978	1.0
71.55631	0.4
72.08163	1.1
73.02938	0.3
77.81401	0.2
79.05486	1.2
81.02987	0.3
81.03428	4.2
81.07064	3.5
83.04946	0.3
83.08618	0.4
84.08125	0.6
85.02912	2.4
85.06557	1.4
86.09702	0.3
86.22464	0.2
87.00832	0.5
87.04374	0.2
91.05485	11.1
93.05765	0.2
93.07066	1.5
95.04976	0.6
95.08605	2.6
97.02893	2.1
97.06503	0.4
97.10168	0.5
99.04475	0.5
99.08084	0.4
103.84915	0.2
105.07065	1.3
107.04976	0.3
107.08594	1.8
109.02877	1.8
109.06537	0.4
109.10162	3.4
109.77558	0.2
111.04470	0.2
111.08083	0.4
113.20716	0.2
119.04951	23.5
119.08577	0.9
120.08123	0.6
121.06562	0.3
121.10163	1.3
123.04465	0.2
123.08060	0.3
123.11749	1.1
125.06002	0.3
125.09632	0.6
127.03932	1.3
133.10143	0.7
135.04410	0.4
135.11726	0.9
136.07591	0.4
137.02354	0.9
137.05962	0.5
137.09654	0.3
137.13292	0.4
139.11241	0.3
145.04988	0.3
145.06383	0.2
145.10098	0.3
146.05959	0.2
147.04419	100.0
147.11699	0.5
147.63872	0.2
148.04747	1.0
148.07584	1.0
149.07864	0.2
149.13231	1.1
153.01889	0.8
153.05467	0.8
155.08585	0.2
156.67928	0.2
158.73935	0.2
159.11653	0.3
161.06013	0.3
163.03961	0.4
163.07419	0.2
163.14830	0.6
165.01854	0.6
165.05478	3.3
167.07088	1.1
174.09160	0.7
175.07579	0.3
177.05443	0.3
179.06955	0.3
181.04834	0.3
201.05524	0.6
229.05087	1.3
252.08531	0.4
253.88452	0.3
257.04483	0.7
279.26889	0.3
291.08621	4.7
291.26923	0.9
297.28104	0.2
302.04327	0.3
303.05017	21.7
304.05414	0.4
309.09686	2.0
309.27878	1.3
311.10315	0.3
312.10760	0.3
317.06735	0.4
327.28970	0.9
339.09750	0.3
340.10175	0.4
345.29935	0.3
372.12692	0.4
382.38553	0.3
432.27319	0.3
449.30228	0.6
535.18982	0.2
541.95941	0.2
579.18152	0.8
611.36646	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01859	0.5
55.05503	0.6
57.03436	0.6
57.07054	0.3
61.02953	0.2
65.03941	1.4
67.05510	1.6
68.99768	0.4
69.03432	2.1
69.07068	1.5
70.06601	2.0
71.04978	1.0
71.55631	0.4
72.08163	1.1
73.02938	0.3
77.81401	0.2
79.05486	1.2
81.02987	0.3
81.03428	4.2
81.07064	3.5
83.04946	0.3
83.08618	0.4
84.08125	0.6
85.02912	2.4
85.06557	1.4
86.09702	0.3
86.22464	0.2
87.00832	0.5
87.04374	0.2
91.05485	11.1
93.05765	0.2
93.07066	1.5
95.04976	0.6
95.08605	2.6
97.02893	2.1
97.06503	0.4
97.10168	0.5
99.04475	0.5
99.08084	0.4
103.84915	0.2
105.07065	1.3
107.04976	0.3
107.08594	1.8
109.02877	1.8
109.06537	0.4
109.10162	3.4
109.77558	0.2
111.04470	0.2
111.08083	0.4
113.20716	0.2
119.04951	23.5
119.08577	0.9
120.08123	0.6
121.06562	0.3
121.10163	1.3
123.04465	0.2
123.08060	0.3
123.11749	1.1
125.06002	0.3
125.09632	0.6
127.03932	1.3
133.10143	0.7
135.04410	0.4
135.11726	0.9
136.07591	0.4
137.02354	0.9
137.05962	0.5
137.09654	0.3
137.13292	0.4
139.11241	0.3
145.04988	0.3
145.06383	0.2
145.10098	0.3
146.05959	0.2
147.04419	100.0
147.11699	0.5
147.63872	0.2
148.04747	1.0
148.07584	1.0
149.07864	0.2
149.13231	1.1
153.01889	0.8
153.05467	0.8
155.08585	0.2
156.67928	0.2
158.73935	0.2
159.11653	0.3
161.06013	0.3
163.03961	0.4
163.07419	0.2
163.14830	0.6
165.01854	0.6
165.05478	3.3
167.07088	1.1
174.09160	0.7
175.07579	0.3
177.05443	0.3
179.06955	0.3
181.04834	0.3
201.05524	0.6
229.05087	1.3
252.08531	0.4
253.88452	0.3
257.04483	0.7
279.26889	0.3
291.08621	4.7
291.26923	0.9
297.28104	0.2
302.04327	0.3
303.05017	21.7
304.05414	0.4
309.09686	2.0
309.27878	1.3
311.10315	0.3
312.10760	0.3
317.06735	0.4
327.28970	0.9
339.09750	0.3
340.10175	0.4
345.29935	0.3
372.12692	0.4
382.38553	0.3
432.27319	0.3
449.30228	0.6
535.18982	0.2
541.95941	0.2
579.18152	0.8
611.36646	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.6
55.05498	26.7
57.03438	8.3
57.07064	12.7
61.02921	11.2
67.05511	41.4
69.03422	29.7
69.07069	40.9
70.06593	20.6
71.04992	11.8
71.08614	8.2
71.55425	10.2
72.08154	19.3
79.05483	29.7
81.03414	39.3
81.07061	75.4
83.04971	7.2
83.08616	19.9
85.02908	66.9
85.06561	9.2
87.00813	15.7
91.05476	21.8
93.07048	51.0
95.04995	17.6
95.08608	100.0
97.02899	34.7
97.06551	15.3
97.10181	9.2
97.24411	7.8
99.04463	11.2
105.01855	29.3
105.07043	33.0
107.08589	24.5
109.02873	24.6
109.10189	50.2
111.04455	10.6
117.06985	10.8
119.08562	21.0
121.10134	30.9
123.08105	9.1
123.11695	18.7
125.09652	11.3
127.03963	40.3
129.05466	9.5
129.07069	7.5
133.10144	17.9
135.11690	22.9
145.10097	13.7
147.04401	11.5
147.11684	17.9
149.13208	18.1
153.05455	8.9
158.23811	6.8
159.11792	9.5
160.99362	6.9
161.13225	7.9
163.14792	7.7
167.07011	21.7
177.16432	8.9
189.16489	7.9
229.05466	6.9
231.04980	12.8
239.09279	6.6
269.07614	7.4
269.17410	25.3
273.25894	13.5
291.26877	38.8
303.04965	28.8
309.27802	15.2
355.06998	13.0
384.61136	8.6
592.31537	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	609.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.4
53.03948	11.7
55.01867	5.1
55.05516	33.0
57.03436	4.0
57.07078	6.6
58.31037	1.4
65.03953	4.1
67.05509	75.0
69.07074	31.5
71.04992	3.0
71.08634	25.2
71.56766	1.7
79.05496	70.0
81.03416	7.5
81.07061	66.9
83.04977	6.3
83.08623	14.7
85.06548	3.8
91.05479	83.5
93.07049	73.2
95.01339	6.2
95.04980	15.0
95.08611	49.7
97.06531	12.2
97.10172	5.1
99.08099	17.4
103.05485	2.4
104.06322	1.5
105.04521	2.5
105.07037	71.8
107.04954	14.8
107.08598	34.7
109.06503	4.1
109.10179	17.0
111.08075	2.7
115.05446	3.2
116.06216	1.8
117.07032	20.7
119.08588	51.4
121.06488	2.4
121.10151	26.9
123.08068	3.5
123.11709	2.7
125.05966	1.6
125.09660	2.8
128.06219	3.0
129.07042	12.2
130.07768	2.4
131.08583	33.2
133.06496	2.5
133.10143	42.0
135.08107	3.4
135.11713	24.9
137.09628	3.5
141.06992	3.7
141.09131	2.3
142.07828	1.9
143.08633	9.9
145.10133	25.9
147.11708	24.1
149.09593	3.2
149.13248	9.9
151.07545	2.5
151.11168	8.3
155.08609	6.0
156.09358	2.3
157.10146	12.1
159.11688	18.1
161.09593	2.4
161.13271	17.0
161.48811	1.6
163.11240	5.4
163.14874	2.8
167.08650	1.9
169.10190	6.5
171.11707	10.4
173.13286	9.8
175.14844	6.0
177.12785	3.7
179.14323	60.8
181.10155	2.1
182.10745	1.4
183.11644	8.1
184.94843	1.5
185.13202	8.1
187.11183	2.8
187.14867	4.4
189.12785	2.4
195.11690	2.6
197.13281	5.6
199.14828	3.5
201.16388	2.6
209.13309	4.0
211.14783	3.9
213.16422	2.7
217.15948	1.7
217.19568	1.8
219.17467	4.2
223.15071	2.1
225.16301	1.9
231.21034	2.8
235.16957	3.2
237.16011	1.7
239.17937	3.2
241.19501	9.0
243.21156	4.4
257.19061	5.5
259.20557	8.9
261.22168	4.9
275.20062	36.0
277.21643	35.0
293.21204	2.6
295.22827	4.4
297.22409	2.3
299.23758	1.7
315.23181	9.7
317.24774	2.3
331.22882	1.7
335.25745	1.8
336.08487	1.8
349.23947	4.9
351.25369	7.9
401.59943	1.8
483.34500	3.4
517.40411	4.6
520.19446	1.7
535.41083	2.1
536.39673	1.9
609.28571	3.5
609.45117	100.0
610.45593	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	609.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.3
52.77166	0.7
53.03941	8.0
55.01873	10.2
55.05266	1.8
55.05515	23.6
57.03440	5.0
57.07076	1.8
57.13890	0.8
60.47987	0.8
60.94871	0.7
65.03948	6.6
67.05507	68.9
68.05832	1.0
69.03433	2.6
69.07069	38.4
69.21458	7.5
69.21865	1.4
71.05006	2.9
77.03935	1.4
79.05494	72.3
81.03417	8.2
81.07058	80.4
83.04990	8.3
83.08627	10.5
85.06558	3.5
87.96100	0.8
91.05480	79.3
93.07045	70.1
95.01335	12.9
95.04974	16.0
95.08610	52.5
97.06535	17.7
97.10194	4.7
98.20693	1.6
99.08085	1.8
103.05475	2.7
103.94418	0.8
105.04534	2.7
105.07033	79.2
107.04954	18.4
107.08597	33.8
109.06532	7.8
109.10160	15.2
111.08086	3.7
111.11700	0.9
113.09641	1.0
115.05487	2.8
116.46352	0.8
117.07013	20.3
119.08582	46.4
121.06500	2.7
121.10149	21.3
123.04462	2.0
123.08049	4.3
123.11707	3.6
125.09640	2.3
128.06273	1.1
129.07010	4.3
130.07813	1.3
131.08569	30.5
131.09514	1.7
133.06538	1.2
133.10138	46.9
134.10460	1.0
135.08081	4.8
135.11694	13.5
137.09645	2.3
137.13217	1.8
139.07541	1.6
141.07030	1.5
143.08603	3.9
145.06526	2.3
145.10132	24.6
145.11264	1.2
147.08034	1.0
147.11685	21.1
149.09621	6.8
149.13258	7.2
151.11195	1.7
153.12849	1.3
155.08592	2.8
157.10130	5.5
159.08035	1.4
159.11714	13.6
161.09679	1.4
161.13245	8.3
163.11201	4.2
163.14828	1.7
165.09106	2.2
169.10146	3.4
171.11624	4.3
173.13229	6.7
175.14864	2.7
177.12747	5.0
179.14313	21.4
183.11736	3.9
185.13322	2.6
187.11244	3.4
187.14763	2.2
191.14322	1.2
195.13821	1.2
196.38681	0.9
197.13353	2.5
201.16429	2.6
205.12282	2.0
207.13882	0.9
209.15422	0.8
219.14027	1.5
219.17456	26.2
229.19615	2.3
239.17969	4.0
241.14455	1.8
247.20645	1.9
257.19034	8.7
275.20078	100.0
276.20438	1.3
293.21143	5.5
312.46817	1.1
330.36111	0.9
335.25854	1.6
349.23837	2.6
541.67395	0.9
609.45154	64.9
610.45538	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	609.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.00323	0.4
53.03947	1.0
53.36523	0.4
53.77080	0.3
55.01870	1.4
55.05513	15.5
57.03442	3.5
57.07069	2.2
59.05015	0.7
60.04230	0.4
65.03951	2.1
67.05508	25.5
69.03382	0.5
69.07069	12.2
69.69983	1.8
69.70396	0.9
71.04989	1.2
71.08632	0.6
77.03928	0.6
79.05495	18.6
81.07060	27.3
83.04972	1.5
83.08624	7.3
85.06558	1.7
85.10213	0.7
91.05482	15.7
93.07047	19.5
95.04973	2.1
95.08609	21.9
97.06532	2.1
97.10168	3.4
99.08091	0.6
103.05473	0.7
105.07029	16.7
107.08598	13.2
109.06544	1.2
109.10163	8.9
111.08101	1.3
111.11693	0.4
115.05463	1.4
116.06277	0.4
117.07024	9.9
119.08585	16.0
121.10151	7.7
123.08081	1.0
123.11715	1.9
125.09646	1.3
128.06194	3.7
129.07010	11.4
130.07823	1.1
131.08574	12.6
133.10143	12.0
135.08095	0.9
135.11697	5.0
137.13268	1.3
139.11162	0.6
141.07010	6.0
142.07774	3.2
143.08565	15.9
144.09306	0.5
145.10132	15.8
146.10596	0.4
147.11667	6.7
149.09656	0.6
149.13243	2.0
151.11195	0.5
151.91412	0.4
153.06987	1.6
153.99220	0.5
154.07805	1.0
155.08557	12.5
156.09352	1.6
157.10136	16.4
159.11700	10.1
161.09650	0.5
161.13284	3.1
163.11255	0.7
163.14883	1.1
165.07037	1.3
166.07846	1.0
167.08560	5.5
168.09352	2.3
169.10147	16.1
170.10933	1.9
171.11696	13.6
173.13264	7.1
173.14679	0.6
175.11305	0.6
175.14871	1.9
178.07927	0.4
179.08572	3.0
180.09335	1.2
181.10117	8.9
182.10930	1.4
183.11703	16.1
184.12309	0.5
185.13263	11.1
187.14838	3.2
189.16414	1.6
193.10156	3.6
194.10960	1.4
195.11682	10.6
195.13377	0.7
196.12540	1.3
197.13260	14.2
199.13232	0.8
199.14857	6.5
201.16434	1.8
203.18025	0.6
205.10060	0.7
206.11037	0.5
207.11723	3.4
209.13257	8.3
211.11481	0.5
211.14803	7.6
212.15529	0.6
213.16412	4.8
215.17984	1.1
216.36931	0.5
219.11653	0.9
221.13261	4.5
222.13879	0.6
223.14786	6.4
224.15546	0.6
225.16414	4.9
227.18033	3.5
233.13301	1.0
235.14799	2.3
237.16374	3.9
239.14444	0.6
239.18002	3.2
240.18663	0.5
241.19893	2.1
247.14900	1.1
247.20825	0.6
249.16441	1.8
251.17909	3.0
253.19649	2.1
255.21150	1.2
257.19052	1.0
259.20660	0.6
261.16461	1.0
261.22092	0.5
263.18033	1.4
265.19534	1.4
267.21136	0.6
269.19110	0.5
271.20856	0.6
275.20206	1.7
277.19452	0.8
279.21094	0.8
283.20575	1.2
289.19424	0.6
293.22620	0.9
295.20389	0.6
297.22244	0.9
299.20261	0.9
309.22098	0.7
311.20349	0.9
311.23907	1.4
313.21701	0.8
313.25143	0.5
321.22244	1.0
323.23831	1.3
325.21780	1.0
325.25339	0.8
327.23242	0.8
335.23801	1.6
337.25296	1.9
339.23083	0.9
341.24783	0.7
347.23572	0.9
349.25214	1.3
351.26910	2.1
353.24661	0.7
355.26483	0.6
363.26834	0.6
365.24637	0.6
365.28568	1.3
369.27994	0.6
375.26718	0.5
377.28290	1.2
379.25879	0.6
379.30154	1.2
381.27817	0.7
387.26712	0.7
391.29932	1.0
393.27670	0.7
393.32095	0.8
395.29260	0.6
405.31891	1.0
407.29202	0.9
409.30841	0.9
417.31796	0.8
421.30679	0.8
423.32782	0.6
429.31351	0.5
435.32608	0.7
443.33011	0.6
447.32553	1.2
459.31754	0.5
461.34204	1.0
465.33243	0.6
473.32782	0.7
475.35123	0.7
499.39966	2.2
501.36096	0.5
515.37555	0.9
517.40442	12.8
521.36505	0.8
527.37469	0.6
535.41608	6.5
539.37390	1.5
549.24292	0.6
553.42010	0.5
565.42419	0.9
573.42902	1.7
591.44098	11.9
592.44690	0.5
609.26044	5.5
609.45129	100.0
610.45532	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	609.4512
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03944	1.8
54.24909	0.6
55.01866	1.5
55.05262	1.1
55.05513	14.7
57.03443	3.6
57.07076	1.6
59.30143	0.7
65.03933	2.2
67.05505	25.2
69.07070	11.2
69.26109	5.7
71.04991	0.6
76.04952	0.6
79.05500	15.9
81.03382	0.7
81.07059	24.1
83.04964	1.3
83.08621	5.6
85.06532	1.0
91.05487	18.3
93.07047	21.0
95.04980	2.3
95.08611	18.0
97.06539	1.2
97.10181	3.3
103.05461	0.8
105.07035	17.1
107.08607	11.7
109.06464	1.1
109.10168	8.8
111.08064	1.5
111.11806	0.6
115.05428	1.1
116.06210	0.6
117.07030	12.5
119.08593	14.6
119.09441	0.8
121.10140	8.3
123.08041	0.7
123.11711	2.2
125.09634	1.2
128.06216	2.9
129.07010	9.3
130.07785	0.9
131.08574	14.6
133.10138	11.7
135.11711	4.6
137.09615	1.1
137.13245	1.3
141.06989	4.9
142.07797	3.3
143.08572	12.6
144.09332	0.7
145.10130	13.1
147.11711	5.9
149.09673	1.0
149.13245	3.0
153.07059	1.5
154.07742	1.4
155.08549	9.6
156.09337	1.9
157.10146	13.2
158.11000	0.6
159.11697	9.7
161.13275	3.9
163.14874	1.1
165.07082	1.0
166.07883	1.0
167.08569	5.5
168.09328	1.7
169.10132	11.5
170.10918	0.7
171.11694	11.1
172.12505	0.6
173.13277	7.1
175.14861	2.7
179.08600	2.2
181.10114	7.1
182.10892	0.8
183.11700	12.7
185.13251	9.1
187.14842	3.9
189.16420	1.3
193.10176	2.2
195.11723	8.4
197.13246	9.9
199.14879	4.8
201.16389	2.0
203.18019	0.7
205.10207	0.9
207.11771	2.3
209.13281	6.7
211.14847	5.4
213.16417	3.1
215.18015	0.8
219.11658	0.7
221.13333	2.6
223.14864	5.1
225.16432	4.5
227.17987	2.2
233.13379	0.9
235.14830	2.3
237.16405	3.6
239.18144	2.9
241.19762	0.9
247.14949	1.5
249.16373	1.3
251.17966	2.0
253.19557	1.8
255.21266	0.7
256.58423	0.6
257.19101	1.7
259.20587	1.0
261.21964	0.7
265.19504	1.9
275.20074	3.3
283.20486	0.7
295.20764	0.8
307.20593	0.9
311.23734	1.4
313.21762	1.2
321.22110	0.8
323.23743	1.4
327.23093	0.8
337.25500	1.4
339.23309	0.9
341.24908	1.0
349.25327	1.2
351.26761	2.9
353.24765	1.0
355.25998	0.8
363.26715	1.0
365.28381	1.6
367.26151	0.8
381.27927	0.8
387.56836	0.8
393.31680	1.1
409.31009	0.8
421.41461	0.8
433.30231	0.7
447.32498	0.9
473.32748	0.7
499.39450	1.8
515.37744	1.5
517.40527	10.7
525.36139	0.7
535.41406	4.4
539.37537	2.5
540.38153	0.9
553.43207	0.7
555.41699	1.0
573.43042	1.3
591.44122	9.2
609.45154	100.0
610.45435	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	609.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01868	1.2
55.05267	1.0
55.05514	14.0
57.03443	4.6
57.07067	2.5
59.05000	0.6
60.46687	0.5
65.03935	1.5
67.05507	25.3
69.06724	1.0
69.07074	13.4
69.55322	4.1
71.04992	1.3
71.08620	0.8
73.38486	0.6
79.05063	1.1
79.05499	16.2
81.03422	0.6
81.07062	22.9
83.04978	1.3
83.08632	7.0
85.06529	1.6
91.05484	14.5
91.06013	1.2
93.07047	18.9
94.65114	0.6
95.04962	1.9
95.08611	21.2
96.08949	0.6
97.06522	2.1
97.10184	4.4
105.07037	14.6
107.08604	10.0
109.06488	0.6
109.10163	9.2
111.08078	1.1
115.05505	1.5
117.07034	9.7
119.08585	14.7
121.10154	7.7
123.08080	1.3
123.11711	2.7
125.09644	1.9
128.06244	4.0
129.07014	11.6
130.07782	1.1
131.08571	12.7
133.10132	10.9
135.11696	4.1
141.06987	5.8
142.07790	3.0
143.08569	16.6
145.06387	0.8
145.10138	13.0
147.11696	5.1
149.13290	2.6
153.07022	1.6
154.07788	2.0
155.08560	13.8
156.09352	2.2
157.10135	16.5
159.11673	10.2
161.13249	3.5
163.14886	0.8
165.07028	1.1
165.54103	0.5
166.07713	0.9
167.08585	5.6
168.09395	2.2
169.10136	17.2
170.10857	1.2
171.11711	14.5
173.13304	5.1
175.14841	2.0
177.16344	0.8
179.08595	2.8
180.09398	1.0
181.10130	8.9
182.10895	1.3
183.11708	15.0
184.12419	0.8
185.13272	10.2
187.14867	4.0
189.16400	1.6
192.09387	0.7
193.10144	2.4
194.10875	1.4
195.11703	9.3
195.13403	0.7
196.12395	1.2
197.13271	13.8
199.13220	1.0
199.14845	6.1
201.16454	1.4
203.17966	0.8
205.10112	0.8
206.10928	0.9
207.11760	4.2
209.13275	9.7
210.14130	0.9
211.14844	8.8
213.14621	1.0
213.16444	5.2
215.18059	1.0
219.11667	1.5
221.13240	3.4
223.14825	7.3
224.15620	0.8
225.16405	6.5
227.18051	3.1
233.13297	1.1
235.14899	2.6
237.16388	4.6
239.18033	3.5
241.19606	2.2
247.14833	1.1
248.15730	0.8
249.16470	2.6
251.18022	3.1
253.19550	2.6
261.16351	1.0
263.18060	1.6
265.19690	1.6
267.21027	0.9
269.18912	0.7
275.20221	0.6
277.19492	1.1
279.20865	1.3
281.22736	1.3
283.20679	0.8
293.22714	0.8
295.20813	0.8
297.22092	1.5
307.20859	0.6
309.22211	0.9
309.25598	0.7
313.21805	0.8
321.22318	1.2
323.20178	0.9
323.23605	1.1
325.21732	1.1
325.25238	1.0
335.23782	1.7
337.21649	0.9
337.25323	1.6
339.23260	1.0
339.26862	1.3
349.25385	1.8
351.26810	2.1
353.24893	1.0
355.26456	0.8
363.26816	1.2
365.24667	0.8
365.28558	1.6
377.28345	1.4
379.30295	0.8
391.30057	1.3
393.27579	0.8
395.29376	0.6
409.31076	0.7
433.31046	0.9
447.32565	1.5
449.34164	0.8
461.33990	1.1
465.33347	0.9
499.39688	2.1
501.35675	0.7
517.40393	12.8
535.41467	8.7
541.38641	0.8
553.42450	0.7
555.41547	1.0
565.42505	0.8
573.43048	1.7
591.44086	15.0
609.45142	100.0
610.45856	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	609.2708
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
51.90753	0.4
52.97079	0.4
55.01860	0.5
55.05522	2.6
57.07060	0.6
59.27394	0.5
61.13269	0.4
64.07542	0.4
67.05516	4.2
69.07073	2.0
69.22995	3.5
69.23404	0.7
79.05493	3.6
81.07058	4.1
83.04996	0.6
83.08610	0.5
84.08120	0.4
89.06064	0.5
91.05473	3.1
93.07051	4.2
95.04987	0.9
95.08617	3.6
97.00690	0.5
97.06549	1.0
98.21448	1.0
102.94072	0.4
105.07015	3.2
107.08613	2.2
109.06527	0.5
109.10159	1.9
112.79807	0.4
117.07021	0.9
119.08597	2.1
121.10140	1.3
129.06976	1.0
131.08554	2.2
133.10135	2.3
135.11739	0.7
140.54456	0.4
141.06950	0.7
143.08611	1.4
145.10150	2.2
147.11713	0.9
149.13216	0.6
155.08543	0.7
157.10172	0.8
159.11713	1.7
169.10149	0.7
171.11719	1.5
173.13258	0.6
181.10220	0.5
183.11816	1.1
195.11761	1.0
197.13396	1.0
199.14821	0.6
209.10675	0.5
209.13231	0.6
211.14951	0.6
239.18039	0.5
257.19077	0.7
275.20047	2.8
302.16824	0.5
305.33615	0.5
310.13849	0.5
350.16473	0.5
387.16290	0.5
391.19025	1.3
392.20020	0.7
401.17584	0.7
402.18951	0.5
403.19269	1.9
404.20438	0.5
405.20963	2.4
406.21609	0.6
407.22562	1.0
415.19168	1.2
416.20227	0.9
417.16980	1.4
417.21545	0.8
419.23004	2.5
420.23303	0.5
429.16879	0.6
430.17642	1.3
431.17990	2.8
432.19327	1.5
433.20267	5.1
434.21002	0.6
435.21817	1.1
443.18704	1.5
444.19525	1.8
445.20099	3.5
446.21249	2.6
447.22150	4.8
448.22556	1.7
449.22906	0.5
458.20868	5.9
459.21793	4.1
460.22968	3.9
461.19360	0.9
463.21133	2.8
475.21246	1.0
476.22034	1.6
477.22910	1.2
489.19128	0.5
490.23541	0.7
491.22937	0.4
503.24539	0.8
505.22318	0.8
517.40228	1.0
518.23145	2.8
519.23932	9.8
521.23499	1.9
531.24164	1.2
532.24463	0.7
549.24811	4.1
591.26001	10.4
591.44128	1.2
609.27051	100.0
609.44952	10.0
610.27417	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	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03937	0.5
55.01874	0.4
55.05508	2.5
57.03442	0.6
57.07077	2.6
59.05001	2.0
59.12057	0.3
67.05509	4.4
69.03426	0.4
69.07075	2.2
69.49513	2.3
71.04988	0.4
71.08631	2.4
73.02908	0.3
78.23172	0.3
79.05499	4.3
81.07055	5.0
83.05002	0.5
83.08630	1.1
85.06539	0.8
85.10178	2.4
87.04468	0.7
89.06032	2.7
91.05482	3.7
93.07051	4.7
95.04969	0.8
95.08607	4.3
96.08926	0.6
97.06519	1.0
97.10182	0.5
97.55572	0.3
105.07045	3.7
107.05018	0.4
107.08604	3.2
108.08907	0.3
109.06528	0.5
109.10172	1.6
113.09620	0.4
113.71618	0.3
115.05468	0.4
117.07043	1.7
117.09126	0.4
119.08590	2.9
121.10121	1.7
123.08081	0.4
123.11710	0.3
125.09633	0.5
125.87080	0.3
128.06181	0.3
129.07024	1.4
131.08546	3.2
132.08914	0.6
133.08626	2.0
133.10144	2.3
135.08067	0.4
135.11705	1.1
141.07025	1.0
142.07845	0.4
143.08577	1.4
145.10136	3.0
147.08002	0.4
147.11729	1.1
149.09575	0.4
149.13255	0.6
155.08577	1.2
157.10170	1.2
159.11710	1.4
161.13217	0.5
163.11221	0.5
168.09024	0.6
169.10184	1.0
171.09367	0.3
171.11731	1.4
173.13310	1.1
177.11244	0.9
179.33672	0.3
181.10124	0.8
182.10617	0.4
183.11703	1.3
184.12166	0.7
185.13329	0.4
187.14857	0.4
194.10922	0.4
195.11761	0.8
197.13359	1.2
198.13628	0.3
199.14851	0.6
209.13301	0.4
211.14703	0.3
221.14111	0.4
239.15343	0.4
239.18001	0.4
257.19131	1.5
261.22336	0.5
275.20105	2.7
290.22073	0.4
293.21118	0.5
295.20490	0.4
331.22702	0.5
335.25967	0.6
389.17264	0.4
390.18610	0.4
391.19229	0.7
401.17761	0.4
403.19586	0.7
404.20236	0.5
405.20755	1.0
414.18454	0.6
415.19257	1.1
416.19733	0.5
417.21194	0.6
418.21887	0.5
419.18176	1.0
419.22614	1.1
420.19168	0.4
429.20901	2.7
430.21713	0.8
431.18066	0.6
432.19415	0.5
433.24908	2.4
434.21063	0.5
435.22086	0.4
443.22366	1.3
444.23676	2.0
445.19675	0.7
445.24390	1.0
447.17337	0.8
447.22125	1.5
449.24002	0.6
457.20419	0.8
458.25055	0.5
459.21335	4.4
460.22415	1.8
461.18954	1.1
461.23529	2.7
462.19806	2.2
463.21222	0.6
472.22720	2.3
473.23911	0.6
474.24799	0.5
475.20865	0.9
475.25931	0.4
476.22147	1.9
477.22839	2.0
485.23392	1.5
487.25021	4.2
489.23169	1.7
490.23892	0.6
491.20969	0.5
492.25507	0.4
493.26132	0.6
503.24686	2.1
504.24719	0.6
505.18921	0.5
505.26126	0.7
517.22345	0.5
517.40265	0.8
518.23590	0.5
519.24005	2.3
521.21326	2.7
523.51947	0.4
531.23932	21.8
532.24548	1.4
534.23096	0.5
549.24969	11.6
563.26477	1.0
591.25983	2.6
608.43860	2.0
609.27075	100.0
609.44690	9.9
610.27393	3.7
622.38690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2705
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.30008	0.4
51.47158	0.4
67.05503	0.6
69.51293	3.7
79.05482	0.8
81.07065	1.0
86.70495	0.5
93.07029	0.6
93.90400	0.5
94.93490	0.5
105.02468	0.5
145.10124	0.6
165.12169	0.5
178.01823	0.5
180.74669	0.6
198.22626	0.5
225.13936	0.6
228.21211	0.5
237.13887	0.6
371.47055	0.5
376.17297	0.6
377.17679	1.2
390.18924	0.7
391.19333	2.9
392.20151	1.7
400.17609	0.7
401.18280	0.8
403.19418	1.3
404.20419	1.0
405.20898	4.2
406.21536	2.5
407.22086	2.7
414.18466	0.7
415.19226	2.4
419.18167	0.9
419.22961	0.7
420.23349	1.2
421.23880	4.2
427.19269	0.8
429.20844	2.6
430.21640	2.1
431.22784	1.1
432.19638	1.0
433.20328	1.9
433.25156	1.0
434.20514	0.7
442.21704	1.0
443.22958	1.1
444.23120	1.6
446.21237	1.1
447.18277	2.1
449.23636	1.0
457.23907	2.4
459.21838	2.5
460.22632	2.2
461.19153	6.9
462.20184	2.4
463.21188	1.7
470.21082	0.6
472.22415	1.5
473.19409	0.8
474.20291	1.2
475.21051	7.2
476.21716	6.8
477.22388	4.5
479.24557	0.8
485.23691	8.1
486.20035	3.3
487.20538	0.6
487.25311	1.1
488.22125	0.8
489.22952	6.2
490.23312	0.6
497.23215	0.6
499.21228	2.3
500.21951	1.7
503.24292	5.3
504.25198	0.9
507.23804	1.1
513.22955	1.4
515.24554	7.3
521.25818	3.6
531.23938	16.8
533.25348	0.7
535.23328	0.8
541.22449	0.9
548.24908	0.8
549.24860	1.8
550.25891	3.7
559.23560	7.9
577.24506	1.9
591.26062	35.5
592.26221	1.3
609.27087	100.0
610.27094	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	609.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05495	1.1
57.03415	0.5
67.05508	2.0
69.07055	1.0
70.00291	1.1
75.88374	0.2
79.05492	2.0
81.07056	2.3
83.08627	0.4
85.06570	0.3
89.03647	0.3
91.05486	1.7
93.07047	1.5
95.08606	1.9
95.65783	0.2
105.07034	1.5
107.08617	0.8
109.10157	0.7
117.06998	0.5
119.08592	0.8
121.10131	0.6
125.53180	0.2
129.07043	0.8
131.08563	1.1
133.10138	0.6
135.11703	0.4
141.07050	0.2
142.07816	0.4
143.08571	0.8
145.10143	0.8
147.11610	0.4
149.09618	0.4
149.13191	0.3
155.08601	0.6
157.10179	0.6
159.11678	0.4
161.13242	0.3
167.08589	0.4
169.10133	1.0
171.11719	1.0
173.09509	0.3
179.08528	0.3
181.10136	0.6
183.11742	0.7
185.13243	0.3
195.11728	0.5
197.13330	0.6
199.14706	0.3
207.11769	0.3
209.11047	0.3
209.13272	0.6
211.14801	0.3
221.10954	0.3
221.13347	0.3
223.12260	0.3
223.14755	0.7
224.13155	0.4
225.13876	0.3
230.08913	0.3
235.12288	0.2
237.13788	0.3
238.14581	0.3
239.15538	0.3
239.17995	0.3
251.17831	0.4
251.20872	0.2
261.13983	0.4
265.19476	0.3
265.47247	0.2
275.20029	0.3
293.21042	0.3
363.16086	0.3
375.16888	0.5
376.16794	0.4
377.17728	1.2
387.16400	0.4
388.18307	0.4
389.18362	1.0
390.18872	1.0
391.19235	2.5
392.20081	1.8
393.20734	0.4
400.16959	0.4
401.17633	0.7
402.18884	0.4
403.19748	0.9
404.15976	0.3
404.20828	0.6
405.16568	0.4
405.20880	3.8
406.21524	2.1
407.22403	3.0
413.17786	0.5
414.18494	0.5
415.19418	1.9
416.20462	0.3
417.16779	0.5
418.17319	0.4
419.22983	1.4
420.23306	0.6
421.24066	3.4
422.24625	0.5
427.19125	0.6
429.20862	2.2
430.22089	1.3
431.18713	1.0
432.19504	0.8
433.16019	0.9
433.20370	1.8
434.24658	0.5
435.21838	0.5
441.21359	0.3
442.21436	0.6
443.22672	0.8
444.23248	0.9
445.20340	1.4
446.21295	0.7
447.18170	1.8
448.18536	0.7
449.23401	1.1
451.21466	0.6
452.21896	0.5
457.24371	1.6
459.22025	1.7
460.22577	1.4
461.19275	5.7
462.20441	2.3
463.21368	1.1
468.19147	0.3
470.21457	0.5
471.17581	0.3
472.22760	1.0
473.19968	0.9
474.20703	1.1
475.21106	7.8
476.21915	6.3
477.22470	4.8
478.23431	0.5
479.24411	0.7
485.23718	4.7
486.20096	2.7
487.20413	0.4
487.25317	0.8
488.21921	1.3
489.22833	5.6
490.20224	0.3
493.22321	1.0
493.26807	0.4
494.26785	0.4
497.23276	1.0
499.21405	3.5
500.22122	1.6
502.23654	0.6
503.24576	7.2
504.24219	1.1
505.22580	0.9
507.23880	0.9
513.22900	0.8
515.24420	5.9
517.22357	2.0
517.40631	0.8
518.22699	0.6
521.26105	2.8
531.23871	9.2
533.25177	0.5
535.23480	1.1
535.41577	0.5
548.24585	0.5
549.24878	2.0
550.25751	3.4
559.23340	5.0
563.26624	1.7
573.43335	0.4
577.24628	2.4
591.26044	13.5
591.44873	0.7
609.27063	100.0
609.44891	6.8
610.27435	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1818
Annotation	Diosmin 
Peak:m/z	Relative Intensity
53.03946	0.3
55.01881	0.3
55.05527	0.6
61.02933	0.3
61.67245	0.2
62.65773	0.2
67.05504	1.1
69.03440	1.5
69.06761	0.2
69.07076	1.2
70.06596	1.5
71.55922	0.4
72.08153	1.0
79.05527	0.9
81.03440	0.8
81.07063	2.2
83.05004	0.3
83.08637	0.4
84.04547	0.2
84.08170	0.6
85.02916	1.6
85.06557	1.3
86.09739	0.4
87.00880	0.5
87.04456	0.3
89.06042	0.5
89.89647	0.2
91.03998	0.3
91.05516	0.8
93.07052	1.2
95.04996	0.5
95.08620	1.6
97.02914	1.2
97.06544	0.4
99.04487	0.4
99.08118	0.4
103.05487	0.3
105.01944	0.3
105.07076	0.9
107.05002	0.2
107.08627	0.9
109.02923	0.6
109.06600	0.3
109.10183	1.3
111.08123	0.9
116.07114	0.3
119.04987	0.3
119.08632	0.8
120.08114	0.3
121.06586	0.3
121.10195	0.9
122.06046	0.2
123.00814	0.3
123.11707	0.5
125.02386	0.3
125.06067	0.2
125.09679	0.4
127.03909	1.1
128.06253	0.5
129.07014	0.4
131.08549	0.4
133.02940	0.2
133.08659	0.4
133.10170	0.7
134.03735	0.2
135.04430	0.4
135.11720	0.7
137.02379	0.9
137.06015	0.7
145.02879	0.9
145.04950	0.4
145.10112	0.3
147.04471	0.6
147.11728	0.4
148.05177	0.8
149.05948	0.3
151.00302	0.6
151.03918	0.4
151.11171	0.3
152.01086	0.8
153.01846	2.0
153.12767	0.2
154.99710	0.2
156.05733	0.6
161.13290	0.2
163.03865	0.6
163.14830	0.4
166.02710	0.6
167.03470	0.9
167.07243	0.2
169.01349	0.4
173.06050	0.3
174.06859	0.5
175.14836	0.3
177.05486	0.5
183.04443	0.4
184.05220	0.7
189.09160	0.4
189.16254	0.2
193.12238	0.4
195.04417	0.4
199.07742	0.2
201.05513	0.6
201.09204	0.3
203.10822	0.2
211.16888	0.2
212.04733	2.3
219.10193	2.4
223.03874	0.2
226.06303	0.5
227.07089	0.6
229.05025	0.7
240.04189	3.5
243.06567	0.8
244.07301	1.0
251.03569	0.2
255.06512	2.2
256.96112	0.3
257.04437	1.2
259.09711	0.6
267.02902	0.6
268.03644	3.1
269.04245	0.2
272.06821	0.9
283.05957	1.4
285.03973	2.3
285.07596	3.2
285.97192	0.2
289.25302	0.5
299.05557	0.6
300.06293	31.9
301.06625	0.5
303.04993	2.2
307.26270	0.9
313.07196	0.3
315.08621	100.0
316.08951	1.8
325.27429	1.6
433.24237	0.3
447.13031	0.7
477.13876	0.5
591.25031	0.3
609.25848	0.4
639.96179	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	608.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	0.6
64.78752	0.4
69.03431	1.1
70.06586	2.8
70.60801	0.8
70.61142	1.3
71.15340	0.6
72.08157	1.0
73.02902	0.9
73.06573	2.5
79.05490	0.8
81.03432	0.6
81.07064	1.0
84.08142	1.1
85.02905	1.7
86.09721	0.5
87.04478	13.5
89.06040	100.0
90.06351	0.5
91.05505	1.5
91.07576	0.5
93.07056	1.0
95.08595	1.1
96.56760	0.5
97.02901	3.6
105.01894	0.5
105.07044	0.9
107.07100	1.8
107.08601	0.7
109.02888	0.7
109.10196	0.8
117.09143	1.7
119.08633	1.1
121.10140	0.7
127.03954	1.4
128.07108	0.6
130.08675	0.7
131.07047	4.7
131.08554	0.8
133.08614	62.5
137.06004	0.6
143.08597	0.5
145.05000	0.8
145.10191	0.7
147.11673	1.3
149.15128	0.5
151.09647	0.7
161.11781	0.5
163.03966	0.6
173.13309	2.0
175.09697	2.2
175.14954	0.6
177.11246	21.0
181.08702	0.7
191.14403	0.9
219.12378	0.6
220.06001	0.8
221.13826	4.1
223.15414	0.6
239.14722	0.6
240.04413	0.7
265.16577	0.9
283.17560	1.5
285.07620	6.6
296.65588	0.6
300.06314	2.7
309.19296	0.6
315.08600	6.0
327.20145	0.7
353.21710	0.6
447.13162	0.7
547.33246	0.7
591.35968	4.1
608.25433	0.9
608.38483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1815
Annotation	Diosmin 
Peak:m/z	Relative Intensity
53.08174	0.1
55.05495	0.1
57.03439	0.7
67.05471	0.1
69.03391	0.1
69.44929	0.7
70.06583	0.2
71.04993	3.8
72.08128	0.2
74.64117	0.1
75.04445	0.2
79.05448	0.1
81.07050	0.2
83.04984	0.2
85.02904	4.5
91.05445	0.2
93.07046	0.1
95.08585	0.1
97.02902	0.7
98.03234	0.2
105.07009	0.2
107.08538	0.2
109.02811	0.1
109.10119	0.2
111.04436	0.2
120.08060	0.1
127.03891	0.1
129.05475	0.8
133.10121	0.4
134.10454	0.1
135.08020	0.1
145.04814	0.1
147.06462	0.1
147.11588	0.2
149.05919	0.2
153.01778	0.6
171.02853	0.2
175.14777	0.1
175.45767	0.1
204.60875	0.1
219.10231	0.1
229.04813	0.2
255.06212	0.1
257.04568	0.1
258.05234	9.5
259.05777	0.2
286.04715	32.7
287.05115	0.7
301.07050	100.0
302.07394	2.0
315.08301	0.1
315.13470	0.2
374.99316	0.1
432.61496	0.1
457.75687	0.1
463.12341	15.0
464.12628	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	608.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86594	0.7
55.01891	0.7
55.05513	3.8
55.05762	0.7
57.07066	1.9
59.05016	0.8
63.07322	0.7
65.89291	0.7
67.05505	6.5
69.03425	1.9
69.05806	2.1
69.07053	6.6
70.06603	10.0
70.23175	3.2
71.04990	1.1
72.08147	2.6
79.05492	2.4
81.03410	2.2
81.07054	5.7
83.04974	1.2
83.08620	1.6
84.08149	1.0
85.02896	3.5
85.06526	2.0
86.09716	8.9
89.06064	0.9
91.05516	5.2
93.07037	5.1
95.04981	1.5
95.08043	1.6
95.08609	16.8
97.02899	19.3
97.06525	1.0
103.05432	1.0
105.07037	11.4
106.02932	1.1
107.08599	8.0
109.02869	1.4
109.06501	1.4
109.10162	21.3
115.05460	1.2
116.07069	1.3
117.07040	1.9
119.04986	1.1
119.08586	38.3
120.08128	8.0
121.06530	0.9
121.10145	4.4
123.04308	0.8
123.11716	1.0
124.03940	2.3
127.03915	2.5
130.80873	1.0
131.08536	2.7
133.10135	53.9
135.08064	2.6
135.11694	8.7
137.09622	8.5
145.02881	0.9
145.04912	1.0
145.10117	3.4
147.04385	2.3
147.11684	11.5
149.13235	3.4
151.14792	4.5
157.10156	1.0
159.11519	1.0
160.12505	1.8
161.05991	1.6
167.07277	0.9
173.13275	3.7
174.09105	1.5
175.14833	100.0
176.15157	1.6
191.11795	1.2
191.14305	2.1
193.15891	27.4
203.07039	3.5
220.06070	2.9
220.09721	6.0
225.05516	1.5
226.05817	1.9
232.09642	1.5
249.12384	4.8
254.05258	1.3
258.05200	2.5
283.05981	3.8
284.06583	5.4
286.04767	7.1
301.07071	22.9
335.75906	0.9
362.20581	4.1
390.20190	18.3
400.12527	2.0
463.12158	2.2
481.87997	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2914
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
65.82838	0.3
68.99548	0.3
87.45688	0.3
229.33934	0.4
275.60657	0.4
387.16473	0.6
389.17694	0.6
401.17462	0.4
402.18552	0.4
403.19315	1.5
404.20193	0.6
405.20715	1.2
416.20532	0.5
417.21252	2.2
418.21902	0.7
419.22443	1.7
430.17523	0.6
431.18283	5.1
432.19434	1.0
433.24115	5.6
434.24591	0.9
445.19849	5.2
446.20596	2.8
447.21698	3.8
459.21448	3.0
460.22531	9.7
461.23471	11.3
473.23718	2.3
474.24042	0.8
487.24820	1.4
488.26245	0.4
491.24576	1.0
492.25201	0.7
504.25229	0.4
505.21524	2.7
506.26758	0.5
515.24780	0.5
518.23315	0.6
519.24243	2.3
532.24774	0.5
533.25696	0.5
547.27069	27.5
563.22675	0.5
575.26367	0.9
579.29211	0.8
607.29169	100.0
608.29333	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	608.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99885	0.8
69.54592	2.4
77.00891	0.5
91.05494	4.3
94.04173	1.6
95.04961	1.0
107.04956	1.4
109.06501	1.0
113.59078	0.4
119.04957	4.0
121.06486	1.5
123.04423	3.0
132.08057	0.5
134.05966	0.6
135.06831	3.4
143.00699	1.3
144.05042	1.5
147.04430	1.9
150.09148	84.2
151.09473	0.8
153.03969	0.7
156.05038	0.8
161.01706	4.7
165.03978	3.6
165.05496	2.3
167.05519	0.8
178.04750	0.5
179.05605	1.1
181.03441	2.3
182.03078	0.9
183.05008	2.9
185.06604	0.9
190.07123	4.8
191.25092	0.4
193.03557	0.9
194.06699	0.6
195.05060	0.8
196.09720	7.1
196.77963	0.5
197.06598	0.8
200.04034	0.9
200.05620	0.9
204.04961	0.4
205.03497	0.8
206.06577	0.5
207.01454	0.9
207.05069	0.7
208.08212	5.8
209.08563	0.4
210.09807	0.7
211.04477	0.6
218.06635	6.1
219.07433	1.0
222.06126	1.2
223.04636	1.3
224.07771	0.4
225.05995	0.5
229.05638	0.6
232.04526	0.7
234.06180	2.0
236.07695	42.6
237.08179	1.9
241.05513	0.5
245.07828	2.3
247.06941	1.7
247.09293	0.9
248.07533	0.6
249.08430	0.7
249.10838	0.8
250.05646	1.9
250.09280	0.7
251.06459	1.8
254.08748	26.2
259.09387	1.6
260.10110	1.3
261.10760	1.2
263.06415	2.8
268.06744	3.6
272.09802	11.8
276.09589	1.7
277.10403	0.5
288.09464	0.8
289.10141	1.0
291.08282	2.4
292.09183	2.5
293.07355	1.5
294.07919	0.7
305.09735	2.6
306.10498	2.4
307.11337	3.1
309.09363	2.7
320.08432	2.2
323.11005	1.1
324.11072	1.4
325.08905	0.6
325.12457	1.5
336.10770	2.0
338.09399	15.7
339.09879	0.8
349.13989	5.4
354.12070	1.3
356.00140	0.5
356.13431	0.9
364.10504	0.6
367.15094	2.8
372.12839	0.7
377.13550	1.4
382.11508	1.6
385.16083	2.0
395.14587	9.4
400.12488	2.4
413.15567	52.6
414.15903	2.0
431.16653	100.0
432.17017	3.7
445.17825	0.7
449.17627	1.2
454.18369	2.5
608.23853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2916
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
64.14944	0.5
69.52702	4.0
74.90745	0.5
115.08768	0.6
140.80246	0.5
187.61058	0.6
387.16531	0.7
388.16684	0.7
389.17783	1.6
401.17984	0.8
402.18445	0.9
403.19165	3.7
404.20160	1.2
405.20999	1.7
415.19662	1.0
416.20294	1.1
417.16382	1.1
417.21402	4.7
418.21515	3.8
419.22644	4.1
430.17700	0.9
430.22729	0.7
431.18100	8.5
432.18866	1.0
432.23819	1.1
433.24097	10.7
434.24670	1.6
445.19803	10.5
446.20731	4.9
447.21622	4.1
455.24927	0.6
459.21478	4.8
460.22571	15.6
461.23410	18.1
473.23566	3.3
474.24185	2.3
477.22742	0.8
487.25165	2.3
505.21979	4.5
506.26813	1.3
515.24213	1.0
518.23413	0.8
519.27130	2.8
532.24744	2.2
547.27081	58.3
548.27338	2.1
575.26611	1.2
579.30145	0.8
607.29187	100.0
608.29852	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.255
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.94996	0.4
63.03576	0.3
66.75449	0.4
71.20824	0.4
71.21165	0.6
83.44521	0.3
105.79247	0.4
192.22737	0.4
218.95949	0.4
223.12592	0.4
373.14767	0.4
374.15448	0.4
375.16077	0.6
387.16257	0.8
388.16891	1.1
389.17590	2.7
390.18835	1.0
391.19305	0.9
401.17804	0.6
402.18604	1.5
403.14792	0.7
403.19571	4.1
404.19995	1.4
405.20837	3.4
407.22968	0.5
415.15152	0.5
416.15839	0.8
417.16269	3.8
417.21423	1.4
418.22021	0.6
419.22537	5.9
420.23224	0.9
427.18991	0.5
429.17093	0.6
430.17435	0.9
431.18390	6.8
432.19116	3.1
433.20227	3.6
441.16940	0.5
443.19141	0.4
445.20163	5.5
446.21042	8.1
447.21771	9.3
448.22681	0.6
459.17343	0.9
459.22229	1.2
460.18506	0.8
461.19785	2.2
463.25598	0.8
473.19232	1.0
474.20322	5.2
475.21118	4.8
477.22983	0.7
478.23761	0.7
487.21393	1.5
488.22238	0.5
490.23917	0.8
491.19946	2.5
501.23013	0.7
504.21924	0.5
505.22488	0.6
519.24103	14.3
547.23425	12.7
548.23364	0.7
551.26678	0.6
579.25940	5.0
607.25531	100.0
608.25854	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	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.05513	0.4
66.58749	0.4
67.05505	1.6
71.55595	0.6
72.08155	0.5
79.05471	0.6
81.07069	1.2
91.05495	1.3
93.07063	0.6
95.08600	0.5
97.10161	0.4
105.07046	0.7
107.46807	0.4
109.10165	0.5
112.76604	0.4
117.07007	0.5
119.08633	0.6
131.08643	0.6
133.10249	0.4
143.08481	0.4
151.41283	0.4
331.12662	0.5
375.16089	1.1
388.17004	1.0
389.17587	2.5
390.18460	1.6
391.19302	1.3
401.18179	0.8
402.14038	0.5
402.18729	0.7
403.14749	0.9
403.19513	4.3
404.20178	2.5
405.20938	2.8
416.15799	0.8
417.17096	3.5
417.21057	2.6
418.17444	1.1
418.22275	0.7
419.22476	5.3
420.23279	0.8
429.16913	0.9
430.18060	1.2
431.18399	8.5
432.19226	3.3
433.20074	3.6
435.73737	0.5
443.19003	0.5
444.19971	0.5
445.20309	5.4
445.29578	0.6
446.21078	7.6
447.21744	8.4
448.22742	0.9
459.17163	0.8
459.22119	1.6
460.18216	0.6
461.19727	1.5
462.24637	0.6
463.25143	0.6
473.24210	0.6
474.20380	4.8
475.20816	4.8
476.22076	0.6
477.23328	0.9
478.23904	1.1
487.21521	1.7
488.22189	0.5
490.24069	0.5
491.20001	3.0
505.22183	0.8
519.24078	15.3
520.24707	0.5
534.05566	0.4
547.23419	11.9
548.23779	0.6
551.26660	0.4
572.75421	0.5
579.26147	5.4
607.25549	100.0
608.25800	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	607.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.1
54.89609	0.6
55.01815	1.1
55.05440	2.4
57.07013	1.0
67.05424	5.6
69.06986	3.2
69.26365	1.3
69.26781	4.4
71.08573	0.9
79.05404	4.7
81.03368	0.8
81.06973	7.4
83.04906	0.8
83.08562	0.7
91.05485	9.2
93.07051	4.9
94.45567	0.6
95.01254	0.8
95.04877	2.0
95.08623	3.9
97.06462	1.2
105.07039	9.1
107.04865	1.6
107.08485	2.2
107.09117	0.6
109.06451	1.1
109.10092	1.1
117.06932	2.4
119.08600	5.0
121.10092	1.2
123.05452	1.1
129.06985	1.1
131.08604	3.9
133.10156	5.7
135.11610	1.7
137.09622	0.7
143.08441	0.9
145.10016	2.4
147.11697	2.8
149.09569	1.0
149.13194	0.7
155.08530	1.0
157.10089	1.3
159.11617	2.3
161.13165	1.1
163.11180	0.7
168.68497	0.6
169.10075	0.8
171.11578	1.1
173.13164	1.6
177.12550	0.7
179.14241	1.3
181.10005	0.7
183.11729	0.8
185.13211	1.0
195.11710	0.8
209.13242	0.9
219.17325	1.5
241.19348	0.9
259.20535	1.1
275.20059	5.5
315.23209	1.0
349.23627	0.9
373.14490	0.6
374.15146	0.7
375.16129	1.4
387.16599	1.1
388.16983	1.4
389.17538	3.6
390.18256	1.4
401.17807	1.1
402.14084	1.0
402.18658	1.7
403.19357	8.2
404.20105	2.8
405.15787	0.7
405.20554	2.9
416.15768	1.2
416.20508	1.0
417.16205	4.0
417.21063	2.2
418.21497	2.1
419.22513	8.8
420.23013	1.0
430.17599	1.2
431.18274	9.6
431.24142	0.9
432.18777	2.8
433.20078	2.3
444.19745	0.7
445.20050	6.2
446.21063	8.4
447.21750	12.4
448.22556	1.0
459.18051	2.8
459.22687	1.1
460.22986	0.7
461.19809	1.2
463.25162	1.3
473.19781	1.8
474.20486	13.1
475.21182	13.3
477.23233	0.9
487.21506	3.5
488.21915	0.7
490.23505	1.9
491.20758	2.3
501.23096	2.0
502.23386	0.7
503.23221	0.6
505.22333	0.8
519.24097	13.7
532.20758	0.9
547.23431	78.4
548.23438	2.8
561.25000	1.2
579.25995	5.1
589.24615	1.5
607.25543	100.0
607.43475	8.0
608.25891	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	605.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23384	0.6
55.05505	1.3
67.05504	2.5
68.13090	0.6
69.07066	1.2
69.62370	1.9
69.62778	2.0
71.08628	1.1
79.05500	1.5
81.07060	2.2
83.08643	0.6
84.47946	0.6
91.05433	0.8
93.07043	1.6
95.08622	1.7
98.20779	1.2
105.07040	1.0
107.08611	1.1
109.10187	0.8
145.10126	0.6
275.20105	1.1
313.27499	0.8
413.18011	1.2
414.18359	2.0
415.19211	3.6
416.20142	1.7
428.20187	2.1
429.20752	9.3
430.21603	4.8
431.22430	1.0
443.22849	4.4
444.23486	6.4
445.24448	3.9
448.26276	0.9
457.19531	0.9
457.24478	1.0
458.25720	2.8
459.21445	2.1
459.25885	2.4
472.22498	4.2
473.23337	6.5
474.24191	2.4
476.22003	0.8
485.23584	4.5
486.24121	2.1
487.24976	24.2
488.25394	1.7
503.24384	2.4
517.26434	3.5
545.25482	17.4
546.25934	3.6
573.25012	1.8
577.27728	0.7
605.27594	100.0
606.27771	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	605.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01873	2.8
55.05509	0.6
57.03425	2.5
61.02923	1.8
65.03936	1.4
67.05488	0.9
68.99787	1.1
69.03432	13.6
69.07063	1.0
71.01350	0.5
71.04990	1.6
71.10464	0.8
73.02916	2.9
79.05494	2.8
81.03419	13.3
81.07046	0.5
83.01338	0.6
85.02909	20.2
87.00830	8.1
87.04430	0.6
91.03967	1.0
91.05485	4.8
93.07040	0.9
94.31586	0.5
95.04955	1.4
95.08636	0.5
97.02898	6.9
99.04462	4.8
103.03932	1.0
105.01858	4.7
105.07034	2.3
107.04970	2.1
109.02881	10.5
110.03733	0.5
115.03896	0.8
115.05492	1.5
117.01836	0.8
117.07002	1.3
119.04951	3.7
119.08557	1.0
121.06503	1.6
121.10165	0.6
123.04428	1.7
125.06021	0.9
127.03925	16.5
129.01822	1.3
129.07016	0.8
131.08527	1.0
133.06499	1.8
135.04420	31.3
137.05992	3.2
138.03136	6.4
141.06940	0.9
145.04964	4.2
145.06427	0.9
147.03017	1.2
147.04408	12.7
149.05969	2.2
149.22484	0.5
151.33356	0.5
153.05472	100.0
154.05833	1.1
157.06425	0.5
159.02904	5.0
159.04440	3.3
159.08069	0.8
161.05994	4.5
163.03891	0.7
165.05502	3.3
167.07065	7.0
173.05963	2.3
175.03935	1.6
175.07526	0.6
177.05469	9.9
177.06886	0.9
179.07054	4.8
185.05913	0.9
187.07584	2.7
189.05550	0.8
191.07054	0.9
191.10675	21.1
195.06584	0.8
197.05959	0.8
201.05484	5.0
213.03925	0.8
215.07057	2.1
215.10622	1.2
217.12277	1.0
227.07074	0.8
231.04941	2.3
233.11824	2.3
239.07207	0.5
243.06548	14.0
257.08084	1.9
257.11728	1.1
257.64917	0.6
268.32657	0.5
301.10703	14.7
313.10654	0.8
325.10739	9.0
329.06451	0.7
343.11752	12.7
347.07535	2.1
349.86298	0.6
355.15335	0.8
357.16946	9.4
365.08850	1.0
367.11801	9.4
368.12042	0.7
369.17014	1.3
391.11633	0.8
399.18091	3.7
403.14072	0.6
409.12796	11.8
421.14926	0.5
427.13504	0.8
447.18289	0.7
465.18945	0.8
491.05228	0.6
495.13098	1.1
513.13947	16.2
531.14966	7.2
569.20044	1.5
609.27057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01865	2.6
55.05501	0.8
57.03430	1.8
61.02914	0.9
61.08119	0.6
62.27905	0.8
65.03934	1.6
65.78679	0.6
66.08841	0.6
67.05497	2.3
68.99806	0.9
69.03434	9.8
69.07088	1.6
70.06582	1.2
71.01689	1.3
71.04987	1.6
72.08149	0.7
73.02921	1.0
79.05495	4.7
81.03427	9.5
81.07054	1.8
83.04968	1.0
85.02909	14.6
85.49672	0.6
87.00847	4.8
91.05494	5.9
93.07040	2.7
95.04974	2.4
95.08592	2.0
97.02911	5.9
99.04456	2.7
103.05436	1.3
105.01865	2.8
105.07030	3.7
107.04949	2.4
107.08586	1.4
109.02893	6.7
109.06546	1.0
109.10154	1.9
109.70561	0.7
110.93817	0.5
111.04411	0.8
115.05447	1.4
117.07032	1.7
119.04961	3.4
119.05731	0.7
119.08610	2.4
121.06535	2.0
121.10106	1.0
123.04421	1.0
123.08108	0.7
125.06023	1.9
127.03925	10.1
129.01851	1.8
129.06975	0.7
131.04956	1.6
131.08588	1.3
133.06529	1.6
133.10121	0.9
135.04427	34.9
137.06006	3.2
138.03140	6.0
143.04893	1.1
143.08517	0.8
145.04958	2.2
145.06474	0.7
145.26869	0.7
147.04427	12.9
149.05992	2.2
149.13251	1.0
151.36861	0.7
153.05479	100.0
155.08488	0.9
157.10051	0.7
159.02888	3.8
159.04440	3.4
159.08119	1.0
161.05998	6.1
163.03882	1.5
165.05524	4.1
165.09108	2.0
167.07068	10.2
169.06464	0.8
173.06027	2.7
173.09642	1.1
175.03954	3.1
177.05492	11.5
179.07034	7.8
185.06055	1.4
187.07561	2.7
189.05482	1.3
191.07043	1.4
191.10690	19.0
191.12335	1.4
197.05998	1.1
201.05487	6.0
203.07144	1.0
203.10770	0.8
215.07056	1.9
215.10651	0.8
217.12314	1.3
227.07008	1.6
231.04869	1.3
233.11755	3.2
243.06552	15.1
257.08044	2.1
261.07608	1.0
269.08237	0.8
301.10709	17.7
301.14142	1.1
313.10617	1.0
325.10699	8.4
343.11752	11.3
347.07678	2.2
357.17017	10.3
365.08768	0.9
365.79871	0.7
367.11810	11.8
369.16977	1.1
391.11450	1.5
399.18109	2.5
409.12854	12.5
452.62064	0.7
465.18851	1.0
485.14816	1.0
495.13092	1.4
513.13947	16.6
531.15045	6.4
569.20056	3.0
605.31787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22020	0.9
53.03936	2.5
55.01867	2.7
57.03429	1.3
61.02919	1.0
65.03931	1.2
68.99763	1.5
69.03431	6.3
69.07058	1.6
69.30656	1.6
69.31067	6.4
71.04992	1.3
73.02905	1.5
79.05497	2.9
81.03431	7.2
81.07050	1.1
84.70621	0.8
85.02913	12.4
87.00849	5.0
88.66698	0.8
90.35011	0.7
91.05472	2.8
95.04946	1.2
97.02905	4.7
99.04449	2.2
105.01881	2.6
105.07014	1.9
107.04955	1.4
109.02882	4.9
113.15597	0.7
125.05989	2.1
127.03958	7.5
129.01791	1.0
133.06482	2.0
135.04428	2.4
137.05965	1.6
138.03136	6.3
145.04961	3.0
145.06503	0.9
147.04430	4.1
149.05997	3.0
153.05479	100.0
154.05847	1.2
159.02895	3.7
160.42554	0.8
161.06004	4.7
170.53468	0.8
171.08316	0.9
173.06010	1.7
173.09726	1.0
177.05389	1.9
179.07103	4.9
191.07083	1.0
191.10701	19.5
199.07503	1.2
203.10663	1.0
215.06981	1.1
215.10686	3.4
227.07013	1.3
233.11688	1.9
243.06496	1.7
257.08112	2.3
257.11707	2.5
269.08148	0.8
299.12790	2.5
301.10748	8.7
313.10968	0.9
325.10776	3.0
343.11789	10.4
357.17163	4.8
367.11816	10.3
403.13876	1.8
409.12851	14.4
421.15115	1.3
427.14206	0.9
513.13904	10.9
531.14807	4.8
617.01776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	13.2
55.01895	5.7
55.05513	24.5
57.03448	8.2
57.07081	4.2
65.03961	6.1
67.05507	79.9
69.03437	42.1
69.07080	25.9
71.01357	4.1
71.05040	5.0
71.55545	5.6
79.05500	65.5
81.03426	65.2
81.07063	79.8
81.07518	5.1
83.05008	11.2
83.08643	10.8
85.02921	26.0
91.05482	66.8
93.07048	72.7
93.07623	4.4
95.04989	11.0
95.08610	59.1
97.02896	28.8
97.06547	5.7
97.10200	8.7
99.04491	8.1
99.08071	4.1
103.03945	4.1
103.07069	3.6
105.07033	46.8
107.04980	5.2
107.08589	39.5
109.02927	14.6
109.06554	7.2
109.10159	29.7
111.04467	11.5
111.08135	3.5
113.63028	3.7
115.05476	6.5
117.07001	29.1
119.04929	23.1
119.08581	36.4
119.09245	3.4
119.56894	4.0
121.06551	6.3
121.10152	34.8
123.04469	3.4
123.08075	6.3
123.11761	8.8
125.09646	4.8
127.03936	9.7
128.06261	4.1
129.05428	3.4
129.07018	18.2
131.08594	37.6
133.10120	28.1
135.11679	23.7
137.09673	3.6
137.13190	5.7
141.07019	6.0
143.08636	12.3
145.10144	26.2
147.04422	100.0
147.05513	6.4
147.08139	8.5
147.11671	22.9
149.09578	6.3
149.13319	15.8
155.08595	10.2
157.06461	4.1
157.10182	12.1
159.08070	7.0
159.11754	23.5
161.09647	5.4
161.13258	17.3
163.14772	8.2
167.08752	4.5
169.10184	9.1
171.08138	6.7
171.11757	9.9
173.13261	18.0
175.11278	8.1
175.14897	5.4
181.10124	5.0
182.66306	3.6
183.11658	8.5
185.09599	4.1
185.13297	10.0
187.11214	5.3
187.14879	7.9
189.12761	3.8
197.13261	3.6
199.14746	3.8
203.10582	4.1
203.14478	5.3
209.13535	4.9
213.16269	5.6
243.21129	8.5
252.16054	5.7
259.20721	5.9
261.22162	17.9
273.22366	7.2
277.21729	7.3
289.21512	5.2
291.23215	7.1
292.32730	4.1
296.03925	3.9
301.21860	4.3
303.23285	8.9
315.23242	9.0
327.23267	7.1
341.24838	8.3
345.24387	4.4
351.23032	6.0
359.26144	4.5
369.24237	24.8
387.25421	20.9
405.26245	23.1
423.27615	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	603.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.1
55.01870	4.2
55.05510	32.5
57.03457	3.8
57.07077	4.8
58.75408	3.6
63.54894	3.4
67.05509	70.9
69.03434	7.2
69.07082	28.7
71.05017	5.5
71.55567	9.3
79.05502	44.3
81.03413	9.5
81.07060	71.6
83.04993	8.2
83.08627	17.1
91.05477	54.7
92.57971	3.9
93.07058	54.9
95.04982	12.4
95.08604	44.3
97.06560	10.1
103.05475	4.8
105.07040	61.6
107.04984	7.1
107.08604	42.7
109.06516	11.4
109.10165	26.3
111.08086	4.5
116.65186	4.0
117.07031	17.9
118.72540	3.9
119.08582	47.6
121.06519	10.3
121.10154	15.0
123.07977	8.1
123.11712	8.8
125.09629	4.9
129.07007	6.4
129.65112	3.4
131.08583	25.6
133.10136	49.4
135.08017	5.2
135.11694	15.1
137.09627	7.1
139.43793	4.4
143.08647	6.2
145.10124	27.0
147.11702	24.6
149.09648	10.4
149.13283	14.6
153.05450	5.8
155.08562	5.7
155.26443	4.0
157.10168	11.5
159.11722	17.2
161.13260	11.9
163.11232	8.6
165.09129	4.4
169.10214	4.4
171.11740	8.0
173.13292	10.0
179.08546	4.2
179.14297	4.2
183.11751	7.2
187.14964	4.2
189.09189	4.5
189.16411	4.4
195.13817	6.2
197.13225	8.4
197.51070	4.0
239.17984	6.2
239.71590	4.7
257.19073	8.8
265.21713	4.1
275.20065	100.0
276.20514	3.9
277.21494	5.5
291.19699	4.7
293.21207	13.4
334.08139	4.3
355.15524	5.8
391.28333	4.7
393.92752	4.0
431.19000	58.8
603.42126	5.1
627.47961	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	603.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78282	3.1
53.03941	3.5
55.01884	22.5
55.05267	5.0
55.05515	69.5
57.03445	3.9
57.07069	4.7
59.05009	4.3
65.03926	3.7
67.05176	7.0
67.05509	100.0
69.03424	9.5
69.07074	59.4
70.06576	5.2
71.04995	8.0
71.55544	3.7
72.08163	4.4
78.00912	3.0
79.05064	5.4
79.05496	75.6
81.03410	11.7
81.07062	76.8
83.04982	11.1
83.08622	39.5
85.02924	4.8
85.06551	4.7
89.06028	3.4
91.05487	68.1
93.07043	65.4
95.04449	3.3
95.04964	22.1
95.08045	5.8
95.08609	61.5
97.06513	24.2
97.09621	4.2
97.10181	41.9
97.11986	3.6
103.05483	4.9
105.07038	67.6
107.04958	11.9
107.08599	60.6
109.06536	13.0
109.10150	45.1
111.08073	7.6
115.05509	4.9
117.07033	29.1
119.08585	58.1
121.06535	5.8
121.10156	34.4
122.59361	3.9
123.08057	10.2
123.11699	10.1
125.09661	33.7
127.03937	4.3
128.06219	5.3
129.07001	18.0
131.08554	40.2
133.06497	7.4
133.10146	43.8
135.08061	10.1
135.11671	19.6
137.09605	12.9
139.11176	4.9
141.06999	5.7
142.07744	4.2
143.08569	20.5
145.06473	8.0
145.10109	35.3
147.04375	3.4
147.08035	7.3
147.11717	24.8
149.09618	17.5
149.13264	8.4
151.11269	3.7
153.05466	11.6
153.09106	4.3
155.08530	6.8
157.10178	19.6
159.11713	21.4
161.09608	7.9
161.13251	12.8
163.11172	8.7
163.14796	4.0
169.10170	11.3
171.08044	6.1
171.11700	12.6
173.11787	8.3
173.13266	11.9
175.11186	7.3
177.12785	7.9
179.08591	3.4
183.11684	10.2
185.13278	10.9
187.14853	4.2
189.09184	4.1
189.11197	20.9
189.12685	4.6
197.13222	9.4
199.14859	8.9
201.12656	3.9
201.16394	4.3
209.13464	4.8
223.13010	4.9
227.17932	3.2
229.19449	4.4
239.17949	5.6
256.29688	4.1
257.18976	14.3
275.20074	83.8
277.21747	8.2
287.20139	3.6
291.19571	21.3
293.21078	12.0
297.89438	3.5
301.21750	7.9
313.21634	4.1
319.22842	8.3
331.22668	3.6
343.22623	4.6
375.25055	4.1
381.27872	5.3
397.31009	4.6
399.28894	11.9
431.19034	25.4
455.31583	5.3
457.33377	5.3
465.31348	3.9
469.33276	6.9
473.32419	8.3
487.34299	3.7
549.39142	9.5
567.40643	16.1
567.93280	3.9
585.41644	19.3
603.42371	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	603.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.1
55.01870	4.2
55.05510	32.5
57.03457	3.8
57.07077	4.8
58.75408	3.6
63.54894	3.4
67.05509	70.9
69.03434	7.2
69.07082	28.7
71.05017	5.5
71.55567	9.3
79.05502	44.3
81.03413	9.5
81.07060	71.6
83.04993	8.2
83.08627	17.1
91.05477	54.7
92.57971	3.9
93.07058	54.9
95.04982	12.4
95.08604	44.3
97.06560	10.1
103.05475	4.8
105.07040	61.6
107.04984	7.1
107.08604	42.7
109.06516	11.4
109.10165	26.3
111.08086	4.5
116.65186	4.0
117.07031	17.9
118.72540	3.9
119.08582	47.6
121.06519	10.3
121.10154	15.0
123.07977	8.1
123.11712	8.8
125.09629	4.9
129.07007	6.4
129.65112	3.4
131.08583	25.6
133.10136	49.4
135.08017	5.2
135.11694	15.1
137.09627	7.1
139.43793	4.4
143.08647	6.2
145.10124	27.0
147.11702	24.6
149.09648	10.4
149.13283	14.6
153.05450	5.8
155.08562	5.7
155.26443	4.0
157.10168	11.5
159.11722	17.2
161.13260	11.9
163.11232	8.6
165.09129	4.4
169.10214	4.4
171.11740	8.0
173.13292	10.0
179.08546	4.2
179.14297	4.2
183.11751	7.2
187.14964	4.2
189.09189	4.5
189.16411	4.4
195.13817	6.2
197.13225	8.4
197.51070	4.0
239.17984	6.2
239.71590	4.7
257.19073	8.8
265.21713	4.1
275.20065	100.0
276.20514	3.9
277.21494	5.5
291.19699	4.7
293.21207	13.4
334.08139	4.3
355.15524	5.8
391.28333	4.7
393.92752	4.0
431.19000	58.8
603.42126	5.1
627.47961	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	603.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01857	1.4
55.05509	0.6
56.22129	0.4
57.03426	1.1
60.68644	0.4
61.02924	1.0
65.02048	0.4
67.05490	1.2
68.99767	0.8
69.03078	0.6
69.03431	9.0
69.07072	44.5
69.08774	0.5
70.04063	1.6
70.06586	0.5
70.61836	1.1
70.62189	0.6
71.04989	1.5
73.02914	1.1
79.05486	0.6
81.02982	0.7
81.03420	7.6
81.07040	2.0
83.04944	0.5
85.02909	18.8
85.06524	0.5
87.00830	5.3
91.05480	1.0
93.07062	0.8
95.04774	0.4
95.08607	1.1
97.02901	6.3
99.04474	4.1
103.03957	0.5
105.01878	4.0
105.06995	0.6
107.08570	0.8
109.02222	0.7
109.02893	7.7
109.10086	0.5
117.01869	0.6
119.08553	0.9
121.10178	0.9
127.03925	15.0
129.01923	1.0
135.11687	0.6
138.03108	0.6
145.04961	3.4
147.02832	0.8
147.04379	1.5
153.05479	5.3
159.02876	3.7
159.96387	0.5
165.07045	1.0
167.08572	0.6
177.16441	0.6
179.07079	0.5
180.05614	0.8
181.06549	1.2
189.09123	1.8
195.08049	4.4
196.05133	0.6
197.06001	0.6
198.06787	2.4
203.26424	0.5
209.06035	2.8
211.07503	4.0
213.03772	0.6
213.05591	0.8
223.07559	6.9
226.06259	6.4
231.05080	2.5
239.07059	6.0
241.04808	1.5
241.08606	30.0
242.05708	0.5
249.09256	0.7
251.07001	1.8
252.07790	0.7
254.05681	2.7
256.07272	5.0
257.08099	12.5
257.10602	0.9
269.08102	78.1
270.08627	0.9
277.08566	0.6
279.13708	2.6
281.07993	0.9
293.08029	1.4
293.11530	0.7
294.08783	0.5
295.09454	0.8
299.09137	0.7
305.28693	0.5
307.09756	0.9
307.13229	7.3
309.11194	1.6
311.09229	0.8
319.13199	0.7
323.09210	0.5
323.12723	1.2
325.14355	100.0
326.14685	1.6
337.14374	7.5
349.14407	1.3
355.15417	22.8
367.15439	3.5
603.20734	1.9
603.30359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.2
53.81436	1.1
55.01871	6.4
57.03425	4.5
61.02914	4.1
63.26346	1.0
65.03931	1.4
67.05499	2.1
68.99780	3.1
69.03085	2.0
69.03432	28.7
69.07053	4.8
69.48222	8.4
69.66699	1.0
70.06609	1.1
71.04984	2.6
73.02908	4.5
77.03919	1.0
79.05495	7.8
81.03420	30.1
81.07060	2.5
83.01328	1.5
83.04984	1.2
85.02911	47.6
87.00838	17.4
87.04475	1.1
91.03957	1.2
91.05468	3.9
93.07047	2.3
95.04948	4.4
95.08581	1.5
97.02900	16.6
99.04472	10.0
99.53223	1.1
101.02414	1.4
103.03915	1.4
103.05461	3.4
105.01862	9.8
105.07021	1.9
107.04950	3.6
107.08612	1.3
109.02888	24.5
109.10164	1.4
109.52263	1.0
110.03650	2.2
115.03926	1.3
117.01855	4.1
117.06998	1.1
119.04967	1.3
119.08604	1.1
123.04420	3.1
123.16313	1.1
125.05939	1.7
127.03927	33.9
129.01866	3.6
129.06976	1.4
131.04916	4.4
131.08488	1.1
133.02824	1.0
133.10078	1.7
133.40565	0.9
135.04427	78.5
137.05980	2.1
138.03134	8.8
145.04961	7.8
145.06500	1.7
147.02869	1.9
147.04401	4.2
149.05916	1.4
149.72572	1.1
153.05475	100.0
157.06517	1.0
159.02882	10.6
159.04402	18.5
159.05630	1.9
160.05130	1.2
161.05960	3.3
162.03139	2.2
163.07733	1.2
165.05484	3.1
165.06870	1.5
169.06543	1.2
173.05962	2.3
175.03885	2.0
177.05476	14.5
183.04436	1.6
183.08087	2.1
185.05991	2.3
189.05452	1.9
189.09134	3.7
191.10678	68.2
191.41188	1.0
195.06459	1.2
197.05943	1.9
197.09698	1.3
201.05441	3.8
211.07532	3.8
213.05510	2.2
215.07060	1.2
215.10667	2.4
215.23482	1.0
217.08765	1.1
225.05379	1.3
225.09138	2.0
227.06895	1.4
231.04958	5.0
233.11742	3.4
238.06262	1.1
239.07030	3.6
240.07695	1.2
241.04802	1.4
243.06572	5.9
251.07036	1.3
253.08589	2.2
255.06604	1.7
256.07227	3.3
257.07993	1.1
257.11859	2.4
266.05707	1.1
267.06482	4.5
268.07193	1.2
269.04517	1.2
269.07932	1.5
271.09686	2.4
281.08121	2.8
283.05988	1.5
284.06711	3.1
285.07532	3.6
286.08301	3.2
297.07617	7.5
298.08307	1.8
299.09167	73.6
300.09607	1.1
311.09003	4.9
323.09128	11.0
341.10220	13.9
353.13876	5.3
354.14612	1.9
355.15402	60.6
356.15683	1.8
365.10123	4.9
367.15326	3.4
379.15445	3.4
389.10104	2.3
397.16525	9.6
403.14001	1.4
407.11151	8.4
421.15594	2.8
439.15863	1.7
511.12012	5.6
529.13220	3.1
547.14264	9.5
585.19836	1.3
603.20715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.0
55.01868	2.3
55.05510	1.1
57.03424	2.1
61.02925	1.9
65.03950	0.9
67.05499	1.9
68.99797	2.5
69.03436	14.8
69.07054	1.4
70.06605	0.6
70.21786	0.5
71.01371	0.6
71.04990	1.4
72.08162	0.7
73.02917	2.2
79.05493	2.7
81.02988	0.9
81.03423	11.5
81.07071	2.8
83.01331	0.7
83.05007	0.9
85.02909	18.9
87.00831	7.1
91.05488	8.4
92.04452	0.6
93.03409	0.6
93.07048	2.2
95.04981	1.0
95.08597	1.7
97.02892	8.5
98.21562	1.4
99.04451	4.5
103.03954	1.6
103.05481	1.3
105.01887	4.3
105.07042	3.8
107.04951	1.4
107.08602	1.7
109.02876	10.4
109.06493	1.5
109.10133	1.6
110.03690	0.8
115.00072	0.5
115.05459	1.0
117.01826	0.8
117.07033	1.5
119.04962	8.9
119.08582	3.6
121.06467	1.1
121.10162	2.9
123.04437	1.5
125.05984	1.8
127.03925	20.7
128.06203	2.3
129.01826	1.8
129.07030	1.3
131.04909	0.7
131.08549	0.6
132.29935	0.6
133.06496	3.5
133.10110	3.1
135.04439	1.2
135.08006	0.9
135.11713	1.1
137.09592	0.8
138.03125	8.0
141.07057	0.6
143.08603	3.9
145.04953	5.0
145.06497	2.1
145.10141	1.2
146.07301	0.9
147.04417	29.9
147.08067	6.0
147.11647	0.7
149.06007	1.1
149.13318	0.6
153.05476	100.0
155.08586	0.8
157.10040	0.6
159.02913	4.1
159.08058	0.9
160.05206	0.9
161.06001	4.0
161.09628	4.8
163.03911	1.3
165.09196	0.7
167.07100	1.0
171.08041	6.9
173.06053	1.4
173.09654	0.7
174.06766	6.9
175.03984	0.7
175.07549	2.0
175.14825	0.6
177.05496	1.3
179.07042	9.1
185.06018	0.6
186.06773	0.7
187.06003	1.5
187.07570	1.1
187.11249	0.8
189.09120	53.9
190.09691	1.1
195.06543	1.2
197.09711	0.6
201.09129	1.5
203.10678	7.8
211.16901	0.6
213.03951	0.9
213.09111	2.6
215.10725	3.8
227.10680	0.6
231.05022	3.0
231.10168	6.5
255.10258	1.7
279.10129	0.5
297.11334	2.7
301.10797	1.7
319.26334	0.7
341.13962	0.7
355.15411	33.3
367.15393	1.5
379.15472	2.2
397.16452	6.5
401.12363	1.7
419.13449	0.6
421.16492	2.3
445.16663	0.9
446.92017	0.5
463.17566	2.5
567.18280	2.8
585.19482	2.5
603.20465	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	603.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.01873	2.4
55.05505	0.7
56.73116	0.3
57.03438	2.4
59.04978	0.5
61.02913	1.5
65.03931	0.7
67.05492	1.0
68.99796	2.8
69.03432	14.1
69.03815	0.7
69.07059	0.4
70.84816	0.6
71.01352	0.5
71.04982	1.0
73.02925	2.2
79.05499	2.2
79.07867	0.3
81.03422	12.5
81.07047	1.6
82.04220	0.6
83.04967	0.6
85.02909	18.0
87.00832	6.6
87.04445	0.4
91.03938	0.6
91.05482	7.3
93.03398	0.3
93.07047	1.5
95.04961	1.4
95.08600	1.0
97.02279	0.6
97.02893	7.8
97.06539	0.8
99.04457	4.0
103.03944	0.9
103.05471	1.0
105.01866	3.7
105.07038	3.6
106.04218	0.4
107.04979	1.5
107.08576	0.6
109.02882	10.4
109.06526	1.4
109.10186	0.7
110.03664	0.9
115.03914	0.7
115.05440	1.1
117.01855	1.0
117.07041	1.3
119.04946	8.3
119.08578	3.1
121.02860	0.3
121.06519	1.0
121.10155	2.3
123.04412	1.4
123.08086	0.8
124.18890	0.3
125.05987	1.7
127.03922	14.9
128.06235	2.2
129.01822	1.1
129.06995	1.0
131.04938	0.5
131.08572	1.4
133.02930	0.3
133.06490	3.1
133.10112	1.7
135.04346	0.4
135.08061	0.5
137.05971	0.6
138.03122	7.8
142.07751	0.8
143.08565	4.9
145.04959	4.1
145.06485	2.0
145.10086	0.9
146.07272	1.4
147.02966	0.9
147.04419	25.7
147.08070	2.5
147.11690	0.4
148.05186	0.3
149.05995	1.1
151.07538	1.2
153.05472	100.0
154.05779	0.9
155.08557	0.5
157.06509	0.4
157.10173	0.9
158.07254	0.4
159.02884	4.3
159.08073	1.4
159.11797	0.4
160.05243	0.6
161.06017	3.7
161.09622	3.5
162.06801	0.5
164.04692	0.5
165.05554	0.3
165.09151	0.3
167.07173	0.6
167.08508	0.6
171.08067	9.4
172.08540	0.5
173.05991	1.2
174.06775	6.9
175.03905	0.4
175.07561	4.0
175.11191	0.6
177.05518	0.6
179.07050	8.6
179.08456	0.3
181.10074	0.4
183.08119	0.8
185.09557	1.1
187.06000	0.8
187.07579	1.4
187.11139	0.6
189.09117	38.2
190.09877	0.6
191.10770	0.4
195.06523	0.9
195.08133	1.0
197.09769	0.4
198.06841	0.5
199.11198	0.5
201.09091	2.5
203.10686	6.2
213.03862	0.5
213.09100	3.6
215.07076	0.3
215.10654	3.1
227.10735	0.8
229.08556	0.4
231.04971	2.2
231.10150	6.5
237.09343	0.4
241.12144	0.5
253.08682	0.5
255.10194	3.2
269.11691	0.5
279.10098	1.0
297.08060	0.6
297.11203	4.0
301.10693	3.7
305.64294	0.4
311.12680	0.6
339.12341	0.6
341.10049	0.7
341.13852	6.5
353.13846	0.6
355.15414	22.7
367.15445	1.1
379.15320	2.0
391.19675	0.3
397.16418	4.0
401.12320	1.2
419.13281	0.7
421.16513	2.8
445.16302	0.7
463.17365	2.7
567.18518	1.0
585.19666	1.7
603.21167	1.9
603.30206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
53.71634	0.4
55.01884	2.1
55.05500	0.5
57.03437	1.8
61.02915	1.4
65.03927	1.0
67.05493	0.7
68.99796	1.8
69.03082	0.7
69.03436	10.7
70.95637	0.9
70.95971	0.4
71.01337	0.3
71.04999	1.7
73.02917	2.0
74.76623	0.3
77.03942	0.4
79.05502	1.8
81.03420	11.1
81.07040	0.8
82.04195	0.4
83.01371	0.4
85.02912	15.8
87.00838	6.1
87.04464	0.5
91.05482	4.7
93.07026	1.0
95.04968	0.8
95.08598	1.0
97.02896	7.2
99.04451	3.3
101.02387	0.5
102.55537	0.4
103.03964	0.7
103.05488	0.4
105.01868	3.1
105.03369	0.4
105.07032	2.5
107.04926	1.1
107.08584	0.6
109.02885	8.2
109.06514	1.1
109.10172	0.8
110.03673	1.1
115.03992	0.4
115.05477	0.8
117.01865	0.8
117.07018	0.7
119.04950	4.7
119.08588	2.1
121.06496	0.7
121.10154	0.7
123.04432	1.1
125.05988	1.7
127.03930	11.5
128.06204	1.5
129.01801	1.0
129.06992	0.4
131.04967	0.5
131.08521	0.5
133.02917	0.4
133.06532	1.7
133.10123	1.3
135.04411	1.4
137.05922	0.7
138.03130	8.1
141.07033	0.6
142.07799	0.7
143.08560	2.7
145.04973	3.4
145.06450	1.1
145.10219	0.5
147.03024	0.9
147.04414	16.1
147.06931	0.5
147.08060	8.5
147.11650	0.4
149.06018	0.4
151.07538	0.7
153.05473	100.0
154.05826	0.8
157.06468	0.4
157.10110	0.7
159.02914	3.3
159.04214	0.6
159.08043	0.5
161.06024	2.2
161.09644	2.8
163.03914	0.4
167.07024	1.1
171.08063	5.1
173.06046	0.7
174.06749	2.6
175.03995	0.4
175.07562	1.7
175.11151	0.4
177.05489	0.9
179.07054	6.3
183.08017	0.8
184.05151	0.4
187.06110	0.4
187.07564	1.6
189.09122	36.8
190.09613	0.4
193.10283	0.4
195.06546	0.8
195.08069	0.8
197.09793	0.4
199.11226	0.5
201.09117	1.4
203.10669	3.0
205.08611	0.5
213.03879	0.5
213.09111	2.9
215.10670	2.3
223.11198	0.5
227.10716	1.0
229.08676	0.8
231.05022	1.9
231.10168	8.0
241.12315	0.4
243.10452	0.4
255.10187	3.5
257.11926	0.3
269.11798	0.6
277.70535	0.4
279.10104	0.6
281.11804	0.4
297.11237	4.3
301.10709	2.0
311.12717	0.7
339.12363	0.6
341.13910	2.8
353.13846	0.4
355.15408	11.5
367.15353	2.1
379.15488	1.7
397.16498	3.9
401.12238	2.3
419.13467	1.4
421.16492	2.1
445.16486	0.6
463.17560	3.4
567.18457	1.7
585.19550	0.9
603.20612	0.8
603.31091	0.5
632.26599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58051	0.4
51.88988	0.5
53.03955	2.2
55.01863	1.9
55.05496	0.4
57.03420	2.0
60.91518	0.5
61.02926	0.9
65.03934	1.4
67.05498	0.9
68.99792	2.6
69.03436	11.7
69.79099	2.4
71.01354	0.4
71.04974	1.1
73.02931	2.2
79.05505	2.2
81.03423	10.7
81.07073	2.2
85.02435	0.9
85.02912	13.3
85.06564	0.5
87.00826	5.0
91.05487	10.5
93.07067	2.2
93.07558	0.4
95.04989	0.8
95.08614	0.9
97.02287	0.7
97.02891	6.5
99.04467	3.7
101.02409	0.6
103.05454	1.4
105.01889	3.1
105.03400	0.6
105.07039	4.8
107.04960	2.1
107.08596	0.9
109.02893	8.3
109.06501	1.3
110.03661	0.9
115.05456	1.8
117.01882	0.5
117.07025	1.7
119.04948	13.0
119.08586	2.8
121.02891	0.5
121.06465	0.8
121.10164	4.1
123.04436	1.3
125.05980	1.8
127.03922	12.7
128.06256	2.8
129.01842	1.0
129.06987	1.1
131.04922	1.3
131.08559	1.2
133.02844	0.9
133.06505	5.0
133.10089	2.8
135.04446	0.7
135.08073	0.5
135.11653	0.5
137.05952	1.3
138.03123	7.4
141.07056	0.7
143.08575	5.1
145.04971	3.4
145.06468	3.2
145.10135	0.7
146.07272	1.1
147.04420	44.6
147.08061	2.5
148.04700	0.7
149.05998	1.0
151.00600	0.5
153.05476	100.0
154.05798	1.0
157.10159	0.8
159.02927	3.6
159.08057	1.8
159.11729	0.5
160.05151	0.7
161.05988	6.5
161.09633	6.0
162.06718	0.6
163.03877	0.7
167.07108	0.6
171.08066	6.7
172.08543	0.4
173.05995	2.1
173.09613	1.0
174.06783	7.1
175.03911	6.0
175.07547	2.6
175.11214	1.0
177.05443	0.9
179.07050	13.9
185.06102	0.5
185.09671	0.8
187.06006	0.7
187.07542	1.3
187.11171	1.7
189.09126	48.1
190.09601	1.4
195.06601	0.8
200.08357	1.0
201.09140	2.1
203.10667	18.5
213.03896	0.7
213.09193	1.1
215.10670	5.9
231.04965	3.1
231.10234	3.9
255.10175	0.9
269.68518	0.5
297.11325	2.0
301.10675	1.0
309.01886	0.5
317.06708	0.8
339.12299	0.9
340.12735	1.1
341.10159	4.6
341.13751	0.6
352.62967	0.5
353.13876	1.0
355.15411	61.5
356.15805	1.8
367.15506	0.9
372.03952	0.4
379.15555	2.2
383.10553	0.5
393.15448	0.6
397.16486	6.8
401.12381	0.6
419.13275	0.6
421.16541	2.0
455.32547	0.5
463.17911	2.2
503.15521	0.5
517.20691	0.9
567.18365	2.1
585.19836	3.9
603.20721	14.9
604.21252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58051	0.4
51.88988	0.5
53.03955	2.2
55.01863	1.9
55.05496	0.4
57.03420	2.0
60.91518	0.5
61.02926	0.9
65.03934	1.4
67.05498	0.9
68.99792	2.6
69.03436	11.7
69.79099	2.4
71.01354	0.4
71.04974	1.1
73.02931	2.2
79.05505	2.2
81.03423	10.7
81.07073	2.2
85.02435	0.9
85.02912	13.3
85.06564	0.5
87.00826	5.0
91.05487	10.5
93.07067	2.2
93.07558	0.4
95.04989	0.8
95.08614	0.9
97.02287	0.7
97.02891	6.5
99.04467	3.7
101.02409	0.6
103.05454	1.4
105.01889	3.1
105.03400	0.6
105.07039	4.8
107.04960	2.1
107.08596	0.9
109.02893	8.3
109.06501	1.3
110.03661	0.9
115.05456	1.8
117.01882	0.5
117.07025	1.7
119.04948	13.0
119.08586	2.8
121.02891	0.5
121.06465	0.8
121.10164	4.1
123.04436	1.3
125.05980	1.8
127.03922	12.7
128.06256	2.8
129.01842	1.0
129.06987	1.1
131.04922	1.3
131.08559	1.2
133.02844	0.9
133.06505	5.0
133.10089	2.8
135.04446	0.7
135.08073	0.5
135.11653	0.5
137.05952	1.3
138.03123	7.4
141.07056	0.7
143.08575	5.1
145.04971	3.4
145.06468	3.2
145.10135	0.7
146.07272	1.1
147.04420	44.6
147.08061	2.5
148.04700	0.7
149.05998	1.0
151.00600	0.5
153.05476	100.0
154.05798	1.0
157.10159	0.8
159.02927	3.6
159.08057	1.8
159.11729	0.5
160.05151	0.7
161.05988	6.5
161.09633	6.0
162.06718	0.6
163.03877	0.7
167.07108	0.6
171.08066	6.7
172.08543	0.4
173.05995	2.1
173.09613	1.0
174.06783	7.1
175.03911	6.0
175.07547	2.6
175.11214	1.0
177.05443	0.9
179.07050	13.9
185.06102	0.5
185.09671	0.8
187.06006	0.7
187.07542	1.3
187.11171	1.7
189.09126	48.1
190.09601	1.4
195.06601	0.8
200.08357	1.0
201.09140	2.1
203.10667	18.5
213.03896	0.7
213.09193	1.1
215.10670	5.9
231.04965	3.1
231.10234	3.9
255.10175	0.9
269.68518	0.5
297.11325	2.0
301.10675	1.0
309.01886	0.5
317.06708	0.8
339.12299	0.9
340.12735	1.1
341.10159	4.6
341.13751	0.6
352.62967	0.5
353.13876	1.0
355.15411	61.5
356.15805	1.8
367.15506	0.9
372.03952	0.4
379.15555	2.2
383.10553	0.5
393.15448	0.6
397.16486	6.8
401.12381	0.6
419.13275	0.6
421.16541	2.0
455.32547	0.5
463.17911	2.2
503.15521	0.5
517.20691	0.9
567.18365	2.1
585.19836	3.9
603.20721	14.9
604.21252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96959	0.4
53.03946	2.6
55.01866	1.9
55.05500	1.0
57.03423	1.5
60.08961	0.3
61.02904	1.4
65.03926	1.0
67.05505	1.1
68.99789	2.9
69.03434	12.0
69.44022	2.0
69.44455	1.3
70.36552	0.4
71.01354	0.5
71.04975	1.3
72.08147	0.4
73.02923	2.1
78.09744	0.3
79.05493	2.0
80.91814	0.4
81.03423	10.0
81.07046	2.1
83.08617	0.4
85.02908	13.7
87.00829	4.4
87.04429	0.5
91.05486	10.7
93.07041	1.9
95.04950	1.1
95.08602	0.9
97.02902	7.2
97.06518	0.4
98.20766	0.7
99.04463	2.8
103.03928	0.7
103.05470	1.3
105.01868	4.0
105.07035	4.0
107.04968	2.1
107.08582	0.8
109.02887	9.0
109.06514	1.7
109.10164	0.6
110.03658	1.2
111.04476	0.5
115.03951	0.5
115.05445	1.3
117.01820	0.6
117.07008	1.6
117.09098	0.4
119.04947	13.4
119.08585	2.5
121.06511	0.7
121.10160	3.0
123.04467	0.8
125.05976	1.4
127.02953	0.6
127.03917	12.3
128.06204	2.1
129.01799	0.9
129.06998	0.6
131.04938	0.5
131.08565	1.1
133.02849	0.7
133.06509	4.2
133.10123	1.9
135.04434	0.5
137.06001	1.3
138.03125	7.2
142.07784	0.6
143.08600	4.5
145.04987	3.1
145.06483	2.8
145.10161	1.2
146.07326	0.7
147.04416	40.5
147.08047	1.3
147.11745	0.6
148.04810	0.5
149.05981	0.9
153.05472	100.0
154.05820	1.0
155.08614	0.6
155.15762	0.4
157.06454	0.5
157.10150	0.5
159.02910	3.4
159.08064	0.9
159.11705	0.5
160.05183	0.9
161.05995	4.5
161.09630	5.4
162.06593	0.6
164.04697	0.7
165.05527	0.5
167.07158	0.6
169.10110	0.7
171.08051	6.7
173.06010	2.2
173.09712	0.6
174.06760	8.1
175.03925	3.0
175.07574	2.2
175.11192	0.6
177.05447	1.1
179.07037	13.8
185.09734	0.6
186.06902	0.5
187.06068	0.6
187.07574	1.4
187.11192	1.2
188.08160	0.5
189.09114	45.8
190.09642	0.8
191.06990	0.6
191.10779	0.6
195.06525	0.5
200.08287	1.1
201.09122	1.9
203.10669	15.2
213.04010	0.5
213.09149	1.1
215.10681	5.7
227.10597	0.5
231.05066	1.8
231.10176	4.7
239.10681	0.5
243.10078	0.4
255.10226	1.1
297.11050	2.3
301.10666	0.8
317.06790	0.6
338.67929	0.5
339.12393	0.4
340.12805	1.1
341.10187	4.5
341.13873	0.6
353.14081	0.7
354.14084	0.6
355.15405	57.9
356.15814	1.2
367.15326	0.5
379.15356	2.1
393.15540	0.6
397.16467	6.1
401.12357	0.9
421.16437	2.4
445.16290	0.5
463.17737	2.7
503.15344	0.5
567.18732	2.1
585.19775	4.6
603.20770	14.3
603.29950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01092	0.9
53.03946	6.0
53.67308	0.8
55.01881	4.5
55.05514	1.2
57.03423	3.6
61.02919	3.3
65.03934	1.2
67.05495	2.3
68.99794	7.6
69.03076	1.5
69.03432	23.7
69.07072	13.1
70.06586	1.0
71.05009	3.8
72.08125	1.2
73.02902	3.1
78.87219	0.9
79.05495	4.9
81.02977	1.4
81.03421	18.3
81.07055	4.0
85.02908	37.4
85.06555	0.9
87.00835	14.7
87.04477	1.1
91.05478	3.9
93.07041	2.9
94.94956	0.7
95.04953	3.4
95.08611	4.3
97.02898	14.1
97.10175	1.0
98.21619	1.2
99.04446	8.6
103.03941	1.8
103.05484	1.6
105.01875	8.4
105.07023	3.5
107.04973	2.7
107.08562	1.9
109.02889	18.3
109.03591	0.6
109.10166	3.0
110.03677	1.4
117.01852	2.0
117.07000	0.9
119.04913	2.1
119.08571	2.5
121.06469	1.2
121.10162	1.2
123.04391	2.3
123.08038	1.2
123.11726	1.5
125.06010	2.5
125.09665	0.8
127.03919	24.7
129.01840	3.0
130.21140	0.8
131.08517	1.6
133.06441	2.1
133.10127	1.1
135.04425	5.5
135.08099	1.0
135.11769	1.0
137.05936	1.6
138.03116	9.9
141.06987	1.2
141.52322	0.8
143.08566	1.9
145.04979	6.7
145.06516	1.3
145.10124	2.1
147.02885	2.4
147.04411	7.1
147.08011	1.7
147.11742	1.6
149.02304	1.0
149.05975	7.9
149.13229	1.1
151.07544	1.3
153.05475	100.0
154.05853	1.6
157.10155	1.2
159.02905	8.2
159.07979	1.1
159.11705	0.8
160.05220	1.0
161.05969	2.7
161.09657	1.1
161.13258	0.9
162.06622	0.8
163.03918	1.2
164.04692	1.2
165.05460	1.6
171.08018	1.7
173.06015	1.6
173.09618	4.1
175.03883	1.2
177.05443	6.1
179.07056	1.4
183.07986	1.6
185.05968	1.2
187.07443	1.4
189.03941	1.2
189.05507	2.1
189.09129	6.9
191.10681	45.9
193.04861	1.0
195.08118	1.2
197.06010	1.8
198.06694	1.3
199.07581	1.2
203.10667	1.2
211.07576	2.4
215.10695	4.1
223.07634	1.5
226.06258	1.2
229.08582	1.2
231.04941	3.9
231.10104	1.7
233.11705	2.9
237.21819	0.8
239.07021	2.3
241.08546	4.4
250.05801	0.8
254.05676	1.2
256.07336	1.6
257.08084	3.6
257.11713	1.2
267.06567	2.2
269.08112	9.9
271.05939	2.5
271.09180	1.1
281.08032	1.4
283.09833	1.2
284.06665	1.3
285.07578	4.4
286.08328	4.4
293.07828	1.2
297.07562	3.1
298.08389	1.3
299.09146	25.3
299.12546	1.2
307.13147	1.2
309.11243	1.0
311.09088	3.7
319.26337	2.1
323.09256	2.3
325.14322	15.1
327.08722	1.1
337.14346	0.9
341.10062	3.2
341.13904	1.4
353.13757	6.8
354.14532	1.2
355.11951	2.2
355.15414	43.2
356.16476	1.0
365.10181	3.2
367.15390	2.4
379.15369	1.2
389.09842	1.3
397.16498	3.3
407.11258	3.2
463.17224	0.9
507.45969	0.8
508.35391	0.9
511.12039	2.0
533.12927	1.7
547.14459	1.9
566.28180	0.8
603.20795	1.8
603.31415	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	602.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05516	0.8
67.05503	1.7
69.03423	3.6
69.07068	0.8
70.06599	6.9
71.04996	1.8
72.08150	2.2
74.57780	0.7
75.04469	3.9
79.05481	2.9
81.03406	2.1
81.07059	2.1
83.04954	0.7
84.08138	2.0
85.02905	4.3
86.37217	0.8
87.00790	1.1
87.04504	0.8
91.05477	2.3
93.07038	1.8
95.04974	1.5
95.08607	1.8
97.02907	4.8
98.06056	1.3
99.04446	1.8
100.07641	1.3
101.84442	0.7
103.03963	0.8
103.05447	2.0
105.07039	20.5
107.04973	0.9
107.08598	2.1
109.02880	2.2
109.10171	1.4
117.03392	0.9
117.05799	1.6
118.08663	0.9
119.04931	3.3
119.08594	3.0
121.10103	1.1
123.08032	4.1
125.09656	1.1
127.03922	4.0
127.57671	0.7
128.07100	3.0
130.06525	0.9
130.08652	3.2
131.07312	16.7
132.08096	15.7
133.07578	1.6
133.10063	0.8
134.09657	0.9
137.06013	1.8
138.03191	0.8
144.08095	2.6
145.02844	2.2
145.04965	1.3
145.08882	5.5
145.09952	1.0
146.09656	100.0
147.04419	9.6
147.11595	0.8
149.06013	1.2
151.17307	0.7
153.05470	7.1
154.05827	1.6
158.09673	10.4
159.07979	1.0
159.10449	1.7
160.07603	4.9
160.11232	38.5
161.08356	1.2
163.03932	0.9
164.07135	0.9
172.07513	1.0
175.14874	0.8
175.38593	0.8
176.07050	0.9
177.05475	4.6
179.07010	0.9
186.09302	0.7
187.07552	1.6
187.09967	1.5
188.07990	1.6
188.10710	6.7
190.08676	1.0
190.12285	3.6
192.10222	21.3
192.13889	2.4
192.74731	0.7
201.09068	1.9
202.09428	1.3
206.11855	1.8
213.09210	1.4
218.11742	6.8
220.13318	2.6
236.12817	4.0
246.11308	2.7
247.78694	0.7
248.12856	2.1
250.14426	11.1
264.12366	21.6
272.18887	0.8
278.13882	86.9
279.14352	1.2
296.14954	26.9
353.13824	2.0
354.14221	5.0
361.14221	1.2
362.14496	1.1
404.15396	1.7
464.74518	0.9
584.21417	0.8
602.19781	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	601.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
53.08382	3.3
55.01858	4.2
55.05519	28.5
57.07061	9.8
59.05015	5.2
65.03932	7.8
67.05220	3.9
67.05513	43.5
69.03428	15.2
69.07075	25.1
71.05021	7.3
71.49121	3.1
79.05500	38.8
81.07059	54.2
83.04987	17.8
83.08633	25.0
85.02916	5.0
85.06533	11.0
86.97216	3.4
91.05486	61.2
93.07055	76.8
95.04987	22.9
95.08610	47.7
97.06555	19.9
103.05471	6.5
105.07043	95.0
107.04964	4.9
107.08609	89.1
109.06525	19.8
109.10168	36.6
111.08085	7.5
113.09640	9.6
115.05483	8.4
117.07048	23.2
119.08583	100.0
120.08932	5.4
121.06501	8.7
121.10153	86.8
123.08053	15.8
123.11707	14.8
125.06020	4.7
125.09644	12.9
128.06218	11.6
129.06985	19.3
130.07794	9.3
131.08582	43.5
133.06516	4.6
133.10135	64.5
135.08041	12.0
135.11674	21.4
137.09596	12.1
139.11177	13.7
141.06960	9.0
142.07787	20.3
143.08575	36.2
144.09373	10.5
145.10133	71.8
147.08073	8.7
147.11653	27.2
149.09592	17.5
149.13391	4.7
151.07582	6.4
154.07617	6.0
155.08559	16.0
155.10646	11.1
156.09363	22.0
157.10143	59.5
158.10829	10.8
159.08049	14.7
159.11708	39.7
161.09618	16.3
161.13248	12.3
163.11159	10.6
165.07005	7.7
165.09125	8.0
167.08536	8.2
167.10680	54.8
168.09323	11.2
169.10118	35.1
170.10883	15.6
171.11725	37.8
173.09586	5.1
173.13260	25.0
175.11215	8.1
175.14857	17.1
179.08621	11.4
180.09404	4.4
181.10149	18.2
181.12280	14.4
182.10989	8.6
183.11754	27.3
185.09625	5.3
185.13240	14.6
187.14835	12.0
189.12761	5.9
191.14275	10.1
192.09389	7.2
193.10129	11.4
194.10910	10.3
195.11696	24.6
196.07362	8.1
196.12479	9.8
197.13263	28.1
199.11018	5.5
199.14832	15.1
201.16302	5.3
206.10948	7.7
207.11682	18.4
207.13683	5.9
208.12473	9.2
209.09778	4.0
209.13258	31.0
209.15118	4.6
210.13957	8.6
211.11038	3.8
211.14810	12.8
213.12810	4.1
213.16321	6.1
215.14230	5.8
217.15833	4.0
219.11688	7.7
221.13260	18.2
221.15404	23.4
222.13788	3.8
223.14848	16.0
225.12817	5.0
225.14822	12.4
225.16656	5.4
227.18015	4.3
229.15768	7.9
231.11607	3.8
232.12430	4.7
233.13300	8.6
233.15396	23.6
235.14822	13.4
236.15511	3.2
237.16328	7.9
245.13164	4.6
245.18857	4.4
247.14749	6.5
248.15462	4.5
249.16350	8.5
251.17975	5.2
253.15811	5.0
259.14819	4.4
261.16342	5.0
265.19568	5.5
269.19064	10.6
271.20572	4.1
273.16428	4.5
275.17767	6.0
277.19449	5.3
281.19022	7.6
283.20554	8.6
287.37656	3.7
295.20633	8.0
343.29535	3.8
361.25623	4.9
375.25555	4.8
415.29947	9.9
452.44180	4.0
565.40076	5.7
583.41290	26.0
585.13867	4.2
601.42419	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.05517	5.9
57.07085	7.1
59.04992	3.8
65.03947	3.0
67.05510	12.9
69.03435	9.9
69.07063	7.5
71.27960	2.5
79.05494	13.2
81.07075	18.8
81.07539	2.4
83.04992	5.8
85.06570	3.0
91.05487	25.2
93.06474	2.0
93.07050	39.7
94.07332	1.5
95.04977	7.9
95.08619	20.5
97.06522	3.6
103.05473	2.7
105.04508	1.8
105.07038	44.1
106.07357	2.5
107.08600	21.5
108.08901	1.7
109.06537	9.5
109.10165	9.7
111.08026	2.0
115.05450	3.3
117.07011	9.6
119.08593	43.2
119.28960	1.2
120.08877	2.5
121.06551	8.4
121.10149	22.8
123.08067	16.9
123.11744	2.4
125.05987	5.1
128.06226	5.4
128.16129	1.3
129.07024	9.8
130.07767	4.0
131.08575	18.8
133.06529	2.5
133.10130	24.8
135.08064	13.6
135.11725	8.1
136.08394	1.5
137.09618	16.0
141.07007	2.2
142.07796	8.1
143.08577	15.5
144.09303	5.7
145.10135	33.0
146.10498	3.7
147.08069	25.5
147.11678	8.0
148.08420	1.9
149.09598	5.5
151.07555	15.4
151.11182	1.4
155.08566	4.9
156.09315	5.9
157.10144	21.1
158.10706	2.6
159.07990	1.7
159.11708	16.8
160.12004	1.7
161.09592	5.2
161.13295	6.8
163.11188	11.3
165.07031	2.0
165.09131	52.6
166.09450	2.1
167.08580	3.4
168.09332	3.5
169.10133	11.3
169.29745	1.2
170.10855	4.4
171.11700	13.1
172.12389	2.1
173.09654	3.1
173.13252	8.0
175.11191	5.6
175.14824	5.6
176.11720	1.4
177.12682	2.0
179.08589	2.2
179.10658	1.5
180.09302	3.0
181.10147	6.6
181.12253	9.3
182.10904	3.7
183.11697	13.2
184.12340	1.3
185.09673	2.1
185.13239	6.7
187.11133	1.9
187.14845	5.7
189.12733	5.3
189.76004	1.4
190.13391	2.0
191.08411	1.3
191.10577	1.9
191.14310	5.0
193.10158	3.6
193.12183	2.6
194.10873	3.0
195.11736	7.7
196.12396	3.4
197.13239	6.7
198.13828	1.5
199.11133	2.0
199.14796	4.2
201.16339	1.7
203.14326	21.0
204.14655	2.4
207.11682	5.4
207.13841	8.4
208.12442	1.4
208.14476	2.5
209.13223	8.8
209.15137	2.5
211.11205	3.3
211.14807	4.2
213.12762	4.1
213.16382	2.7
215.14207	1.5
219.11783	2.3
221.13487	4.6
221.15376	100.0
222.15746	8.8
223.14792	3.5
225.16364	2.1
231.11749	1.9
234.16089	2.9
235.14752	2.7
235.16808	2.5
237.16391	2.8
245.13283	1.4
247.14769	1.5
247.16971	5.7
248.17361	2.5
249.16286	1.7
251.17902	1.8
261.16263	1.5
265.19556	1.6
269.18900	1.4
274.19135	2.8
275.19791	1.6
277.19684	1.8
283.20416	1.5
285.18558	1.5
286.19174	2.8
287.20010	4.7
297.22256	2.4
298.19128	1.4
299.19968	4.3
300.20850	3.9
301.21515	3.9
311.19949	1.8
312.20569	1.8
313.21362	3.1
325.21890	2.3
326.22217	2.5
339.23236	2.5
340.23865	2.4
340.28204	1.3
352.23871	4.0
353.24371	5.3
367.26361	6.8
375.26837	2.6
380.26602	1.5
393.28036	1.9
403.29788	1.3
420.30228	1.8
426.27170	1.8
427.28525	1.8
440.28949	2.6
441.29306	5.9
491.35092	11.5
509.35934	4.5
521.35712	7.2
579.44507	1.9
583.41351	10.9
601.42419	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	601.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
55.05497	14.2
57.03441	3.9
57.07076	67.1
58.04219	7.0
59.05002	24.6
59.42698	2.8
65.03954	3.9
67.05516	26.9
69.03408	11.7
69.07063	14.0
69.66118	6.7
69.66526	15.0
70.33282	2.7
70.92112	2.9
71.04990	4.1
71.08633	43.8
72.05766	5.9
72.94977	2.8
73.06585	5.3
78.03079	3.0
79.05503	18.9
81.07061	30.4
83.05000	4.7
83.08609	9.4
85.06539	4.9
85.10191	41.2
87.04460	10.9
89.06039	21.1
90.01910	22.6
91.05486	32.1
93.07048	46.5
95.04957	13.4
95.08610	38.8
97.06529	7.8
97.10168	3.6
99.11745	6.6
99.61549	3.4
103.07571	9.7
105.07040	50.1
107.04937	4.4
107.08619	30.2
109.06503	8.7
109.10143	20.1
111.08102	5.0
117.07016	12.2
117.09116	8.7
119.08595	53.6
120.08874	3.8
121.06497	11.9
121.10146	28.5
123.08070	23.4
123.11710	3.5
124.08418	3.6
125.06005	6.8
125.09641	6.4
128.06248	6.6
129.06998	12.1
130.07784	4.8
131.08580	19.5
133.08575	8.8
133.10147	27.6
134.10542	3.0
135.08054	12.9
135.11708	10.0
137.09628	14.7
142.07718	11.1
143.08565	20.5
144.09344	4.7
145.10126	31.1
147.08044	22.9
147.11652	11.6
149.09601	8.1
151.07521	16.1
153.91737	2.8
155.08556	9.0
155.17929	3.8
156.09311	10.3
157.10144	25.1
158.10660	4.5
159.08038	5.8
159.11688	24.3
161.09622	7.1
161.13254	8.8
163.11162	6.2
165.09125	48.7
166.09389	3.4
167.08623	5.5
169.10068	12.0
170.10889	6.7
171.11687	15.6
172.12056	4.0
173.09628	6.3
173.13240	10.4
175.11162	6.6
175.14778	8.5
177.12798	4.5
178.07147	6.3
179.08601	3.9
181.10036	3.8
181.12253	8.5
182.10860	4.6
183.11665	11.7
185.09607	3.9
185.13232	10.7
187.14833	4.4
189.12730	4.6
191.14246	6.9
193.10126	4.9
195.11636	12.2
196.12360	5.9
197.13255	10.2
199.11150	4.9
199.14752	4.0
203.14369	21.1
207.11810	7.1
207.13826	9.4
209.13261	8.6
209.15254	3.7
210.13754	4.7
211.14885	8.2
213.12682	4.2
221.13390	5.1
221.15370	100.0
222.09637	5.7
222.15718	7.0
225.16527	5.0
233.15398	4.2
234.16031	6.9
247.16911	3.3
251.06293	3.2
266.19598	3.7
267.17682	4.3
282.19196	4.1
286.19171	3.6
287.20285	4.7
288.20410	3.4
296.20685	3.9
299.20050	3.9
300.20654	4.3
301.21692	3.4
302.74960	3.1
312.20624	3.3
324.23727	4.4
341.30392	10.7
352.23895	7.4
353.24362	15.3
366.25244	4.3
450.37604	5.7
491.35135	5.9
521.35632	18.7
583.41254	8.6
601.42358	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	601.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07482	1.2
50.12751	1.1
53.03923	2.9
55.05511	14.7
57.03436	2.9
57.07066	4.1
65.03930	2.3
67.05175	1.6
67.05511	24.6
69.03416	1.5
69.06718	2.3
69.07071	24.8
69.97494	4.4
69.97907	2.4
71.01337	4.2
73.02921	6.8
79.05493	12.7
80.80161	1.6
81.07060	42.8
83.08607	11.8
85.02912	19.4
91.05482	15.6
93.07050	34.4
95.01307	7.2
95.08611	100.0
97.02816	1.2
97.10184	6.4
98.20841	1.8
103.03931	1.8
105.07035	31.9
105.16772	1.2
107.07870	2.9
107.08602	55.1
109.10162	69.4
111.08128	1.3
111.11712	5.6
113.02370	6.9
114.94025	1.2
117.07035	3.5
119.08586	51.9
121.10152	49.5
121.11036	2.0
123.11717	30.5
131.03387	4.7
131.08562	10.3
133.10141	44.4
135.11703	40.6
137.13304	8.3
141.01845	12.2
143.08562	2.4
144.11906	1.2
145.10118	16.2
147.11693	34.8
147.12796	2.8
149.13255	27.1
151.14844	2.2
153.05484	3.5
157.10081	3.0
158.10930	1.5
159.02888	2.5
159.11710	19.5
159.56328	1.4
160.12459	1.6
161.13263	37.8
163.14844	25.2
166.94296	1.3
171.11720	4.4
173.13260	11.8
175.14824	25.4
177.16406	27.8
179.17970	2.7
185.13280	2.6
187.07594	2.7
187.14828	17.9
189.16399	70.5
191.17960	47.9
199.14894	2.0
201.09073	2.2
201.16412	22.4
202.62227	1.2
203.17970	32.9
205.19559	15.9
207.17459	4.7
213.16423	4.1
215.17955	15.8
217.17471	1.9
217.19524	30.1
219.21179	4.5
221.19011	2.1
225.16457	1.5
227.17952	6.0
229.19499	19.8
231.21123	7.4
241.19496	2.3
243.20973	9.2
245.22633	6.1
255.21011	3.8
257.22723	8.3
269.22681	6.8
271.24231	8.8
283.24222	2.2
285.25864	3.1
297.25778	11.0
311.27377	1.6
337.28809	2.2
351.30475	1.4
353.13980	2.1
365.32123	5.7
383.20551	2.1
407.36722	47.6
425.37918	8.2
601.18658	1.7
601.40948	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	601.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05515	16.7
57.03430	5.1
57.07059	4.1
67.05508	36.2
69.07070	30.6
69.89372	7.0
69.89767	4.1
70.06582	2.6
71.01340	3.1
72.08137	2.9
73.02911	9.4
79.05507	19.7
81.03416	4.3
81.07059	49.1
83.04959	2.1
83.08607	16.5
85.02900	16.3
91.05475	24.7
93.07047	40.9
95.01319	9.5
95.04947	5.4
95.08611	100.0
97.02911	4.2
97.10168	7.3
101.02367	2.4
103.03922	3.0
105.07032	36.3
107.08595	53.9
109.10159	79.9
111.11711	7.0
113.02381	6.1
117.07022	5.4
119.08589	55.6
120.58652	1.9
121.09315	4.0
121.10146	55.2
123.11704	25.3
131.03488	3.8
131.08568	9.9
133.10146	47.9
135.11697	46.2
137.13251	8.9
141.01836	13.8
143.08582	3.2
144.09297	2.6
145.10164	21.9
147.11694	37.7
149.13295	24.0
153.05473	8.7
157.10150	5.8
159.02921	2.4
159.11708	21.9
161.13271	33.5
163.03955	2.9
163.14809	21.0
165.16449	2.9
171.11655	4.7
173.05981	2.8
173.13258	12.6
175.14853	20.2
177.16386	24.6
179.17963	2.4
185.13321	3.4
186.14249	2.4
187.07559	5.9
187.14835	16.5
189.16383	63.6
191.17946	49.6
199.14914	3.4
201.09184	3.1
201.16370	19.9
203.17972	37.0
205.19501	13.3
207.17412	4.1
215.17926	17.2
217.19530	34.0
219.21072	5.3
229.19521	17.3
231.21097	9.4
241.19492	4.0
243.21124	10.8
245.22688	7.6
255.21129	4.4
257.22717	11.1
269.22556	3.8
271.24133	7.8
282.72910	2.4
297.25772	10.2
307.62344	2.4
353.13834	9.6
365.32343	3.5
383.20645	2.7
387.64291	3.4
397.21906	2.5
407.36716	49.7
407.42108	2.5
425.37704	7.3
431.18857	5.6
601.19080	3.0
601.41528	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	601.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.05510	17.5
57.03430	3.3
57.07064	4.3
62.41057	1.0
65.03930	3.3
67.05168	2.1
67.05505	27.5
68.77797	1.1
69.06715	2.2
69.07067	25.6
69.47757	1.7
69.48168	6.9
71.01343	4.3
71.08610	1.4
71.62183	1.2
73.02918	6.7
79.05495	14.0
81.06580	2.4
81.07060	46.8
83.08625	15.4
85.02906	19.0
91.04968	1.7
91.05482	18.8
93.06467	2.1
93.07049	33.8
95.01324	8.5
95.04965	2.2
95.08611	100.0
97.02882	1.3
97.10182	6.8
98.09681	9.9
98.21529	2.0
99.10019	2.1
101.02361	1.4
103.03970	2.1
103.05524	1.3
105.07030	34.5
107.08598	52.0
109.06556	1.3
109.10162	75.7
111.08064	1.7
111.11755	6.1
113.02382	8.1
117.07036	4.9
119.08585	52.5
121.10146	55.1
123.11711	27.6
130.07819	1.0
131.03438	4.9
131.08568	9.3
133.10124	39.9
135.11699	40.8
137.13252	8.0
141.01834	12.9
143.08575	3.4
144.09344	1.7
145.10120	16.6
146.10945	1.3
147.11687	35.7
149.13271	24.7
149.14320	0.9
151.11235	1.4
151.14838	1.1
157.10150	3.3
158.10864	2.1
159.02921	3.4
159.11693	21.4
161.13261	34.2
163.14819	25.8
171.11682	3.5
172.12387	1.2
173.13272	11.3
174.14073	1.4
175.14822	22.5
177.16397	30.6
179.17981	3.1
185.13293	3.4
187.14844	17.8
189.16393	67.8
191.17955	54.4
196.07353	11.4
197.07741	3.4
199.14902	1.9
201.16377	21.9
203.17964	38.3
205.19533	16.2
207.17505	5.9
213.16324	3.5
215.17976	15.7
217.19525	29.1
219.21054	6.8
221.19070	2.7
227.18011	2.9
229.19545	14.7
231.21063	8.4
241.19580	2.4
243.21132	8.1
245.22696	7.4
255.21100	2.8
257.22604	10.2
259.24197	1.6
265.62750	1.2
269.22672	6.3
271.24185	10.7
283.24176	2.1
285.25726	2.6
297.25775	12.2
311.27112	1.7
337.28766	1.2
365.31995	4.3
383.20825	1.4
407.36731	46.4
425.37537	5.6
491.30090	1.6
509.54828	1.0
583.39679	1.4
601.41022	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	601.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01871	1.5
57.03432	1.3
61.02911	1.2
65.03896	0.7
68.99787	0.9
69.03078	0.7
69.03432	10.2
71.05007	0.8
71.25885	1.1
73.02920	0.9
79.05506	1.3
80.01570	0.5
81.03421	5.3
81.14030	0.5
83.04961	0.8
84.67746	0.6
85.02904	10.4
87.00838	2.6
91.05492	3.2
95.04974	0.6
97.02892	4.4
99.04450	2.7
103.03924	0.9
103.88400	0.6
105.01859	1.7
105.07034	0.9
107.04951	1.2
109.02866	5.7
115.05438	1.3
116.06225	1.0
117.07014	1.0
119.04962	1.2
119.08537	0.7
121.06508	0.6
123.04418	1.6
125.05992	1.2
127.03925	9.5
128.06201	1.0
128.78731	0.6
129.07007	2.3
131.04927	1.3
131.08572	2.5
133.06482	0.9
134.10504	0.6
135.04352	0.7
138.03122	6.5
139.03958	0.7
141.07027	1.0
142.07828	1.1
143.08575	0.8
144.05705	2.0
145.04956	1.9
145.06490	2.2
145.10130	0.9
147.04422	5.5
153.05469	87.8
153.87521	0.6
157.10136	1.1
158.07288	0.7
159.02963	1.1
159.04408	2.2
159.08051	4.5
161.05934	1.4
161.09634	0.6
163.03946	1.0
165.05453	1.0
170.07320	1.4
171.08052	1.4
172.05176	1.0
173.05994	9.5
173.09636	0.6
177.05452	1.5
179.07059	3.7
183.08052	0.8
185.05957	2.6
185.09547	3.6
186.06850	2.7
187.07549	60.3
188.08328	16.7
188.10020	0.9
189.09125	3.0
195.06474	1.3
197.06047	1.2
198.06735	3.6
199.07521	9.0
200.08362	0.8
201.09111	63.2
203.10640	1.3
212.08461	0.6
213.09103	16.2
214.57544	0.6
227.10826	0.7
229.08669	2.0
231.04994	1.3
247.09732	2.3
294.83551	0.6
335.12726	1.3
344.46252	0.6
351.12302	0.9
353.13831	100.0
354.14175	2.0
365.14188	0.8
367.15216	4.3
377.13681	1.3
381.13364	0.8
391.13995	3.4
395.14868	5.1
419.15741	0.8
461.16241	0.9
515.19135	1.9
557.20313	1.8
601.19153	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	601.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78670	0.4
53.03942	2.3
55.01874	2.0
55.05497	0.6
57.03436	2.3
61.02919	1.5
65.03951	0.7
67.05498	1.7
68.99796	1.3
69.03432	15.9
69.07076	0.6
70.03859	1.6
70.06608	0.5
71.01342	0.4
71.04989	1.5
71.98418	0.4
73.02922	2.9
79.05489	2.6
81.03424	12.9
81.07059	2.1
83.04973	1.0
85.02912	21.1
87.00317	0.5
87.00834	7.6
89.58295	0.3
91.03986	0.4
91.05488	7.1
93.07056	1.4
95.04969	1.3
95.08598	1.4
97.02892	6.6
97.06523	0.7
97.10211	0.5
99.04467	4.6
99.92730	0.5
103.03925	1.3
103.05504	0.8
105.01871	5.4
105.03404	0.6
105.07043	1.5
107.04948	2.4
107.08584	1.0
109.02887	12.6
109.10142	1.7
110.03649	1.1
111.04413	0.5
112.51234	0.4
115.05470	1.1
116.06250	1.4
117.01863	0.8
117.07023	1.4
119.04935	1.3
119.08591	1.6
121.06516	0.6
121.10190	1.0
121.38263	0.4
123.04475	0.4
123.11665	0.6
125.05996	1.6
127.03924	20.1
128.06216	0.8
129.01849	1.9
129.06996	2.1
131.04953	1.1
131.08588	5.2
133.02896	0.9
133.06529	0.6
133.10129	1.0
135.04449	1.2
135.11708	0.7
137.06006	0.9
138.03116	6.9
141.07022	1.4
142.07866	0.6
144.05730	2.6
145.04961	5.8
145.06480	1.5
145.10081	1.0
147.02893	1.5
147.04434	4.7
147.11703	0.5
151.97006	0.4
153.05475	92.2
155.08591	1.1
157.10074	0.5
158.07295	1.0
159.02908	6.5
159.04410	3.6
159.08066	4.3
161.05969	0.6
163.03925	2.1
163.14795	0.6
165.05452	0.8
167.07042	1.3
167.08385	0.5
172.05144	1.1
173.06052	2.0
173.09680	1.0
175.07545	0.6
177.04012	0.5
177.05463	3.8
179.05577	0.7
179.07037	4.1
183.08151	0.5
185.06087	0.4
185.09590	0.9
186.06853	0.5
187.07555	100.0
188.08192	1.8
189.04048	2.0
189.09073	0.7
191.17892	0.6
195.06535	0.4
199.07567	1.7
201.09123	27.5
203.10680	0.5
211.07571	1.4
213.03937	1.0
213.09109	5.2
225.09065	1.2
226.03403	0.4
227.10767	0.5
229.08598	8.0
231.04973	3.7
241.08730	0.8
253.08644	0.8
255.10199	1.8
267.06723	0.4
267.10007	0.7
277.08685	0.6
288.80865	0.4
295.09808	1.1
297.07608	1.3
339.12115	0.5
351.12250	0.5
353.13861	14.7
365.13843	5.1
367.15421	5.0
377.13910	0.6
383.10068	1.0
395.14920	11.8
407.14764	0.5
417.11923	0.6
419.14758	1.0
435.12662	0.4
443.14459	0.7
454.24225	0.9
461.15579	1.3
479.16937	0.6
565.16614	1.0
583.18127	2.7
583.26434	0.4
601.18622	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	601.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01868	1.6
55.05495	0.5
55.43367	0.3
57.03437	2.1
61.02911	1.0
65.03930	0.9
68.99797	2.0
69.03433	11.6
70.61985	1.0
71.01357	0.6
71.04977	1.1
73.02934	1.7
76.02224	0.6
76.26264	0.3
79.05080	0.4
79.05493	2.5
80.30914	0.3
81.03418	6.7
83.04985	1.2
85.02908	11.9
87.00832	3.3
87.04480	0.6
91.05488	5.6
93.03312	0.3
93.07049	0.3
95.04981	0.9
95.08598	0.3
97.02890	4.8
97.40773	0.4
99.04463	2.8
103.03944	0.8
103.05466	0.9
105.01881	1.9
105.07018	1.6
107.04964	1.7
109.02882	6.6
110.03638	1.0
111.04463	0.5
115.03973	0.4
115.05450	1.1
116.01671	0.4
116.06236	1.3
117.01818	0.6
117.07050	2.1
119.04938	1.5
119.08573	1.4
121.02816	0.3
123.04414	0.5
125.05989	2.5
127.03922	11.2
128.06224	1.4
129.01860	0.8
129.07022	3.2
131.04913	1.6
131.08595	2.4
133.02855	1.4
133.06487	0.8
135.04478	0.4
137.05920	0.5
138.03130	9.1
141.06992	1.1
142.07805	2.1
143.08580	1.0
144.05705	3.0
145.04955	2.7
145.06488	2.5
145.10132	1.0
145.40546	0.3
147.02975	0.7
147.04417	8.0
149.06021	0.5
150.03146	0.4
152.06161	0.4
152.23413	0.3
153.05470	100.0
154.05782	0.4
155.08562	0.7
157.06519	1.4
157.10141	1.4
158.07265	1.2
159.02911	2.5
159.04411	2.9
159.08069	5.9
160.05197	0.4
160.08788	0.5
161.05995	2.4
161.09647	1.0
163.03954	0.5
163.59445	0.3
165.05469	0.9
165.06979	0.4
167.07069	0.6
167.08510	0.5
169.06462	0.9
170.07288	1.2
171.04401	1.2
171.08081	1.0
172.05141	1.6
173.05988	10.5
173.09601	1.6
174.06866	0.4
175.07497	0.8
177.05524	1.7
179.04848	0.8
179.07031	4.3
183.08052	0.3
185.06006	3.1
185.09621	5.1
186.06764	3.5
187.07552	65.3
188.08328	14.7
189.03955	0.5
189.09117	4.3
191.06972	0.5
197.06030	0.7
198.06779	4.2
199.07562	6.6
200.08299	0.4
201.09113	76.3
202.09608	1.6
203.10683	3.4
205.08855	0.4
211.07571	0.8
212.08331	0.5
213.09116	21.8
215.10753	1.2
222.26657	0.3
225.09189	0.3
227.10683	1.9
229.08618	2.8
231.04990	1.5
237.09003	0.5
247.09630	3.3
253.08702	0.4
273.11136	0.6
291.10196	0.4
293.11761	0.4
295.09601	0.7
303.10187	0.7
307.13196	0.3
321.11124	0.6
323.09241	1.2
335.12827	1.2
338.11438	0.7
339.12125	0.6
351.12204	0.8
353.13837	91.6
354.14194	1.5
365.13806	1.4
367.15417	9.2
373.12668	0.4
377.13821	1.8
381.13321	0.6
391.13751	2.5
395.14819	5.0
413.16165	0.4
419.15164	0.6
461.16138	0.8
497.18484	1.9
511.19559	1.9
515.19318	4.1
521.17847	0.9
529.20654	1.3
539.19232	1.1
557.20319	1.1
565.17126	0.6
583.18213	0.8
601.19165	43.5
602.19501	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
54.47306	0.5
55.01849	1.1
55.05482	2.3
57.03396	1.6
67.05518	5.3
68.99779	1.3
69.03439	5.8
69.07082	3.4
69.37511	0.6
71.04974	0.6
71.55572	0.6
72.08117	0.7
73.02876	1.3
79.05518	2.8
80.64325	0.5
81.03440	5.1
81.07069	4.9
83.04936	0.8
83.08603	1.0
85.02917	6.8
85.06474	0.6
87.00802	1.5
91.05483	5.9
93.07054	2.9
95.04926	1.6
95.08616	7.6
96.04475	0.9
97.02873	2.6
97.06491	1.2
97.10135	0.7
99.04422	1.3
101.02334	0.7
103.05422	0.9
105.07030	4.5
107.01284	1.8
107.04925	1.4
107.08600	5.2
109.02914	3.6
109.06493	0.8
109.10170	6.5
115.05421	0.9
117.07011	1.0
119.04893	1.7
119.08617	4.7
121.06493	0.8
121.10143	4.8
123.04455	0.7
123.11665	2.0
125.06001	1.0
127.03916	5.3
129.06990	1.4
130.07643	0.6
131.04893	1.6
131.08537	2.4
133.02902	0.9
133.06506	1.2
133.10176	3.6
135.04410	1.6
135.11696	3.1
137.02261	0.6
137.05966	0.8
138.03128	4.1
142.07759	1.1
143.08658	0.6
144.05666	1.2
145.04941	0.8
145.06465	1.2
145.10114	2.4
147.04439	4.0
147.07986	0.7
147.11720	3.0
149.05962	0.9
149.13222	1.4
151.11191	0.7
153.05476	36.8
157.10098	1.7
159.02864	1.4
159.04375	1.3
159.08009	2.4
159.11659	1.7
161.05966	1.8
161.09641	0.9
161.13263	2.6
163.03940	1.7
163.14851	1.0
165.01804	0.9
173.06023	4.5
173.13243	1.6
175.07518	0.8
175.14789	1.9
177.05457	1.4
177.16364	2.6
179.06970	0.7
181.06396	0.8
183.02898	10.5
185.05957	1.1
185.09621	2.1
186.06728	0.9
187.07561	27.8
187.14784	0.7
188.08356	4.8
189.03847	0.6
189.09152	1.6
189.16394	4.1
191.17947	2.6
195.08020	1.2
198.06735	1.9
199.07523	2.5
201.09129	26.4
201.16357	1.3
202.09586	0.6
203.07072	0.9
203.10782	1.4
203.17921	2.5
205.19524	1.0
211.07610	1.1
213.09123	8.6
215.10721	0.7
215.17827	0.8
217.19518	1.5
223.07504	0.9
227.07025	1.2
229.08510	1.2
229.19395	0.8
231.04907	0.7
241.08636	1.5
247.09566	1.5
254.05840	1.0
269.08020	3.8
285.07602	2.0
297.07593	51.1
298.08310	3.1
300.49100	0.7
309.07571	0.6
353.13852	100.0
354.14203	1.4
367.15466	3.1
377.13858	0.9
391.13629	0.8
395.14914	2.4
407.36578	2.2
413.16010	0.6
420.32339	0.7
511.19714	0.8
515.19147	2.4
529.20502	0.8
557.20349	1.1
601.19189	23.9
601.40802	2.9
602.19568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.0
57.07079	73.8
59.05002	19.7
65.82832	2.0
67.05506	9.0
69.03440	4.5
69.07076	7.7
71.08636	70.3
71.30179	2.3
71.30528	3.5
73.06582	2.9
79.05509	10.2
81.07052	14.3
83.04967	4.5
83.08614	7.2
85.06552	2.3
85.10187	67.2
87.04478	11.0
89.06035	100.0
91.05491	12.8
93.07046	17.4
94.07365	2.6
95.04963	7.0
95.08600	11.7
97.06544	3.3
97.10164	2.9
99.11743	9.9
103.07591	3.8
105.07043	28.4
106.07339	4.2
107.07060	4.4
107.08602	13.2
109.06515	4.8
109.10167	9.4
113.13268	3.0
116.07101	3.8
117.07050	4.5
117.09173	3.8
119.08582	23.5
121.06550	3.3
121.10127	16.4
123.08044	5.9
125.09634	2.0
128.06204	6.4
129.06987	6.5
130.08685	3.6
130.38715	2.2
131.07062	3.5
131.08574	11.1
132.09416	2.5
133.08618	79.3
133.10089	13.5
135.08060	2.9
135.11679	4.3
137.09589	3.7
141.16399	7.5
142.07837	4.9
143.08575	12.6
145.10146	14.7
147.08017	5.9
147.11786	5.0
149.09631	6.4
151.07587	3.0
155.08522	5.8
155.18004	4.6
156.09326	3.3
157.10191	12.5
158.10910	2.9
159.08093	5.7
159.11684	7.7
161.09598	3.6
163.11186	2.8
165.07022	2.9
165.09084	3.6
167.10706	9.6
169.10152	8.7
171.08061	3.2
171.11723	6.5
173.13315	3.6
175.09735	3.2
175.11200	2.3
175.14836	5.5
177.11234	25.6
179.08549	2.4
181.10118	3.2
183.11720	7.0
184.12297	2.8
187.14873	2.6
193.10178	2.3
194.10771	2.7
195.11729	6.4
197.13255	6.1
199.14967	3.2
199.20586	7.5
203.14281	3.9
207.11737	3.9
209.13274	3.5
211.14856	3.6
218.16545	2.5
221.02596	2.5
221.13489	5.3
221.15465	8.0
222.15834	2.9
223.14809	5.5
228.18248	2.1
233.15346	7.3
234.15738	3.6
239.14987	2.9
257.24802	4.1
281.18802	2.5
283.17572	3.3
302.09146	2.3
309.18484	3.2
327.20010	11.2
352.24094	2.1
371.22693	8.7
415.25436	9.1
582.40283	3.0
586.23352	2.3
600.41119	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03403	2.7
51.02421	3.0
53.03942	7.3
55.05512	21.3
57.07066	8.8
59.04998	2.7
63.26591	2.7
65.03951	5.6
67.05511	26.0
69.03430	11.9
69.07066	17.9
70.21228	2.4
70.81662	7.7
71.04979	5.5
79.05495	35.2
81.07053	36.5
83.04999	16.8
83.08609	13.0
85.06549	10.6
87.25424	2.4
89.06013	5.7
91.05481	58.8
93.07047	61.0
95.04961	23.7
95.08603	33.3
97.06509	15.5
103.05484	4.8
105.07031	100.0
107.08595	65.8
109.06526	19.1
109.10152	28.8
109.33392	2.9
111.08090	7.7
113.09605	5.1
115.05438	8.4
116.06232	3.8
117.07041	20.1
119.08576	78.3
121.06503	14.8
121.10143	52.0
122.07250	3.3
123.08070	28.4
123.11735	5.1
125.09626	11.6
126.84531	2.7
128.06213	16.6
129.07014	25.0
130.07774	7.1
131.08565	46.1
132.09299	2.6
133.06480	5.4
133.08615	6.0
133.10123	45.4
135.08055	20.3
135.11676	10.7
137.09610	11.3
139.11188	7.4
141.06992	15.5
142.07788	34.3
143.08566	47.8
144.09367	14.5
145.06462	9.4
145.10123	80.5
146.83061	2.6
147.08044	13.4
147.11685	22.7
149.09666	15.4
149.13254	5.2
151.07562	6.5
151.11195	3.7
153.07002	7.6
154.07780	7.2
155.08562	23.1
155.10677	9.4
156.09363	26.7
157.10133	69.2
158.07327	3.9
158.10895	11.4
159.08083	23.3
159.11691	44.9
160.08817	7.9
161.09628	17.1
161.13260	10.2
163.11194	8.4
165.06993	8.2
165.09135	6.9
166.07791	7.8
167.08565	11.0
167.10686	13.3
168.09375	10.0
169.10106	34.0
170.10941	13.2
171.08012	3.5
171.11687	44.2
172.08702	3.4
173.09607	9.8
173.13284	22.5
175.11163	15.1
175.14790	5.6
177.09123	3.0
177.12709	3.6
179.08545	16.4
179.14253	2.8
180.09357	8.4
181.10120	23.4
181.12190	5.7
182.10873	13.5
183.11722	30.5
184.12352	6.7
185.09619	5.8
185.13260	22.9
187.11205	10.2
187.14835	11.8
189.12764	6.9
190.13449	3.6
191.08575	3.3
191.14349	6.7
192.09251	6.1
193.10158	23.1
193.11734	3.8
194.10921	10.1
195.11703	29.2
196.12476	9.8
197.09697	3.3
197.13269	27.1
198.90021	3.0
199.11205	8.7
199.14835	17.2
200.15358	2.6
201.12842	8.1
203.14297	12.7
205.10162	5.7
206.10896	6.6
207.11746	20.4
207.13641	4.8
208.12434	6.8
209.13249	28.8
210.14017	6.1
211.11310	5.9
211.14786	18.1
213.12762	8.9
213.16393	8.2
215.14334	11.4
219.11763	7.9
220.12589	6.6
221.13245	16.2
221.15407	18.4
222.13971	4.0
223.14780	21.1
225.12730	7.8
225.16403	6.6
227.14334	8.0
229.10338	2.8
229.15942	5.9
231.11746	4.8
232.12454	5.2
233.13191	8.9
233.15422	22.6
234.13992	4.3
234.16212	5.5
235.14783	10.5
236.15541	4.0
237.16417	16.3
241.16017	4.5
243.17365	3.5
245.13260	6.4
246.14043	5.5
247.14774	9.5
248.02235	2.8
249.16370	6.7
251.18073	5.1
253.15929	7.5
255.17465	32.2
257.13214	5.5
257.19153	4.0
259.14651	5.1
260.15717	3.8
261.16397	8.0
263.17920	6.7
265.16010	3.4
265.19550	4.1
269.18991	8.3
270.19803	8.5
273.18622	4.9
281.19049	9.7
282.19714	4.3
283.20459	3.1
287.17593	4.0
297.16211	3.4
297.21875	3.4
305.18942	3.6
322.92667	2.9
347.23874	3.4
365.24561	7.1
383.25677	8.6
559.51868	3.1
582.39978	4.4
583.12256	2.9
593.28015	2.8
600.41174	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01858	2.4
55.05508	19.9
57.07077	9.2
59.04991	3.5
65.03933	3.6
67.05178	3.5
67.05507	43.8
69.03444	13.4
69.07059	19.5
70.06590	3.8
71.04990	6.4
71.06593	2.2
71.06928	3.3
77.03902	2.3
79.05496	34.5
80.06241	2.3
81.03435	2.3
81.07063	41.3
83.04984	20.8
83.08622	14.1
85.06532	5.9
86.51983	2.1
87.04479	3.0
89.06013	3.9
90.77782	2.1
91.05479	63.7
93.06473	3.7
93.07050	67.5
95.04974	28.1
95.08605	33.1
97.06522	15.5
102.58876	1.9
103.05451	4.0
105.04524	3.5
105.07030	100.0
107.04951	5.1
107.07861	4.2
107.08594	70.7
109.06531	18.9
109.10156	37.1
111.04430	2.6
111.08065	7.4
113.09682	5.0
115.05449	10.3
116.06287	2.4
116.07079	6.9
117.07018	24.0
118.07827	3.1
119.08586	85.5
120.09371	3.8
121.06509	13.8
121.10148	51.6
122.83322	2.0
123.08074	32.6
123.11705	6.0
125.05949	1.8
125.09631	13.8
128.06235	18.9
129.07024	28.7
130.07800	10.7
131.08574	56.3
132.09364	4.3
133.06488	7.5
133.07680	1.9
133.08612	4.4
133.10138	52.8
134.10516	1.9
135.08075	17.9
135.11707	11.1
136.08878	2.6
137.09608	10.7
139.11180	4.1
141.07004	14.3
142.07780	35.3
143.07492	4.0
143.08569	56.4
144.09372	11.3
145.06483	7.7
145.10126	73.8
146.10905	3.5
147.08069	19.5
147.11679	25.0
148.08809	2.6
149.09608	17.1
151.07556	7.0
153.07004	9.9
153.09120	1.8
154.07782	6.5
155.08563	27.2
155.10596	12.9
156.09346	26.1
157.10130	78.8
158.10938	13.5
159.08060	21.8
159.11691	45.4
160.08810	6.9
161.09622	20.2
161.13225	10.1
163.11244	11.1
165.06953	13.7
165.09077	8.8
165.12828	2.6
166.07770	7.0
167.08562	12.9
167.10670	16.7
168.09364	9.2
169.10118	34.3
170.10880	11.4
171.08047	2.7
171.11697	42.2
172.08838	2.8
172.12463	5.8
173.09641	12.5
173.13284	22.5
174.10298	2.3
175.11195	17.5
175.14838	5.8
177.09093	2.6
177.12701	3.0
178.07719	4.8
179.08612	14.5
180.09363	9.1
181.10110	23.5
181.12244	5.2
182.10890	15.5
183.11693	31.6
184.12425	8.4
185.09636	7.7
185.13246	28.5
186.13950	3.6
187.11220	9.2
187.14795	12.1
188.11816	2.9
189.12740	7.8
190.13474	5.6
191.08606	2.8
191.14294	5.9
192.09422	4.7
193.10133	18.4
193.11989	3.3
194.10916	14.2
195.07990	2.1
195.11705	35.6
195.13443	3.7
196.12453	12.9
197.09608	5.6
197.13258	32.7
198.13927	4.1
199.11218	11.6
199.14810	15.8
200.11929	2.6
201.12630	7.5
201.16386	4.4
203.14326	17.1
205.10139	5.9
205.12225	2.2
206.10886	8.3
207.11661	23.7
207.13695	4.7
208.12517	11.9
208.14218	1.8
209.13298	29.0
209.15158	2.7
210.10358	2.7
210.13962	7.5
211.11191	6.6
211.14816	26.2
212.11925	3.2
212.15508	2.6
213.12741	13.1
213.16389	8.1
215.14276	10.7
217.10086	5.8
217.15900	5.0
218.10930	4.4
218.16679	2.8
219.11658	8.6
219.13629	3.8
220.12419	6.4
221.13249	15.7
221.15387	22.8
222.14018	6.8
223.11263	4.5
223.14815	22.5
224.15593	2.9
225.12746	7.8
225.16374	12.8
227.14290	7.5
227.17926	3.2
228.14964	2.0
229.10014	3.2
229.15788	3.1
230.10814	2.7
231.11658	8.1
231.13779	2.6
232.12471	4.9
232.14607	2.0
233.13188	8.7
233.15385	26.4
234.13998	4.0
234.16107	5.9
235.14832	13.4
235.16895	2.6
237.12770	3.5
237.16440	19.1
239.14426	4.9
239.17853	3.6
241.15930	4.3
243.11772	2.5
245.13228	5.2
246.14081	5.3
246.16252	2.7
247.14780	8.2
247.17085	4.9
248.15613	4.1
249.16382	8.6
250.16997	2.4
251.18018	6.3
253.15880	5.2
255.17441	40.7
257.13214	3.0
257.19000	2.3
259.14816	7.3
260.15588	3.0
261.16266	9.2
263.17883	10.7
265.15738	3.5
265.19461	7.4
267.17453	4.0
269.19003	8.8
270.19708	6.1
273.18552	7.5
274.19376	2.9
275.17831	3.0
277.19540	4.3
279.17502	4.5
281.18991	7.5
282.19669	3.4
285.18793	3.4
286.19348	6.5
287.20059	7.1
289.19534	4.5
293.18942	3.0
294.19678	3.7
295.20477	5.4
299.20090	6.1
307.20505	3.9
315.21075	4.8
319.20514	3.1
345.22055	2.4
347.23712	4.4
352.23911	2.5
359.23343	2.2
365.24725	6.9
383.25589	5.9
457.30743	2.6
502.34985	2.0
544.58807	2.4
567.38525	3.7
600.41864	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.9
55.05515	24.7
57.07078	89.4
57.47211	2.7
59.05004	15.0
59.18365	2.7
65.03939	8.1
66.72280	2.7
67.05505	34.3
69.03432	21.2
69.07068	19.9
69.64326	19.7
71.04981	7.0
71.08634	63.7
76.77482	3.0
77.03926	4.7
79.05499	38.5
81.07051	45.5
83.04978	15.6
83.08610	15.2
85.06546	10.7
85.10187	40.4
87.04462	8.4
89.06037	84.3
91.04966	5.1
91.05486	69.8
93.07047	79.0
95.04977	25.7
95.08620	31.1
97.06542	18.5
97.10168	4.1
97.52212	2.6
99.08113	3.6
99.11738	9.8
103.05461	7.5
103.07578	6.1
105.07033	100.0
106.07876	4.0
107.05002	2.7
107.08601	77.8
109.06525	21.3
109.10158	39.8
111.08068	6.7
113.09648	5.0
115.05447	10.3
116.06225	4.2
117.07023	32.0
117.09222	2.8
119.08583	90.8
121.06535	17.3
121.10151	62.9
123.08073	34.7
123.11671	4.0
125.09645	19.8
128.06253	17.1
129.07014	27.1
130.07758	11.9
131.07072	3.9
131.08566	51.4
132.09355	5.7
133.06483	6.7
133.08623	59.3
133.10126	56.9
135.08046	18.8
135.11703	18.3
137.09647	16.4
139.11194	6.7
141.07013	16.1
142.07779	44.9
143.08572	64.3
144.09375	16.9
145.06470	8.0
145.10127	80.2
146.10928	6.4
147.08083	16.9
147.11699	26.0
149.09633	21.1
151.07552	9.3
153.06932	5.8
154.07785	7.4
155.08574	24.4
155.10628	14.8
155.17993	5.8
156.09348	32.2
157.10139	88.5
158.10939	13.8
159.08063	28.6
159.11700	57.0
159.13010	4.4
160.08917	7.3
160.12451	3.6
161.09636	20.6
161.13225	9.1
162.10410	3.7
163.11176	11.7
165.06981	12.2
165.09125	12.7
166.07784	4.9
167.08546	13.3
167.10667	19.2
168.09354	8.4
169.10150	39.0
170.10916	13.0
171.08028	5.4
171.11687	56.5
172.08818	3.7
172.12352	4.3
173.09656	11.7
173.13261	31.0
175.09744	5.3
175.11140	22.6
175.14839	10.5
177.11232	26.3
177.12737	6.5
178.07744	4.0
179.08575	20.6
180.09363	7.1
181.10109	23.3
181.12270	6.9
182.10963	16.0
183.11697	37.4
184.12514	5.2
185.09671	3.3
185.13271	25.8
186.13985	3.6
187.11208	11.3
187.14810	10.5
189.12704	8.9
190.13577	7.0
191.14336	6.0
192.09367	6.6
193.10149	20.5
193.11975	5.2
194.10896	13.8
195.11707	37.9
196.12471	11.5
197.09563	3.8
197.13271	40.2
198.10399	3.2
199.11176	8.2
199.14836	12.4
201.12737	11.5
201.16429	5.2
203.14291	14.8
205.10135	5.7
206.10985	10.2
207.11684	27.8
207.13701	8.2
208.12506	15.0
209.13318	27.3
209.15199	6.1
210.14119	7.3
211.11147	7.9
211.14804	27.2
212.15361	4.2
213.12802	14.5
213.16406	8.5
214.13504	2.7
215.14281	13.3
216.14949	3.1
217.10127	6.8
218.16707	4.0
219.11687	12.3
219.13689	3.6
220.12404	8.2
221.13289	24.6
221.15407	25.1
222.14110	5.2
223.14754	24.0
225.12730	10.5
225.16281	13.9
227.14293	11.7
227.18011	4.5
229.15868	8.6
230.10844	3.9
231.11584	5.1
233.13225	10.2
233.15401	24.4
234.14012	6.1
234.16168	7.2
235.14816	17.3
237.12817	4.7
237.16417	22.6
239.14465	4.5
241.15880	6.8
243.17137	3.5
245.13187	5.2
246.13934	5.2
247.14839	12.4
249.16399	13.0
251.14468	3.4
251.17868	7.5
253.15958	8.2
253.19501	5.2
255.17458	46.0
257.24704	4.0
257.49258	3.4
258.14032	6.1
259.14798	6.1
260.15826	3.9
261.16342	7.2
263.17999	11.1
265.16306	4.9
265.19434	6.4
267.17432	5.3
269.19028	9.1
270.19705	7.7
271.17151	4.9
273.18680	6.5
275.17856	5.2
277.19427	4.4
279.17465	8.0
281.18948	10.1
282.19742	4.1
283.20581	5.5
285.18695	5.6
289.19470	6.0
293.18921	4.4
295.20532	5.5
297.18524	4.0
299.20190	5.3
307.20389	3.4
311.20316	6.4
347.23761	5.9
360.24850	3.5
365.24817	6.8
371.22919	17.1
383.25778	5.6
415.25925	4.4
458.64951	2.9
582.40643	3.9
600.41174	11.6
623.26917	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.05504	11.7
57.07071	13.4
59.05000	6.9
67.05519	26.0
69.03424	15.5
69.07056	12.4
71.21072	4.1
79.05500	28.9
79.45148	3.7
81.07064	42.1
83.04969	16.8
83.08606	5.7
85.06548	7.1
89.06040	3.9
91.05485	50.0
93.07050	61.4
95.04954	23.3
95.08607	39.6
97.06512	9.7
99.71567	3.5
100.14822	3.4
100.41388	3.5
103.05393	4.4
105.07038	84.3
107.08602	59.5
109.06545	19.1
109.10159	14.0
110.23775	3.3
111.08086	3.9
115.05451	8.6
116.06236	6.0
117.07005	22.0
119.08591	78.2
119.22809	3.0
121.06508	14.5
121.10152	55.3
123.08079	28.3
125.06023	10.2
125.09673	7.1
128.06209	12.6
129.06999	30.6
130.07794	11.4
131.08585	47.1
132.09364	7.1
132.44989	3.4
132.49574	3.0
133.06500	13.3
133.07620	2.9
133.10144	46.7
135.08061	23.1
135.11667	11.8
137.09651	18.8
139.07535	7.4
141.06993	8.8
142.07790	31.0
143.08572	53.4
144.09320	14.2
145.06552	5.8
145.10133	73.2
147.08041	43.0
147.11697	16.6
149.09630	19.5
151.07561	26.6
153.09079	4.8
155.08553	24.7
156.09396	23.4
157.10138	78.7
158.10899	11.3
159.08105	15.9
159.11716	39.0
161.09673	24.7
161.13303	7.1
163.11162	23.8
165.06984	9.1
165.09143	48.2
167.08604	12.5
167.10670	15.5
168.09377	7.7
169.10135	29.4
170.10867	11.6
171.08003	4.5
171.11688	40.9
172.12511	5.0
173.09695	16.7
173.13304	16.5
174.10475	4.8
175.11169	20.0
175.14861	4.0
176.11971	6.1
177.09094	7.0
177.12793	6.7
179.08588	11.2
180.09334	5.7
181.10133	20.6
181.12230	21.5
182.10954	10.4
183.11694	24.6
184.12445	4.0
185.09634	6.8
185.13303	17.8
187.11176	10.0
187.14861	8.8
189.12741	19.5
190.13541	8.3
191.14232	4.8
192.09331	7.7
193.10139	12.4
193.12257	8.7
194.10852	9.4
194.12988	3.7
195.11702	28.7
195.13564	7.1
196.12454	10.9
197.09731	3.7
197.13272	18.2
199.11211	9.7
199.14801	7.3
201.12791	5.0
203.14351	27.5
205.10170	7.1
205.12178	4.0
206.10907	5.1
207.11731	19.8
207.13824	24.4
208.12413	8.8
208.14531	7.7
209.13271	29.0
209.15193	6.0
210.14024	6.0
211.11182	10.5
211.14810	14.4
212.11951	4.0
213.12852	15.8
217.15944	3.5
219.11731	9.8
219.13795	7.9
220.12480	6.9
221.13284	10.4
221.15358	100.0
223.14828	11.4
225.12708	8.5
225.16400	9.4
227.14273	5.7
229.15958	5.7
231.11713	8.4
233.13266	10.3
233.15417	19.4
234.14041	4.5
234.16154	11.9
235.14801	10.2
235.16931	4.2
237.12668	3.9
237.14764	39.8
239.14348	6.4
239.17834	4.2
245.13223	4.4
246.14154	3.7
247.14833	6.1
247.17052	12.2
248.14078	10.0
249.16374	9.9
251.14188	3.9
253.16048	7.1
255.17526	14.9
261.16370	5.0
265.16086	3.2
265.19388	4.3
267.17596	7.1
269.18884	4.2
270.19891	4.1
271.16962	8.1
273.18741	6.3
274.19269	12.5
279.17520	6.9
281.18933	7.9
285.18585	8.1
286.19321	18.1
287.20001	8.8
291.21188	5.3
293.18835	5.4
294.19601	8.4
295.20444	6.3
297.18646	4.7
299.19998	14.8
303.19540	45.1
307.20538	5.7
311.19971	10.0
312.20819	8.4
313.21512	15.1
319.20953	4.4
325.21628	35.1
333.22113	6.2
337.21597	11.1
352.23965	69.2
365.24771	47.7
377.24796	4.0
378.25266	4.2
383.25842	5.5
417.06561	3.7
487.31631	5.2
502.34375	11.0
503.34805	6.1
507.34943	33.8
520.35449	33.4
582.40686	6.4
583.41486	4.3
585.38947	7.4
600.41461	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28513	2.3
53.03947	7.1
55.01891	2.5
55.05516	12.2
55.48225	2.5
55.51829	2.5
57.07069	10.7
59.04988	2.8
65.03936	6.3
67.05512	18.4
69.03442	14.7
69.07067	13.8
70.70061	6.8
74.89462	2.5
79.05500	29.9
80.47443	2.5
81.03455	3.2
81.07067	33.2
83.04982	14.5
83.08606	3.9
85.06552	7.2
90.68731	2.3
91.05483	43.8
93.07047	60.4
95.04977	22.5
95.08604	35.3
97.06512	8.5
103.05482	5.7
105.07040	89.5
107.04962	4.8
107.08606	51.6
109.06519	18.3
109.10168	18.3
111.08121	4.4
114.17744	2.3
115.05446	6.6
117.07031	24.9
119.04998	3.6
119.08590	76.7
120.09379	3.2
121.06518	17.1
121.10139	47.4
123.08102	26.3
123.11678	6.0
125.06006	5.7
125.09624	8.3
128.06207	15.5
129.07016	23.5
130.07809	6.5
131.08583	40.4
132.09335	5.0
133.06506	8.3
133.10144	38.1
135.08069	22.1
135.11713	10.8
137.09648	15.4
139.07629	3.0
141.06996	9.5
142.07791	26.9
143.08572	46.8
144.09343	8.1
145.06512	4.8
145.09052	4.3
145.10141	64.1
146.10884	3.7
147.08061	36.2
147.11688	11.2
149.09616	20.3
151.07582	23.3
151.11229	3.9
153.07021	6.0
154.07887	2.8
155.08556	18.9
156.09360	19.2
157.10130	66.4
158.10887	6.4
159.08086	17.6
159.11719	39.7
160.08824	5.5
161.09622	20.9
161.13281	7.9
163.11168	15.2
165.06999	6.2
165.09120	49.2
166.09312	2.6
167.08591	7.7
167.10628	14.9
168.09306	4.9
169.10139	26.0
170.10922	12.5
171.08110	4.9
171.11717	40.1
172.08835	4.6
172.12454	6.5
173.09642	10.6
173.13292	18.0
175.11217	22.4
177.09212	5.7
177.12758	3.8
179.08594	8.1
179.10692	5.6
180.09352	5.6
180.11459	3.9
181.10130	14.1
181.12248	7.2
182.10864	7.1
183.08090	3.1
183.11702	23.6
184.12460	7.3
185.09622	5.4
185.13280	22.1
186.10370	3.9
187.11212	10.1
187.14935	7.2
189.12782	13.4
190.13602	11.9
191.08606	3.5
191.10631	3.5
191.14288	4.0
193.10178	14.9
193.12210	9.6
194.10919	9.2
195.11780	23.3
195.13554	4.3
196.12445	6.2
197.09789	5.8
197.11716	3.2
197.13312	22.6
198.10368	3.8
199.11220	9.7
199.14830	8.5
201.12814	11.1
203.14320	28.2
205.10208	5.5
206.11005	7.9
207.11731	13.2
207.13832	17.0
208.12428	8.4
208.14600	9.4
209.13286	15.9
209.15242	4.6
210.14073	4.5
211.11220	6.8
211.14792	13.2
213.12788	11.0
213.16374	3.6
215.14311	5.9
217.12247	3.5
218.16852	3.2
219.11856	6.5
219.13870	8.2
220.12563	4.1
221.13324	10.0
221.15372	98.2
222.13983	5.5
223.11115	2.8
223.14882	8.6
225.12820	6.3
225.16347	8.8
227.14255	4.5
229.16032	3.9
230.13007	3.2
231.11687	3.6
232.12399	3.8
233.13257	7.5
233.15424	24.2
234.14043	5.5
234.16072	13.0
235.11237	3.5
235.14825	10.4
237.12759	5.3
237.14693	29.9
239.14212	6.3
241.15974	3.7
245.13260	4.0
246.14082	3.0
247.14977	4.7
247.17018	8.6
248.13947	12.5
249.16368	8.6
251.14343	6.3
251.16458	3.3
253.15849	4.6
255.17430	25.9
257.15451	4.2
259.17017	4.4
261.16302	4.4
263.18231	3.9
265.16098	2.7
266.16730	3.1
267.17484	4.4
268.18307	3.2
269.19064	5.8
270.19888	6.2
271.16974	9.9
273.18710	3.7
274.19278	11.7
279.17404	7.2
281.18945	5.6
285.18649	5.9
286.19434	14.3
287.20114	11.1
293.19101	2.9
294.19910	8.0
295.20532	6.0
297.18549	6.0
299.20334	14.6
303.19537	57.8
307.20566	4.4
309.21851	4.2
310.19339	3.3
312.20917	7.3
313.21805	19.0
319.20563	3.7
325.21655	17.0
337.21603	15.7
351.23447	2.8
352.23981	100.0
364.23691	3.1
365.24783	22.7
377.24609	6.7
383.25851	7.5
420.30548	3.6
487.32297	3.7
502.34305	11.9
503.35339	5.8
505.33426	4.8
507.34808	13.4
508.34732	8.6
520.35425	50.6
583.41235	5.6
585.39929	3.7
599.20331	2.9
600.41559	29.1
625.87622	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.1
55.05510	20.7
57.07071	15.1
59.04991	6.4
61.10524	3.2
65.03935	5.7
67.05512	30.0
67.25377	3.3
69.03442	19.8
69.07066	13.4
70.06594	5.7
70.89606	3.0
71.21843	7.6
79.05502	34.0
81.07066	29.1
83.04993	19.3
83.08622	10.4
85.02911	3.4
85.06548	9.2
87.04504	3.5
91.05486	60.7
93.07055	80.6
94.95558	3.0
95.04983	26.8
95.08619	39.1
97.06513	11.3
99.81743	3.1
103.05484	7.0
103.99532	3.3
105.07036	100.0
107.04950	4.2
107.08604	66.8
109.06537	21.8
109.10166	20.8
111.08086	8.8
113.09654	4.0
115.05488	5.7
116.07081	4.9
117.07030	21.6
119.08588	92.2
120.09435	6.0
121.06506	16.1
121.10143	53.7
123.08087	30.9
123.11720	6.0
125.06007	6.2
125.09621	10.5
128.06198	20.6
129.07008	26.7
130.07793	15.1
131.08580	49.4
132.09341	5.7
133.06520	7.1
133.10129	50.9
135.08063	24.4
135.11687	14.3
137.09641	15.1
139.11227	4.7
141.07001	9.1
142.07776	31.2
143.08560	60.6
144.09407	19.8
145.06468	7.5
145.09033	6.5
145.10127	82.5
146.07219	5.0
146.10942	3.7
147.08052	32.4
147.11693	18.7
149.09647	17.9
151.07521	16.8
153.07031	5.5
153.12703	3.3
154.07733	7.4
155.08559	23.8
155.10562	5.1
156.09343	25.8
157.08885	2.7
157.10129	82.1
158.10925	13.1
159.08046	23.0
159.11699	43.1
160.08882	4.1
161.09610	20.0
161.13263	9.1
163.11171	15.5
165.07022	8.2
165.09116	28.7
167.08600	9.0
167.10686	14.6
168.09384	12.7
169.10147	34.6
170.10921	19.0
171.08041	6.0
171.11731	41.8
172.12456	7.5
173.09631	16.7
173.13295	22.3
175.11163	19.5
175.14842	10.7
177.09100	4.5
177.12761	8.1
179.08574	13.4
179.10684	6.9
180.09312	11.5
181.10147	25.0
181.12206	9.1
182.10933	11.9
183.11703	38.4
184.12408	3.8
185.09628	7.3
185.13295	29.5
186.13995	4.3
187.11230	17.8
187.14815	8.6
189.12755	12.2
190.13528	9.2
191.10660	4.3
191.14368	6.1
193.10144	12.6
193.12273	14.2
194.10938	11.7
195.11725	30.1
196.12524	7.6
197.13208	26.4
199.11121	15.3
199.14830	13.6
201.12770	12.0
203.14320	24.9
205.10010	5.7
206.10898	9.6
207.11687	22.0
207.13805	12.7
208.12584	8.4
208.14616	6.3
209.13326	31.3
209.15222	4.5
210.13969	7.1
211.11186	6.0
211.14801	17.7
213.12746	14.5
213.16325	5.0
215.14339	9.2
217.16043	4.7
219.11656	6.8
219.13727	4.7
220.12384	5.4
221.13240	16.1
221.15337	77.9
223.11186	6.6
223.14885	12.4
225.12753	9.5
225.16328	7.0
227.14282	6.4
229.15997	5.8
231.11824	5.9
232.12460	5.0
233.13249	10.8
233.15419	30.2
234.13965	7.1
234.16135	11.8
235.14851	15.0
235.16998	5.8
237.12723	6.3
237.14886	26.4
237.16914	4.9
241.15869	4.7
247.14879	7.4
247.17044	10.4
248.14127	9.0
249.16391	12.8
251.14241	4.3
251.17978	4.8
253.15956	5.5
255.17471	34.3
257.18802	3.8
261.16293	8.4
263.18170	8.0
265.19376	4.3
267.17389	4.7
269.19016	6.9
270.19846	11.7
271.17151	4.3
273.18683	6.4
274.19290	14.7
277.19485	4.1
281.19012	12.5
285.18622	6.4
286.19333	11.3
287.20151	10.6
289.15775	3.3
289.19379	6.1
295.20398	5.4
297.18643	4.7
299.20276	17.3
303.19498	39.9
307.20535	4.9
312.20853	6.0
313.21512	10.1
319.20627	4.6
325.21591	16.6
333.22250	4.6
337.21664	10.8
347.23520	4.7
352.23975	74.2
365.24722	14.9
377.24619	5.3
383.25900	9.0
419.29437	4.6
502.34348	10.8
503.35370	4.0
505.33148	3.7
507.34552	11.4
520.35443	35.5
567.38654	3.9
582.40704	4.5
585.39252	4.3
600.41638	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
55.05500	12.3
57.07073	12.3
59.04979	2.9
61.41618	2.9
61.61550	2.6
65.03934	4.4
67.05506	21.9
69.03428	17.0
69.07067	14.2
69.28863	7.3
69.29272	18.8
70.14909	2.7
71.04990	6.0
73.70450	3.0
77.29609	2.6
79.05499	26.1
81.07062	37.1
83.04989	15.4
83.08646	5.8
85.02888	3.2
85.06548	7.9
89.06017	2.8
91.05491	46.3
93.07039	60.9
95.04979	19.3
95.08611	28.4
97.06522	6.9
98.21519	6.6
103.05489	5.5
105.07035	76.7
106.07821	3.5
107.04943	4.0
107.07875	4.2
107.08598	48.8
109.06515	18.8
109.10162	17.5
111.08047	6.0
115.05384	6.4
117.07029	18.3
119.04908	3.3
119.07792	5.3
119.08588	67.2
121.06494	14.8
121.10149	47.9
123.08076	26.8
123.11686	4.9
124.77106	2.3
125.05987	3.5
125.09615	7.2
128.06223	13.7
129.07010	24.3
130.07788	6.9
131.08580	37.9
132.09344	6.5
133.06538	9.0
133.10132	39.4
135.08061	23.1
135.11678	11.8
137.09593	14.3
139.07555	3.0
139.11185	3.3
141.06987	7.9
142.07773	24.1
143.08569	46.9
144.09406	13.0
145.06505	5.2
145.10127	64.3
146.07304	4.4
147.08063	28.3
147.11684	16.5
148.08943	3.0
149.09604	20.7
151.07581	14.6
151.11212	3.9
154.07790	4.1
155.08559	18.6
155.10683	5.0
156.09375	23.8
157.10144	76.3
158.10886	11.1
159.08049	14.1
159.11696	35.9
160.08815	7.7
161.09642	21.1
161.13300	8.7
163.11153	14.3
165.06999	7.8
165.09117	41.5
166.07739	3.4
167.08572	11.8
167.10690	11.9
168.09392	5.5
169.10118	31.6
170.10899	11.4
171.11705	38.3
172.08830	3.4
172.12462	7.9
173.09634	10.8
173.13237	16.1
175.11163	19.5
175.14783	4.3
177.12839	4.5
179.08556	10.2
180.09326	3.2
180.11459	3.0
181.10080	14.5
181.12257	12.0
182.10918	7.7
183.08054	4.2
183.11710	24.0
184.12335	7.4
185.09631	6.8
185.13242	19.5
187.11188	7.4
187.14761	4.7
189.12752	10.0
190.13556	11.1
191.10699	3.5
191.14279	4.7
192.09406	4.1
193.10172	12.7
193.12244	8.8
194.10959	5.7
195.11711	28.2
195.13564	3.5
196.12361	6.0
197.13277	20.6
198.10364	3.2
199.11201	10.2
199.14842	10.9
201.12709	8.6
203.14322	24.0
206.10880	6.7
207.11710	16.4
207.13835	16.0
208.12570	6.9
208.14629	8.4
209.13248	17.7
209.15187	5.4
211.11206	5.5
211.14847	13.7
212.15422	3.4
213.12744	9.1
213.16423	3.9
215.10617	6.1
215.14291	6.7
219.11710	6.5
219.13736	6.2
220.12503	6.4
221.13219	12.8
221.15311	80.3
222.13911	4.3
223.11195	6.6
223.14847	10.4
225.12846	4.9
225.16331	7.1
227.14262	7.7
233.13232	11.0
233.15437	21.3
234.16051	14.4
235.14885	8.2
235.17032	3.7
236.15575	3.8
237.12671	6.6
237.14700	30.4
239.14369	6.9
241.15820	3.5
247.14761	4.9
247.16943	9.7
248.14073	11.9
249.16441	4.8
251.14314	5.0
251.18013	4.6
253.16058	5.9
255.17422	24.9
259.17130	4.1
261.16479	8.8
263.14270	4.6
263.18085	6.5
265.15964	3.7
270.19888	6.8
271.17020	7.4
273.16101	3.5
274.19342	11.4
279.17468	8.6
281.19016	7.4
285.18527	5.8
286.19324	15.7
287.20117	7.8
294.19800	8.3
295.20355	3.6
295.33453	2.9
297.18533	5.7
299.19977	13.9
303.19553	48.8
307.20667	4.6
309.22025	3.5
311.20245	4.4
312.21027	5.2
313.21698	14.5
319.20557	4.1
325.21716	13.5
331.61710	2.9
337.21570	11.8
347.23526	3.2
352.23975	100.0
365.24753	25.5
377.24744	7.1
383.25757	3.2
391.26270	3.8
487.32242	3.2
502.34244	11.2
503.34879	5.7
505.33096	6.4
507.34595	9.5
508.35031	7.7
520.35498	37.9
550.41412	3.7
567.38165	4.2
582.40247	5.6
600.41602	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.05510	9.6
57.07072	12.8
67.05509	19.5
69.03431	11.7
69.07061	9.7
69.51215	24.2
73.63501	3.6
79.05506	16.7
81.07066	22.3
83.04979	7.9
83.08619	4.2
85.06543	5.6
89.06033	5.5
91.05488	36.8
91.11125	3.3
93.07047	44.1
95.04964	14.3
95.08601	29.3
97.06535	5.0
105.07039	64.9
107.08596	33.5
109.06533	16.1
109.10165	15.7
111.39759	3.4
117.07011	17.7
119.07802	5.6
119.08591	75.5
119.09444	3.7
121.06514	7.6
121.10136	27.3
122.10918	3.4
123.08076	20.9
125.05986	12.2
128.06229	6.1
129.07001	12.2
130.07664	3.2
131.08580	31.4
131.27100	3.9
133.06464	6.4
133.08572	5.9
133.10144	36.3
135.08040	23.2
135.11685	9.6
137.09650	17.3
139.07509	3.8
141.02606	3.0
141.06967	8.3
142.07785	13.8
143.08583	27.6
144.09314	4.0
145.06474	5.3
145.10138	54.1
147.08047	31.0
147.11673	15.0
149.09645	14.1
151.07520	12.6
153.07014	4.2
155.08611	15.6
156.09361	13.5
157.10152	45.4
158.10919	5.4
159.08058	9.4
159.11705	32.7
161.09631	14.2
161.13261	7.7
163.11169	24.3
165.07042	5.3
165.09125	53.9
166.09399	4.4
168.09322	4.8
169.10147	18.0
170.10947	5.4
171.11693	29.6
173.09619	8.0
173.13278	9.4
174.10490	4.0
175.11195	25.7
179.08565	6.1
179.10696	4.4
181.10182	12.9
181.12230	19.5
182.10913	6.5
183.11705	16.8
184.12415	3.5
185.09587	4.6
185.13252	11.2
187.11208	6.4
187.14816	4.5
189.12729	13.0
190.13527	7.0
191.10678	6.5
193.10159	9.3
193.12270	17.0
194.10945	5.8
195.11691	16.7
195.13678	3.2
196.12379	5.4
197.09621	4.5
197.13257	16.5
198.14053	4.0
199.11197	9.3
199.14827	5.5
201.12790	7.8
203.14346	20.9
205.11996	3.7
206.10912	4.4
207.11823	7.4
207.13799	14.4
208.14586	13.8
209.13251	11.1
211.11165	5.5
211.14830	11.6
212.15486	4.0
213.12718	5.1
215.14252	3.5
219.13821	8.6
221.13232	9.7
221.15358	100.0
222.15768	9.0
223.14775	5.2
225.12762	4.2
225.16414	6.1
227.14349	3.8
233.13257	4.3
233.15375	5.0
234.14055	4.7
234.16188	24.4
237.12665	5.5
237.16397	5.5
239.14218	4.9
239.17906	6.9
247.14743	6.3
247.16989	33.7
249.16588	4.3
253.15918	6.3
259.14771	4.3
259.17175	6.9
273.18576	6.3
274.19324	13.0
279.17456	4.7
285.18552	6.1
286.19385	4.2
287.20123	13.2
299.20078	18.4
311.19839	5.5
312.20773	7.8
312.45721	3.6
313.21774	6.3
325.21603	14.6
337.21738	4.0
339.23346	4.4
340.23889	15.9
351.23203	3.7
352.24008	34.5
365.24817	5.7
366.25778	4.0
379.26117	5.8
387.25461	4.8
413.26752	6.4
419.29501	10.4
420.30154	5.1
425.26871	11.1
426.27667	4.4
427.28470	16.5
440.29294	54.9
478.56403	4.0
508.34900	7.2
520.35583	37.5
585.38904	6.5
600.41516	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.01869	7.2
55.05509	18.7
57.07078	24.9
59.04990	5.4
65.03901	5.0
67.05503	39.1
69.03418	11.9
69.07062	24.1
70.96806	5.1
70.97145	12.5
71.05027	5.6
71.08607	5.2
79.05494	39.8
81.07068	52.8
82.07394	5.4
83.04974	9.1
83.08627	16.5
85.06567	8.4
89.06031	29.2
90.40855	4.9
91.05490	50.3
93.07047	72.9
95.04967	25.8
95.08606	43.4
97.06541	19.3
103.05491	5.8
105.07043	93.3
107.08607	60.2
109.06515	12.8
109.10162	32.3
111.08083	9.5
117.07044	25.9
119.08579	85.2
120.09368	11.1
121.06487	10.6
121.10165	39.2
123.08064	38.3
123.11719	5.3
125.05978	8.0
125.09634	10.2
128.06212	15.1
129.07025	26.6
130.07764	10.2
131.08582	58.0
133.08607	16.8
133.10149	40.4
135.08058	21.5
135.11688	15.9
137.06004	15.5
137.09621	22.3
139.11200	7.6
141.07088	7.9
142.07791	23.3
143.08549	38.3
144.09335	16.4
145.06451	7.8
145.10126	76.6
147.08124	30.8
147.11714	16.9
149.09625	5.5
151.07570	10.9
153.07016	6.3
153.09148	5.2
155.08571	21.8
155.10703	10.2
156.09380	17.7
157.10127	61.4
158.10915	14.9
159.08047	20.5
159.11729	43.0
160.08836	27.0
161.09601	15.9
161.13261	13.7
163.11176	12.8
165.09129	40.5
167.08585	8.7
168.09293	7.5
169.10179	26.6
170.10904	12.3
171.11690	42.6
172.12366	5.3
173.09720	11.6
173.13266	26.4
175.11150	27.1
175.14749	8.2
177.11200	7.3
179.08658	10.2
180.09399	6.9
180.11456	7.3
181.10117	17.0
181.12280	27.9
182.10822	8.3
183.11688	29.6
185.13274	22.0
186.13892	5.3
187.11244	9.0
187.14833	8.3
187.77086	4.9
189.12715	13.4
190.13571	5.4
193.10153	14.4
193.12119	13.2
194.10693	7.1
195.11768	18.3
197.13293	25.9
199.11142	5.6
199.14859	11.5
201.12665	10.4
203.14351	19.8
207.11983	9.3
207.13672	9.2
208.14658	10.2
209.13269	24.1
210.13950	7.9
211.11299	7.7
211.14824	18.4
212.15434	5.2
213.12761	10.2
213.16417	6.5
215.14447	8.0
219.13779	11.7
220.12631	5.5
221.13228	14.9
221.15367	100.0
223.14729	13.0
225.12756	8.3
225.16408	6.2
233.13239	7.4
233.15347	7.9
234.14014	5.9
234.16060	27.8
235.14732	7.3
237.16386	9.3
241.15804	10.7
247.14830	6.0
247.16994	19.2
249.16309	10.4
259.17212	7.6
261.16425	6.7
263.17642	6.6
273.18622	6.6
274.19348	8.6
285.18860	6.6
286.19266	16.4
287.19977	15.3
299.20181	14.7
300.20810	6.0
312.20920	10.4
325.21570	18.1
337.21378	6.6
340.23972	6.4
352.23932	48.6
365.24725	10.2
391.26291	7.2
392.26761	6.0
409.37167	6.4
415.25671	7.5
419.29144	12.9
425.26941	6.1
427.28442	10.6
440.29105	31.2
507.35056	5.6
520.35583	49.5
576.27118	7.5
600.41748	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.05497	15.6
57.07082	17.4
58.40379	3.5
59.04993	4.5
67.05501	29.5
69.03430	12.3
69.07053	14.0
70.06607	4.7
70.75270	10.2
71.04969	9.9
73.40289	3.7
79.05508	29.9
81.03410	4.7
81.07047	27.7
83.04975	10.4
83.08611	11.2
85.06531	9.8
87.04427	3.9
89.06013	9.7
91.05474	38.5
93.07046	57.9
94.07372	3.5
95.04962	21.1
95.08611	37.3
97.06525	29.0
102.91993	3.1
103.05482	4.7
105.07037	67.1
107.04948	5.2
107.08602	46.5
108.08966	4.9
109.06516	14.2
109.10181	27.8
111.08087	6.9
113.09647	8.7
114.04440	3.8
115.05448	6.9
117.07030	20.7
117.50190	3.7
119.08591	78.5
121.06489	9.8
121.10149	39.8
123.08091	25.4
123.11662	5.5
125.06007	6.1
125.09624	11.6
128.06215	8.2
129.06966	16.9
131.08556	40.3
132.09297	6.1
133.06522	6.6
133.08574	11.9
133.10120	31.1
135.08080	16.9
135.11678	10.9
137.05949	4.0
137.09596	19.1
139.07527	6.6
139.11172	12.2
141.07031	8.4
142.07777	15.4
143.08560	38.8
144.09334	14.2
145.06471	16.9
145.10130	60.6
146.10474	7.8
147.08051	35.1
147.11678	15.0
147.22942	3.6
148.08597	4.1
149.09636	11.8
151.07532	13.4
154.07808	3.7
155.08537	10.6
155.10666	8.4
156.09326	15.6
157.10130	56.0
158.10861	11.8
159.08055	16.2
159.11705	37.1
159.52228	3.5
160.08858	70.3
160.12263	5.7
161.09674	16.3
161.13277	10.9
163.11151	15.2
165.06998	7.0
165.09135	55.8
167.08577	6.7
168.09348	5.5
169.10132	31.5
170.10931	7.5
171.07997	9.3
171.11736	33.6
172.12390	6.0
173.09610	11.5
173.13326	21.2
175.11224	19.7
177.11078	3.7
179.08525	5.9
179.14383	4.0
180.09296	4.2
181.10162	11.6
181.12233	23.9
182.10913	11.5
182.12555	3.5
183.11749	24.5
184.12215	4.8
185.09660	7.2
185.13257	19.4
187.11223	7.8
187.14850	5.9
189.12747	8.6
190.13474	6.6
191.14467	5.3
193.10094	10.5
193.12219	18.1
194.10931	8.1
195.11639	15.5
195.13596	5.1
196.12442	7.3
197.09578	3.4
197.13287	19.4
198.13841	4.8
199.11290	8.1
199.14836	7.6
200.11917	3.4
201.12666	8.5
203.14336	17.9
207.11661	11.6
207.13786	9.2
208.12511	4.7
208.14592	10.2
209.13248	14.1
210.13760	4.6
211.14764	16.6
213.12885	7.4
219.11696	5.0
219.13809	6.3
220.12613	4.7
221.13281	9.3
221.15376	100.0
222.15895	17.5
223.14790	10.8
225.12805	6.1
227.14467	4.9
233.15384	8.3
234.16177	27.1
235.14865	7.4
236.77885	3.5
247.17017	24.8
248.17511	3.6
249.16319	5.0
261.16275	4.8
265.16071	3.8
269.18930	3.9
273.18555	5.0
274.19284	7.1
281.18936	4.7
283.26300	14.0
285.18466	7.0
286.19281	20.2
287.20117	14.7
299.20096	21.7
300.20767	8.8
311.20001	7.6
312.20822	10.0
313.21539	9.0
319.20636	5.7
325.21695	14.0
337.21625	7.0
339.23279	6.5
340.23807	5.9
352.24026	36.8
365.24719	13.1
366.25510	4.0
391.26675	5.4
392.26865	4.7
413.26663	4.3
419.29227	5.5
427.28018	4.5
440.29263	43.1
508.34897	4.5
520.35333	28.2
582.40289	4.6
600.41528	57.0
600.55042	16.1
629.01434	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
54.80908	2.7
54.93496	2.1
55.01864	3.2
55.05516	19.5
57.07075	13.8
59.05012	3.8
65.03915	3.3
67.05507	33.2
69.03432	8.0
69.07072	28.0
70.06583	9.4
71.04993	2.6
71.08625	7.7
71.35823	3.9
73.47243	2.8
79.05497	32.3
81.03430	3.4
81.07066	45.2
83.04990	14.7
83.08628	18.2
85.06531	2.7
85.10179	4.3
89.06024	9.1
89.06557	2.4
91.02984	2.5
91.04958	4.8
91.05486	48.2
93.07050	68.4
94.07350	3.6
95.04967	16.5
95.08614	44.7
97.06529	11.6
97.10181	5.2
103.05448	5.4
105.07037	90.0
106.07344	3.4
107.08597	69.0
108.08963	2.9
109.06513	10.3
109.10162	29.0
111.08084	5.9
111.11663	3.3
113.09650	4.4
115.05492	6.0
116.06320	3.9
116.07101	14.4
117.07044	23.7
119.04908	3.5
119.06065	3.0
119.08590	100.0
121.06524	8.8
121.10144	74.2
122.10456	3.2
123.08087	13.0
123.11706	10.4
124.08496	2.5
125.06014	3.2
125.09634	10.5
128.06238	11.7
129.07016	16.3
130.07764	10.5
131.08583	48.8
133.06496	6.1
133.08591	5.5
133.10141	57.2
135.08054	14.7
135.11705	24.9
137.09607	8.7
139.11215	8.3
141.06979	7.2
142.07773	22.5
143.08572	35.0
144.09378	11.7
145.06474	5.5
145.10138	67.7
147.08064	8.6
147.11693	18.8
149.09624	20.3
151.07558	5.7
153.06985	5.2
155.08566	22.1
156.09335	16.7
157.10146	55.5
158.10820	5.1
159.08061	8.8
159.11688	41.7
160.12419	3.3
161.09628	9.5
161.13254	7.7
163.11226	7.6
165.07005	6.8
165.09143	5.7
166.07756	4.0
167.08458	6.9
167.10684	64.2
168.09315	7.8
168.11012	6.1
169.10165	29.7
170.10890	6.4
171.11716	31.1
173.09688	5.6
173.13274	23.7
175.11205	5.9
175.14825	27.6
177.12740	7.0
179.08598	8.5
179.10672	2.6
180.09361	5.6
181.10129	17.0
181.12241	8.3
182.10921	10.7
183.11684	26.6
184.12395	3.2
185.09653	4.2
185.13245	18.3
187.11092	4.6
187.14847	15.4
187.71695	2.6
189.12813	4.7
191.14308	5.3
193.10173	15.1
194.10910	8.4
195.11754	25.0
195.13550	5.3
196.12460	6.4
197.09576	2.4
197.13268	24.4
198.13864	3.0
199.11227	6.2
199.14838	9.0
201.12717	5.1
201.16464	6.4
203.14357	6.2
205.10027	4.1
206.10905	5.5
207.11653	10.1
207.13681	4.4
208.12453	7.9
209.13274	25.2
211.11232	4.5
211.14865	17.3
213.12851	3.1
213.16460	6.2
215.14317	4.8
217.15797	4.3
219.11780	3.6
219.13820	6.8
219.17392	3.8
220.12402	4.0
221.13251	11.1
221.15375	7.5
223.14845	18.8
225.12767	5.8
225.16385	5.5
227.14319	4.5
231.11423	2.9
232.12440	4.4
233.07436	2.5
233.13286	6.6
233.15381	10.4
234.16011	7.3
235.14825	7.1
237.12665	3.3
237.16414	7.5
239.17934	5.7
241.19485	3.0
246.13972	3.9
247.14734	6.8
249.16492	6.9
251.17999	3.5
253.19516	3.5
255.17432	6.1
259.14734	4.2
260.15552	2.9
261.16446	5.3
263.17902	6.9
265.19598	6.5
269.18964	3.0
271.20514	3.7
273.16138	3.0
275.17801	3.3
281.19153	2.7
283.20618	5.4
285.18542	2.8
285.22147	3.3
289.19632	2.9
299.20065	4.2
353.24817	2.6
363.26675	13.5
396.26633	2.5
465.33420	5.1
512.90210	2.4
539.38690	5.7
557.39960	14.7
582.40076	8.7
600.41437	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01875	1.0
55.05515	3.9
56.05031	0.9
57.03421	1.1
57.07079	0.9
57.98784	0.6
58.99291	0.9
58.99590	17.6
61.01152	0.7
65.03912	0.7
67.05506	7.4
69.07065	5.5
70.74107	1.4
71.04985	0.6
76.02231	76.6
76.03986	2.9
79.05491	5.5
80.05010	0.6
81.03403	1.2
81.07056	11.9
83.04971	2.4
83.06094	1.4
83.08607	2.4
84.04507	13.5
85.02880	0.6
85.06544	0.8
86.99039	3.9
88.02229	1.6
91.05482	6.6
93.07046	8.6
95.04964	2.7
95.08604	8.3
97.06522	2.2
97.10198	0.9
102.05547	0.7
105.07037	8.7
107.04923	2.2
107.08589	5.8
109.06536	4.1
109.10147	3.6
114.03718	0.7
116.01683	19.9
117.07008	2.5
119.08576	5.2
121.06506	3.7
121.10136	4.0
123.04386	0.7
123.08049	2.0
123.11710	1.2
123.58844	0.6
125.09631	0.7
129.06630	1.8
130.05022	5.8
131.08569	6.3
133.06490	1.4
133.10153	6.5
135.08060	1.9
135.11693	1.9
137.09633	1.0
141.07013	0.6
142.03246	7.4
143.08521	1.4
144.00110	1.0
144.01155	13.1
145.06396	1.0
145.10133	5.8
145.58556	0.6
147.08040	1.6
147.11696	4.6
149.09598	2.4
149.13264	1.4
151.11191	1.5
157.10130	1.5
159.08083	1.0
159.11732	2.9
161.09607	1.7
161.13239	1.0
162.02205	40.1
163.04008	0.6
163.11198	2.0
169.10204	0.6
170.02690	2.4
171.11655	1.2
173.09727	0.7
173.13258	2.1
175.11174	1.9
179.04857	100.0
181.06006	0.7
183.11621	0.9
185.13306	0.7
187.05342	3.3
187.11201	1.0
189.12816	0.7
191.14238	1.1
197.13248	0.7
199.07211	0.8
201.12767	1.2
203.14255	1.1
207.13860	1.9
215.04897	2.2
215.14403	0.8
215.17946	0.9
219.13794	1.3
233.05917	12.4
245.05840	3.4
257.18991	2.7
273.18536	3.2
275.20071	27.9
290.08112	0.9
291.06546	1.8
291.19586	3.6
293.21097	18.7
308.09122	30.0
350.21228	1.1
351.19931	0.9
368.22498	9.5
453.24170	6.8
525.26215	2.6
582.28271	1.7
600.29773	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	600.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16585	0.2
50.95302	0.2
52.25454	0.2
53.03937	0.3
54.18025	0.2
55.05507	0.4
57.03428	0.4
60.81833	0.2
61.02924	2.8
64.04691	0.2
67.05494	0.8
69.03438	1.1
69.50195	1.3
69.50616	0.4
70.06579	0.9
71.04968	0.4
72.08153	0.8
73.02925	1.1
79.05480	0.9
81.03419	6.8
81.07039	0.7
83.04978	0.5
83.08623	1.8
84.04476	0.2
84.08128	0.4
85.02910	2.3
87.05573	0.2
91.03964	1.1
91.05473	1.0
93.07037	0.6
95.04969	2.1
95.08578	0.2
95.59064	0.2
97.02906	2.1
99.04453	0.3
101.02442	0.2
101.47414	0.2
105.07018	0.8
105.62251	0.2
107.04949	0.4
107.08603	0.4
109.02892	0.4
109.06490	0.4
111.04441	0.2
111.08086	0.9
117.07039	0.2
119.03540	0.6
119.04971	0.3
119.08583	0.9
121.10098	0.4
124.07581	0.3
127.03937	0.5
128.07126	0.5
129.07005	0.7
131.08583	0.6
133.06471	0.2
133.10101	0.5
136.06189	100.0
137.04573	1.0
137.05676	0.2
144.10243	0.2
147.04407	0.2
147.08035	0.4
147.11693	0.7
149.09610	0.6
149.10760	0.2
152.05675	0.2
153.05441	0.2
157.10135	0.9
159.08110	0.2
164.07097	0.4
167.07053	0.2
175.11179	1.3
190.82919	0.2
193.12253	4.9
211.13272	0.4
228.09682	0.3
240.19788	0.2
245.74298	0.2
249.11249	1.0
267.15927	3.3
285.16949	3.8
293.18655	0.2
309.16638	0.4
327.17444	0.4
391.46216	0.2
420.22354	3.5
438.23636	2.1
582.27753	4.6
600.28461	4.3
600.37109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01864	1.9
55.05515	3.7
56.02629	0.5
56.05028	0.7
57.03439	0.8
58.99577	1.5
60.10490	0.7
65.03951	0.7
67.05507	8.1
68.05014	0.6
69.03426	3.3
69.03755	0.6
69.07069	4.4
69.96057	2.7
70.06590	1.0
71.04997	1.0
73.02909	0.6
74.00653	2.6
76.02220	2.0
79.05493	8.5
80.05010	1.7
81.03434	3.2
81.07062	21.2
83.04993	1.3
83.06094	1.6
83.08620	3.1
83.76969	0.6
84.04499	4.8
85.01131	1.2
85.02899	3.8
86.00674	0.8
87.00841	1.5
89.27885	0.5
91.05484	8.1
93.07042	7.6
94.06585	1.0
95.04952	3.0
95.08604	10.0
97.01113	2.0
97.02876	0.9
97.06513	1.5
97.10163	0.6
99.01418	3.9
99.04443	1.4
99.05601	0.7
100.02201	5.4
104.45220	0.6
104.77388	0.6
105.01859	0.7
105.07027	7.9
106.06533	1.0
107.04935	1.6
107.08591	4.7
108.08164	0.8
109.02871	2.8
109.06519	3.7
109.10162	3.7
109.10804	0.6
111.02606	0.8
111.08093	0.8
112.02201	9.0
113.02970	1.0
114.03742	7.7
116.01671	2.6
117.07014	2.7
119.04928	0.7
119.08572	5.8
120.08109	1.2
121.06524	1.5
121.10136	2.5
122.64011	0.6
123.02655	1.0
123.08056	1.0
123.11687	1.6
125.04245	0.7
126.03751	2.7
126.50742	0.6
127.03901	3.2
129.06653	1.9
130.05011	1.3
131.08569	4.4
133.06482	1.0
133.10114	3.5
134.09627	1.1
135.08035	0.7
135.11710	1.2
137.04166	1.0
137.09616	0.8
138.03720	2.1
139.03249	1.1
140.05283	6.2
141.07034	1.1
142.06795	0.9
144.01205	0.6
145.06076	0.7
145.10109	3.3
147.04414	0.9
147.11684	4.0
149.09599	2.0
149.13246	2.4
152.05264	1.1
153.05476	18.3
153.06581	1.1
154.06892	1.4
157.10135	1.2
159.02873	1.0
159.04375	0.8
159.08054	1.5
159.11748	1.5
161.13284	1.0
162.02147	1.0
163.11234	1.5
163.14809	0.9
165.12682	0.7
166.06851	1.7
168.08424	16.8
169.10159	0.7
171.11688	0.8
173.09659	0.7
173.13277	1.6
175.11313	0.6
177.05486	0.8
179.04916	1.2
180.08487	1.0
181.06133	1.5
185.03842	2.3
187.05803	1.2
187.07553	19.9
191.14297	0.9
201.09039	4.4
202.04121	2.0
209.15366	2.4
213.09062	1.1
215.04912	0.7
216.05627	2.3
222.15106	0.6
226.63742	0.6
229.06476	0.7
229.08592	1.2
231.04466	3.3
233.05731	0.8
236.14534	0.9
236.16699	0.7
241.06299	0.7
255.07986	1.9
257.19150	0.8
264.14191	5.8
269.09622	1.8
270.10315	6.6
271.11093	1.3
275.20102	7.1
281.14496	2.0
282.15225	31.8
293.21210	0.8
308.09167	1.1
323.20148	0.6
333.18710	2.2
339.17279	0.8
350.17545	0.5
350.21463	10.3
351.19989	2.2
353.13843	2.8
365.14090	0.8
368.22504	10.7
378.21017	1.6
384.17151	13.6
385.17926	2.8
395.14972	1.6
407.23932	1.0
435.22803	0.8
453.24191	100.0
454.24384	1.5
479.25800	1.2
525.26263	4.6
582.28601	1.4
600.29633	4.1
600.37903	0.8
610.06500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.4
55.01876	20.9
55.05514	42.4
57.07068	15.5
57.90583	3.8
59.04994	4.3
59.30856	3.3
64.39283	3.9
65.03944	10.0
67.05509	81.7
69.03444	7.3
69.07076	60.9
71.04987	6.6
71.56135	5.7
71.56580	4.0
79.05499	71.1
80.83454	5.6
81.03399	5.6
81.07063	100.0
83.04977	18.6
83.08604	22.4
85.06522	7.1
89.00311	4.1
91.04913	4.4
91.05486	77.1
93.07056	80.9
95.04985	22.0
95.08607	91.4
97.06556	26.0
97.10177	18.5
105.07034	98.7
107.08603	49.9
107.60487	4.5
109.06508	10.3
109.10157	50.8
111.08067	9.7
113.09668	5.3
115.05457	8.9
117.07034	32.2
119.08585	87.9
121.06488	12.3
121.10148	63.3
123.08106	21.3
123.11714	14.5
125.09646	16.0
128.06204	11.5
129.07004	23.0
130.07813	7.3
131.08580	53.8
133.06560	5.3
133.10138	67.1
135.08069	14.0
135.11687	23.8
137.09641	14.2
139.11177	7.5
139.70328	4.0
141.07001	13.1
142.07794	17.7
143.08586	36.1
144.09308	5.3
145.10144	71.7
147.08089	16.8
147.11670	28.5
149.09624	14.1
149.13315	10.6
151.07509	11.4
155.08563	23.5
156.09370	14.6
157.10152	51.5
159.08060	14.5
159.11720	42.2
161.09633	13.1
161.13269	13.4
163.11188	9.7
163.14868	5.1
165.07091	7.5
165.09152	17.3
165.12747	4.3
166.07716	4.9
167.08534	10.7
167.10678	47.7
168.09354	7.0
169.10133	32.3
171.11710	46.4
173.09625	13.1
173.13237	33.3
175.11223	6.6
175.14830	6.3
179.08560	8.1
181.10114	18.3
181.12189	12.9
183.11731	26.1
185.09584	4.3
185.13301	34.6
187.14864	15.0
189.12665	6.3
193.10147	6.7
195.11711	17.3
196.12337	4.1
197.13237	32.2
198.28395	4.5
199.11224	9.5
199.14809	15.7
201.12752	5.4
201.16377	4.6
203.12660	6.4
203.14394	10.3
207.11804	9.5
207.13754	7.3
208.12509	5.3
209.13268	19.4
211.14897	12.7
213.12932	5.0
213.16426	5.7
215.14432	6.3
221.13283	10.5
221.15422	35.7
223.14810	10.0
225.16368	7.9
227.14255	6.7
229.19487	5.3
233.13318	7.1
233.15355	27.7
235.14928	9.0
237.16435	10.3
239.17986	6.4
247.16998	8.9
249.16290	6.7
267.21078	4.7
285.18710	6.0
287.19958	6.0
291.23276	5.5
299.20093	8.3
313.21729	5.1
341.24734	5.1
346.83228	4.1
399.32776	22.3
405.31458	5.1
423.32541	13.2
437.33878	5.6
455.35172	15.8
487.37894	64.6
501.39465	5.1
517.40747	11.5
535.41815	9.9
549.42975	13.4
567.44141	31.1
581.46222	35.2
599.39990	64.3
599.48944	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	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.6
54.08881	1.8
55.05512	13.0
57.07079	6.4
59.05000	3.8
63.73434	1.9
65.03957	2.8
66.23662	1.7
67.05505	22.8
69.03434	8.2
69.07072	18.0
69.53742	12.9
79.05502	18.3
81.07062	25.3
83.04970	9.1
83.08624	10.7
85.06538	5.3
91.05481	33.2
91.91248	1.8
93.07049	50.1
95.04989	16.1
95.08603	24.4
97.06544	7.5
98.20779	3.5
103.05441	2.8
105.07033	43.9
107.04924	1.9
107.08598	35.4
109.06512	10.9
109.10155	14.5
111.08057	3.4
113.09632	2.3
115.05445	2.4
116.07123	2.1
117.07010	8.8
118.10381	2.1
119.07787	3.7
119.08588	41.5
121.06532	7.1
121.10147	60.9
123.08060	16.4
123.11714	8.4
124.31891	1.7
125.06007	3.3
125.09643	4.7
128.06216	5.4
129.06998	10.6
130.07843	3.4
131.08575	23.9
133.06506	4.2
133.10133	29.0
135.08061	10.4
135.11711	8.6
137.09625	6.5
139.11188	5.1
141.07025	5.1
142.07808	11.1
143.08562	18.4
144.09386	6.7
145.06490	2.3
145.10110	33.3
147.08078	10.0
147.11687	8.6
149.09622	20.7
149.13196	1.8
151.07552	18.9
153.07034	2.7
155.08511	10.4
155.10507	2.2
156.09383	9.2
157.10133	27.4
158.07417	2.1
158.10909	4.3
159.08070	10.9
159.11691	15.1
161.09607	9.2
161.13272	7.0
163.07532	2.2
163.11212	6.6
165.06979	5.1
165.09131	12.5
167.08525	4.6
167.10690	93.8
168.09380	4.6
169.10114	13.7
170.10846	2.5
171.07997	2.7
171.11699	15.0
173.09656	5.9
173.13283	11.7
175.11174	4.1
175.14853	8.5
175.58791	1.9
177.09062	3.6
179.08600	4.7
179.10834	2.0
180.09286	2.4
181.10196	7.1
181.12279	7.5
182.10938	3.7
183.08032	2.3
183.11703	11.3
184.12424	1.9
185.09634	2.5
185.13251	10.1
187.11226	5.3
187.14871	8.1
189.12788	7.9
191.14363	5.5
193.10104	6.9
194.10950	7.0
195.11650	10.9
195.14069	1.8
196.12444	2.8
197.09630	2.6
197.13263	13.9
199.11235	4.3
199.14854	6.4
201.12798	3.1
203.14319	7.3
205.15811	4.5
206.10771	2.3
207.11725	10.7
207.13879	7.3
208.12523	2.2
209.13318	15.4
209.15221	3.3
211.11156	2.1
211.14856	7.8
213.12799	3.6
213.16321	3.8
215.14384	7.8
217.15973	2.0
219.11772	4.6
220.12498	2.9
221.13307	6.9
221.15419	29.9
222.13947	3.1
223.11140	2.7
223.14859	6.5
225.16508	2.4
227.14352	3.4
231.04263	1.7
231.11864	3.6
231.13811	3.7
232.12631	2.1
233.13226	5.7
233.15359	34.5
235.14835	6.3
237.12804	2.1
237.16447	3.2
239.14439	3.5
245.13309	4.6
247.14874	4.7
249.16731	4.0
251.14224	2.0
251.17909	3.2
257.13248	2.7
259.14822	3.4
261.16351	4.0
263.18036	4.6
265.19714	3.2
267.17563	2.3
273.16223	3.4
275.14481	2.1
281.19147	2.6
285.22134	2.0
286.19348	2.3
287.20166	3.4
293.19135	2.3
299.20221	5.2
303.17261	2.8
303.20764	2.5
311.20056	3.6
339.29129	2.8
365.24762	4.3
373.25513	2.3
377.24631	4.5
389.28857	2.2
391.26270	3.1
393.24475	3.3
571.41809	4.2
581.39825	21.9
599.40918	100.0
600.40814	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	598.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	2.7
57.03428	1.8
57.07078	100.0
59.05004	34.4
62.81047	1.7
63.75766	2.1
67.05500	3.8
69.07055	2.8
71.08636	69.9
71.56435	2.3
75.79793	1.5
76.42903	1.4
81.07061	4.6
83.08615	3.3
85.10185	62.4
87.04471	2.9
89.06024	19.5
91.05476	4.1
93.07043	3.7
95.04968	3.0
95.08593	2.2
97.10152	4.2
99.11742	13.6
101.09686	2.6
105.07050	5.4
107.08634	2.9
109.10117	2.4
111.35694	1.6
113.13282	2.9
117.09155	15.6
119.08584	3.7
121.10147	3.1
131.08504	2.2
133.08623	8.2
133.10083	2.1
143.08572	2.7
145.10098	4.2
151.09410	1.5
155.17964	9.6
163.11223	2.1
177.11270	5.4
195.12268	5.3
213.22119	17.7
225.63812	1.6
235.15260	2.0
253.16461	4.8
271.26349	18.8
329.30359	2.0
368.23419	2.9
598.39484	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	598.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
53.80641	1.9
55.01880	6.6
55.05517	48.2
57.03447	14.2
57.07057	2.1
59.05004	2.7
61.02921	5.3
63.55908	2.0
65.03948	4.3
67.05509	100.0
69.03430	5.3
69.07076	11.9
69.63000	14.6
70.06567	2.1
71.05003	5.6
73.02936	4.6
79.05496	22.6
81.03435	12.4
81.07066	26.8
83.04980	16.7
83.08618	21.5
85.02915	22.5
85.06541	3.8
87.04469	9.6
91.03977	2.1
91.05497	13.9
93.07047	15.9
95.04990	6.7
95.08599	15.8
97.02904	9.4
97.06538	4.6
97.10176	34.6
103.03967	8.5
105.07057	4.9
107.04953	6.5
107.08585	21.3
109.06554	2.4
109.10163	71.3
111.08078	4.4
119.08596	9.5
121.10165	6.7
121.47031	2.0
123.08075	4.2
125.09645	37.2
131.08565	4.1
133.10153	2.9
135.11710	6.8
137.09605	5.2
143.10715	8.6
145.10088	6.2
149.09641	2.9
153.12758	9.5
155.10609	10.1
156.96013	2.2
163.11215	16.3
167.10699	2.3
173.09618	3.4
173.11749	34.9
173.13155	3.8
181.12219	6.2
181.25316	1.9
191.10687	4.9
199.13287	7.6
209.11720	13.0
217.14374	5.1
220.86888	1.9
227.12766	10.8
229.14362	64.4
245.13922	2.6
257.13879	14.5
272.16367	2.3
283.15460	11.8
301.16467	33.0
319.17480	9.6
326.75937	2.6
373.71460	2.3
555.08160	2.3
598.39563	2.8
619.90552	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	598.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88882	2.5
53.03942	5.7
54.18228	2.7
55.01864	9.7
55.05271	3.0
55.05518	53.9
55.30939	2.5
55.97430	2.8
57.03444	16.9
59.04999	9.1
61.02919	4.2
65.03947	3.8
67.05511	100.0
69.03440	8.1
69.07075	14.0
71.01341	4.0
71.04993	4.0
73.02914	6.9
79.05509	29.0
80.17330	2.6
81.03423	22.5
81.07062	35.4
81.88702	3.3
83.04984	13.7
83.08630	22.8
85.02908	28.5
85.06556	4.8
87.04469	13.2
91.05501	14.7
93.07049	17.7
95.04977	7.5
95.08617	18.5
97.02909	13.3
97.06526	6.9
97.10177	36.3
99.04556	2.7
103.03942	10.8
105.07050	8.2
107.04935	5.7
107.08603	25.4
109.02943	3.3
109.10156	88.3
111.04453	6.2
111.08076	5.7
116.74792	3.0
117.07064	5.7
119.08589	10.9
121.10159	10.8
123.08063	2.8
125.09642	49.8
127.03912	5.2
131.08551	5.9
133.10179	3.6
135.11714	7.5
137.05969	3.2
137.09679	5.8
143.10681	8.6
145.10130	9.9
147.08049	2.7
147.11710	3.1
153.12755	11.3
155.10728	10.3
159.06493	3.1
163.11203	17.7
167.10719	2.9
170.29860	2.5
173.09593	5.0
173.11739	52.2
173.13148	3.7
181.12265	11.2
186.04315	2.8
191.10669	8.9
199.13239	12.8
202.92920	2.4
209.11684	19.0
217.14372	4.3
227.12805	19.0
229.14360	77.7
229.75340	3.0
245.13815	4.7
257.13818	40.1
283.15363	12.3
299.14951	4.3
301.16483	41.2
319.17523	10.3
598.39899	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	597.1453
Annotation	Peltatoside
Peak:m/z	Relative Intensity
53.05753	0.2
54.98635	0.3
55.01873	0.4
57.03436	2.5
59.05005	0.4
61.02940	0.5
68.99792	0.6
69.03430	9.2
70.06576	0.8
71.04991	0.3
71.55535	0.4
72.08133	0.5
73.02909	1.1
73.06806	0.2
81.03410	1.5
84.08149	0.4
85.02906	8.2
87.04466	5.2
91.05494	0.4
93.03378	0.4
95.04951	0.5
97.02896	6.8
99.04401	0.3
109.02883	1.0
111.00783	1.0
111.04426	0.3
115.03931	5.0
116.07001	0.3
119.04873	0.3
121.02879	1.1
123.04420	0.5
127.03917	1.8
133.04958	5.0
135.04398	0.4
137.02335	2.7
139.03918	0.4
145.04924	1.0
145.06398	0.3
147.04385	0.6
149.02333	0.6
151.03883	0.4
153.01820	3.9
161.06001	0.4
163.03917	1.2
165.01830	1.9
173.05981	0.4
183.02914	0.7
187.03836	0.3
201.05424	1.2
207.78725	0.2
229.04945	4.3
229.07013	0.3
247.06029	0.6
247.10675	0.3
256.03638	0.3
257.04431	3.0
267.24524	0.3
269.04263	0.3
273.03845	0.3
274.04694	0.8
285.03949	1.4
286.04703	0.4
287.05176	0.4
301.07095	1.8
302.07407	1.4
303.04977	100.0
304.05310	1.7
315.05020	0.6
345.05780	0.6
393.62500	0.3
465.10181	0.6
472.41949	0.3
473.14890	0.3
612.57220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3037
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.71033	1.0
53.03949	1.5
55.05519	13.2
56.19810	1.2
57.03444	9.0
57.07080	1.9
58.68036	1.1
62.98455	1.1
64.35838	1.2
67.05505	27.7
67.66907	1.1
69.03419	1.2
69.07072	13.5
71.00621	1.1
71.00967	2.6
74.81531	1.1
79.05490	9.7
81.03429	8.1
81.07066	27.3
83.04988	1.1
83.08634	7.0
83.59634	1.1
85.02936	2.2
91.05490	6.0
93.07061	8.2
95.04958	1.3
95.08614	23.0
97.06521	2.6
97.10183	3.4
98.98477	19.2
105.07051	5.9
107.08626	5.4
109.02863	5.5
109.10146	8.8
111.08154	1.4
112.31103	1.2
119.08601	4.7
121.10156	4.1
123.11708	2.9
123.45077	1.3
133.10178	3.6
135.11749	2.8
147.11665	2.1
149.13310	1.5
155.01039	3.8
161.13272	2.4
163.06007	1.3
175.14838	1.9
175.74748	1.3
192.18402	1.3
234.98199	1.1
245.22813	1.4
261.03711	6.5
263.23621	1.5
335.07410	2.6
337.27380	100.0
338.27737	2.7
371.77090	1.4
537.24811	2.7
597.26959	8.8
597.38251	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.01863	9.0
55.05510	48.0
57.03435	18.8
59.04991	7.9
61.02924	4.4
67.05507	100.0
68.87688	2.5
69.03419	9.7
69.07075	17.2
69.63718	11.7
69.64129	4.0
70.06566	3.8
70.31275	2.2
71.01364	3.0
71.04976	6.0
73.02909	7.5
79.05497	28.2
81.03423	20.4
81.07058	40.6
83.04988	13.3
83.08625	20.6
85.02913	29.4
85.06536	4.8
87.04453	11.5
91.03934	4.1
91.05472	17.5
93.07063	16.7
95.04950	8.0
95.08603	20.3
97.02898	18.9
97.06526	6.7
97.10170	33.8
99.04375	3.2
103.03939	13.2
105.07028	11.6
107.04971	6.3
107.08613	18.4
109.02914	3.5
109.06520	3.0
109.10160	81.5
111.04446	6.3
111.08079	8.2
111.98093	2.9
119.08595	9.1
121.06548	3.6
121.10148	9.8
123.08073	2.5
125.09641	40.2
127.03890	7.5
131.08545	6.5
135.11708	9.7
137.09619	6.8
139.11150	3.4
143.10661	7.4
145.10109	5.7
149.09673	3.2
153.12746	11.7
155.10641	8.0
163.11211	18.7
173.11755	47.2
173.13206	5.5
181.12210	8.2
191.10654	4.8
193.12317	5.1
199.13335	14.0
209.11781	14.5
211.13138	3.0
217.14394	2.8
227.12784	13.7
229.14352	57.4
245.13800	4.4
255.79851	2.8
257.13867	45.6
283.15363	9.5
288.05844	3.6
300.38046	2.5
301.13382	3.0
301.16483	34.0
319.17310	5.6
460.74698	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	597.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01869	0.3
55.34550	0.2
57.03440	2.5
59.04981	0.3
61.02926	0.4
65.03927	0.3
68.99786	0.7
69.03434	8.9
69.43343	1.4
69.43755	0.5
70.06577	0.5
72.08163	0.5
73.02914	0.7
74.83016	0.3
77.34700	0.2
81.03417	1.1
85.02906	8.6
86.09706	0.4
87.04472	5.3
89.19141	0.3
90.88253	0.2
91.05477	0.4
93.03397	0.3
95.04971	0.4
97.02892	6.1
98.21452	0.6
99.04505	0.3
99.69559	0.2
101.93785	0.2
105.01681	0.2
107.04981	0.3
109.02874	1.0
111.00809	0.7
115.03938	5.7
121.02866	1.0
127.03931	2.0
133.04973	5.8
137.02338	3.0
137.05986	0.4
140.81645	0.3
145.04912	1.2
147.04399	0.4
149.02306	0.4
151.04024	0.4
153.01820	2.7
161.06079	0.3
163.03931	0.6
165.01846	1.6
166.02580	0.3
167.07202	0.3
173.05989	0.3
183.02957	0.6
195.02837	0.4
201.05496	1.4
219.84489	0.3
225.56386	0.2
229.04962	4.0
247.06056	0.7
257.04395	2.5
274.04706	0.8
285.03989	1.3
286.04767	0.3
290.09256	0.3
301.07053	1.6
302.07333	1.2
303.04990	100.0
304.05328	1.4
311.10089	0.3
315.04889	0.3
345.06143	1.0
380.10880	0.3
399.07001	0.2
421.68356	0.3
435.09171	0.3
465.10159	0.6
595.17297	0.3
608.57123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01868	8.2
55.05272	3.6
55.05516	52.1
57.03445	20.5
59.04993	8.4
61.02919	2.9
65.03938	3.7
67.05510	100.0
69.03419	6.4
69.07092	14.5
69.62252	13.7
70.06585	2.5
71.01353	3.6
71.04987	6.0
72.13143	2.3
73.02912	5.3
79.05502	30.9
81.03429	19.1
81.07063	43.4
83.04987	12.8
83.08623	25.5
85.02921	24.1
85.06542	2.7
87.04464	12.0
91.03982	2.8
91.05482	17.4
93.07056	21.3
95.04974	8.2
95.08614	18.0
97.02890	10.7
97.06557	4.3
97.10175	37.6
98.09670	2.5
103.03933	12.0
105.07030	8.3
107.04955	7.3
107.08613	21.6
109.06493	3.0
109.10165	90.5
111.04453	5.6
111.08099	4.4
117.07051	3.0
119.08556	12.1
119.43547	2.4
121.10165	5.3
123.08042	3.3
125.09637	47.1
127.03949	3.4
129.05467	2.1
131.08562	4.5
135.11696	10.6
137.09654	3.8
143.10667	11.7
145.10139	8.9
147.08046	2.6
153.05421	2.8
153.12764	11.6
155.10687	10.6
163.11209	18.9
173.11752	43.8
181.12239	7.2
189.11281	4.5
191.10750	4.6
193.12245	6.0
196.07301	2.7
199.13255	9.9
209.11685	11.7
209.53073	2.2
217.14371	6.2
227.12749	15.1
229.14372	74.5
245.13765	5.5
257.13800	22.3
264.39307	2.5
283.15411	15.8
301.16479	41.5
301.19681	4.5
319.17456	8.8
343.09906	2.8
376.84753	2.6
396.62445	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41417	0.5
53.03921	1.4
55.01860	0.9
57.03423	1.3
57.05791	1.0
58.06579	1.6
61.02906	1.7
65.03913	0.6
69.03433	8.9
69.07039	0.6
70.06597	5.4
70.89342	0.5
71.04972	1.1
71.12177	0.8
72.08161	2.6
73.02897	1.0
79.05476	1.7
79.39156	0.5
81.02982	0.7
81.03419	8.2
81.07054	0.5
84.04507	1.1
84.08121	1.0
85.02424	0.8
85.02909	13.3
86.09719	1.0
87.04456	0.6
88.03972	2.8
91.03915	0.6
91.05487	2.5
93.03416	0.7
95.04942	1.8
95.08562	0.6
97.02903	10.1
98.06055	2.9
98.09660	0.8
99.04453	1.6
103.03915	0.7
103.05453	0.5
105.07044	5.0
107.04958	59.1
108.05241	0.7
109.02888	4.3
110.07194	0.9
111.04457	5.4
115.03934	0.8
115.05475	1.3
115.08703	6.2
119.04900	1.4
119.08548	0.7
120.08086	1.7
122.22292	0.5
123.04425	1.6
126.05557	2.5
127.03926	7.2
128.07066	1.0
131.04945	1.7
132.11337	6.0
133.06500	19.0
134.06036	0.6
135.04414	13.5
137.02321	0.8
137.05943	1.6
139.03908	19.7
145.04982	3.2
147.04393	0.9
148.07529	1.8
149.05962	1.9
151.06264	1.5
153.05428	0.9
156.06543	0.5
159.04443	1.6
159.11726	0.7
161.05980	15.7
163.03946	5.8
163.07661	0.5
166.08644	60.1
167.08980	0.9
171.05508	1.8
177.05457	7.0
181.04968	15.2
187.03903	1.5
193.12308	1.3
194.08089	0.9
195.06531	8.1
205.04959	4.4
208.09651	0.8
212.09183	100.0
213.09456	0.9
223.05959	0.7
227.76567	0.6
254.10263	0.7
267.15771	0.6
285.16995	0.9
287.05634	0.9
288.05774	0.8
338.89404	0.6
374.14456	4.5
416.22739	0.9
434.23523	0.9
457.01608	0.6
495.92624	0.8
534.19989	1.4
550.19019	5.2
560.17487	0.9
578.19055	1.0
578.32947	1.5
596.19763	39.3
597.20178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
53.60284	1.5
55.05519	9.3
56.26940	1.7
57.03436	6.3
61.65992	1.5
67.05178	2.9
67.05511	36.3
69.07077	7.9
69.81947	3.1
69.82354	5.9
71.04992	3.4
72.08144	2.1
79.05495	19.7
81.03422	9.3
81.06580	2.2
81.07059	32.7
83.05004	1.8
83.08626	5.2
85.02911	4.1
89.40957	1.5
91.05454	10.7
93.07046	20.4
95.04983	2.5
95.08615	24.2
97.06564	1.8
97.10167	1.9
98.20822	2.4
98.98479	21.2
105.07035	7.7
107.08607	11.4
109.02876	9.3
109.10171	10.7
117.07019	1.9
119.08582	6.3
121.10139	6.6
123.11694	3.1
127.03881	2.6
131.08562	3.4
133.10117	4.5
135.11682	5.8
137.13275	1.9
145.10101	3.7
147.11714	3.1
149.13290	3.1
155.00986	3.5
159.11716	3.7
161.13324	3.2
173.02127	2.1
174.81859	1.3
261.03690	7.4
261.22003	2.9
287.05508	11.3
293.46762	1.5
335.07446	1.8
335.25821	100.0
449.11234	2.3
508.28790	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35765	0.1
51.92281	0.1
52.50770	0.2
57.03437	0.8
61.02925	0.5
68.99778	0.2
69.03429	0.3
69.41456	1.3
70.06580	0.6
71.04998	3.8
72.08165	0.8
73.02911	0.3
78.01791	0.2
81.03418	0.5
83.04976	0.2
84.08151	2.1
85.02912	5.3
85.74392	0.2
91.03966	0.4
93.03420	0.4
95.04968	0.5
95.08610	0.3
97.02911	0.8
107.05018	0.2
107.08591	0.2
109.02874	0.3
111.04439	0.4
117.09431	0.2
121.02864	1.8
123.04402	0.2
127.03935	0.9
129.05507	0.9
130.08649	0.2
133.06476	0.2
137.02347	4.8
142.36012	0.2
145.04994	0.3
147.04427	0.4
147.06511	0.4
149.02341	2.1
157.06508	0.5
161.05905	0.2
163.03926	0.3
167.03445	0.3
175.07559	0.4
177.05412	0.2
178.86760	0.2
185.05986	1.6
191.03363	0.2
203.07048	0.3
213.05475	3.5
216.04237	0.2
231.06479	1.2
241.04974	2.3
258.05301	0.3
259.06073	0.3
269.04575	1.3
269.07031	0.3
271.06119	0.3
277.19043	0.4
287.05511	100.0
288.05869	1.3
300.08527	0.2
301.07111	0.9
369.23782	0.8
397.30890	0.2
406.10681	0.2
433.32748	0.4
449.10709	1.5
551.08258	0.2
577.23444	0.2
595.25537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
54.86559	1.1
55.05524	7.4
57.03437	8.0
62.92304	1.1
64.41996	1.2
67.05509	34.5
68.59602	1.1
69.07072	6.9
69.43935	4.5
69.44370	4.1
71.05002	1.6
79.05495	19.6
81.03415	11.5
81.07056	31.9
83.04976	1.8
83.08618	3.2
85.02924	2.1
91.05482	12.3
93.07043	20.8
95.04974	2.2
95.08611	26.0
97.06561	1.4
97.10190	1.4
98.20713	1.3
98.98467	22.6
99.04427	1.4
105.04411	1.2
105.07041	6.5
105.30165	1.2
107.08602	9.4
109.02893	7.1
109.06467	1.2
109.10161	9.0
114.13005	1.0
117.06979	1.3
119.08585	4.2
121.10135	9.1
121.26698	1.3
123.11745	3.5
131.08588	2.5
133.10141	4.8
135.11693	5.2
136.27437	1.1
145.10101	1.4
147.11681	3.3
149.13249	2.4
155.01015	3.6
157.30194	1.2
159.11681	2.2
161.13268	1.7
163.11124	1.3
167.16808	1.2
173.13277	1.8
261.03760	8.1
261.22153	3.8
287.05634	3.9
335.07376	3.6
335.25809	100.0
614.46490	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
57.03421	0.2
61.02935	0.2
69.03426	0.4
70.06583	0.7
71.04990	0.4
71.54573	0.3
72.08135	0.4
82.22839	0.2
84.08147	0.9
84.10964	0.2
85.02912	1.2
86.09703	0.3
91.05466	0.3
97.02891	0.6
97.06512	0.2
99.04448	0.2
109.02869	0.2
119.04986	0.2
119.08566	0.2
121.02838	0.2
121.10181	0.2
123.00826	0.3
123.04395	0.2
124.01601	0.3
127.03911	0.6
128.06232	0.3
129.07011	0.7
134.03638	1.2
137.02264	0.2
139.05429	0.3
140.06996	0.2
141.07001	0.2
147.04417	0.6
148.04730	0.2
152.01060	5.7
152.02249	0.4
153.01846	3.6
157.06479	0.5
167.04941	0.4
170.02138	1.9
173.05965	0.2
175.03920	0.6
177.05490	0.4
184.05217	0.5
185.05962	1.9
195.04366	0.2
201.05382	0.2
202.06305	0.7
212.04715	0.7
213.05479	1.2
223.04068	0.3
227.07066	0.5
229.04942	1.4
230.05731	2.2
240.04060	0.3
241.04973	6.2
245.08122	2.3
255.06538	0.6
258.05231	0.6
269.04465	4.7
269.07196	0.3
273.07574	0.3
285.01123	0.2
285.03903	1.2
286.04736	12.5
287.05502	5.4
287.08078	0.2
301.07080	100.0
302.07501	1.4
433.32907	0.3
463.12439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
57.03419	0.6
67.01871	0.3
68.99783	0.3
70.88983	0.5
70.89356	0.4
71.04997	3.3
85.02910	4.6
88.32212	0.2
104.17213	0.2
129.05487	0.9
135.04408	1.0
137.02362	0.3
139.91776	0.2
147.06548	0.2
153.01837	3.2
161.02359	0.6
171.02872	0.3
241.04939	0.6
287.05505	100.0
288.05844	1.3
322.00922	0.2
352.38010	0.2
449.10809	13.5
569.51642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03935	0.3
55.01867	0.3
57.03437	0.5
57.67854	0.2
63.00532	0.2
69.03424	0.8
69.66433	1.0
69.66850	0.5
70.06589	0.5
71.04996	4.1
72.08150	0.5
73.02937	0.3
81.03410	0.7
83.04964	0.3
84.08147	3.1
85.02909	5.7
93.03401	0.3
97.02872	1.0
98.46884	0.2
99.04439	0.3
105.07043	0.3
109.02883	0.5
111.04450	0.3
121.02869	1.7
123.04464	0.4
127.03909	0.8
129.05476	0.7
130.08585	0.2
137.02333	4.2
138.05545	0.3
147.04428	0.6
149.02342	1.9
157.06454	0.4
163.03920	0.3
185.05963	1.4
197.06026	0.3
203.07024	0.5
213.05499	3.3
231.06526	1.3
241.04980	1.7
258.05264	0.6
269.04510	0.6
286.04852	0.3
287.05508	100.0
288.05798	1.5
301.07187	0.6
350.76700	0.2
358.12637	0.2
371.59668	0.2
397.30438	0.5
415.31702	0.5
433.32669	0.9
449.10925	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	595.1659
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
53.03934	0.3
55.01878	0.5
57.03440	1.9
61.02908	0.6
65.04292	0.2
68.99785	0.4
69.03429	2.5
69.07056	0.2
69.22050	2.5
70.06570	0.6
71.01339	0.3
71.04997	9.2
72.08138	0.3
73.02908	0.5
75.04478	0.4
79.05482	0.3
81.03397	1.0
83.04966	0.9
84.04537	0.2
84.08113	0.2
85.02910	13.4
87.04449	1.0
90.05536	0.6
91.05438	0.4
92.05727	0.2
93.07037	0.3
95.04986	0.3
97.02905	2.3
98.02392	0.3
99.04436	0.7
107.04916	0.2
109.02885	1.2
111.00783	0.5
111.04406	0.7
115.03889	0.7
121.02882	1.7
124.07578	0.4
127.03931	2.5
129.05499	3.2
133.02846	0.3
133.04939	0.4
134.03609	0.8
135.04385	0.3
137.02306	0.7
142.08559	0.3
145.04968	1.0
145.06458	0.3
147.04390	0.7
147.06485	0.5
149.02342	0.4
153.01834	5.1
157.06419	0.4
165.01810	1.1
167.07121	0.3
171.04501	0.3
181.04927	0.2
183.02879	0.7
184.09642	0.3
185.05939	0.3
197.06006	0.3
202.10791	1.4
203.11206	0.3
213.05447	1.7
220.11790	0.3
221.08115	0.5
229.04929	1.0
230.05704	0.5
231.06485	0.4
234.09534	0.3
241.04987	3.5
245.08229	0.4
258.05255	1.2
259.06113	0.3
269.04434	4.0
286.04739	4.8
287.05502	100.0
288.05817	1.6
301.07074	39.5
302.07578	0.4
328.13831	0.6
329.14233	0.3
343.08279	0.4
346.14877	0.3
364.16028	0.8
365.16296	0.4
449.10934	2.1
463.12415	2.2
543.37299	0.2
583.85162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
53.72628	0.1
54.36906	0.1
55.01868	0.2
55.05493	0.1
57.03422	0.6
57.38982	0.1
57.77182	0.1
67.05490	0.3
68.99796	0.3
69.03433	1.9
69.22221	0.4
69.22639	1.0
70.06580	0.4
72.08141	0.3
76.02221	0.2
79.05495	0.1
81.03438	0.2
81.07044	0.4
84.04499	0.1
85.02912	1.4
87.04446	0.7
89.99339	0.2
91.05457	0.3
95.04951	0.1
97.02885	1.3
99.04482	0.2
101.73119	0.1
105.07007	0.1
107.04923	0.1
109.02872	0.2
115.03920	1.0
116.07118	0.1
119.08533	0.2
121.06474	0.2
121.10143	0.1
123.00783	0.5
123.04440	0.2
124.01534	0.1
127.03928	0.7
131.04926	0.3
133.04968	0.8
134.03636	1.6
135.04459	0.1
137.05954	0.2
147.04350	0.3
149.02351	0.9
152.01060	0.5
153.01831	5.1
157.02925	0.3
157.06488	0.1
161.02339	0.2
163.03914	0.2
170.02045	0.3
175.03902	0.2
179.04919	0.2
182.92603	0.1
185.05978	0.3
197.05913	0.3
199.03905	0.4
201.05463	0.2
202.06219	0.3
213.05449	1.6
229.04968	2.5
230.05746	1.8
241.04955	7.2
245.08107	1.2
257.04550	0.2
258.05182	0.7
268.03818	0.2
269.04453	7.4
269.17410	0.2
273.07626	0.4
283.06049	0.3
285.03928	0.7
285.06787	0.2
286.04724	12.2
287.05481	3.2
299.09082	0.5
300.09488	0.4
301.07062	100.0
302.07388	1.0
313.07220	0.3
343.08139	0.5
397.08868	0.2
433.11536	0.3
447.21698	0.1
448.21893	0.6
449.10983	0.2
463.12350	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	593.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01863	5.9
55.05524	9.4
57.03432	4.6
57.07071	2.5
65.03948	1.7
67.05228	1.7
67.05513	17.8
68.99786	3.3
69.03424	13.8
69.07073	23.4
70.04752	7.3
70.06592	11.9
71.04986	5.1
72.08144	5.4
73.02939	1.8
79.05511	8.5
81.03432	14.6
81.07062	47.4
82.07387	2.1
83.04983	3.1
83.08616	10.0
84.08139	2.4
85.02903	23.6
85.06546	17.1
87.00841	9.7
91.05482	7.1
93.07058	18.0
95.04952	5.8
95.08058	2.5
95.08616	35.1
97.02902	15.7
97.06523	5.1
97.10143	4.0
99.04454	5.0
99.08073	4.9
105.01861	4.2
105.07020	9.7
107.04894	1.9
107.08602	16.8
109.02898	8.8
109.06502	2.5
109.10166	21.5
111.04438	3.1
111.08084	14.9
111.11705	5.5
113.09666	1.7
115.07584	1.6
116.07117	2.1
117.07008	2.9
119.04964	2.3
119.08577	6.3
120.08124	2.7
121.02891	2.3
121.10126	11.2
123.11706	17.6
125.09615	4.4
125.13287	2.6
127.03921	13.6
127.11229	2.3
129.06996	1.6
131.04932	2.2
131.08582	3.0
133.04982	1.8
133.10121	6.7
135.11725	8.8
137.06006	3.0
137.13252	10.7
139.11185	5.5
145.04990	4.6
145.10132	3.3
147.04417	5.2
147.11676	4.9
148.07587	1.6
149.13251	11.4
151.03937	2.0
151.14902	1.6
153.12738	3.0
155.14127	1.7
157.10123	1.8
159.02864	2.7
159.11687	3.0
161.05991	1.8
161.13213	3.3
163.14873	5.8
165.09111	1.9
167.07056	3.3
167.14288	2.3
173.09584	1.6
175.11160	2.0
175.14902	2.0
177.05511	4.0
177.16412	2.4
179.14171	1.7
182.15428	1.5
191.06985	2.6
213.05528	2.5
213.08829	2.0
214.14691	3.3
229.08339	2.0
231.05005	3.1
241.04962	16.7
269.04471	15.0
270.05142	3.2
273.25711	3.5
284.06812	2.9
285.07559	23.7
291.26840	11.1
299.05576	100.0
299.09073	15.1
300.05801	5.5
309.27863	33.4
327.29028	1.8
357.25299	2.0
399.29044	2.3
461.10654	6.1
533.65320	1.9
575.22870	2.3
593.24518	1.9
593.34125	9.5
593.44781	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	593.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07580	9.1
55.01854	13.3
55.05502	36.4
57.03417	18.6
57.07071	10.6
67.05509	58.1
69.03433	39.5
69.07061	37.0
70.06596	17.1
70.46017	35.1
71.05004	17.9
72.08155	25.9
79.05485	27.6
81.03410	49.5
81.07049	100.0
83.04978	21.7
83.08592	24.4
85.02912	54.0
86.09690	12.3
87.00841	20.8
91.05486	40.0
93.07044	48.3
95.08613	73.4
97.02895	71.2
97.06551	14.7
97.10160	17.0
98.21513	12.8
105.01867	31.0
105.07059	38.3
107.08611	31.3
109.02888	26.9
109.10168	48.1
111.08089	18.1
111.11705	12.0
114.08047	9.9
117.07066	13.4
119.08614	25.9
121.10139	35.3
123.08083	15.2
123.11735	30.6
125.09653	12.0
127.03948	34.8
131.08640	14.2
133.10127	20.2
135.04417	17.6
135.11688	26.6
136.06239	15.5
137.05957	13.5
145.02873	12.2
147.04390	35.4
147.11691	29.1
149.05968	11.1
149.13293	23.5
159.11722	16.9
167.05663	11.6
167.07057	14.2
175.11044	15.6
177.05511	18.5
187.07552	12.0
191.10538	13.9
231.05034	11.6
252.64275	9.9
281.68726	11.3
284.06781	12.2
287.05450	12.6
299.09119	36.6
309.27948	17.4
315.05014	28.0
345.09827	80.4
396.10681	13.2
468.94592	10.5
503.53070	13.7
593.23907	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	593.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07580	9.1
55.01854	13.3
55.05502	36.4
57.03417	18.6
57.07071	10.6
67.05509	58.1
69.03433	39.5
69.07061	37.0
70.06596	17.1
70.46017	35.1
71.05004	17.9
72.08155	25.9
79.05485	27.6
81.03410	49.5
81.07049	100.0
83.04978	21.7
83.08592	24.4
85.02912	54.0
86.09690	12.3
87.00841	20.8
91.05486	40.0
93.07044	48.3
95.08613	73.4
97.02895	71.2
97.06551	14.7
97.10160	17.0
98.21513	12.8
105.01867	31.0
105.07059	38.3
107.08611	31.3
109.02888	26.9
109.10168	48.1
111.08089	18.1
111.11705	12.0
114.08047	9.9
117.07066	13.4
119.08614	25.9
121.10139	35.3
123.08083	15.2
123.11735	30.6
125.09653	12.0
127.03948	34.8
131.08640	14.2
133.10127	20.2
135.04417	17.6
135.11688	26.6
136.06239	15.5
137.05957	13.5
145.02873	12.2
147.04390	35.4
147.11691	29.1
149.05968	11.1
149.13293	23.5
159.11722	16.9
167.05663	11.6
167.07057	14.2
175.11044	15.6
177.05511	18.5
187.07552	12.0
191.10538	13.9
231.05034	11.6
252.64275	9.9
281.68726	11.3
284.06781	12.2
287.05450	12.6
299.09119	36.6
309.27948	17.4
315.05014	28.0
345.09827	80.4
396.10681	13.2
468.94592	10.5
503.53070	13.7
593.23907	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	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02298	0.3
71.02820	0.4
71.03165	0.6
130.54085	0.3
174.61066	0.3
387.16409	0.6
388.17001	0.8
389.17862	0.9
391.19626	0.4
392.86823	0.3
402.18509	1.2
403.19193	2.9
404.20059	0.9
405.20776	1.7
415.19464	0.5
416.20139	1.0
417.16589	1.3
417.21469	3.9
418.21725	2.4
419.22437	3.4
430.17557	0.9
431.18216	8.8
432.18665	2.3
433.19171	0.6
433.24054	7.7
434.24637	1.1
445.19916	9.9
446.20813	4.1
447.21677	4.7
449.23553	0.5
458.20807	0.4
459.21475	3.9
460.22614	12.7
461.23325	12.9
462.24445	0.6
463.21396	0.4
473.23590	2.6
474.24512	0.7
476.25909	1.7
477.22672	0.8
487.24744	1.3
489.27090	0.6
491.24521	1.0
492.25186	1.3
505.21759	4.8
515.24457	0.4
518.23914	0.6
519.24036	0.7
533.25494	47.6
534.26086	1.6
564.23987	0.6
565.28278	1.5
568.85980	0.4
575.26398	0.6
593.27582	100.0
594.27911	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.8
55.01862	7.9
55.05515	26.1
55.37982	5.1
57.03445	10.1
57.07080	7.9
67.05511	52.5
69.03431	29.3
69.07062	45.6
70.06590	17.8
71.04990	10.9
71.08610	7.7
71.60146	5.8
72.08145	14.0
79.05505	31.9
81.03417	29.8
81.07063	100.0
83.04980	15.9
83.08625	16.4
85.02909	42.7
87.00837	9.4
91.04989	6.8
91.05424	32.0
93.07050	47.5
95.04977	17.1
95.08611	74.7
97.02889	44.9
97.06528	23.4
97.10149	15.3
99.04498	7.9
105.01871	10.4
105.07047	46.4
107.05035	10.5
107.08607	41.0
109.02908	17.4
109.06550	11.0
109.10163	38.7
111.04439	9.7
117.07045	11.1
119.04949	13.7
119.08612	28.4
120.08121	6.3
121.06495	11.3
121.10104	34.8
121.28665	6.4
123.08037	6.6
123.11709	19.4
127.03876	35.3
128.09753	5.6
131.08530	17.0
133.10147	34.2
135.11723	21.6
136.06142	11.4
137.13249	11.9
143.08569	7.0
145.04861	6.5
145.10121	16.4
147.04431	24.4
147.11693	24.3
149.09644	9.4
149.13264	16.3
151.11183	7.9
153.05478	16.7
157.10094	8.7
159.11696	12.9
159.69530	5.9
161.00546	5.7
163.03934	11.9
163.14819	6.8
165.09186	8.1
173.13249	6.4
187.07466	5.7
193.12206	6.3
201.86127	6.2
210.40820	5.9
273.25809	11.6
275.20062	18.2
291.26874	15.3
299.09174	18.1
309.27899	16.2
349.23779	14.3
366.66193	5.8
375.53967	7.5
420.56888	6.0
593.36835	9.2
609.39832	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	593.1866
Annotation	Afromosin 7-O-(2''-apiosylglucoside)
Peak:m/z	Relative Intensity
53.48940	0.1
57.07092	0.1
63.55626	0.1
67.05506	0.1
68.99799	0.1
69.03416	0.2
69.27213	0.7
69.27638	0.3
70.06582	0.3
79.05488	0.2
81.07037	0.4
81.07455	0.1
83.08615	0.1
85.02897	0.2
85.90073	0.1
91.05521	0.1
93.07003	0.1
95.08589	0.4
95.61509	0.1
97.02893	0.1
98.21471	0.2
105.07047	0.1
107.08585	0.1
109.02946	0.1
109.10172	0.2
115.53732	0.1
119.04907	0.1
121.10146	0.1
123.00776	0.2
124.01575	0.1
127.03854	0.2
132.05714	0.5
133.06485	0.4
135.04414	0.3
135.11717	0.1
137.05962	0.6
138.03166	0.1
139.03918	0.2
147.04486	0.1
151.00272	0.1
163.03888	0.3
166.02606	0.3
167.03419	0.3
168.05705	0.4
169.01260	0.1
176.04755	0.1
181.06520	0.1
182.07294	0.5
183.08069	1.1
184.03685	2.0
185.05981	0.3
196.05183	0.5
196.25856	0.1
197.06001	0.5
200.08377	0.1
209.01521	0.1
210.06734	0.4
211.07545	1.6
213.05441	0.5
224.04727	0.2
225.05402	0.3
227.07042	1.0
228.07791	0.9
239.07030	3.0
240.07755	0.2
241.04956	0.9
243.10188	3.7
252.04128	0.3
253.05075	0.2
253.08557	0.1
255.06578	0.6
256.07321	6.0
267.06564	0.8
268.07199	0.2
269.04541	0.2
283.06000	1.5
284.06796	15.5
285.07031	0.2
299.09137	100.0
300.09467	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	0.3
69.03432	0.2
70.06589	0.3
71.10542	0.4
79.05476	0.3
81.07041	0.5
85.02904	0.4
91.05473	0.3
93.07039	0.2
95.08601	0.5
97.02854	0.3
107.08589	0.2
109.10159	0.4
121.10123	0.3
123.11716	0.2
132.05727	0.5
133.06502	0.3
135.04366	0.3
135.11667	0.2
137.05986	0.6
138.03093	0.3
153.06783	0.2
166.02632	0.4
167.03372	0.5
168.05669	0.4
169.87866	0.2
176.04694	0.2
182.07301	0.5
183.08015	0.9
184.03688	1.8
185.05937	0.3
196.05190	0.6
197.05960	0.5
210.06793	0.5
211.07564	1.6
213.05449	0.6
224.04677	0.3
227.07005	1.2
228.07788	0.5
239.06984	2.5
240.07935	0.2
241.05022	1.0
243.10191	3.7
252.04118	0.2
255.06607	0.6
256.07297	5.8
267.06595	1.0
269.04480	0.2
278.21887	0.2
283.06091	1.3
284.06799	14.9
285.07193	0.4
299.09143	100.0
300.09412	1.5
329.68991	0.2
425.05576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76156	0.1
55.05495	0.1
59.44420	0.1
59.71461	0.1
63.47600	0.1
67.05473	0.1
69.03410	0.4
69.07043	0.3
70.06590	0.2
70.69415	0.2
79.05482	0.3
81.03377	0.1
81.07057	0.6
85.02880	0.3
85.06531	0.2
91.05488	0.2
93.07043	0.3
94.74244	0.1
95.08585	0.5
97.02859	0.4
105.06998	0.4
109.10162	0.3
115.03976	0.1
119.04895	0.2
121.10151	0.3
123.00809	0.2
123.11714	0.2
127.03903	0.2
131.04852	0.2
132.05695	0.3
133.06490	0.4
133.10118	0.1
134.07263	0.3
135.04456	0.2
137.02310	0.4
137.05951	0.1
147.04405	0.2
148.05170	0.2
149.13309	0.1
151.00240	0.3
152.01031	1.3
152.06218	0.1
153.01814	0.3
155.08548	0.2
157.06299	0.1
160.99973	0.1
161.05971	1.1
168.05705	0.3
169.01392	0.2
170.02057	0.4
171.04494	0.1
182.07237	0.2
183.06526	0.1
183.08008	0.6
185.05998	0.2
186.11581	0.2
196.05304	0.3
197.05991	0.2
200.08289	0.1
209.99118	0.1
210.06760	0.4
211.07550	0.9
213.05479	0.5
214.14609	0.3
217.04677	0.1
224.04922	0.1
227.07010	0.3
228.07741	0.2
238.06221	0.2
239.07059	2.2
241.04982	0.9
241.23924	0.1
243.10156	1.1
252.04094	0.3
253.05016	0.7
255.06505	0.6
256.07324	2.5
269.04425	0.9
271.10010	0.1
283.06027	0.2
284.06793	44.7
285.07181	0.9
291.26749	0.1
299.09137	100.0
300.09488	1.4
309.27649	0.2
345.09653	0.4
357.25378	0.4
461.14334	0.3
593.34308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2755
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.04837	0.3
53.06413	0.3
71.20883	0.8
140.46587	0.3
222.84851	0.3
233.93011	0.3
240.83368	0.4
244.56377	0.4
389.17770	1.2
401.17868	0.5
402.18542	0.8
403.19174	2.3
404.20425	1.0
404.33804	0.4
405.20718	1.4
416.20404	0.7
417.16766	1.2
417.21640	3.0
418.21555	1.2
419.22336	3.7
420.23508	0.4
429.16794	0.5
430.18048	1.0
431.18338	7.1
432.18668	2.2
433.24258	6.0
434.24753	1.0
445.19913	7.6
446.20880	4.3
447.21802	4.5
449.23334	0.6
459.21646	3.3
460.22562	9.3
461.23172	6.9
463.21307	0.8
473.24072	1.9
476.25980	0.6
477.22504	0.8
487.25134	0.5
489.26981	0.5
491.24493	0.8
492.25122	1.4
505.22055	5.6
518.23053	0.6
519.23956	0.7
533.25513	23.1
534.25690	0.8
564.23541	0.8
565.28198	0.6
578.25085	0.4
593.27594	100.0
594.27869	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	591.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01871	7.4
55.05508	20.6
57.03435	8.1
57.07079	6.5
61.02953	2.8
62.97419	2.1
67.05508	52.2
68.39614	2.2
68.99809	2.6
69.03432	26.6
69.07065	39.7
69.23316	24.3
70.06585	23.3
71.04990	8.4
71.08646	5.5
72.08139	7.4
73.02929	4.3
79.05501	29.8
81.03423	22.5
81.07057	100.0
83.04961	6.3
83.08616	13.5
84.08152	5.7
85.02904	49.5
85.06554	8.3
86.09702	2.7
87.00828	19.3
89.06035	7.4
91.05491	32.3
93.07050	59.9
95.04965	14.1
95.08607	99.8
97.02901	22.0
97.06545	8.0
97.10166	12.1
99.04453	10.2
99.08130	3.3
105.01875	14.3
105.07031	40.0
107.04945	3.7
107.08596	47.8
109.02888	18.8
109.06546	5.3
109.10161	72.6
111.04464	3.2
111.08107	4.2
111.11710	5.5
113.09705	2.7
115.03943	2.8
116.07103	10.6
117.07042	9.2
119.08585	33.8
121.06528	3.3
121.10143	36.1
123.08118	4.5
123.11713	31.8
125.09653	2.9
127.03912	29.8
127.11226	3.8
131.08588	13.0
131.62358	2.3
133.08598	3.5
133.10132	25.3
135.08009	2.6
135.11708	41.4
137.06033	3.6
137.09645	5.8
137.13235	16.8
139.11182	4.1
143.08548	3.8
145.02921	2.8
145.04985	6.7
145.10162	16.8
147.04422	6.4
147.11696	19.0
149.13257	19.0
151.11172	3.1
151.14821	3.7
153.12758	4.8
157.10143	3.9
159.02896	5.4
159.11690	12.8
161.13245	11.2
161.89360	2.5
163.03906	3.9
163.11160	6.1
163.14813	12.5
165.12779	4.6
167.07053	5.7
173.13289	8.1
175.14786	12.3
177.05463	3.4
177.16412	11.6
179.14427	3.9
181.12245	3.5
187.14810	5.9
189.16415	10.2
191.17932	2.9
201.16476	5.5
203.17970	3.5
215.18001	6.7
231.05019	5.0
245.22768	4.8
271.24326	14.2
277.25348	5.8
289.25296	23.6
307.26303	21.2
325.27335	9.8
334.29681	2.4
501.28101	3.4
591.26257	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	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01894	1.4
55.05519	14.8
57.03446	13.1
57.07080	40.1
64.19166	1.3
65.03931	2.7
67.05510	59.1
69.07074	16.6
69.90092	7.7
71.08633	26.9
77.09547	1.3
79.05504	28.1
81.07065	70.3
83.08624	14.8
85.06517	2.4
85.10191	12.6
87.75876	1.3
89.06089	1.3
91.05488	16.8
93.06480	2.7
93.07050	45.9
95.04969	2.3
95.08612	61.1
97.06499	1.8
97.10159	7.1
98.21423	2.0
99.08099	1.7
100.25592	1.2
103.70765	1.2
105.07056	14.1
107.08603	26.2
107.30045	1.3
109.10168	28.3
111.08028	1.6
111.11737	1.6
117.07014	5.9
119.08585	12.1
121.10153	18.9
123.11723	12.6
131.08595	11.2
131.96521	1.6
133.10155	14.0
135.11717	18.8
137.13232	5.7
138.64099	1.3
145.10126	9.5
147.11699	9.8
149.13287	8.7
159.11772	8.3
161.13225	7.5
163.14864	6.5
166.42863	1.4
172.78223	1.5
173.13280	9.7
175.14799	3.4
187.14813	4.4
201.16289	2.0
233.22630	2.9
239.23682	4.5
243.21115	13.0
257.24622	2.0
261.22168	68.6
279.23132	3.1
313.27380	100.0
317.24765	13.7
335.25797	64.4
391.81384	1.5
461.33710	1.4
573.48761	20.4
591.50146	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	591.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	2.7
53.03930	8.7
55.01857	5.0
55.05515	18.8
57.03427	6.2
57.07067	8.6
58.55394	2.0
59.04979	3.7
61.02932	5.4
62.44039	2.5
65.03942	5.5
67.05170	3.2
67.05506	46.0
68.99782	2.5
69.03131	2.3
69.03439	24.2
69.07072	31.2
70.06592	29.5
71.04978	7.9
71.08630	2.3
71.55415	2.4
71.55798	2.2
72.08137	8.8
73.02891	2.9
79.05492	33.3
81.03416	18.1
81.07056	100.0
83.04973	6.1
83.08630	14.4
84.08134	4.7
85.02428	3.2
85.02906	40.3
85.06538	11.3
87.00833	17.4
89.06011	8.6
90.54397	2.0
91.05486	30.7
93.07046	50.2
95.04978	10.5
95.08607	91.0
97.02898	25.7
97.06509	9.6
97.10163	9.2
98.09684	4.9
99.04450	10.0
99.08069	5.1
105.01854	13.7
105.07031	34.3
107.04965	3.5
107.08606	42.4
107.12223	2.2
107.34142	2.0
109.02880	18.7
109.06504	6.7
109.10161	69.5
111.08082	6.4
111.11709	4.3
115.07548	3.1
116.07088	10.0
117.07002	5.2
119.04912	4.4
119.08573	39.4
121.10145	39.9
123.04383	2.9
123.08083	6.4
123.11715	28.9
125.01170	2.0
125.09628	4.1
127.03922	29.1
129.06972	3.3
131.08595	14.1
133.01784	2.2
133.08640	4.8
133.10139	31.3
135.11707	36.2
137.05922	2.6
137.09581	4.3
137.13257	13.0
139.11195	4.3
143.08487	2.6
145.04964	7.3
145.10127	16.4
147.04414	11.6
147.11676	19.7
149.13255	23.7
151.11208	3.7
151.14827	3.5
152.07085	2.5
153.05412	3.5
153.12741	2.9
157.10101	3.6
158.63359	2.7
159.02939	5.0
159.07925	3.6
159.11757	11.0
159.12859	2.4
161.05888	2.6
161.13239	9.7
163.03920	6.2
163.11137	4.1
163.14833	12.2
165.12704	4.2
167.07022	2.2
171.11711	4.5
173.13249	7.5
175.07527	2.4
175.14835	14.5
177.05496	3.8
177.16350	7.7
179.14377	2.9
181.12161	4.8
185.09732	2.4
187.14822	5.0
189.16321	8.2
191.17943	4.9
201.16351	3.8
207.17451	3.4
215.17969	6.5
231.04895	2.8
231.21156	2.8
245.22769	3.1
259.24194	2.7
271.24255	16.5
277.25153	4.6
289.25247	21.6
307.26376	20.0
315.13419	2.9
325.27304	9.7
337.13977	3.1
355.15292	3.8
397.27780	2.5
501.29132	2.9
591.25677	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	591.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14182	4.2
53.03938	8.9
54.96402	3.8
55.01866	7.2
55.05503	16.7
57.03421	4.4
57.07064	8.3
59.13297	4.5
61.02920	8.4
67.05505	41.4
68.99769	4.7
69.03432	36.0
69.07079	48.7
69.31344	11.2
69.31764	30.4
70.06601	30.4
71.04990	9.1
72.08152	10.2
79.05500	30.5
81.03419	25.9
81.07060	100.0
83.08615	13.8
84.08115	5.9
84.60415	4.2
85.02915	52.4
85.06539	5.6
86.09666	5.2
87.00819	23.2
91.05486	34.4
93.07037	52.6
95.04980	13.2
95.08614	100.0
97.02917	26.1
97.06521	5.7
97.10165	9.8
98.21516	8.3
99.04460	9.4
105.01881	23.4
105.07055	31.8
107.04946	5.9
107.08595	44.3
109.02879	22.6
109.10155	67.4
111.08084	7.3
111.11727	10.0
117.07003	6.2
119.08608	32.0
121.06506	4.4
121.10130	31.1
123.11697	26.6
125.09666	4.4
127.03929	44.3
131.08611	10.3
133.10143	22.0
135.11719	32.1
137.05983	6.8
137.13245	7.8
145.04988	7.4
145.10149	13.3
147.04356	4.4
147.11688	22.7
149.13263	22.4
151.07521	5.4
151.11166	6.0
153.05457	10.2
159.02916	6.9
159.11674	13.9
161.13263	12.7
163.14815	17.5
173.13295	9.3
175.14790	12.7
177.05463	5.9
177.16359	10.1
185.13232	5.5
187.14819	5.2
189.16338	12.0
200.17021	4.7
201.16408	7.4
203.17772	5.8
215.17960	10.5
229.21951	5.0
231.04904	8.3
268.34674	5.2
271.24146	21.6
272.87885	4.7
289.25357	26.3
307.26294	15.4
329.14294	7.4
383.17920	4.1
459.35565	4.9
462.33746	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55322	2.9
53.03943	10.4
55.01867	8.2
55.05520	19.6
57.03442	7.6
57.07065	6.7
61.02919	3.6
64.89940	3.1
65.03971	3.1
67.05509	36.1
68.99801	4.5
69.03439	29.5
69.07072	93.6
70.06605	14.1
70.57979	9.2
71.05010	5.9
72.08141	4.7
73.02928	4.9
78.88872	2.6
79.05504	32.6
81.03428	28.2
81.07063	100.0
83.04974	7.3
83.08619	10.2
84.08139	4.6
85.02908	54.0
85.06561	14.9
87.00830	23.2
91.05497	18.0
93.07048	56.1
95.04971	5.6
95.08050	6.0
95.08609	76.3
97.02902	24.1
97.06535	10.3
97.10159	7.5
99.04467	12.2
99.08089	8.3
105.01869	13.8
105.07021	20.4
107.04926	3.4
107.08603	44.6
109.02898	19.2
109.06541	3.4
109.10162	50.9
110.50297	3.3
111.08086	5.6
111.11734	23.1
117.07041	3.2
119.04917	3.1
119.08597	21.2
121.10143	35.1
123.11713	29.3
125.09557	3.8
127.03928	33.8
131.08580	7.4
133.10146	19.2
135.11719	55.8
137.06013	4.5
137.09627	7.7
137.13237	9.9
139.11180	26.0
143.08591	5.4
145.04985	11.9
145.10132	14.1
147.04466	4.0
147.11707	17.3
149.09668	4.0
149.13278	21.4
151.14796	5.6
153.12733	30.0
153.72342	3.6
157.12254	4.7
159.02928	10.9
159.11703	17.9
161.13278	12.4
163.03914	7.1
163.14775	9.3
167.14328	4.5
173.13295	6.4
175.14789	7.2
177.16383	8.5
187.14815	6.0
189.16504	6.0
195.17369	4.0
213.18584	9.0
226.09911	3.1
231.05101	5.5
231.21240	4.3
263.23630	4.0
271.24228	14.9
277.25378	8.3
289.25327	24.0
295.26300	28.5
305.13113	2.7
307.26260	41.1
311.28311	2.7
325.27454	38.2
355.15723	4.9
519.29199	3.7
600.09302	3.2
END